smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc2ccc3cccnc3c2n1 ZINC001164639308 719173948 /nfs/dbraw/zinc/17/39/48/719173948.db2.gz RMAVXRKXBGVJJI-ZIAGYGMSSA-N 1 0 306.413 3.312 20 5 DGBDRO Cc1nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001165048743 721965367 /nfs/dbraw/zinc/96/53/67/721965367.db2.gz YXFVDIGSNRYRNP-OAHLLOKOSA-N 1 0 318.421 3.143 20 5 DGBDRO C[NH2+]Cc1cn(-c2ncc([N+](=O)[O-])cc2C)c2ccc(C)cc12 ZINC001167120920 1081720647 /nfs/dbraw/zinc/72/06/47/1081720647.db2.gz DPMLDXVUMIRUIH-UHFFFAOYSA-N 1 0 310.357 3.270 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001658290015 1082074605 /nfs/dbraw/zinc/07/46/05/1082074605.db2.gz JKKPSIAOQDNOCB-CYBMUJFWSA-N 1 0 308.378 3.320 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccncc2C)c([N+](=O)[O-])c1 ZINC001170298572 1082338552 /nfs/dbraw/zinc/33/85/52/1082338552.db2.gz MNGTUONZUPQMMR-ZDUSSCGKSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]C2CC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC001170322905 1082346646 /nfs/dbraw/zinc/34/66/46/1082346646.db2.gz IJPYXHRXFSEYNS-LBPRGKRZSA-N 1 0 304.390 3.457 20 5 DGBDRO COc1ccc(C[C@H]2CC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001167633310 1082627068 /nfs/dbraw/zinc/62/70/68/1082627068.db2.gz DKMOXDYFADULMP-MRXNPFEDSA-N 1 0 312.369 3.420 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C[C@@H]2F)c(Cl)cc1Cl ZINC001217944342 1082959945 /nfs/dbraw/zinc/95/99/45/1082959945.db2.gz HKVKFZYVBUBBDK-GXSJLCMTSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@H]1C[C@H](C)C[NH+](CCNC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001170649457 1083045923 /nfs/dbraw/zinc/04/59/23/1083045923.db2.gz DGVSAVYUMCPIBS-GJZGRUSLSA-N 1 0 319.449 3.397 20 5 DGBDRO C[C@@H]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C[NH2+]1 ZINC001218402784 1083173120 /nfs/dbraw/zinc/17/31/20/1083173120.db2.gz WEPKYFYZVHQDED-HTQZYQBOSA-N 1 0 305.161 3.421 20 5 DGBDRO CCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000689904919 1083452776 /nfs/dbraw/zinc/45/27/76/1083452776.db2.gz TYUHYISXDCSXCX-UHFFFAOYSA-N 1 0 300.786 3.231 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC001181672246 1083513259 /nfs/dbraw/zinc/51/32/59/1083513259.db2.gz GXSLJGROLHELCM-HOCLYGCPSA-N 1 0 317.433 3.270 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001167753873 1083632297 /nfs/dbraw/zinc/63/22/97/1083632297.db2.gz SIGZRCAJQWEUOF-LBPRGKRZSA-N 1 0 317.393 3.148 20 5 DGBDRO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001167778213 1083795999 /nfs/dbraw/zinc/79/59/99/1083795999.db2.gz BZBCGHINUJCAHV-ILXRZTDVSA-N 1 0 318.421 3.302 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001187140248 1084762976 /nfs/dbraw/zinc/76/29/76/1084762976.db2.gz JZDOFOIQFZHPRW-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO CCC1([NH+]2CCCC2)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001187257315 1084784248 /nfs/dbraw/zinc/78/42/48/1084784248.db2.gz ZZNJHEDHFTUSEP-UHFFFAOYSA-N 1 0 303.406 3.440 20 5 DGBDRO O=[N+]([O-])c1cc(OC2CC[NH+](C3CC3)CC2)c(Cl)cc1F ZINC001226196366 1085989891 /nfs/dbraw/zinc/98/98/91/1085989891.db2.gz PWUWHNPXHCVTPP-UHFFFAOYSA-N 1 0 314.744 3.393 20 5 DGBDRO NC(=[NH2+])N(c1ccc(F)cc1)c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001167991353 1086054620 /nfs/dbraw/zinc/05/46/20/1086054620.db2.gz FYBLOIVHWLEYTQ-UHFFFAOYSA-N 1 0 313.292 3.247 20 5 DGBDRO Cc1c(N(C(N)=[NH2+])c2ccc(F)cc2)cc(F)cc1[N+](=O)[O-] ZINC001167993367 1086056802 /nfs/dbraw/zinc/05/68/02/1086056802.db2.gz WEYZEKRTVKJQJT-UHFFFAOYSA-N 1 0 306.272 3.213 20 5 DGBDRO [NH3+]C1(CC2CCC2)CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001161569686 1087136971 /nfs/dbraw/zinc/13/69/71/1087136971.db2.gz POXOPXOAPLEXMC-UHFFFAOYSA-N 1 0 324.812 3.131 20 5 DGBDRO C[C@H](OCC[N+](C)(C)C)c1cc(Br)ccc1F ZINC001224776594 1087447391 /nfs/dbraw/zinc/44/73/91/1087447391.db2.gz YBYTXMCQVUCMEE-JTQLQIEISA-N 1 0 305.211 3.372 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158264756 1087749480 /nfs/dbraw/zinc/74/94/80/1087749480.db2.gz CLOSHFMDPHZYAK-MLGOLLRUSA-N 1 0 306.410 3.254 20 5 DGBDRO C[C@@]1(C[NH3+])CCCN(c2ccc3ccc4cccnc4c3n2)C1 ZINC001158674936 1087969505 /nfs/dbraw/zinc/96/95/05/1087969505.db2.gz FVMVKUDOPATVNQ-IBGZPJMESA-N 1 0 306.413 3.348 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001158760863 1088014528 /nfs/dbraw/zinc/01/45/28/1088014528.db2.gz QODLUBXMWMRLJV-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO [NH3+]Cc1ccn(-c2nc3ccccc3c(Cl)c2[N+](=O)[O-])c1 ZINC001158763836 1088016130 /nfs/dbraw/zinc/01/61/30/1088016130.db2.gz ILDMRQINVLXICI-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO C[NH+]1CC(CNc2ccc3ccc4ccc(Cl)nc4c3n2)C1 ZINC001159218452 1088239723 /nfs/dbraw/zinc/23/97/23/1088239723.db2.gz OLXMVNMDDKMBDL-UHFFFAOYSA-N 1 0 312.804 3.410 20 5 DGBDRO Cc1cnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001159391415 1088333267 /nfs/dbraw/zinc/33/32/67/1088333267.db2.gz GVRJSHKFFBNLPM-UHFFFAOYSA-N 1 0 306.410 3.362 20 5 DGBDRO Cc1cc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC001159513692 1088376771 /nfs/dbraw/zinc/37/67/71/1088376771.db2.gz UIGWUULVHZKZOX-MRXNPFEDSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2ccc(OC3CC[NH2+]CC3)cc2)cc1 ZINC001159622739 1088423326 /nfs/dbraw/zinc/42/33/26/1088423326.db2.gz XPRIHWJZCFIISS-UHFFFAOYSA-N 1 0 313.357 3.469 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc3c(c2)C[NH2+]CCO3)c1F ZINC001159797440 1088491200 /nfs/dbraw/zinc/49/12/00/1088491200.db2.gz ZBPOYNQAQQUSRY-UHFFFAOYSA-N 1 0 321.283 3.099 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)c1F ZINC001159921567 1088551348 /nfs/dbraw/zinc/55/13/48/1088551348.db2.gz AADKYQGWRCVXCU-CYBMUJFWSA-N 1 0 317.320 3.218 20 5 DGBDRO Cc1ccc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001159924742 1088556150 /nfs/dbraw/zinc/55/61/50/1088556150.db2.gz XCFCOADDDHLQMS-INIZCTEOSA-N 1 0 313.357 3.388 20 5 DGBDRO O=[N+]([O-])c1ccccc1Nc1ccc(O[C@@H]2CC[NH2+]C2)c(F)c1 ZINC001160164299 1088681826 /nfs/dbraw/zinc/68/18/26/1088681826.db2.gz YJQWFSNNYAOHJN-GFCCVEGCSA-N 1 0 317.320 3.218 20 5 DGBDRO Cc1c(C)c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ncc1[N+](=O)[O-] ZINC001160472754 1088823509 /nfs/dbraw/zinc/82/35/09/1088823509.db2.gz MLTFHPQCQRUBOA-ZSOGYDGISA-N 1 0 304.394 3.034 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001155025984 1088902840 /nfs/dbraw/zinc/90/28/40/1088902840.db2.gz RGXYZNUOAVEFAR-OCCSQVGLSA-N 1 0 314.389 3.191 20 5 DGBDRO Cc1cc(Cl)nc(NCc2ccccc2C[NH3+])c1[N+](=O)[O-] ZINC001160906413 1089010429 /nfs/dbraw/zinc/01/04/29/1089010429.db2.gz XGWBEOATCXAUGU-UHFFFAOYSA-N 1 0 306.753 3.022 20 5 DGBDRO CCC(CC)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC001161098511 1089114395 /nfs/dbraw/zinc/11/43/95/1089114395.db2.gz MCBNJTFDXXOZEC-UHFFFAOYSA-N 1 0 310.373 3.194 20 5 DGBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001155550783 1089157383 /nfs/dbraw/zinc/15/73/83/1089157383.db2.gz VSFQTHKYDQDQCN-ZBFHGGJFSA-N 1 0 312.373 3.122 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(C[NH+](C)C)c2)n1 ZINC001156048155 1089365124 /nfs/dbraw/zinc/36/51/24/1089365124.db2.gz PDCICRRTJLGUIV-UHFFFAOYSA-N 1 0 314.389 3.280 20 5 DGBDRO C[NH+](C)CCCCNc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001161724925 1089371670 /nfs/dbraw/zinc/37/16/70/1089371670.db2.gz RBKOCYBAAHLKAY-UHFFFAOYSA-N 1 0 314.389 3.411 20 5 DGBDRO Cc1ccc(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)o1 ZINC001161768027 1089392445 /nfs/dbraw/zinc/39/24/45/1089392445.db2.gz BQJOLIOHITZGME-UHFFFAOYSA-N 1 0 319.361 3.049 20 5 DGBDRO C[NH+](C)C(C)(C)CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001161947411 1089486758 /nfs/dbraw/zinc/48/67/58/1089486758.db2.gz DXTXXXMMHHLOSK-UHFFFAOYSA-N 1 0 305.300 3.366 20 5 DGBDRO Cc1c(C)c(NCC2CC[NH+](C(C)C)CC2)ncc1[N+](=O)[O-] ZINC001156501396 1089550849 /nfs/dbraw/zinc/55/08/49/1089550849.db2.gz OPIVPDQQLVVEHR-UHFFFAOYSA-N 1 0 306.410 3.139 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC2CC[NH+](C(C)C)CC2)n1 ZINC001156501613 1089552432 /nfs/dbraw/zinc/55/24/32/1089552432.db2.gz YZXWDIUPHZMUDK-UHFFFAOYSA-N 1 0 306.410 3.139 20 5 DGBDRO C[N@@H+]1CCC[C@@](C)(Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001162340691 1089680479 /nfs/dbraw/zinc/68/04/79/1089680479.db2.gz UMAZGLVUNVHDBD-MRXNPFEDSA-N 1 0 300.362 3.039 20 5 DGBDRO C[N@@H+]1CCC[C@](C)(Nc2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001162341373 1089682931 /nfs/dbraw/zinc/68/29/31/1089682931.db2.gz LQQCBXKUBBEEMR-INIZCTEOSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[N@@H+]1CCCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001162437124 1089733594 /nfs/dbraw/zinc/73/35/94/1089733594.db2.gz HMSZUTAADNFEDX-UHFFFAOYSA-N 1 0 317.311 3.146 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001162456822 1089741120 /nfs/dbraw/zinc/74/11/20/1089741120.db2.gz ZBNKJXMHBRBBCD-JSGCOSHPSA-N 1 0 314.389 3.191 20 5 DGBDRO [NH3+][C@H]1CN(C(=O)c2c3ccccc3cc3ccccc32)C[C@H]1F ZINC001157560012 1090028524 /nfs/dbraw/zinc/02/85/24/1090028524.db2.gz OBDPIOVPKXYYRP-SJORKVTESA-N 1 0 308.356 3.114 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1NC1CC2(C1)CCC[NH2+]C2 ZINC001162981597 1090045176 /nfs/dbraw/zinc/04/51/76/1090045176.db2.gz CRAQPOVWFJDFNF-UHFFFAOYSA-N 1 0 312.373 3.087 20 5 DGBDRO [NH3+]CC[C@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])c2ccccc21 ZINC001157739132 1090091360 /nfs/dbraw/zinc/09/13/60/1090091360.db2.gz HGEZSJRIFXUCHT-JTQLQIEISA-N 1 0 318.764 3.227 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](CC[NH3+])c3ccccc32)n1 ZINC001157748373 1090097625 /nfs/dbraw/zinc/09/76/25/1090097625.db2.gz WMGFDZLPTIZLQA-ZDUSSCGKSA-N 1 0 312.373 3.191 20 5 DGBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001163367383 1090166700 /nfs/dbraw/zinc/16/67/00/1090166700.db2.gz YXAPGNQAVPCHPZ-RISCZKNCSA-N 1 0 306.410 3.137 20 5 DGBDRO Cc1cc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1Br ZINC001163782968 1090257532 /nfs/dbraw/zinc/25/75/32/1090257532.db2.gz VQSBSBQSIYTTCF-VIFPVBQESA-N 1 0 316.199 3.028 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001163942423 1090293001 /nfs/dbraw/zinc/29/30/01/1090293001.db2.gz XJZFADNVAVGOLS-CQSZACIVSA-N 1 0 304.394 3.199 20 5 DGBDRO Cn1c(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cc2ccccc21 ZINC001163946772 1090293775 /nfs/dbraw/zinc/29/37/75/1090293775.db2.gz OHVGSPSWIJTUGT-UHFFFAOYSA-N 1 0 322.368 3.302 20 5 DGBDRO Cc1cc(N2C[C@@H](C)CC[C@@H]2C[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001164070694 1090333666 /nfs/dbraw/zinc/33/36/66/1090333666.db2.gz OYBKZTSEXCEEGU-SMDDNHRTSA-N 1 0 314.389 3.015 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1NCc1ccc2nonc2c1 ZINC001164344359 1090406698 /nfs/dbraw/zinc/40/66/98/1090406698.db2.gz TYEXLQHWXPPHBT-UHFFFAOYSA-N 1 0 311.409 3.431 20 5 DGBDRO Clc1ccc2ccc3ccc(N4CC[C@@H]5[NH2+]CC[C@H]54)nc3c2n1 ZINC001165299585 1090498653 /nfs/dbraw/zinc/49/86/53/1090498653.db2.gz NYANHSFXLRAPBG-UONOGXRCSA-N 1 0 324.815 3.377 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001168601572 1090598875 /nfs/dbraw/zinc/59/88/75/1090598875.db2.gz OUYYHMPQCPAKDP-KBPBESRZSA-N 1 0 302.378 3.361 20 5 DGBDRO C[N@H+](CCc1ccc(F)cc1)CCc1ccccc1[N+](=O)[O-] ZINC001205756241 1091334786 /nfs/dbraw/zinc/33/47/86/1091334786.db2.gz ULPZBKVEEVTJCC-UHFFFAOYSA-N 1 0 302.349 3.451 20 5 DGBDRO COc1c(O)ccc(C[NH+]2CCCCCCCC2)c1[N+](=O)[O-] ZINC001205839095 1091374389 /nfs/dbraw/zinc/37/43/89/1091374389.db2.gz FFYCNQAOEMXODY-UHFFFAOYSA-N 1 0 308.378 3.465 20 5 DGBDRO Cn1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cc1=O ZINC001206123674 1091502058 /nfs/dbraw/zinc/50/20/58/1091502058.db2.gz WXMYFZKAFYCMFN-UHFFFAOYSA-N 1 0 316.364 3.413 20 5 DGBDRO Cc1cccc(NCC2C[NH+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000716219180 1091713540 /nfs/dbraw/zinc/71/35/40/1091713540.db2.gz CKYBASJUPWGJNK-UHFFFAOYSA-N 1 0 311.385 3.447 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)C1CC1 ZINC001207684187 1092069569 /nfs/dbraw/zinc/06/95/69/1092069569.db2.gz CRLDXQMDTKQQOR-LBPRGKRZSA-N 1 0 319.405 3.338 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC001168977060 1092456482 /nfs/dbraw/zinc/45/64/82/1092456482.db2.gz HLDJNWPXKCCQBC-UWWQBHOKSA-N 1 0 311.385 3.206 20 5 DGBDRO C[C@@H]([NH3+])Cc1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168984368 1092460769 /nfs/dbraw/zinc/46/07/69/1092460769.db2.gz MPOLJOVSPZGPRY-UMVBOHGHSA-N 1 0 301.390 3.149 20 5 DGBDRO C[C@@H]([NH3+])Cc1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168984367 1092460812 /nfs/dbraw/zinc/46/08/12/1092460812.db2.gz MPOLJOVSPZGPRY-NFAWXSAZSA-N 1 0 301.390 3.149 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC001168956934 1092462691 /nfs/dbraw/zinc/46/26/91/1092462691.db2.gz CVGLJOZATMSMTN-SKDRFNHKSA-N 1 0 320.286 3.380 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC001168956933 1092462827 /nfs/dbraw/zinc/46/28/27/1092462827.db2.gz CVGLJOZATMSMTN-JOYOIKCWSA-N 1 0 320.286 3.380 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC001168961618 1092464537 /nfs/dbraw/zinc/46/45/37/1092464537.db2.gz JDYNJJZRMJLZNH-RKDXNWHRSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC001168966561 1092468777 /nfs/dbraw/zinc/46/87/77/1092468777.db2.gz JMNJZHIEHPIHJL-NWDGAFQWSA-N 1 0 318.295 3.120 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2F)C1 ZINC001168971392 1092470722 /nfs/dbraw/zinc/47/07/22/1092470722.db2.gz KBZKGMXVPQTJRB-SCZZXKLOSA-N 1 0 304.724 3.153 20 5 DGBDRO Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1Cl ZINC001168967644 1092470846 /nfs/dbraw/zinc/47/08/46/1092470846.db2.gz RTAKPTCHTNGQNF-WDEREUQCSA-N 1 0 300.761 3.323 20 5 DGBDRO COc1ccccc1CC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168991589 1092474865 /nfs/dbraw/zinc/47/48/65/1092474865.db2.gz HUBYWTVUNVNJNC-ZBFHGGJFSA-N 1 0 318.417 3.195 20 5 DGBDRO COc1ccccc1CC1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992503 1092476342 /nfs/dbraw/zinc/47/63/42/1092476342.db2.gz KFLAXTPGZQHRQD-GOEBONIOSA-N 1 0 318.417 3.053 20 5 DGBDRO COc1ccccc1C1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168992486 1092477582 /nfs/dbraw/zinc/47/75/82/1092477582.db2.gz KBYHKUAHSJQVMY-KBPBESRZSA-N 1 0 304.390 3.109 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)C1 ZINC001168997600 1092478455 /nfs/dbraw/zinc/47/84/55/1092478455.db2.gz DXBZLZPIHWMXSW-GOEBONIOSA-N 1 0 306.381 3.183 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccncc2Cl)C2CC2)C1 ZINC001168997514 1092479333 /nfs/dbraw/zinc/47/93/33/1092479333.db2.gz CURUSGFPBDVBFJ-HCKVZZMMSA-N 1 0 309.797 3.221 20 5 DGBDRO COCCC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998524 1092479499 /nfs/dbraw/zinc/47/94/99/1092479499.db2.gz ODMNEDWHRZYNMI-OLZOCXBDSA-N 1 0 320.380 3.006 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)C1 ZINC001169001150 1092481400 /nfs/dbraw/zinc/48/14/00/1092481400.db2.gz CVVROUWFGITWNG-SIVJFFJCSA-N 1 0 310.344 3.377 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3F)no2)C1 ZINC001169004918 1092483602 /nfs/dbraw/zinc/48/36/02/1092483602.db2.gz SANKVHNDAZPJOY-NWDGAFQWSA-N 1 0 319.336 3.016 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ncccc2Cl)C2CC2)C1 ZINC001169006215 1092485853 /nfs/dbraw/zinc/48/58/53/1092485853.db2.gz WRTCPOZNOIERBL-MPKXVKKWSA-N 1 0 309.797 3.221 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001168988391 1092492432 /nfs/dbraw/zinc/49/24/32/1092492432.db2.gz RVEZEZKAOLTFKR-LYRGGWFBSA-N 1 0 308.809 3.232 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2c3ccc(F)cc3c3c2C[NH2+]CC3)C1 ZINC001169045572 1092497319 /nfs/dbraw/zinc/49/73/19/1092497319.db2.gz JMDSLLMNFITODF-AAEUAGOBSA-N 1 0 317.364 3.044 20 5 DGBDRO COc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169036602 1092498576 /nfs/dbraw/zinc/49/85/76/1092498576.db2.gz GZEQPSGABLKABH-QRTARXTBSA-N 1 0 304.390 3.278 20 5 DGBDRO COC1(c2ccccc2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037047 1092499043 /nfs/dbraw/zinc/49/90/43/1092499043.db2.gz HZOFIMLRTQUUAH-RDJZCZTQSA-N 1 0 318.417 3.070 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2c3ccc(F)cc3c3c2CC[NH2+]C3)C1 ZINC001169039536 1092500961 /nfs/dbraw/zinc/50/09/61/1092500961.db2.gz QXHFIMGLJOPQMR-DGCLKSJQSA-N 1 0 317.364 3.044 20 5 DGBDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169026409 1092507818 /nfs/dbraw/zinc/50/78/18/1092507818.db2.gz LSNJTPCIPVKPPS-QRTARXTBSA-N 1 0 304.390 3.278 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)C1 ZINC001169046322 1092508142 /nfs/dbraw/zinc/50/81/42/1092508142.db2.gz KNEZAFKHAPIUAI-BJJXKVORSA-N 1 0 324.421 3.438 20 5 DGBDRO Cc1cccc2c1[nH+]c(N)n2-c1c(F)ccc([N+](=O)[O-])c1F ZINC001215285300 1093951137 /nfs/dbraw/zinc/95/11/37/1093951137.db2.gz INQWVTFIWJULBI-UHFFFAOYSA-N 1 0 304.256 3.103 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2C)cc([N+](=O)[O-])c1 ZINC001120364512 1094415378 /nfs/dbraw/zinc/41/53/78/1094415378.db2.gz LRLQOBCVEJNZAF-WDEREUQCSA-N 1 0 318.377 3.057 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001120511264 1094445217 /nfs/dbraw/zinc/44/52/17/1094445217.db2.gz JBHZKLJEJQZZLQ-BMIGLBTASA-N 1 0 321.764 3.027 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](OC[C@@H]2CCC[NH2+]C2)C(F)(F)F)cc1 ZINC001217916252 1094517336 /nfs/dbraw/zinc/51/73/36/1094517336.db2.gz DLQJWLWKHLEKCM-ZWNOBZJWSA-N 1 0 318.295 3.214 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217945733 1094524525 /nfs/dbraw/zinc/52/45/25/1094524525.db2.gz MMCYPBDTQMSJGW-KOLCDFICSA-N 1 0 323.151 3.371 20 5 DGBDRO F[C@H]1C[NH2+]CCC[C@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001217952327 1094527435 /nfs/dbraw/zinc/52/74/35/1094527435.db2.gz UUKRHXNPBOKWNN-SCLBCKFNSA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2C[NH2+]CC[C@@H]2F)cc1 ZINC001217959150 1094531121 /nfs/dbraw/zinc/53/11/21/1094531121.db2.gz LJBJMMBEQCKMQP-RDJZCZTQSA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC[C@H]2F)cc1C(F)(F)F ZINC001217970911 1094535365 /nfs/dbraw/zinc/53/53/65/1094535365.db2.gz CUFBKUVWOWHXQH-PWSUYJOCSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CCCC[NH2+]C1 ZINC001217972849 1094536070 /nfs/dbraw/zinc/53/60/70/1094536070.db2.gz VCFIZFFVUFNWSZ-JTQLQIEISA-N 1 0 320.267 3.014 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001217989698 1094545671 /nfs/dbraw/zinc/54/56/71/1094545671.db2.gz SXVFHLKDBYDEMS-PELKAZGASA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@H](Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001218002916 1094553329 /nfs/dbraw/zinc/55/33/29/1094553329.db2.gz UZCJOUQHHSZIRY-VIFPVBQESA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H](Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001218003549 1094553355 /nfs/dbraw/zinc/55/33/55/1094553355.db2.gz XWICIZSGKUIKKM-VIFPVBQESA-N 1 0 318.295 3.381 20 5 DGBDRO F[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001218014638 1094559957 /nfs/dbraw/zinc/55/99/57/1094559957.db2.gz HKOVMNUBRWUJPP-UGSOOPFHSA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[NH2+]CC[C@H]2F)cc(C(F)(F)F)c1 ZINC001218016508 1094561894 /nfs/dbraw/zinc/56/18/94/1094561894.db2.gz FFGBNXJBIUOEGD-VXGBXAGGSA-N 1 0 322.258 3.083 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001218024516 1094564786 /nfs/dbraw/zinc/56/47/86/1094564786.db2.gz AVPFFJFSPHJHEI-JOYOIKCWSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001218027090 1094567207 /nfs/dbraw/zinc/56/72/07/1094567207.db2.gz MMIORJSRHQEZGG-SKDRFNHKSA-N 1 0 318.295 3.381 20 5 DGBDRO c1ccc2c(c1)nc(OC[C@H]1CCC3(C[NH2+]C3)O1)c1ccccc21 ZINC001218072527 1094587360 /nfs/dbraw/zinc/58/73/60/1094587360.db2.gz WZVFELRFWVOQRF-CQSZACIVSA-N 1 0 320.392 3.288 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218088802 1094595236 /nfs/dbraw/zinc/59/52/36/1094595236.db2.gz CISNBBFRPNCJQX-IRXDYDNUSA-N 1 0 318.373 3.099 20 5 DGBDRO c1ccc2nc3cc(O[C@H]4CSC5(C[NH2+]C5)C4)ccc3nc2c1 ZINC001218105164 1094606898 /nfs/dbraw/zinc/60/68/98/1094606898.db2.gz XRNKPKGINDGCSF-CYBMUJFWSA-N 1 0 323.421 3.009 20 5 DGBDRO c1ccc2cc3cc(O[C@@H]4C[C@H]5C[NH2+]CCN5C4)ccc3cc2c1 ZINC001218107419 1094608266 /nfs/dbraw/zinc/60/82/66/1094608266.db2.gz VFMRHTNWWMZBKD-PZJWPPBQSA-N 1 0 318.420 3.418 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@H]3CC[C@]34CC[NH2+]C4)ccc21 ZINC001218119472 1094618341 /nfs/dbraw/zinc/61/83/41/1094618341.db2.gz SEVZQDHEOYUNLT-AZUAARDMSA-N 1 0 321.376 3.467 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)nc2c1 ZINC001218135650 1094625573 /nfs/dbraw/zinc/62/55/73/1094625573.db2.gz ZEUQIRDGTYRNRW-BTTYYORXSA-N 1 0 305.381 3.160 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)c2)c1 ZINC001218148983 1094633172 /nfs/dbraw/zinc/63/31/72/1094633172.db2.gz GTJRLNWEBHYPQL-HWWDLCQESA-N 1 0 310.353 3.249 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001218234601 1094670298 /nfs/dbraw/zinc/67/02/98/1094670298.db2.gz IZUVFGNHIGWOSQ-MRVPVSSYSA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)c(Cl)cc1Cl ZINC001218247959 1094679079 /nfs/dbraw/zinc/67/90/79/1094679079.db2.gz RRHLYMMGNLUEJY-VAOFZXAKSA-N 1 0 317.172 3.421 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(OC3CC4(C3)CCC[NH2+]C4)nc21 ZINC001218254557 1094683364 /nfs/dbraw/zinc/68/33/64/1094683364.db2.gz BNLNRCUREWCFEV-UHFFFAOYSA-N 1 0 313.357 3.054 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1OC1CC2(C1)CCC[NH2+]C2 ZINC001218253807 1094684066 /nfs/dbraw/zinc/68/40/66/1094684066.db2.gz MMRWNJXNINWIDB-UHFFFAOYSA-N 1 0 314.744 3.298 20 5 DGBDRO CCC(=O)[C@H]1C[C@@H](Oc2nc3ccccc3c3ccccc32)C[NH2+]1 ZINC001218323512 1094715133 /nfs/dbraw/zinc/71/51/33/1094715133.db2.gz KRJDYWJDAQZHII-FZKQIMNGSA-N 1 0 320.392 3.476 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)nc2c1 ZINC001218340729 1094727346 /nfs/dbraw/zinc/72/73/46/1094727346.db2.gz SEADFAMTCDYIJR-BTTYYORXSA-N 1 0 305.381 3.445 20 5 DGBDRO C[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[NH2+]1 ZINC001218401832 1094753037 /nfs/dbraw/zinc/75/30/37/1094753037.db2.gz IJFBTGALYZIGFS-KWQFWETISA-N 1 0 304.268 3.133 20 5 DGBDRO C[C@H]1CC[C@@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C[NH2+]1 ZINC001218401378 1094753878 /nfs/dbraw/zinc/75/38/78/1094753878.db2.gz HEHYWUXHZNTIRX-DTWKUNHWSA-N 1 0 304.268 3.133 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001218420705 1094767267 /nfs/dbraw/zinc/76/72/67/1094767267.db2.gz UKRFZIWFXYAWEV-HQJQHLMTSA-N 1 0 305.161 3.278 20 5 DGBDRO Cc1cc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])s1 ZINC001336874528 1094768522 /nfs/dbraw/zinc/76/85/22/1094768522.db2.gz UJRPCDHEQDZHOK-RWMBFGLXSA-N 1 0 309.435 3.131 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)ccc21 ZINC001218458565 1094789128 /nfs/dbraw/zinc/78/91/28/1094789128.db2.gz BUFDKDOYMYTLQH-PZPSRYQVSA-N 1 0 321.376 3.323 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218468752 1094794606 /nfs/dbraw/zinc/79/46/06/1094794606.db2.gz SOCXPWVEKVIDNP-VFWDIBGWSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c(Cl)cc1Cl ZINC001218473270 1094796811 /nfs/dbraw/zinc/79/68/11/1094796811.db2.gz PTDDDQXIOIGEJD-RGNHYFCHSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c(Cl)cc1Cl ZINC001218473269 1094797173 /nfs/dbraw/zinc/79/71/73/1094797173.db2.gz PTDDDQXIOIGEJD-JOAULVNJSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1Cl ZINC001218478878 1094799531 /nfs/dbraw/zinc/79/95/31/1094799531.db2.gz GEUGFYZDUOFBAP-PNLAZUSQSA-N 1 0 303.145 3.173 20 5 DGBDRO O=[N+]([O-])c1cc2cccnc2c(O[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC001218488109 1094814861 /nfs/dbraw/zinc/81/48/61/1094814861.db2.gz LNIVTXBGUXALLY-KRWDZBQOSA-N 1 0 321.336 3.366 20 5 DGBDRO [NH3+][C@@H](CC1CCC1)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979344 1094918061 /nfs/dbraw/zinc/91/80/61/1094918061.db2.gz DUJQNXBVQWAXJG-HNNXBMFYSA-N 1 0 320.396 3.239 20 5 DGBDRO CC(C)(C)[C@H]([NH3+])CC(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218980408 1094921219 /nfs/dbraw/zinc/92/12/19/1094921219.db2.gz XSWHLQDNADZECW-OAHLLOKOSA-N 1 0 322.412 3.485 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001337406381 1094964235 /nfs/dbraw/zinc/96/42/35/1094964235.db2.gz BXMAUPJFQKIZSX-HUUCEWRRSA-N 1 0 304.390 3.486 20 5 DGBDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001160466707 1095441890 /nfs/dbraw/zinc/44/18/90/1095441890.db2.gz VEOKUVRRBBKFNX-RTCCRHLQSA-N 1 0 310.785 3.070 20 5 DGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC001116145498 1095468644 /nfs/dbraw/zinc/46/86/44/1095468644.db2.gz GYXNVBVPBLSIGL-TZMCWYRMSA-N 1 0 320.418 3.118 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1NC(=O)c2ccccc21 ZINC001171126658 1095469634 /nfs/dbraw/zinc/46/96/34/1095469634.db2.gz MTGSMJDGEQZCFU-GOSISDBHSA-O 1 0 310.421 3.137 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001116351515 1095522589 /nfs/dbraw/zinc/52/25/89/1095522589.db2.gz CXRXCQZKGVDPAX-JLJPHGGASA-N 1 0 304.390 3.140 20 5 DGBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001116442930 1095554440 /nfs/dbraw/zinc/55/44/40/1095554440.db2.gz YEFKCIAAZFVQCM-UHFFFAOYSA-N 1 0 314.769 3.022 20 5 DGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nc(C)ccc3[N+](=O)[O-])c2c1 ZINC001171168675 1095623626 /nfs/dbraw/zinc/62/36/26/1095623626.db2.gz LTOLWRPEOPUQNO-GFCCVEGCSA-N 1 0 324.384 3.440 20 5 DGBDRO Cc1c(C[N@@H+](Cc2ccccc2)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC001119234889 1096142066 /nfs/dbraw/zinc/14/20/66/1096142066.db2.gz HZIDAYKLSOEOLA-CQSZACIVSA-N 1 0 314.385 3.286 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+]C/C=C\C2CC2)cc1Br ZINC001119246274 1096143919 /nfs/dbraw/zinc/14/39/19/1096143919.db2.gz ZWIJFKPRWWZCSE-UPHRSURJSA-N 1 0 317.208 3.475 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc([N+](=O)[O-])c2ccccc12 ZINC001224206017 1096164177 /nfs/dbraw/zinc/16/41/77/1096164177.db2.gz RLGAKFYKHASQBQ-ZDUSSCGKSA-N 1 0 303.382 3.359 20 5 DGBDRO O=[N+]([O-])c1cccnc1O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001225592807 1096476448 /nfs/dbraw/zinc/47/64/48/1096476448.db2.gz IMWRPOUOAUKKOF-HNNXBMFYSA-N 1 0 313.357 3.033 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001225616667 1096483566 /nfs/dbraw/zinc/48/35/66/1096483566.db2.gz VRCYTJLRXDYMCB-NHAGDIPZSA-N 1 0 320.389 3.386 20 5 DGBDRO C[NH+](C)CC[C@@H](Oc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC001225632444 1096489940 /nfs/dbraw/zinc/48/99/40/1096489940.db2.gz LLLSRQSWEXSDBV-OAHLLOKOSA-N 1 0 301.346 3.062 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001225712296 1096511905 /nfs/dbraw/zinc/51/19/05/1096511905.db2.gz FBGGCODPMNBIQN-HBYGRHMLSA-N 1 0 310.781 3.357 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001225843828 1096544280 /nfs/dbraw/zinc/54/42/80/1096544280.db2.gz OMDKINLCFDAFOC-SECBINFHSA-N 1 0 321.299 3.118 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226311024 1096658679 /nfs/dbraw/zinc/65/86/79/1096658679.db2.gz JCNBJMNITMSIRB-JTQLQIEISA-N 1 0 304.268 3.087 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2ccc(Cl)cc2)nn1 ZINC001226490357 1096703988 /nfs/dbraw/zinc/70/39/88/1096703988.db2.gz QENBEZLXMWUQIV-LBPRGKRZSA-N 1 0 306.817 3.271 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Br)c2occc21 ZINC001226577008 1096725429 /nfs/dbraw/zinc/72/54/29/1096725429.db2.gz BDLDICSWDIWNJY-SECBINFHSA-N 1 0 314.203 3.064 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1ncc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001226750980 1096766639 /nfs/dbraw/zinc/76/66/39/1096766639.db2.gz BVKCYXCCLHURKM-HNNXBMFYSA-N 1 0 319.336 3.201 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226965101 1096830130 /nfs/dbraw/zinc/83/01/30/1096830130.db2.gz UVZPCUPSKJBOAW-JTQLQIEISA-N 1 0 304.268 3.087 20 5 DGBDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC001227484565 1096939217 /nfs/dbraw/zinc/93/92/17/1096939217.db2.gz RSKXDQWQTVMQQH-UONOGXRCSA-N 1 0 313.357 3.204 20 5 DGBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001228449639 1097122659 /nfs/dbraw/zinc/12/26/59/1097122659.db2.gz BQCOOZDVLWQAOC-HDJSIYSDSA-N 1 0 320.389 3.357 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1c(C(C)=O)cc(C)cc1[N+](=O)[O-] ZINC001228453312 1097123745 /nfs/dbraw/zinc/12/37/45/1097123745.db2.gz PEDOVFZGXFSWKO-LBPRGKRZSA-N 1 0 308.378 3.215 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001228572002 1097145093 /nfs/dbraw/zinc/14/50/93/1097145093.db2.gz UOHNKHIXZYSRJM-XOIINTDNSA-N 1 0 304.390 3.321 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228929976 1097219111 /nfs/dbraw/zinc/21/91/11/1097219111.db2.gz ILBPLZUYJDUANE-SNVBAGLBSA-N 1 0 318.295 3.475 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228930393 1097219908 /nfs/dbraw/zinc/21/99/08/1097219908.db2.gz LFLCDKSPCOHMLY-VIFPVBQESA-N 1 0 304.268 3.087 20 5 DGBDRO CC(C)(C)N1CC(Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229004937 1097235578 /nfs/dbraw/zinc/23/55/78/1097235578.db2.gz AQVIVYHTYZFLGQ-UHFFFAOYSA-N 1 0 301.346 3.005 20 5 DGBDRO Cc1cccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172896885 1097266151 /nfs/dbraw/zinc/26/61/51/1097266151.db2.gz TVHOZAMGUAMKGO-MRXNPFEDSA-N 1 0 311.385 3.335 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccnc1F)CC2 ZINC001172900270 1097267192 /nfs/dbraw/zinc/26/71/92/1097267192.db2.gz RVGVILMGMTXALV-OAHLLOKOSA-N 1 0 315.348 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC[C@H]1CCCCO1)CC2 ZINC001172897614 1097267828 /nfs/dbraw/zinc/26/78/28/1097267828.db2.gz BGQLIBFUUKHEFH-FUHWJXTLSA-N 1 0 318.417 3.391 20 5 DGBDRO COC1(C)CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907437 1097269317 /nfs/dbraw/zinc/26/93/17/1097269317.db2.gz DRTOSZKHUPAIPO-INIZCTEOSA-N 1 0 318.417 3.343 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1OC1CC[NH+](CC)CC1 ZINC001229176644 1097271087 /nfs/dbraw/zinc/27/10/87/1097271087.db2.gz AQXOIZOBGFFZDN-UHFFFAOYSA-N 1 0 306.362 3.051 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1ccncc1)CC2 ZINC001172896249 1097278085 /nfs/dbraw/zinc/27/80/85/1097278085.db2.gz NNIKVKGDBJSYDX-KRWDZBQOSA-N 1 0 311.385 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCc3cnccc3C1)CC2 ZINC001172909955 1097291338 /nfs/dbraw/zinc/29/13/38/1097291338.db2.gz WASFOUZQRPEXJU-SFHVURJKSA-N 1 0 323.396 3.296 20 5 DGBDRO CCN(CC)CC[N@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909582 1097291372 /nfs/dbraw/zinc/29/13/72/1097291372.db2.gz SXJQTYGOQAGYHC-QGZVFWFLSA-N 1 0 319.449 3.116 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H]3C[C@H]1C[C@H]3F)CC2 ZINC001172911866 1097292194 /nfs/dbraw/zinc/29/21/94/1097292194.db2.gz WTTNUHRLIPQGIF-NXNVCVFFSA-N 1 0 304.365 3.275 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC13CCOCC3)CC2 ZINC001172913248 1097293108 /nfs/dbraw/zinc/29/31/08/1097293108.db2.gz UZVMCVIBDJYRBD-RDJZCZTQSA-N 1 0 316.401 3.001 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([N+](=O)[O-])cc3cccnc31)C2 ZINC001229342504 1097302042 /nfs/dbraw/zinc/30/20/42/1097302042.db2.gz ALTNAYHKLTUCQT-NHAGDIPZSA-N 1 0 313.357 3.147 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001229381672 1097309885 /nfs/dbraw/zinc/30/98/85/1097309885.db2.gz VFNAGVUUGRPAOI-QHBPRCKVSA-N 1 0 310.781 3.357 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1F ZINC001173184040 1097356895 /nfs/dbraw/zinc/35/68/95/1097356895.db2.gz LDWXADCHMOSILP-NEPJUHHUSA-N 1 0 310.369 3.405 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1F ZINC001173184047 1097357235 /nfs/dbraw/zinc/35/72/35/1097357235.db2.gz LDWXADCHMOSILP-RYUDHWBXSA-N 1 0 310.369 3.405 20 5 DGBDRO CC(C)OCCOCc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001229649244 1097358533 /nfs/dbraw/zinc/35/85/33/1097358533.db2.gz FADMVBIYGBJZBS-MRXNPFEDSA-N 1 0 310.458 3.102 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1F ZINC001173195682 1097358793 /nfs/dbraw/zinc/35/87/93/1097358793.db2.gz IQGKWBKKKGMUCB-RTXFEEFZSA-N 1 0 322.380 3.261 20 5 DGBDRO CC[C@@H]1CC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173194741 1097358833 /nfs/dbraw/zinc/35/88/33/1097358833.db2.gz ZUGIANRKYONEBT-NWDGAFQWSA-N 1 0 310.369 3.405 20 5 DGBDRO COc1ccccc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216069 1097367859 /nfs/dbraw/zinc/36/78/59/1097367859.db2.gz JYWLSNDRWVRBIF-CYBMUJFWSA-N 1 0 300.358 3.324 20 5 DGBDRO COc1cccc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173217718 1097368836 /nfs/dbraw/zinc/36/88/36/1097368836.db2.gz ZNFFJUXEHQUWFS-CQSZACIVSA-N 1 0 314.385 3.367 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccc1Cl ZINC001173218179 1097369287 /nfs/dbraw/zinc/36/92/87/1097369287.db2.gz ORNTWEYUMMQJEP-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(C[C@H]2CCO)CC1 ZINC001173221487 1097372231 /nfs/dbraw/zinc/37/22/31/1097372231.db2.gz IVRSZAONGIXPCN-GOEBONIOSA-N 1 0 318.417 3.010 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001173223022 1097373173 /nfs/dbraw/zinc/37/31/73/1097373173.db2.gz WJYUYZJAZVRIIZ-UNEWFSDZSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CCO)Cc1ccccc1 ZINC001173226466 1097375240 /nfs/dbraw/zinc/37/52/40/1097375240.db2.gz LXEREXDFRBEDBG-HNNXBMFYSA-N 1 0 314.385 3.020 20 5 DGBDRO COC[C@@]12CCC[C@@H]1C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173226458 1097375441 /nfs/dbraw/zinc/37/54/41/1097375441.db2.gz QOVQMRGELXEPJC-LESCRADOSA-N 1 0 318.417 3.274 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CCO)Cc1cccs1 ZINC001173227919 1097376344 /nfs/dbraw/zinc/37/63/44/1097376344.db2.gz SMMQWUPZAQXMBE-ZDUSSCGKSA-N 1 0 320.414 3.082 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cncc1C1CC[NH2+]CC1 ZINC001173230344 1097376388 /nfs/dbraw/zinc/37/63/88/1097376388.db2.gz DXEAJMLPKBBYKK-CYBMUJFWSA-N 1 0 314.389 3.062 20 5 DGBDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231514 1097376871 /nfs/dbraw/zinc/37/68/71/1097376871.db2.gz LXVXJSDMPFBOGG-QIXHYMPYSA-N 1 0 304.390 3.168 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001173232389 1097377604 /nfs/dbraw/zinc/37/76/04/1097377604.db2.gz FUJDEJNHBRFWDR-YPMHNXCESA-N 1 0 310.394 3.055 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001173232386 1097377673 /nfs/dbraw/zinc/37/76/73/1097377673.db2.gz FUJDEJNHBRFWDR-WCQYABFASA-N 1 0 310.394 3.055 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)cn1 ZINC001173214619 1097382253 /nfs/dbraw/zinc/38/22/53/1097382253.db2.gz CXVWYUFJAWZXNI-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)c(Br)cc1F ZINC001229850035 1097398573 /nfs/dbraw/zinc/39/85/73/1097398573.db2.gz PVXPABFPXXAKPS-MRVPVSSYSA-N 1 0 309.174 3.201 20 5 DGBDRO Cc1ccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230492236 1097498296 /nfs/dbraw/zinc/49/82/96/1097498296.db2.gz LWWWHQDJZCOMAO-HAQNSBGRSA-N 1 0 323.349 3.063 20 5 DGBDRO Cc1cc(F)c(O[C@H](C)C[N+](C)(C)C)cc1Br ZINC001231003210 1097641086 /nfs/dbraw/zinc/64/10/86/1097641086.db2.gz GVWPSULTTHCSLV-SNVBAGLBSA-N 1 0 305.211 3.370 20 5 DGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001231055240 1097657020 /nfs/dbraw/zinc/65/70/20/1097657020.db2.gz AKPUIDHMZPETMY-XOIINTDNSA-N 1 0 304.390 3.321 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231156756 1097683814 /nfs/dbraw/zinc/68/38/14/1097683814.db2.gz PMWVNOLSOQEJFU-ZDUSSCGKSA-N 1 0 301.346 3.006 20 5 DGBDRO Cn1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)ccc1=O ZINC001174359012 1097695114 /nfs/dbraw/zinc/69/51/14/1097695114.db2.gz CCIRQKFMCZNPHM-UHFFFAOYSA-N 1 0 316.364 3.413 20 5 DGBDRO CCCCCCc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001231252365 1097703310 /nfs/dbraw/zinc/70/33/10/1097703310.db2.gz JVCIFUDXDHXZMG-QGZVFWFLSA-N 1 0 322.469 3.172 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[NH+]3CC4(C3)CCOC4)nc12 ZINC001232218763 1097971049 /nfs/dbraw/zinc/97/10/49/1097971049.db2.gz GSQHFRIJBQLFOB-UHFFFAOYSA-N 1 0 305.381 3.005 20 5 DGBDRO C[NH+](C)C[C@@H]1CCCN1Cc1ccc2ccc3cccnc3c2n1 ZINC001232223154 1097973123 /nfs/dbraw/zinc/97/31/23/1097973123.db2.gz KTHIIHCFNNNYJC-SFHVURJKSA-N 1 0 320.440 3.309 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3C[C@@H]4CCO[C@@H]4C3)nc12 ZINC001232225689 1097974573 /nfs/dbraw/zinc/97/45/73/1097974573.db2.gz OMKLTUNSHPGNLY-DOTOQJQBSA-N 1 0 305.381 3.004 20 5 DGBDRO C[N@H+](Cc1ccc2ccc3cccnc3c2n1)[C@H]1CCCOC1 ZINC001232228285 1097974628 /nfs/dbraw/zinc/97/46/28/1097974628.db2.gz NWMVKMOZGJQPPM-KRWDZBQOSA-N 1 0 307.397 3.394 20 5 DGBDRO Cc1nc(N)ncc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001175670343 1098132293 /nfs/dbraw/zinc/13/22/93/1098132293.db2.gz ACCCLUAAALDDPZ-UHFFFAOYSA-N 1 0 316.368 3.394 20 5 DGBDRO C[N@@H+]1CCc2ncc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)cc2C1 ZINC001175899459 1098201651 /nfs/dbraw/zinc/20/16/51/1098201651.db2.gz WAWWQHJBJOAAMA-RMKNXTFCSA-N 1 0 310.357 3.061 20 5 DGBDRO Nc1ccc2n(-c3ccc(C[NH3+])cc3)c3ccccc3cc-2c1=O ZINC001175970495 1098215763 /nfs/dbraw/zinc/21/57/63/1098215763.db2.gz DWCOIHMYWQINIL-UHFFFAOYSA-N 1 0 315.376 3.136 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC001176217917 1098286132 /nfs/dbraw/zinc/28/61/32/1098286132.db2.gz KULDTLROMSDLAI-KRWDZBQOSA-N 1 0 316.332 3.390 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233601859 1098386364 /nfs/dbraw/zinc/38/63/64/1098386364.db2.gz YDCRWNNDXDKDFR-JTQLQIEISA-N 1 0 300.305 3.125 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Br)c2ccccc2n1 ZINC001233766335 1098425917 /nfs/dbraw/zinc/42/59/17/1098425917.db2.gz PHIMKRSXIKPGCN-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO C[C@@]12CSC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001176804492 1098437318 /nfs/dbraw/zinc/43/73/18/1098437318.db2.gz QNNZLOQRPWXBLO-SMDDNHRTSA-N 1 0 312.822 3.433 20 5 DGBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001176926509 1098451508 /nfs/dbraw/zinc/45/15/08/1098451508.db2.gz KBVWOWYDVPUMHL-RHSMWYFYSA-N 1 0 320.389 3.137 20 5 DGBDRO COC(=O)c1cccc2ccc(O[C@H](C)C[N+](C)(C)C)cc21 ZINC001234469419 1098563141 /nfs/dbraw/zinc/56/31/41/1098563141.db2.gz WWACVMXZHYXLSA-CYBMUJFWSA-N 1 0 302.394 3.100 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234673778 1098641063 /nfs/dbraw/zinc/64/10/63/1098641063.db2.gz CCZTXMYDGAIPPF-LBPRGKRZSA-N 1 0 301.346 3.005 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001234675857 1098643076 /nfs/dbraw/zinc/64/30/76/1098643076.db2.gz DCPBKOFSFAIVPJ-JOCQHMNTSA-N 1 0 315.373 3.395 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001178696986 1098914094 /nfs/dbraw/zinc/91/40/94/1098914094.db2.gz RCJNYZYCKFCQQP-MRXNPFEDSA-N 1 0 320.396 3.206 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cnn2ccccc12)c1ccccc1[N+](=O)[O-] ZINC001179686564 1099163582 /nfs/dbraw/zinc/16/35/82/1099163582.db2.gz ZXNKWGUCBXPKBT-ZDUSSCGKSA-N 1 0 310.357 3.136 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc3cccnc3o1)CC2 ZINC001180267092 1099362691 /nfs/dbraw/zinc/36/26/91/1099362691.db2.gz NSNUYHMMQIMSJV-UHFFFAOYSA-N 1 0 309.325 3.294 20 5 DGBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC001194458357 1100943503 /nfs/dbraw/zinc/94/35/03/1100943503.db2.gz RODPWCHGXRMJIZ-MCCGJVOXSA-N 1 0 314.332 3.022 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](C3CCCCC3)C2)c1 ZINC001196409724 1101303148 /nfs/dbraw/zinc/30/31/48/1101303148.db2.gz JBMRDICGQAWRCX-HNNXBMFYSA-N 1 0 306.410 3.084 20 5 DGBDRO C[C@]1(C(F)(F)F)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001197544676 1101594009 /nfs/dbraw/zinc/59/40/09/1101594009.db2.gz ZXAMQXGAWVAYJI-ZDUSSCGKSA-N 1 0 318.295 3.248 20 5 DGBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001325873066 1103143219 /nfs/dbraw/zinc/14/32/19/1103143219.db2.gz KJJGYGCAFOPNBF-HNNXBMFYSA-N 1 0 312.797 3.089 20 5 DGBDRO CO[C@@H](C)C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000688081145 1103195277 /nfs/dbraw/zinc/19/52/77/1103195277.db2.gz GQDHJDJAGRAADN-NSHDSACASA-N 1 0 300.786 3.494 20 5 DGBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001329867449 1104402693 /nfs/dbraw/zinc/40/26/93/1104402693.db2.gz POGHKCULBSKGQU-XJKSGUPXSA-N 1 0 319.405 3.037 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001330288651 1104530783 /nfs/dbraw/zinc/53/07/83/1104530783.db2.gz FVVVFWKRULBIFA-HUUCEWRRSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC2(CC2(F)F)C1 ZINC001330354952 1104544728 /nfs/dbraw/zinc/54/47/28/1104544728.db2.gz SUNCRSUKPUVXEZ-JTZLXEIQSA-N 1 0 314.307 3.442 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3(CC4CC4)CC3)CC2)cc1 ZINC001254472721 1106078220 /nfs/dbraw/zinc/07/82/20/1106078220.db2.gz LMSPIKHKTBCWJM-UHFFFAOYSA-N 1 0 315.417 3.486 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)nc1 ZINC001254531065 1106093983 /nfs/dbraw/zinc/09/39/83/1106093983.db2.gz CGIICSDPEYJGEK-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO Cc1ccc2ncc(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])n2c1 ZINC001254532941 1106096702 /nfs/dbraw/zinc/09/67/02/1106096702.db2.gz UHBTVUMDMBDZLJ-CQSZACIVSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1(O)CCCCC1 ZINC001254536208 1106097694 /nfs/dbraw/zinc/09/76/94/1106097694.db2.gz OPVCNVDGTKZWTA-CQSZACIVSA-N 1 0 306.406 3.201 20 5 DGBDRO Cc1ccc(CCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254538791 1106098193 /nfs/dbraw/zinc/09/81/93/1106098193.db2.gz BJSFYGQVRJVIFR-HNNXBMFYSA-N 1 0 313.401 3.452 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(Cl)n1 ZINC001254538476 1106098386 /nfs/dbraw/zinc/09/83/86/1106098386.db2.gz VYOWTRLKZFAGHX-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(C)(C)N(O)C1(C)C ZINC001254541614 1106099474 /nfs/dbraw/zinc/09/94/74/1106099474.db2.gz ICDXMELSXYCWSQ-DOMZBBRYSA-N 1 0 321.421 3.136 20 5 DGBDRO CCOc1ccnc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254543656 1106099484 /nfs/dbraw/zinc/09/94/84/1106099484.db2.gz FRAZRGWLNWPRSW-ZDUSSCGKSA-N 1 0 315.373 3.109 20 5 DGBDRO COc1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ccc1F ZINC001254542497 1106099910 /nfs/dbraw/zinc/09/99/10/1106099910.db2.gz OILVLHBGCKPVPP-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@](C)(CO)c1ccccc1 ZINC001254547360 1106100328 /nfs/dbraw/zinc/10/03/28/1106100328.db2.gz HLQVSMPWDZQLRO-KSSFIOAISA-N 1 0 314.385 3.023 20 5 DGBDRO CCC(CC)N1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254547478 1106100814 /nfs/dbraw/zinc/10/08/14/1106100814.db2.gz ISKBUGNCWMXLMI-HOCLYGCPSA-N 1 0 319.449 3.378 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1CCC(O)CC1 ZINC001254545085 1106100928 /nfs/dbraw/zinc/10/09/28/1106100928.db2.gz AFVUVWGUMLNING-VQCLRJIVSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001254551800 1106101432 /nfs/dbraw/zinc/10/14/32/1106101432.db2.gz FVDOOMXMZROPKT-ZBFHGGJFSA-N 1 0 318.417 3.010 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001254560073 1106104036 /nfs/dbraw/zinc/10/40/36/1106104036.db2.gz OXYVSHOTFJAOJI-DOTOQJQBSA-N 1 0 317.433 3.086 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cccn2)CC1 ZINC001254563702 1106104304 /nfs/dbraw/zinc/10/43/04/1106104304.db2.gz BLFJNOSBSKWXKD-AWEZNQCLSA-N 1 0 314.389 3.059 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCOCC2)CC1 ZINC001254560742 1106104519 /nfs/dbraw/zinc/10/45/19/1106104519.db2.gz XDQAYDQYFFSQLU-OAHLLOKOSA-N 1 0 318.417 3.418 20 5 DGBDRO C[C@H]([NH3+])c1nc2ccccc2n1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566266 1106105392 /nfs/dbraw/zinc/10/53/92/1106105392.db2.gz JCVMSONKXNFRTR-NHYWBVRUSA-N 1 0 322.368 3.304 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C2 ZINC001254569414 1106105998 /nfs/dbraw/zinc/10/59/98/1106105998.db2.gz XYUGZAPLYXQMKH-HNNXBMFYSA-N 1 0 304.296 3.130 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCc1cccs1)C2 ZINC001254571666 1106106055 /nfs/dbraw/zinc/10/60/55/1106106055.db2.gz ACXBCBLSOYHACQ-CQSZACIVSA-N 1 0 302.399 3.346 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCc3cccnc31)C2 ZINC001254575351 1106106638 /nfs/dbraw/zinc/10/66/38/1106106638.db2.gz PUSAFUZSDWPBCX-WBVHZDCISA-N 1 0 309.369 3.124 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCCc1ccccn1)C2 ZINC001254574204 1106106860 /nfs/dbraw/zinc/10/68/60/1106106860.db2.gz GQTNAJMLLZJXBM-KRWDZBQOSA-N 1 0 311.385 3.070 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573070 1106106899 /nfs/dbraw/zinc/10/68/99/1106106899.db2.gz WHYQYYPNNFAQOY-SJCJKPOMSA-N 1 0 314.360 3.422 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573072 1106107017 /nfs/dbraw/zinc/10/70/17/1106107017.db2.gz WHYQYYPNNFAQOY-YVEFUNNKSA-N 1 0 314.360 3.422 20 5 DGBDRO COc1cccc([C@@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572999 1106107046 /nfs/dbraw/zinc/10/70/46/1106107046.db2.gz VDPYMOQITYJVSV-WBMJQRKESA-N 1 0 312.369 3.421 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCc3cc(F)ccc31)C2 ZINC001254578223 1106107652 /nfs/dbraw/zinc/10/76/52/1106107652.db2.gz BSXZGKWJWFPDEW-QAPCUYQASA-N 1 0 312.344 3.478 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCc3c1cccc3F)C2 ZINC001254578068 1106107761 /nfs/dbraw/zinc/10/77/61/1106107761.db2.gz IVUOSRGHOZGDNI-FZKQIMNGSA-N 1 0 312.344 3.478 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)C2 ZINC001254580186 1106108546 /nfs/dbraw/zinc/10/85/46/1106108546.db2.gz ZSQHRDTVHSQFDK-QAPCUYQASA-N 1 0 309.369 3.198 20 5 DGBDRO COc1ccc(C2([NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)cc1 ZINC001254585694 1106109306 /nfs/dbraw/zinc/10/93/06/1106109306.db2.gz NBCCCOSKIJRJJJ-INIZCTEOSA-N 1 0 324.380 3.350 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCc3c1cccc3O)C2 ZINC001254589783 1106109857 /nfs/dbraw/zinc/10/98/57/1106109857.db2.gz RAVLVCRTKGISSO-GUYCJALGSA-N 1 0 310.353 3.045 20 5 DGBDRO Cn1ccc2ccc(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc21 ZINC001254589652 1106109864 /nfs/dbraw/zinc/10/98/64/1106109864.db2.gz QLEDAMHQGMVZSV-QGZVFWFLSA-N 1 0 321.380 3.344 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3CC[C@@H](C1)C3(F)F)C2 ZINC001254592452 1106110061 /nfs/dbraw/zinc/11/00/61/1106110061.db2.gz DIQQOZZTYFLPIC-GUTXKFCHSA-N 1 0 308.328 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCc3ccccc3O1)C2 ZINC001254590052 1106110091 /nfs/dbraw/zinc/11/00/91/1106110091.db2.gz UCZKUAMDXSXLAH-SJLPKXTDSA-N 1 0 324.380 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cncc3ccccc31)C2 ZINC001254589859 1106110108 /nfs/dbraw/zinc/11/01/08/1106110108.db2.gz SLJMCVZOVKHGCV-KRWDZBQOSA-N 1 0 319.364 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H]1c1cccnc1)C2 ZINC001254597307 1106110670 /nfs/dbraw/zinc/11/06/70/1106110670.db2.gz HBDYJHFDBHRMPE-QZTJIDSGSA-N 1 0 309.369 3.294 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H]1Cc1ccccn1)C2 ZINC001254597967 1106110804 /nfs/dbraw/zinc/11/08/04/1106110804.db2.gz FMJQAHUIANFBOL-IEBWSBKVSA-N 1 0 323.396 3.164 20 5 DGBDRO COc1ccc2c(c1)CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254597918 1106110916 /nfs/dbraw/zinc/11/09/16/1106110916.db2.gz JFVBKXUADVAPEG-SFHVURJKSA-N 1 0 324.380 3.129 20 5 DGBDRO C[N@H+](Cc1nc2ccccc2o1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604362 1106111817 /nfs/dbraw/zinc/11/18/17/1106111817.db2.gz WDGNFJVBOMIEPL-OAHLLOKOSA-N 1 0 323.352 3.335 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H]1c1nccs1)C2 ZINC001254604897 1106112429 /nfs/dbraw/zinc/11/24/29/1106112429.db2.gz YFMFRGZLMOFICN-HUUCEWRRSA-N 1 0 315.398 3.356 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCc3cc(F)ccc3C1)C2 ZINC001254607705 1106112449 /nfs/dbraw/zinc/11/24/49/1106112449.db2.gz MHWYXOVADGAUEU-GOSISDBHSA-N 1 0 312.344 3.259 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+](C1CCC1)C1CCOCC1)C2 ZINC001254611000 1106113148 /nfs/dbraw/zinc/11/31/48/1106113148.db2.gz NLGHROQMWFNXSJ-GOSISDBHSA-N 1 0 316.401 3.096 20 5 DGBDRO C[N@H+](CCc1cccc(F)c1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611818 1106113458 /nfs/dbraw/zinc/11/34/58/1106113458.db2.gz TYZVKGZVANBHSK-SFHVURJKSA-N 1 0 314.360 3.376 20 5 DGBDRO C[N@@H+](Cc1cc(F)cc(F)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001320814211 1107148391 /nfs/dbraw/zinc/14/83/91/1107148391.db2.gz MFDYFVZUMVNSIW-MRXNPFEDSA-N 1 0 322.311 3.038 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001321635723 1107398679 /nfs/dbraw/zinc/39/86/79/1107398679.db2.gz GTBUALKMGGUZIT-DZGCQCFKSA-N 1 0 311.813 3.211 20 5 DGBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001262010429 1107572095 /nfs/dbraw/zinc/57/20/95/1107572095.db2.gz FDUALZWKQQMNKK-VXGBXAGGSA-N 1 0 318.295 3.271 20 5 DGBDRO Cc1c(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)ccc2c[nH+]cn21 ZINC001322709187 1107742805 /nfs/dbraw/zinc/74/28/05/1107742805.db2.gz OSMGHTQOKCYVRH-UHFFFAOYSA-N 1 0 321.296 3.268 20 5 DGBDRO Cc1cc(NC(=O)CCCC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC001264011146 1108336103 /nfs/dbraw/zinc/33/61/03/1108336103.db2.gz XDYKCNUZSVQZSB-UHFFFAOYSA-N 1 0 305.378 3.108 20 5 DGBDRO CC(C)(CCC(=O)Nc1cccc(C[NH+]2CCCC2)c1)[N+](=O)[O-] ZINC001324645755 1108398022 /nfs/dbraw/zinc/39/80/22/1108398022.db2.gz OZDUPHVUDSOAOX-UHFFFAOYSA-N 1 0 319.405 3.056 20 5 DGBDRO Cc1nc(Nc2cccc(C[NH+]3CCCC3)c2)ncc1[N+](=O)[O-] ZINC001324707060 1108434692 /nfs/dbraw/zinc/43/46/92/1108434692.db2.gz BRYDQXZAKNQCKH-UHFFFAOYSA-N 1 0 313.361 3.033 20 5 DGBDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC001324761595 1108455052 /nfs/dbraw/zinc/45/50/52/1108455052.db2.gz XMEYFOPAIWDSJW-RCCFBDPRSA-N 1 0 317.433 3.435 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@@H]2CCOC2)o1 ZINC001319425948 1108460903 /nfs/dbraw/zinc/46/09/03/1108460903.db2.gz QEHOHKPJNSIGJP-LLVKDONJSA-N 1 0 322.748 3.387 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N(C)C ZINC001319762922 1108627570 /nfs/dbraw/zinc/62/75/70/1108627570.db2.gz KCMSBXTUILBGHT-IAOVAPTHSA-N 1 0 305.422 3.427 20 5 DGBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001305601158 1111205902 /nfs/dbraw/zinc/20/59/02/1111205902.db2.gz MSMGJWWGZJPHIW-OAHLLOKOSA-N 1 0 305.378 3.106 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC001307606980 1111319322 /nfs/dbraw/zinc/31/93/22/1111319322.db2.gz VRIWXECSTVNOOT-OLZOCXBDSA-N 1 0 319.405 3.290 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC001307606979 1111319535 /nfs/dbraw/zinc/31/95/35/1111319535.db2.gz VRIWXECSTVNOOT-CHWSQXEVSA-N 1 0 319.405 3.290 20 5 DGBDRO Cc1ccc2c(c1)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC001307911552 1111354752 /nfs/dbraw/zinc/35/47/52/1111354752.db2.gz DRAAXOWZQZVAFL-UHFFFAOYSA-N 1 0 312.369 3.340 20 5 DGBDRO Cc1c(CN2CC[N@H+](C3CCCC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001308079818 1111375531 /nfs/dbraw/zinc/37/55/31/1111375531.db2.gz PULHAUHHUDHSTL-CQSZACIVSA-N 1 0 317.433 3.352 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001308132832 1111382387 /nfs/dbraw/zinc/38/23/87/1111382387.db2.gz BNDKLXCKAKXCTJ-CYBMUJFWSA-N 1 0 305.378 3.188 20 5 DGBDRO C[C@@]12CSC[C@@H]1C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001308133412 1111382565 /nfs/dbraw/zinc/38/25/65/1111382565.db2.gz GBOGOOGYOAPOBM-SMDDNHRTSA-N 1 0 312.822 3.433 20 5 DGBDRO Cc1csc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC001308296282 1111413190 /nfs/dbraw/zinc/41/31/90/1111413190.db2.gz SQEHJIWMGOOVTN-UHFFFAOYSA-N 1 0 305.403 3.472 20 5 DGBDRO COc1cc(C[NH2+]C/C=C\c2ccccc2)c([N+](=O)[O-])cc1O ZINC001308350556 1111419857 /nfs/dbraw/zinc/41/98/57/1111419857.db2.gz ZLDGAQGZLNNURI-YVMONPNESA-N 1 0 314.341 3.112 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2cccc3nsnc32)cc1[N+](=O)[O-] ZINC001308495482 1111434750 /nfs/dbraw/zinc/43/47/50/1111434750.db2.gz VDQQPRWYPPUHMT-UHFFFAOYSA-N 1 0 314.370 3.198 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC001308763949 1111471922 /nfs/dbraw/zinc/47/19/22/1111471922.db2.gz CKPILFDPMROMJG-AWEZNQCLSA-N 1 0 305.422 3.128 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC001308987944 1111506142 /nfs/dbraw/zinc/50/61/42/1111506142.db2.gz UYEDLSOWQNDTHD-GFCCVEGCSA-N 1 0 313.829 3.458 20 5 DGBDRO C[C@H](O)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000278690047 214329313 /nfs/dbraw/zinc/32/93/13/214329313.db2.gz PUFZPJVRZKVVQT-LBPRGKRZSA-N 1 0 304.346 3.105 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCn2cc(Cl)cn2)cc1[N+](=O)[O-] ZINC000314307119 231129748 /nfs/dbraw/zinc/12/97/48/231129748.db2.gz QKBIYFDDXBXBTL-NSHDSACASA-N 1 0 308.769 3.104 20 5 DGBDRO Cc1cc(NC[C@@](C)(O)C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000319357852 231183033 /nfs/dbraw/zinc/18/30/33/231183033.db2.gz AMAAVIGGMPOYNU-MRXNPFEDSA-N 1 0 301.346 3.024 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1CC(O)C1 ZINC000432408148 529418389 /nfs/dbraw/zinc/41/83/89/529418389.db2.gz AIRWKBYVSLDQJU-ROKHWSDSSA-N 1 0 324.446 3.216 20 5 DGBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000294677616 529504844 /nfs/dbraw/zinc/50/48/44/529504844.db2.gz AYXBYHLDZFFSMG-ZDUSSCGKSA-N 1 0 304.346 3.058 20 5 DGBDRO CCc1ccccc1[C@@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1C ZINC000415063523 529611476 /nfs/dbraw/zinc/61/14/76/529611476.db2.gz IKYOGFUCTAGZHB-SFHVURJKSA-N 1 0 313.401 3.255 20 5 DGBDRO CCc1ccccc1[C@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1C ZINC000415063522 529616989 /nfs/dbraw/zinc/61/69/89/529616989.db2.gz IKYOGFUCTAGZHB-GOSISDBHSA-N 1 0 313.401 3.255 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090540922 185301838 /nfs/dbraw/zinc/30/18/38/185301838.db2.gz QSHJJFZWMJHHGR-JGGQBBKZSA-N 1 0 322.430 3.300 20 5 DGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C1=CC[N@H+](C)CC1 ZINC000272749460 210153750 /nfs/dbraw/zinc/15/37/50/210153750.db2.gz DUQLUXRKQHHKED-LBPRGKRZSA-N 1 0 312.373 3.205 20 5 DGBDRO C[NH2+]C[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420214430 529986371 /nfs/dbraw/zinc/98/63/71/529986371.db2.gz VNGVFTLFYLRSKB-MRVPVSSYSA-N 1 0 305.300 3.189 20 5 DGBDRO C[NH+]1CCC(CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000299652321 530049041 /nfs/dbraw/zinc/04/90/41/530049041.db2.gz JRGNSWIVUPBYHD-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)CC1(C)C ZINC000331019572 232351392 /nfs/dbraw/zinc/35/13/92/232351392.db2.gz WQFCVJPUMVNQNO-GFCCVEGCSA-N 1 0 319.405 3.352 20 5 DGBDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000279665844 215044149 /nfs/dbraw/zinc/04/41/49/215044149.db2.gz DXSAFBVLNYUAIQ-CXAGYDPISA-N 1 0 300.358 3.461 20 5 DGBDRO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000272639211 210043045 /nfs/dbraw/zinc/04/30/45/210043045.db2.gz ODJJKJUHOXLMBT-CQSZACIVSA-N 1 0 322.796 3.265 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1cccnc1)C1CC1 ZINC000133459723 185987085 /nfs/dbraw/zinc/98/70/85/185987085.db2.gz CAJGLVRXEIOEAE-QGZVFWFLSA-N 1 0 311.385 3.143 20 5 DGBDRO C[C@@H](CO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237451000 186290998 /nfs/dbraw/zinc/29/09/98/186290998.db2.gz GVMGILJJQQMWNQ-LLVKDONJSA-N 1 0 306.387 3.041 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(N)c1F)c1cccs1 ZINC000266849756 186358682 /nfs/dbraw/zinc/35/86/82/186358682.db2.gz KXZSEOAFIVZBNC-LLVKDONJSA-N 1 0 324.381 3.092 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000280092577 215368986 /nfs/dbraw/zinc/36/89/86/215368986.db2.gz ZGDVPKWGMQNZIZ-FOCJUVANSA-N 1 0 320.389 3.223 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000107071337 432027534 /nfs/dbraw/zinc/02/75/34/432027534.db2.gz NQDBMBKXHKRLCZ-OLZOCXBDSA-N 1 0 313.357 3.273 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072697302 191215512 /nfs/dbraw/zinc/21/55/12/191215512.db2.gz OFMASKDVDMPXJJ-TXEJJXNPSA-N 1 0 316.361 3.408 20 5 DGBDRO C[C@@H](CCCO)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305790107 295856030 /nfs/dbraw/zinc/85/60/30/295856030.db2.gz AXVNIPZZXVYDIT-KBXCAEBGSA-N 1 0 314.385 3.435 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000174242344 198310318 /nfs/dbraw/zinc/31/03/18/198310318.db2.gz RFHXYILDUDXFEY-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO C[NH+](C)Cc1ccnc(NCc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000182109792 199388774 /nfs/dbraw/zinc/38/87/74/199388774.db2.gz AJTMSQDJJZTHHK-UHFFFAOYSA-N 1 0 320.780 3.317 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)OC(C)(C)C ZINC000163607776 432037243 /nfs/dbraw/zinc/03/72/43/432037243.db2.gz GDZLMXWYTAVGPP-ZDUSSCGKSA-N 1 0 322.405 3.237 20 5 DGBDRO CCc1nc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000184694901 199751814 /nfs/dbraw/zinc/75/18/14/199751814.db2.gz WPUFOOOEKKJDEF-NSHDSACASA-N 1 0 321.402 3.343 20 5 DGBDRO CCN(CC)[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccco1 ZINC000236898821 202059923 /nfs/dbraw/zinc/05/99/23/202059923.db2.gz MKDIZGHXVOBUJP-CYBMUJFWSA-N 1 0 323.418 3.422 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cnn1C ZINC000177960401 198794671 /nfs/dbraw/zinc/79/46/71/198794671.db2.gz FOZWPBOUVWKTDL-NEPJUHHUSA-N 1 0 302.378 3.357 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000179750696 199076138 /nfs/dbraw/zinc/07/61/38/199076138.db2.gz WUEZOBDPDISNTR-GOSISDBHSA-N 1 0 314.385 3.241 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000276689961 213049759 /nfs/dbraw/zinc/04/97/59/213049759.db2.gz UOARDRYLTXQGNN-MGPQQGTHSA-N 1 0 324.446 3.216 20 5 DGBDRO CC[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276686343 213046864 /nfs/dbraw/zinc/04/68/64/213046864.db2.gz VSUJGRGTQMSBNN-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@]1(O)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000180190625 199128900 /nfs/dbraw/zinc/12/89/00/199128900.db2.gz GGIBOARRACIFKH-INIZCTEOSA-N 1 0 318.398 3.280 20 5 DGBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180855445 199218966 /nfs/dbraw/zinc/21/89/66/199218966.db2.gz TYYKGGJQOJHHKN-GXTWGEPZSA-N 1 0 316.357 3.058 20 5 DGBDRO CCOC(CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)OCC ZINC000276593496 212985494 /nfs/dbraw/zinc/98/54/94/212985494.db2.gz XBIYYBIEVZRSPW-CYBMUJFWSA-N 1 0 310.394 3.343 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000237530985 202273775 /nfs/dbraw/zinc/27/37/75/202273775.db2.gz MGVUULRFJUZRPR-CYBMUJFWSA-N 1 0 302.349 3.497 20 5 DGBDRO C[C@@H]1CCCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000187981633 200185824 /nfs/dbraw/zinc/18/58/24/200185824.db2.gz GHTDZLLQLVGKKF-CYBMUJFWSA-N 1 0 305.378 3.045 20 5 DGBDRO Cc1ccc(CNC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000237731206 202340992 /nfs/dbraw/zinc/34/09/92/202340992.db2.gz KOFWSOQOVOTXCC-UHFFFAOYSA-N 1 0 305.422 3.256 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CC(C)C)OC ZINC000418095456 237640522 /nfs/dbraw/zinc/64/05/22/237640522.db2.gz JEHCTMLPWGVVCF-OAHLLOKOSA-N 1 0 310.394 3.144 20 5 DGBDRO CC[C@@](C)(O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180494783 432088411 /nfs/dbraw/zinc/08/84/11/432088411.db2.gz OWYVOAXLPQKLOD-ZWKOTPCHSA-N 1 0 314.385 3.435 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134907882 432088920 /nfs/dbraw/zinc/08/89/20/432088920.db2.gz YLBOBKAPQKBYFE-CRAIPNDOSA-N 1 0 315.417 3.044 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c(Cl)c1 ZINC000428561407 238025726 /nfs/dbraw/zinc/02/57/26/238025726.db2.gz DSAYPIZMAGWUFT-LBPRGKRZSA-N 1 0 318.760 3.211 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429363334 238049487 /nfs/dbraw/zinc/04/94/87/238049487.db2.gz COZDRVQJQRWBAE-GJZGRUSLSA-N 1 0 317.433 3.462 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000430129901 238068068 /nfs/dbraw/zinc/06/80/68/238068068.db2.gz VOUSUUWIWZZOMQ-JCKWVBRZSA-N 1 0 317.433 3.065 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430226664 238071677 /nfs/dbraw/zinc/07/16/77/238071677.db2.gz NKTRATRUUTWBAX-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000432320655 238125100 /nfs/dbraw/zinc/12/51/00/238125100.db2.gz ALSIVSJIPFKHST-NWDGAFQWSA-N 1 0 312.373 3.180 20 5 DGBDRO [NH3+][C@@H]1CC[C@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000420225538 283600019 /nfs/dbraw/zinc/60/00/19/283600019.db2.gz DRSMJJDSIDXSLJ-JVUFJMBOSA-N 1 0 316.188 3.075 20 5 DGBDRO CN(C(=O)C[NH2+]C(C)(C)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000053123764 283602924 /nfs/dbraw/zinc/60/29/24/283602924.db2.gz OCGKGOOOEWDVLS-UHFFFAOYSA-N 1 0 321.421 3.362 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000192486476 200886731 /nfs/dbraw/zinc/88/67/31/200886731.db2.gz JWHPETSYUBTYNA-WCQYABFASA-N 1 0 318.402 3.126 20 5 DGBDRO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189833420 432095440 /nfs/dbraw/zinc/09/54/40/432095440.db2.gz QRZQTVLBHXSSMY-VIFPVBQESA-N 1 0 324.274 3.162 20 5 DGBDRO CCC(=O)c1ccc(NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000281452648 216309783 /nfs/dbraw/zinc/30/97/83/216309783.db2.gz LBBHEAZOEBARJM-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(Cl)c1 ZINC000194180423 201192151 /nfs/dbraw/zinc/19/21/51/201192151.db2.gz DXJHYTKOGRFKFX-BPLDGKMQSA-N 1 0 322.792 3.295 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271865961 209279667 /nfs/dbraw/zinc/27/96/67/209279667.db2.gz LNQGCYHCVIOYAE-BBRMVZONSA-N 1 0 306.406 3.351 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000194415575 201222882 /nfs/dbraw/zinc/22/28/82/201222882.db2.gz VOCUMYPQGBKCLR-CQSZACIVSA-N 1 0 314.385 3.367 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccc3[nH]ccc3c2)cs1 ZINC000441215078 239022704 /nfs/dbraw/zinc/02/27/04/239022704.db2.gz ZUXOEDRWGXDRSQ-UHFFFAOYSA-N 1 0 301.371 3.470 20 5 DGBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000441448128 239052619 /nfs/dbraw/zinc/05/26/19/239052619.db2.gz OKBZJKMWSJHJDA-UONOGXRCSA-N 1 0 322.405 3.493 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442774555 239120890 /nfs/dbraw/zinc/12/08/90/239120890.db2.gz ZMSVQCZGSIQUCH-AWEZNQCLSA-N 1 0 321.380 3.376 20 5 DGBDRO CC(C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000271849479 209266272 /nfs/dbraw/zinc/26/62/72/209266272.db2.gz XEXMEXIHPVUSOW-INIZCTEOSA-N 1 0 318.348 3.292 20 5 DGBDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444590689 239302414 /nfs/dbraw/zinc/30/24/14/239302414.db2.gz MFYDDNITOHUQEU-RYUDHWBXSA-N 1 0 302.378 3.482 20 5 DGBDRO CCOC(=O)CCCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271832095 209253197 /nfs/dbraw/zinc/25/31/97/209253197.db2.gz WYYFUMFOLWSTHA-HNNXBMFYSA-N 1 0 308.378 3.369 20 5 DGBDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000072563189 283752192 /nfs/dbraw/zinc/75/21/92/283752192.db2.gz FDKDCSDLWREDNQ-HNNXBMFYSA-N 1 0 311.385 3.478 20 5 DGBDRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449099920 240016732 /nfs/dbraw/zinc/01/67/32/240016732.db2.gz PGVVDAGYCIHOGL-GHMZBOCLSA-N 1 0 320.311 3.083 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1ccc(O)cc1 ZINC000449146090 240038549 /nfs/dbraw/zinc/03/85/49/240038549.db2.gz ZVOXXMNRZRRTEW-AWEZNQCLSA-N 1 0 314.385 3.454 20 5 DGBDRO C[C@H](CCc1cccn1C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449151472 240041076 /nfs/dbraw/zinc/04/10/76/240041076.db2.gz XPJQKWZYPYVXDV-HUUCEWRRSA-N 1 0 315.417 3.475 20 5 DGBDRO CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000449078059 240006941 /nfs/dbraw/zinc/00/69/41/240006941.db2.gz UAYIHTJJZUOTTE-MAUKXSAKSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000449173737 240051390 /nfs/dbraw/zinc/05/13/90/240051390.db2.gz GPIOBHMJDLNOAA-XYPHTWIQSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000449237814 240085924 /nfs/dbraw/zinc/08/59/24/240085924.db2.gz PBEXJXDYMILPMR-NEPJUHHUSA-N 1 0 305.403 3.376 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)CC1CCCC1 ZINC000449305134 240121023 /nfs/dbraw/zinc/12/10/23/240121023.db2.gz REHVFSUUBTYUHS-GDBMZVCRSA-N 1 0 320.433 3.304 20 5 DGBDRO C[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000449344122 240147580 /nfs/dbraw/zinc/14/75/80/240147580.db2.gz BAMGOUFBCDOJBW-VOKGJARPSA-N 1 0 315.417 3.024 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C(F)(F)F)C1 ZINC000449332265 240137043 /nfs/dbraw/zinc/13/70/43/240137043.db2.gz QNNAVAPJCFVFRR-GCVQQVDUSA-N 1 0 302.296 3.456 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OCC)[C@@H](C)C1 ZINC000449495970 240246258 /nfs/dbraw/zinc/24/62/58/240246258.db2.gz PDQOAIBGEHCSOV-BBRMVZONSA-N 1 0 322.405 3.240 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H]3CCCOC3)C2)cc1 ZINC000449499643 240247979 /nfs/dbraw/zinc/24/79/79/240247979.db2.gz MJSVVWOCZXBIRC-HOCLYGCPSA-N 1 0 304.390 3.201 20 5 DGBDRO COCC(C)(C)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449502377 240251631 /nfs/dbraw/zinc/25/16/31/240251631.db2.gz RNRIGIMDLKXEHB-OAHLLOKOSA-N 1 0 306.406 3.447 20 5 DGBDRO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506973 240255649 /nfs/dbraw/zinc/25/56/49/240255649.db2.gz ZVLXYHFDFHZVQF-OAHLLOKOSA-N 1 0 314.389 3.314 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000449513247 240260163 /nfs/dbraw/zinc/26/01/63/240260163.db2.gz VPTKGPDRZHZSTC-NVXWUHKLSA-N 1 0 308.422 3.282 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449557068 240287348 /nfs/dbraw/zinc/28/73/48/240287348.db2.gz UETIWQGXUWGIEH-YZUVHJKWSA-N 1 0 316.401 3.091 20 5 DGBDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449566155 240291915 /nfs/dbraw/zinc/29/19/15/240291915.db2.gz MUSZVXYBVJRCQP-STQMWFEESA-N 1 0 302.378 3.093 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)C2CCC2)o1 ZINC000449741689 240396105 /nfs/dbraw/zinc/39/61/05/240396105.db2.gz VXZVOLSZVCEOLG-INIZCTEOSA-N 1 0 316.357 3.105 20 5 DGBDRO CC(C)(C)OC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135237914 432106782 /nfs/dbraw/zinc/10/67/82/432106782.db2.gz QEJRTXGGTJIKGN-UHFFFAOYSA-N 1 0 320.389 3.291 20 5 DGBDRO CC[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000091929199 193128316 /nfs/dbraw/zinc/12/83/16/193128316.db2.gz MNDIQLNYEPWGOO-ZDUSSCGKSA-N 1 0 314.389 3.227 20 5 DGBDRO CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000079309398 283878158 /nfs/dbraw/zinc/87/81/58/283878158.db2.gz MKHPIAOLLFCRGX-KBPBESRZSA-N 1 0 321.421 3.279 20 5 DGBDRO C[C@H]([NH2+]CC[S@@](=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000451105730 241005696 /nfs/dbraw/zinc/00/56/96/241005696.db2.gz NAUQRYBVHWCITO-WHEQGISXSA-N 1 0 318.398 3.053 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451495608 241144193 /nfs/dbraw/zinc/14/41/93/241144193.db2.gz JRUSBQZBPHVGTM-BPLDGKMQSA-N 1 0 322.792 3.295 20 5 DGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451502130 241147652 /nfs/dbraw/zinc/14/76/52/241147652.db2.gz PWMHLBUVPLEUPU-HUUCEWRRSA-N 1 0 310.369 3.416 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)cc1 ZINC000451544409 241163889 /nfs/dbraw/zinc/16/38/89/241163889.db2.gz FFRUPPDNNBQICH-NVXWUHKLSA-N 1 0 304.390 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)cc1 ZINC000451559596 241175088 /nfs/dbraw/zinc/17/50/88/241175088.db2.gz HHKWTVDJBMPVLV-WBVHZDCISA-N 1 0 304.390 3.343 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451603848 241185697 /nfs/dbraw/zinc/18/56/97/241185697.db2.gz JYIQKYYWUKVCKX-GOEBONIOSA-N 1 0 324.808 3.135 20 5 DGBDRO CCC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000451438107 241124588 /nfs/dbraw/zinc/12/45/88/241124588.db2.gz MNZGZVYZZLHJRY-XJKSGUPXSA-N 1 0 324.421 3.139 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)CCC1(C)C ZINC000452005720 241297129 /nfs/dbraw/zinc/29/71/29/241297129.db2.gz KIPJYSSUUBCDCQ-GFCCVEGCSA-N 1 0 305.378 3.105 20 5 DGBDRO C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000452183920 241344453 /nfs/dbraw/zinc/34/44/53/241344453.db2.gz PLIQMBCRRIBRBU-KBPBESRZSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453447029 241790415 /nfs/dbraw/zinc/79/04/15/241790415.db2.gz YXQQTELHBZVDIQ-UONOGXRCSA-N 1 0 306.406 3.321 20 5 DGBDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135305488 432111118 /nfs/dbraw/zinc/11/11/18/432111118.db2.gz QZHMKKCKZLSRTC-OAHLLOKOSA-N 1 0 319.405 3.094 20 5 DGBDRO Cn1cc(C[N@H+](C)CC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092217582 193174816 /nfs/dbraw/zinc/17/48/16/193174816.db2.gz GFXMOEAGGYCNGG-UHFFFAOYSA-N 1 0 316.405 3.473 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCn2cc(Cl)cn2)C2CC2)c1 ZINC000459342343 243342142 /nfs/dbraw/zinc/34/21/42/243342142.db2.gz DWHJFGZWENOMSB-UHFFFAOYSA-N 1 0 320.780 3.109 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459766823 243490727 /nfs/dbraw/zinc/49/07/27/243490727.db2.gz PVFHVIIJBADSHO-MPTQWLOMSA-N 1 0 317.389 3.090 20 5 DGBDRO CCCCN(C)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468627931 244056208 /nfs/dbraw/zinc/05/62/08/244056208.db2.gz HTLYAZLLWDBTDW-QINSGFPZSA-N 1 0 305.422 3.320 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)C[C@@H](C)O ZINC000468641734 244056483 /nfs/dbraw/zinc/05/64/83/244056483.db2.gz FMPFBGQGYAMDFF-YLHGKKIISA-N 1 0 306.406 3.385 20 5 DGBDRO CCC(CC)[C@H](O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468655121 244059455 /nfs/dbraw/zinc/05/94/55/244059455.db2.gz GZVUDAFAVRITHM-HOFZKYPUSA-N 1 0 306.406 3.385 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468428522 244041145 /nfs/dbraw/zinc/04/11/45/244041145.db2.gz KLYZKHSUWVJDEC-VBQJREDUSA-N 1 0 308.422 3.303 20 5 DGBDRO C[C@H](CCC1CC1)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000469807322 244124282 /nfs/dbraw/zinc/12/42/82/244124282.db2.gz HKGLEZLTXUNDSU-CHWSQXEVSA-N 1 0 319.405 3.480 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CCC1CC1 ZINC000469810357 244125129 /nfs/dbraw/zinc/12/51/29/244125129.db2.gz WJJMWGZIMGPIMV-QWHCGFSZSA-N 1 0 319.405 3.480 20 5 DGBDRO C/C=C\C[C@H](CO)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000471588377 244220727 /nfs/dbraw/zinc/22/07/27/244220727.db2.gz XQPWWPTZUMALPE-ZVTOYHBXSA-N 1 0 318.417 3.223 20 5 DGBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119196764 284137383 /nfs/dbraw/zinc/13/73/83/284137383.db2.gz VNWYDOXOCMOYIA-CABCVRRESA-N 1 0 312.797 3.374 20 5 DGBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119196877 284137429 /nfs/dbraw/zinc/13/74/29/284137429.db2.gz VNWYDOXOCMOYIA-HUUCEWRRSA-N 1 0 312.797 3.374 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000119359763 284141371 /nfs/dbraw/zinc/14/13/71/284141371.db2.gz NKUJGQYPMXWKQL-WFASDCNBSA-N 1 0 323.824 3.164 20 5 DGBDRO C[C@H](c1cccnc1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000093236690 193220094 /nfs/dbraw/zinc/22/00/94/193220094.db2.gz XGAXOHZYKQQTSB-CQSZACIVSA-N 1 0 315.373 3.452 20 5 DGBDRO CCOC[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093418972 193247744 /nfs/dbraw/zinc/24/77/44/193247744.db2.gz ZHJFSHLQYXTOSC-PPYMECGQSA-N 1 0 304.390 3.357 20 5 DGBDRO Cc1cc(N[C@H]2CCC[C@H]2CCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000274989992 212059973 /nfs/dbraw/zinc/05/99/73/212059973.db2.gz DKPUMUNEDPNPPI-WFASDCNBSA-N 1 0 315.373 3.414 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000121231982 284191664 /nfs/dbraw/zinc/19/16/64/284191664.db2.gz KHUKFDCDSDCZGH-LBPRGKRZSA-N 1 0 322.409 3.001 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[C@H]1C ZINC000488059536 245140866 /nfs/dbraw/zinc/14/08/66/245140866.db2.gz BYILMPXJJSMNBS-MLGOLLRUSA-N 1 0 310.369 3.371 20 5 DGBDRO CCC1CCC([N@H+](CCO)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000488188025 245158691 /nfs/dbraw/zinc/15/86/91/245158691.db2.gz UXZBJIHTZQRREZ-UHFFFAOYSA-N 1 0 306.406 3.358 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)C[NH+](C)C ZINC000488998855 245260725 /nfs/dbraw/zinc/26/07/25/245260725.db2.gz BADKJSTWXTWFCO-GFCCVEGCSA-N 1 0 309.410 3.382 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCC(C(F)F)CC3)nc2c1 ZINC000282467976 217017624 /nfs/dbraw/zinc/01/76/24/217017624.db2.gz WCOOJNXVLCGEKZ-UHFFFAOYSA-N 1 0 324.331 3.385 20 5 DGBDRO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000288225970 220028896 /nfs/dbraw/zinc/02/88/96/220028896.db2.gz NEAFHKUQKXKFAX-DGCLKSJQSA-N 1 0 318.402 3.126 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCSCC2)o1 ZINC000126193411 284297393 /nfs/dbraw/zinc/29/73/93/284297393.db2.gz WTFFLCXBXOUTFF-UHFFFAOYSA-N 1 0 304.371 3.404 20 5 DGBDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000266132569 205124083 /nfs/dbraw/zinc/12/40/83/205124083.db2.gz DMXSVYMOWDYUJB-KRWDZBQOSA-N 1 0 318.373 3.110 20 5 DGBDRO COc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000127961557 284359137 /nfs/dbraw/zinc/35/91/37/284359137.db2.gz SPZPROCFIRCRDD-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO Cc1cccc2oc(CC[NH2+]Cc3csc([N+](=O)[O-])c3)nc21 ZINC000266324538 205268279 /nfs/dbraw/zinc/26/82/79/205268279.db2.gz SYIUJLLKNKNMBW-UHFFFAOYSA-N 1 0 317.370 3.438 20 5 DGBDRO CCc1ccc(C(=O)NCCCC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000266882166 205645519 /nfs/dbraw/zinc/64/55/19/205645519.db2.gz CIDYIPDWPUSRQJ-UHFFFAOYSA-N 1 0 321.421 3.009 20 5 DGBDRO CCC(O)(CC)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129985148 284429016 /nfs/dbraw/zinc/42/90/16/284429016.db2.gz BLBDYEYBBVQGBF-HOCLYGCPSA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267392626 206034046 /nfs/dbraw/zinc/03/40/46/206034046.db2.gz DFCWAPOCDDGTEJ-ZJUUUORDSA-N 1 0 306.284 3.213 20 5 DGBDRO CCc1ccc([C@H]([NH2+]CCCCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000494528406 246159987 /nfs/dbraw/zinc/15/99/87/246159987.db2.gz LRPMOQPQNDRTAG-QGZVFWFLSA-N 1 0 318.373 3.202 20 5 DGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000494476792 246153131 /nfs/dbraw/zinc/15/31/31/246153131.db2.gz PNILMBQMLQFONM-ZANVPECISA-N 1 0 318.295 3.271 20 5 DGBDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151153594 284551831 /nfs/dbraw/zinc/55/18/31/284551831.db2.gz SXTWOIWWOTXTHV-NSHDSACASA-N 1 0 302.378 3.104 20 5 DGBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000284850853 218205964 /nfs/dbraw/zinc/20/59/64/218205964.db2.gz ACHPTBJJQMEQCL-BPLDGKMQSA-N 1 0 321.421 3.421 20 5 DGBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000284850850 218206403 /nfs/dbraw/zinc/20/64/03/218206403.db2.gz ACHPTBJJQMEQCL-AEGPPILISA-N 1 0 321.421 3.421 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000284874718 218216345 /nfs/dbraw/zinc/21/63/45/218216345.db2.gz BBRJZGCQWINULT-SNVBAGLBSA-N 1 0 319.336 3.176 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000284929710 218238105 /nfs/dbraw/zinc/23/81/05/218238105.db2.gz YEXFROUKURQJLW-UHFFFAOYSA-N 1 0 304.390 3.030 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285081852 218282827 /nfs/dbraw/zinc/28/28/27/218282827.db2.gz JOTLQDLFKABCJD-GFCCVEGCSA-N 1 0 314.389 3.094 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000106466844 194218523 /nfs/dbraw/zinc/21/85/23/194218523.db2.gz QHHRKOTWNWUXKV-CYBMUJFWSA-N 1 0 302.330 3.364 20 5 DGBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285266022 218358964 /nfs/dbraw/zinc/35/89/64/218358964.db2.gz QPDASYWDOHSVPQ-UWVGGRQHSA-N 1 0 318.377 3.236 20 5 DGBDRO [NH3+]C1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000051693696 183834654 /nfs/dbraw/zinc/83/46/54/183834654.db2.gz PLJRXRDRRQGRAG-UHFFFAOYSA-N 1 0 314.183 3.039 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000268847027 207012305 /nfs/dbraw/zinc/01/23/05/207012305.db2.gz FCEMVAAWSTZHJD-ZDUSSCGKSA-N 1 0 300.358 3.246 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1ccco1 ZINC000268869588 207039991 /nfs/dbraw/zinc/03/99/91/207039991.db2.gz HFUICPHBGVMEQB-DYVFJYSZSA-N 1 0 318.373 3.006 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268890115 207061250 /nfs/dbraw/zinc/06/12/50/207061250.db2.gz CRKQDONYGPDEKC-YOEHRIQHSA-N 1 0 320.433 3.304 20 5 DGBDRO O=C(C[N@@H+]1CCC[C@H]1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000055928081 184001180 /nfs/dbraw/zinc/00/11/80/184001180.db2.gz MADXTJWZDVINRL-HNNXBMFYSA-N 1 0 317.389 3.188 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnn(-c3ccccc3)c2)cc1 ZINC000058093275 184074482 /nfs/dbraw/zinc/07/44/82/184074482.db2.gz PUHOULBPERIRQX-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000268985231 207141968 /nfs/dbraw/zinc/14/19/68/207141968.db2.gz LMGMFBYRWBBJOU-SWLSCSKDSA-N 1 0 304.346 3.189 20 5 DGBDRO Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000246846484 284925069 /nfs/dbraw/zinc/92/50/69/284925069.db2.gz BWBPSHVECWOKHP-NUEKZKHPSA-N 1 0 305.422 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000065532659 184361643 /nfs/dbraw/zinc/36/16/43/184361643.db2.gz GXQYEOXZIBJNLJ-UHFFFAOYSA-N 1 0 304.371 3.093 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000245507022 207659017 /nfs/dbraw/zinc/65/90/17/207659017.db2.gz PAXJZNGAUIJTPT-AGIUHOORSA-N 1 0 310.394 3.051 20 5 DGBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000248728553 285020339 /nfs/dbraw/zinc/02/03/39/285020339.db2.gz NSQMKFIYLQDCIT-MGPQQGTHSA-N 1 0 322.405 3.093 20 5 DGBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626942 207695316 /nfs/dbraw/zinc/69/53/16/207695316.db2.gz DCMQSUGNNIYSBJ-DLTLXFJOSA-N 1 0 304.390 3.281 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000119762681 195031339 /nfs/dbraw/zinc/03/13/39/195031339.db2.gz YVEKLGUPDNMRKW-OAHLLOKOSA-N 1 0 319.405 3.400 20 5 DGBDRO CO[C@@](C)([C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414499098 533004548 /nfs/dbraw/zinc/00/45/48/533004548.db2.gz JHODXHWOSXNEQR-RPOJPGLXSA-N 1 0 304.390 3.401 20 5 DGBDRO COc1ccc(OCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000441193200 533013748 /nfs/dbraw/zinc/01/37/48/533013748.db2.gz HGLHERVCCAPEAA-UHFFFAOYSA-N 1 0 308.378 3.247 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000336866745 253013910 /nfs/dbraw/zinc/01/39/10/253013910.db2.gz ODAGZWLEROGSJA-WFASDCNBSA-N 1 0 314.341 3.085 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1C ZINC000336854810 253008523 /nfs/dbraw/zinc/00/85/23/253008523.db2.gz RTLFJRGMBOPLKN-VXGBXAGGSA-N 1 0 300.362 3.038 20 5 DGBDRO CC1=CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000270126193 208184049 /nfs/dbraw/zinc/18/40/49/208184049.db2.gz GLIABZRGJLTUTK-UHFFFAOYSA-N 1 0 313.357 3.444 20 5 DGBDRO CC(C)(C)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000337192363 253059882 /nfs/dbraw/zinc/05/98/82/253059882.db2.gz UQSKYAZGRRJQCY-CYBMUJFWSA-N 1 0 306.410 3.302 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000337283754 253078216 /nfs/dbraw/zinc/07/82/16/253078216.db2.gz JBECKTADIPALEZ-QWHCGFSZSA-N 1 0 300.305 3.153 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@@H]2OC(F)F)c(F)c1 ZINC000337294807 253080450 /nfs/dbraw/zinc/08/04/50/253080450.db2.gz PNUCFNFGCIRBJM-STQMWFEESA-N 1 0 318.295 3.374 20 5 DGBDRO C[C@@H]1C[C@H](C)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337318906 253085912 /nfs/dbraw/zinc/08/59/12/253085912.db2.gz NFVPUDKIDQTHEK-ZIAGYGMSSA-N 1 0 319.405 3.291 20 5 DGBDRO C[C@H](C1CC1)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000337321753 253087167 /nfs/dbraw/zinc/08/71/67/253087167.db2.gz CNXNCGFXIZQJPF-GFCCVEGCSA-N 1 0 317.389 3.186 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420258187 285088174 /nfs/dbraw/zinc/08/81/74/285088174.db2.gz JSMBPACPOYFEQS-LDYMZIIASA-N 1 0 316.188 3.090 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451495609 285088975 /nfs/dbraw/zinc/08/89/75/285088975.db2.gz JRUSBQZBPHVGTM-CFVMTHIKSA-N 1 0 322.792 3.295 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000337345176 253092422 /nfs/dbraw/zinc/09/24/22/253092422.db2.gz ZYWAXVGEWUUMDD-CYBMUJFWSA-N 1 0 307.394 3.290 20 5 DGBDRO CC(C)c1ccc(CN2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000338173154 253236241 /nfs/dbraw/zinc/23/62/41/253236241.db2.gz ACAFSYMPLLYPOS-UHFFFAOYSA-N 1 0 317.433 3.246 20 5 DGBDRO Cc1cccc2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cn21 ZINC000338375374 253275942 /nfs/dbraw/zinc/27/59/42/253275942.db2.gz DRRBOWHXJDYQHQ-UHFFFAOYSA-N 1 0 324.384 3.225 20 5 DGBDRO Cc1nccn1CCCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344349 253269481 /nfs/dbraw/zinc/26/94/81/253269481.db2.gz BWAISHOKLYXUIH-UHFFFAOYSA-N 1 0 316.405 3.054 20 5 DGBDRO Cc1cc(NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338664477 253330063 /nfs/dbraw/zinc/33/00/63/253330063.db2.gz NIHHCYNOUHRJHE-SNVBAGLBSA-N 1 0 317.311 3.286 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000338728658 253342907 /nfs/dbraw/zinc/34/29/07/253342907.db2.gz ZSIUDVHDEGTNNH-CJNGLKHVSA-N 1 0 300.362 3.189 20 5 DGBDRO Cc1cccn2c(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cnc12 ZINC000338953074 253377782 /nfs/dbraw/zinc/37/77/82/253377782.db2.gz CQPHYPNYJNGVIZ-UHFFFAOYSA-N 1 0 324.384 3.225 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000336860280 285153342 /nfs/dbraw/zinc/15/33/42/285153342.db2.gz PKHFOFZJNCERQB-XFJVYGCCSA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000157956796 197229776 /nfs/dbraw/zinc/22/97/76/197229776.db2.gz JHNIRIRMCRWJDM-INIZCTEOSA-N 1 0 318.352 3.061 20 5 DGBDRO CC[C@H](C)[NH2+][C@@H](CNc1ncccc1[N+](=O)[O-])c1ccco1 ZINC000343245827 254119526 /nfs/dbraw/zinc/11/95/26/254119526.db2.gz CRKMRSHHWPIVDD-RYUDHWBXSA-N 1 0 304.350 3.124 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000343262022 254121430 /nfs/dbraw/zinc/12/14/30/254121430.db2.gz VRXURFLZYXLVAJ-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO CC[C@H](C)[NH2+][C@H](CNc1ncc(C)cc1[N+](=O)[O-])c1ccco1 ZINC000343267419 254121664 /nfs/dbraw/zinc/12/16/64/254121664.db2.gz UXHNSDZWWQKDKI-QWHCGFSZSA-N 1 0 318.377 3.433 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[C@H]2C2CCC2)n1 ZINC000424288803 285169794 /nfs/dbraw/zinc/16/97/94/285169794.db2.gz JJQIVEVLXMUNJN-JONQDZQNSA-N 1 0 318.421 3.301 20 5 DGBDRO C[C@@H]1[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343424069 254141592 /nfs/dbraw/zinc/14/15/92/254141592.db2.gz CIDIWZACOJMOLC-DGCLKSJQSA-N 1 0 300.362 3.038 20 5 DGBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000343886763 254199956 /nfs/dbraw/zinc/19/99/56/254199956.db2.gz LFDQBZCMFDSMRQ-UHFFFAOYSA-N 1 0 308.378 3.067 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344061832 254219522 /nfs/dbraw/zinc/21/95/22/254219522.db2.gz MUORRQJMYLGXTL-ZIAGYGMSSA-N 1 0 317.389 3.210 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1scnc1C1CC1 ZINC000344098928 254224691 /nfs/dbraw/zinc/22/46/91/254224691.db2.gz XWCONJICJALUDJ-UHFFFAOYSA-N 1 0 303.387 3.261 20 5 DGBDRO CC[C@]1(C)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000344275488 254249238 /nfs/dbraw/zinc/24/92/38/254249238.db2.gz SVZQGLRSLNGHJF-MRXNPFEDSA-N 1 0 316.361 3.267 20 5 DGBDRO CC[C@]1(C)CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344293927 254252350 /nfs/dbraw/zinc/25/23/50/254252350.db2.gz YWRDKEMURMVGJK-QGZVFWFLSA-N 1 0 319.405 3.354 20 5 DGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000344437922 254270715 /nfs/dbraw/zinc/27/07/15/254270715.db2.gz RLDYZNBQFIVRHG-UHFFFAOYSA-N 1 0 314.389 3.078 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc2c(c1)COC2 ZINC000344960468 254319132 /nfs/dbraw/zinc/31/91/32/254319132.db2.gz DEDYAAYEHBWCAH-HWKANZROSA-N 1 0 310.353 3.428 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000156372508 197107986 /nfs/dbraw/zinc/10/79/86/197107986.db2.gz UMOXXBQUMAUDAQ-HNNXBMFYSA-N 1 0 316.405 3.457 20 5 DGBDRO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000155211949 197033151 /nfs/dbraw/zinc/03/31/51/197033151.db2.gz VIIYPVONFZBUGF-UWTIGNOOSA-N 1 0 319.405 3.001 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000154965937 197008775 /nfs/dbraw/zinc/00/87/75/197008775.db2.gz RDQKKHJIOAWJMG-CQSZACIVSA-N 1 0 302.378 3.149 20 5 DGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCC1CCOCC1 ZINC000120365664 195152711 /nfs/dbraw/zinc/15/27/11/195152711.db2.gz XJLQQUYMBSZLGL-UHFFFAOYSA-N 1 0 322.405 3.112 20 5 DGBDRO C[C@H](CCCO)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000294687860 224168321 /nfs/dbraw/zinc/16/83/21/224168321.db2.gz CBUGPIUWIFZCHN-CYBMUJFWSA-N 1 0 318.373 3.353 20 5 DGBDRO C[C@H](CCCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000294802536 224231029 /nfs/dbraw/zinc/23/10/29/224231029.db2.gz NBXDWIUBOYNNRO-CYBMUJFWSA-N 1 0 318.373 3.353 20 5 DGBDRO COc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000295003482 533211290 /nfs/dbraw/zinc/21/12/90/533211290.db2.gz LMXSMAHLROQVBR-UHFFFAOYSA-N 1 0 321.764 3.250 20 5 DGBDRO Cc1cc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000271605255 209053270 /nfs/dbraw/zinc/05/32/70/209053270.db2.gz JASSTUODFUVHAK-UHFFFAOYSA-N 1 0 300.362 3.006 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CO)cc1[N+](=O)[O-] ZINC000305125511 285291386 /nfs/dbraw/zinc/29/13/86/285291386.db2.gz LAWLEFBXOMERHY-CYBMUJFWSA-N 1 0 300.358 3.246 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC(C)(C)CC1 ZINC000434710930 533218397 /nfs/dbraw/zinc/21/83/97/533218397.db2.gz KWZOHTIWRRFYOY-UHFFFAOYSA-N 1 0 310.419 3.321 20 5 DGBDRO C[C@H](CCCO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000294849943 224264423 /nfs/dbraw/zinc/26/44/23/224264423.db2.gz RYVSGFWTEAOFPM-CYBMUJFWSA-N 1 0 318.373 3.353 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289661896 221137239 /nfs/dbraw/zinc/13/72/39/221137239.db2.gz UJQJMLCJZHETET-SJORKVTESA-N 1 0 316.401 3.171 20 5 DGBDRO C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)OCCc2sccc21 ZINC000289869196 221281079 /nfs/dbraw/zinc/28/10/79/221281079.db2.gz QZRSQCCREKBWRP-MRXNPFEDSA-N 1 0 318.398 3.234 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000290037889 221394682 /nfs/dbraw/zinc/39/46/82/221394682.db2.gz SHPRPCOMNJREAN-GFCCVEGCSA-N 1 0 322.409 3.062 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271620889 209067460 /nfs/dbraw/zinc/06/74/60/209067460.db2.gz DCGKBXHYPGLJQF-SUMWQHHRSA-N 1 0 300.358 3.287 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000470203261 533383607 /nfs/dbraw/zinc/38/36/07/533383607.db2.gz PMBTZDNZAVEMTE-MQJVFOOVSA-N 1 0 314.389 3.425 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000470203262 533383721 /nfs/dbraw/zinc/38/37/21/533383721.db2.gz PMBTZDNZAVEMTE-YLHGKKIISA-N 1 0 314.389 3.425 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000468616104 533384672 /nfs/dbraw/zinc/38/46/72/533384672.db2.gz AZSACAYUEQYWFP-GDKQZQJFSA-N 1 0 304.390 3.139 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[N@@H+](C(C)C)CC1 ZINC000470172900 533406665 /nfs/dbraw/zinc/40/66/65/533406665.db2.gz FDVFUWQEQDSQFW-FOWTUZBSSA-N 1 0 317.433 3.414 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C2CCC2)CC1 ZINC000470173937 533406796 /nfs/dbraw/zinc/40/67/96/533406796.db2.gz PEBVXNDKARGHDK-NTCAYCPXSA-N 1 0 315.417 3.168 20 5 DGBDRO COc1ccccc1C[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000119778971 132136798 /nfs/dbraw/zinc/13/67/98/132136798.db2.gz YBGVKMFUTKGZSX-CYBMUJFWSA-N 1 0 300.358 3.324 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccccc1O ZINC000595042876 400086860 /nfs/dbraw/zinc/08/68/60/400086860.db2.gz TUNQXJZJKRTVLC-LBPRGKRZSA-N 1 0 316.357 3.202 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056569 400092495 /nfs/dbraw/zinc/09/24/95/400092495.db2.gz MIBKTMMGCBCJRO-OLZOCXBDSA-N 1 0 321.421 3.127 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000595056433 400093399 /nfs/dbraw/zinc/09/33/99/400093399.db2.gz HGIXEBUPYNVNNQ-HOCLYGCPSA-N 1 0 319.449 3.378 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000595068395 400097137 /nfs/dbraw/zinc/09/71/37/400097137.db2.gz OKSWXNDEVNWUIW-WBMJQRKESA-N 1 0 304.390 3.113 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000595068392 400097214 /nfs/dbraw/zinc/09/72/14/400097214.db2.gz OKSWXNDEVNWUIW-BLLLJJGKSA-N 1 0 304.390 3.113 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595075557 400100427 /nfs/dbraw/zinc/10/04/27/400100427.db2.gz YWXORDBHDBDHEA-POUQZMQPSA-N 1 0 324.446 3.325 20 5 DGBDRO CCC[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000595088658 400102742 /nfs/dbraw/zinc/10/27/42/400102742.db2.gz KXLPHSCGYVDOFG-WMLDXEAASA-N 1 0 306.406 3.434 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)CC1CC1)CCCC2 ZINC000595089402 400102803 /nfs/dbraw/zinc/10/28/03/400102803.db2.gz OFGQXHFUVIPMAP-KBXCAEBGSA-N 1 0 318.417 3.361 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000595108523 400108857 /nfs/dbraw/zinc/10/88/57/400108857.db2.gz RJIOMNXCPZTETH-QWHCGFSZSA-N 1 0 302.378 3.000 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000007783671 400108872 /nfs/dbraw/zinc/10/88/72/400108872.db2.gz XIMCLGLTFQQWRZ-ZDUSSCGKSA-N 1 0 313.357 3.193 20 5 DGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC000091407480 400116046 /nfs/dbraw/zinc/11/60/46/400116046.db2.gz FSRMLQNHCJVJJB-CYBMUJFWSA-N 1 0 324.384 3.375 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)C1CCCCC1 ZINC000595025482 400080394 /nfs/dbraw/zinc/08/03/94/400080394.db2.gz HXPRUPDGERZAQJ-MLGOLLRUSA-N 1 0 322.405 3.195 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000595027832 400081843 /nfs/dbraw/zinc/08/18/43/400081843.db2.gz UALOCXUQXDRSAD-HUBLWGQQSA-N 1 0 308.378 3.069 20 5 DGBDRO CC(C)n1cc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000090910246 400082666 /nfs/dbraw/zinc/08/26/66/400082666.db2.gz DFXUYTAQXOHYSN-ZDUSSCGKSA-N 1 0 302.378 3.266 20 5 DGBDRO CC(C)[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CC1 ZINC000584854529 400117067 /nfs/dbraw/zinc/11/70/67/400117067.db2.gz YSYDLEVVXAATGA-UHFFFAOYSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[NH2+]1 ZINC000092456983 400174053 /nfs/dbraw/zinc/17/40/53/400174053.db2.gz UJSJUAXVNINAKL-GFCCVEGCSA-N 1 0 317.414 3.117 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000595295545 400119930 /nfs/dbraw/zinc/11/99/30/400119930.db2.gz GXXCAAAFOIFEEM-HNNXBMFYSA-N 1 0 315.373 3.488 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595318719 400125371 /nfs/dbraw/zinc/12/53/71/400125371.db2.gz VMFCIBFKRNVJCL-OAHLLOKOSA-N 1 0 315.373 3.346 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000066887575 400128337 /nfs/dbraw/zinc/12/83/37/400128337.db2.gz HSUZPWRQFGQAIO-UHFFFAOYSA-N 1 0 308.284 3.042 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000595329711 400128857 /nfs/dbraw/zinc/12/88/57/400128857.db2.gz AXRADBRQLQLQKJ-QDMKHBRRSA-N 1 0 316.401 3.484 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000595328708 400129153 /nfs/dbraw/zinc/12/91/53/400129153.db2.gz YWKYDOTZCDTLIJ-AWEZNQCLSA-N 1 0 321.396 3.042 20 5 DGBDRO Cc1noc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595338203 400131129 /nfs/dbraw/zinc/13/11/29/400131129.db2.gz HERWCDIDEWGRNZ-LBPRGKRZSA-N 1 0 305.309 3.020 20 5 DGBDRO CO[C@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCC1 ZINC000595387050 400138354 /nfs/dbraw/zinc/13/83/54/400138354.db2.gz NGIQGUZLQNITPP-QGZVFWFLSA-N 1 0 304.390 3.374 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595436990 400150174 /nfs/dbraw/zinc/15/01/74/400150174.db2.gz BYEQQQNFFPWBLL-QGZVFWFLSA-N 1 0 315.373 3.488 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000609234766 400152772 /nfs/dbraw/zinc/15/27/72/400152772.db2.gz LQLTZGDNOMIRTC-RISCZKNCSA-N 1 0 307.394 3.336 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCC2)CC1 ZINC000586783111 400154289 /nfs/dbraw/zinc/15/42/89/400154289.db2.gz YXJMSRIZTKZYKC-CYBMUJFWSA-N 1 0 317.389 3.188 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000318243432 400156092 /nfs/dbraw/zinc/15/60/92/400156092.db2.gz JHODPCNOYOTSLB-BMFZPTHFSA-N 1 0 304.390 3.196 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1-c1ccc([C@@H]2COCC[NH2+]2)cc1 ZINC000600791390 400157168 /nfs/dbraw/zinc/15/71/68/400157168.db2.gz ZNARZTOCMZTMLP-HNNXBMFYSA-N 1 0 302.305 3.062 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC000586789318 400157652 /nfs/dbraw/zinc/15/76/52/400157652.db2.gz CKSUITIPTFBILL-JTQLQIEISA-N 1 0 313.313 3.292 20 5 DGBDRO CCn1ccc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000616785300 400222352 /nfs/dbraw/zinc/22/23/52/400222352.db2.gz MKWOEINWXJZNGM-UHFFFAOYSA-N 1 0 317.389 3.317 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000068045563 400227124 /nfs/dbraw/zinc/22/71/24/400227124.db2.gz ABEWPTSXDCXXTF-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DGBDRO C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000610420457 400255860 /nfs/dbraw/zinc/25/58/60/400255860.db2.gz LRHBZSQINXTVTF-CQSZACIVSA-N 1 0 311.385 3.261 20 5 DGBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000610420554 400256076 /nfs/dbraw/zinc/25/60/76/400256076.db2.gz QZMNURMLIRRBJB-KEYYUXOJSA-N 1 0 314.385 3.410 20 5 DGBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccsc2[N+](=O)[O-])cc1 ZINC000601134732 400244365 /nfs/dbraw/zinc/24/43/65/400244365.db2.gz KXQPCIVSERUVSC-OAHLLOKOSA-N 1 0 321.402 3.037 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601151164 400250150 /nfs/dbraw/zinc/25/01/50/400250150.db2.gz QPJPWRDTVXYYPA-TVQRCGJNSA-N 1 0 320.311 3.120 20 5 DGBDRO CCCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610367640 400250657 /nfs/dbraw/zinc/25/06/57/400250657.db2.gz LRVBELZIKDDCNR-CYBMUJFWSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@H]1C[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000610370635 400252720 /nfs/dbraw/zinc/25/27/20/400252720.db2.gz FGCAFYQFRGZVQO-STQMWFEESA-N 1 0 310.419 3.190 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000595602898 400200507 /nfs/dbraw/zinc/20/05/07/400200507.db2.gz XXGQZVQRCDGGOM-GFCCVEGCSA-N 1 0 323.393 3.052 20 5 DGBDRO CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)OC(C)(C)C ZINC000610012698 400207391 /nfs/dbraw/zinc/20/73/91/400207391.db2.gz AMBYWRXIOSZZDP-GFCCVEGCSA-N 1 0 308.378 3.147 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2ccco2)CC1 ZINC000595618356 400208600 /nfs/dbraw/zinc/20/86/00/400208600.db2.gz OCKSFUWFPPWKLT-UHFFFAOYSA-N 1 0 316.357 3.446 20 5 DGBDRO CCC(C)(C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595642763 400216534 /nfs/dbraw/zinc/21/65/34/400216534.db2.gz SVAJFELJNRQGNA-LBPRGKRZSA-N 1 0 307.394 3.338 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595808258 400265041 /nfs/dbraw/zinc/26/50/41/400265041.db2.gz BQQNZVMVCOKDTE-RAIGVLPGSA-N 1 0 314.345 3.048 20 5 DGBDRO CC1([NH+]2CCCC2)CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000601216146 400265332 /nfs/dbraw/zinc/26/53/32/400265332.db2.gz ODKUZSKVRVXYTL-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO Cn1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000589184940 400270776 /nfs/dbraw/zinc/27/07/76/400270776.db2.gz COUPVXXMPUJATD-UHFFFAOYSA-N 1 0 324.384 3.156 20 5 DGBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000589188961 400272240 /nfs/dbraw/zinc/27/22/40/400272240.db2.gz WQUXMLLCQLVBFC-PAYVPJBWSA-N 1 0 315.417 3.165 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000601272764 400280942 /nfs/dbraw/zinc/28/09/42/400280942.db2.gz KMZKUOOCBNSVBM-ULQDDVLXSA-N 1 0 316.401 3.075 20 5 DGBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000589276243 400284004 /nfs/dbraw/zinc/28/40/04/400284004.db2.gz RCMZRCBTXXNAFZ-GFCCVEGCSA-N 1 0 314.332 3.341 20 5 DGBDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000589327545 400288759 /nfs/dbraw/zinc/28/87/59/400288759.db2.gz SDZCIBKOAIGSSN-AWEZNQCLSA-N 1 0 316.332 3.136 20 5 DGBDRO CC[C@@H](C)[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000610680859 400290844 /nfs/dbraw/zinc/29/08/44/400290844.db2.gz OYGAXGHQLGLVBK-CQSZACIVSA-N 1 0 316.405 3.400 20 5 DGBDRO CC[C@H](C)[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000610680858 400291025 /nfs/dbraw/zinc/29/10/25/400291025.db2.gz OYGAXGHQLGLVBK-AWEZNQCLSA-N 1 0 316.405 3.400 20 5 DGBDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000610788112 400306172 /nfs/dbraw/zinc/30/61/72/400306172.db2.gz WXAOGHBJZCPMNU-KRWDZBQOSA-N 1 0 314.389 3.047 20 5 DGBDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000610788113 400306199 /nfs/dbraw/zinc/30/61/99/400306199.db2.gz WXAOGHBJZCPMNU-QGZVFWFLSA-N 1 0 314.389 3.047 20 5 DGBDRO Cc1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000596059562 400306290 /nfs/dbraw/zinc/30/62/90/400306290.db2.gz QIJNUHWIHWFRRD-KRWDZBQOSA-N 1 0 317.433 3.115 20 5 DGBDRO C[NH+](C)C1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596079378 400311079 /nfs/dbraw/zinc/31/10/79/400311079.db2.gz PGEWOXNOIVTHEQ-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO COc1cc(N[C@H]2CC[N@@H+](C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596095103 400316831 /nfs/dbraw/zinc/31/68/31/400316831.db2.gz XZPCFDZUYPEGJO-JTQLQIEISA-N 1 0 313.785 3.151 20 5 DGBDRO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000030142740 400321046 /nfs/dbraw/zinc/32/10/46/400321046.db2.gz ILOIKOXPQIDPRE-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000026468698 400257530 /nfs/dbraw/zinc/25/75/30/400257530.db2.gz ALTSKPGOPXCWJN-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1cc(N2CCC(C[NH+]3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000610430865 400257581 /nfs/dbraw/zinc/25/75/81/400257581.db2.gz NABNHRBMUDLULR-UHFFFAOYSA-N 1 0 318.421 3.001 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000595785606 400260054 /nfs/dbraw/zinc/26/00/54/400260054.db2.gz FQZSXGCRFWCMAH-SFHVURJKSA-N 1 0 318.417 3.418 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CC1 ZINC000611337461 400379728 /nfs/dbraw/zinc/37/97/28/400379728.db2.gz KUJAABWCZCJCPN-KBPBESRZSA-N 1 0 324.446 3.216 20 5 DGBDRO CCOc1cc(C[N@H+](C)Cc2ccn(CC)c2)ccc1[N+](=O)[O-] ZINC000617228060 400334155 /nfs/dbraw/zinc/33/41/55/400334155.db2.gz RVFZIWCXGLEESF-UHFFFAOYSA-N 1 0 317.389 3.447 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CO)CC3CC3)o2)c1 ZINC000611108269 400345886 /nfs/dbraw/zinc/34/58/86/400345886.db2.gz UNZJPAACSRCYQW-AWEZNQCLSA-N 1 0 316.357 3.105 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000111398506 400363521 /nfs/dbraw/zinc/36/35/21/400363521.db2.gz ZJNDIPFHVZWICN-JKSUJKDBSA-N 1 0 312.369 3.497 20 5 DGBDRO C[C@H]([N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(C)C ZINC000611257179 400366797 /nfs/dbraw/zinc/36/67/97/400366797.db2.gz DVZNDMCDNNFKCG-NSHDSACASA-N 1 0 308.378 3.232 20 5 DGBDRO CC[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCOC1 ZINC000590177164 400367895 /nfs/dbraw/zinc/36/78/95/400367895.db2.gz SESYTSFSCDDBOB-CYBMUJFWSA-N 1 0 318.295 3.272 20 5 DGBDRO C[C@@H]1COCCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611272369 400371026 /nfs/dbraw/zinc/37/10/26/400371026.db2.gz CMOBIKNACOPEKA-CYBMUJFWSA-N 1 0 316.357 3.466 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000596309374 400376947 /nfs/dbraw/zinc/37/69/47/400376947.db2.gz ZZRLHLLXEPMDFC-GFCCVEGCSA-N 1 0 314.389 3.428 20 5 DGBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000590599339 400401193 /nfs/dbraw/zinc/40/11/93/400401193.db2.gz AJSHIAJRYRHXHT-ICCXJUOJSA-N 1 0 320.311 3.193 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000041887682 400415675 /nfs/dbraw/zinc/41/56/75/400415675.db2.gz MNZWDNUUIYJAJG-UHFFFAOYSA-N 1 0 319.386 3.117 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1cocn1 ZINC000611473897 400407759 /nfs/dbraw/zinc/40/77/59/400407759.db2.gz BJIPQSPJZLLKMA-DOMZBBRYSA-N 1 0 301.346 3.084 20 5 DGBDRO CC[C@@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000590646540 400408384 /nfs/dbraw/zinc/40/83/84/400408384.db2.gz MGLDHTAWAMFCNY-DOTOQJQBSA-N 1 0 306.406 3.465 20 5 DGBDRO CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000596516000 400436002 /nfs/dbraw/zinc/43/60/02/400436002.db2.gz BLHGLGNTASGSKJ-NSHDSACASA-N 1 0 315.320 3.092 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570024 400446382 /nfs/dbraw/zinc/44/63/82/400446382.db2.gz HCFIRRPAAFVLKP-GFCCVEGCSA-N 1 0 324.812 3.177 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000611696832 400438107 /nfs/dbraw/zinc/43/81/07/400438107.db2.gz YYIUXNWZYKCBFY-MRXNPFEDSA-N 1 0 320.368 3.226 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccccc1)C(C)C ZINC000611697096 400438186 /nfs/dbraw/zinc/43/81/86/400438186.db2.gz HRBNRMVVLFZERI-INIZCTEOSA-N 1 0 302.378 3.087 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000121074820 400451652 /nfs/dbraw/zinc/45/16/52/400451652.db2.gz LKTUENCDCUCMJJ-CVEARBPZSA-N 1 0 304.390 3.374 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602568919 400499198 /nfs/dbraw/zinc/49/91/98/400499198.db2.gz PGTPRUVQOFAANG-XJKSGUPXSA-N 1 0 318.421 3.127 20 5 DGBDRO CC(C)C([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000602574834 400501759 /nfs/dbraw/zinc/50/17/59/400501759.db2.gz DXILAKLJFOMPTR-UHFFFAOYSA-N 1 0 320.437 3.229 20 5 DGBDRO CCC(C)(C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000074320688 400505810 /nfs/dbraw/zinc/50/58/10/400505810.db2.gz AUAZBGZJYDTNDV-UHFFFAOYSA-N 1 0 307.394 3.352 20 5 DGBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602610355 400510643 /nfs/dbraw/zinc/51/06/43/400510643.db2.gz TWIVCLJGQGEWLJ-VXGBXAGGSA-N 1 0 319.361 3.031 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000596639627 400468285 /nfs/dbraw/zinc/46/82/85/400468285.db2.gz XZFWCRYABJXTBW-UHFFFAOYSA-N 1 0 322.409 3.145 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972159 400471868 /nfs/dbraw/zinc/47/18/68/400471868.db2.gz MKYPGXPKQNCACV-LTPTVGFGSA-N 1 0 302.374 3.109 20 5 DGBDRO CCc1ccc([C@@H](N[C@@H](C)C[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000596655637 400473008 /nfs/dbraw/zinc/47/30/08/400473008.db2.gz ZBZGMZVFFWLOJI-SJCJKPOMSA-N 1 0 317.389 3.037 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCc2nc3ccccc3[nH]2)cc1 ZINC000602533938 400490893 /nfs/dbraw/zinc/49/08/93/400490893.db2.gz ZRQOIIDTWZQBDP-UHFFFAOYSA-N 1 0 324.384 3.236 20 5 DGBDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602555547 400495253 /nfs/dbraw/zinc/49/52/53/400495253.db2.gz IIIMOUCXWZXHSS-CYBMUJFWSA-N 1 0 320.311 3.110 20 5 DGBDRO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000602629843 400517858 /nfs/dbraw/zinc/51/78/58/400517858.db2.gz JNLYQQDIWXXQMW-VXGBXAGGSA-N 1 0 317.393 3.120 20 5 DGBDRO Cc1cc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000074725949 400530219 /nfs/dbraw/zinc/53/02/19/400530219.db2.gz BESMTECMAVFYAX-HNNXBMFYSA-N 1 0 318.352 3.152 20 5 DGBDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602670931 400532304 /nfs/dbraw/zinc/53/23/04/400532304.db2.gz FYGNMYUSOYEVHS-SNVBAGLBSA-N 1 0 320.311 3.112 20 5 DGBDRO Cc1cc(NC[C@H](C)[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000074750238 400532402 /nfs/dbraw/zinc/53/24/02/400532402.db2.gz AQBZMFVGHXHKHN-AWEZNQCLSA-N 1 0 314.389 3.231 20 5 DGBDRO Cc1nocc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000602675303 400535094 /nfs/dbraw/zinc/53/50/94/400535094.db2.gz LXVZVTBZULMCOK-BBRMVZONSA-N 1 0 315.373 3.392 20 5 DGBDRO C[C@H](CCCCO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602679600 400536357 /nfs/dbraw/zinc/53/63/57/400536357.db2.gz RACJYIWQTSHTPO-SNVBAGLBSA-N 1 0 320.311 3.254 20 5 DGBDRO COCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000602680029 400536981 /nfs/dbraw/zinc/53/69/81/400536981.db2.gz CJGWQGKOMXCVKE-UHFFFAOYSA-N 1 0 319.361 3.032 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000602803733 400579087 /nfs/dbraw/zinc/57/90/87/400579087.db2.gz DAVHDTTVZJXGEW-ZDUSSCGKSA-N 1 0 302.378 3.067 20 5 DGBDRO CC(C)[C@H]1[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000602692812 400541153 /nfs/dbraw/zinc/54/11/53/400541153.db2.gz YVABSTRQTCENMH-QGZVFWFLSA-N 1 0 318.417 3.274 20 5 DGBDRO CCSC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602713402 400549308 /nfs/dbraw/zinc/54/93/08/400549308.db2.gz MRAXXRQNBIZDLO-UHFFFAOYSA-N 1 0 307.375 3.111 20 5 DGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000602763571 400565908 /nfs/dbraw/zinc/56/59/08/400565908.db2.gz MDZKRXJCPDNTKP-GFCCVEGCSA-N 1 0 320.368 3.322 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000602764843 400567308 /nfs/dbraw/zinc/56/73/08/400567308.db2.gz ZSMHBRMAFVBXOJ-CFVMTHIKSA-N 1 0 306.410 3.000 20 5 DGBDRO O=[N+]([O-])c1ccc(OC[C@@H]2CC[NH2+]C2)c(Cc2ccccc2)c1 ZINC000592158353 400615820 /nfs/dbraw/zinc/61/58/20/400615820.db2.gz ARKNNZMEMYIYKY-OAHLLOKOSA-N 1 0 312.369 3.174 20 5 DGBDRO Cc1c(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000602997824 400624174 /nfs/dbraw/zinc/62/41/74/400624174.db2.gz ROTSBYGXVJPFFQ-UAGQMJEPSA-N 1 0 304.390 3.029 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(CC3CC3)C1)CCC2 ZINC000618567990 400626243 /nfs/dbraw/zinc/62/62/43/400626243.db2.gz DSGBSHCVIOLMBJ-YJBOKZPZSA-N 1 0 315.417 3.046 20 5 DGBDRO COc1ccc(C[N@H+](C)CCOc2ccccc2)cc1[N+](=O)[O-] ZINC000076490689 400657328 /nfs/dbraw/zinc/65/73/28/400657328.db2.gz MPDUHWODFKDUAX-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO C[C@@H]1CC2(C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592527224 400665358 /nfs/dbraw/zinc/66/53/58/400665358.db2.gz MTLOLJCUCSICCC-CSPWOOARSA-N 1 0 316.401 3.499 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000603250694 400660655 /nfs/dbraw/zinc/66/06/55/400660655.db2.gz LEVSAIWTXJCNFI-ABAIWWIYSA-N 1 0 317.393 3.150 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCOCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000358068211 285962378 /nfs/dbraw/zinc/96/23/78/285962378.db2.gz YVIDAQQSXPTDBJ-SNVBAGLBSA-N 1 0 306.284 3.133 20 5 DGBDRO CC[NH+](CC)Cc1cccc(CNc2ccc([N+](=O)[O-])nc2)c1 ZINC000076840624 400675728 /nfs/dbraw/zinc/67/57/28/400675728.db2.gz ZVMTWBOPKCOAHW-UHFFFAOYSA-N 1 0 314.389 3.444 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000077468437 400718141 /nfs/dbraw/zinc/71/81/41/400718141.db2.gz KKKLMJZYBKJDQK-MRXNPFEDSA-N 1 0 300.358 3.117 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000603839133 400720915 /nfs/dbraw/zinc/72/09/15/400720915.db2.gz VIVUWYFSVKOQTN-MRXNPFEDSA-N 1 0 312.373 3.239 20 5 DGBDRO O=[N+]([O-])c1ncccc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000603848849 400722784 /nfs/dbraw/zinc/72/27/84/400722784.db2.gz UPFYTGRFGZWYHL-UHFFFAOYSA-N 1 0 312.373 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000158041727 400723135 /nfs/dbraw/zinc/72/31/35/400723135.db2.gz WVBCAPBYRUIJRF-UHFFFAOYSA-N 1 0 320.389 3.009 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000603869622 400727552 /nfs/dbraw/zinc/72/75/52/400727552.db2.gz KITJVZFYSMDXMT-UHFFFAOYSA-N 1 0 311.385 3.307 20 5 DGBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618987900 400741081 /nfs/dbraw/zinc/74/10/81/400741081.db2.gz BWIPRZZIFDEWKA-SOUVJXGZSA-N 1 0 304.390 3.066 20 5 DGBDRO CCC(CC)[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000165331372 400751950 /nfs/dbraw/zinc/75/19/50/400751950.db2.gz YGNRGWKBIAORSM-UHFFFAOYSA-N 1 0 319.405 3.495 20 5 DGBDRO CCC(CC)[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000165332900 400752376 /nfs/dbraw/zinc/75/23/76/400752376.db2.gz QGDWUFQNYHXEFX-UHFFFAOYSA-N 1 0 319.405 3.495 20 5 DGBDRO Cc1c(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613389786 400708267 /nfs/dbraw/zinc/70/82/67/400708267.db2.gz QXORUUQQIAXRGB-CXAGYDPISA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)nc12 ZINC000156339524 400709960 /nfs/dbraw/zinc/70/99/60/400709960.db2.gz WSOMDZJIRSHAGT-CQSZACIVSA-N 1 0 324.384 3.444 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157089231 400715092 /nfs/dbraw/zinc/71/50/92/400715092.db2.gz LWDLADPZXPTWQO-AWEZNQCLSA-N 1 0 321.396 3.184 20 5 DGBDRO Cc1cnc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000078625657 400814913 /nfs/dbraw/zinc/81/49/13/400814913.db2.gz NREMNZCDUWSPJF-HNNXBMFYSA-N 1 0 318.352 3.152 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000078625052 400814932 /nfs/dbraw/zinc/81/49/32/400814932.db2.gz JGTCOGSHGKCRGZ-FPMFFAJLSA-N 1 0 319.405 3.399 20 5 DGBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000604433503 400775956 /nfs/dbraw/zinc/77/59/56/400775956.db2.gz QFUTXCURMFGFEK-UHFFFAOYSA-N 1 0 318.402 3.128 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1cccnc1[N+](=O)[O-])c1ccco1 ZINC000604473057 400779057 /nfs/dbraw/zinc/77/90/57/400779057.db2.gz ZFDNORXMOFRQAC-ZDUSSCGKSA-N 1 0 304.350 3.078 20 5 DGBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000053814236 400798755 /nfs/dbraw/zinc/79/87/55/400798755.db2.gz HWDIYINCOUTWDM-UHFFFAOYSA-N 1 0 311.769 3.061 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000619611319 400872483 /nfs/dbraw/zinc/87/24/83/400872483.db2.gz LXTWAOAAMIKPHB-INIZCTEOSA-N 1 0 313.357 3.036 20 5 DGBDRO CC(=O)c1ccc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000054981058 400846309 /nfs/dbraw/zinc/84/63/09/400846309.db2.gz YANNCHFDJNNUJU-CHWSQXEVSA-N 1 0 319.405 3.330 20 5 DGBDRO CC1CC(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598676250 400855768 /nfs/dbraw/zinc/85/57/68/400855768.db2.gz FVKAZWYBLWHMFV-ZUEPYMLJSA-N 1 0 314.389 3.053 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000599055358 400941946 /nfs/dbraw/zinc/94/19/46/400941946.db2.gz FLJKJTLQBIFASN-QWHCGFSZSA-N 1 0 308.378 3.071 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000599058196 400942582 /nfs/dbraw/zinc/94/25/82/400942582.db2.gz SLURPYYLFMITHV-RBGFHDKUSA-N 1 0 318.421 3.301 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)CCC(C)C ZINC000599067529 400949147 /nfs/dbraw/zinc/94/91/47/400949147.db2.gz FKUJNFGCFBFFFV-STQMWFEESA-N 1 0 310.394 3.051 20 5 DGBDRO Cc1ncccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599073200 400949811 /nfs/dbraw/zinc/94/98/11/400949811.db2.gz MLZBQPGZCRTMBE-QGZVFWFLSA-N 1 0 311.385 3.409 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599073392 400950930 /nfs/dbraw/zinc/95/09/30/400950930.db2.gz BZWQLKSQTVPTPH-XMQPUEPBSA-N 1 0 308.378 3.066 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000593677233 400890265 /nfs/dbraw/zinc/89/02/65/400890265.db2.gz VMWNSMSTDYVVSM-YVGNARHYSA-N 1 0 318.417 3.339 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)COCC1CC1 ZINC000593682114 400890724 /nfs/dbraw/zinc/89/07/24/400890724.db2.gz MNWGYKBOYPOQSP-KBPBESRZSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593694801 400893465 /nfs/dbraw/zinc/89/34/65/400893465.db2.gz TUQZLBJANLTFJR-LBPRGKRZSA-N 1 0 304.346 3.058 20 5 DGBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[NH+]1CCCCC1 ZINC000593702302 400895772 /nfs/dbraw/zinc/89/57/72/400895772.db2.gz LCUULIRJXWOWCS-VQHVLOKHSA-N 1 0 303.406 3.026 20 5 DGBDRO C[C@H](COCC1CC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000593722514 400899268 /nfs/dbraw/zinc/89/92/68/400899268.db2.gz STEOMMMZECBKJH-SJKOYZFVSA-N 1 0 304.390 3.377 20 5 DGBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@]2(C1)CCCOC2 ZINC000599074712 400952192 /nfs/dbraw/zinc/95/21/92/400952192.db2.gz VPLUIDJMPQSKBP-KRWDZBQOSA-N 1 0 313.357 3.150 20 5 DGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000619783650 400906248 /nfs/dbraw/zinc/90/62/48/400906248.db2.gz WEKDGVOTXJHXIM-NSHDSACASA-N 1 0 319.386 3.336 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594026183 400952657 /nfs/dbraw/zinc/95/26/57/400952657.db2.gz FHHFFQZLUAYFBP-QGZVFWFLSA-N 1 0 320.389 3.007 20 5 DGBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000598929360 400908982 /nfs/dbraw/zinc/90/89/82/400908982.db2.gz BOYRGEGVJJUABA-UHFFFAOYSA-N 1 0 312.369 3.350 20 5 DGBDRO COc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1F ZINC000619846225 400909529 /nfs/dbraw/zinc/90/95/29/400909529.db2.gz KSETZFNRWKCYOZ-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c1 ZINC000598993195 400923288 /nfs/dbraw/zinc/92/32/88/400923288.db2.gz VGOQJLUUVJWKJP-KRWDZBQOSA-N 1 0 303.406 3.091 20 5 DGBDRO CN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000598993755 400923412 /nfs/dbraw/zinc/92/34/12/400923412.db2.gz MSMFOLSPAFITJW-OAHLLOKOSA-N 1 0 315.373 3.039 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599006277 400925234 /nfs/dbraw/zinc/92/52/34/400925234.db2.gz FXAAWERGIUXWMK-RHSMWYFYSA-N 1 0 304.390 3.375 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599011023 400926340 /nfs/dbraw/zinc/92/63/40/400926340.db2.gz WNFKOVHANADDFW-DYOODJRRSA-N 1 0 302.374 3.155 20 5 DGBDRO O=[N+]([O-])c1c(NCC[NH+]2CCCCC2)ccc2cnccc21 ZINC000599018614 400927652 /nfs/dbraw/zinc/92/76/52/400927652.db2.gz BCOXDZCSPISSRJ-UHFFFAOYSA-N 1 0 300.362 3.041 20 5 DGBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc2cnccc21 ZINC000599019482 400928760 /nfs/dbraw/zinc/92/87/60/400928760.db2.gz MFSXUBXXACJEAL-GOEBONIOSA-N 1 0 312.373 3.182 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599026213 400930908 /nfs/dbraw/zinc/93/09/08/400930908.db2.gz DARUSUPFOZBHLL-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CC[NH+]1CCC(CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599027383 400931886 /nfs/dbraw/zinc/93/18/86/400931886.db2.gz NGQZHHLCZLQOLG-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO CCOc1cc(NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599166543 400984171 /nfs/dbraw/zinc/98/41/71/400984171.db2.gz XNTMWCAZPHCCEB-OAHLLOKOSA-N 1 0 319.405 3.422 20 5 DGBDRO C[C@@H](CN1CCCCC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237497257 400989105 /nfs/dbraw/zinc/98/91/05/400989105.db2.gz KSIAGROEPYCJIO-HEWZJLJBSA-N 1 0 303.406 3.072 20 5 DGBDRO COc1cc(N2CCC([NH2+]C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000080982320 401012720 /nfs/dbraw/zinc/01/27/20/401012720.db2.gz XSIQENMNUOVSDK-UHFFFAOYSA-N 1 0 319.405 3.104 20 5 DGBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000599140200 400973536 /nfs/dbraw/zinc/97/35/36/400973536.db2.gz SIWXGPILHOTYMG-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO COC(=O)CCCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599433871 401049704 /nfs/dbraw/zinc/04/97/04/401049704.db2.gz LWXDZEPWLQQJLB-HNNXBMFYSA-N 1 0 320.389 3.118 20 5 DGBDRO C[C@@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000599512366 401062226 /nfs/dbraw/zinc/06/22/26/401062226.db2.gz IZYFNFBZNLZTRT-VXGBXAGGSA-N 1 0 314.332 3.197 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248883644 401079630 /nfs/dbraw/zinc/07/96/30/401079630.db2.gz LLPBYZMGILTPLL-DYVFJYSZSA-N 1 0 305.422 3.292 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCNc1ccccn1 ZINC000594496146 401079692 /nfs/dbraw/zinc/07/96/92/401079692.db2.gz ILMLZJGXZPJWAK-HNNXBMFYSA-N 1 0 312.373 3.069 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000057838803 401031849 /nfs/dbraw/zinc/03/18/49/401031849.db2.gz CKHZYMJCRUTQSS-LLVKDONJSA-N 1 0 317.311 3.144 20 5 DGBDRO CC(C)(NCc1cc(CO)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000599425361 401044512 /nfs/dbraw/zinc/04/45/12/401044512.db2.gz CPXHVJBEZAUUCC-UHFFFAOYSA-N 1 0 318.348 3.251 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000255772163 401106953 /nfs/dbraw/zinc/10/69/53/401106953.db2.gz LPGLSSJAYYGEQE-AFCDSYGPSA-N 1 0 315.417 3.168 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC2(CC2)CC1 ZINC000599672148 401108624 /nfs/dbraw/zinc/10/86/24/401108624.db2.gz BFKXPQDCKGTLMG-CYBMUJFWSA-N 1 0 317.389 3.188 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000060369943 401110635 /nfs/dbraw/zinc/11/06/35/401110635.db2.gz JTYLVORXZXTBGE-KRWDZBQOSA-N 1 0 311.385 3.324 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(O)CC1 ZINC000358220741 286001174 /nfs/dbraw/zinc/00/11/74/286001174.db2.gz KSDROSOQLFJUIU-HSBZDZAISA-N 1 0 324.446 3.359 20 5 DGBDRO COc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594596472 401122119 /nfs/dbraw/zinc/12/21/19/401122119.db2.gz ACMKGGNNFSWDCR-KGLIPLIRSA-N 1 0 305.378 3.032 20 5 DGBDRO CCOC(=O)CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000594610045 401132082 /nfs/dbraw/zinc/13/20/82/401132082.db2.gz DVHPAFSVONNZHD-CLFYSBASSA-N 1 0 320.389 3.272 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594510556 401087301 /nfs/dbraw/zinc/08/73/01/401087301.db2.gz MUWDDAVQABIALL-BXUZGUMPSA-N 1 0 320.389 3.150 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000594517997 401095490 /nfs/dbraw/zinc/09/54/90/401095490.db2.gz GBGNLQUJKLZMDX-YZJPHSQXSA-N 1 0 315.417 3.215 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000594517996 401095522 /nfs/dbraw/zinc/09/55/22/401095522.db2.gz GBGNLQUJKLZMDX-QWYBNYMASA-N 1 0 315.417 3.215 20 5 DGBDRO Cc1cccc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000280647858 401152323 /nfs/dbraw/zinc/15/23/23/401152323.db2.gz RVKNCMWFKVILDV-AWEZNQCLSA-N 1 0 313.401 3.452 20 5 DGBDRO CCO[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000615833754 401161535 /nfs/dbraw/zinc/16/15/35/401161535.db2.gz NYNCAPGMYLWRCS-IDKBZEPQSA-N 1 0 304.390 3.499 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](CC(C)C)[NH+](C)C ZINC000595005948 401226516 /nfs/dbraw/zinc/22/65/16/401226516.db2.gz CBTRJONRLKXPOU-HIFRSBDPSA-N 1 0 323.437 3.230 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000616057080 401201963 /nfs/dbraw/zinc/20/19/63/401201963.db2.gz KOUDVFYUKRDMCQ-CQSZACIVSA-N 1 0 314.389 3.110 20 5 DGBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000600168387 401205891 /nfs/dbraw/zinc/20/58/91/401205891.db2.gz IQSQQTVPOJRRPM-ZDUSSCGKSA-N 1 0 318.373 3.448 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC[NH+]1CCCCC1 ZINC000595004334 401225758 /nfs/dbraw/zinc/22/57/58/401225758.db2.gz PGHKTVOTKOUEAH-AWEZNQCLSA-N 1 0 321.421 3.130 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCOCC1CC1 ZINC000595003323 401225833 /nfs/dbraw/zinc/22/58/33/401225833.db2.gz HBDULXXHBYIKFH-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO CC(C)(F)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594972283 401214925 /nfs/dbraw/zinc/21/49/25/401214925.db2.gz BSWLJANGQFUIKW-UHFFFAOYSA-N 1 0 306.284 3.424 20 5 DGBDRO CO[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000594995706 401222046 /nfs/dbraw/zinc/22/20/46/401222046.db2.gz TYLVRRUOOWEYAN-IVEQORNPSA-N 1 0 304.390 3.403 20 5 DGBDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000615966465 401187840 /nfs/dbraw/zinc/18/78/40/401187840.db2.gz ANFWEFZLCMEXCS-XJKSGUPXSA-N 1 0 316.405 3.419 20 5 DGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)C(C)C ZINC000065299542 401263840 /nfs/dbraw/zinc/26/38/40/401263840.db2.gz NXKBPYRUPOYUIE-LBPRGKRZSA-N 1 0 308.378 3.328 20 5 DGBDRO CCC[C@H]([NH2+]CC1(OC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090650084 401270246 /nfs/dbraw/zinc/27/02/46/401270246.db2.gz WQMGPMAHZYZWDR-INIZCTEOSA-N 1 0 322.405 3.221 20 5 DGBDRO CCC[C@H]([NH2+]CCc1ncc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000358359163 286041249 /nfs/dbraw/zinc/04/12/49/286041249.db2.gz ATHAWPFHPNHRBP-INIZCTEOSA-N 1 0 314.389 3.367 20 5 DGBDRO CC[NH+](CC)CCCCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000065944915 401286153 /nfs/dbraw/zinc/28/61/53/401286153.db2.gz SFCLEIICNYUJQA-UHFFFAOYSA-N 1 0 307.394 3.331 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1csc(C)n1 ZINC000595007285 401228308 /nfs/dbraw/zinc/22/83/08/401228308.db2.gz LZPKMZMFELEVEC-SNVBAGLBSA-N 1 0 321.402 3.262 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000595009102 401229215 /nfs/dbraw/zinc/22/92/15/401229215.db2.gz CBPIVGPZXYUVPE-RWMBFGLXSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000595010803 401231181 /nfs/dbraw/zinc/23/11/81/401231181.db2.gz ZATOAXHXRCWHDI-LBPRGKRZSA-N 1 0 316.357 3.202 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000595012529 401231594 /nfs/dbraw/zinc/23/15/94/401231594.db2.gz CNYAJLLAQSMXRN-ZENOOKHLSA-N 1 0 322.405 3.458 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCc1nccs1 ZINC000595018653 401234282 /nfs/dbraw/zinc/23/42/82/401234282.db2.gz CNESPBFTMUXOSD-NSHDSACASA-N 1 0 321.402 3.343 20 5 DGBDRO Cc1cccc(NCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000358375039 286044527 /nfs/dbraw/zinc/04/45/27/286044527.db2.gz HAHJWRWTQKCDDQ-CQSZACIVSA-N 1 0 314.389 3.369 20 5 DGBDRO Cc1cccc(NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000358371789 286043910 /nfs/dbraw/zinc/04/39/10/286043910.db2.gz AFJCUVAVJWMCGX-CYBMUJFWSA-N 1 0 300.362 3.061 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)(COC)CC1 ZINC000358745388 286140066 /nfs/dbraw/zinc/14/00/66/286140066.db2.gz OHWMNNAWAUZRSB-UHFFFAOYSA-N 1 0 322.405 3.242 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000359044139 286222541 /nfs/dbraw/zinc/22/25/41/286222541.db2.gz FYPOFQZTFWPGMH-CBBWQLFWSA-N 1 0 306.410 3.301 20 5 DGBDRO [NH3+]CCCN(Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000359317692 286282606 /nfs/dbraw/zinc/28/26/06/286282606.db2.gz XSHMHOPXVSGKEY-UHFFFAOYSA-N 1 0 317.364 3.085 20 5 DGBDRO CCCN(CC[NH+](CC)CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000359596564 286343993 /nfs/dbraw/zinc/34/39/93/286343993.db2.gz HWCFWCVVHRGHMK-UHFFFAOYSA-N 1 0 311.401 3.288 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161977466 292295365 /nfs/dbraw/zinc/29/53/65/292295365.db2.gz GFRUKUOQIVZVFO-JMGFVUJMSA-N 1 0 304.390 3.367 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000424140456 286926148 /nfs/dbraw/zinc/92/61/48/286926148.db2.gz OGZBYKJWVWWPIA-HUUCEWRRSA-N 1 0 319.405 3.035 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C)cc1[N+](=O)[O-] ZINC000178686631 164846016 /nfs/dbraw/zinc/84/60/16/164846016.db2.gz VSMIHZRDMBAEFR-KGLIPLIRSA-N 1 0 321.421 3.105 20 5 DGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185667205 165012380 /nfs/dbraw/zinc/01/23/80/165012380.db2.gz DFMINPJCWVCBRA-WBMJQRKESA-N 1 0 319.405 3.352 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000192495322 165294489 /nfs/dbraw/zinc/29/44/89/165294489.db2.gz BRNJARPVWGCPKD-AWEZNQCLSA-N 1 0 323.441 3.042 20 5 DGBDRO COCCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230866076 165398360 /nfs/dbraw/zinc/39/83/60/165398360.db2.gz SDTYLXQERHRVEO-UHFFFAOYSA-N 1 0 300.786 3.401 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245531127 165462931 /nfs/dbraw/zinc/46/29/31/165462931.db2.gz SZFOKUSJQROTGM-CVEARBPZSA-N 1 0 317.433 3.382 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)[C@H](CO)SC)c1cccc([N+](=O)[O-])c1 ZINC000248170525 165611428 /nfs/dbraw/zinc/61/14/28/165611428.db2.gz UQUQPBLCOSZSOI-CQDKDKBSSA-N 1 0 312.435 3.138 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)C1CC1 ZINC000251863539 165694057 /nfs/dbraw/zinc/69/40/57/165694057.db2.gz OKTWZUJMUCIROY-HPFXQQBRSA-N 1 0 316.401 3.073 20 5 DGBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)c2ccccc2C[NH2+]1 ZINC000261837119 165754923 /nfs/dbraw/zinc/75/49/23/165754923.db2.gz ILPMJQOAQJCEGE-LBPRGKRZSA-N 1 0 315.348 3.232 20 5 DGBDRO [NH3+]C1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CCCCC1 ZINC000262549311 165808423 /nfs/dbraw/zinc/80/84/23/165808423.db2.gz SCSRHUWZNHALCV-UHFFFAOYSA-N 1 0 300.362 3.217 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129099885 196018983 /nfs/dbraw/zinc/01/89/83/196018983.db2.gz QJVFIFZJCGUZOK-ZFWWWQNUSA-N 1 0 323.824 3.164 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000129404787 196046065 /nfs/dbraw/zinc/04/60/65/196046065.db2.gz PVDGZDGMSZGNDX-LBPRGKRZSA-N 1 0 314.341 3.483 20 5 DGBDRO CCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000171679747 432160037 /nfs/dbraw/zinc/16/00/37/432160037.db2.gz ZNUVWQWMUZHWOF-UHFFFAOYSA-N 1 0 302.334 3.019 20 5 DGBDRO Cc1ccc(C[N@H+](CCO)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000181987787 432154370 /nfs/dbraw/zinc/15/43/70/432154370.db2.gz SWRZQBVLAREGNT-UHFFFAOYSA-N 1 0 314.385 3.206 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246866388 432174628 /nfs/dbraw/zinc/17/46/28/432174628.db2.gz CICTXUUEQORAOA-CABCVRRESA-N 1 0 305.422 3.366 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@]2(C)CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000246864756 432174826 /nfs/dbraw/zinc/17/48/26/432174826.db2.gz CQVSSTUWAZBSLB-XKQJLSEDSA-N 1 0 306.406 3.495 20 5 DGBDRO CC[C@H](C)C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000171949198 432186354 /nfs/dbraw/zinc/18/63/54/432186354.db2.gz DLXWFJWLHUQHJQ-LBPRGKRZSA-N 1 0 307.394 3.210 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000131039170 196134359 /nfs/dbraw/zinc/13/43/59/196134359.db2.gz VEGSTGZMLNHVNU-IVMMDQJWSA-N 1 0 322.430 3.300 20 5 DGBDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000134478864 196394581 /nfs/dbraw/zinc/39/45/81/196394581.db2.gz RGVSLTOATTXCET-KRWDZBQOSA-N 1 0 314.385 3.368 20 5 DGBDRO CO[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295860599 225321247 /nfs/dbraw/zinc/32/12/47/225321247.db2.gz FBKSQDLWQSZWHI-INIZCTEOSA-N 1 0 322.405 3.111 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000290951307 222024390 /nfs/dbraw/zinc/02/43/90/222024390.db2.gz VCPXNNCJZPNMPW-SNVBAGLBSA-N 1 0 305.161 3.170 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@](C)(OC)C2CC2)cc1[N+](=O)[O-] ZINC000291181781 222200995 /nfs/dbraw/zinc/20/09/95/222200995.db2.gz KQDUWJCADGROOX-SJKOYZFVSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1ccc(F)cc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000291267032 222271090 /nfs/dbraw/zinc/27/10/90/222271090.db2.gz SVFFYETVRRMNBO-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@H]1SC ZINC000291388650 222358814 /nfs/dbraw/zinc/35/88/14/222358814.db2.gz CFEIVTOFWPLOOW-DDUYRFODSA-N 1 0 324.446 3.463 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301602326 229768895 /nfs/dbraw/zinc/76/88/95/229768895.db2.gz WFBYGZVKFXQMJD-KGLIPLIRSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1cc(N2CCC[C@H]([C@H](C)O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302058216 230070279 /nfs/dbraw/zinc/07/02/79/230070279.db2.gz BKYKMCZFOOZAIM-STQMWFEESA-N 1 0 315.373 3.049 20 5 DGBDRO Cc1cc(NCC[C@H](O)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302173863 230139915 /nfs/dbraw/zinc/13/99/15/230139915.db2.gz MOTBOGCQWVESDO-INIZCTEOSA-N 1 0 303.362 3.270 20 5 DGBDRO Cc1cc(NC[C@H](O)CC(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302194452 230154572 /nfs/dbraw/zinc/15/45/72/230154572.db2.gz SCCFSEVAWHNSCL-CYBMUJFWSA-N 1 0 303.362 3.270 20 5 DGBDRO COc1cc(N[C@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000302460316 230254466 /nfs/dbraw/zinc/25/44/66/230254466.db2.gz VAHBNVOJNXHPCO-CYBMUJFWSA-N 1 0 307.394 3.280 20 5 DGBDRO Cc1cccc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302481847 230262357 /nfs/dbraw/zinc/26/23/57/230262357.db2.gz GYYKLLUUDPQQAT-OKILXGFUSA-N 1 0 321.421 3.203 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000346785447 264096537 /nfs/dbraw/zinc/09/65/37/264096537.db2.gz CMJKFZSTSYWRKQ-KCQAQPDRSA-N 1 0 321.421 3.127 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC([NH2+]CC2CC2)CC1 ZINC000347115800 264159753 /nfs/dbraw/zinc/15/97/53/264159753.db2.gz VMQPYZSPPQILLE-HWKANZROSA-N 1 0 315.417 3.072 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000347331544 264198408 /nfs/dbraw/zinc/19/84/08/264198408.db2.gz FMYWHBFMJKXINZ-DZXKJOIRSA-N 1 0 302.374 3.111 20 5 DGBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000347683482 264266319 /nfs/dbraw/zinc/26/63/19/264266319.db2.gz DUWHJVZXRCALCW-STQMWFEESA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC2(CCC2)C1 ZINC000348169100 264356708 /nfs/dbraw/zinc/35/67/08/264356708.db2.gz OSLCLJDOHAMQIU-CYBMUJFWSA-N 1 0 317.389 3.188 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCSC2)n1 ZINC000348199195 264363566 /nfs/dbraw/zinc/36/35/66/264363566.db2.gz OXEGKDVFXGLSOQ-MELADBBJSA-N 1 0 324.450 3.008 20 5 DGBDRO Cc1sccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000350475399 264623398 /nfs/dbraw/zinc/62/33/98/264623398.db2.gz IDBGOVQRBPQWLK-UHFFFAOYSA-N 1 0 317.414 3.287 20 5 DGBDRO Cc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000352327932 265003735 /nfs/dbraw/zinc/00/37/35/265003735.db2.gz FLTBRQOOOIYBDW-UHFFFAOYSA-N 1 0 317.414 3.287 20 5 DGBDRO Cc1ccc(CN2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000352382997 265025522 /nfs/dbraw/zinc/02/55/22/265025522.db2.gz IKFZJZVJYAETLL-KRWDZBQOSA-N 1 0 317.433 3.354 20 5 DGBDRO COCc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000352562937 265089466 /nfs/dbraw/zinc/08/94/66/265089466.db2.gz NRVXTGRCKBIEFL-UHFFFAOYSA-N 1 0 314.385 3.416 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000352566463 265090921 /nfs/dbraw/zinc/09/09/21/265090921.db2.gz ZRWUTZKDHMMNTN-UHFFFAOYSA-N 1 0 314.341 3.356 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CSC[C@@H]1C ZINC000352799400 265171695 /nfs/dbraw/zinc/17/16/95/265171695.db2.gz YGRJZVQYDWXAGV-FZMZJTMJSA-N 1 0 310.419 3.223 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000353011378 265263968 /nfs/dbraw/zinc/26/39/68/265263968.db2.gz WSAYKPFNFGQBPS-QAPCUYQASA-N 1 0 317.433 3.244 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353017271 265267167 /nfs/dbraw/zinc/26/71/67/265267167.db2.gz BROHBFAILQCPOC-GHMZBOCLSA-N 1 0 300.305 3.217 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000353408163 265419396 /nfs/dbraw/zinc/41/93/96/265419396.db2.gz YZQFIGBFHUHNFN-QLBOMPFWSA-N 1 0 315.417 3.168 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1CO ZINC000191175346 432230811 /nfs/dbraw/zinc/23/08/11/432230811.db2.gz QOKWCGSMJHZUTK-BLLLJJGKSA-N 1 0 316.357 3.058 20 5 DGBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355341622 266044858 /nfs/dbraw/zinc/04/48/58/266044858.db2.gz XICAUVHZERBJPX-OAHLLOKOSA-N 1 0 316.405 3.090 20 5 DGBDRO COc1cc(CN(C)CC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000356348713 266360903 /nfs/dbraw/zinc/36/09/03/266360903.db2.gz PGBYRWHSACHNJM-UHFFFAOYSA-N 1 0 323.437 3.154 20 5 DGBDRO CC(C)[NH+](CCN(C)CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000356384804 266375802 /nfs/dbraw/zinc/37/58/02/266375802.db2.gz DLWAYQMUHBPEHC-UHFFFAOYSA-N 1 0 323.437 3.024 20 5 DGBDRO CC(C)[NH+](CCN(C)Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000356392778 266379545 /nfs/dbraw/zinc/37/95/45/266379545.db2.gz MBFDSFHRHRFBMU-UHFFFAOYSA-N 1 0 311.401 3.285 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000172856865 432240762 /nfs/dbraw/zinc/24/07/62/432240762.db2.gz QVGPCVKSGLRFSP-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191308340 432248734 /nfs/dbraw/zinc/24/87/34/432248734.db2.gz VCQLFFKEYWYJJB-BXUZGUMPSA-N 1 0 305.378 3.090 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(c3ccccn3)CCC2)cs1 ZINC000367587855 271046757 /nfs/dbraw/zinc/04/67/57/271046757.db2.gz UOIMOYMXUQWPRI-UHFFFAOYSA-N 1 0 303.387 3.263 20 5 DGBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000368054202 271125553 /nfs/dbraw/zinc/12/55/53/271125553.db2.gz CUZLCQGUXIEXBX-HNNXBMFYSA-N 1 0 312.797 3.089 20 5 DGBDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183051570 432253172 /nfs/dbraw/zinc/25/31/72/432253172.db2.gz XDLWQRQCCSFYNH-ZJUUUORDSA-N 1 0 313.785 3.211 20 5 DGBDRO CC[NH+](CC)CCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588712 273635675 /nfs/dbraw/zinc/63/56/75/273635675.db2.gz BFBPFDQUORKZJZ-QGZVFWFLSA-N 1 0 305.422 3.294 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412041448 274202962 /nfs/dbraw/zinc/20/29/62/274202962.db2.gz LIJNQRSDDUEJHY-RYUDHWBXSA-N 1 0 305.378 3.042 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000192833191 274225190 /nfs/dbraw/zinc/22/51/90/274225190.db2.gz ORSGQPGQOKAELZ-YVEFUNNKSA-N 1 0 303.406 3.045 20 5 DGBDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279226050 274233028 /nfs/dbraw/zinc/23/30/28/274233028.db2.gz ZMBRJTSVPQNFMS-BLLLJJGKSA-N 1 0 314.389 3.192 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000332368594 274278227 /nfs/dbraw/zinc/27/82/27/274278227.db2.gz WJRGMENQKXGUAA-UONOGXRCSA-N 1 0 314.389 3.269 20 5 DGBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000332212221 274297004 /nfs/dbraw/zinc/29/70/04/274297004.db2.gz VYENYVPWHIKGKE-MDZLAQPJSA-N 1 0 302.378 3.385 20 5 DGBDRO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279193595 274380095 /nfs/dbraw/zinc/38/00/95/274380095.db2.gz WQEHQWJKPGYVMD-LYRGGWFBSA-N 1 0 304.390 3.332 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332037796 274392874 /nfs/dbraw/zinc/39/28/74/274392874.db2.gz XHIDZMGARXBPBR-IIYDPXPESA-N 1 0 317.433 3.390 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000447546467 274394334 /nfs/dbraw/zinc/39/43/34/274394334.db2.gz WBZVJYBEEINEKY-IFIJOSMWSA-N 1 0 303.406 3.045 20 5 DGBDRO C[C@@]1(C[NH3+])CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420250481 274450150 /nfs/dbraw/zinc/45/01/50/274450150.db2.gz ZTKDQMWLOSVSAH-LBPRGKRZSA-N 1 0 304.177 3.077 20 5 DGBDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449175689 274821453 /nfs/dbraw/zinc/82/14/53/274821453.db2.gz RDXLHQAEUPCBRY-JSGCOSHPSA-N 1 0 320.414 3.219 20 5 DGBDRO [NH3+]C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000420371894 274950735 /nfs/dbraw/zinc/95/07/35/274950735.db2.gz PVTXDCIGFNPGIA-AWEZNQCLSA-N 1 0 311.813 3.245 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000161898891 275037017 /nfs/dbraw/zinc/03/70/17/275037017.db2.gz XUXBVOFWSKHBMT-WBMJQRKESA-N 1 0 319.380 3.187 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1c3ccccc3C[C@@H]1O)CCC2 ZINC000192725153 275038042 /nfs/dbraw/zinc/03/80/42/275038042.db2.gz GJZVSACZJSCFBC-GBESFXJTSA-N 1 0 324.380 3.220 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)CCC2 ZINC000192956494 275038101 /nfs/dbraw/zinc/03/81/01/275038101.db2.gz RCLUIPRYOGXBMU-QEORTHHSSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000190324712 275040815 /nfs/dbraw/zinc/04/08/15/275040815.db2.gz OUHAQJLWQRDOOL-ZDUSSCGKSA-N 1 0 324.450 3.144 20 5 DGBDRO CC(C)[C@H](O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303489 275706168 /nfs/dbraw/zinc/70/61/68/275706168.db2.gz DKFNXTOUZQNRGT-DLBZAZTESA-N 1 0 306.406 3.359 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCC2(O)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000284526914 275867326 /nfs/dbraw/zinc/86/73/26/275867326.db2.gz ZPPNEIQELGKQNF-HNNXBMFYSA-N 1 0 304.390 3.212 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCN2CCCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433128562 275867642 /nfs/dbraw/zinc/86/76/42/275867642.db2.gz BAOHHGUVNSXNHT-KRWDZBQOSA-N 1 0 317.433 3.393 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSCC[C@H]1C ZINC000191816077 276376994 /nfs/dbraw/zinc/37/69/94/276376994.db2.gz PDHUJNVLNMBYFL-GFCCVEGCSA-N 1 0 310.419 3.321 20 5 DGBDRO Cc1cc(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000470863138 429711438 /nfs/dbraw/zinc/71/14/38/429711438.db2.gz RLXRYGGLWQMFCY-OAHLLOKOSA-N 1 0 320.437 3.467 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000480513014 429721013 /nfs/dbraw/zinc/72/10/13/429721013.db2.gz CICUDANOOJKFCR-CQSZACIVSA-N 1 0 306.410 3.365 20 5 DGBDRO CC[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000181446461 276627597 /nfs/dbraw/zinc/62/75/97/276627597.db2.gz CPDJTCOGFWPXJI-ZDUSSCGKSA-N 1 0 301.346 3.067 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000172823919 276722427 /nfs/dbraw/zinc/72/24/27/276722427.db2.gz WSCRKZDLTWUZLU-WBMJQRKESA-N 1 0 323.441 3.042 20 5 DGBDRO C[NH+](C)C1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCC1 ZINC000318259605 276772004 /nfs/dbraw/zinc/77/20/04/276772004.db2.gz NJHQBCFQUMMMFC-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432138143 276870524 /nfs/dbraw/zinc/87/05/24/276870524.db2.gz WGMKIBNWMCNYAJ-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO COC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433294639 277600281 /nfs/dbraw/zinc/60/02/81/277600281.db2.gz AEGPJVKTFPKCPZ-HOTGVXAUSA-N 1 0 304.390 3.332 20 5 DGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000610715947 430565282 /nfs/dbraw/zinc/56/52/82/430565282.db2.gz IXGIHIFETBVYNV-AWEZNQCLSA-N 1 0 314.389 3.429 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000190342507 278037502 /nfs/dbraw/zinc/03/75/02/278037502.db2.gz ACSITQVXCNUOHY-INMHGKMJSA-N 1 0 304.390 3.375 20 5 DGBDRO CS[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000294891579 278162910 /nfs/dbraw/zinc/16/29/10/278162910.db2.gz DBIRQKMOUPJSTN-LBPRGKRZSA-N 1 0 303.387 3.393 20 5 DGBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000261988270 278228063 /nfs/dbraw/zinc/22/80/63/278228063.db2.gz SOIDKUBEXBNHHX-VHSXEESVSA-N 1 0 317.311 3.177 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000341679783 278344023 /nfs/dbraw/zinc/34/40/23/278344023.db2.gz BTBSUESHQUVUCG-CYBMUJFWSA-N 1 0 302.378 3.002 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000278952523 288046266 /nfs/dbraw/zinc/04/62/66/288046266.db2.gz LLYMVXMUWTYHBW-BBRMVZONSA-N 1 0 314.389 3.095 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000279180094 278996978 /nfs/dbraw/zinc/99/69/78/278996978.db2.gz VKVWMBPUDFEHPX-HSMVNMDESA-N 1 0 304.390 3.474 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CN1CCC[C@@H](C)C1 ZINC000449092104 279382744 /nfs/dbraw/zinc/38/27/44/279382744.db2.gz LHRHKMZQOYWXDI-BZUAXINKSA-N 1 0 319.449 3.236 20 5 DGBDRO Cc1ccccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000069189867 431167714 /nfs/dbraw/zinc/16/77/14/431167714.db2.gz VDAUMBLMZUNORX-UHFFFAOYSA-N 1 0 311.385 3.225 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112079807 431245584 /nfs/dbraw/zinc/24/55/84/431245584.db2.gz QOUWHNFPIJASMA-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000112701936 431297734 /nfs/dbraw/zinc/29/77/34/431297734.db2.gz VWEPHFCSBYSQOA-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO CC(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072491917 431335631 /nfs/dbraw/zinc/33/56/31/431335631.db2.gz QGHNGZXCJNYWNI-AWEZNQCLSA-N 1 0 319.405 3.291 20 5 DGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)C(C)C ZINC000072635871 431341427 /nfs/dbraw/zinc/34/14/27/431341427.db2.gz YMAUMWHSYYYFEZ-CYBMUJFWSA-N 1 0 307.394 3.208 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000007379458 431343454 /nfs/dbraw/zinc/34/34/54/431343454.db2.gz JJWAMTNEWQTVCP-OLZOCXBDSA-N 1 0 313.357 3.273 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C(C)C)C1CCC1 ZINC000072685619 431347549 /nfs/dbraw/zinc/34/75/49/431347549.db2.gz GCXKYGWVPBAIQZ-UHFFFAOYSA-N 1 0 305.378 3.105 20 5 DGBDRO CCc1ccc([C@H](CNc2ncccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000007979787 431374237 /nfs/dbraw/zinc/37/42/37/431374237.db2.gz XTNMGJZYWMRPQS-INIZCTEOSA-N 1 0 314.389 3.267 20 5 DGBDRO Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000114110709 431376880 /nfs/dbraw/zinc/37/68/80/431376880.db2.gz ZQRUITWXIIHDRI-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000114725493 431409293 /nfs/dbraw/zinc/40/92/93/431409293.db2.gz LCCKCZTVUQQYRG-UHFFFAOYSA-N 1 0 313.785 3.165 20 5 DGBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116280290 431497904 /nfs/dbraw/zinc/49/79/04/431497904.db2.gz QRKUXKCYNUUVDF-DZGCQCFKSA-N 1 0 312.797 3.374 20 5 DGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000075860558 431502753 /nfs/dbraw/zinc/50/27/53/431502753.db2.gz PXTNOMPJSHLFRK-CYBMUJFWSA-N 1 0 309.385 3.040 20 5 DGBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000014183656 431583231 /nfs/dbraw/zinc/58/32/31/431583231.db2.gz GJDZEXGSTOFGSS-VXGBXAGGSA-N 1 0 316.361 3.123 20 5 DGBDRO O=[N+]([O-])c1ccccc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000025814467 431665303 /nfs/dbraw/zinc/66/53/03/431665303.db2.gz IPVPYLQRLWKTPG-UHFFFAOYSA-N 1 0 319.405 3.042 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000119272435 431667863 /nfs/dbraw/zinc/66/78/63/431667863.db2.gz LSUADUSWCCNKRN-HZPDHXFCSA-N 1 0 318.417 3.463 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000119404787 431690305 /nfs/dbraw/zinc/69/03/05/431690305.db2.gz SLEURZTVFYLEDP-IPQOISQHSA-N 1 0 318.398 3.183 20 5 DGBDRO CCC[NH+](CCC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000078647864 431691025 /nfs/dbraw/zinc/69/10/25/431691025.db2.gz AXBMKHKNQIHRII-UHFFFAOYSA-N 1 0 304.350 3.267 20 5 DGBDRO CC(C)N(C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000079309400 431720205 /nfs/dbraw/zinc/72/02/05/431720205.db2.gz MKHPIAOLLFCRGX-ZIAGYGMSSA-N 1 0 321.421 3.279 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)nc2c1 ZINC000083243489 431808956 /nfs/dbraw/zinc/80/89/56/431808956.db2.gz BPHOQWDRWXWVIM-TXEJJXNPSA-N 1 0 301.346 3.358 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC4(CCC4)C3)n2)cc1 ZINC000123054085 431853251 /nfs/dbraw/zinc/85/32/51/431853251.db2.gz QVURCCICCLWZOV-UHFFFAOYSA-N 1 0 314.345 3.021 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCCCn1cccn1)CC2 ZINC000088605757 431858984 /nfs/dbraw/zinc/85/89/84/431858984.db2.gz AIVPORDKSYPPSC-UHFFFAOYSA-N 1 0 314.389 3.020 20 5 DGBDRO CC(C)[NH+]1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000035368220 431830172 /nfs/dbraw/zinc/83/01/72/431830172.db2.gz JAQJFTFYAJTELG-UHFFFAOYSA-N 1 0 311.813 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000044503192 431874277 /nfs/dbraw/zinc/87/42/77/431874277.db2.gz XSHLPDCCPAGBSS-SECBINFHSA-N 1 0 303.284 3.025 20 5 DGBDRO CCC[C@@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000089728399 431876601 /nfs/dbraw/zinc/87/66/01/431876601.db2.gz ZBDSDNHNVTYFCP-CVEARBPZSA-N 1 0 319.405 3.035 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000089908087 431884783 /nfs/dbraw/zinc/88/47/83/431884783.db2.gz YHSDTKYOJNHRLS-VXGBXAGGSA-N 1 0 301.346 3.480 20 5 DGBDRO CC1(C)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907016 431884933 /nfs/dbraw/zinc/88/49/33/431884933.db2.gz LWNTWWDOKPJRQX-UHFFFAOYSA-N 1 0 301.346 3.482 20 5 DGBDRO CC[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000124194580 431885692 /nfs/dbraw/zinc/88/56/92/431885692.db2.gz GXKLGAKYADFGRN-IAGOWNOFSA-N 1 0 300.358 3.369 20 5 DGBDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550346 431892829 /nfs/dbraw/zinc/89/28/29/431892829.db2.gz XEIMIWLQXSTBKQ-HNNXBMFYSA-N 1 0 321.421 3.047 20 5 DGBDRO C[NH+](C)C(C)(C)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000054613508 431972800 /nfs/dbraw/zinc/97/28/00/431972800.db2.gz PSDVWLZFNTZPBT-UHFFFAOYSA-N 1 0 305.300 3.366 20 5 DGBDRO C[C@@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000127511846 431973900 /nfs/dbraw/zinc/97/39/00/431973900.db2.gz QKKRRGZIVJOEHC-QWRGUYRKSA-N 1 0 306.387 3.355 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCO)C1CCCCC1 ZINC000050445229 431948146 /nfs/dbraw/zinc/94/81/46/431948146.db2.gz ICHDMBOHZYUSCX-UHFFFAOYSA-N 1 0 312.797 3.375 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000451091939 281019593 /nfs/dbraw/zinc/01/95/93/281019593.db2.gz KVHBBCTYXHTUSM-UKRRQHHQSA-N 1 0 317.433 3.380 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173306011 432270726 /nfs/dbraw/zinc/27/07/26/432270726.db2.gz UODAAWHINRJDSV-LBPRGKRZSA-N 1 0 304.321 3.464 20 5 DGBDRO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000248437281 432290163 /nfs/dbraw/zinc/29/01/63/432290163.db2.gz SLQVKGQSXLXZST-VNHYZAJKSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000248437280 432290704 /nfs/dbraw/zinc/29/07/04/432290704.db2.gz SLQVKGQSXLXZST-UMVBOHGHSA-N 1 0 317.389 3.044 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2C2CCC2)c2c(c1)COCO2 ZINC000102926772 431999676 /nfs/dbraw/zinc/99/96/76/431999676.db2.gz JLLLGOWSYHPLQE-INIZCTEOSA-N 1 0 318.373 3.226 20 5 DGBDRO COC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000271036968 432318484 /nfs/dbraw/zinc/31/84/84/432318484.db2.gz KFFVAIYPZDPNAS-UHFFFAOYSA-N 1 0 316.357 3.466 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCOCC2CC2)cc1[N+](=O)[O-] ZINC000271071096 432327077 /nfs/dbraw/zinc/32/70/77/432327077.db2.gz FDIVQSHUDOKPPD-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO Cc1noc([C@@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000249707310 432355330 /nfs/dbraw/zinc/35/53/30/432355330.db2.gz PMZGICJBJMZXNR-BXUZGUMPSA-N 1 0 316.361 3.227 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCCO ZINC000271168857 432342409 /nfs/dbraw/zinc/34/24/09/432342409.db2.gz UAFNEHHIENWXPD-STQMWFEESA-N 1 0 312.435 3.216 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2CC)cc1[N+](=O)[O-] ZINC000152600229 432343244 /nfs/dbraw/zinc/34/32/44/432343244.db2.gz SBQJVWXETDXHSX-DZGCQCFKSA-N 1 0 321.421 3.128 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCC1(C[NH+](C)C)CCCC1 ZINC000184070773 432352100 /nfs/dbraw/zinc/35/21/00/432352100.db2.gz OHZUSZDWEHBVSE-UHFFFAOYSA-N 1 0 321.421 3.275 20 5 DGBDRO COc1cc(C[N@H+](C)CCc2ccccc2)c([N+](=O)[O-])cc1F ZINC000184247032 432371797 /nfs/dbraw/zinc/37/17/97/432371797.db2.gz JBXWDYRGEXQOCA-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192525941 432383294 /nfs/dbraw/zinc/38/32/94/432383294.db2.gz CRQVOYWZNGTJOG-GHMZBOCLSA-N 1 0 310.423 3.116 20 5 DGBDRO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184391128 432385948 /nfs/dbraw/zinc/38/59/48/432385948.db2.gz HSXHTAFKJQVGDV-LBPRGKRZSA-N 1 0 321.402 3.479 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000271411391 432391340 /nfs/dbraw/zinc/39/13/40/432391340.db2.gz ABNHKYAGQNWHIG-MLGOLLRUSA-N 1 0 318.348 3.427 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000184442302 432391995 /nfs/dbraw/zinc/39/19/95/432391995.db2.gz ULFIHRZVVMGDIP-ZIAGYGMSSA-N 1 0 321.402 3.134 20 5 DGBDRO CCc1nnc([C@H](C)N[C@H](CC)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271425147 432392465 /nfs/dbraw/zinc/39/24/65/432392465.db2.gz CKKMSRZCAJOKOW-GXFFZTMASA-N 1 0 303.366 3.077 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000175058517 432392678 /nfs/dbraw/zinc/39/26/78/432392678.db2.gz ZLJUGMDDCSMIIY-GFCCVEGCSA-N 1 0 323.393 3.079 20 5 DGBDRO CCC(CC)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192698722 432402133 /nfs/dbraw/zinc/40/21/33/432402133.db2.gz MMNFRERWAINBSP-SECBINFHSA-N 1 0 313.785 3.353 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)CC1 ZINC000249842742 432359014 /nfs/dbraw/zinc/35/90/14/432359014.db2.gz YHUJUZXJOAEXMY-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1O ZINC000250081602 432364510 /nfs/dbraw/zinc/36/45/10/432364510.db2.gz PFMHNSLPRXTFNE-BLLLJJGKSA-N 1 0 316.357 3.058 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCCCCO ZINC000192925697 432429259 /nfs/dbraw/zinc/42/92/59/432429259.db2.gz NFAGJPSZQHGOCM-GDBMZVCRSA-N 1 0 306.406 3.058 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@](C)(O)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000153758381 432439470 /nfs/dbraw/zinc/43/94/70/432439470.db2.gz XQNRKCNDWHUMSZ-IGCXYCKISA-N 1 0 324.421 3.441 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000193024606 432440278 /nfs/dbraw/zinc/44/02/78/432440278.db2.gz XZIKSKHVXWUGKW-OAHLLOKOSA-N 1 0 301.346 3.239 20 5 DGBDRO Cc1cnc([C@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000184992001 432454759 /nfs/dbraw/zinc/45/47/59/432454759.db2.gz BURITUGMYOJLKQ-LBPRGKRZSA-N 1 0 321.402 3.479 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCO[C@@H]21 ZINC000153906896 432455468 /nfs/dbraw/zinc/45/54/68/432455468.db2.gz DAHAAHBBLVBQFT-BNOWGMLFSA-N 1 0 310.781 3.151 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)ccc1Cl ZINC000153433250 432408953 /nfs/dbraw/zinc/40/89/53/432408953.db2.gz XXEKUAWSKJICQS-GFCCVEGCSA-N 1 0 310.781 3.249 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C[NH2+]1 ZINC000262048346 432471955 /nfs/dbraw/zinc/47/19/55/432471955.db2.gz PZCDPLFWZKQNDA-OLZOCXBDSA-N 1 0 315.373 3.037 20 5 DGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175868715 432473615 /nfs/dbraw/zinc/47/36/15/432473615.db2.gz WBAJGNMOMCAYSU-CQSZACIVSA-N 1 0 306.362 3.130 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000154199903 432481365 /nfs/dbraw/zinc/48/13/65/432481365.db2.gz MLCCWQRVFFUTBH-MLGOLLRUSA-N 1 0 308.378 3.213 20 5 DGBDRO CC(C)c1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176192575 432500283 /nfs/dbraw/zinc/50/02/83/432500283.db2.gz NKYZIIOOPOLPNT-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000193328137 432466297 /nfs/dbraw/zinc/46/62/97/432466297.db2.gz KSRGOOCIBDGQOL-FZMZJTMJSA-N 1 0 316.361 3.313 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C)C[NH2+]1 ZINC000262035935 432469479 /nfs/dbraw/zinc/46/94/79/432469479.db2.gz OPRFTPYYVIHKIX-CHWSQXEVSA-N 1 0 315.373 3.037 20 5 DGBDRO COc1cccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000194414788 432549956 /nfs/dbraw/zinc/54/99/56/432549956.db2.gz IHXAAZULOMGTBX-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185611025 432514860 /nfs/dbraw/zinc/51/48/60/432514860.db2.gz JKTHOIUMUNZHNB-ABAIWWIYSA-N 1 0 306.362 3.082 20 5 DGBDRO Cn1ccnc1[C@@H]([NH2+]C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272521987 432516067 /nfs/dbraw/zinc/51/60/67/432516067.db2.gz LLHZGOJIFBLBPP-INIZCTEOSA-N 1 0 314.389 3.340 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000185688231 432524512 /nfs/dbraw/zinc/52/45/12/432524512.db2.gz DKYZCMNMGWLTQG-KBXCAEBGSA-N 1 0 313.401 3.376 20 5 DGBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185814418 432534604 /nfs/dbraw/zinc/53/46/04/432534604.db2.gz AJULXVPCKMMHEQ-HSWBROFVSA-N 1 0 316.357 3.272 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)c1ccco1 ZINC000186560065 432608007 /nfs/dbraw/zinc/60/80/07/432608007.db2.gz XXYQCGCBXHABGR-DZGCQCFKSA-N 1 0 318.373 3.222 20 5 DGBDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000177322206 432612345 /nfs/dbraw/zinc/61/23/45/432612345.db2.gz PSRMBHYTRGEICN-KRWDZBQOSA-N 1 0 318.373 3.496 20 5 DGBDRO CCC[C@@H](CC)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000194909114 432585793 /nfs/dbraw/zinc/58/57/93/432585793.db2.gz UYSPOHAQXDLYME-CYBMUJFWSA-N 1 0 316.361 3.089 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000186395924 432590866 /nfs/dbraw/zinc/59/08/66/432590866.db2.gz CFXSVLPAWYEUJE-IAGOWNOFSA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)C(C)C ZINC000263962802 432598269 /nfs/dbraw/zinc/59/82/69/432598269.db2.gz PQRANBKBDHCOMO-ZDUSSCGKSA-N 1 0 307.394 3.208 20 5 DGBDRO C[C@H]([N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(C)CC1 ZINC000177215889 432599667 /nfs/dbraw/zinc/59/96/67/432599667.db2.gz DCHQKDCTLOAYSM-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO CO[C@H](C)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000274373626 432659028 /nfs/dbraw/zinc/65/90/28/432659028.db2.gz QTLJLTJOFBKRRO-YCPHGPKFSA-N 1 0 306.406 3.321 20 5 DGBDRO CC[C@H]([NH2+]Cc1cccc(CO)c1)c1cccc([N+](=O)[O-])c1 ZINC000177841878 432667800 /nfs/dbraw/zinc/66/78/00/432667800.db2.gz UAUYCYIJGRATCX-KRWDZBQOSA-N 1 0 300.358 3.328 20 5 DGBDRO CC(C)c1ccc(C(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000188063319 432701527 /nfs/dbraw/zinc/70/15/27/432701527.db2.gz MUSHZKQJHJPJDH-UHFFFAOYSA-N 1 0 321.421 3.130 20 5 DGBDRO CCC([NH3+])(CC)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178276556 432715398 /nfs/dbraw/zinc/71/53/98/432715398.db2.gz WCMBIGCYCOXLMR-UHFFFAOYSA-N 1 0 321.402 3.057 20 5 DGBDRO Cc1cccc(N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000188382670 432721413 /nfs/dbraw/zinc/72/14/13/432721413.db2.gz ZNKUCHKYYXKHPK-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO CCC[C@H]([NH2+]CCSCCCO)c1cccc([N+](=O)[O-])c1 ZINC000223271918 432675731 /nfs/dbraw/zinc/67/57/31/432675731.db2.gz MRUGTOIELLAPQY-HNNXBMFYSA-N 1 0 312.435 3.141 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000188806870 432747280 /nfs/dbraw/zinc/74/72/80/432747280.db2.gz IQLRBMJOPNUYGR-YUTCNCBUSA-N 1 0 308.378 3.212 20 5 DGBDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000161071787 432757716 /nfs/dbraw/zinc/75/77/16/432757716.db2.gz XIGMPEUTMCSYDD-SUMWQHHRSA-N 1 0 300.358 3.369 20 5 DGBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178641587 432761486 /nfs/dbraw/zinc/76/14/86/432761486.db2.gz ROEFEVTWDFFXQR-LBPRGKRZSA-N 1 0 313.357 3.404 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000178640043 432761528 /nfs/dbraw/zinc/76/15/28/432761528.db2.gz HDMCGVGSRBJTRK-LBPRGKRZSA-N 1 0 314.341 3.217 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccco2)CC1 ZINC000266539621 432761660 /nfs/dbraw/zinc/76/16/60/432761660.db2.gz PFMKIYRCAFKLFS-CQSZACIVSA-N 1 0 315.373 3.067 20 5 DGBDRO Cc1ccnc(NCc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000275979016 432765454 /nfs/dbraw/zinc/76/54/54/432765454.db2.gz AZCYSGXZUKFQSP-UHFFFAOYSA-N 1 0 314.389 3.014 20 5 DGBDRO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680678 432766809 /nfs/dbraw/zinc/76/68/09/432766809.db2.gz UBHJKKOUBAWFAS-QWHCGFSZSA-N 1 0 321.421 3.247 20 5 DGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178718921 432770288 /nfs/dbraw/zinc/77/02/88/432770288.db2.gz ZFXZAJOYFLYPQZ-VXGBXAGGSA-N 1 0 302.378 3.357 20 5 DGBDRO C[NH+](C)CCc1ccccc1NCc1csc([N+](=O)[O-])c1 ZINC000275551723 432728011 /nfs/dbraw/zinc/72/80/11/432728011.db2.gz CHZHZSDGJQJUCC-UHFFFAOYSA-N 1 0 305.403 3.373 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000160581566 432730131 /nfs/dbraw/zinc/73/01/31/432730131.db2.gz MMJZTQICBMYBDA-ZDUSSCGKSA-N 1 0 307.394 3.291 20 5 DGBDRO CCC(C)(C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275628293 432736840 /nfs/dbraw/zinc/73/68/40/432736840.db2.gz PRULRTQELBQOQK-UHFFFAOYSA-N 1 0 311.357 3.183 20 5 DGBDRO CC(C)(C)OC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000162330342 432819943 /nfs/dbraw/zinc/81/99/43/432819943.db2.gz NTJSEXXJVHGDDU-UHFFFAOYSA-N 1 0 322.405 3.253 20 5 DGBDRO CCCC[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000267235164 432824819 /nfs/dbraw/zinc/82/48/19/432824819.db2.gz QQSSYLWIEDYPDJ-UHFFFAOYSA-N 1 0 320.437 3.247 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276967988 432827579 /nfs/dbraw/zinc/82/75/79/432827579.db2.gz DHRULFOPNJUUEB-CQSZACIVSA-N 1 0 314.389 3.064 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000277150193 432830510 /nfs/dbraw/zinc/83/05/10/432830510.db2.gz JPCZMEWPKMRGDI-CQSZACIVSA-N 1 0 311.813 3.164 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245441229 432832599 /nfs/dbraw/zinc/83/25/99/432832599.db2.gz HDULZPMMDJAXCT-XJKSGUPXSA-N 1 0 317.389 3.106 20 5 DGBDRO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000267881563 432836725 /nfs/dbraw/zinc/83/67/25/432836725.db2.gz PWZASTFPCIVJJC-LBPRGKRZSA-N 1 0 323.393 3.052 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(n2ccnc2)CC1 ZINC000266746951 432783977 /nfs/dbraw/zinc/78/39/77/432783977.db2.gz OWZBIJJAQZDUOK-CYBMUJFWSA-N 1 0 300.362 3.189 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000266762844 432785189 /nfs/dbraw/zinc/78/51/89/432785189.db2.gz QNTLUNXTZSLTGO-GFCCVEGCSA-N 1 0 300.362 3.259 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCOC3)o2)c(Cl)c1 ZINC000178996121 432793956 /nfs/dbraw/zinc/79/39/56/432793956.db2.gz ZGZXEGFIPSGGJQ-JTQLQIEISA-N 1 0 322.748 3.387 20 5 DGBDRO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000276359915 432801737 /nfs/dbraw/zinc/80/17/37/432801737.db2.gz YMDHPGLWBVJMOH-UHFFFAOYSA-N 1 0 304.321 3.375 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(CC[NH+](C)C)cc2)n1 ZINC000276386492 432802776 /nfs/dbraw/zinc/80/27/76/432802776.db2.gz ZUJGYWLHIYEXLV-UHFFFAOYSA-N 1 0 314.389 3.014 20 5 DGBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000237899863 432803191 /nfs/dbraw/zinc/80/31/91/432803191.db2.gz ARVZFDNKTLLCCO-CQSZACIVSA-N 1 0 319.408 3.199 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000245847880 432865021 /nfs/dbraw/zinc/86/50/21/432865021.db2.gz FGIIERVKRYLORS-SRMUXQRQSA-N 1 0 302.374 3.203 20 5 DGBDRO COc1cc(NCC2CC[NH+](C3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000277619080 432865100 /nfs/dbraw/zinc/86/51/00/432865100.db2.gz BSUCCPJYTUAMHN-UHFFFAOYSA-N 1 0 323.368 3.029 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245850876 432865758 /nfs/dbraw/zinc/86/57/58/432865758.db2.gz GILXJIIXGUUMDB-NUEKZKHPSA-N 1 0 302.374 3.032 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000246001734 432874239 /nfs/dbraw/zinc/87/42/39/432874239.db2.gz YHSDTKYOJNHRLS-NEPJUHHUSA-N 1 0 301.346 3.480 20 5 DGBDRO CC(=O)c1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000288084209 432886171 /nfs/dbraw/zinc/88/61/71/432886171.db2.gz ZMLNUXVTHAGURX-AWEZNQCLSA-N 1 0 319.405 3.187 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)c1ccccc1)CCC2 ZINC000278156541 432888839 /nfs/dbraw/zinc/88/88/39/432888839.db2.gz APMKNSDSZZFQHX-MSOLQXFVSA-N 1 0 312.369 3.295 20 5 DGBDRO CC[C@H](COC)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245542300 432841688 /nfs/dbraw/zinc/84/16/88/432841688.db2.gz LFLRRZFJOUJYFR-NUEKZKHPSA-N 1 0 306.406 3.321 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCSCCCO)c2cc([N+](=O)[O-])ccc21 ZINC000278971802 432923560 /nfs/dbraw/zinc/92/35/60/432923560.db2.gz CDRHUPKZUYUXJK-OAHLLOKOSA-N 1 0 324.446 3.022 20 5 DGBDRO CC(C)c1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330680310 432924962 /nfs/dbraw/zinc/92/49/62/432924962.db2.gz YKDGLYRCUKRESL-HIFRSBDPSA-N 1 0 305.422 3.291 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000279044416 432929491 /nfs/dbraw/zinc/92/94/91/432929491.db2.gz XMKBFPHTOUGERP-KBPBESRZSA-N 1 0 314.389 3.013 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCC1(C)C ZINC000331192590 432935187 /nfs/dbraw/zinc/93/51/87/432935187.db2.gz WPQPDSYHRKAOFQ-CYBMUJFWSA-N 1 0 305.378 3.010 20 5 DGBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331275941 432938461 /nfs/dbraw/zinc/93/84/61/432938461.db2.gz FKPSNMIRQFIFKV-GYSYKLTISA-N 1 0 312.797 3.230 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCC3CCCC3)C2)nc1 ZINC000331523103 432946969 /nfs/dbraw/zinc/94/69/69/432946969.db2.gz ZJQNALQJPDWLFQ-CQSZACIVSA-N 1 0 304.394 3.056 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279226532 432948046 /nfs/dbraw/zinc/94/80/46/432948046.db2.gz IQVYTFWBIVTKOO-RISCZKNCSA-N 1 0 316.361 3.313 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn[nH]c1 ZINC000289754542 432972616 /nfs/dbraw/zinc/97/26/16/432972616.db2.gz LHSJDWFEBUTTON-CYBMUJFWSA-N 1 0 320.418 3.021 20 5 DGBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279472075 432973731 /nfs/dbraw/zinc/97/37/31/432973731.db2.gz KALUEKUDGTXXHV-IUCAKERBSA-N 1 0 306.284 3.127 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000341149607 432977296 /nfs/dbraw/zinc/97/72/96/432977296.db2.gz TXYPTVIOYQUOLT-LBPRGKRZSA-N 1 0 317.393 3.070 20 5 DGBDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332231562 432988458 /nfs/dbraw/zinc/98/84/58/432988458.db2.gz MECAACSGYSBAEJ-HNNXBMFYSA-N 1 0 302.378 3.482 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1(C)C ZINC000332231043 432989007 /nfs/dbraw/zinc/98/90/07/432989007.db2.gz QDHPFNUFGIDZBN-LBPRGKRZSA-N 1 0 320.389 3.329 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279303197 432953893 /nfs/dbraw/zinc/95/38/93/432953893.db2.gz QMFGVHAHFLAAIM-QWHCGFSZSA-N 1 0 305.378 3.092 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331653517 432956071 /nfs/dbraw/zinc/95/60/71/432956071.db2.gz RFJRWUJVLOHWLU-ZIAGYGMSSA-N 1 0 320.418 3.435 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332669618 433011325 /nfs/dbraw/zinc/01/13/25/433011325.db2.gz DTNYVGWDBZTWAI-VUCTXSBTSA-N 1 0 306.406 3.359 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2c[nH]c3nccnc23)C2CC2)cc1 ZINC000290366170 433041167 /nfs/dbraw/zinc/04/11/67/433041167.db2.gz HFQQXLYDXLWSAB-UHFFFAOYSA-N 1 0 323.356 3.031 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccco1)C1CC1 ZINC000155930290 292720101 /nfs/dbraw/zinc/72/01/01/292720101.db2.gz QZEJWHOQGADPAF-INIZCTEOSA-N 1 0 300.358 3.341 20 5 DGBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000280504047 433063406 /nfs/dbraw/zinc/06/34/06/433063406.db2.gz GIDVVPWTKJWFBC-TVQRCGJNSA-N 1 0 318.295 3.128 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(F)c1 ZINC000354429432 433074512 /nfs/dbraw/zinc/07/45/12/433074512.db2.gz LULGMUAQWRNFSB-MRXNPFEDSA-N 1 0 320.364 3.125 20 5 DGBDRO CSCC[C@@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361275200 433077588 /nfs/dbraw/zinc/07/75/88/433077588.db2.gz VOMDWDKHJVBJFP-SNVBAGLBSA-N 1 0 308.407 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)CC2CCCC2)c(F)c1 ZINC000341471961 433079162 /nfs/dbraw/zinc/07/91/62/433079162.db2.gz UQZBBXNGKGFSNC-ZDUSSCGKSA-N 1 0 310.369 3.012 20 5 DGBDRO CC[C@@](C)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000453309833 433081384 /nfs/dbraw/zinc/08/13/84/433081384.db2.gz XZVHGKBBAFFHAG-RDJZCZTQSA-N 1 0 306.406 3.321 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]2CCCO[C@H]21 ZINC000350284514 433127535 /nfs/dbraw/zinc/12/75/35/433127535.db2.gz AUVVXMKYFUWYGP-NWANDNLSSA-N 1 0 308.353 3.027 20 5 DGBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C1CC1 ZINC000290749469 433154770 /nfs/dbraw/zinc/15/47/70/433154770.db2.gz INXZIVPRWJEPPZ-INIZCTEOSA-N 1 0 317.389 3.044 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000453333950 433100859 /nfs/dbraw/zinc/10/08/59/433100859.db2.gz WWCLSQCMIUGZGN-NJZAAPMLSA-N 1 0 308.378 3.212 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000350478739 433177706 /nfs/dbraw/zinc/17/77/06/433177706.db2.gz NGSFQKBXQMESFW-BLLLJJGKSA-N 1 0 302.378 3.000 20 5 DGBDRO CCC[C@]1(COC)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000447400278 433196406 /nfs/dbraw/zinc/19/64/06/433196406.db2.gz ZKFISHQTCZEWTP-QGZVFWFLSA-N 1 0 306.406 3.418 20 5 DGBDRO CCC[C@@]1(COC)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000447400277 433196893 /nfs/dbraw/zinc/19/68/93/433196893.db2.gz ZKFISHQTCZEWTP-KRWDZBQOSA-N 1 0 306.406 3.418 20 5 DGBDRO COc1ccc(C[N@H+](C)C2CC(OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000341665700 433199440 /nfs/dbraw/zinc/19/94/40/433199440.db2.gz MKIVFSBHJSBZPL-UHFFFAOYSA-N 1 0 322.405 3.381 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000280876403 433205481 /nfs/dbraw/zinc/20/54/81/433205481.db2.gz DRQHADLYRPUURR-NSHDSACASA-N 1 0 300.305 3.128 20 5 DGBDRO C[C@H]1CCCN(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447550423 433223684 /nfs/dbraw/zinc/22/36/84/433223684.db2.gz NAKPTNGDLQGMHO-KSSFIOAISA-N 1 0 317.433 3.294 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000298725302 433228268 /nfs/dbraw/zinc/22/82/68/433228268.db2.gz LRAVEDZRLOTJBX-UHFFFAOYSA-N 1 0 322.365 3.178 20 5 DGBDRO CCSCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000337435833 433232107 /nfs/dbraw/zinc/23/21/07/433232107.db2.gz WONPNVXBDJAFHL-CHWSQXEVSA-N 1 0 312.439 3.008 20 5 DGBDRO CCCC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447583952 433234946 /nfs/dbraw/zinc/23/49/46/433234946.db2.gz CWGKFFGYOCHFOL-ZIAGYGMSSA-N 1 0 306.410 3.445 20 5 DGBDRO CON1CCC([N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000453611096 433235486 /nfs/dbraw/zinc/23/54/86/433235486.db2.gz ZBLURZREBUMITO-UHFFFAOYSA-N 1 0 321.421 3.176 20 5 DGBDRO CCc1nn(C)cc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447580836 433236393 /nfs/dbraw/zinc/23/63/93/433236393.db2.gz QJQSWFSXNLOEKB-QGZVFWFLSA-N 1 0 314.389 3.058 20 5 DGBDRO CC(C)C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447580540 433236575 /nfs/dbraw/zinc/23/65/75/433236575.db2.gz OTWFHLDCMLQUHI-ZIAGYGMSSA-N 1 0 306.410 3.301 20 5 DGBDRO CCC1CCC([N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000350671294 433253194 /nfs/dbraw/zinc/25/31/94/433253194.db2.gz WLNPXGXDWOESQN-UHFFFAOYSA-N 1 0 306.410 3.225 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CC3CC3)C3CCC3)nc2c1 ZINC000361580616 433258887 /nfs/dbraw/zinc/25/88/87/433258887.db2.gz ZTPYCYXDIXZJAF-UHFFFAOYSA-N 1 0 300.362 3.236 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CC1CC1)C1CCC1 ZINC000361578236 433258909 /nfs/dbraw/zinc/25/89/09/433258909.db2.gz OAFSDIKHNQHRKW-UHFFFAOYSA-N 1 0 317.389 3.106 20 5 DGBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000447906287 433320105 /nfs/dbraw/zinc/32/01/05/433320105.db2.gz XAVBVDLJAXVVLP-RCMYXZNBSA-N 1 0 317.433 3.318 20 5 DGBDRO C[N@H+](CCNc1c(F)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000341817758 433294178 /nfs/dbraw/zinc/29/41/78/433294178.db2.gz BKYINTBKMXWSLC-UHFFFAOYSA-N 1 0 303.337 3.278 20 5 DGBDRO CC[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000291801654 433358091 /nfs/dbraw/zinc/35/80/91/433358091.db2.gz XFVMLRYOHRISHV-NSHDSACASA-N 1 0 306.387 3.184 20 5 DGBDRO C[N@H+](CCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000281729276 433363451 /nfs/dbraw/zinc/36/34/51/433363451.db2.gz JEQCNIRXDKIXHG-UHFFFAOYSA-N 1 0 306.387 3.138 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000281680984 433344197 /nfs/dbraw/zinc/34/41/97/433344197.db2.gz RKQFELRCFQVDNB-BBRMVZONSA-N 1 0 319.405 3.037 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1CCOC[C@@H]1OCC)c1cccc([N+](=O)[O-])c1 ZINC000354977839 433388525 /nfs/dbraw/zinc/38/85/25/433388525.db2.gz GNUKRNVQNCJDIG-BBWFWOEESA-N 1 0 322.405 3.220 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000375236303 433391611 /nfs/dbraw/zinc/39/16/11/433391611.db2.gz FPONEUSHRVBOEO-AWEZNQCLSA-N 1 0 304.390 3.294 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421020994 433391626 /nfs/dbraw/zinc/39/16/26/433391626.db2.gz RWAIRVHMQBGFEV-GFCCVEGCSA-N 1 0 312.797 3.233 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCCCC3)ccc2c1 ZINC000301064091 433396639 /nfs/dbraw/zinc/39/66/39/433396639.db2.gz CUUPTFFCZALZPP-UHFFFAOYSA-N 1 0 300.362 3.041 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000301057232 433397192 /nfs/dbraw/zinc/39/71/92/433397192.db2.gz ANWFUVXLCZCCTE-UHFFFAOYSA-N 1 0 315.348 3.204 20 5 DGBDRO C[NH+](C)[C@H](CNc1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000301057160 433398695 /nfs/dbraw/zinc/39/86/95/433398695.db2.gz AJEUKTHQVQHUQI-AWEZNQCLSA-N 1 0 317.364 3.319 20 5 DGBDRO CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H](C)C1 ZINC000281860780 433409264 /nfs/dbraw/zinc/40/92/64/433409264.db2.gz ALUZVHARBLHNQK-XJKSGUPXSA-N 1 0 322.405 3.381 20 5 DGBDRO C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000339213101 433443124 /nfs/dbraw/zinc/44/31/24/433443124.db2.gz POXMBMLWDNQOQI-GFCCVEGCSA-N 1 0 314.341 3.084 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301248414 433469818 /nfs/dbraw/zinc/46/98/18/433469818.db2.gz AGOJLLWKMPJJSK-GHMZBOCLSA-N 1 0 312.801 3.176 20 5 DGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301744514 290240039 /nfs/dbraw/zinc/24/00/39/290240039.db2.gz ZXXCXQSEVJHVTB-FZMZJTMJSA-N 1 0 309.797 3.169 20 5 DGBDRO CC(C)([NH2+]C[C@H](O)c1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000292133269 433474364 /nfs/dbraw/zinc/47/43/64/433474364.db2.gz LLJILURIIZMCNB-INIZCTEOSA-N 1 0 318.348 3.292 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266534342 290266771 /nfs/dbraw/zinc/26/67/71/290266771.db2.gz NGAKHMFSJFXASB-CABCVRRESA-N 1 0 303.406 3.074 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451421934 290267301 /nfs/dbraw/zinc/26/73/01/290267301.db2.gz QRPMZYDADNHSES-JWDQPFGJSA-N 1 0 304.390 3.281 20 5 DGBDRO CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000301342866 433513646 /nfs/dbraw/zinc/51/36/46/433513646.db2.gz JIARRWKSOLGNQU-LLVKDONJSA-N 1 0 317.311 3.144 20 5 DGBDRO CC[C@H](C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000421368878 433517303 /nfs/dbraw/zinc/51/73/03/433517303.db2.gz BYYHDMZYQUFWIY-WFASDCNBSA-N 1 0 302.378 3.053 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000414319706 433537561 /nfs/dbraw/zinc/53/75/61/433537561.db2.gz ZRZHOFKIKVKVDF-WFASDCNBSA-N 1 0 318.348 3.161 20 5 DGBDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)O1 ZINC000414252106 433489040 /nfs/dbraw/zinc/48/90/40/433489040.db2.gz HLWUEYYNPODUMJ-LGIULTMTSA-N 1 0 304.390 3.375 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426456226 433500980 /nfs/dbraw/zinc/50/09/80/433500980.db2.gz DBLNPKJHOYLXJO-XJKSGUPXSA-N 1 0 317.389 3.106 20 5 DGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000375746099 433552862 /nfs/dbraw/zinc/55/28/62/433552862.db2.gz WXUPXTNCTJUJTL-BOOVAVIHSA-N 1 0 322.792 3.103 20 5 DGBDRO Cc1cc(NC[C@H](C2CCCCC2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000301431582 433554484 /nfs/dbraw/zinc/55/44/84/433554484.db2.gz JYRUIJNPBKMTDD-OAHLLOKOSA-N 1 0 306.410 3.221 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000339398591 433559279 /nfs/dbraw/zinc/55/92/79/433559279.db2.gz VZSPGXIATLBDJF-LLVKDONJSA-N 1 0 316.317 3.437 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CNCc1nccc(C(F)F)n1 ZINC000342244604 433559294 /nfs/dbraw/zinc/55/92/94/433559294.db2.gz KGHOFDHTGIELBF-HWKANZROSA-N 1 0 320.299 3.125 20 5 DGBDRO CCOc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301516355 433592259 /nfs/dbraw/zinc/59/22/59/433592259.db2.gz GLWNZEZJFSKRJR-GXTWGEPZSA-N 1 0 307.394 3.278 20 5 DGBDRO Cc1cnc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301414180 433542527 /nfs/dbraw/zinc/54/25/27/433542527.db2.gz BIUXWWASZAKPAZ-LBPRGKRZSA-N 1 0 306.410 3.221 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301602325 433635299 /nfs/dbraw/zinc/63/52/99/433635299.db2.gz WFBYGZVKFXQMJD-KBPBESRZSA-N 1 0 314.389 3.428 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000414478882 433644567 /nfs/dbraw/zinc/64/45/67/433644567.db2.gz QEIDZXQWVOFHAB-OIQJVACTSA-N 1 0 308.353 3.059 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOC1CCCC1)C1CC1 ZINC000163246481 292865576 /nfs/dbraw/zinc/86/55/76/292865576.db2.gz JWOIGDMNQVCSFH-KRWDZBQOSA-N 1 0 318.417 3.465 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCOC)CC(C)C ZINC000351596985 433603372 /nfs/dbraw/zinc/60/33/72/433603372.db2.gz HURHWQFQANSGMI-UHFFFAOYSA-N 1 0 310.394 3.098 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCOC3(CCCCC3)C2)cc1F ZINC000283025532 433648546 /nfs/dbraw/zinc/64/85/46/433648546.db2.gz HFSSYOBQNGFUFD-UHFFFAOYSA-N 1 0 308.353 3.269 20 5 DGBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CS1 ZINC000414496893 433665696 /nfs/dbraw/zinc/66/56/96/433665696.db2.gz DZSWCSGACQEHDG-WCBMZHEXSA-N 1 0 318.345 3.180 20 5 DGBDRO Cc1nc(NCCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000301665866 433666763 /nfs/dbraw/zinc/66/67/63/433666763.db2.gz WQBIDHKFNBHEJY-UHFFFAOYSA-N 1 0 306.410 3.365 20 5 DGBDRO CO[C@@](C)([C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414499100 433667864 /nfs/dbraw/zinc/66/78/64/433667864.db2.gz JHODXHWOSXNEQR-YIZGGREMSA-N 1 0 304.390 3.401 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283196288 433690548 /nfs/dbraw/zinc/69/05/48/433690548.db2.gz GCATYVZKSSWEKX-UKRRQHHQSA-N 1 0 317.389 3.188 20 5 DGBDRO C[NH+](C)Cc1ccc(NCc2csc([N+](=O)[O-])c2)c(F)c1 ZINC000414485414 433651738 /nfs/dbraw/zinc/65/17/38/433651738.db2.gz IVGMIRRUSANNNO-UHFFFAOYSA-N 1 0 309.366 3.469 20 5 DGBDRO Cc1ccoc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293341614 433704742 /nfs/dbraw/zinc/70/47/42/433704742.db2.gz GPADNYRUOBTTPP-GFCCVEGCSA-N 1 0 317.345 3.003 20 5 DGBDRO Cc1c(CN2CCOC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000362432526 433710942 /nfs/dbraw/zinc/71/09/42/433710942.db2.gz AKTXYGHPEALYJW-SFHVURJKSA-N 1 0 312.369 3.477 20 5 DGBDRO COC[C@H]1CCCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000376367330 433721587 /nfs/dbraw/zinc/72/15/87/433721587.db2.gz KXQBSVOPRNYTIE-ZDUSSCGKSA-N 1 0 312.797 3.497 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](CC4CC4)C3)nc2c1 ZINC000339682737 433728592 /nfs/dbraw/zinc/72/85/92/433728592.db2.gz LIIURTIFVSGYPP-LBPRGKRZSA-N 1 0 300.362 3.093 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339685306 433731023 /nfs/dbraw/zinc/73/10/23/433731023.db2.gz YEKXQUGIJXALOM-OCCSQVGLSA-N 1 0 317.389 3.044 20 5 DGBDRO CC(C)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283531916 433738279 /nfs/dbraw/zinc/73/82/79/433738279.db2.gz NWWMYAIUPPYZDT-AWEZNQCLSA-N 1 0 305.378 3.044 20 5 DGBDRO CSCc1cnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000293436803 433739190 /nfs/dbraw/zinc/73/91/90/433739190.db2.gz BOXPXWQYMILMNM-UHFFFAOYSA-N 1 0 323.443 3.247 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000421824075 433747068 /nfs/dbraw/zinc/74/70/68/433747068.db2.gz GYXQGSZMNIPVND-ZDUSSCGKSA-N 1 0 322.405 3.431 20 5 DGBDRO C/C(=C/c1nc(C2([NH3+])CCCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000414625433 433758089 /nfs/dbraw/zinc/75/80/89/433758089.db2.gz IERPKGQYGMERDB-KHPPLWFESA-N 1 0 314.345 3.266 20 5 DGBDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000293503227 433762672 /nfs/dbraw/zinc/76/26/72/433762672.db2.gz UPKFFBUWEVHGBO-NWDGAFQWSA-N 1 0 301.346 3.133 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)COCC(F)(F)F ZINC000449099921 433723206 /nfs/dbraw/zinc/72/32/06/433723206.db2.gz PGVVDAGYCIHOGL-MNOVXSKESA-N 1 0 320.311 3.083 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000283849004 433788662 /nfs/dbraw/zinc/78/86/62/433788662.db2.gz UAFZWGQWYKKZHN-CQSZACIVSA-N 1 0 305.378 3.084 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000449780876 433791070 /nfs/dbraw/zinc/79/10/70/433791070.db2.gz GTHRMTSGEGHCOO-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO Cc1cc(N(C)[C@@H]2CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000343270325 433795912 /nfs/dbraw/zinc/79/59/12/433795912.db2.gz NKJDVARRYWNJLB-CYBMUJFWSA-N 1 0 301.346 3.067 20 5 DGBDRO C[NH+](C)CCCC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301944173 433804358 /nfs/dbraw/zinc/80/43/58/433804358.db2.gz WPXZZSHMUUXVKN-UHFFFAOYSA-N 1 0 309.385 3.292 20 5 DGBDRO C[C@H]1[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343424068 433806828 /nfs/dbraw/zinc/80/68/28/433806828.db2.gz CIDIWZACOJMOLC-AAEUAGOBSA-N 1 0 300.362 3.038 20 5 DGBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCC[N@@H+]1C ZINC000343480380 433808779 /nfs/dbraw/zinc/80/87/79/433808779.db2.gz QWHQUWVJKMKFSG-RISCZKNCSA-N 1 0 300.362 3.038 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421922105 433809127 /nfs/dbraw/zinc/80/91/27/433809127.db2.gz ZSEGTZIWVHXKLY-AWEZNQCLSA-N 1 0 321.421 3.062 20 5 DGBDRO CC(=O)c1cc(NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000339970132 433874398 /nfs/dbraw/zinc/87/43/98/433874398.db2.gz ZINIINHMTLCSTP-UHFFFAOYSA-N 1 0 305.378 3.085 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000352038613 433876733 /nfs/dbraw/zinc/87/67/33/433876733.db2.gz KHOGGRMHENHLKA-ZDUSSCGKSA-N 1 0 321.421 3.178 20 5 DGBDRO C[C@@H](C1CCC1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000357034830 433832901 /nfs/dbraw/zinc/83/29/01/433832901.db2.gz JKHDFLUOXDGCAW-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@H](CCNc1ncccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000343884919 433833948 /nfs/dbraw/zinc/83/39/48/433833948.db2.gz PLAYRZOKDONAOH-CQSZACIVSA-N 1 0 314.389 3.312 20 5 DGBDRO CC(C)[N@H+](C)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433123577 433840542 /nfs/dbraw/zinc/84/05/42/433840542.db2.gz ZOADWNMZIJYGBO-INIZCTEOSA-N 1 0 305.422 3.247 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000433125502 433841473 /nfs/dbraw/zinc/84/14/73/433841473.db2.gz KRSPWXOKQOUQBQ-PXAZEXFGSA-N 1 0 317.433 3.390 20 5 DGBDRO C[C@H](CC[NH+](C)C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166122 433843754 /nfs/dbraw/zinc/84/37/54/433843754.db2.gz WWNFJNXMXHBWHS-WBMJQRKESA-N 1 0 305.422 3.247 20 5 DGBDRO CN(C)[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433160613 433844323 /nfs/dbraw/zinc/84/43/23/433844323.db2.gz WAZJJIJEXFBMQD-IRXDYDNUSA-N 1 0 317.433 3.247 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCO[C@@H]2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433304382 433846228 /nfs/dbraw/zinc/84/62/28/433846228.db2.gz NAJSTNWUXWEEHD-YESZJQIVSA-N 1 0 316.401 3.474 20 5 DGBDRO CC(C)C[C@@H](C[NH3+])NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414834110 433866537 /nfs/dbraw/zinc/86/65/37/433866537.db2.gz GPHGGKZFCIIZGO-AWEZNQCLSA-N 1 0 317.389 3.318 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCC[NH2+]C3)s2)cc1 ZINC000414869542 433895552 /nfs/dbraw/zinc/89/55/52/433895552.db2.gz RDEDUYZMHDRGFP-CYBMUJFWSA-N 1 0 317.414 3.165 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](O)CC3)o2)c1 ZINC000293870472 433901347 /nfs/dbraw/zinc/90/13/47/433901347.db2.gz CMEOUDXUFYGULT-HNNXBMFYSA-N 1 0 316.357 3.202 20 5 DGBDRO C[NH+](C)CC1(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CCCC1 ZINC000302907638 433901887 /nfs/dbraw/zinc/90/18/87/433901887.db2.gz XRJNLVIFWYIOKK-UHFFFAOYSA-N 1 0 318.421 3.097 20 5 DGBDRO C[C@H](CCO)C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000345169690 433902116 /nfs/dbraw/zinc/90/21/16/433902116.db2.gz GWCBOKFOFXNKQV-IJVDHGTGSA-N 1 0 318.417 3.386 20 5 DGBDRO Cc1ccnc(NCCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000303081325 433920240 /nfs/dbraw/zinc/92/02/40/433920240.db2.gz UBOKDIQMXLZQLR-UHFFFAOYSA-N 1 0 314.389 3.232 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422708985 433942560 /nfs/dbraw/zinc/94/25/60/433942560.db2.gz CPKCFGOXMQCCOJ-DZGCQCFKSA-N 1 0 321.421 3.004 20 5 DGBDRO CC[N@H+](CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C(C)C ZINC000436406760 433962480 /nfs/dbraw/zinc/96/24/80/433962480.db2.gz RSKQEQLDSXNJGL-UHFFFAOYSA-N 1 0 320.315 3.151 20 5 DGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285605514 434014827 /nfs/dbraw/zinc/01/48/27/434014827.db2.gz PTYLFZSNSLVNEI-GXTWGEPZSA-N 1 0 323.824 3.307 20 5 DGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000450215585 434036265 /nfs/dbraw/zinc/03/62/65/434036265.db2.gz KXDDSRWOEFLZOH-LLVKDONJSA-N 1 0 315.320 3.092 20 5 DGBDRO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000450226511 434038425 /nfs/dbraw/zinc/03/84/25/434038425.db2.gz LHVRDUOVGHXWNT-KSSFIOAISA-N 1 0 314.385 3.191 20 5 DGBDRO O=C(CN1CCC[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363384638 434039469 /nfs/dbraw/zinc/03/94/69/434039469.db2.gz NJMFGXVBPQXOFO-AWEZNQCLSA-N 1 0 323.780 3.061 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000357524155 434063871 /nfs/dbraw/zinc/06/38/71/434063871.db2.gz AUQCTDRHOILPBX-TZMCWYRMSA-N 1 0 319.405 3.495 20 5 DGBDRO COc1ccncc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000294339751 434094310 /nfs/dbraw/zinc/09/43/10/434094310.db2.gz PIKZFRVYKMGHES-ZDUSSCGKSA-N 1 0 315.373 3.109 20 5 DGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000294237795 434055102 /nfs/dbraw/zinc/05/51/02/434055102.db2.gz VWRBOSGEZATNTN-LBPRGKRZSA-N 1 0 321.421 3.113 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1-n1ccnn1 ZINC000353390921 434104345 /nfs/dbraw/zinc/10/43/45/434104345.db2.gz ATGFDAALQATFDW-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO C[C@H]1C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000450353812 434122764 /nfs/dbraw/zinc/12/27/64/434122764.db2.gz HBPUTWCYKHMEBI-RYUDHWBXSA-N 1 0 300.362 3.038 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CN(C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000378270882 434124609 /nfs/dbraw/zinc/12/46/09/434124609.db2.gz LCUHUZVSBHEBQL-KRWDZBQOSA-N 1 0 311.385 3.180 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285984062 434126551 /nfs/dbraw/zinc/12/65/51/434126551.db2.gz FMXSYANQNBDQDB-SWLSCSKDSA-N 1 0 305.378 3.010 20 5 DGBDRO CC(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000501929516 294154175 /nfs/dbraw/zinc/15/41/75/294154175.db2.gz QSEZPYWHJSVPSP-AWEZNQCLSA-N 1 0 319.405 3.291 20 5 DGBDRO CC(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000501929518 294154252 /nfs/dbraw/zinc/15/42/52/294154252.db2.gz QSEZPYWHJSVPSP-CQSZACIVSA-N 1 0 319.405 3.291 20 5 DGBDRO CC[C@H]1C[C@@]1([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C)c1 ZINC000502483472 294166923 /nfs/dbraw/zinc/16/69/23/294166923.db2.gz ITVYKJKHGYNDAK-YOEHRIQHSA-N 1 0 314.389 3.015 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)CC ZINC000504893462 294223346 /nfs/dbraw/zinc/22/33/46/294223346.db2.gz FSQRALSVTNIXCP-SWLSCSKDSA-N 1 0 312.435 3.216 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCOC1 ZINC000504918309 294224377 /nfs/dbraw/zinc/22/43/77/294224377.db2.gz GGVSIDOANKOJMG-XJKSGUPXSA-N 1 0 324.446 3.482 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000507448160 294298043 /nfs/dbraw/zinc/29/80/43/294298043.db2.gz ZBQLNNZKKNAVPN-DGCLKSJQSA-N 1 0 312.797 3.195 20 5 DGBDRO COc1cccc(C[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000357696554 434132691 /nfs/dbraw/zinc/13/26/91/434132691.db2.gz KONMIVBUJSFPSY-LBPRGKRZSA-N 1 0 315.373 3.028 20 5 DGBDRO CC(C)(CO)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000294841772 434146361 /nfs/dbraw/zinc/14/63/61/434146361.db2.gz RDDWIFXFICNQEY-UHFFFAOYSA-N 1 0 318.373 3.353 20 5 DGBDRO COc1cc(C[NH+]2CCC(C)(C)CC2)c([N+](=O)[O-])cc1OC ZINC000353456262 434147867 /nfs/dbraw/zinc/14/78/67/434147867.db2.gz USACFKUSXAAQLY-UHFFFAOYSA-N 1 0 308.378 3.234 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000286085978 434157431 /nfs/dbraw/zinc/15/74/31/434157431.db2.gz KGWDBWIBTIOXPZ-NFAWXSAZSA-N 1 0 319.405 3.399 20 5 DGBDRO COc1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccn1 ZINC000340505129 434168329 /nfs/dbraw/zinc/16/83/29/434168329.db2.gz HMSISADERXGJOM-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO C[C@@H]([N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)O ZINC000295075274 434181595 /nfs/dbraw/zinc/18/15/95/434181595.db2.gz CYIGDEKUNITWFC-MRVPVSSYSA-N 1 0 321.204 3.493 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000357814925 434195158 /nfs/dbraw/zinc/19/51/58/434195158.db2.gz UXPLTLICFBVODW-SJORKVTESA-N 1 0 318.417 3.417 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000317287613 434201433 /nfs/dbraw/zinc/20/14/33/434201433.db2.gz QMQZRFFCPMBJFB-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(Cl)c([N+](=O)[O-])c4)[C@H]1[C@H]3C2 ZINC000286258286 434210872 /nfs/dbraw/zinc/21/08/72/434210872.db2.gz AWPUXGNYYPBPQI-PVIIJVKYSA-N 1 0 322.792 3.103 20 5 DGBDRO CCOc1ccc([C@@H](C)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000353579893 434248935 /nfs/dbraw/zinc/24/89/35/434248935.db2.gz VYGJJUZZSMQMAT-ZIAGYGMSSA-N 1 0 323.437 3.373 20 5 DGBDRO C[C@H](CCO)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295192939 434252810 /nfs/dbraw/zinc/25/28/10/434252810.db2.gz XMISXYLLRDAQGQ-ZDUSSCGKSA-N 1 0 318.373 3.353 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000286396969 434257096 /nfs/dbraw/zinc/25/70/96/434257096.db2.gz ZWGYOXNFFUOAJP-FZMZJTMJSA-N 1 0 323.368 3.231 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])cc1F ZINC000364079076 434227121 /nfs/dbraw/zinc/22/71/21/434227121.db2.gz JITRDHNNMFTXLO-LLVKDONJSA-N 1 0 320.320 3.325 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cccc1[N+](=O)[O-] ZINC000326435119 434280913 /nfs/dbraw/zinc/28/09/13/434280913.db2.gz YCXIZDUTSMCLHI-UHFFFAOYSA-N 1 0 322.368 3.379 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cc1ccccc1F ZINC000437776628 434333616 /nfs/dbraw/zinc/33/36/16/434333616.db2.gz QAAVNXJVPKWAAD-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000517128963 294657095 /nfs/dbraw/zinc/65/70/95/294657095.db2.gz CGQVLNWEIOECRM-CQSZACIVSA-N 1 0 319.405 3.482 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000517285105 294667845 /nfs/dbraw/zinc/66/78/45/294667845.db2.gz VDDDYYZJTDFFSQ-FZMZJTMJSA-N 1 0 307.394 3.336 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000382443554 434278594 /nfs/dbraw/zinc/27/85/94/434278594.db2.gz HNWHVBPTRDFLCU-DTWKUNHWSA-N 1 0 303.284 3.295 20 5 DGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000390621931 434362442 /nfs/dbraw/zinc/36/24/42/434362442.db2.gz ORCWRDRYIWSEBI-GFCCVEGCSA-N 1 0 302.378 3.284 20 5 DGBDRO CC(C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000353721457 434367291 /nfs/dbraw/zinc/36/72/91/434367291.db2.gz RKXQNULTZXKYCD-OAHLLOKOSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000295456618 434369539 /nfs/dbraw/zinc/36/95/39/434369539.db2.gz XBCKHMAEKRPPGA-MQYQWHSLSA-N 1 0 319.405 3.033 20 5 DGBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295424519 434356679 /nfs/dbraw/zinc/35/66/79/434356679.db2.gz OCQSCMWWACJLOS-SKDRFNHKSA-N 1 0 300.811 3.132 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358159681 434358288 /nfs/dbraw/zinc/35/82/88/434358288.db2.gz RHYSMLYVKPZWKB-GDBMZVCRSA-N 1 0 319.405 3.035 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450852935 434442967 /nfs/dbraw/zinc/44/29/67/434442967.db2.gz AMFGEYHABLXHMV-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[C@H]1O ZINC000348562492 434401368 /nfs/dbraw/zinc/40/13/68/434401368.db2.gz ZRWJQPPKIXUWTB-JKSUJKDBSA-N 1 0 316.357 3.200 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000450866479 434447895 /nfs/dbraw/zinc/44/78/95/434447895.db2.gz XUXUKFOLHITVPL-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1cc(NCC[NH+]2CCCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359834283 434440017 /nfs/dbraw/zinc/44/00/17/434440017.db2.gz BRLKPLPUTYLEBU-UHFFFAOYSA-N 1 0 317.311 3.430 20 5 DGBDRO CCC1(CC)CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438485696 434487710 /nfs/dbraw/zinc/48/77/10/434487710.db2.gz WGKWYMVSXHMTNX-CYBMUJFWSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000451091937 434558628 /nfs/dbraw/zinc/55/86/28/434558628.db2.gz KVHBBCTYXHTUSM-DZGCQCFKSA-N 1 0 317.433 3.380 20 5 DGBDRO CSc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000348935403 434558843 /nfs/dbraw/zinc/55/88/43/434558843.db2.gz PELPOKOJEHGKET-UHFFFAOYSA-N 1 0 317.414 3.282 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525408842 295014755 /nfs/dbraw/zinc/01/47/55/295014755.db2.gz KWNCRKLZTRUXPC-JKSUJKDBSA-N 1 0 306.406 3.273 20 5 DGBDRO C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543762 434572449 /nfs/dbraw/zinc/57/24/49/434572449.db2.gz CQNMWXIVIFNJGI-HIFRSBDPSA-N 1 0 312.373 3.325 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](c4ccco4)C3)nc2c1 ZINC000360365090 434589630 /nfs/dbraw/zinc/58/96/30/434589630.db2.gz GDWYHAWULFOXSO-NSHDSACASA-N 1 0 313.313 3.319 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]1(C)CCCC[C@H]1C ZINC000459605184 434626231 /nfs/dbraw/zinc/62/62/31/434626231.db2.gz CSRKFYMGKRKUIR-CXAGYDPISA-N 1 0 319.405 3.400 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](OC)C(C)C)cc1[N+](=O)[O-] ZINC000349207375 434636039 /nfs/dbraw/zinc/63/60/39/434636039.db2.gz GWZPZFDZTHKGKO-LRDDRELGSA-N 1 0 310.394 3.315 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C(C)C ZINC000349211509 434638491 /nfs/dbraw/zinc/63/84/91/434638491.db2.gz YEKPBABBTHHGIV-QWHCGFSZSA-N 1 0 312.435 3.072 20 5 DGBDRO C[C@H](NC(=O)CC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452575370 434650232 /nfs/dbraw/zinc/65/02/32/434650232.db2.gz QAEKEFYKUAUBNN-KBPBESRZSA-N 1 0 319.405 3.037 20 5 DGBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000349357153 434690256 /nfs/dbraw/zinc/69/02/56/434690256.db2.gz TUSYMFLYYWKKQB-SVDKCWMDSA-N 1 0 324.446 3.382 20 5 DGBDRO CCc1ccc(-c2nc(C3([NH3+])CCCCC3)no2)cc1[N+](=O)[O-] ZINC000424343552 434704245 /nfs/dbraw/zinc/70/42/45/434704245.db2.gz JXNNNUMZSIDAFZ-UHFFFAOYSA-N 1 0 316.361 3.325 20 5 DGBDRO C[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459778914 434716653 /nfs/dbraw/zinc/71/66/53/434716653.db2.gz TYHBWEXIQNWQEE-GFCCVEGCSA-N 1 0 308.378 3.004 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000360883365 434719697 /nfs/dbraw/zinc/71/96/97/434719697.db2.gz NKRLPHMXXCWRPQ-AWEZNQCLSA-N 1 0 314.389 3.231 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000360888871 434722112 /nfs/dbraw/zinc/72/21/12/434722112.db2.gz JXAOLQSELJRCFZ-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO Cc1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nc1[N+](=O)[O-] ZINC000418970953 434732975 /nfs/dbraw/zinc/73/29/75/434732975.db2.gz JOVLNPBVWVQFDJ-UHFFFAOYSA-N 1 0 314.389 3.134 20 5 DGBDRO CC(C)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411164110 434735165 /nfs/dbraw/zinc/73/51/65/434735165.db2.gz LRXFHVGNNZYKRR-UHFFFAOYSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1ccc(OCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000418999507 434736154 /nfs/dbraw/zinc/73/61/54/434736154.db2.gz UOOVQLKBYINKIC-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO CCC[N@H+](CC(C)C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411199560 434743941 /nfs/dbraw/zinc/74/39/41/434743941.db2.gz GRRITXPTWWHODN-ZDUSSCGKSA-N 1 0 307.394 3.290 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000361026514 434769760 /nfs/dbraw/zinc/76/97/60/434769760.db2.gz BCJKMIVNFQFFPA-HOCLYGCPSA-N 1 0 304.390 3.233 20 5 DGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000419314272 434771143 /nfs/dbraw/zinc/77/11/43/434771143.db2.gz MKRGILRLPOJUAG-CHWSQXEVSA-N 1 0 319.405 3.338 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(OC3CCC3)CC2)cc1 ZINC000419279562 434762690 /nfs/dbraw/zinc/76/26/90/434762690.db2.gz CRMMIDGIKRKESR-UHFFFAOYSA-N 1 0 320.389 3.007 20 5 DGBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000361029785 434771652 /nfs/dbraw/zinc/77/16/52/434771652.db2.gz IXARMVFYIXCWSP-VXGBXAGGSA-N 1 0 304.346 3.104 20 5 DGBDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000419313211 434771844 /nfs/dbraw/zinc/77/18/44/434771844.db2.gz GEVJOXQQQPVINL-CHWSQXEVSA-N 1 0 319.405 3.256 20 5 DGBDRO C[C@H](C1CCC1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411428537 434778192 /nfs/dbraw/zinc/77/81/92/434778192.db2.gz KVUSUCDFJXIDTM-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000419379832 434781208 /nfs/dbraw/zinc/78/12/08/434781208.db2.gz XBBBCJXGCMTITR-IJLUTSLNSA-N 1 0 316.361 3.121 20 5 DGBDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000372095372 434797058 /nfs/dbraw/zinc/79/70/58/434797058.db2.gz NXSJSVNLPAMYCD-ZLIFDBKOSA-N 1 0 304.390 3.451 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H]1OC ZINC000361154171 434815123 /nfs/dbraw/zinc/81/51/23/434815123.db2.gz LWCKTQPACNMSIE-USXIJHARSA-N 1 0 322.405 3.000 20 5 DGBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000412058345 434863311 /nfs/dbraw/zinc/86/33/11/434863311.db2.gz AJYQUZGXXPGHJD-SUMWQHHRSA-N 1 0 320.389 3.239 20 5 DGBDRO CN(C(=O)C[N@@H+]1CCCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000446064132 434845466 /nfs/dbraw/zinc/84/54/66/434845466.db2.gz UMWNXYUPDGHIKZ-UHFFFAOYSA-N 1 0 319.405 3.070 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCCC(C)(C)C1 ZINC000446071352 434846988 /nfs/dbraw/zinc/84/69/88/434846988.db2.gz MNUYVMBNGGEUMY-ZDUSSCGKSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1c(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411956534 434847824 /nfs/dbraw/zinc/84/78/24/434847824.db2.gz WDPXDZBPQKXEGB-SJLPKXTDSA-N 1 0 312.369 3.211 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)ccc1[N+](=O)[O-] ZINC000411967446 434849026 /nfs/dbraw/zinc/84/90/26/434849026.db2.gz IADULKNJSCIWAU-SJCJKPOMSA-N 1 0 322.405 3.287 20 5 DGBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461970012 434896029 /nfs/dbraw/zinc/89/60/29/434896029.db2.gz VKPNMROPGLPVFH-CQSZACIVSA-N 1 0 321.396 3.497 20 5 DGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000463014158 434939310 /nfs/dbraw/zinc/93/93/10/434939310.db2.gz UFXPFFSXFKPSPL-JKSUJKDBSA-N 1 0 306.406 3.319 20 5 DGBDRO COC1(C)CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000463033256 434941309 /nfs/dbraw/zinc/94/13/09/434941309.db2.gz KTBOYBJDQOTHCW-SDNWHVSQSA-N 1 0 304.390 3.499 20 5 DGBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(C)(C)C ZINC000463363536 434954592 /nfs/dbraw/zinc/95/45/92/434954592.db2.gz BEZMOFXJKQCERJ-UHFFFAOYSA-N 1 0 310.394 3.350 20 5 DGBDRO CC(C)c1nnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC000492331961 434962241 /nfs/dbraw/zinc/96/22/41/434962241.db2.gz FQCJTWVYAVGASC-UHFFFAOYSA-N 1 0 324.381 3.041 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+](C)C ZINC000556711382 435020657 /nfs/dbraw/zinc/02/06/57/435020657.db2.gz SAXZMYXGSSKHME-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2CSC)ccc1[N+](=O)[O-] ZINC000492658641 435031622 /nfs/dbraw/zinc/03/16/22/435031622.db2.gz VNAWOKNGXDNWLW-CYBMUJFWSA-N 1 0 310.419 3.321 20 5 DGBDRO COC1([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000574680460 434995731 /nfs/dbraw/zinc/99/57/31/434995731.db2.gz RDOXCVPVYPWNSW-UONOGXRCSA-N 1 0 322.405 3.138 20 5 DGBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000638571126 435053454 /nfs/dbraw/zinc/05/34/54/435053454.db2.gz GESNFCAFDCIVQK-ZWKOTPCHSA-N 1 0 319.408 3.258 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000467432859 435121176 /nfs/dbraw/zinc/12/11/76/435121176.db2.gz FVFAYURZQDVPHJ-ZFWWWQNUSA-N 1 0 306.406 3.434 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000467431759 435121448 /nfs/dbraw/zinc/12/14/48/435121448.db2.gz DKYNZYBDRBZELV-MJBXVCDLSA-N 1 0 319.405 3.338 20 5 DGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468551042 435128048 /nfs/dbraw/zinc/12/80/48/435128048.db2.gz BYWJCCMXWNALHL-IIAWOOMASA-N 1 0 308.422 3.303 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCCn1ccnc1)CCC2 ZINC000559984719 435144586 /nfs/dbraw/zinc/14/45/86/435144586.db2.gz OTMCUQJDEWXFRH-QGZVFWFLSA-N 1 0 314.389 3.239 20 5 DGBDRO CO[C@@]1(C)CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000475278323 435188411 /nfs/dbraw/zinc/18/84/11/435188411.db2.gz IOCDLDFPKAMOGW-QXSWTLKVSA-N 1 0 304.390 3.499 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000475358633 435192510 /nfs/dbraw/zinc/19/25/10/435192510.db2.gz QIXKRYLJWNJMDX-IFCKCIONSA-N 1 0 304.390 3.235 20 5 DGBDRO CCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)C ZINC000532927672 435200669 /nfs/dbraw/zinc/20/06/69/435200669.db2.gz MREVRLOTMFPNGV-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000532968032 435202461 /nfs/dbraw/zinc/20/24/61/435202461.db2.gz OUNIBGHGEJCHGG-HIFRSBDPSA-N 1 0 319.405 3.434 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1Cc3ccccc3C1)CCO2 ZINC000579656509 435170755 /nfs/dbraw/zinc/17/07/55/435170755.db2.gz ROGBWJDNMXAXQK-UHFFFAOYSA-N 1 0 324.380 3.204 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1(C)C ZINC000561655471 435227702 /nfs/dbraw/zinc/22/77/02/435227702.db2.gz DMAPSRFYFCRCNZ-WRRITZQNSA-N 1 0 304.390 3.257 20 5 DGBDRO COC(=O)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000533527333 435243940 /nfs/dbraw/zinc/24/39/40/435243940.db2.gz PMYBDXBKFFQYEI-UHFFFAOYSA-N 1 0 320.389 3.259 20 5 DGBDRO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000567459438 435320221 /nfs/dbraw/zinc/32/02/21/435320221.db2.gz VVBPHWSSCOFLKM-AVGNSLFASA-N 1 0 319.405 3.336 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)C[NH+]1CCCCCC1 ZINC000479605035 435342513 /nfs/dbraw/zinc/34/25/13/435342513.db2.gz VVISFUPDSWPUCP-HNNXBMFYSA-N 1 0 305.422 3.257 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000536163209 435372437 /nfs/dbraw/zinc/37/24/37/435372437.db2.gz KZXUVRIZBJYUBB-QLFBSQMISA-N 1 0 306.406 3.321 20 5 DGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC(C)(C)C1 ZINC000514943490 435450538 /nfs/dbraw/zinc/45/05/38/435450538.db2.gz DYMAGNASPASIRH-HNNXBMFYSA-N 1 0 322.405 3.253 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000537649313 435461304 /nfs/dbraw/zinc/46/13/04/435461304.db2.gz ZMBCHOLKFWMAPM-LLVKDONJSA-N 1 0 312.316 3.428 20 5 DGBDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537967002 435477307 /nfs/dbraw/zinc/47/73/07/435477307.db2.gz PGISHYIRMWBVHA-FZKQIMNGSA-N 1 0 312.369 3.497 20 5 DGBDRO CC[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])OC ZINC000568334093 435424973 /nfs/dbraw/zinc/42/49/73/435424973.db2.gz TUODDXKSVPRCPU-IMJJTQAJSA-N 1 0 306.406 3.321 20 5 DGBDRO C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023782 435511610 /nfs/dbraw/zinc/51/16/10/435511610.db2.gz AHCRXIFDEIKCGJ-KBXCAEBGSA-N 1 0 317.433 3.294 20 5 DGBDRO CCCC[C@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000569276414 435518239 /nfs/dbraw/zinc/51/82/39/435518239.db2.gz GMXUGBAWCMLPDN-ZDUSSCGKSA-N 1 0 307.394 3.352 20 5 DGBDRO CC(C)[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCC1 ZINC000569472905 435536704 /nfs/dbraw/zinc/53/67/04/435536704.db2.gz SRRVVYFNYIXIDC-FUHWJXTLSA-N 1 0 317.433 3.292 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000516774553 435551426 /nfs/dbraw/zinc/55/14/26/435551426.db2.gz VPGBGIGXWSXWKE-YOEHRIQHSA-N 1 0 304.390 3.110 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)C1CCCCC1 ZINC000539086729 435538357 /nfs/dbraw/zinc/53/83/57/435538357.db2.gz KIDDOEWAJMVRFO-DYVFJYSZSA-N 1 0 306.406 3.495 20 5 DGBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803749 435616007 /nfs/dbraw/zinc/61/60/07/435616007.db2.gz SVSPMJSNJRJUBJ-HIFRSBDPSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC1CCC([N@H+](CCO)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000488176053 435636976 /nfs/dbraw/zinc/63/69/76/435636976.db2.gz BQWPFFFQAMTFQW-UHFFFAOYSA-N 1 0 306.406 3.358 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1COC ZINC000570561166 435629792 /nfs/dbraw/zinc/62/97/92/435629792.db2.gz YBWXEXBTIWQTJL-CYBMUJFWSA-N 1 0 309.410 3.274 20 5 DGBDRO CC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000540184884 435593034 /nfs/dbraw/zinc/59/30/34/435593034.db2.gz XVZVEQUBYRWOQF-WBVHZDCISA-N 1 0 306.406 3.322 20 5 DGBDRO Cc1[nH+]c2c(n1CCOc1ccccc1[N+](=O)[O-])CCCC2 ZINC000519067467 435667711 /nfs/dbraw/zinc/66/77/11/435667711.db2.gz IADXYTCQWQESOO-UHFFFAOYSA-N 1 0 301.346 3.058 20 5 DGBDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000548488368 435698912 /nfs/dbraw/zinc/69/89/12/435698912.db2.gz SGBLRLQCAFIGBR-SWLSCSKDSA-N 1 0 319.405 3.142 20 5 DGBDRO Cc1cc(NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2[nH+]1 ZINC000520269561 435734516 /nfs/dbraw/zinc/73/45/16/435734516.db2.gz AKANPRYBGXBBLI-UHFFFAOYSA-N 1 0 323.352 3.364 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H](C)OC ZINC000519861112 435715541 /nfs/dbraw/zinc/71/55/41/435715541.db2.gz UZLGQWYDJLRIHN-FRRDWIJNSA-N 1 0 312.435 3.479 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOCC1CCCC1 ZINC000572303114 435806609 /nfs/dbraw/zinc/80/66/09/435806609.db2.gz ZEBGYLMDXZOZAF-MRXNPFEDSA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[NH+](C)C ZINC000491543669 435769515 /nfs/dbraw/zinc/76/95/15/435769515.db2.gz HACAFDZFTZQTCF-CYBMUJFWSA-N 1 0 317.389 3.142 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(OCC)CCCC1 ZINC000549882712 435781981 /nfs/dbraw/zinc/78/19/81/435781981.db2.gz VFYGKRWIERWERY-UHFFFAOYSA-N 1 0 322.405 3.432 20 5 DGBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000552132075 435882766 /nfs/dbraw/zinc/88/27/66/435882766.db2.gz HWCFXQGUWQKQEV-OAHLLOKOSA-N 1 0 305.422 3.244 20 5 DGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173365726 312756050 /nfs/dbraw/zinc/75/60/50/312756050.db2.gz FOCFCTFNLUMHKG-NSHDSACASA-N 1 0 317.320 3.023 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000377086710 313014646 /nfs/dbraw/zinc/01/46/46/313014646.db2.gz OUSYNRAZYKQPRB-KBPBESRZSA-N 1 0 317.389 3.226 20 5 DGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C(C)(C)C)cc1 ZINC000530665518 313393883 /nfs/dbraw/zinc/39/38/83/313393883.db2.gz QBEABLLRLNZSLJ-UHFFFAOYSA-N 1 0 316.405 3.221 20 5 DGBDRO CCOc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000530669635 313394445 /nfs/dbraw/zinc/39/44/45/313394445.db2.gz PEGLQTKWNIJDQJ-UHFFFAOYSA-N 1 0 321.421 3.304 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000532196545 313526543 /nfs/dbraw/zinc/52/65/43/313526543.db2.gz YKFCIUQUWUFIAJ-MLGOLLRUSA-N 1 0 314.389 3.365 20 5 DGBDRO Cc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000534419378 313668635 /nfs/dbraw/zinc/66/86/35/313668635.db2.gz RODRDSKUVCEBJN-HNNXBMFYSA-N 1 0 303.406 3.071 20 5 DGBDRO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539075656 313898573 /nfs/dbraw/zinc/89/85/73/313898573.db2.gz DBXNCWDJPFUIBZ-CQSZACIVSA-N 1 0 321.421 3.202 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000548634469 314461360 /nfs/dbraw/zinc/46/13/60/314461360.db2.gz YFRJVLFLRLVCRB-GFCCVEGCSA-N 1 0 310.419 3.095 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000554139476 314668137 /nfs/dbraw/zinc/66/81/37/314668137.db2.gz HCDIXBJEPYRWOT-OWCLPIDISA-N 1 0 320.433 3.304 20 5 DGBDRO Cc1nc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cs1 ZINC000563417983 315113043 /nfs/dbraw/zinc/11/30/43/315113043.db2.gz NOYHTVZYDPHVRB-CQSZACIVSA-N 1 0 303.387 3.179 20 5 DGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000563671422 315130877 /nfs/dbraw/zinc/13/08/77/315130877.db2.gz WYCBITNQYURLMO-KBPBESRZSA-N 1 0 321.421 3.106 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CC[N@H+](C)C1CC1 ZINC000567148379 315399907 /nfs/dbraw/zinc/39/99/07/315399907.db2.gz OIYXQTLGMMNCEH-KAMYIIQDSA-N 1 0 303.406 3.024 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CO1 ZINC000569724330 315600061 /nfs/dbraw/zinc/60/00/61/315600061.db2.gz XRXYIOMTFCFNBV-YPMHNXCESA-N 1 0 302.330 3.122 20 5 DGBDRO COCCC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000570058940 315622024 /nfs/dbraw/zinc/62/20/24/315622024.db2.gz CPQYPVAFVZUBKJ-OAHLLOKOSA-N 1 0 304.390 3.379 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000571239200 315706677 /nfs/dbraw/zinc/70/66/77/315706677.db2.gz BTKUWIDKKXWEFT-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000572804900 315818662 /nfs/dbraw/zinc/81/86/62/315818662.db2.gz LOWOBHKDQHNQDF-GOEBONIOSA-N 1 0 302.330 3.122 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](C3CC3)C3CCCC3)nc2c1 ZINC000574896383 316013107 /nfs/dbraw/zinc/01/31/07/316013107.db2.gz QOWMEBUMMCJXRP-UHFFFAOYSA-N 1 0 300.362 3.378 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cncnc2C)cc1[N+](=O)[O-] ZINC000575881450 316072456 /nfs/dbraw/zinc/07/24/56/316072456.db2.gz RESUCUAWWHPAGY-WCQYABFASA-N 1 0 300.362 3.413 20 5 DGBDRO CC(C)(C)[NH+]1CCC(N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000575934481 316077670 /nfs/dbraw/zinc/07/76/70/316077670.db2.gz OVSSFGCOVONJTP-INIZCTEOSA-N 1 0 317.433 3.435 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)CC1CCCC1 ZINC000576886061 316179173 /nfs/dbraw/zinc/17/91/73/316179173.db2.gz HFEBOMMQDNUQHA-CZUORRHYSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC3CCCCC3)CC2)cn1 ZINC000577572395 316248697 /nfs/dbraw/zinc/24/86/97/316248697.db2.gz DJGWLQKGMVKYGI-UHFFFAOYSA-N 1 0 318.421 3.082 20 5 DGBDRO Cc1ccc(C[N@H+](CCO)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000180846317 323240004 /nfs/dbraw/zinc/24/00/04/323240004.db2.gz SQHHHSFVXRBMQR-UHFFFAOYSA-N 1 0 314.385 3.206 20 5 DGBDRO C[C@H](NCC1(C[NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000183952647 323352133 /nfs/dbraw/zinc/35/21/33/323352133.db2.gz TWUYJLOERRGPLQ-AWEZNQCLSA-N 1 0 305.422 3.367 20 5 DGBDRO CCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185858586 323396733 /nfs/dbraw/zinc/39/67/33/323396733.db2.gz LQEBGMUMULEJTN-CYBMUJFWSA-N 1 0 305.378 3.188 20 5 DGBDRO CO[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000384337476 323627935 /nfs/dbraw/zinc/62/79/35/323627935.db2.gz WKBGBEOFRYAFTQ-QGZVFWFLSA-N 1 0 300.358 3.246 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000578882339 323796107 /nfs/dbraw/zinc/79/61/07/323796107.db2.gz KBCPVTANVXXOFY-WMLDXEAASA-N 1 0 318.417 3.361 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580569879 324013989 /nfs/dbraw/zinc/01/39/89/324013989.db2.gz ILNHPVXAFCURRB-XJKSGUPXSA-N 1 0 305.422 3.292 20 5 DGBDRO CC[C@H](C[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-])OC ZINC000580921207 324053088 /nfs/dbraw/zinc/05/30/88/324053088.db2.gz VXICJEIWZVNGAR-QWHCGFSZSA-N 1 0 312.435 3.480 20 5 DGBDRO CCn1nc(C)c(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1C ZINC000580963446 324059234 /nfs/dbraw/zinc/05/92/34/324059234.db2.gz RMHUQGIFYDKFHV-INIZCTEOSA-N 1 0 314.389 3.205 20 5 DGBDRO CSC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000292557968 533736949 /nfs/dbraw/zinc/73/69/49/533736949.db2.gz ZBUNWHOWLAGVFS-LLVKDONJSA-N 1 0 321.402 3.311 20 5 DGBDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330812047 533752336 /nfs/dbraw/zinc/75/23/36/533752336.db2.gz AZHHIKYZQXLIKX-FZMZJTMJSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1[N+](=O)[O-] ZINC000428389842 533930840 /nfs/dbraw/zinc/93/08/40/533930840.db2.gz AEZLJSZMRODXPC-INIZCTEOSA-N 1 0 304.390 3.294 20 5 DGBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000413244935 534031445 /nfs/dbraw/zinc/03/14/45/534031445.db2.gz NQNHMYDMROGJNZ-NWDGAFQWSA-N 1 0 322.384 3.194 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2ncccc12)C[NH+]1CCCC1 ZINC000320718965 534092062 /nfs/dbraw/zinc/09/20/62/534092062.db2.gz LRUOPZHFMFIRCW-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420397895 534347208 /nfs/dbraw/zinc/34/72/08/534347208.db2.gz GANWWNDCUYHFJI-HIFRSBDPSA-N 1 0 311.385 3.354 20 5 DGBDRO CC(C)(C)[NH2+]CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000219431755 518758722 /nfs/dbraw/zinc/75/87/22/518758722.db2.gz HMFMHBPMPQEDKT-UHFFFAOYSA-N 1 0 316.199 3.157 20 5 DGBDRO COC[C@@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000265782842 522473341 /nfs/dbraw/zinc/47/33/41/522473341.db2.gz KVFPDWWCEOVEFB-CQSZACIVSA-N 1 0 323.392 3.415 20 5 DGBDRO CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000163588338 522575512 /nfs/dbraw/zinc/57/55/12/522575512.db2.gz XIHPNVXJGJWLAL-AWEZNQCLSA-N 1 0 308.378 3.367 20 5 DGBDRO CC[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000158269798 522585362 /nfs/dbraw/zinc/58/53/62/522585362.db2.gz SGPDKFZOQXGMPO-YOEHRIQHSA-N 1 0 322.405 3.079 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415091709 534886941 /nfs/dbraw/zinc/88/69/41/534886941.db2.gz ZQEGZPKRYCBUFG-SJORKVTESA-N 1 0 311.385 3.178 20 5 DGBDRO CC(C)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000444208382 527651977 /nfs/dbraw/zinc/65/19/77/527651977.db2.gz ADWQHBVNXBAXSX-UHFFFAOYSA-N 1 0 319.405 3.291 20 5 DGBDRO CC[NH+](CC)CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000315704827 528113690 /nfs/dbraw/zinc/11/36/90/528113690.db2.gz WEGUCWITOJWOAQ-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000315565940 528170415 /nfs/dbraw/zinc/17/04/15/528170415.db2.gz MZOKITGHOFUANE-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CC1CCC([NH+]2CCN(c3sccc3[N+](=O)[O-])CC2)CC1 ZINC000302048401 528194360 /nfs/dbraw/zinc/19/43/60/528194360.db2.gz ZDRGZSCUNLDFQI-UHFFFAOYSA-N 1 0 309.435 3.357 20 5 DGBDRO CCC[NH+]1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413037062 528205658 /nfs/dbraw/zinc/20/56/58/528205658.db2.gz QHIDGNGEKVRHHB-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000444768972 528515241 /nfs/dbraw/zinc/51/52/41/528515241.db2.gz GWKLESGLVWVECI-QGZVFWFLSA-N 1 0 322.405 3.121 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CC)C(C)(C)O)cc1[N+](=O)[O-] ZINC000294909072 528598382 /nfs/dbraw/zinc/59/83/82/528598382.db2.gz GCVLRYYNWJKTIM-IAQYHMDHSA-N 1 0 310.394 3.194 20 5 DGBDRO CCOc1cccc(NC[C@H]2CCCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000302134852 528673530 /nfs/dbraw/zinc/67/35/30/528673530.db2.gz ZMWWPGHUKUFJST-CYBMUJFWSA-N 1 0 307.394 3.280 20 5 DGBDRO CC(C)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000430094017 529117673 /nfs/dbraw/zinc/11/76/73/529117673.db2.gz JTKFFYGNGFMEHT-AFCDSYGPSA-N 1 0 318.417 3.385 20 5 DGBDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000294697247 529141907 /nfs/dbraw/zinc/14/19/07/529141907.db2.gz AOEUGQMXCCBYEB-ZDUSSCGKSA-N 1 0 312.797 3.231 20 5 DGBDRO CC[C@@H]([NH2+]CC1(COC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000293780447 529157569 /nfs/dbraw/zinc/15/75/69/529157569.db2.gz TWSMBYOQWLMVSH-MRXNPFEDSA-N 1 0 322.405 3.079 20 5 DGBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC1(C)C ZINC000419316762 529190470 /nfs/dbraw/zinc/19/04/70/529190470.db2.gz QTKJEJBQZFRUBS-NWDGAFQWSA-N 1 0 302.378 3.385 20 5 DGBDRO CC[C@H](C)[C@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302196627 529263756 /nfs/dbraw/zinc/26/37/56/529263756.db2.gz STGVHLVLNCOCGW-MGPLVRAMSA-N 1 0 303.362 3.270 20 5 DGBDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449162687 534938451 /nfs/dbraw/zinc/93/84/51/534938451.db2.gz SSLMQHOMNKWFIQ-WMLDXEAASA-N 1 0 308.422 3.303 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000451471580 535073357 /nfs/dbraw/zinc/07/33/57/535073357.db2.gz PRZAXLBSYJBSNL-CUOATXAZSA-N 1 0 310.781 3.151 20 5 DGBDRO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000470174692 535765311 /nfs/dbraw/zinc/76/53/11/535765311.db2.gz MRXWRHQUXQVIFQ-IDKBZEPQSA-N 1 0 304.390 3.499 20 5 DGBDRO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000470174695 535765650 /nfs/dbraw/zinc/76/56/50/535765650.db2.gz MRXWRHQUXQVIFQ-SHRNQRGKSA-N 1 0 304.390 3.499 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)O ZINC000449544431 535915527 /nfs/dbraw/zinc/91/55/27/535915527.db2.gz QJRPIWRGUDPELB-NHYWBVRUSA-N 1 0 304.346 3.104 20 5 DGBDRO CO[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449497923 536678223 /nfs/dbraw/zinc/67/82/23/536678223.db2.gz KSJKYYZSRNAVJJ-XKHVPYPXSA-N 1 0 304.390 3.355 20 5 DGBDRO COCC1=CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470212277 536831899 /nfs/dbraw/zinc/83/18/99/536831899.db2.gz SHXNOBRPJAEXLC-UVTDQMKNSA-N 1 0 302.374 3.277 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000449329902 536882559 /nfs/dbraw/zinc/88/25/59/536882559.db2.gz JXGAOPKJNABQDK-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO CC(C)[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000728897238 575192578 /nfs/dbraw/zinc/19/25/78/575192578.db2.gz MJSPFDNQLCCVCC-UHFFFAOYSA-N 1 0 300.362 3.289 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000741260577 574534337 /nfs/dbraw/zinc/53/43/37/574534337.db2.gz HSCJUSLHBOCGAZ-MRXNPFEDSA-N 1 0 318.373 3.443 20 5 DGBDRO C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)C[NH+]1CCCC1 ZINC000731206484 574545341 /nfs/dbraw/zinc/54/53/41/574545341.db2.gz JAOQLMFGSNROHZ-NSHDSACASA-N 1 0 320.418 3.348 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728900282 575192866 /nfs/dbraw/zinc/19/28/66/575192866.db2.gz ITZUVYCBGKPTKU-OAHLLOKOSA-N 1 0 300.362 3.290 20 5 DGBDRO Cc1c(COC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000741016967 574948933 /nfs/dbraw/zinc/94/89/33/574948933.db2.gz KTMNTUCJTDJXFH-OBJOEFQTSA-N 1 0 320.389 3.208 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000742155433 574982714 /nfs/dbraw/zinc/98/27/14/574982714.db2.gz RMVKDBUAEXEADD-CHWSQXEVSA-N 1 0 302.378 3.413 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000743264207 575041193 /nfs/dbraw/zinc/04/11/93/575041193.db2.gz SRMQQOUZVCXUII-INIZCTEOSA-N 1 0 320.776 3.114 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000749661726 575671365 /nfs/dbraw/zinc/67/13/65/575671365.db2.gz IWYNLNISYCVNIV-GDBMZVCRSA-N 1 0 318.398 3.431 20 5 DGBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000749685315 575671726 /nfs/dbraw/zinc/67/17/26/575671726.db2.gz FGLSLNXESQJLFK-YVEFUNNKSA-N 1 0 318.348 3.161 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000749688278 575672346 /nfs/dbraw/zinc/67/23/46/575672346.db2.gz KQCNBFQJJICZSP-DLBZAZTESA-N 1 0 316.332 3.044 20 5 DGBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000749839836 575682534 /nfs/dbraw/zinc/68/25/34/575682534.db2.gz IIYWXKNFSZFCRI-BDJLRTHQSA-N 1 0 312.373 3.421 20 5 DGBDRO CCC(CC)[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CC1 ZINC000749939901 575690841 /nfs/dbraw/zinc/69/08/41/575690841.db2.gz VPTCJTADXWBKDK-UHFFFAOYSA-N 1 0 317.393 3.258 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(CCO)CCCCC2)c1 ZINC000751153590 575772305 /nfs/dbraw/zinc/77/23/05/575772305.db2.gz SPSRZUADKPZDCD-UHFFFAOYSA-N 1 0 312.797 3.423 20 5 DGBDRO COCCC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000230863798 575975138 /nfs/dbraw/zinc/97/51/38/575975138.db2.gz IHYIKJCHOSXMPT-UHFFFAOYSA-N 1 0 300.786 3.401 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000727833644 576148345 /nfs/dbraw/zinc/14/83/45/576148345.db2.gz XFZMFTGZIYPTFB-LLVKDONJSA-N 1 0 311.769 3.061 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC000154367565 620665926 /nfs/dbraw/zinc/66/59/26/620665926.db2.gz SSJXFLXQJPBFMG-MRXNPFEDSA-N 1 0 304.390 3.284 20 5 DGBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000853121977 620671343 /nfs/dbraw/zinc/67/13/43/620671343.db2.gz JRLUMBRDQRNBPT-CXAGYDPISA-N 1 0 306.406 3.434 20 5 DGBDRO CCCC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CC1 ZINC000853489174 620700917 /nfs/dbraw/zinc/70/09/17/620700917.db2.gz IFKOYQZTAGRSMA-UHFFFAOYSA-N 1 0 315.377 3.075 20 5 DGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853606681 620716040 /nfs/dbraw/zinc/71/60/40/620716040.db2.gz VHSXNGMRHRSARU-QXMXGUDHSA-N 1 0 300.362 3.165 20 5 DGBDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000926302075 617932323 /nfs/dbraw/zinc/93/23/23/617932323.db2.gz IGEDHIONNNAWOT-ZWNOBZJWSA-N 1 0 318.295 3.128 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000853746273 620732613 /nfs/dbraw/zinc/73/26/13/620732613.db2.gz HOXZGLKDJMYKJP-NSHDSACASA-N 1 0 322.365 3.035 20 5 DGBDRO COc1c(O)ccc(CN(C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000891470603 617810989 /nfs/dbraw/zinc/81/09/89/617810989.db2.gz PDNACAUNOJPBLM-UHFFFAOYSA-N 1 0 320.320 3.080 20 5 DGBDRO COc1c(O)ccc(C[NH+]2CCC3(CCC3)CC2)c1[N+](=O)[O-] ZINC000894421272 618323648 /nfs/dbraw/zinc/32/36/48/618323648.db2.gz CMYMFZSNNBKUAO-UHFFFAOYSA-N 1 0 306.362 3.075 20 5 DGBDRO Cc1noc(C)c1CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892904796 618345525 /nfs/dbraw/zinc/34/55/25/618345525.db2.gz CVPQJSBWZOKAEY-UHFFFAOYSA-N 1 0 309.753 3.185 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C23CCC(CC2)CC3)c1[N+](=O)[O-] ZINC000894735028 618439557 /nfs/dbraw/zinc/43/95/57/618439557.db2.gz DVQRTFNZQZHMDI-UHFFFAOYSA-N 1 0 306.362 3.121 20 5 DGBDRO C[NH+](C)C1(C)CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000894850153 618477424 /nfs/dbraw/zinc/47/74/24/618477424.db2.gz SVJZTRCCDKRGQM-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3c2nccc3Cl)c1 ZINC000925639493 618517504 /nfs/dbraw/zinc/51/75/04/618517504.db2.gz CELFQPRERAILIS-OAHLLOKOSA-N 1 0 317.776 3.463 20 5 DGBDRO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000893329825 618518180 /nfs/dbraw/zinc/51/81/80/618518180.db2.gz SJIKDNUFGFNBFO-UHFFFAOYSA-N 1 0 302.378 3.279 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000112379538 620821313 /nfs/dbraw/zinc/82/13/13/620821313.db2.gz QUAJSDWRORMLGF-IINYFYTJSA-N 1 0 300.786 3.135 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)C(C)C ZINC000840967881 618643284 /nfs/dbraw/zinc/64/32/84/618643284.db2.gz SFAXOBYSXBPWRL-UONOGXRCSA-N 1 0 300.786 3.133 20 5 DGBDRO Cc1n[nH]c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C ZINC000893945911 618681497 /nfs/dbraw/zinc/68/14/97/618681497.db2.gz LWOHECBJFNOZJN-UHFFFAOYSA-N 1 0 300.362 3.099 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnn(C2CCC2)c1 ZINC000924955180 618748752 /nfs/dbraw/zinc/74/87/52/618748752.db2.gz MGLHKMSIEWJVDL-CYBMUJFWSA-N 1 0 314.389 3.410 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCC3)O2)cc1Cl ZINC000895677337 618815042 /nfs/dbraw/zinc/81/50/42/618815042.db2.gz LUPQGOVBFOAFQC-GFCCVEGCSA-N 1 0 310.781 3.440 20 5 DGBDRO CSC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCCC1 ZINC000895812237 618834300 /nfs/dbraw/zinc/83/43/00/618834300.db2.gz MKASNFOGWUYSMJ-UHFFFAOYSA-N 1 0 324.450 3.150 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2C[C@]2(C)Br)cc1[N+](=O)[O-] ZINC000895833828 618839780 /nfs/dbraw/zinc/83/97/80/618839780.db2.gz PUGBRZWCGFDPJE-YPMHNXCESA-N 1 0 313.195 3.166 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846940 618841046 /nfs/dbraw/zinc/84/10/46/618841046.db2.gz SCSOZBHIXAKMMZ-ZFZABWBQSA-N 1 0 302.374 3.109 20 5 DGBDRO CC1([NH+]2CCC2)CCC(Nc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000896256742 618892646 /nfs/dbraw/zinc/89/26/46/618892646.db2.gz YQKZRHKRENFWQU-UHFFFAOYSA-N 1 0 322.384 3.135 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1C[C@@]1(C)Br)c1ccc([N+](=O)[O-])cc1 ZINC000896510411 618919449 /nfs/dbraw/zinc/91/94/49/618919449.db2.gz OQQQDSKWIRHCOQ-IRUJWGPZSA-N 1 0 313.195 3.419 20 5 DGBDRO C[C@H](C[NH2+]Cc1ccc(O)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000897464638 619130668 /nfs/dbraw/zinc/13/06/68/619130668.db2.gz NJSOVSVYDIJATJ-LLVKDONJSA-N 1 0 304.321 3.333 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc1O ZINC000897469601 619131632 /nfs/dbraw/zinc/13/16/32/619131632.db2.gz NCRLFQCTFKRCGM-LBPRGKRZSA-N 1 0 316.357 3.202 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)cc1Cl ZINC000897507710 619140980 /nfs/dbraw/zinc/14/09/80/619140980.db2.gz FREMQIZNJXJDFP-DOMZBBRYSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000897955736 619198650 /nfs/dbraw/zinc/19/86/50/619198650.db2.gz YASPRPJWFPBZAF-JEBQAFNWSA-N 1 0 315.417 3.342 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CC(CCO)C1 ZINC000898011452 619202010 /nfs/dbraw/zinc/20/20/10/619202010.db2.gz VBACTKCDQGIMTA-UHFFFAOYSA-N 1 0 319.188 3.152 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897981384 619203093 /nfs/dbraw/zinc/20/30/93/619203093.db2.gz KZASYFJOHUDKGW-UHFFFAOYSA-N 1 0 323.824 3.355 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H]2CCCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000898049696 619205075 /nfs/dbraw/zinc/20/50/75/619205075.db2.gz JZDAOFUGJZWCMW-ZDUSSCGKSA-N 1 0 308.378 3.041 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898065406 619210774 /nfs/dbraw/zinc/21/07/74/619210774.db2.gz IQOHZXUEVNWLEJ-ZFZABWBQSA-N 1 0 314.385 3.157 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc2)c1 ZINC000902471244 619642671 /nfs/dbraw/zinc/64/26/71/619642671.db2.gz KYKNKMSPXSFBAP-JCHJZTRSSA-N 1 0 323.396 3.167 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000902766658 619673077 /nfs/dbraw/zinc/67/30/77/619673077.db2.gz PDXXISAXMSYQJC-ARFFOQMASA-N 1 0 302.374 3.059 20 5 DGBDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000902775826 619673981 /nfs/dbraw/zinc/67/39/81/619673981.db2.gz CMAXXJCCGRAVRL-ZIAGYGMSSA-N 1 0 308.378 3.041 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)cc1[N+](=O)[O-] ZINC000902874174 619685051 /nfs/dbraw/zinc/68/50/51/619685051.db2.gz DHGSLFMTRFUSRA-JLWDMWFOSA-N 1 0 316.401 3.367 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cc1 ZINC000903056604 619707182 /nfs/dbraw/zinc/70/71/82/619707182.db2.gz WHTJWZQESLPCTJ-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H](C)c2ccncc2)cc([N+](=O)[O-])c1 ZINC000903107592 619718035 /nfs/dbraw/zinc/71/80/35/619718035.db2.gz YOPRGLFHDGZBPD-OLZOCXBDSA-N 1 0 315.373 3.453 20 5 DGBDRO CCC1(O)CCC([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903111937 619719528 /nfs/dbraw/zinc/71/95/28/619719528.db2.gz DTTGYCQWVGEZQB-MKQDKFQKSA-N 1 0 322.405 3.338 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2cnc(C)s2)cc([N+](=O)[O-])c1 ZINC000903125693 619722115 /nfs/dbraw/zinc/72/21/15/619722115.db2.gz NTVSOVIEASEKFF-SNVBAGLBSA-N 1 0 321.402 3.262 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000903127848 619722590 /nfs/dbraw/zinc/72/25/90/619722590.db2.gz MVFBXDORYOCKLD-KNXALSJPSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903112200 619723288 /nfs/dbraw/zinc/72/32/88/619723288.db2.gz FRSNLINMODFBKL-RVSPLBMKSA-N 1 0 322.405 3.458 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)cc([N+](=O)[O-])c1 ZINC000903139678 619724662 /nfs/dbraw/zinc/72/46/62/619724662.db2.gz QRDVHWZQVAWUOS-GXSJLCMTSA-N 1 0 300.305 3.442 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903147735 619728914 /nfs/dbraw/zinc/72/89/14/619728914.db2.gz RZPGGTFUVALNJT-RWMBFGLXSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C)O2)cc([N+](=O)[O-])c1 ZINC000903200451 619735574 /nfs/dbraw/zinc/73/55/74/619735574.db2.gz PLABLHCLRSPIRX-HUBLWGQQSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)cc([N+](=O)[O-])c1 ZINC000903200230 619735593 /nfs/dbraw/zinc/73/55/93/619735593.db2.gz MUAXHXPAHCQJJR-RNCFNFMXSA-N 1 0 300.305 3.299 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903186124 619736511 /nfs/dbraw/zinc/73/65/11/619736511.db2.gz NPPQYLSEEIJRBE-NVGCLXPQSA-N 1 0 322.405 3.458 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)cc([N+](=O)[O-])c1 ZINC000903205267 619738251 /nfs/dbraw/zinc/73/82/51/619738251.db2.gz GSUKBPPRVGAPTD-KOLCDFICSA-N 1 0 300.305 3.299 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903211293 619739189 /nfs/dbraw/zinc/73/91/89/619739189.db2.gz FTKCTIVSAZTRFY-UPZJHPNMSA-N 1 0 304.268 3.205 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC3(CCC3)CO2)cc([N+](=O)[O-])c1 ZINC000903218901 619741092 /nfs/dbraw/zinc/74/10/92/619741092.db2.gz DXZUXUYCRYQNKI-LRDDRELGSA-N 1 0 320.389 3.213 20 5 DGBDRO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903223681 619741656 /nfs/dbraw/zinc/74/16/56/619741656.db2.gz IXXBMNVLDNUTTR-NJBQOQPGSA-N 1 0 315.417 3.403 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000903244741 619743419 /nfs/dbraw/zinc/74/34/19/619743419.db2.gz CJOQWUWYCUNHKQ-YRGRVCCFSA-N 1 0 300.362 3.190 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCOC12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000903245811 619743531 /nfs/dbraw/zinc/74/35/31/619743531.db2.gz JGQIHAXQCDREMG-XJKSGUPXSA-N 1 0 304.390 3.390 20 5 DGBDRO COc1ccnc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000903245207 619743694 /nfs/dbraw/zinc/74/36/94/619743694.db2.gz KDZPEGOYDFSBTG-OLZOCXBDSA-N 1 0 315.373 3.453 20 5 DGBDRO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246412 619747832 /nfs/dbraw/zinc/74/78/32/619747832.db2.gz UZHMOGFBNQUFIW-GDBMZVCRSA-N 1 0 316.405 3.209 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000903247071 619747860 /nfs/dbraw/zinc/74/78/60/619747860.db2.gz YIKDHRAGUVGRFU-DOMZBBRYSA-N 1 0 302.378 3.173 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C2CC3(C2)CO[C@@H](C)C3)cc([N+](=O)[O-])c1 ZINC000903278899 619751264 /nfs/dbraw/zinc/75/12/64/619751264.db2.gz IEHOQXWMDBLZIE-WICZALJNSA-N 1 0 320.389 3.212 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000903279738 619751737 /nfs/dbraw/zinc/75/17/37/619751737.db2.gz PDTHIJMVMKCRTA-OFXXHTLJSA-N 1 0 322.380 3.212 20 5 DGBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000903287930 619754469 /nfs/dbraw/zinc/75/44/69/619754469.db2.gz TYRCKWJZDMTXNA-AQFIFQLPSA-N 1 0 304.390 3.449 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000903286642 619754478 /nfs/dbraw/zinc/75/44/78/619754478.db2.gz DYVHQORPQPBMCO-CQJJVWNLSA-N 1 0 320.389 3.223 20 5 DGBDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903311954 619757790 /nfs/dbraw/zinc/75/77/90/619757790.db2.gz XCHJTCDJKKGQAO-PXAZEXFGSA-N 1 0 318.348 3.292 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000903393279 619767131 /nfs/dbraw/zinc/76/71/31/619767131.db2.gz JWIQQEGYECDWIR-JKSUJKDBSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@@H](NCc1ccc(CCO)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000903402871 619773669 /nfs/dbraw/zinc/77/36/69/619773669.db2.gz HGOMVRRUSZAINY-GFCCVEGCSA-N 1 0 318.348 3.120 20 5 DGBDRO CC1(C)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH3+] ZINC000903984753 619851987 /nfs/dbraw/zinc/85/19/87/619851987.db2.gz YPUYWHXKOYSEOF-MRXNPFEDSA-N 1 0 315.373 3.024 20 5 DGBDRO O=C(CC[NH2+]CC1CCC=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000905622596 620011480 /nfs/dbraw/zinc/01/14/80/620011480.db2.gz DBKXBGPWUCFPMI-UHFFFAOYSA-N 1 0 317.389 3.259 20 5 DGBDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000905738618 620024339 /nfs/dbraw/zinc/02/43/39/620024339.db2.gz DYVANZVYJCKSAA-BBRMVZONSA-N 1 0 300.362 3.017 20 5 DGBDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000905740601 620025139 /nfs/dbraw/zinc/02/51/39/620025139.db2.gz LAMQMCPHEFCORL-ZFWWWQNUSA-N 1 0 300.362 3.017 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1 ZINC000905852818 620037886 /nfs/dbraw/zinc/03/78/86/620037886.db2.gz NHQQTMLEOAECAZ-CHWSQXEVSA-N 1 0 319.405 3.083 20 5 DGBDRO CC[C@H]([NH2+]Cc1c2c(nn1C)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000921817682 620954997 /nfs/dbraw/zinc/95/49/97/620954997.db2.gz MFGGPIHLKWODRL-HNNXBMFYSA-N 1 0 314.389 3.058 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000922315802 621022745 /nfs/dbraw/zinc/02/27/45/621022745.db2.gz GRATXSXTWOTIIP-HRCADAONSA-N 1 0 304.390 3.198 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922460788 621040848 /nfs/dbraw/zinc/04/08/48/621040848.db2.gz JTMIKRFTTOISBD-DGCLKSJQSA-N 1 0 318.295 3.103 20 5 DGBDRO CN1CC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000922575930 621059882 /nfs/dbraw/zinc/05/98/82/621059882.db2.gz PIZIISTZIVPQID-CQSZACIVSA-N 1 0 317.414 3.117 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC000922695787 621083238 /nfs/dbraw/zinc/08/32/38/621083238.db2.gz NVAAAFDZGGGBNA-OLZOCXBDSA-N 1 0 318.295 3.184 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000922695221 621085902 /nfs/dbraw/zinc/08/59/02/621085902.db2.gz MRMYNQYNWGRXEC-WCQYABFASA-N 1 0 318.295 3.184 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922720310 621090168 /nfs/dbraw/zinc/09/01/68/621090168.db2.gz TUVYYYJVCPZHNT-IBFMQUNRSA-N 1 0 314.385 3.179 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922728075 621091990 /nfs/dbraw/zinc/09/19/90/621091990.db2.gz KLPWIAJIXYQMDJ-CMPLNLGQSA-N 1 0 302.296 3.500 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[NH+](CC3CC3)CC3CC3)c2c1 ZINC000115514448 621117074 /nfs/dbraw/zinc/11/70/74/621117074.db2.gz DTCJWNRMFCLQQO-UHFFFAOYSA-N 1 0 300.362 3.024 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CCOC2CCOCC2)cc1[N+](=O)[O-] ZINC000922931153 621132512 /nfs/dbraw/zinc/13/25/12/621132512.db2.gz OHAGCZMXKQWRPL-UHFFFAOYSA-N 1 0 322.405 3.003 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858780511 621220984 /nfs/dbraw/zinc/22/09/84/621220984.db2.gz CNJWUTDTFBSGRH-OAHLLOKOSA-N 1 0 317.389 3.226 20 5 DGBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000788114729 621275729 /nfs/dbraw/zinc/27/57/29/621275729.db2.gz IEJXKGCYPVWFBM-NWDGAFQWSA-N 1 0 324.764 3.032 20 5 DGBDRO CCOC(=O)CC(C)(C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000838792144 621281611 /nfs/dbraw/zinc/28/16/11/621281611.db2.gz CELSVRPSNUMZKP-UHFFFAOYSA-N 1 0 308.378 3.006 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)cc1 ZINC000859585308 621295212 /nfs/dbraw/zinc/29/52/12/621295212.db2.gz NCSBCGGYFWNEDF-GOSISDBHSA-N 1 0 312.369 3.078 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH+](C2CC2)C2CC2)ccc1Br ZINC000859628300 621301255 /nfs/dbraw/zinc/30/12/55/621301255.db2.gz SLUQIVAIQXPSDP-UHFFFAOYSA-N 1 0 311.179 3.484 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccnc(N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000754166842 621493314 /nfs/dbraw/zinc/49/33/14/621493314.db2.gz OGEWYQOESBVQQC-INIZCTEOSA-N 1 0 314.389 3.297 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000755921598 621603445 /nfs/dbraw/zinc/60/34/45/621603445.db2.gz SHHNAQFIDLDSIM-OAHLLOKOSA-N 1 0 303.406 3.071 20 5 DGBDRO CC1(C)CCC[C@@H]1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863560397 621683503 /nfs/dbraw/zinc/68/35/03/621683503.db2.gz HKTYOUBDJWNGPI-GDBMZVCRSA-N 1 0 306.406 3.434 20 5 DGBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839627602 621702010 /nfs/dbraw/zinc/70/20/10/621702010.db2.gz AUDBUHBLIZVFEV-WBVHZDCISA-N 1 0 316.332 3.136 20 5 DGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839658697 621704862 /nfs/dbraw/zinc/70/48/62/621704862.db2.gz RDLMPYCALSNHCC-LLVKDONJSA-N 1 0 323.368 3.183 20 5 DGBDRO C[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000759000722 621817476 /nfs/dbraw/zinc/81/74/76/621817476.db2.gz ROXZEEDBQJWGFA-LBPRGKRZSA-N 1 0 302.378 3.270 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)c(C(F)F)c1 ZINC000865453838 621925415 /nfs/dbraw/zinc/92/54/15/621925415.db2.gz QEMJAOFIASVPLC-UHFFFAOYSA-N 1 0 311.332 3.064 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c(C(F)F)c1 ZINC000865502684 621937460 /nfs/dbraw/zinc/93/74/60/621937460.db2.gz NKKMWUDBXLNAKR-GFCCVEGCSA-N 1 0 311.332 3.207 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000865760700 621990130 /nfs/dbraw/zinc/99/01/30/621990130.db2.gz FUOWGYOCNJJQTG-RDJZCZTQSA-N 1 0 304.390 3.198 20 5 DGBDRO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000865807286 621999239 /nfs/dbraw/zinc/99/92/39/621999239.db2.gz YNQDIEWNFJIAHV-QGZVFWFLSA-N 1 0 315.348 3.010 20 5 DGBDRO Cc1nn(C[NH+]2CCC(C)(C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761290118 621999399 /nfs/dbraw/zinc/99/93/99/621999399.db2.gz MJDBJRAYKFYSSM-UHFFFAOYSA-N 1 0 302.378 3.332 20 5 DGBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3C(F)F)C2)C1 ZINC000865827241 622002292 /nfs/dbraw/zinc/00/22/92/622002292.db2.gz FXGOULAGYBFTNG-HNNXBMFYSA-N 1 0 311.332 3.064 20 5 DGBDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000865872309 622012674 /nfs/dbraw/zinc/01/26/74/622012674.db2.gz KLQQAMVYXSRWOD-TZMCWYRMSA-N 1 0 318.373 3.494 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1(CCO)CCCCC1 ZINC000761898384 622038009 /nfs/dbraw/zinc/03/80/09/622038009.db2.gz NGKXWZZXSZDDEM-UHFFFAOYSA-N 1 0 312.797 3.423 20 5 DGBDRO C[NH+]1CCC2(CCN(c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000866054758 622038636 /nfs/dbraw/zinc/03/86/36/622038636.db2.gz ISIAXKJWKVERNB-UHFFFAOYSA-N 1 0 307.369 3.046 20 5 DGBDRO CO[C@@H]1CC[C@H](C)N(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000866073611 622041875 /nfs/dbraw/zinc/04/18/75/622041875.db2.gz QPORGWSLXRKJQN-WCQYABFASA-N 1 0 301.346 3.147 20 5 DGBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CCC1(C)C ZINC000866110271 622047704 /nfs/dbraw/zinc/04/77/04/622047704.db2.gz UJGHHRHFEUVNQB-UHFFFAOYSA-N 1 0 313.348 3.453 20 5 DGBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)CC[C@@H]21 ZINC000866209816 622066669 /nfs/dbraw/zinc/06/66/69/622066669.db2.gz VVBZOYWYIKJWBY-GWCFXTLKSA-N 1 0 311.332 3.063 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866260740 622078431 /nfs/dbraw/zinc/07/84/31/622078431.db2.gz WQKYRLYBMJSZSC-IAGOWNOFSA-N 1 0 320.389 3.041 20 5 DGBDRO Cc1ccc(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000866263798 622079244 /nfs/dbraw/zinc/07/92/44/622079244.db2.gz HPYOAKVZSGEAII-CYBMUJFWSA-N 1 0 317.364 3.201 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000866277228 622083404 /nfs/dbraw/zinc/08/34/04/622083404.db2.gz KRFSDEWUXJLOMK-MLGOLLRUSA-N 1 0 324.396 3.460 20 5 DGBDRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866281313 622084151 /nfs/dbraw/zinc/08/41/51/622084151.db2.gz GVCAJINZCDZELL-OLZOCXBDSA-N 1 0 317.364 3.281 20 5 DGBDRO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866281317 622084463 /nfs/dbraw/zinc/08/44/63/622084463.db2.gz GVCAJINZCDZELL-STQMWFEESA-N 1 0 317.364 3.281 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCc1nccs1 ZINC000866300977 622088514 /nfs/dbraw/zinc/08/85/14/622088514.db2.gz XQBJJLAAOKTNHO-NSHDSACASA-N 1 0 323.393 3.344 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000866309773 622090704 /nfs/dbraw/zinc/09/07/04/622090704.db2.gz BNSHXFYUSFPTEE-WOPDTQHZSA-N 1 0 310.369 3.211 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000866339785 622097248 /nfs/dbraw/zinc/09/72/48/622097248.db2.gz DVAMVSKKQLWOPN-XQAQDONZSA-N 1 0 322.380 3.212 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOCC1CCC1 ZINC000866340845 622098114 /nfs/dbraw/zinc/09/81/14/622098114.db2.gz TZCBHYXNHMEHRE-LBPRGKRZSA-N 1 0 310.369 3.071 20 5 DGBDRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866367924 622104681 /nfs/dbraw/zinc/10/46/81/622104681.db2.gz RLVMGMBIGDHMOP-VXGBXAGGSA-N 1 0 320.368 3.232 20 5 DGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866373239 622105705 /nfs/dbraw/zinc/10/57/05/622105705.db2.gz MHVXUHVBFHJZKD-QFSBIZTOSA-N 1 0 324.396 3.458 20 5 DGBDRO COC1CCC([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866373050 622105796 /nfs/dbraw/zinc/10/57/96/622105796.db2.gz VBSNEWLWGYSYSB-VCANKDNSSA-N 1 0 310.369 3.212 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCSC2)n1 ZINC000866402480 622112159 /nfs/dbraw/zinc/11/21/59/622112159.db2.gz JYCIYFURVIKPTA-BFHYXJOUSA-N 1 0 324.450 3.008 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)cccc1[N+](=O)[O-] ZINC000866426054 622116278 /nfs/dbraw/zinc/11/62/78/622116278.db2.gz RBOBAQZGTGQYRG-OCCSQVGLSA-N 1 0 322.405 3.343 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000866512022 622129791 /nfs/dbraw/zinc/12/97/91/622129791.db2.gz HHZINDHWSFOGOH-RPVQJOFSSA-N 1 0 316.401 3.377 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000866615016 622147467 /nfs/dbraw/zinc/14/74/67/622147467.db2.gz SBQNPOCHOCTATG-IAQYHMDHSA-N 1 0 300.362 3.057 20 5 DGBDRO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866622926 622149052 /nfs/dbraw/zinc/14/90/52/622149052.db2.gz JSXPAHIXWJCIIK-MLGOLLRUSA-N 1 0 319.405 3.319 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H](O)C1CCCC1 ZINC000866638784 622152227 /nfs/dbraw/zinc/15/22/27/622152227.db2.gz KUZLSKOIEROULD-LRDDRELGSA-N 1 0 322.405 3.195 20 5 DGBDRO CC[C@]1(C)CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765076473 622244338 /nfs/dbraw/zinc/24/43/38/622244338.db2.gz YTTDGYYJTDSFEV-MRXNPFEDSA-N 1 0 302.378 3.332 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000766141922 622309399 /nfs/dbraw/zinc/30/93/99/622309399.db2.gz OFUKOBNYMVNGRL-IUODEOHRSA-N 1 0 304.346 3.189 20 5 DGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000766193653 622311500 /nfs/dbraw/zinc/31/15/00/622311500.db2.gz NLWKSRNLEQBMSG-ZDUSSCGKSA-N 1 0 312.369 3.423 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(C)(O)CC1 ZINC000766479208 622332756 /nfs/dbraw/zinc/33/27/56/622332756.db2.gz MLNYHWPZTLZUIP-KTAKPFMOSA-N 1 0 306.406 3.199 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)CC(C)C)cc1[N+](=O)[O-] ZINC000768097941 622438411 /nfs/dbraw/zinc/43/84/11/622438411.db2.gz HRBRLEHBNHEFFP-GXTWGEPZSA-N 1 0 310.394 3.051 20 5 DGBDRO C[C@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C ZINC000769448435 622528873 /nfs/dbraw/zinc/52/88/73/622528873.db2.gz QJULEDNGKDOBHJ-AOOOYVTPSA-N 1 0 313.195 3.445 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016318 622752407 /nfs/dbraw/zinc/75/24/07/622752407.db2.gz HYYWSZZHBXJAOB-ABAIWWIYSA-N 1 0 304.321 3.118 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC000872028734 622761138 /nfs/dbraw/zinc/76/11/38/622761138.db2.gz SNEVAKBSZZPWRK-WCQYABFASA-N 1 0 309.435 3.062 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCC1CC1 ZINC000872034607 622765533 /nfs/dbraw/zinc/76/55/33/622765533.db2.gz ICZCABMWAIHHFB-NSHDSACASA-N 1 0 310.419 3.394 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1F ZINC000872034755 622765784 /nfs/dbraw/zinc/76/57/84/622765784.db2.gz RBPAGADAOSZORZ-LLVKDONJSA-N 1 0 304.321 3.333 20 5 DGBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036316 622766492 /nfs/dbraw/zinc/76/64/92/622766492.db2.gz RIRZNQDIXHALLT-LRDDRELGSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036318 622767014 /nfs/dbraw/zinc/76/70/14/622767014.db2.gz RIRZNQDIXHALLT-WBMJQRKESA-N 1 0 318.348 3.427 20 5 DGBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000872038616 622767680 /nfs/dbraw/zinc/76/76/80/622767680.db2.gz NJTSFFUXRBNTEA-GOEBONIOSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872039557 622768332 /nfs/dbraw/zinc/76/83/32/622768332.db2.gz GVEQMPOBNIDKAV-PJODQICGSA-N 1 0 310.369 3.326 20 5 DGBDRO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040844 622769212 /nfs/dbraw/zinc/76/92/12/622769212.db2.gz NSVZKKPDDGINDX-OLZOCXBDSA-N 1 0 312.385 3.429 20 5 DGBDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042051 622770500 /nfs/dbraw/zinc/77/05/00/622770500.db2.gz YYBZWGIDDBBFLL-XQQFMLRXSA-N 1 0 309.385 3.257 20 5 DGBDRO C[C@@H]([NH2+]CCCc1nccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872046260 622772267 /nfs/dbraw/zinc/77/22/67/622772267.db2.gz VWJFPAUHPJRHQN-SNVBAGLBSA-N 1 0 309.366 3.474 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000872062800 622784160 /nfs/dbraw/zinc/78/41/60/622784160.db2.gz QEFAKSKTKMQOTH-NWDGAFQWSA-N 1 0 310.419 3.394 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000872063995 622784899 /nfs/dbraw/zinc/78/48/99/622784899.db2.gz UZUXVMCXAXMJQY-FZZIBODNSA-N 1 0 310.419 3.127 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1(O)CCC1 ZINC000872070603 622788456 /nfs/dbraw/zinc/78/84/56/622788456.db2.gz UZHCNECLKOOZOZ-NSHDSACASA-N 1 0 310.419 3.272 20 5 DGBDRO CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872074567 622791037 /nfs/dbraw/zinc/79/10/37/622791037.db2.gz YJKZTEZQLCWRMF-IINYFYTJSA-N 1 0 310.419 3.392 20 5 DGBDRO COCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872084157 622796148 /nfs/dbraw/zinc/79/61/48/622796148.db2.gz PRZGSXZLHVELLD-NSHDSACASA-N 1 0 310.419 3.394 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000872084736 622796269 /nfs/dbraw/zinc/79/62/69/622796269.db2.gz KMSOGZDAALLMFM-HZMBPMFUSA-N 1 0 310.419 3.128 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C1(CO)CC1 ZINC000872086743 622797365 /nfs/dbraw/zinc/79/73/65/622797365.db2.gz YVMNJWSZNDZPIM-WDEREUQCSA-N 1 0 310.419 3.128 20 5 DGBDRO C[C@@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089793 622799951 /nfs/dbraw/zinc/79/99/51/622799951.db2.gz FGSIXEFTDRVYQL-TZMCWYRMSA-N 1 0 321.396 3.401 20 5 DGBDRO COCC(C)(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000872104408 622806207 /nfs/dbraw/zinc/80/62/07/622806207.db2.gz DHTYTIUYUDOPTM-GFCCVEGCSA-N 1 0 310.394 3.317 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000872105108 622807386 /nfs/dbraw/zinc/80/73/86/622807386.db2.gz AQPFDFHBIBHLKI-FZMZJTMJSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000872129573 622824357 /nfs/dbraw/zinc/82/43/57/622824357.db2.gz LOTMMYZQRJHCKE-NRUUGDAUSA-N 1 0 318.295 3.355 20 5 DGBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000772739904 622934697 /nfs/dbraw/zinc/93/46/97/622934697.db2.gz FSBWFTATIYYYGF-INIZCTEOSA-N 1 0 320.776 3.414 20 5 DGBDRO Cc1nc(N2CCC(C)([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000872665788 622950083 /nfs/dbraw/zinc/95/00/83/622950083.db2.gz SVHMGCAGRJPNES-UHFFFAOYSA-N 1 0 318.421 3.143 20 5 DGBDRO Cc1c(C[NH2+]CCCn2cnc3ccccc32)cccc1[N+](=O)[O-] ZINC000873008809 623017292 /nfs/dbraw/zinc/01/72/92/623017292.db2.gz DGJJXPPTDRLQLG-UHFFFAOYSA-N 1 0 324.384 3.433 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccc([C@H](C)O)cc2)cccc1[N+](=O)[O-] ZINC000873021027 623019498 /nfs/dbraw/zinc/01/94/98/623019498.db2.gz HITSQWZQOYJNOW-ZDUSSCGKSA-N 1 0 300.358 3.246 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCc1nccs1 ZINC000873055217 623026791 /nfs/dbraw/zinc/02/67/91/623026791.db2.gz FBNQKMRCXKXKAN-UHFFFAOYSA-N 1 0 305.403 3.391 20 5 DGBDRO Cc1cc([C@](C)(O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)o1 ZINC000873060557 623028179 /nfs/dbraw/zinc/02/81/79/623028179.db2.gz ITJRXBRVUMEJBL-QGZVFWFLSA-N 1 0 318.373 3.110 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000873080317 623032470 /nfs/dbraw/zinc/03/24/70/623032470.db2.gz OESMZNARKAHBQK-AWEZNQCLSA-N 1 0 304.390 3.403 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CN(C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000873098902 623035967 /nfs/dbraw/zinc/03/59/67/623035967.db2.gz WLWPEBSXSNIMCB-QGZVFWFLSA-N 1 0 311.385 3.180 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)cccc1[N+](=O)[O-] ZINC000873112967 623037870 /nfs/dbraw/zinc/03/78/70/623037870.db2.gz LQQJJUILLGIVRI-OAHLLOKOSA-N 1 0 316.405 3.166 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000873127908 623041698 /nfs/dbraw/zinc/04/16/98/623041698.db2.gz WKAQDPKWNIWUPC-UHFFFAOYSA-N 1 0 324.384 3.388 20 5 DGBDRO Cc1c(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000873140489 623048089 /nfs/dbraw/zinc/04/80/89/623048089.db2.gz PJSASUXIHYGRSV-SUMWQHHRSA-N 1 0 300.358 3.115 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000774413753 623140909 /nfs/dbraw/zinc/14/09/09/623140909.db2.gz YLKOABSYUUGQCQ-ROUUACIJSA-N 1 0 312.369 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000774413754 623140927 /nfs/dbraw/zinc/14/09/27/623140927.db2.gz YLKOABSYUUGQCQ-ZWKOTPCHSA-N 1 0 312.369 3.369 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@H]1C ZINC000774637192 623168845 /nfs/dbraw/zinc/16/88/45/623168845.db2.gz MVOLMZUNUFYBLS-ZJUUUORDSA-N 1 0 308.769 3.286 20 5 DGBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000776273997 623405166 /nfs/dbraw/zinc/40/51/66/623405166.db2.gz AXNHDMPYMADUCE-YVEFUNNKSA-N 1 0 318.348 3.161 20 5 DGBDRO C[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275168 623405210 /nfs/dbraw/zinc/40/52/10/623405210.db2.gz JMHVKWAELABVMX-ABAIWWIYSA-N 1 0 318.398 3.309 20 5 DGBDRO C[C@@H](c1cccs1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278587 623405711 /nfs/dbraw/zinc/40/57/11/623405711.db2.gz RJVVBXXCZBVMAI-SMDDNHRTSA-N 1 0 306.387 3.383 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC000776499986 623436130 /nfs/dbraw/zinc/43/61/30/623436130.db2.gz ZXLXBAMRSRXSAK-OWYVNGRQSA-N 1 0 312.797 3.397 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC23CCCCC3)cc1 ZINC000776594122 623445410 /nfs/dbraw/zinc/44/54/10/623445410.db2.gz VWILAPNGSZXLPA-INIZCTEOSA-N 1 0 304.390 3.427 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)[C@@H]1C ZINC000777963388 623591738 /nfs/dbraw/zinc/59/17/38/623591738.db2.gz KSPLVZXZYBQQEW-CHWSQXEVSA-N 1 0 300.362 3.146 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](O)c1cccc(F)c1 ZINC000778096059 623611351 /nfs/dbraw/zinc/61/13/51/623611351.db2.gz JAQKMZZLRCWOIS-QFYYESIMSA-N 1 0 322.311 3.085 20 5 DGBDRO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000778245426 623631561 /nfs/dbraw/zinc/63/15/61/623631561.db2.gz LPEHYJWEUXMUHO-ABAIWWIYSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1cc(C)cc([C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877012349 623765902 /nfs/dbraw/zinc/76/59/02/623765902.db2.gz SREKLQLDXDBKKW-IUDNXUCKSA-N 1 0 314.389 3.462 20 5 DGBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)(C)C ZINC000877041896 623773765 /nfs/dbraw/zinc/77/37/65/623773765.db2.gz KEZIBUMOEKCMJJ-CYBMUJFWSA-N 1 0 320.437 3.230 20 5 DGBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877078743 623785904 /nfs/dbraw/zinc/78/59/04/623785904.db2.gz CAUAQOVPHGLRAO-BBNOBNGHSA-N 1 0 324.450 3.149 20 5 DGBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877078744 623785971 /nfs/dbraw/zinc/78/59/71/623785971.db2.gz CAUAQOVPHGLRAO-CXTZMWEQSA-N 1 0 324.450 3.149 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000779860904 623823521 /nfs/dbraw/zinc/82/35/21/623823521.db2.gz KOTPDGJZISUVOP-MRXNPFEDSA-N 1 0 314.389 3.073 20 5 DGBDRO CCC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCCC1 ZINC000877369980 623859631 /nfs/dbraw/zinc/85/96/31/623859631.db2.gz ZDSIHDVUUMTERY-UHFFFAOYSA-N 1 0 306.410 3.445 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c1 ZINC000877739597 624012445 /nfs/dbraw/zinc/01/24/45/624012445.db2.gz ORAKWRIHMJTAIC-CMPLNLGQSA-N 1 0 312.822 3.433 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877742201 624015233 /nfs/dbraw/zinc/01/52/33/624015233.db2.gz XXOBXNYGFLZFED-PWSUYJOCSA-N 1 0 312.822 3.433 20 5 DGBDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877778033 624033508 /nfs/dbraw/zinc/03/35/08/624033508.db2.gz IMTSYLQZTUKRSF-BXKDBHETSA-N 1 0 320.311 3.253 20 5 DGBDRO C[C@H]1CC[C@@]2(CC[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000781585565 624097678 /nfs/dbraw/zinc/09/76/78/624097678.db2.gz NYZHZHZGGHFRDZ-SUMWQHHRSA-N 1 0 314.389 3.414 20 5 DGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877996465 624130260 /nfs/dbraw/zinc/13/02/60/624130260.db2.gz SXEYFXUHCFLYIA-ZDUSSCGKSA-N 1 0 316.361 3.265 20 5 DGBDRO CCC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000878056459 624151360 /nfs/dbraw/zinc/15/13/60/624151360.db2.gz WKDYSFKTHUYJAU-UHFFFAOYSA-N 1 0 302.334 3.019 20 5 DGBDRO C[C@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000878418257 624273019 /nfs/dbraw/zinc/27/30/19/624273019.db2.gz KESUADPCPSJKPI-NSHDSACASA-N 1 0 316.361 3.313 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3CC4(CCC4)C3)CC2)n1 ZINC000878523266 624297597 /nfs/dbraw/zinc/29/75/97/624297597.db2.gz CBTCZXLBEMYPEL-UHFFFAOYSA-N 1 0 304.394 3.009 20 5 DGBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878718078 624346933 /nfs/dbraw/zinc/34/69/33/624346933.db2.gz OKUSRJQKAFNOSO-GRYCIOLGSA-N 1 0 316.361 3.121 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783607727 624373732 /nfs/dbraw/zinc/37/37/32/624373732.db2.gz UYCZNLVEUHAPGW-ZDUSSCGKSA-N 1 0 311.813 3.070 20 5 DGBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783639974 624378398 /nfs/dbraw/zinc/37/83/98/624378398.db2.gz XBLGEBTYVGPERL-JQWIXIFHSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@H](OC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000783776787 624395400 /nfs/dbraw/zinc/39/54/00/624395400.db2.gz MOQPKQHMYBLNAR-MQYQWHSLSA-N 1 0 320.389 3.460 20 5 DGBDRO C[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000783778798 624395412 /nfs/dbraw/zinc/39/54/12/624395412.db2.gz SCENKCQWTINOSB-IJLUTSLNSA-N 1 0 324.352 3.038 20 5 DGBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000790934579 625717679 /nfs/dbraw/zinc/71/76/79/625717679.db2.gz NBFSWPLNJYQZBP-YPMHNXCESA-N 1 0 312.797 3.374 20 5 DGBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000790934577 625718362 /nfs/dbraw/zinc/71/83/62/625718362.db2.gz NBFSWPLNJYQZBP-DGCLKSJQSA-N 1 0 312.797 3.374 20 5 DGBDRO Cc1nn(C[N@H+](C)C[C@H]2CC=CCC2)c2ccc([N+](=O)[O-])cc12 ZINC000784008766 624419352 /nfs/dbraw/zinc/41/93/52/624419352.db2.gz HYHWKTUXVBDWQE-AWEZNQCLSA-N 1 0 314.389 3.499 20 5 DGBDRO CC(C)c1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000784410133 624522042 /nfs/dbraw/zinc/52/20/42/624522042.db2.gz CLDQFQDXPYOKDE-OAHLLOKOSA-N 1 0 321.421 3.034 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000879417670 624539429 /nfs/dbraw/zinc/53/94/29/624539429.db2.gz FQNCFEMZUVICIL-VYDXJSESSA-N 1 0 304.390 3.029 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879560657 624590235 /nfs/dbraw/zinc/59/02/35/624590235.db2.gz VJAPHKSXGUFCTD-RYUDHWBXSA-N 1 0 312.822 3.433 20 5 DGBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000879564946 624592950 /nfs/dbraw/zinc/59/29/50/624592950.db2.gz JRNACBCJXDYVDZ-ZIAGYGMSSA-N 1 0 322.430 3.178 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879735470 624657325 /nfs/dbraw/zinc/65/73/25/624657325.db2.gz XQXSQCNJFBTOEW-INIZCTEOSA-N 1 0 320.389 3.185 20 5 DGBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000785540507 624682988 /nfs/dbraw/zinc/68/29/88/624682988.db2.gz KSYFSXXRHOCKMB-SUNKGSAMSA-N 1 0 312.797 3.230 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000785616869 624702484 /nfs/dbraw/zinc/70/24/84/624702484.db2.gz WKODIPDEIBSBAD-HNNXBMFYSA-N 1 0 324.739 3.211 20 5 DGBDRO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCOCC1 ZINC000786153894 624811589 /nfs/dbraw/zinc/81/15/89/624811589.db2.gz SFEKSGQISBXIBZ-UHFFFAOYSA-N 1 0 319.361 3.031 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320219 624916329 /nfs/dbraw/zinc/91/63/29/624916329.db2.gz DVWCQEAUDLFLON-GFCCVEGCSA-N 1 0 319.386 3.049 20 5 DGBDRO CO[C@@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000786810867 624955519 /nfs/dbraw/zinc/95/55/19/624955519.db2.gz BLRFOARIOTWQDZ-PPOCWRSBSA-N 1 0 318.295 3.165 20 5 DGBDRO O=C(OCc1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786884923 624961562 /nfs/dbraw/zinc/96/15/62/624961562.db2.gz YGYIQOWZJLBVSO-ZDUSSCGKSA-N 1 0 324.402 3.107 20 5 DGBDRO CC[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000880465458 624962681 /nfs/dbraw/zinc/96/26/81/624962681.db2.gz DZLKPIRPYIFLNR-YOEHRIQHSA-N 1 0 322.405 3.159 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])CC(C)C ZINC000787893333 625070863 /nfs/dbraw/zinc/07/08/63/625070863.db2.gz XUHPLMJWEMQQGC-CQSZACIVSA-N 1 0 308.426 3.345 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000788528948 625206860 /nfs/dbraw/zinc/20/68/60/625206860.db2.gz KMPKNPDHUNKJHZ-UHFFFAOYSA-N 1 0 324.808 3.281 20 5 DGBDRO CCCC(O)(CCC)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788602403 625225553 /nfs/dbraw/zinc/22/55/53/625225553.db2.gz NGSUCXDPZUTFQL-LBPRGKRZSA-N 1 0 309.410 3.159 20 5 DGBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1(C)C ZINC000788751718 625257842 /nfs/dbraw/zinc/25/78/42/625257842.db2.gz SXZFCJVOVLIJPZ-KNXALSJPSA-N 1 0 321.421 3.420 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000026234459 625862680 /nfs/dbraw/zinc/86/26/80/625862680.db2.gz IKEDWALSGCBBSV-INIZCTEOSA-N 1 0 314.389 3.073 20 5 DGBDRO CCOc1cccc(N2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000882963815 625878163 /nfs/dbraw/zinc/87/81/63/625878163.db2.gz KDSLIJCFPROABE-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000796519419 626058413 /nfs/dbraw/zinc/05/84/13/626058413.db2.gz BXKYZNDTRMLGGQ-AWEZNQCLSA-N 1 0 311.813 3.212 20 5 DGBDRO CC[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000797518781 626150867 /nfs/dbraw/zinc/15/08/67/626150867.db2.gz LIPPBLHVFROYLO-UHFFFAOYSA-N 1 0 315.373 3.063 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CCCC2(CC[NH+](C)CC2)C1 ZINC000798405288 626215961 /nfs/dbraw/zinc/21/59/61/626215961.db2.gz DVLVXTOYZHFEEA-UHFFFAOYSA-N 1 0 303.406 3.215 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1Cc2ccccc2C1 ZINC000801512377 626406478 /nfs/dbraw/zinc/40/64/78/626406478.db2.gz UKVJSRGFNIMRQU-UHFFFAOYSA-N 1 0 300.333 3.333 20 5 DGBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCCCC1 ZINC000801524375 626407748 /nfs/dbraw/zinc/40/77/48/626407748.db2.gz RUPUTMRLYIGSIH-UHFFFAOYSA-N 1 0 324.352 3.090 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1(O)CCCCCC1 ZINC000801546417 626409224 /nfs/dbraw/zinc/40/92/24/626409224.db2.gz LLNMULOEKNRKQD-UHFFFAOYSA-N 1 0 310.369 3.251 20 5 DGBDRO Cc1ccc([C@H](O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000801600207 626411829 /nfs/dbraw/zinc/41/18/29/626411829.db2.gz MRBFOFNEKZTNJB-GOSISDBHSA-N 1 0 314.385 3.111 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000801600389 626411886 /nfs/dbraw/zinc/41/18/86/626411886.db2.gz PVSFCDPSMFAIEB-UHFFFAOYSA-N 1 0 315.329 3.178 20 5 DGBDRO CCC(CC)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000802655986 626565480 /nfs/dbraw/zinc/56/54/80/626565480.db2.gz JDWOZJQTEDAQIG-UHFFFAOYSA-N 1 0 300.786 3.279 20 5 DGBDRO C[N@@H+]1CC[C@@H](CSc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000839987588 626588222 /nfs/dbraw/zinc/58/82/22/626588222.db2.gz XKEWGLVJAUCJNG-SECBINFHSA-N 1 0 309.416 3.248 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccns1)C1CC1 ZINC000883248595 626623756 /nfs/dbraw/zinc/62/37/56/626623756.db2.gz YNXZVMLJMHRESN-OAHLLOKOSA-N 1 0 317.414 3.205 20 5 DGBDRO C=C/C=C/CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000883267429 626630596 /nfs/dbraw/zinc/63/05/96/626630596.db2.gz DVKVLECQMWGABI-IHVVCDCBSA-N 1 0 303.362 3.034 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000883274128 626632341 /nfs/dbraw/zinc/63/23/41/626632341.db2.gz ZVYNFIWEQZMTQF-SRCQZFHVSA-N 1 0 304.390 3.377 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883352900 626657284 /nfs/dbraw/zinc/65/72/84/626657284.db2.gz KFDZYWJRFVNDDS-XPKDYRNWSA-N 1 0 324.396 3.460 20 5 DGBDRO CC(C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000804348185 626671985 /nfs/dbraw/zinc/67/19/85/626671985.db2.gz CBSBBTYGDBDWJJ-KRWDZBQOSA-N 1 0 320.437 3.345 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000804348816 626672454 /nfs/dbraw/zinc/67/24/54/626672454.db2.gz GUQXNJFNLUVSDZ-INIZCTEOSA-N 1 0 306.410 3.099 20 5 DGBDRO CCC[NH+]1CCC(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804399386 626676561 /nfs/dbraw/zinc/67/65/61/626676561.db2.gz PJGSAQPVFHSUIH-UHFFFAOYSA-N 1 0 322.365 3.037 20 5 DGBDRO C[NH+](C)[C@]1(CNc2cc(Cl)ccc2[N+](=O)[O-])CCSC1 ZINC000804532765 626690753 /nfs/dbraw/zinc/69/07/53/626690753.db2.gz JODMNLNUPJYBEY-ZDUSSCGKSA-N 1 0 315.826 3.097 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000804557096 626692738 /nfs/dbraw/zinc/69/27/38/626692738.db2.gz LBGJPOCGGPBUFC-AAEUAGOBSA-N 1 0 309.797 3.169 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000132590797 626728071 /nfs/dbraw/zinc/72/80/71/626728071.db2.gz SHWZLEVOHFMEIM-ZIAGYGMSSA-N 1 0 312.460 3.484 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](C(C)C)CC1 ZINC000807918521 626777621 /nfs/dbraw/zinc/77/76/21/626777621.db2.gz VDOYMTMCSZLYFP-UHFFFAOYSA-N 1 0 305.378 3.082 20 5 DGBDRO Cc1cccc(NCC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000133505782 626794117 /nfs/dbraw/zinc/79/41/17/626794117.db2.gz UFDCOKFSBQBDHG-UHFFFAOYSA-N 1 0 320.780 3.153 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000808175999 626803207 /nfs/dbraw/zinc/80/32/07/626803207.db2.gz ANWPFFZGKISVAI-NSHDSACASA-N 1 0 310.354 3.035 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000809351731 626905735 /nfs/dbraw/zinc/90/57/35/626905735.db2.gz KYIUQAXFEBCBPI-GFCCVEGCSA-N 1 0 311.332 3.207 20 5 DGBDRO C[C@H](O)c1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000809640810 626931189 /nfs/dbraw/zinc/93/11/89/626931189.db2.gz NNAKFBFNOLYFSI-JTQLQIEISA-N 1 0 321.402 3.130 20 5 DGBDRO CC1(C)CCC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000809733028 626943242 /nfs/dbraw/zinc/94/32/42/626943242.db2.gz OXBMKHHGMKYVNU-XJKSGUPXSA-N 1 0 306.406 3.434 20 5 DGBDRO [NH3+]CCN(Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734593 626943758 /nfs/dbraw/zinc/94/37/58/626943758.db2.gz IGWIVLRSRIJLFM-UHFFFAOYSA-N 1 0 305.765 3.214 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@H](O)c1ccccc1 ZINC000809746929 626946183 /nfs/dbraw/zinc/94/61/83/626946183.db2.gz DHIPTKHTVOJTCW-OPUMOTSWSA-N 1 0 312.369 3.321 20 5 DGBDRO CCCC[N@H+](CCCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809752240 626946615 /nfs/dbraw/zinc/94/66/15/626946615.db2.gz OJFBEHIRAZFTLP-UHFFFAOYSA-N 1 0 300.786 3.233 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCc2ccccc2CC1 ZINC000217223130 627049563 /nfs/dbraw/zinc/04/95/63/627049563.db2.gz ZPTGRTJPLPHJJI-UHFFFAOYSA-N 1 0 300.333 3.335 20 5 DGBDRO COCCN(Cc1cccnc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000885970637 627073693 /nfs/dbraw/zinc/07/36/93/627073693.db2.gz FYYALTCUUFNERY-CQSZACIVSA-N 1 0 315.373 3.199 20 5 DGBDRO Cc1ccccc1[C@@]1(F)CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886190133 627119593 /nfs/dbraw/zinc/11/95/93/627119593.db2.gz BSQRZRVQERQDLK-QGZVFWFLSA-N 1 0 315.348 3.369 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000886268987 627128383 /nfs/dbraw/zinc/12/83/83/627128383.db2.gz HQARANPUEZBYMC-GFCCVEGCSA-N 1 0 315.348 3.291 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC000886344304 627140870 /nfs/dbraw/zinc/14/08/70/627140870.db2.gz BIWDYKNNFDVFFV-MRXNPFEDSA-N 1 0 304.390 3.424 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000886727168 627197744 /nfs/dbraw/zinc/19/77/44/627197744.db2.gz JOJVELNPWBRXRA-USXIJHARSA-N 1 0 318.417 3.465 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000886727166 627197962 /nfs/dbraw/zinc/19/79/62/627197962.db2.gz JOJVELNPWBRXRA-OIISXLGYSA-N 1 0 318.417 3.465 20 5 DGBDRO CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000886786640 627204298 /nfs/dbraw/zinc/20/42/98/627204298.db2.gz HDDHWRISLYAOCI-PVAVHDDUSA-N 1 0 322.405 3.077 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871983 627211688 /nfs/dbraw/zinc/21/16/88/627211688.db2.gz GPXDJMXZZZRNBW-YOEHRIQHSA-N 1 0 303.406 3.121 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+]C2(C3CC3)CCC2)cccc1[N+](=O)[O-] ZINC000887147535 627229555 /nfs/dbraw/zinc/22/95/55/627229555.db2.gz QOXOVZHQPIVKCB-GFCCVEGCSA-N 1 0 317.389 3.153 20 5 DGBDRO O=[N+]([O-])c1cnc(NC2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000840272145 627435997 /nfs/dbraw/zinc/43/59/97/627435997.db2.gz KISNTBVDROJUII-UHFFFAOYSA-N 1 0 322.384 3.338 20 5 DGBDRO CCC[C@@H](C)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171961 627461563 /nfs/dbraw/zinc/46/15/63/627461563.db2.gz XXZMJWWHKXWLFN-CJNGLKHVSA-N 1 0 320.389 3.149 20 5 DGBDRO Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(Cl)cc1[N+](=O)[O-] ZINC000814909877 627606383 /nfs/dbraw/zinc/60/63/83/627606383.db2.gz PKAOCFIHSWPUMG-INIZCTEOSA-N 1 0 323.824 3.479 20 5 DGBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000815144302 627636932 /nfs/dbraw/zinc/63/69/32/627636932.db2.gz YDMWEMVARNLLQR-INIZCTEOSA-N 1 0 323.824 3.166 20 5 DGBDRO C[C@H]([NH2+]CCOc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563501 627685049 /nfs/dbraw/zinc/68/50/49/627685049.db2.gz FHBWITWEQGDVNU-NSHDSACASA-N 1 0 319.336 3.046 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000815585667 627687693 /nfs/dbraw/zinc/68/76/93/627687693.db2.gz OVVDYMXMVALBLT-ABAIWWIYSA-N 1 0 307.394 3.033 20 5 DGBDRO CCO[C@H](CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000815585204 627687944 /nfs/dbraw/zinc/68/79/44/627687944.db2.gz AWCNTQIJJJUMDK-BLLLJJGKSA-N 1 0 309.410 3.279 20 5 DGBDRO CSc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccn1 ZINC000815589868 627688507 /nfs/dbraw/zinc/68/85/07/627688507.db2.gz FXICWPINRCRZTB-JTQLQIEISA-N 1 0 318.402 3.145 20 5 DGBDRO CC1(C)CC2(CC([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000924954670 627697468 /nfs/dbraw/zinc/69/74/68/627697468.db2.gz HXNFTZOUZOTUCY-UHFFFAOYSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@@H]1CC2(CC([NH2+]CCCCc3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000925464498 627739110 /nfs/dbraw/zinc/73/91/10/627739110.db2.gz DHPZEVJKEUHFAZ-MXWWQKGMSA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1(Br)CC1 ZINC000925641315 627768130 /nfs/dbraw/zinc/76/81/30/627768130.db2.gz MQLCUJNCQDZOMS-JTQLQIEISA-N 1 0 313.195 3.043 20 5 DGBDRO CCOc1ccc([C@@H](C)N2CCC([NH3+])(CC)CC2)cc1[N+](=O)[O-] ZINC000925757265 627789974 /nfs/dbraw/zinc/78/99/74/627789974.db2.gz SQZMPKMCKPXSCQ-CYBMUJFWSA-N 1 0 321.421 3.258 20 5 DGBDRO C[C@@H]1COC[C@@H](C)C1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926112642 627845589 /nfs/dbraw/zinc/84/55/89/627845589.db2.gz AQFRYPFWPYRUFK-GHMZBOCLSA-N 1 0 312.797 3.051 20 5 DGBDRO C[C@@H](Cc1ccccn1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113732 627845992 /nfs/dbraw/zinc/84/59/92/627845992.db2.gz SZSRKDKQWHOKLR-LBPRGKRZSA-N 1 0 319.792 3.407 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CCO)CC2)ccc1Cl ZINC000817297524 627879543 /nfs/dbraw/zinc/87/95/43/627879543.db2.gz RWPFIZOSQWLFLN-LBPRGKRZSA-N 1 0 312.797 3.233 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817907889 627959004 /nfs/dbraw/zinc/95/90/04/627959004.db2.gz YNWXZGMCTGSALB-NUEKZKHPSA-N 1 0 323.824 3.259 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927013080 627997258 /nfs/dbraw/zinc/99/72/58/627997258.db2.gz WDYIYOJPNLKWOM-GXTWGEPZSA-N 1 0 319.405 3.319 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000927065952 628006149 /nfs/dbraw/zinc/00/61/49/628006149.db2.gz BXLPGJJFWJJGKS-YLQAJVPDSA-N 1 0 304.390 3.451 20 5 DGBDRO Cc1ccc(NCC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])nc1 ZINC000927071154 628007574 /nfs/dbraw/zinc/00/75/74/628007574.db2.gz PQRMKJXMCFBWKI-GFCCVEGCSA-N 1 0 318.352 3.200 20 5 DGBDRO CCC[C@@H]([NH2+]CCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000927077935 628009372 /nfs/dbraw/zinc/00/93/72/628009372.db2.gz GLKNMWFGXKWVDJ-QGZVFWFLSA-N 1 0 322.405 3.221 20 5 DGBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000818943157 628064035 /nfs/dbraw/zinc/06/40/35/628064035.db2.gz UZIJOYRDYSIMLL-SUMWQHHRSA-N 1 0 300.358 3.022 20 5 DGBDRO Cc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819088013 628089702 /nfs/dbraw/zinc/08/97/02/628089702.db2.gz FGTXSZBHLYDQEW-ZBEGNZNMSA-N 1 0 320.414 3.219 20 5 DGBDRO Cc1ccc([C@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819087931 628089737 /nfs/dbraw/zinc/08/97/37/628089737.db2.gz DFDOSJUBHWIKOW-KDOFPFPSSA-N 1 0 314.385 3.330 20 5 DGBDRO Cc1cc(C)cc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819095793 628091449 /nfs/dbraw/zinc/09/14/49/628091449.db2.gz USSJAQLWFGEFJX-GOSISDBHSA-N 1 0 314.385 3.077 20 5 DGBDRO CC(C)CC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000819149704 628100682 /nfs/dbraw/zinc/10/06/82/628100682.db2.gz LBBMRZNMXPNSQM-MRXNPFEDSA-N 1 0 306.406 3.434 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000819192001 628110022 /nfs/dbraw/zinc/11/00/22/628110022.db2.gz WILQOJCVBOJGLG-MRXNPFEDSA-N 1 0 320.776 3.114 20 5 DGBDRO CCc1ccc([C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000819262300 628122753 /nfs/dbraw/zinc/12/27/53/628122753.db2.gz TWTGVUVOQCGACC-GOSISDBHSA-N 1 0 314.385 3.289 20 5 DGBDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000819262589 628122996 /nfs/dbraw/zinc/12/29/96/628122996.db2.gz WZCOXOQOGNAQPU-GOSISDBHSA-N 1 0 314.385 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000819271439 628124877 /nfs/dbraw/zinc/12/48/77/628124877.db2.gz BLDDIWGXHPHUCP-BBWFWOEESA-N 1 0 304.390 3.187 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000819291189 628127897 /nfs/dbraw/zinc/12/78/97/628127897.db2.gz QYRWKBBHMAJFHG-RISCZKNCSA-N 1 0 314.332 3.043 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCC(F)(F)C2)cc1 ZINC000819291433 628127989 /nfs/dbraw/zinc/12/79/89/628127989.db2.gz UWACZJOPGGYMNU-SMDDNHRTSA-N 1 0 314.332 3.043 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCCC2(F)F)c1 ZINC000819338550 628136259 /nfs/dbraw/zinc/13/62/59/628136259.db2.gz CCHATLRNMYCCRX-OCCSQVGLSA-N 1 0 314.332 3.043 20 5 DGBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000819372299 628143063 /nfs/dbraw/zinc/14/30/63/628143063.db2.gz YZOQHFLDBPYKJJ-ZWNOBZJWSA-N 1 0 320.311 3.196 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000820670303 628284470 /nfs/dbraw/zinc/28/44/70/628284470.db2.gz MHZHASOONHCFNP-SNVBAGLBSA-N 1 0 315.776 3.165 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)s1 ZINC000823070075 628523036 /nfs/dbraw/zinc/52/30/36/628523036.db2.gz YJRLMBBGHOFUCX-GUBZILKMSA-N 1 0 320.374 3.300 20 5 DGBDRO Cc1c(-c2noc([C@@H](C(C)C)[C@@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000823270213 628543981 /nfs/dbraw/zinc/54/39/81/628543981.db2.gz PHQJYNVNVPODFB-MFKMUULPSA-N 1 0 304.350 3.040 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000824847117 628699906 /nfs/dbraw/zinc/69/99/06/628699906.db2.gz WNSGFBPPLASUQT-GDBMZVCRSA-N 1 0 324.808 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000825249434 628742333 /nfs/dbraw/zinc/74/23/33/628742333.db2.gz HFFWWCDQNFMRLA-KSSFIOAISA-N 1 0 315.417 3.199 20 5 DGBDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000827017682 628913261 /nfs/dbraw/zinc/91/32/61/628913261.db2.gz IBTOPCNAMDVAAX-GASCZTMLSA-N 1 0 310.781 3.107 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1(CO)CC=CC1 ZINC000830518093 629279787 /nfs/dbraw/zinc/27/97/87/629279787.db2.gz NYGWEOXVTFMIRP-INIZCTEOSA-N 1 0 322.380 3.177 20 5 DGBDRO CCOC(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)OCC ZINC000831539479 629388262 /nfs/dbraw/zinc/38/82/62/629388262.db2.gz RWXOKOFONBFPGN-HNNXBMFYSA-N 1 0 322.405 3.173 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CO)C(C)C ZINC000831665008 629402587 /nfs/dbraw/zinc/40/25/87/629402587.db2.gz WTGPOERPLSZTJS-XJKSGUPXSA-N 1 0 312.385 3.113 20 5 DGBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000831665005 629402775 /nfs/dbraw/zinc/40/27/75/629402775.db2.gz WTGPOERPLSZTJS-BBRMVZONSA-N 1 0 312.385 3.113 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCCCCCCC1 ZINC000831933068 629429322 /nfs/dbraw/zinc/42/93/22/629429322.db2.gz SHTARIOKTPAEFF-UHFFFAOYSA-N 1 0 319.405 3.498 20 5 DGBDRO C[C@H]([NH2+]CCCC1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834819110 629783906 /nfs/dbraw/zinc/78/39/06/629783906.db2.gz SFTHKIJWISUFFU-LBPRGKRZSA-N 1 0 307.394 3.034 20 5 DGBDRO Cc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)nc1 ZINC000835064670 629842667 /nfs/dbraw/zinc/84/26/67/629842667.db2.gz HAKACTFWMPKCBN-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CCC(C)(C)[N+](=O)[O-])ccc21 ZINC000836883374 630179070 /nfs/dbraw/zinc/17/90/70/630179070.db2.gz ZGIUPJPEZKDMPW-HNNXBMFYSA-N 1 0 319.405 3.010 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000837446323 630258822 /nfs/dbraw/zinc/25/88/22/630258822.db2.gz NCGLPGHUONIPSP-LBPRGKRZSA-N 1 0 312.391 3.076 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000837501807 630267480 /nfs/dbraw/zinc/26/74/80/630267480.db2.gz WVMKRFPTLGBOMQ-ZDUSSCGKSA-N 1 0 324.352 3.154 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](O)C(C)C ZINC000840968762 630388161 /nfs/dbraw/zinc/38/81/61/630388161.db2.gz VEYXFPFHJOTVEE-JSGCOSHPSA-N 1 0 300.786 3.133 20 5 DGBDRO CC1(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)OCCO1 ZINC000841751238 630462335 /nfs/dbraw/zinc/46/23/35/630462335.db2.gz GIKPMVVODZWMNH-MRXNPFEDSA-N 1 0 320.389 3.105 20 5 DGBDRO CC[NH2+]CC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843055213 630609342 /nfs/dbraw/zinc/60/93/42/630609342.db2.gz GXFWLOBCCBQYIG-UHFFFAOYSA-N 1 0 311.813 3.070 20 5 DGBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000843296497 630643350 /nfs/dbraw/zinc/64/33/50/630643350.db2.gz MGXXSBCSROUPDI-IRXDYDNUSA-N 1 0 316.401 3.305 20 5 DGBDRO Cc1nn(C[N@@H+]2CCc3ccccc3[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000844743663 630825296 /nfs/dbraw/zinc/82/52/96/630825296.db2.gz YMTJSDBXHRQKKW-LBPRGKRZSA-N 1 0 314.389 3.027 20 5 DGBDRO Cc1nn(C[N@@H+]2CCc3ccccc3[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000844743661 630825595 /nfs/dbraw/zinc/82/55/95/630825595.db2.gz YMTJSDBXHRQKKW-GFCCVEGCSA-N 1 0 314.389 3.027 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848524240 631676655 /nfs/dbraw/zinc/67/66/55/631676655.db2.gz RCFVBJOKEGOQFD-FUHWJXTLSA-N 1 0 312.369 3.214 20 5 DGBDRO C[C@H](O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848527029 631677626 /nfs/dbraw/zinc/67/76/26/631677626.db2.gz PJFVCQHTJMGYMD-YVEFUNNKSA-N 1 0 312.369 3.425 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000848527013 631677848 /nfs/dbraw/zinc/67/78/48/631677848.db2.gz OYRCMUZJKNSNHK-NVXWUHKLSA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848533945 631682195 /nfs/dbraw/zinc/68/21/95/631682195.db2.gz WNEZBWIRZMXMAN-OAHLLOKOSA-N 1 0 313.313 3.280 20 5 DGBDRO Cc1cccc([C@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848535117 631682267 /nfs/dbraw/zinc/68/22/67/631682267.db2.gz DKGQKSAARCVHFK-FUHWJXTLSA-N 1 0 312.369 3.214 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848785598 631748322 /nfs/dbraw/zinc/74/83/22/631748322.db2.gz MTOLTWCFMOIRQK-WBVHZDCISA-N 1 0 317.389 3.226 20 5 DGBDRO C[C@H]([NH2+]Cc1ccnn1CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000850312470 632111550 /nfs/dbraw/zinc/11/15/50/632111550.db2.gz OCRAHWFEFMWIFO-LBPRGKRZSA-N 1 0 300.362 3.052 20 5 DGBDRO Cc1ccncc1CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000850355600 632123742 /nfs/dbraw/zinc/12/37/42/632123742.db2.gz JRCHKOUGHKXORH-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850378414 632131940 /nfs/dbraw/zinc/13/19/40/632131940.db2.gz CIFQJHGVDITWET-IDQBRBTGSA-N 1 0 324.327 3.012 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)c1ccsc1 ZINC000850437348 632152641 /nfs/dbraw/zinc/15/26/41/632152641.db2.gz OJAZBRZYJBSPML-IINYFYTJSA-N 1 0 322.386 3.049 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CC(CF)(CF)C2)c1 ZINC000850445336 632154835 /nfs/dbraw/zinc/15/48/35/632154835.db2.gz RJRADPJGWJJMOQ-UHFFFAOYSA-N 1 0 304.724 3.426 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000850525795 632180641 /nfs/dbraw/zinc/18/06/41/632180641.db2.gz QTKBXGIZLZPTCO-JSGCOSHPSA-N 1 0 320.389 3.356 20 5 DGBDRO CC1(C)C[C@]1(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850555847 632191461 /nfs/dbraw/zinc/19/14/61/632191461.db2.gz NIUOQCONNWVNAG-KRWDZBQOSA-N 1 0 303.406 3.342 20 5 DGBDRO CO[C@H]1CC[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000851791273 632494122 /nfs/dbraw/zinc/49/41/22/632494122.db2.gz WKKIQVNMWSSLON-PBHICJAKSA-N 1 0 320.389 3.006 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H](CO)C1CCC1 ZINC000852320811 632586675 /nfs/dbraw/zinc/58/66/75/632586675.db2.gz PBIVFCYGKWCOBS-GFCCVEGCSA-N 1 0 319.188 3.152 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1CCO ZINC000852455990 632605961 /nfs/dbraw/zinc/60/59/61/632605961.db2.gz HMTASBUPIVHJDC-RISCZKNCSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000852531938 632618844 /nfs/dbraw/zinc/61/88/44/632618844.db2.gz ZULKLJVRNRATIP-LLVKDONJSA-N 1 0 311.313 3.075 20 5 DGBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000792925824 660994161 /nfs/dbraw/zinc/99/41/61/660994161.db2.gz LCEKFCPRVAZXKE-KRWDZBQOSA-N 1 0 314.385 3.495 20 5 DGBDRO CCc1ccc(OC(=O)c2ccc3c[nH+]cn3c2)c([N+](=O)[O-])c1 ZINC000793155618 661007975 /nfs/dbraw/zinc/00/79/75/661007975.db2.gz IMPKFYJBPAIVFL-UHFFFAOYSA-N 1 0 311.297 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@H]2CCO)cc1Cl ZINC000793610707 661049751 /nfs/dbraw/zinc/04/97/51/661049751.db2.gz WOYGYOURPRKDOV-ZDUSSCGKSA-N 1 0 312.797 3.375 20 5 DGBDRO CC(C)C[NH+](CC(C)C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794616539 661094270 /nfs/dbraw/zinc/09/42/70/661094270.db2.gz MKVKCDBLEDGNAF-UHFFFAOYSA-N 1 0 321.377 3.074 20 5 DGBDRO Cc1nn(C[N@@H+]2CC[C@H](c3ccc(C)cc3C)C2)cc1[N+](=O)[O-] ZINC000794656204 661096852 /nfs/dbraw/zinc/09/68/52/661096852.db2.gz QDESHNYLRNCBJH-HNNXBMFYSA-N 1 0 314.389 3.164 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CSC)CC1 ZINC000932587766 655585038 /nfs/dbraw/zinc/58/50/38/655585038.db2.gz QJIVQNFWPSCKSD-UHFFFAOYSA-N 1 0 310.419 3.178 20 5 DGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000795678528 661167157 /nfs/dbraw/zinc/16/71/57/661167157.db2.gz FMOHHMGYVFMMDC-ARFHVFGLSA-N 1 0 312.373 3.017 20 5 DGBDRO CCCCC1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000934208250 655756112 /nfs/dbraw/zinc/75/61/12/655756112.db2.gz GARPSVQVJVIAAA-UHFFFAOYSA-N 1 0 306.362 3.274 20 5 DGBDRO COCCN(Cc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051375667 655759160 /nfs/dbraw/zinc/75/91/60/655759160.db2.gz ZRZFRKXBHSFBMY-UHFFFAOYSA-N 1 0 318.348 3.383 20 5 DGBDRO C[C@@H](CC[NH+](C)C)Nc1cccc(Br)c1[N+](=O)[O-] ZINC000311214955 655984430 /nfs/dbraw/zinc/98/44/30/655984430.db2.gz MFIPHRYFHSHIMO-VIFPVBQESA-N 1 0 316.199 3.109 20 5 DGBDRO Cc1nc(C)c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000930638284 656110231 /nfs/dbraw/zinc/11/02/31/656110231.db2.gz NBRIRUKLBWHLLW-HNNXBMFYSA-N 1 0 314.389 3.314 20 5 DGBDRO CC[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)C(C)C ZINC000067366687 657330070 /nfs/dbraw/zinc/33/00/70/657330070.db2.gz UKRZHMLCPMMMNS-CYBMUJFWSA-N 1 0 317.393 3.177 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1[NH3+] ZINC000262109336 657372089 /nfs/dbraw/zinc/37/20/89/657372089.db2.gz WHDXRBRGDIGVJO-NHYWBVRUSA-N 1 0 317.414 3.102 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2ccsc2)c(Cl)c1 ZINC000230143492 659311948 /nfs/dbraw/zinc/31/19/48/659311948.db2.gz CLXSNRFMYBEDMS-ZDUSSCGKSA-N 1 0 312.778 3.133 20 5 DGBDRO C[N@H+](CCNCc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000071376866 660118992 /nfs/dbraw/zinc/11/89/92/660118992.db2.gz YHXFGQHLKHIALE-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO COC/C(C)=C\C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929748061 661334308 /nfs/dbraw/zinc/33/43/08/661334308.db2.gz HKKKXFQJUINQCK-AUWJEWJLSA-N 1 0 320.389 3.031 20 5 DGBDRO C[N@H+](CCSc1ccncc1)CCc1cccc([N+](=O)[O-])c1 ZINC000930354386 661391707 /nfs/dbraw/zinc/39/17/07/661391707.db2.gz PAIXCLDDPNCCBS-UHFFFAOYSA-N 1 0 317.414 3.256 20 5 DGBDRO Cc1cccc([C@@H](O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000930439868 661398661 /nfs/dbraw/zinc/39/86/61/661398661.db2.gz KFWXXQZDJIGDEW-SFHVURJKSA-N 1 0 314.385 3.111 20 5 DGBDRO COC/C(C)=C/C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930636371 661417666 /nfs/dbraw/zinc/41/76/66/661417666.db2.gz GBNKLPDGXXFOKR-SCZPIIQISA-N 1 0 304.390 3.367 20 5 DGBDRO C[C@@H]([NH2+]CC[S@](=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932179889 661545021 /nfs/dbraw/zinc/54/50/21/661545021.db2.gz NAUQRYBVHWCITO-DMZKTXOQSA-N 1 0 318.398 3.053 20 5 DGBDRO C[C@@H]([NH2+]CCCCCn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000932178797 661545031 /nfs/dbraw/zinc/54/50/31/661545031.db2.gz AQFZCLXCQWTCOT-CQSZACIVSA-N 1 0 302.378 3.312 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932381467 661564490 /nfs/dbraw/zinc/56/44/90/661564490.db2.gz YJIBFCTUXCRYEP-KRWDZBQOSA-N 1 0 313.357 3.110 20 5 DGBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932564199 661580280 /nfs/dbraw/zinc/58/02/80/661580280.db2.gz TVOWBHGNQBKDAK-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932899733 661607327 /nfs/dbraw/zinc/60/73/27/661607327.db2.gz NBBQLSFMTASCMO-OAHLLOKOSA-N 1 0 314.389 3.059 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000933081460 661616358 /nfs/dbraw/zinc/61/63/58/661616358.db2.gz IQATXYFYRKTDPO-MRXNPFEDSA-N 1 0 304.390 3.233 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933083453 661616916 /nfs/dbraw/zinc/61/69/16/661616916.db2.gz UTZDATMXLXOOQT-OAHLLOKOSA-N 1 0 304.390 3.233 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933879891 661664898 /nfs/dbraw/zinc/66/48/98/661664898.db2.gz VSIQDXNHXJQMCF-OAHLLOKOSA-N 1 0 308.353 3.315 20 5 DGBDRO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000934208963 661688198 /nfs/dbraw/zinc/68/81/98/661688198.db2.gz HKUNWHLGPOFZAG-CVEARBPZSA-N 1 0 319.405 3.035 20 5 DGBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000934235885 661690646 /nfs/dbraw/zinc/69/06/46/661690646.db2.gz ZCHTWZJMDUNQSR-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000934761394 661732776 /nfs/dbraw/zinc/73/27/76/661732776.db2.gz GBIIRFVUWVLHDK-ARFHVFGLSA-N 1 0 304.390 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000934837656 661739215 /nfs/dbraw/zinc/73/92/15/661739215.db2.gz UZWDVOKYIMPCCW-JKSUJKDBSA-N 1 0 304.390 3.233 20 5 DGBDRO C[C@@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000084439911 662200604 /nfs/dbraw/zinc/20/06/04/662200604.db2.gz AVYRNXPKZJFIRL-LBPRGKRZSA-N 1 0 311.813 3.212 20 5 DGBDRO O=C1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CCN1 ZINC000093101704 662344210 /nfs/dbraw/zinc/34/42/10/662344210.db2.gz DINWEOYXVYSEPE-UHFFFAOYSA-N 1 0 304.393 3.315 20 5 DGBDRO Cc1cc(C[NH3+])cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001579594145 1191981192 /nfs/dbraw/zinc/98/11/92/1191981192.db2.gz OZHBHESAMZLQAX-UHFFFAOYSA-N 1 0 324.340 3.096 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH3+])cc1Cl ZINC001579642858 1191983782 /nfs/dbraw/zinc/98/37/82/1191983782.db2.gz ZDYYJUMBHZKSDM-UHFFFAOYSA-N 1 0 319.748 3.268 20 5 DGBDRO [NH3+][C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C12CCC2 ZINC001580165551 1192011526 /nfs/dbraw/zinc/01/15/26/1192011526.db2.gz MCJYNISMNBTDNC-GJZGRUSLSA-N 1 0 324.384 3.339 20 5 DGBDRO [NH3+]CCN(Cc1ccccc1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC001580310484 1192021033 /nfs/dbraw/zinc/02/10/33/1192021033.db2.gz ULUJMRISPOWUOJ-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC001620814895 1192108566 /nfs/dbraw/zinc/10/85/66/1192108566.db2.gz FZBSOZISHXCQSX-GFCCVEGCSA-N 1 0 304.321 3.291 20 5 DGBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001620817160 1192138921 /nfs/dbraw/zinc/13/89/21/1192138921.db2.gz KWACMOKHPMOVHS-HNNXBMFYSA-N 1 0 318.373 3.351 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000480064337 1178061046 /nfs/dbraw/zinc/06/10/46/1178061046.db2.gz STOQBAGMULCFRU-XHDPSFHLSA-N 1 0 317.389 3.082 20 5 DGBDRO C[NH+](C)C1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001331075041 1178127790 /nfs/dbraw/zinc/12/77/90/1178127790.db2.gz PZNKSNOQDDNRCX-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001332958144 1178528683 /nfs/dbraw/zinc/52/86/83/1178528683.db2.gz HFZPLPYTBDYHGQ-PWSUYJOCSA-N 1 0 321.402 3.452 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC001333347623 1178592417 /nfs/dbraw/zinc/59/24/17/1178592417.db2.gz ZQSNOTOLTWUPLM-GJZGRUSLSA-N 1 0 312.373 3.182 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCC2CCOCC2)cc([N+](=O)[O-])c1 ZINC001336085435 1178991446 /nfs/dbraw/zinc/99/14/46/1178991446.db2.gz UNKFFOKTEBHMAD-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC001341569297 1179030228 /nfs/dbraw/zinc/03/02/28/1179030228.db2.gz NARDDEKBXFIJQW-AWEZNQCLSA-N 1 0 310.353 3.477 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCOc3ccccc31)C2 ZINC001341569298 1179030619 /nfs/dbraw/zinc/03/06/19/1179030619.db2.gz NARDDEKBXFIJQW-CQSZACIVSA-N 1 0 310.353 3.477 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC001343318462 1179255266 /nfs/dbraw/zinc/25/52/66/1179255266.db2.gz GWQMTGQXXFPZSY-YNEHKIRRSA-N 1 0 323.824 3.415 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@H](CCF)C2)c2ccc([N+](=O)[O-])cc12 ZINC001347238706 1179786595 /nfs/dbraw/zinc/78/65/95/1179786595.db2.gz RXOPNKHNQFCSEG-CYBMUJFWSA-N 1 0 320.368 3.282 20 5 DGBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001349838799 1179962261 /nfs/dbraw/zinc/96/22/61/1179962261.db2.gz JNMGEMISQSAKAS-SMDDNHRTSA-N 1 0 320.389 3.292 20 5 DGBDRO Cc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC001440752457 1182047250 /nfs/dbraw/zinc/04/72/50/1182047250.db2.gz CTVXWCYWTVKBNA-UHFFFAOYSA-N 1 0 317.389 3.106 20 5 DGBDRO C[C@H](CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC001458480957 1182529638 /nfs/dbraw/zinc/52/96/38/1182529638.db2.gz ZVTYIQGLMVETGB-SECBINFHSA-N 1 0 305.300 3.366 20 5 DGBDRO Cc1nc(N(CC(C)C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001458551962 1182539161 /nfs/dbraw/zinc/53/91/61/1182539161.db2.gz XLSZKXDBDJEXER-UHFFFAOYSA-N 1 0 320.437 3.102 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC001458707929 1182550166 /nfs/dbraw/zinc/55/01/66/1182550166.db2.gz VSFIULKDVYWPPU-GOEBONIOSA-N 1 0 321.396 3.433 20 5 DGBDRO Cc1cc([C@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001460831377 1182729523 /nfs/dbraw/zinc/72/95/23/1182729523.db2.gz BLINJIYISABHBW-QGZVFWFLSA-N 1 0 314.389 3.396 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)C2CCCC2)c(Cl)c1 ZINC001460853906 1182731921 /nfs/dbraw/zinc/73/19/21/1182731921.db2.gz WGDNUQWNKNTIOQ-HNNXBMFYSA-N 1 0 312.797 3.279 20 5 DGBDRO CC1CCC2(CC1)OC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)O2 ZINC001461397424 1182806444 /nfs/dbraw/zinc/80/64/44/1182806444.db2.gz HNIVQZZQAOFGRU-PWZRNIHTSA-N 1 0 320.389 3.006 20 5 DGBDRO COCC[C@@H](CO)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001461479024 1182817225 /nfs/dbraw/zinc/81/72/25/1182817225.db2.gz SXHVOCAGMPGVSX-KRWDZBQOSA-N 1 0 309.409 3.480 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCN1C ZINC001461810017 1182858971 /nfs/dbraw/zinc/85/89/71/1182858971.db2.gz ZSLWKUONUPKZED-IDKBZEPQSA-N 1 0 303.406 3.072 20 5 DGBDRO Cc1ccc(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001472844038 1183689855 /nfs/dbraw/zinc/68/98/55/1183689855.db2.gz BAIKEIKTJDJJCV-IRXDYDNUSA-N 1 0 323.396 3.366 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001472857225 1183691305 /nfs/dbraw/zinc/69/13/05/1183691305.db2.gz ASAJMBISBDUYCT-CQSZACIVSA-N 1 0 304.394 3.199 20 5 DGBDRO C[N@@H+]1C[C@@]23CN(c4c(F)cccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001472903448 1183698708 /nfs/dbraw/zinc/69/87/08/1183698708.db2.gz CWCPZJIBNIAEKQ-CALCHBBNSA-N 1 0 319.380 3.046 20 5 DGBDRO Cc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001473981950 1183842530 /nfs/dbraw/zinc/84/25/30/1183842530.db2.gz WSBXSQBYEMIHTR-UHFFFAOYSA-N 1 0 304.321 3.211 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC001474401059 1183916148 /nfs/dbraw/zinc/91/61/48/1183916148.db2.gz DJFZKGJMHRPEEF-AAEUAGOBSA-N 1 0 308.378 3.320 20 5 DGBDRO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC001474739946 1183971230 /nfs/dbraw/zinc/97/12/30/1183971230.db2.gz FIJHNRGSNLDXJM-WBVHZDCISA-N 1 0 321.465 3.482 20 5 DGBDRO CC[N@H+]1[C@H](C)CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1C ZINC001612819976 1193462074 /nfs/dbraw/zinc/46/20/74/1193462074.db2.gz KSZCBICRGPOJSL-BETUJISGSA-N 1 0 314.389 3.062 20 5 DGBDRO CC[N@H+](C)[C@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001613088380 1193467445 /nfs/dbraw/zinc/46/74/45/1193467445.db2.gz TYFTXCFQLJKWJB-NSHDSACASA-N 1 0 317.311 3.144 20 5 DGBDRO CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001615497092 1193523045 /nfs/dbraw/zinc/52/30/45/1193523045.db2.gz STININYLLJNGTA-KGLIPLIRSA-N 1 0 319.405 3.434 20 5 DGBDRO O=[N+]([O-])c1c(NCCNc2ccccn2)ccc2cnccc21 ZINC001559055000 1189166102 /nfs/dbraw/zinc/16/61/02/1189166102.db2.gz SLSLYIBNTWUJAB-UHFFFAOYSA-N 1 0 309.329 3.062 20 5 DGBDRO CC(C)[N@H+](C)CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001559092022 1189169999 /nfs/dbraw/zinc/16/99/99/1189169999.db2.gz ZNWWJFMFOPRRAG-UHFFFAOYSA-N 1 0 305.300 3.366 20 5 DGBDRO Cc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC001559118481 1189172577 /nfs/dbraw/zinc/17/25/77/1189172577.db2.gz IGCLEPVMKKDCNB-ZDUSSCGKSA-N 1 0 309.385 3.353 20 5 DGBDRO CC(C)(C)C[N@H+](CCCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559530984 1189213942 /nfs/dbraw/zinc/21/39/42/1189213942.db2.gz IRABWJWNATWPTB-UHFFFAOYSA-N 1 0 324.421 3.094 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001559836140 1189247646 /nfs/dbraw/zinc/24/76/46/1189247646.db2.gz HUOWPIAIYVNXBF-UONOGXRCSA-N 1 0 322.405 3.493 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001559839279 1189247913 /nfs/dbraw/zinc/24/79/13/1189247913.db2.gz WZFALIOCUITWIK-LBPRGKRZSA-N 1 0 311.813 3.164 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001559921879 1189258003 /nfs/dbraw/zinc/25/80/03/1189258003.db2.gz USRGQWAJMSMQBK-QWHCGFSZSA-N 1 0 307.350 3.417 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2nccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC001560274341 1189303736 /nfs/dbraw/zinc/30/37/36/1189303736.db2.gz IERITWSDOMNYFL-GFCCVEGCSA-N 1 0 308.341 3.389 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001560382634 1189321053 /nfs/dbraw/zinc/32/10/53/1189321053.db2.gz LEVNXSGNZXBADW-ZIAGYGMSSA-N 1 0 308.426 3.376 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC001560590371 1189344796 /nfs/dbraw/zinc/34/47/96/1189344796.db2.gz UAWMATZQOROWDL-APYUEPQZSA-N 1 0 304.390 3.375 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2c[nH]c(=O)c3ccccc23)cc1[N+](=O)[O-] ZINC001560593988 1189345431 /nfs/dbraw/zinc/34/54/31/1189345431.db2.gz WDDUGPRJAOICIQ-UHFFFAOYSA-N 1 0 323.352 3.447 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001560742045 1189373074 /nfs/dbraw/zinc/37/30/74/1189373074.db2.gz QJRARDALTCDNJH-DMDPSCGWSA-N 1 0 308.378 3.223 20 5 DGBDRO [NH3+]CCN(C/C=C\c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC001560815979 1189386441 /nfs/dbraw/zinc/38/64/41/1189386441.db2.gz YBMASRSKGRSJOU-XQRVVYSFSA-N 1 0 315.348 3.212 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)C[C@@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC001560999250 1189417971 /nfs/dbraw/zinc/41/79/71/1189417971.db2.gz QCENQHIGEPCHHF-LLVKDONJSA-N 1 0 310.394 3.423 20 5 DGBDRO CC(C)C[C@@](C)(C[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC001575529800 1191488155 /nfs/dbraw/zinc/48/81/55/1191488155.db2.gz AEJVDFDIHMPMLR-AWEZNQCLSA-N 1 0 313.785 3.198 20 5 DGBDRO C[C@H]([NH3+])[C@H](C)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001576102881 1191530740 /nfs/dbraw/zinc/53/07/40/1191530740.db2.gz IVTQQFGEDHWNHI-UWVGGRQHSA-N 1 0 323.780 3.334 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@H]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC001621260515 1193823726 /nfs/dbraw/zinc/82/37/26/1193823726.db2.gz YIKUIHZHYYPTKY-LBPRGKRZSA-N 1 0 308.378 3.367 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001621398617 1193837605 /nfs/dbraw/zinc/83/76/05/1193837605.db2.gz NAURWSXCNFYTSI-NWDGAFQWSA-N 1 0 308.378 3.223 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001639463185 1194767483 /nfs/dbraw/zinc/76/74/83/1194767483.db2.gz CNHKXCOZSXWYQZ-ZDUSSCGKSA-N 1 0 322.409 3.063 20 5 DGBDRO O=[N+]([O-])c1c(NCC[N@H+]2CC=CCC2)cccc1C(F)(F)F ZINC001639862631 1194785194 /nfs/dbraw/zinc/78/51/94/1194785194.db2.gz PZKRGKIWHBHZCL-UHFFFAOYSA-N 1 0 315.295 3.287 20 5 DGBDRO Cc1cc(N2CC([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001639901659 1194786886 /nfs/dbraw/zinc/78/68/86/1194786886.db2.gz GBERZUUJFZBVIE-UHFFFAOYSA-N 1 0 311.385 3.224 20 5 DGBDRO CCC(CC)[NH2+]CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001640105401 1194796716 /nfs/dbraw/zinc/79/67/16/1194796716.db2.gz MECCIXSKABCIIT-UHFFFAOYSA-N 1 0 315.801 3.447 20 5 DGBDRO CC(C)(C)CC[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001641561574 1194860325 /nfs/dbraw/zinc/86/03/25/1194860325.db2.gz NYCFFXOZYBXUBG-UHFFFAOYSA-N 1 0 323.412 3.288 20 5 DGBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001642750254 1194935378 /nfs/dbraw/zinc/93/53/78/1194935378.db2.gz YLLTWBPJULWJNK-LBPRGKRZSA-N 1 0 306.410 3.009 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CCCN(CCF)C2)c(Cl)c1 ZINC001642866462 1194949256 /nfs/dbraw/zinc/94/92/56/1194949256.db2.gz UZHSDADKQIQFIS-JTQLQIEISA-N 1 0 301.749 3.094 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001643274487 1195010338 /nfs/dbraw/zinc/01/03/38/1195010338.db2.gz FOXNAJBLXXTYLE-NSHDSACASA-N 1 0 315.320 3.092 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC001644479502 1195111455 /nfs/dbraw/zinc/11/14/55/1195111455.db2.gz KIYCUQHWGBWUBH-QFBILLFUSA-N 1 0 324.380 3.247 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC001644690338 1195127299 /nfs/dbraw/zinc/12/72/99/1195127299.db2.gz BGCHBCBOHUTIQA-WBVHZDCISA-N 1 0 322.405 3.239 20 5 DGBDRO C[C@H]1COC2(CCCC2)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001647854581 1195259783 /nfs/dbraw/zinc/25/97/83/1195259783.db2.gz NWYBKFKGLYRTOS-AWEZNQCLSA-N 1 0 320.389 3.007 20 5 DGBDRO CC(C)(CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001648020655 1195271664 /nfs/dbraw/zinc/27/16/64/1195271664.db2.gz ZSTCEPNEAUMVRI-KRWDZBQOSA-N 1 0 306.406 3.218 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001648139946 1195278824 /nfs/dbraw/zinc/27/88/24/1195278824.db2.gz UNIZMSVHSFBZGS-INIZCTEOSA-N 1 0 306.410 3.144 20 5 DGBDRO Cc1c(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cccc1[N+](=O)[O-] ZINC001648165527 1195280711 /nfs/dbraw/zinc/28/07/11/1195280711.db2.gz UKGUNVPSUXEBIG-ROUUACIJSA-N 1 0 323.396 3.366 20 5 DGBDRO COc1ccc(C[NH2+]CCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC001650637893 1195367988 /nfs/dbraw/zinc/36/79/88/1195367988.db2.gz ISQNNIYESLSGFI-UHFFFAOYSA-N 1 0 322.311 3.214 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001651138147 1195418772 /nfs/dbraw/zinc/41/87/72/1195418772.db2.gz MHFREJKJHFYNNX-UHFFFAOYSA-N 1 0 320.418 3.491 20 5 DGBDRO CN(CC[NH+]1CCCCC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC001651175098 1195422935 /nfs/dbraw/zinc/42/29/35/1195422935.db2.gz ZZDNFYSZSINEIY-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO CC(C)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001651262662 1195434935 /nfs/dbraw/zinc/43/49/35/1195434935.db2.gz IMRJHVCONSTZKB-HNNXBMFYSA-N 1 0 322.405 3.298 20 5 DGBDRO Cc1cc(N[C@@H](CC(C)C)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001651896800 1195521353 /nfs/dbraw/zinc/52/13/53/1195521353.db2.gz KWXDANXLFHFREY-AWEZNQCLSA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001651965494 1195529120 /nfs/dbraw/zinc/52/91/20/1195529120.db2.gz SWAPFWOXYLIYRS-MRXNPFEDSA-N 1 0 317.433 3.272 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CCC[NH+]1CCCC1 ZINC001652308619 1195579263 /nfs/dbraw/zinc/57/92/63/1195579263.db2.gz CFTBWAIBBCTTBC-UHFFFAOYSA-N 1 0 305.422 3.129 20 5 DGBDRO C[C@@](CO)([NH2+]CCC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001652955869 1195675055 /nfs/dbraw/zinc/67/50/55/1195675055.db2.gz OHSXTJLOOOVCHX-KRWDZBQOSA-N 1 0 306.406 3.362 20 5 DGBDRO CCCN(CC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC001654417473 1195802276 /nfs/dbraw/zinc/80/22/76/1195802276.db2.gz OCUNDIIWDQKFCX-UHFFFAOYSA-N 1 0 323.412 3.432 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC001654731397 1195834156 /nfs/dbraw/zinc/83/41/56/1195834156.db2.gz XPNMDZPSLDBKAN-ZDUSSCGKSA-N 1 0 321.421 3.456 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001655099152 1195876295 /nfs/dbraw/zinc/87/62/95/1195876295.db2.gz ZFHJYJFWVGQOFS-NSHDSACASA-N 1 0 317.311 3.144 20 5 DGBDRO C[NH+]1C[C@]2(C)CN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001655234427 1195894136 /nfs/dbraw/zinc/89/41/36/1195894136.db2.gz IODWMVAILNCZRX-HZPDHXFCSA-N 1 0 323.824 3.022 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001655571906 1195934235 /nfs/dbraw/zinc/93/42/35/1195934235.db2.gz DKMIOBQZJGKWMC-APWZRJJASA-N 1 0 324.380 3.377 20 5 DGBDRO C[NH+](C)C1(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001655585454 1195936188 /nfs/dbraw/zinc/93/61/88/1195936188.db2.gz MFPOWLQMMPOPQJ-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC001655599348 1195938100 /nfs/dbraw/zinc/93/81/00/1195938100.db2.gz RRLKTSBAGQMMLK-GOSISDBHSA-N 1 0 314.385 3.377 20 5 DGBDRO CC[C@@H](NCc1cn2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC001655934284 1195979191 /nfs/dbraw/zinc/97/91/91/1195979191.db2.gz KJDCTANRFKJKNZ-MRXNPFEDSA-N 1 0 310.357 3.483 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC001656178429 1196014511 /nfs/dbraw/zinc/01/45/11/1196014511.db2.gz WYECUGKNEFYICF-UHFFFAOYSA-N 1 0 306.749 3.286 20 5 DGBDRO Cc1cccnc1[C@@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001656488360 1196043896 /nfs/dbraw/zinc/04/38/96/1196043896.db2.gz BONLRXNBKYNCGZ-CQSZACIVSA-N 1 0 315.373 3.418 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCCC[C@@]23CCOC3)ccc1[N+](=O)[O-] ZINC001656550080 1196049083 /nfs/dbraw/zinc/04/90/83/1196049083.db2.gz ZNIGEZNGWZAEAK-KRWDZBQOSA-N 1 0 320.389 3.139 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)CN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001656626065 1196055752 /nfs/dbraw/zinc/05/57/52/1196055752.db2.gz MOURNRTVOYVCBF-AWEZNQCLSA-N 1 0 305.422 3.113 20 5 DGBDRO C[C@H]([NH2+]Cc1cn2ccnc2s1)c1cccc([N+](=O)[O-])c1 ZINC001656820080 1196073483 /nfs/dbraw/zinc/07/34/83/1196073483.db2.gz LXSQFLRBMHHVCT-JTQLQIEISA-N 1 0 302.359 3.155 20 5 DGBDRO Cc1c(C[NH2+]CCOc2ccc(Cl)cn2)cccc1[N+](=O)[O-] ZINC001656887278 1196080203 /nfs/dbraw/zinc/08/02/03/1196080203.db2.gz WXVDNGMBINESDY-UHFFFAOYSA-N 1 0 321.764 3.120 20 5 DGBDRO CC[C@@]1(C)CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001657251916 1196123460 /nfs/dbraw/zinc/12/34/60/1196123460.db2.gz ALBVHZHQQCXLTD-INIZCTEOSA-N 1 0 308.378 3.321 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001657322884 1196130750 /nfs/dbraw/zinc/13/07/50/1196130750.db2.gz NRAPLZKOMZAXMQ-WMLDXEAASA-N 1 0 322.405 3.144 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ncccc1F ZINC001657550179 1196153887 /nfs/dbraw/zinc/15/38/87/1196153887.db2.gz RVSKSDRRJVBCMU-UHFFFAOYSA-N 1 0 309.728 3.115 20 5 DGBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001658340942 1196244266 /nfs/dbraw/zinc/24/42/66/1196244266.db2.gz HDHLECLTQZFDDQ-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCC1CC1 ZINC001658727451 1196292771 /nfs/dbraw/zinc/29/27/71/1196292771.db2.gz WHWVFYJLWSAALQ-CYBMUJFWSA-N 1 0 319.405 3.482 20 5 DGBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001658780498 1196299806 /nfs/dbraw/zinc/29/98/06/1196299806.db2.gz SMKJTHIPEYSZFT-CUSVYIHLSA-N 1 0 320.389 3.175 20 5 DGBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001658780501 1196299885 /nfs/dbraw/zinc/29/98/85/1196299885.db2.gz SMKJTHIPEYSZFT-NEKXEHSPSA-N 1 0 320.389 3.175 20 5 DGBDRO COC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC(C)CC1 ZINC001659085044 1196342308 /nfs/dbraw/zinc/34/23/08/1196342308.db2.gz IZOIAVCINSKBBX-UHFFFAOYSA-N 1 0 306.406 3.322 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC001659324298 1196371452 /nfs/dbraw/zinc/37/14/52/1196371452.db2.gz CUNGUHKWFVUCHI-KRWDZBQOSA-N 1 0 306.406 3.459 20 5 DGBDRO CC1(C)CC[C@H](CO)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001659544164 1196394314 /nfs/dbraw/zinc/39/43/14/1196394314.db2.gz JQDUUJOSDLNUMY-CYBMUJFWSA-N 1 0 312.797 3.231 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc2ccccc2n1 ZINC001659763027 1196412170 /nfs/dbraw/zinc/41/21/70/1196412170.db2.gz UHRZYWKOEBXFPY-UHFFFAOYSA-N 1 0 322.368 3.213 20 5 DGBDRO COC(=O)[C@H]1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001660030776 1196439520 /nfs/dbraw/zinc/43/95/20/1196439520.db2.gz DPXAXHZPVHTRCR-IPYPFGDCSA-N 1 0 320.389 3.225 20 5 DGBDRO CC1(C)CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001660195294 1196456263 /nfs/dbraw/zinc/45/62/63/1196456263.db2.gz ZVWXDEGFNFFIID-UHFFFAOYSA-N 1 0 311.813 3.070 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](C)C[NH+]1CCCC1 ZINC001660976869 1196548860 /nfs/dbraw/zinc/54/88/60/1196548860.db2.gz RMGOUGCWTRECRF-CYBMUJFWSA-N 1 0 305.422 3.033 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC001661346389 1196597010 /nfs/dbraw/zinc/59/70/10/1196597010.db2.gz ATIOJKJKGZMJQF-AWEZNQCLSA-N 1 0 303.406 3.045 20 5 DGBDRO Cc1ccc(CNCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001662194085 1196692724 /nfs/dbraw/zinc/69/27/24/1196692724.db2.gz LZSPDZBCVAHZKH-HNNXBMFYSA-N 1 0 305.422 3.257 20 5 DGBDRO CC[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001663317048 1196833166 /nfs/dbraw/zinc/83/31/66/1196833166.db2.gz YTSJKEHLLSZACL-CQSZACIVSA-N 1 0 322.405 3.361 20 5 DGBDRO CCOC(OCC)[C@@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001663513740 1196891680 /nfs/dbraw/zinc/89/16/80/1196891680.db2.gz AFRISSAOVWJXEY-CYBMUJFWSA-N 1 0 310.394 3.089 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1CO ZINC001664716288 1197042222 /nfs/dbraw/zinc/04/22/22/1197042222.db2.gz GKBXEMYAUCFBLZ-MWQQHZPXSA-N 1 0 318.417 3.057 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000248101006 1203794756 /nfs/dbraw/zinc/79/47/56/1203794756.db2.gz DWGWZXGBJZUGAJ-SNVBAGLBSA-N 1 0 304.268 3.087 20 5 DGBDRO C[N@H+](CCOC1CCCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC001169665297 1081623705 /nfs/dbraw/zinc/62/37/05/1081623705.db2.gz CENZTCNQFIZTOD-UHFFFAOYSA-N 1 0 306.406 3.418 20 5 DGBDRO Cc1cnc(N2CC3(CC[NH2+]CC3)c3ccccc32)c([N+](=O)[O-])c1 ZINC001167072543 1081637457 /nfs/dbraw/zinc/63/74/57/1081637457.db2.gz XVWVEFSWZRUNHL-UHFFFAOYSA-N 1 0 324.384 3.071 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC12CC[NH+](CC1)CC2 ZINC001169793021 1081655874 /nfs/dbraw/zinc/65/58/74/1081655874.db2.gz KDRPFJXQNQPTMN-UHFFFAOYSA-N 1 0 312.373 3.041 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170296244 1082337218 /nfs/dbraw/zinc/33/72/18/1082337218.db2.gz FVQYFYBXJFYQDX-UKRRQHHQSA-N 1 0 322.405 3.083 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC001170294580 1082337372 /nfs/dbraw/zinc/33/73/72/1082337372.db2.gz BFMIPCUQBZLSIF-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC001170299135 1082338298 /nfs/dbraw/zinc/33/82/98/1082338298.db2.gz QQXDRVPJIXHURM-CORIIIEPSA-N 1 0 310.369 3.262 20 5 DGBDRO CCCCOCCC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170306429 1082339383 /nfs/dbraw/zinc/33/93/83/1082339383.db2.gz UYQMDPJZCJFHMN-CQSZACIVSA-N 1 0 324.421 3.331 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC001170305560 1082340558 /nfs/dbraw/zinc/34/05/58/1082340558.db2.gz NDEKYROMCZOLBP-QEJZJMRPSA-N 1 0 322.405 3.082 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC001170315499 1082344715 /nfs/dbraw/zinc/34/47/15/1082344715.db2.gz MSAFINIBYBADEK-CABCVRRESA-N 1 0 305.422 3.380 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170329921 1082347423 /nfs/dbraw/zinc/34/74/23/1082347423.db2.gz WWDJTTRBTMEIQW-CYBMUJFWSA-N 1 0 315.373 3.061 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]C(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC001170306545 1082348785 /nfs/dbraw/zinc/34/87/85/1082348785.db2.gz XEKMJGYAMGATGF-NSHDSACASA-N 1 0 304.390 3.313 20 5 DGBDRO COC[C@H]1CCCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170335160 1082348891 /nfs/dbraw/zinc/34/88/91/1082348891.db2.gz LVZJQXAMAKRBRU-UKRRQHHQSA-N 1 0 322.405 3.035 20 5 DGBDRO CCO[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344657 1082355807 /nfs/dbraw/zinc/35/58/07/1082355807.db2.gz DRVMAANMDPBYED-CZUORRHYSA-N 1 0 322.405 3.035 20 5 DGBDRO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC001170345443 1082356474 /nfs/dbraw/zinc/35/64/74/1082356474.db2.gz KQXZSLOZKKKVJS-CYBMUJFWSA-N 1 0 322.405 3.035 20 5 DGBDRO Cc1cnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC001170452130 1082479000 /nfs/dbraw/zinc/47/90/00/1082479000.db2.gz ZAXOCQMTMNPGCT-UHFFFAOYSA-N 1 0 306.410 3.362 20 5 DGBDRO COc1cc(C)c([N+](=O)[O-])cc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167624810 1082618264 /nfs/dbraw/zinc/61/82/64/1082618264.db2.gz GOXVRHORPJIZFH-UHFFFAOYSA-N 1 0 321.421 3.397 20 5 DGBDRO [NH3+]CCN(CCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC001181555264 1083491052 /nfs/dbraw/zinc/49/10/52/1083491052.db2.gz KGHOOJKBVUZIIZ-UHFFFAOYSA-N 1 0 319.792 3.256 20 5 DGBDRO Cc1c(F)cnc(NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC001167750696 1083621434 /nfs/dbraw/zinc/62/14/34/1083621434.db2.gz BXYQRMKIOJNKKE-NSHDSACASA-N 1 0 310.373 3.114 20 5 DGBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001183652992 1083990012 /nfs/dbraw/zinc/99/00/12/1083990012.db2.gz XLKWPXNDBLDRIZ-LBPRGKRZSA-N 1 0 314.341 3.232 20 5 DGBDRO CCOC(=O)CC(C)(C)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001184045577 1084094927 /nfs/dbraw/zinc/09/49/27/1084094927.db2.gz OHXUMOKVSOWRRE-ZDUSSCGKSA-N 1 0 322.405 3.267 20 5 DGBDRO CC1(C)CC[C@H](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)OC1 ZINC001184045072 1084095697 /nfs/dbraw/zinc/09/56/97/1084095697.db2.gz IZJSIRIHTHPHNT-MRXNPFEDSA-N 1 0 306.406 3.322 20 5 DGBDRO c1ccc2cc3c(cc2c1)ncnc3NCC[NH+]1CCSCC1 ZINC001167834942 1084155233 /nfs/dbraw/zinc/15/52/33/1084155233.db2.gz QGQZTRNCTMZBSO-UHFFFAOYSA-N 1 0 324.453 3.244 20 5 DGBDRO Cc1ccc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001184710459 1084245619 /nfs/dbraw/zinc/24/56/19/1084245619.db2.gz HHRNYQYPDAAYIA-KBPBESRZSA-N 1 0 321.421 3.203 20 5 DGBDRO O=[N+]([O-])c1cc2c(nc1NCC[NH+]1CCCCCC1)CCCC2 ZINC001184811379 1084270803 /nfs/dbraw/zinc/27/08/03/1084270803.db2.gz KBSCAJRYGYGGPU-UHFFFAOYSA-N 1 0 318.421 3.157 20 5 DGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC001186367873 1084636043 /nfs/dbraw/zinc/63/60/43/1084636043.db2.gz KMNAHHNIMUNDAC-ZDUSSCGKSA-N 1 0 313.348 3.405 20 5 DGBDRO C[NH+]1CC2(CN(C(=O)c3ccc4cc5ccccc5cc4c3)C2)C1 ZINC001269076982 1085115471 /nfs/dbraw/zinc/11/54/71/1085115471.db2.gz HDUCEXZPZUKUMQ-UHFFFAOYSA-N 1 0 316.404 3.381 20 5 DGBDRO CC1(Nc2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001168186062 1087031871 /nfs/dbraw/zinc/03/18/71/1087031871.db2.gz QVKHTBGQHGIJRU-UHFFFAOYSA-N 1 0 319.283 3.047 20 5 DGBDRO Cc1cnc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001158265037 1087748989 /nfs/dbraw/zinc/74/89/89/1087748989.db2.gz FGUUTZRABQEUMP-WBMJQRKESA-N 1 0 306.410 3.254 20 5 DGBDRO Cc1ccnc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158268683 1087753127 /nfs/dbraw/zinc/75/31/27/1087753127.db2.gz QCWRMBGEMRQHNL-MLGOLLRUSA-N 1 0 306.410 3.254 20 5 DGBDRO CC(C)[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC001158501105 1087877992 /nfs/dbraw/zinc/87/79/92/1087877992.db2.gz KZTTVUROIQJEHX-ZDUSSCGKSA-N 1 0 314.389 3.062 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(NCC34CC[NH+](CC3)CC4)nc21 ZINC001158827543 1088053753 /nfs/dbraw/zinc/05/37/53/1088053753.db2.gz UGDFTEJLTNXREJ-UHFFFAOYSA-N 1 0 312.373 3.041 20 5 DGBDRO O=[N+]([O-])c1cccc2nc(NCC34CC[NH+](CC3)CC4)ccc21 ZINC001158826663 1088053870 /nfs/dbraw/zinc/05/38/70/1088053870.db2.gz FYWNOMQIFQPAFF-UHFFFAOYSA-N 1 0 312.373 3.041 20 5 DGBDRO Cc1cc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC001159513691 1088375183 /nfs/dbraw/zinc/37/51/83/1088375183.db2.gz UIGWUULVHZKZOX-INIZCTEOSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[NH2+]Cc1cccc(Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC001159956966 1088573982 /nfs/dbraw/zinc/57/39/82/1088573982.db2.gz ZEZJSMQHIUZMDG-UHFFFAOYSA-N 1 0 301.346 3.457 20 5 DGBDRO [NH3+][C@@H]1CCN(c2cccc(F)c2Nc2ccccc2[N+](=O)[O-])C1 ZINC001160070742 1088631219 /nfs/dbraw/zinc/63/12/19/1088631219.db2.gz IZKCMERJUOSOEP-LLVKDONJSA-N 1 0 316.336 3.015 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160127887 1088654155 /nfs/dbraw/zinc/65/41/55/1088654155.db2.gz IOADWFGXDDJMGH-CYBMUJFWSA-N 1 0 317.320 3.218 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001160394666 1088780276 /nfs/dbraw/zinc/78/02/76/1088780276.db2.gz LSXMZNICNOSPIU-LRDDRELGSA-N 1 0 311.341 3.095 20 5 DGBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001155123814 1088960404 /nfs/dbraw/zinc/96/04/04/1088960404.db2.gz KCUGANVUIKFOKB-INIZCTEOSA-N 1 0 318.352 3.037 20 5 DGBDRO Cc1cc(N[C@@H](C[NH3+])C(C)(C)C)nc2ccc([N+](=O)[O-])cc12 ZINC001160912589 1089016694 /nfs/dbraw/zinc/01/66/94/1089016694.db2.gz RVBMOGMESJUBJG-AWEZNQCLSA-N 1 0 302.378 3.237 20 5 DGBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cc1Cl ZINC001155247212 1089025134 /nfs/dbraw/zinc/02/51/34/1089025134.db2.gz DJAWAWUIJGBNRU-QMMMGPOBSA-N 1 0 317.736 3.002 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CCNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001160963804 1089047366 /nfs/dbraw/zinc/04/73/66/1089047366.db2.gz IOHJXDMAECMQGW-CYBMUJFWSA-N 1 0 300.362 3.039 20 5 DGBDRO CCC(CC)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001161094754 1089112108 /nfs/dbraw/zinc/11/21/08/1089112108.db2.gz JZHAYBCEDDEEJV-UHFFFAOYSA-N 1 0 306.410 3.363 20 5 DGBDRO Cc1cnc(NC2CC[NH+](CC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001161206233 1089153051 /nfs/dbraw/zinc/15/30/51/1089153051.db2.gz MPEFOKIAAQCVDL-UHFFFAOYSA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(N(CC[NH3+])c2ccc(F)cc2)nc1Cl ZINC001161877457 1089448657 /nfs/dbraw/zinc/44/86/57/1089448657.db2.gz KPJIXPXUUXNBJX-UHFFFAOYSA-N 1 0 324.743 3.188 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001156501438 1089552338 /nfs/dbraw/zinc/55/23/38/1089552338.db2.gz QMJGWPWYNPMDFG-UHFFFAOYSA-N 1 0 317.393 3.003 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1N[C@H](C)c1nnc2ccccn21 ZINC001162181888 1089597276 /nfs/dbraw/zinc/59/72/76/1089597276.db2.gz BCUCPSDFUCDVBD-OAHLLOKOSA-N 1 0 324.452 3.499 20 5 DGBDRO C[C@@]1([NH3+])C[C@H](Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001162330847 1089675880 /nfs/dbraw/zinc/67/58/80/1089675880.db2.gz JOBXGTBBCCVTEE-DEZZCRIOSA-N 1 0 306.753 3.088 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162404206 1089720026 /nfs/dbraw/zinc/72/00/26/1089720026.db2.gz IZDITEJLZNJQGN-STQMWFEESA-N 1 0 307.394 3.372 20 5 DGBDRO CCOc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001162472059 1089750173 /nfs/dbraw/zinc/75/01/73/1089750173.db2.gz UNPJULKVMZXWAE-STQMWFEESA-N 1 0 307.394 3.041 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156928256 1089751000 /nfs/dbraw/zinc/75/10/00/1089751000.db2.gz JQLOVORPTUKJIU-GFCCVEGCSA-N 1 0 317.393 3.148 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(Nc2ccc(C[NH3+])c(F)c2)n1 ZINC001162522928 1089770938 /nfs/dbraw/zinc/77/09/38/1089770938.db2.gz WQBBUECCSJBHAJ-UHFFFAOYSA-N 1 0 310.716 3.293 20 5 DGBDRO [NH3+]Cc1ccc(Nc2nccc3ccc([N+](=O)[O-])cc32)cc1F ZINC001162528299 1089776026 /nfs/dbraw/zinc/77/60/26/1089776026.db2.gz BFRSRBDEYDUYHR-UHFFFAOYSA-N 1 0 312.304 3.484 20 5 DGBDRO CC(C)[N@H+](C)[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001157022112 1089787940 /nfs/dbraw/zinc/78/79/40/1089787940.db2.gz USWPJWJJFACQHN-HNNXBMFYSA-N 1 0 314.389 3.062 20 5 DGBDRO O=[N+]([O-])c1cc(NC[C@@]2(F)CCCC[NH2+]C2)cc2cccnc21 ZINC001162583971 1089807475 /nfs/dbraw/zinc/80/74/75/1089807475.db2.gz WQCQEFPPMKFHFD-MRXNPFEDSA-N 1 0 318.352 3.037 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC001162849693 1089993258 /nfs/dbraw/zinc/99/32/58/1089993258.db2.gz PFGCWWZKWVFHGI-ZDUSSCGKSA-N 1 0 320.352 3.165 20 5 DGBDRO c1ccc2c(c1)nc(N[C@H]1COCCC13C[NH2+]C3)c1ccccc21 ZINC001163083489 1090071830 /nfs/dbraw/zinc/07/18/30/1090071830.db2.gz ZAGWPBVJJRDLAV-SFHVURJKSA-N 1 0 319.408 3.178 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)nc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163216017 1090118467 /nfs/dbraw/zinc/11/84/67/1090118467.db2.gz UZNNFTLJWNPXJP-RISCZKNCSA-N 1 0 318.764 3.158 20 5 DGBDRO Cc1c(C)c(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001163367382 1090166762 /nfs/dbraw/zinc/16/67/62/1090166762.db2.gz YXAPGNQAVPCHPZ-FZMZJTMJSA-N 1 0 306.410 3.137 20 5 DGBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH+]3CCC2CC3)cc(C(F)(F)F)c1 ZINC001163393383 1090174725 /nfs/dbraw/zinc/17/47/25/1090174725.db2.gz UTZXUBYQXLUAIK-ZDUSSCGKSA-N 1 0 315.295 3.120 20 5 DGBDRO C[C@H](CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC001163404327 1090178677 /nfs/dbraw/zinc/17/86/77/1090178677.db2.gz RASHMZCSJMMUSM-SECBINFHSA-N 1 0 305.300 3.223 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001163480554 1090196127 /nfs/dbraw/zinc/19/61/27/1090196127.db2.gz JXLVPRHPLKOUDH-UHFFFAOYSA-N 1 0 318.421 3.155 20 5 DGBDRO CC(C)N(CCC[NH3+])c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001164122347 1090348329 /nfs/dbraw/zinc/34/83/29/1090348329.db2.gz AHCGPYGOEGPYAA-UHFFFAOYSA-N 1 0 305.300 3.177 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001164542494 1090438057 /nfs/dbraw/zinc/43/80/57/1090438057.db2.gz VBQWVSXNZFBTAK-SNVBAGLBSA-N 1 0 309.416 3.391 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(CCCC[NH2+]3)CC2)n1 ZINC001165247354 1090487845 /nfs/dbraw/zinc/48/78/45/1090487845.db2.gz VXXDASDURUSSSZ-UHFFFAOYSA-N 1 0 324.812 3.064 20 5 DGBDRO Clc1ccc2ccc3ccc(N4CCC[C@H]5[NH2+]C[C@@H]54)nc3c2n1 ZINC001165391672 1090514033 /nfs/dbraw/zinc/51/40/33/1090514033.db2.gz IFEGQVBXZJPTIW-KGLIPLIRSA-N 1 0 324.815 3.377 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(N3CCC(C4C[NH2+]C4)CC3)nc12 ZINC001165410444 1090516752 /nfs/dbraw/zinc/51/67/52/1090516752.db2.gz HGBCCDTUWLADFD-UHFFFAOYSA-N 1 0 318.424 3.219 20 5 DGBDRO C[NH2+]Cc1cccc(Nc2nc(C)cc(Cl)c2[N+](=O)[O-])c1 ZINC001167033508 1090699281 /nfs/dbraw/zinc/69/92/81/1090699281.db2.gz OIRGWDFYCWYILV-UHFFFAOYSA-N 1 0 306.753 3.415 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+](CC2CCC(O)CC2)C2CC2)cc1 ZINC001117777645 1091064018 /nfs/dbraw/zinc/06/40/18/1091064018.db2.gz YJPZYXUELSEUJK-UHFFFAOYSA-N 1 0 304.390 3.110 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC001649134270 1091354834 /nfs/dbraw/zinc/35/48/34/1091354834.db2.gz VUFVMCUPOORFSA-OAHLLOKOSA-N 1 0 312.369 3.305 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC001649134264 1091355049 /nfs/dbraw/zinc/35/50/49/1091355049.db2.gz VUFVMCUPOORFSA-HNNXBMFYSA-N 1 0 312.369 3.305 20 5 DGBDRO C[NH+](C)CCCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000041675713 1091380253 /nfs/dbraw/zinc/38/02/53/1091380253.db2.gz PQHWNZNHIXCDEH-UHFFFAOYSA-N 1 0 305.300 3.367 20 5 DGBDRO Nc1cc(Nc2c(N)c3cccnc3c3ncccc32)cc[nH+]1 ZINC001206568114 1091672381 /nfs/dbraw/zinc/67/23/81/1091672381.db2.gz IFUWTUIOKOUQNO-UHFFFAOYSA-N 1 0 302.341 3.086 20 5 DGBDRO [NH3+][C@H]1CCc2nn(-c3nc4ccccc4c4ccccc43)cc2C1 ZINC001168817966 1092365032 /nfs/dbraw/zinc/36/50/32/1092365032.db2.gz NJVPUZRWLYPERN-AWEZNQCLSA-N 1 0 314.392 3.390 20 5 DGBDRO CC(C)(C)c1ccc(N(CC[NH3+])c2cccnc2)c([N+](=O)[O-])c1 ZINC001168837149 1092390221 /nfs/dbraw/zinc/39/02/21/1092390221.db2.gz UDTCZSXZIHWQFI-UHFFFAOYSA-N 1 0 314.389 3.384 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2c(F)cc(Cl)cc2F)C1 ZINC001168978014 1092457328 /nfs/dbraw/zinc/45/73/28/1092457328.db2.gz NULJMASWBUKRDH-SCZZXKLOSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2-c2cccnc2)C1 ZINC001168980406 1092458941 /nfs/dbraw/zinc/45/89/41/1092458941.db2.gz DHZUSEVPHOBGTG-PBHICJAKSA-N 1 0 311.385 3.284 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC001168958756 1092462359 /nfs/dbraw/zinc/46/23/59/1092462359.db2.gz PEYLHNUUXWVCBD-JQWIXIFHSA-N 1 0 318.295 3.120 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)C1 ZINC001168960082 1092465050 /nfs/dbraw/zinc/46/50/50/1092465050.db2.gz ZUPYAGVEEAMOTN-GXTWGEPZSA-N 1 0 316.323 3.283 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCSCc2ccc(F)cc2)C1 ZINC001168965886 1092468404 /nfs/dbraw/zinc/46/84/04/1092468404.db2.gz DFLMYYUWQINANY-ZFWWWQNUSA-N 1 0 312.410 3.094 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccncc2)C1 ZINC001168968070 1092470644 /nfs/dbraw/zinc/47/06/44/1092470644.db2.gz VGHJJCUSOUXSRT-ZTFGCOKTSA-N 1 0 311.385 3.206 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001168968504 1092470811 /nfs/dbraw/zinc/47/08/11/1092470811.db2.gz ZRGVHGGXHPMCGS-NWDGAFQWSA-N 1 0 318.295 3.120 20 5 DGBDRO COc1ccc(C2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC2)cc1 ZINC001168992344 1092477622 /nfs/dbraw/zinc/47/76/22/1092477622.db2.gz JMNOSSROHPRBSN-UKRRQHHQSA-N 1 0 304.390 3.109 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccncc2Cl)C2CC2)C1 ZINC001168997515 1092478798 /nfs/dbraw/zinc/47/87/98/1092478798.db2.gz CURUSGFPBDVBFJ-IFUGULHKSA-N 1 0 309.797 3.221 20 5 DGBDRO COc1ccccc1CC(C)(C)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168999456 1092480750 /nfs/dbraw/zinc/48/07/50/1092480750.db2.gz UBIFMQXKWMHNKT-GOEBONIOSA-N 1 0 320.433 3.299 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CCc4ccccc43)CC2)C1 ZINC001169011880 1092487877 /nfs/dbraw/zinc/48/78/77/1092487877.db2.gz NDRPAJDFLTUJGU-NVXWUHKLSA-N 1 0 314.429 3.412 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc3C2)C1 ZINC001168989867 1092492255 /nfs/dbraw/zinc/49/22/55/1092492255.db2.gz XGRFYBGNNCHCLL-RLCCDNCMSA-N 1 0 308.809 3.232 20 5 DGBDRO C[Si](C)(C)C([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)[Si](C)(C)C ZINC001168988242 1092492475 /nfs/dbraw/zinc/49/24/75/1092492475.db2.gz PPBRJMRYFKNXPZ-RYUDHWBXSA-N 1 0 302.567 3.145 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3ccc(O)cc3)CC2)C1 ZINC001169042460 1092501609 /nfs/dbraw/zinc/50/16/09/1092501609.db2.gz DPBBXCWQBKPJIC-BBRMVZONSA-N 1 0 304.390 3.017 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3cccc(O)c3)CC2)C1 ZINC001169046666 1092507293 /nfs/dbraw/zinc/50/72/93/1092507293.db2.gz LQPLLGFMZDKBQW-CJNGLKHVSA-N 1 0 304.390 3.017 20 5 DGBDRO CC(C)[N@H+](C)CC(=O)Nc1cc2cccnc2c2ncccc12 ZINC001142588256 1092508636 /nfs/dbraw/zinc/50/86/36/1092508636.db2.gz MLSVPVKNGKILRK-UHFFFAOYSA-N 1 0 308.385 3.062 20 5 DGBDRO COC[C@@H]1C[NH2+]CCN1Cc1c2ccccc2cc2ccccc21 ZINC001210531620 1093199175 /nfs/dbraw/zinc/19/91/75/1093199175.db2.gz VPKFDODIONBJBZ-SFHVURJKSA-N 1 0 320.436 3.413 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1cc[nH+]c(N2CCCC2)c1 ZINC001210953187 1093333769 /nfs/dbraw/zinc/33/37/69/1093333769.db2.gz VAGHIVKGNOVVLC-UHFFFAOYSA-N 1 0 302.309 3.473 20 5 DGBDRO C[N@@H+]1CCc2ccc(Nc3cc(F)cc([N+](=O)[O-])c3)cc2C1 ZINC001216485279 1094207312 /nfs/dbraw/zinc/20/73/12/1094207312.db2.gz WSIURDIDOQTLDT-UHFFFAOYSA-N 1 0 301.321 3.465 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](OC[C@@H]2CCC[NH2+]C2)C(F)(F)F)cc1 ZINC001217916251 1094517135 /nfs/dbraw/zinc/51/71/35/1094517135.db2.gz DLQJWLWKHLEKCM-MFKMUULPSA-N 1 0 318.295 3.214 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC001217930361 1094519085 /nfs/dbraw/zinc/51/90/85/1094519085.db2.gz MLYKYYHRWKCXJG-OAHLLOKOSA-N 1 0 322.311 3.262 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c2ccccc21 ZINC001217933272 1094520490 /nfs/dbraw/zinc/52/04/90/1094520490.db2.gz IWZNWGYDNIIJPM-ULFGMLNVSA-N 1 0 312.369 3.263 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@@H]1OCc1ccc([N+](=O)[O-])c2ccccc12 ZINC001217938176 1094521940 /nfs/dbraw/zinc/52/19/40/1094521940.db2.gz AJEBQWWRXRIMDS-PXAZEXFGSA-N 1 0 300.358 3.263 20 5 DGBDRO F[C@H]1C[NH2+]CCC[C@@H]1Oc1cccc2nc3ccccc3nc21 ZINC001217949227 1094526596 /nfs/dbraw/zinc/52/65/96/1094526596.db2.gz NBOWJIDYWCJMOS-LRDDRELGSA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217952233 1094527506 /nfs/dbraw/zinc/52/75/06/1094527506.db2.gz VNWSDZCIINOOKO-MWLCHTKSSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3C[NH2+]CC[C@@H]3F)c2)c1 ZINC001217958393 1094530723 /nfs/dbraw/zinc/53/07/23/1094530723.db2.gz DPDXYMHKNXEGQU-IRXDYDNUSA-N 1 0 316.332 3.341 20 5 DGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C[NH2+]C[C@H]2C)c1Cl ZINC001217965287 1094533278 /nfs/dbraw/zinc/53/32/78/1094533278.db2.gz NCZAPKIQYWNJRK-HQJQHLMTSA-N 1 0 319.188 3.451 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CCCC[NH2+]C2)cc1Cl ZINC001217971552 1094535459 /nfs/dbraw/zinc/53/54/59/1094535459.db2.gz VNFLGUCVKNDUDW-QMMMGPOBSA-N 1 0 305.161 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217973978 1094537469 /nfs/dbraw/zinc/53/74/69/1094537469.db2.gz XTWACMIYVRQZDO-JOYOIKCWSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217976262 1094537944 /nfs/dbraw/zinc/53/79/44/1094537944.db2.gz KWKXTGDUAOXHSI-BXKDBHETSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c2ccccc21 ZINC001217977902 1094538078 /nfs/dbraw/zinc/53/80/78/1094538078.db2.gz ORPYTOCCCJINJE-XJKSGUPXSA-N 1 0 304.321 3.217 20 5 DGBDRO F[C@@H]1CCC[NH2+]C[C@@H]1Oc1ccnc2c1ccc1cccnc12 ZINC001217984870 1094542538 /nfs/dbraw/zinc/54/25/38/1094542538.db2.gz NVHYDPNXUHNIDC-ZBFHGGJFSA-N 1 0 311.360 3.252 20 5 DGBDRO C[C@@H](Oc1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218003344 1094552855 /nfs/dbraw/zinc/55/28/55/1094552855.db2.gz SILAMIFMDKIWMN-MRVPVSSYSA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001218027959 1094567564 /nfs/dbraw/zinc/56/75/64/1094567564.db2.gz RMZOWIMDGASDPP-QPUJVOFHSA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001218042910 1094574971 /nfs/dbraw/zinc/57/49/71/1094574971.db2.gz AELQKCRHSFFTAK-JMCQJSRRSA-N 1 0 305.161 3.278 20 5 DGBDRO C[C@H]1C[C@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218060443 1094580407 /nfs/dbraw/zinc/58/04/07/1094580407.db2.gz MMVDNDICLRHUQZ-IONNQARKSA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@H]1C[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)CC[NH2+]1 ZINC001218063388 1094581228 /nfs/dbraw/zinc/58/12/28/1094581228.db2.gz YVVVYALNRTVFEW-YUMQZZPRSA-N 1 0 305.161 3.421 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3CC[NH2+]C[C@H]3F)c2)c1 ZINC001218069329 1094585822 /nfs/dbraw/zinc/58/58/22/1094585822.db2.gz IAGIYZFJOWNXAU-IAGOWNOFSA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218078589 1094589401 /nfs/dbraw/zinc/58/94/01/1094589401.db2.gz CVVDQKPADCRDJZ-CYBMUJFWSA-N 1 0 314.744 3.298 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(O[C@@H]3CCC[C@@]34CC[NH2+]C4)sc2c1 ZINC001218094755 1094599441 /nfs/dbraw/zinc/59/94/41/1094599441.db2.gz NNWCYECRFRNOEQ-HIFRSBDPSA-N 1 0 319.386 3.116 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(O[C@@H]3CCC[C@@]34CC[NH2+]C4)c2c1 ZINC001218094928 1094600192 /nfs/dbraw/zinc/60/01/92/1094600192.db2.gz ONELTHWZFZAELN-WBVHZDCISA-N 1 0 313.357 3.054 20 5 DGBDRO CC(C)(C)c1ccc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218115014 1094613386 /nfs/dbraw/zinc/61/33/86/1094613386.db2.gz MJAAFCSUJRFFSZ-WBVHZDCISA-N 1 0 304.390 3.413 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1CCC12C[NH2+]C2 ZINC001218240638 1094674869 /nfs/dbraw/zinc/67/48/69/1094674869.db2.gz OKGXWUYBKVHCPC-KRWDZBQOSA-N 1 0 310.353 3.393 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)cc1Cl ZINC001218252854 1094682364 /nfs/dbraw/zinc/68/23/64/1094682364.db2.gz VLUGVWOEORTMIQ-XLDPMVHQSA-N 1 0 317.172 3.421 20 5 DGBDRO F[C@H]1[C@H]2CC[C@@H](C[C@@H]1Oc1cccc3nc4ccccc4nc31)[NH2+]2 ZINC001218270423 1094690087 /nfs/dbraw/zinc/69/00/87/1094690087.db2.gz JLTPAHAFLHBBQS-GITXURBOSA-N 1 0 323.371 3.393 20 5 DGBDRO CCC(CC)(CC)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001135825917 1094697643 /nfs/dbraw/zinc/69/76/43/1094697643.db2.gz IATUOTJBOYKPIU-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218306762 1094706341 /nfs/dbraw/zinc/70/63/41/1094706341.db2.gz KNEDMGHPMRLVJH-VIFPVBQESA-N 1 0 314.744 3.441 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001218326905 1094719171 /nfs/dbraw/zinc/71/91/71/1094719171.db2.gz QKZWTOWHHBNXFZ-RVKKMQEKSA-N 1 0 310.353 3.249 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2C[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC001218330090 1094720467 /nfs/dbraw/zinc/72/04/67/1094720467.db2.gz KEKFYVHHXOMZHV-QANKJYHBSA-N 1 0 310.353 3.249 20 5 DGBDRO c1ccc2c(c1)nc(OCCO[C@H]1CC[NH2+]C1)c1ccccc21 ZINC001218384343 1094742734 /nfs/dbraw/zinc/74/27/34/1094742734.db2.gz UEXULLDYZJKZPI-AWEZNQCLSA-N 1 0 308.381 3.145 20 5 DGBDRO C[C@@H]1CC[C@@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C[NH2+]1 ZINC001218395321 1094748897 /nfs/dbraw/zinc/74/88/97/1094748897.db2.gz VXEBVXGLPGMXSJ-HTQZYQBOSA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@@H]1CC[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218397923 1094750312 /nfs/dbraw/zinc/75/03/12/1094750312.db2.gz JHNIRNHFKGGTBT-PSASIEDQSA-N 1 0 304.268 3.133 20 5 DGBDRO Cc1ccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001336835007 1094753256 /nfs/dbraw/zinc/75/32/56/1094753256.db2.gz YLJOTKHPBBIBGO-KSZLIROESA-N 1 0 312.369 3.082 20 5 DGBDRO O=c1oc2cc(O[C@@H]3[C@@H]4CC[C@H]3[NH2+]C4)ccc2c2ccccc21 ZINC001218441241 1094776170 /nfs/dbraw/zinc/77/61/70/1094776170.db2.gz CQQHRJWFTPGSKF-XNAIMREJSA-N 1 0 307.349 3.075 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c(Cl)c1Cl ZINC001218461520 1094790196 /nfs/dbraw/zinc/79/01/96/1094790196.db2.gz SHVPVYRKEUWCKK-NQMVMOMDSA-N 1 0 317.172 3.278 20 5 DGBDRO CC1(C)C[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218476770 1094798187 /nfs/dbraw/zinc/79/81/87/1094798187.db2.gz TZYZHJVEPUHLGM-MRVPVSSYSA-N 1 0 302.733 3.297 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]Cc3ccccc32)c2ncccc12 ZINC001218485605 1094810282 /nfs/dbraw/zinc/81/02/82/1094810282.db2.gz DFYUISSMWXHIID-KRWDZBQOSA-N 1 0 321.336 3.366 20 5 DGBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1c2ccccc2cc2ccccc21 ZINC001219639464 1094998272 /nfs/dbraw/zinc/99/82/72/1094998272.db2.gz ZIMVRAXSRNLZAW-HOTGVXAUSA-N 1 0 322.383 3.423 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC001115907968 1095416606 /nfs/dbraw/zinc/41/66/06/1095416606.db2.gz RPOALCSEDBEYJU-GJZGRUSLSA-N 1 0 304.390 3.486 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001116030033 1095440819 /nfs/dbraw/zinc/44/08/19/1095440819.db2.gz ADWIXOLQEDROOU-WBVHZDCISA-N 1 0 314.389 3.428 20 5 DGBDRO CC(C)(C)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC001116440553 1095550853 /nfs/dbraw/zinc/55/08/53/1095550853.db2.gz LLXVKFNWXABVJW-SOFGYWHQSA-N 1 0 303.406 3.024 20 5 DGBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001222767349 1095747358 /nfs/dbraw/zinc/74/73/58/1095747358.db2.gz KLVXXPGVHFQEIZ-CQSZACIVSA-N 1 0 308.442 3.253 20 5 DGBDRO Cc1c(CO[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC001223330078 1095938739 /nfs/dbraw/zinc/93/87/39/1095938739.db2.gz HJLGKYYBDKDCPB-XOIINTDNSA-N 1 0 304.390 3.150 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)OC(Cl)(Cl)c1cccnc1Cl ZINC001223582851 1096007530 /nfs/dbraw/zinc/00/75/30/1096007530.db2.gz OKNOIIPSZUMPKL-VIFPVBQESA-N 1 0 312.648 3.434 20 5 DGBDRO Cc1cccc(CO[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1[N+](=O)[O-] ZINC001223665136 1096032211 /nfs/dbraw/zinc/03/22/11/1096032211.db2.gz OIVUIHTZGQJSEA-HALDLXJZSA-N 1 0 304.390 3.150 20 5 DGBDRO C[C@@H](C[NH+](C)C)OCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC001223732281 1096047312 /nfs/dbraw/zinc/04/73/12/1096047312.db2.gz ZMONKIYVGULFQK-NSHDSACASA-N 1 0 321.402 3.185 20 5 DGBDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001171286875 1096113554 /nfs/dbraw/zinc/11/35/54/1096113554.db2.gz LXRNMMLSUNHXGK-ZIAGYGMSSA-N 1 0 322.405 3.397 20 5 DGBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC001341374215 1096164983 /nfs/dbraw/zinc/16/49/83/1096164983.db2.gz IRWREJADSMQINR-AWEZNQCLSA-N 1 0 300.358 3.193 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)OCCCCCCNC(=O)OC(C)(C)C ZINC001224563976 1096240358 /nfs/dbraw/zinc/24/03/58/1096240358.db2.gz KVCVYWZWWPIDCZ-HNNXBMFYSA-O 1 0 317.494 3.183 20 5 DGBDRO C[C@H](OCCC[N+](C)(C)C)c1ccc(Br)nc1 ZINC001224623491 1096248918 /nfs/dbraw/zinc/24/89/18/1096248918.db2.gz OBNJLLVSDZMJES-NSHDSACASA-N 1 0 302.236 3.018 20 5 DGBDRO C[C@H](OCC[N+](C)(C)C)c1cccc(Br)c1F ZINC001224776261 1096282181 /nfs/dbraw/zinc/28/21/81/1096282181.db2.gz UBUUPUFVUMKKBW-JTQLQIEISA-N 1 0 305.211 3.372 20 5 DGBDRO CC(C)(C)[NH+]1CCC(OCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224778759 1096283581 /nfs/dbraw/zinc/28/35/81/1096283581.db2.gz MBAOIOFBZUAMSY-UHFFFAOYSA-N 1 0 322.405 3.253 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC001225382774 1096414603 /nfs/dbraw/zinc/41/46/03/1096414603.db2.gz RTNYJVVWRMHFID-HNNXBMFYSA-N 1 0 316.332 3.387 20 5 DGBDRO CC(=O)c1cc(Br)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001225557190 1096466277 /nfs/dbraw/zinc/46/62/77/1096466277.db2.gz DLNHMVUMFHNNTE-JTQLQIEISA-N 1 0 315.231 3.125 20 5 DGBDRO O=[N+]([O-])c1cccnc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001225592032 1096476273 /nfs/dbraw/zinc/47/62/73/1096476273.db2.gz CGDFMZXIKKHGLR-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001225601039 1096479388 /nfs/dbraw/zinc/47/93/88/1096479388.db2.gz MBDPVVAQQHGDHP-GFCCVEGCSA-N 1 0 323.349 3.063 20 5 DGBDRO Cc1cc(O[C@@H](CC[NH+](C)C)c2cccs2)ncc1[N+](=O)[O-] ZINC001225664249 1096498104 /nfs/dbraw/zinc/49/81/04/1096498104.db2.gz ZIPSOIJXZZPMSJ-ZDUSSCGKSA-N 1 0 321.402 3.432 20 5 DGBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1C(F)(F)F ZINC001225776311 1096526535 /nfs/dbraw/zinc/52/65/35/1096526535.db2.gz JDQUADDSXQYZQQ-JTQLQIEISA-N 1 0 304.332 3.382 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])c(OC2CCC([NH+](C)C)CC2)c1 ZINC001225804657 1096534332 /nfs/dbraw/zinc/53/43/32/1096534332.db2.gz XDNIPEIPNRVPOG-UHFFFAOYSA-N 1 0 306.362 3.049 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001225805189 1096534576 /nfs/dbraw/zinc/53/45/76/1096534576.db2.gz HGRZOTZKEYUWEK-AWEZNQCLSA-N 1 0 306.362 3.049 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001225919372 1096564502 /nfs/dbraw/zinc/56/45/02/1096564502.db2.gz SPZFPXOUMLGUSQ-SECBINFHSA-N 1 0 307.292 3.087 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225918975 1096564714 /nfs/dbraw/zinc/56/47/14/1096564714.db2.gz NNQNSXXXCLQUAK-SNVBAGLBSA-N 1 0 304.268 3.087 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226304323 1096657101 /nfs/dbraw/zinc/65/71/01/1096657101.db2.gz XZSNCHRZQWHFPQ-NSHDSACASA-N 1 0 318.295 3.475 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1c(O)cccc1[N+](=O)[O-])c1ccccc1 ZINC001226333957 1096663923 /nfs/dbraw/zinc/66/39/23/1096663923.db2.gz PRPZZDIRUMYDFA-INIZCTEOSA-N 1 0 316.357 3.372 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC001226965463 1096830701 /nfs/dbraw/zinc/83/07/01/1096830701.db2.gz ZBIPAIISVKEESQ-JTQLQIEISA-N 1 0 318.295 3.477 20 5 DGBDRO Cc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c([N+](=O)[O-])n1 ZINC001227222747 1096899976 /nfs/dbraw/zinc/89/99/76/1096899976.db2.gz URMUXKBGKLMWQI-WDNDVIMCSA-N 1 0 305.378 3.081 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001227273325 1096910285 /nfs/dbraw/zinc/91/02/85/1096910285.db2.gz XAUGZOQPXMIKLX-QMMMGPOBSA-N 1 0 303.213 3.343 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001227743254 1096980220 /nfs/dbraw/zinc/98/02/20/1096980220.db2.gz JYSUZEUZPKRYHJ-UHFFFAOYSA-N 1 0 318.377 3.113 20 5 DGBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1Br ZINC001227931896 1097015168 /nfs/dbraw/zinc/01/51/68/1097015168.db2.gz HEQFGVRPWLMHLB-JTQLQIEISA-N 1 0 315.231 3.125 20 5 DGBDRO CCCC(=O)Nc1ccc(O[C@@H](C)C[N+](C)(C)C)c(C(C)=O)c1 ZINC001228025247 1097034556 /nfs/dbraw/zinc/03/45/56/1097034556.db2.gz IBKWHZARYYDTTG-ZDUSSCGKSA-O 1 0 321.441 3.101 20 5 DGBDRO COc1ccc(C(=O)CC(C)C)cc1O[C@@H](C)C[N+](C)(C)C ZINC001228144489 1097061641 /nfs/dbraw/zinc/06/16/41/1097061641.db2.gz FPBDPHSPMBCVDT-AWEZNQCLSA-N 1 0 308.442 3.398 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001228151793 1097063548 /nfs/dbraw/zinc/06/35/48/1097063548.db2.gz IENFYMNFTROQQD-QMMMGPOBSA-N 1 0 308.185 3.375 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001228206689 1097073926 /nfs/dbraw/zinc/07/39/26/1097073926.db2.gz YQEULTHPVAJZND-QMMMGPOBSA-N 1 0 308.185 3.375 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3C[NH+]4CCC3CC4)nc2c1 ZINC001228520306 1097134460 /nfs/dbraw/zinc/13/44/60/1097134460.db2.gz ARDNOPULPKZDLW-GOSISDBHSA-N 1 0 305.381 3.256 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001229006345 1097235543 /nfs/dbraw/zinc/23/55/43/1097235543.db2.gz XPNRZJMVUOHFGD-NHAGDIPZSA-N 1 0 313.357 3.147 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2ncc(Br)cc21 ZINC001229022061 1097239395 /nfs/dbraw/zinc/23/93/95/1097239395.db2.gz NUDGXIIIWQTTFD-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1C ZINC001172899576 1097267528 /nfs/dbraw/zinc/26/75/28/1097267528.db2.gz ARNWGBSEPOGVNN-MRXNPFEDSA-N 1 0 313.401 3.279 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(F)ccn1)CC2 ZINC001172900787 1097268377 /nfs/dbraw/zinc/26/83/77/1097268377.db2.gz FHDJRZFPNJBGKB-HNNXBMFYSA-N 1 0 315.348 3.166 20 5 DGBDRO CO[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172902455 1097268443 /nfs/dbraw/zinc/26/84/43/1097268443.db2.gz YRQRVEJOCQZTGN-JFIYKMOQSA-N 1 0 318.417 3.389 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@]3(CCCO3)C1)CC2 ZINC001172906882 1097269094 /nfs/dbraw/zinc/26/90/94/1097269094.db2.gz ZEKXDYSPXUPKPP-FUHWJXTLSA-N 1 0 316.401 3.097 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccnc(F)c1)CC2 ZINC001172903403 1097269103 /nfs/dbraw/zinc/26/91/03/1097269103.db2.gz QWQTVXFZHRNHMR-OAHLLOKOSA-N 1 0 315.348 3.166 20 5 DGBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229200508 1097275395 /nfs/dbraw/zinc/27/53/95/1097275395.db2.gz HDYXGLYOCMSQKV-DRXBFXEBSA-N 1 0 308.353 3.151 20 5 DGBDRO COC[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)C ZINC001172895611 1097278273 /nfs/dbraw/zinc/27/82/73/1097278273.db2.gz GAVSWYHGQVHNLL-WBVHZDCISA-N 1 0 306.406 3.103 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1nccs1)CC2 ZINC001172896247 1097278453 /nfs/dbraw/zinc/27/84/53/1097278453.db2.gz NMWGEENJQUKDAR-ZDUSSCGKSA-N 1 0 303.387 3.089 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cncs1)CC2 ZINC001172896642 1097278592 /nfs/dbraw/zinc/27/85/92/1097278592.db2.gz QAWYCEUFMDHMRU-CYBMUJFWSA-N 1 0 303.387 3.089 20 5 DGBDRO CC(C)[C@H]1COCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912148 1097292302 /nfs/dbraw/zinc/29/23/02/1097292302.db2.gz IXICHHIQIDZXHI-SJLPKXTDSA-N 1 0 318.417 3.199 20 5 DGBDRO CC[C@@H](C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011040 1097306788 /nfs/dbraw/zinc/30/67/88/1097306788.db2.gz OSHIAVZXFFGJCM-SNVBAGLBSA-N 1 0 313.348 3.230 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2C[C@@H]2C2CC2)c1F ZINC001173186360 1097357540 /nfs/dbraw/zinc/35/75/40/1097357540.db2.gz RLZDCQNPDVZGNN-UFGOTCBOSA-N 1 0 308.353 3.062 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1N(C)C ZINC001173215747 1097367452 /nfs/dbraw/zinc/36/74/52/1097367452.db2.gz ZHCBGTVGUDHHHJ-AWEZNQCLSA-N 1 0 313.401 3.382 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ocnc2c1 ZINC001173217773 1097368316 /nfs/dbraw/zinc/36/83/16/1097368316.db2.gz FUPMQDMUGWYZCI-LBPRGKRZSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)C1CCCCC1 ZINC001173216582 1097368624 /nfs/dbraw/zinc/36/86/24/1097368624.db2.gz CYEZFWYLZLQDEA-SUMWQHHRSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)C1CCCCC1 ZINC001173216575 1097368922 /nfs/dbraw/zinc/36/89/22/1097368922.db2.gz CYEZFWYLZLQDEA-CXAGYDPISA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(F)(F)[C@@H](F)C1 ZINC001173220592 1097372010 /nfs/dbraw/zinc/37/20/10/1097372010.db2.gz BCDVVKNAUKLWMT-GWCFXTLKSA-N 1 0 302.296 3.205 20 5 DGBDRO CCOc1ccnc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173221229 1097372128 /nfs/dbraw/zinc/37/21/28/1097372128.db2.gz LTSPNRJFKRFSSW-ZDUSSCGKSA-N 1 0 315.373 3.109 20 5 DGBDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1F ZINC001173221333 1097372459 /nfs/dbraw/zinc/37/24/59/1097372459.db2.gz LYMYZOFZZWNGKU-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001173223018 1097373291 /nfs/dbraw/zinc/37/32/91/1097373291.db2.gz WJYUYZJAZVRIIZ-FRFSOERESA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001173225742 1097375008 /nfs/dbraw/zinc/37/50/08/1097375008.db2.gz FSLGCJYKQWPJMC-RHSMWYFYSA-N 1 0 311.385 3.410 20 5 DGBDRO COC(C)(C)[C@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227037 1097375853 /nfs/dbraw/zinc/37/58/53/1097375853.db2.gz MFQKQXYWWIJXOI-XJKSGUPXSA-N 1 0 306.406 3.415 20 5 DGBDRO CO[C@H]1CCC[C@@H]2C[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001173229980 1097376049 /nfs/dbraw/zinc/37/60/49/1097376049.db2.gz YGDNZAMGWXAAPJ-WCZJQEMASA-N 1 0 318.417 3.273 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001173227237 1097376318 /nfs/dbraw/zinc/37/63/18/1097376318.db2.gz OUGWOLORIGFELN-RHSMWYFYSA-N 1 0 311.385 3.410 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1Cc2ccc(F)cc2C1 ZINC001173228819 1097376517 /nfs/dbraw/zinc/37/65/17/1097376517.db2.gz KMKSHUAHVKJKCH-YVEFUNNKSA-N 1 0 314.360 3.422 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2c(O)cccc2C1 ZINC001173228999 1097376554 /nfs/dbraw/zinc/37/65/54/1097376554.db2.gz POAQJNKJKXIFSX-CYBMUJFWSA-N 1 0 312.369 3.290 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(n2cccn2)CC1 ZINC001173233448 1097376881 /nfs/dbraw/zinc/37/68/81/1097376881.db2.gz WQFNTDRFBHBNBB-CQSZACIVSA-N 1 0 314.389 3.059 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(n2cccn2)CC1 ZINC001173233445 1097377598 /nfs/dbraw/zinc/37/75/98/1097377598.db2.gz WQFNTDRFBHBNBB-AWEZNQCLSA-N 1 0 314.389 3.059 20 5 DGBDRO CCOc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173214363 1097381893 /nfs/dbraw/zinc/38/18/93/1097381893.db2.gz BCGLGDRXZIYNCI-ZDUSSCGKSA-N 1 0 315.373 3.109 20 5 DGBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(C2CCCCC2)c1 ZINC001230813097 1097596700 /nfs/dbraw/zinc/59/67/00/1097596700.db2.gz YVTKHRWTQKLDEP-QGZVFWFLSA-N 1 0 320.453 3.097 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2cccc(Br)c2o1 ZINC001230842615 1097604675 /nfs/dbraw/zinc/60/46/75/1097604675.db2.gz XJADEDYNIOQKES-VIFPVBQESA-N 1 0 314.203 3.064 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[NH+]3CC4(C3)CCCOC4)nc12 ZINC001232218011 1097970335 /nfs/dbraw/zinc/97/03/35/1097970335.db2.gz CNXOOJQQOYYLOR-UHFFFAOYSA-N 1 0 319.408 3.395 20 5 DGBDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232217871 1097970374 /nfs/dbraw/zinc/97/03/74/1097970374.db2.gz ATLNZUSRBCAQJL-GUYCJALGSA-N 1 0 307.397 3.128 20 5 DGBDRO CN(Cc1ccc2ccc3cccnc3c2n1)C1CC[NH+](C)CC1 ZINC001232219928 1097972194 /nfs/dbraw/zinc/97/21/94/1097972194.db2.gz XTJKPCVQOUNLER-UHFFFAOYSA-N 1 0 320.440 3.309 20 5 DGBDRO C[C@]1(O)CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232223660 1097972599 /nfs/dbraw/zinc/97/25/99/1097972599.db2.gz RQINOABKFWJLEH-IBGZPJMESA-N 1 0 307.397 3.130 20 5 DGBDRO CC[N@H+](CCC(=O)OC)Cc1ccc2ccc3cccnc3c2n1 ZINC001232225439 1097973166 /nfs/dbraw/zinc/97/31/66/1097973166.db2.gz CKHCKBSUDOVWDB-UHFFFAOYSA-N 1 0 323.396 3.168 20 5 DGBDRO CC[C@H]1COCCN1Cc1ccc2ccc3cccnc3c2n1 ZINC001232223951 1097973758 /nfs/dbraw/zinc/97/37/58/1097973758.db2.gz WOZIOWYMFLEUGM-KRWDZBQOSA-N 1 0 307.397 3.394 20 5 DGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001175902440 1098202423 /nfs/dbraw/zinc/20/24/23/1098202423.db2.gz LMJRNLXOFXUXBG-XYOKQWHBSA-N 1 0 307.313 3.258 20 5 DGBDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001176037478 1098240004 /nfs/dbraw/zinc/24/00/04/1098240004.db2.gz WBCLCHPYGARQCT-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO COc1ccc(Nc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC001176363351 1098332728 /nfs/dbraw/zinc/33/27/28/1098332728.db2.gz MTYLSUUJSYSUDS-UHFFFAOYSA-N 1 0 301.346 3.409 20 5 DGBDRO CC(=O)c1cc(OC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001233498824 1098353186 /nfs/dbraw/zinc/35/31/86/1098353186.db2.gz MHXZLSMZJYQZRT-UHFFFAOYSA-N 1 0 320.389 3.439 20 5 DGBDRO CC(=O)c1cc(O[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001233502404 1098354843 /nfs/dbraw/zinc/35/48/43/1098354843.db2.gz PJOSFWQFVXOVOZ-AWEZNQCLSA-N 1 0 306.362 3.049 20 5 DGBDRO Cc1ccnc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001233555530 1098375946 /nfs/dbraw/zinc/37/59/46/1098375946.db2.gz IBXKRGURSLOXDP-WDNDVIMCSA-N 1 0 305.378 3.081 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC001233764431 1098426049 /nfs/dbraw/zinc/42/60/49/1098426049.db2.gz DYIPJCDMRFICAQ-MGCOHNPYSA-N 1 0 300.305 3.125 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Br)c2ccccc2n1 ZINC001233766336 1098426347 /nfs/dbraw/zinc/42/63/47/1098426347.db2.gz PHIMKRSXIKPGCN-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(OC3CC[NH+](C4CC4)CC3)nc21 ZINC001233837159 1098440442 /nfs/dbraw/zinc/44/04/42/1098440442.db2.gz VUVZWHRURSOLLB-UHFFFAOYSA-N 1 0 313.357 3.149 20 5 DGBDRO c1cnc2c(c1)ccc1c(O[C@H]3C[NH+]4CCC3CC4)ccnc12 ZINC001234087244 1098492509 /nfs/dbraw/zinc/49/25/09/1098492509.db2.gz MPZSLDKAFNPMEB-KRWDZBQOSA-N 1 0 305.381 3.256 20 5 DGBDRO CCOc1cc(Br)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234297081 1098530666 /nfs/dbraw/zinc/53/06/66/1098530666.db2.gz HHMFZNDYNIUZCP-LLVKDONJSA-N 1 0 317.247 3.321 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC001178611079 1098887953 /nfs/dbraw/zinc/88/79/53/1098887953.db2.gz VSVXOFANMWTDDH-UHFFFAOYSA-N 1 0 322.368 3.317 20 5 DGBDRO C[C@H](CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[NH+](C)C ZINC001179266609 1099052620 /nfs/dbraw/zinc/05/26/20/1099052620.db2.gz RNMGDTDUYWQQNB-CYBMUJFWSA-N 1 0 317.389 3.285 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC001187648072 1099574809 /nfs/dbraw/zinc/57/48/09/1099574809.db2.gz ZUCCJWWKQUCNHW-UHFFFAOYSA-N 1 0 321.396 3.497 20 5 DGBDRO CCC[C@@]1(COC)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001193871959 1100833217 /nfs/dbraw/zinc/83/32/17/1100833217.db2.gz LYLBJYXRYLONLT-KRWDZBQOSA-N 1 0 322.405 3.255 20 5 DGBDRO CCC[C@H](C)CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001194906502 1101034755 /nfs/dbraw/zinc/03/47/55/1101034755.db2.gz PSQQNEHTGRNKIH-HNNXBMFYSA-N 1 0 320.437 3.328 20 5 DGBDRO CN(CC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001195678750 1101174349 /nfs/dbraw/zinc/17/43/49/1101174349.db2.gz YZHASWBVFISPDP-UHFFFAOYSA-N 1 0 311.813 3.166 20 5 DGBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC001195799832 1101204191 /nfs/dbraw/zinc/20/41/91/1101204191.db2.gz XNAREESZBTUTEJ-CQSZACIVSA-N 1 0 320.389 3.007 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2C[C@H]3CCCC[C@H]32)o1 ZINC001195833979 1101210631 /nfs/dbraw/zinc/21/06/31/1101210631.db2.gz ICTJLLTVWAULLV-DGCLKSJQSA-N 1 0 314.345 3.019 20 5 DGBDRO C[C@@H]1CCCC[C@H]1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196907385 1101431951 /nfs/dbraw/zinc/43/19/51/1101431951.db2.gz MJWPNVGSMABDMG-JKIFEVAISA-N 1 0 306.406 3.218 20 5 DGBDRO C[C@@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC001198071167 1101754104 /nfs/dbraw/zinc/75/41/04/1101754104.db2.gz GHLKQLUMFSWLMO-GOSISDBHSA-N 1 0 312.369 3.425 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001198685186 1101957697 /nfs/dbraw/zinc/95/76/97/1101957697.db2.gz HXKIBZCVUNVVGS-ZBFHGGJFSA-N 1 0 320.389 3.007 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cccc3cnccc32)c1 ZINC001201822604 1102737467 /nfs/dbraw/zinc/73/74/67/1102737467.db2.gz MHOMLWVHZFRVHM-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2CCCC[NH2+]2)n1 ZINC001328041999 1103815693 /nfs/dbraw/zinc/81/56/93/1103815693.db2.gz RMCUSEUCZXFVEQ-GFCCVEGCSA-N 1 0 302.334 3.076 20 5 DGBDRO C[NH2+][C@H](C)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247491817 1104911470 /nfs/dbraw/zinc/91/14/70/1104911470.db2.gz RTANLCVLKBCLEG-SNVBAGLBSA-N 1 0 305.341 3.113 20 5 DGBDRO COc1ccc(Nc2c[nH+]ccc2N2CCCC2)c([N+](=O)[O-])c1 ZINC001248470646 1105117498 /nfs/dbraw/zinc/11/74/98/1105117498.db2.gz SMIOABJKTDXNDC-UHFFFAOYSA-N 1 0 314.345 3.342 20 5 DGBDRO Cc1ccccc1-c1noc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001249278199 1105261301 /nfs/dbraw/zinc/26/13/01/1105261301.db2.gz WKZJGNFBYAMZCW-OAHLLOKOSA-N 1 0 324.340 3.196 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CC4(C3)CCCC4)CC2)cc1 ZINC001254474205 1106077654 /nfs/dbraw/zinc/07/76/54/1106077654.db2.gz NXRKVWDXWZXPIG-UHFFFAOYSA-N 1 0 315.417 3.440 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnccc1Cl ZINC001254531348 1106095857 /nfs/dbraw/zinc/09/58/57/1106095857.db2.gz DUCBGKUGZZIKFE-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO CCOC(CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])OCC ZINC001254533258 1106096329 /nfs/dbraw/zinc/09/63/29/1106096329.db2.gz ZEZCOOAHMPOLBP-CQSZACIVSA-N 1 0 324.421 3.295 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccccc2)COC1 ZINC001254536244 1106097969 /nfs/dbraw/zinc/09/79/69/1106097969.db2.gz AUSAQVSCWYGDTF-CQSZACIVSA-N 1 0 312.369 3.041 20 5 DGBDRO CC(C)c1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC001254539505 1106098788 /nfs/dbraw/zinc/09/87/88/1106098788.db2.gz IHJCBZTVOUTZDT-GFCCVEGCSA-N 1 0 303.362 3.427 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)c1cccc(F)c1 ZINC001254544814 1106099448 /nfs/dbraw/zinc/09/94/48/1106099448.db2.gz KYJZXZKCLFUFQJ-LBPRGKRZSA-N 1 0 316.332 3.137 20 5 DGBDRO CCOC(=O)CC(C)(C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254546097 1106099954 /nfs/dbraw/zinc/09/99/54/1106099954.db2.gz FLVWNGBDGPWQAE-CYBMUJFWSA-N 1 0 322.405 3.095 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@](C)(CO)c1ccccc1 ZINC001254547354 1106100628 /nfs/dbraw/zinc/10/06/28/1106100628.db2.gz HLQVSMPWDZQLRO-KDOFPFPSSA-N 1 0 314.385 3.023 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](CCO)Cc1ccccc1 ZINC001254550080 1106101244 /nfs/dbraw/zinc/10/12/44/1106101244.db2.gz CJQRPYBGELGCDY-OAHLLOKOSA-N 1 0 314.385 3.020 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(O)cccc2C1 ZINC001254551858 1106101636 /nfs/dbraw/zinc/10/16/36/1106101636.db2.gz GKTQYQOIPXEKKD-CYBMUJFWSA-N 1 0 312.369 3.290 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccc(N)cc2)CC1 ZINC001254550776 1106101858 /nfs/dbraw/zinc/10/18/58/1106101858.db2.gz QSXUHLDOPHRGPL-CYBMUJFWSA-N 1 0 311.385 3.387 20 5 DGBDRO COCC[C@@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254561681 1106104441 /nfs/dbraw/zinc/10/44/41/1106104441.db2.gz IERXFWJSDHGIPK-HOCLYGCPSA-N 1 0 306.406 3.417 20 5 DGBDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254565349 1106104791 /nfs/dbraw/zinc/10/47/91/1106104791.db2.gz OLLDQJWHAIZOKC-NTQSIJHJSA-N 1 0 304.390 3.168 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1c(F)cccc1F)C2 ZINC001254566088 1106105402 /nfs/dbraw/zinc/10/54/02/1106105402.db2.gz HNNHYDUZABBMCP-GFCCVEGCSA-N 1 0 304.296 3.130 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCSCc1ccco1)C2 ZINC001254571948 1106106100 /nfs/dbraw/zinc/10/61/00/1106106100.db2.gz DXXOZLRFHBJLJX-AWEZNQCLSA-N 1 0 318.398 3.178 20 5 DGBDRO Cc1cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)ccc1F ZINC001254572203 1106106672 /nfs/dbraw/zinc/10/66/72/1106106672.db2.gz JPYVLMUWPHVGIM-HNNXBMFYSA-N 1 0 300.333 3.299 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCc3ncccc31)C2 ZINC001254574712 1106106880 /nfs/dbraw/zinc/10/68/80/1106106880.db2.gz KJWKODQBFOFUHJ-KSSFIOAISA-N 1 0 309.369 3.124 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCc1ccccc1F)C2 ZINC001254575419 1106106948 /nfs/dbraw/zinc/10/69/48/1106106948.db2.gz QPHBPRJBIOJTSS-INIZCTEOSA-N 1 0 314.360 3.424 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(F)c1F)C2 ZINC001254574469 1106107025 /nfs/dbraw/zinc/10/70/25/1106107025.db2.gz HOURUEKCZQIEHF-CYBMUJFWSA-N 1 0 304.296 3.130 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CCC(F)(F)CC1)C2 ZINC001254580471 1106108435 /nfs/dbraw/zinc/10/84/35/1106108435.db2.gz DAJZSWLWVBEIIV-AWEZNQCLSA-N 1 0 310.344 3.477 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(Cc3ccccn3)CCC1)C2 ZINC001254588244 1106109154 /nfs/dbraw/zinc/10/91/54/1106109154.db2.gz WWKKSNMXDHLHOW-KRWDZBQOSA-N 1 0 323.396 3.212 20 5 DGBDRO COc1ccccc1C1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587823 1106109278 /nfs/dbraw/zinc/10/92/78/1106109278.db2.gz ZPAHPOMTUWMNTK-HNNXBMFYSA-N 1 0 324.380 3.350 20 5 DGBDRO Cc1cccnc1C1(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587976 1106109290 /nfs/dbraw/zinc/10/92/90/1106109290.db2.gz TYJKGMHNKZEBDM-INIZCTEOSA-N 1 0 323.396 3.087 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@@H]3CC(F)(F)C[C@@H]3C1)C2 ZINC001254593967 1106109748 /nfs/dbraw/zinc/10/97/48/1106109748.db2.gz OLIZCBKGDXXTHZ-GUTXKFCHSA-N 1 0 308.328 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H]1c1ccccn1)C2 ZINC001254599005 1106110593 /nfs/dbraw/zinc/11/05/93/1106110593.db2.gz JEZMVANPPSKJPB-AEFFLSMTSA-N 1 0 309.369 3.294 20 5 DGBDRO COc1ccccc1C[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600461 1106110773 /nfs/dbraw/zinc/11/07/73/1106110773.db2.gz PXVUANPWONINKF-QGZVFWFLSA-N 1 0 312.369 3.203 20 5 DGBDRO C[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596713 1106110837 /nfs/dbraw/zinc/11/08/37/1106110837.db2.gz FLTRJKCXOOHOSM-NHYWBVRUSA-N 1 0 310.344 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(c3ccncc3)CC1)C2 ZINC001254598613 1106110925 /nfs/dbraw/zinc/11/09/25/1106110925.db2.gz IMUGJQXJFUILCM-IBGZPJMESA-N 1 0 323.396 3.337 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001254600936 1106111601 /nfs/dbraw/zinc/11/16/01/1106111601.db2.gz SLYKOYBLSGMRIW-TZMCWYRMSA-N 1 0 314.307 3.336 20 5 DGBDRO C[N@H+](Cc1cccc(F)c1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600666 1106111654 /nfs/dbraw/zinc/11/16/54/1106111654.db2.gz UTGSOXJUZPYRIL-QGZVFWFLSA-N 1 0 300.333 3.333 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(c3cccnc3)CC1)C2 ZINC001254609602 1106112445 /nfs/dbraw/zinc/11/24/45/1106112445.db2.gz YCCSSSNJBAXENF-IBGZPJMESA-N 1 0 323.396 3.337 20 5 DGBDRO CC[C@@H](C)[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256097207 1106369081 /nfs/dbraw/zinc/36/90/81/1106369081.db2.gz XERMWJMFCUWXQM-CYBMUJFWSA-N 1 0 321.421 3.303 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001321795994 1107435614 /nfs/dbraw/zinc/43/56/14/1107435614.db2.gz GZSJTHFZMCGJMH-HUUCEWRRSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC001262058088 1107599071 /nfs/dbraw/zinc/59/90/71/1107599071.db2.gz NHMLXXBAKGNYTA-QWHCGFSZSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001322417672 1107668389 /nfs/dbraw/zinc/66/83/89/1107668389.db2.gz ZRRNQPTWPQDXIF-KFWWJZLASA-N 1 0 318.421 3.140 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC001262573555 1107727109 /nfs/dbraw/zinc/72/71/09/1107727109.db2.gz XWLPUIXMQFNPEA-BONVTDFDSA-N 1 0 321.764 3.027 20 5 DGBDRO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C ZINC001324438627 1108288295 /nfs/dbraw/zinc/28/82/95/1108288295.db2.gz QENYTHXWQMIDBE-UHFFFAOYSA-N 1 0 304.350 3.265 20 5 DGBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC001319831895 1108655817 /nfs/dbraw/zinc/65/58/17/1108655817.db2.gz NRJHVOMQSNQKAQ-BUUCAEBMSA-N 1 0 320.389 3.318 20 5 DGBDRO C[N@@H+]1CC[C@H]1CNC(=O)c1c2ccccc2cc2ccccc21 ZINC001289119974 1110205694 /nfs/dbraw/zinc/20/56/94/1110205694.db2.gz TVMHEXJDVDSAST-INIZCTEOSA-N 1 0 304.393 3.427 20 5 DGBDRO Cc1ccc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001307197422 1111278228 /nfs/dbraw/zinc/27/82/28/1111278228.db2.gz WLWPNRAKJIJITH-AWEZNQCLSA-N 1 0 312.373 3.013 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001307563497 1111314131 /nfs/dbraw/zinc/31/41/31/1111314131.db2.gz NLHNPTPWAVWLBI-KGLIPLIRSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC1(CC)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001308050070 1111371606 /nfs/dbraw/zinc/37/16/06/1111371606.db2.gz JASKPMFXDMBNRK-UHFFFAOYSA-N 1 0 305.378 3.188 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001308115322 1111380214 /nfs/dbraw/zinc/38/02/14/1111380214.db2.gz UUUSVFMISUMZLB-UONOGXRCSA-N 1 0 312.373 3.244 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H]2CCOc3ccccc32)c1 ZINC001308357041 1111420955 /nfs/dbraw/zinc/42/09/55/1111420955.db2.gz LVLBMRCHTBHFGI-HNNXBMFYSA-N 1 0 312.369 3.293 20 5 DGBDRO COC[C@H]1CCCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001308664859 1111457514 /nfs/dbraw/zinc/45/75/14/1111457514.db2.gz BFOBSJASZPXUHU-HNNXBMFYSA-N 1 0 306.406 3.460 20 5 DGBDRO [NH3+]CCN(Cc1cccc(C2CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001308741384 1111468201 /nfs/dbraw/zinc/46/82/01/1111468201.db2.gz SEZRLGXHOGKNJJ-UHFFFAOYSA-N 1 0 311.385 3.438 20 5 DGBDRO CC[C@H](CO)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000294677615 529382247 /nfs/dbraw/zinc/38/22/47/529382247.db2.gz AYXBYHLDZFFSMG-CYBMUJFWSA-N 1 0 304.346 3.058 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000315597200 231141498 /nfs/dbraw/zinc/14/14/98/231141498.db2.gz HEZPXYUEOZGHTJ-DANNLKNASA-N 1 0 304.390 3.449 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000322187709 231208429 /nfs/dbraw/zinc/20/84/29/231208429.db2.gz ISEQKXBMZZDLHW-HNNXBMFYSA-N 1 0 312.369 3.293 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCSC2)cc(C(F)(F)F)c1 ZINC000278820524 214422380 /nfs/dbraw/zinc/42/23/80/214422380.db2.gz UABXEKJONPRBGO-SECBINFHSA-N 1 0 320.336 3.456 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000063302502 432004725 /nfs/dbraw/zinc/00/47/25/432004725.db2.gz JOFGSGZPHBALDH-GFCCVEGCSA-N 1 0 316.361 3.267 20 5 DGBDRO CC(C)[N@H+](C)CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834498 185232735 /nfs/dbraw/zinc/23/27/35/185232735.db2.gz PSCIVQOGGRABOP-UHFFFAOYSA-N 1 0 316.199 3.109 20 5 DGBDRO Cc1cc(NCCCn2cccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272790471 210193600 /nfs/dbraw/zinc/19/36/00/210193600.db2.gz CARQXXJHQBHPDA-UHFFFAOYSA-N 1 0 311.345 3.150 20 5 DGBDRO C[N@H+](CCCCNc1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000413348061 529884302 /nfs/dbraw/zinc/88/43/02/529884302.db2.gz MZZXJRXUWWCGPJ-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[N@H+](CCSc1ccc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000185696847 529929177 /nfs/dbraw/zinc/92/91/77/529929177.db2.gz MAALSXYOAZWXNG-UHFFFAOYSA-N 1 0 321.377 3.353 20 5 DGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C1=CC[N@H+](C)CC1 ZINC000272749458 210153586 /nfs/dbraw/zinc/15/35/86/210153586.db2.gz DUQLUXRKQHHKED-GFCCVEGCSA-N 1 0 312.373 3.205 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000413448777 530061028 /nfs/dbraw/zinc/06/10/28/530061028.db2.gz WVOWCWYDRWSXGG-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000181976188 199369812 /nfs/dbraw/zinc/36/98/12/199369812.db2.gz PXHWHWBGJBVKTL-BMIGLBTASA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279818876 215173063 /nfs/dbraw/zinc/17/30/63/215173063.db2.gz QIZAQWPDDDJZOW-AAEUAGOBSA-N 1 0 312.797 3.374 20 5 DGBDRO CS[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000331302312 233003279 /nfs/dbraw/zinc/00/32/79/233003279.db2.gz FDRIPGXZOKVHIO-AWEZNQCLSA-N 1 0 310.419 3.319 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173356294 186180230 /nfs/dbraw/zinc/18/02/30/186180230.db2.gz YQVDXPDPHDHBAR-BZNIZROVSA-N 1 0 304.321 3.118 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]1CCO ZINC000187998241 186241590 /nfs/dbraw/zinc/24/15/90/186241590.db2.gz SZWOHWWKVIVJMQ-LZWOXQAQSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]1CCO ZINC000187998265 186241722 /nfs/dbraw/zinc/24/17/22/186241722.db2.gz SZWOHWWKVIVJMQ-FMKPAKJESA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@]1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000130478168 432025535 /nfs/dbraw/zinc/02/55/35/432025535.db2.gz ZFEXSKLORHCKMQ-UWWQBHOKSA-N 1 0 318.417 3.465 20 5 DGBDRO COC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130506980 432026774 /nfs/dbraw/zinc/02/67/74/432026774.db2.gz MQLSHQZLDRBRSO-UKRRQHHQSA-N 1 0 306.406 3.321 20 5 DGBDRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171950494 198013428 /nfs/dbraw/zinc/01/34/28/198013428.db2.gz WHUJDDZLDQGOEA-JTQLQIEISA-N 1 0 313.785 3.165 20 5 DGBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173431599 198214363 /nfs/dbraw/zinc/21/43/63/198214363.db2.gz MLZXPEIUOIJISQ-MNOVXSKESA-N 1 0 303.362 3.481 20 5 DGBDRO C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173458989 198216930 /nfs/dbraw/zinc/21/69/30/198216930.db2.gz JYCDVPGFTDVKGQ-GFCCVEGCSA-N 1 0 308.378 3.367 20 5 DGBDRO CC(C)[NH2+]C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174845496 198392737 /nfs/dbraw/zinc/39/27/37/198392737.db2.gz QXZATRBCVDKPHX-UHFFFAOYSA-N 1 0 311.813 3.211 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000003566801 181036099 /nfs/dbraw/zinc/03/60/99/181036099.db2.gz RLFKZATYTWNHBG-CYBMUJFWSA-N 1 0 313.357 3.193 20 5 DGBDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000236777465 202004169 /nfs/dbraw/zinc/00/41/69/202004169.db2.gz WKNRWZRUYXORMH-HNNXBMFYSA-N 1 0 320.414 3.430 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCCNc2ccccn2)cc1[N+](=O)[O-] ZINC000163814668 432043185 /nfs/dbraw/zinc/04/31/85/432043185.db2.gz AOMDBPGDSWIUPT-AWEZNQCLSA-N 1 0 314.389 3.451 20 5 DGBDRO O=C(NCCC[NH2+]C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000073571496 191327765 /nfs/dbraw/zinc/32/77/65/191327765.db2.gz ZIROMTYPUGAIED-UHFFFAOYSA-N 1 0 320.393 3.029 20 5 DGBDRO CC(C)([NH2+]CCCCCn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000292268852 222951478 /nfs/dbraw/zinc/95/14/78/222951478.db2.gz ZJTBOGDJQPXRKT-UHFFFAOYSA-N 1 0 316.405 3.487 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CSCCS2)cccc1[N+](=O)[O-] ZINC000165752231 432056900 /nfs/dbraw/zinc/05/69/00/432056900.db2.gz QRJXSNGDJNECAY-VXGBXAGGSA-N 1 0 312.460 3.402 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000166280420 432059806 /nfs/dbraw/zinc/05/98/06/432059806.db2.gz XMLWLPXJWVTFPM-IHRRRGAJSA-N 1 0 303.406 3.179 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000237192310 202182012 /nfs/dbraw/zinc/18/20/12/202182012.db2.gz YZWMUTAZXDAFDV-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO C[C@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCO1 ZINC000167024167 432063684 /nfs/dbraw/zinc/06/36/84/432063684.db2.gz NFAUVCKHHUTLTC-DOTOQJQBSA-N 1 0 304.390 3.075 20 5 DGBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276838609 213124987 /nfs/dbraw/zinc/12/49/87/213124987.db2.gz BYYRYDKQJIQETE-OAHLLOKOSA-N 1 0 322.405 3.242 20 5 DGBDRO CC(C)=CCC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000479301296 535358364 /nfs/dbraw/zinc/35/83/64/535358364.db2.gz PSLFDVFFJHGZJV-CYBMUJFWSA-N 1 0 305.378 3.258 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000451473166 535408790 /nfs/dbraw/zinc/40/87/90/535408790.db2.gz MZNGTJBERLXXMJ-HUUCEWRRSA-N 1 0 308.353 3.171 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](Cc1ccccn1)C1CC1 ZINC000180872628 199222394 /nfs/dbraw/zinc/22/23/94/199222394.db2.gz LTTFUFPFGVCZOI-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO CS[C@@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000134600556 432080716 /nfs/dbraw/zinc/08/07/16/432080716.db2.gz SOPLHCFSEUDGQT-GFCCVEGCSA-N 1 0 321.402 3.454 20 5 DGBDRO CS[C@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000134600575 432081362 /nfs/dbraw/zinc/08/13/62/432081362.db2.gz SOPLHCFSEUDGQT-LBPRGKRZSA-N 1 0 321.402 3.454 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H](C)C1 ZINC000187981702 200185854 /nfs/dbraw/zinc/18/58/54/200185854.db2.gz NYENOTZJLGEYBF-ZDUSSCGKSA-N 1 0 319.405 3.354 20 5 DGBDRO C[C@H](CCCO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417354644 237612440 /nfs/dbraw/zinc/61/24/40/237612440.db2.gz ZWDGFGRXHWVMFO-CXAGYDPISA-N 1 0 306.406 3.361 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000420294268 237694401 /nfs/dbraw/zinc/69/44/01/237694401.db2.gz YTDWZSDOKGWNMB-RYUDHWBXSA-N 1 0 300.362 3.072 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCSCC1)C1CC1 ZINC000180508815 432088051 /nfs/dbraw/zinc/08/80/51/432088051.db2.gz DCKPQRVYBSYTDO-HNNXBMFYSA-N 1 0 306.431 3.401 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1ccccc1F ZINC000430216766 238071502 /nfs/dbraw/zinc/07/15/02/238071502.db2.gz HQNVOWOTTLDGGW-UHFFFAOYSA-N 1 0 304.321 3.375 20 5 DGBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429568704 238055196 /nfs/dbraw/zinc/05/51/96/238055196.db2.gz OWKPTSUTFMEHRX-WCQYABFASA-N 1 0 316.361 3.265 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(NC[C@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000433819932 238169557 /nfs/dbraw/zinc/16/95/57/238169557.db2.gz LFESKZOZNVFFGE-LLVKDONJSA-N 1 0 311.332 3.302 20 5 DGBDRO COc1ccc(OCC[N@H+](CC(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000434625573 238221113 /nfs/dbraw/zinc/22/11/13/238221113.db2.gz VDQLYYJDKOLFTR-UHFFFAOYSA-N 1 0 310.394 3.349 20 5 DGBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[N@@H+]2C2CC2)c(Cl)c1 ZINC000434797632 238246874 /nfs/dbraw/zinc/24/68/74/238246874.db2.gz ZMUVLCFWYOWKJC-OAHLLOKOSA-N 1 0 323.824 3.355 20 5 DGBDRO CSC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000193664106 201098012 /nfs/dbraw/zinc/09/80/12/201098012.db2.gz YAYBXPHIJOEMNP-UHFFFAOYSA-N 1 0 318.345 3.181 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CCC=CO3)CC2)cc1 ZINC000194002748 201161340 /nfs/dbraw/zinc/16/13/40/201161340.db2.gz VDXVKLVIWVBNSK-QGZVFWFLSA-N 1 0 318.373 3.131 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000441451910 239055782 /nfs/dbraw/zinc/05/57/82/239055782.db2.gz OJXSABLYARKABQ-DZGCQCFKSA-N 1 0 320.389 3.247 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCCC[C@@H]12 ZINC000444684373 239324482 /nfs/dbraw/zinc/32/44/82/239324482.db2.gz MDGLHYFJBKFJFG-FFSVYQOJSA-N 1 0 314.389 3.482 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C(C)C)C1 ZINC000444772595 239348768 /nfs/dbraw/zinc/34/87/68/239348768.db2.gz WFLWOPIMAUENMI-CQSZACIVSA-N 1 0 319.405 3.210 20 5 DGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000135167892 432102426 /nfs/dbraw/zinc/10/24/26/432102426.db2.gz IFOQEMUTKKRIDX-GFCCVEGCSA-N 1 0 315.329 3.396 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn2ccsc2n1 ZINC000449100594 240017738 /nfs/dbraw/zinc/01/77/38/240017738.db2.gz CFZFCKAAEZZUAF-LLVKDONJSA-N 1 0 316.386 3.025 20 5 DGBDRO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449205654 240067960 /nfs/dbraw/zinc/06/79/60/240067960.db2.gz OIGQZLLOJKHHQH-RYUDHWBXSA-N 1 0 317.393 3.118 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nccs1 ZINC000449221885 240075484 /nfs/dbraw/zinc/07/54/84/240075484.db2.gz HMDXGWHNONSSTB-GFCCVEGCSA-N 1 0 305.403 3.205 20 5 DGBDRO COCC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000449229532 240079524 /nfs/dbraw/zinc/07/95/24/240079524.db2.gz BUQNPRDHSXFVKR-DZGCQCFKSA-N 1 0 318.373 3.486 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000449309288 240123130 /nfs/dbraw/zinc/12/31/30/240123130.db2.gz CVPPLANMEUICOS-NWDGAFQWSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H]1CCCCO1 ZINC000449243342 240088374 /nfs/dbraw/zinc/08/83/74/240088374.db2.gz KEASJFWZSCHODF-GOEBONIOSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449407081 240182301 /nfs/dbraw/zinc/18/23/01/240182301.db2.gz FIBMTMXDYMIFND-BFYDXBDKSA-N 1 0 320.433 3.304 20 5 DGBDRO Cc1ncc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449494914 240246842 /nfs/dbraw/zinc/24/68/42/240246842.db2.gz BOYZVMDQOWWNIY-MRXNPFEDSA-N 1 0 312.373 3.073 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000449474006 240229512 /nfs/dbraw/zinc/22/95/12/240229512.db2.gz RHDOMGQRRTZGBH-HYYRGUEZSA-N 1 0 316.401 3.233 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cs1 ZINC000449542640 240277082 /nfs/dbraw/zinc/27/70/82/240277082.db2.gz QVCZXUYZFJGWNC-KGLIPLIRSA-N 1 0 319.386 3.061 20 5 DGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449552941 240282202 /nfs/dbraw/zinc/28/22/02/240282202.db2.gz KZEUSDAQAJFIFG-XEZPLFJOSA-N 1 0 319.405 3.194 20 5 DGBDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449566061 240293033 /nfs/dbraw/zinc/29/30/33/240293033.db2.gz MUSZVXYBVJRCQP-QWHCGFSZSA-N 1 0 302.378 3.093 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449568358 240293263 /nfs/dbraw/zinc/29/32/63/240293263.db2.gz BAQASDBJJYRTPR-IPYPFGDCSA-N 1 0 314.389 3.408 20 5 DGBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449641203 240339451 /nfs/dbraw/zinc/33/94/51/240339451.db2.gz UPTGUHCGMFMQKS-JKSUJKDBSA-N 1 0 318.373 3.494 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(C)(C)O ZINC000449717219 240380193 /nfs/dbraw/zinc/38/01/93/240380193.db2.gz DPXJUPYCLGOZKL-ZDUSSCGKSA-N 1 0 308.422 3.303 20 5 DGBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000449728616 240383854 /nfs/dbraw/zinc/38/38/54/240383854.db2.gz WJLNHEYUUWJMLS-ZFWWWQNUSA-N 1 0 319.408 3.245 20 5 DGBDRO CCc1cc(CCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000451106760 241006792 /nfs/dbraw/zinc/00/67/92/241006792.db2.gz ZETVRDRGODMZRB-LBPRGKRZSA-N 1 0 303.362 3.429 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451495610 241144085 /nfs/dbraw/zinc/14/40/85/241144085.db2.gz JRUSBQZBPHVGTM-NWANDNLSSA-N 1 0 322.792 3.295 20 5 DGBDRO CCOC(=O)CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552621 241170301 /nfs/dbraw/zinc/17/03/01/241170301.db2.gz WTDDHNOUOZXNFK-OAHLLOKOSA-N 1 0 320.389 3.118 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCc3cccnc3)C2)cc1 ZINC000451553248 241171174 /nfs/dbraw/zinc/17/11/74/241171174.db2.gz XYONHXCQRGQUGV-KRWDZBQOSA-N 1 0 311.385 3.412 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000451594271 241183904 /nfs/dbraw/zinc/18/39/04/241183904.db2.gz DHVQKGZSSOLMCK-WBVHZDCISA-N 1 0 308.422 3.282 20 5 DGBDRO C[C@H]([NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000451606561 241185769 /nfs/dbraw/zinc/18/57/69/241185769.db2.gz LYPGMUOMHISPGK-KCTSRDHCSA-N 1 0 304.390 3.043 20 5 DGBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000451605897 241186619 /nfs/dbraw/zinc/18/66/19/241186619.db2.gz HERGFTRLZQWDSF-CZUORRHYSA-N 1 0 312.385 3.113 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC12CCCC2 ZINC000451451897 241129359 /nfs/dbraw/zinc/12/93/59/241129359.db2.gz BSDIQZFFEIUBHV-OAHLLOKOSA-N 1 0 317.389 3.154 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC12CCCC2 ZINC000451464607 241131792 /nfs/dbraw/zinc/13/17/92/241131792.db2.gz ZBHCMAHNWOLZJK-HNNXBMFYSA-N 1 0 317.389 3.154 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451706206 241213606 /nfs/dbraw/zinc/21/36/06/241213606.db2.gz LTWYLHWPNWBKCR-JMSVASOKSA-N 1 0 324.808 3.231 20 5 DGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000452015344 241300224 /nfs/dbraw/zinc/30/02/24/241300224.db2.gz VAEFYGVWNIOZTF-NSHDSACASA-N 1 0 316.361 3.408 20 5 DGBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC000452071125 241310658 /nfs/dbraw/zinc/31/06/58/241310658.db2.gz QNPUFEQZALMXTC-RDBSUJKOSA-N 1 0 319.405 3.338 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1=Cc3ccccc3OC1)CC2 ZINC000093338320 284011057 /nfs/dbraw/zinc/01/10/57/284011057.db2.gz LPUMHYTWIWTLSP-UHFFFAOYSA-N 1 0 322.364 3.429 20 5 DGBDRO CCC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCC1 ZINC000459801318 243506246 /nfs/dbraw/zinc/50/62/46/243506246.db2.gz LBUBYZUBAHTPET-HNNXBMFYSA-N 1 0 319.405 3.400 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[C@@H]1C ZINC000467433181 243991479 /nfs/dbraw/zinc/99/14/79/243991479.db2.gz PBJWUAOQCSBAGV-BFHYXJOUSA-N 1 0 319.405 3.338 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC1CC1 ZINC000114724138 284110725 /nfs/dbraw/zinc/11/07/25/284110725.db2.gz FWRFSHYWIGNDDL-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000469807325 244125502 /nfs/dbraw/zinc/12/55/02/244125502.db2.gz HKGLEZLTXUNDSU-STQMWFEESA-N 1 0 319.405 3.480 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000470180082 244156653 /nfs/dbraw/zinc/15/66/53/244156653.db2.gz HSSCUVDDSAZDOK-NQKFPNJCSA-N 1 0 315.417 3.167 20 5 DGBDRO CCOC(=O)C[C@H](C)[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470206583 244159879 /nfs/dbraw/zinc/15/98/79/244159879.db2.gz RZPFNOPOHJTVTQ-SSUFTNFISA-N 1 0 320.389 3.272 20 5 DGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000471562097 244220540 /nfs/dbraw/zinc/22/05/40/244220540.db2.gz FJVBQBPYCYBDKZ-LLVKDONJSA-N 1 0 311.813 3.415 20 5 DGBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065228 212102563 /nfs/dbraw/zinc/10/25/63/212102563.db2.gz JMIQSDMJZUBISM-ABAIWWIYSA-N 1 0 311.813 3.020 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000093213991 193217522 /nfs/dbraw/zinc/21/75/22/193217522.db2.gz JWMRNFYNZFJGFM-IUCAKERBSA-N 1 0 314.183 3.039 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000093455272 193254426 /nfs/dbraw/zinc/25/44/26/193254426.db2.gz ARQCFXORQINSLT-MTCRFPMVSA-N 1 0 324.380 3.200 20 5 DGBDRO Cc1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000093683525 193288769 /nfs/dbraw/zinc/28/87/69/193288769.db2.gz FROMDKMTYXEZSO-QGZVFWFLSA-N 1 0 317.433 3.211 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093741999 193297893 /nfs/dbraw/zinc/29/78/93/193297893.db2.gz VKMRFIZLRIGSPS-BVBGJJFLSA-N 1 0 317.433 3.272 20 5 DGBDRO CC[C@H](Cc1ccccc1)[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000120542834 284172116 /nfs/dbraw/zinc/17/21/16/284172116.db2.gz YIOYUBQWMIQHJL-MRXNPFEDSA-N 1 0 316.405 3.135 20 5 DGBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000487529071 245069120 /nfs/dbraw/zinc/06/91/20/245069120.db2.gz WJFKTIDYEPLWAY-BETUJISGSA-N 1 0 315.373 3.037 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCC[C@@H]1C ZINC000487965846 245131351 /nfs/dbraw/zinc/13/13/51/245131351.db2.gz UUMXQBFEFUQSLB-DZGCQCFKSA-N 1 0 322.405 3.240 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCC[C@H]1C ZINC000487965848 245131874 /nfs/dbraw/zinc/13/18/74/245131874.db2.gz UUMXQBFEFUQSLB-UKRRQHHQSA-N 1 0 322.405 3.240 20 5 DGBDRO C[C@@H](NCCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000125885120 284287169 /nfs/dbraw/zinc/28/71/69/284287169.db2.gz OMRFONMHTOWGRB-OAHLLOKOSA-N 1 0 305.422 3.367 20 5 DGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000271700053 209137227 /nfs/dbraw/zinc/13/72/27/209137227.db2.gz LITIFAGNMNBRBA-ZDUSSCGKSA-N 1 0 324.384 3.375 20 5 DGBDRO C[C@H](CCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000266168093 205153765 /nfs/dbraw/zinc/15/37/65/205153765.db2.gz PYKWGCCTWBNSIF-GFCCVEGCSA-N 1 0 320.414 3.431 20 5 DGBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266189824 205171205 /nfs/dbraw/zinc/17/12/05/205171205.db2.gz YCCGVHCPZRMKHN-UHFFFAOYSA-N 1 0 315.320 3.092 20 5 DGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000267005817 205740238 /nfs/dbraw/zinc/74/02/38/205740238.db2.gz GSKREIYXHQPIQX-UHFFFAOYSA-N 1 0 304.394 3.199 20 5 DGBDRO CN(C)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000021034228 182262331 /nfs/dbraw/zinc/26/23/31/182262331.db2.gz XWZRXGSQMSRWGR-AWEZNQCLSA-N 1 0 305.403 3.049 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cncc(F)c1 ZINC000494447465 246147520 /nfs/dbraw/zinc/14/75/20/246147520.db2.gz ZPTAQRIUUIJCSJ-UHFFFAOYSA-N 1 0 309.728 3.115 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267456775 206080659 /nfs/dbraw/zinc/08/06/59/206080659.db2.gz TYWFMBZIYUEVTJ-NSHDSACASA-N 1 0 320.780 3.351 20 5 DGBDRO CCc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000022806439 182336385 /nfs/dbraw/zinc/33/63/85/182336385.db2.gz GCFDFULONHSUHH-MRXNPFEDSA-N 1 0 314.389 3.267 20 5 DGBDRO COC[C@H](CC(C)C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495412170 246267273 /nfs/dbraw/zinc/26/72/73/246267273.db2.gz AHINLQBDKDCWIF-AWEZNQCLSA-N 1 0 314.813 3.441 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000495431476 246268022 /nfs/dbraw/zinc/26/80/22/246268022.db2.gz CSKITQLMMFQJRV-NSHDSACASA-N 1 0 312.797 3.195 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000246480097 432135960 /nfs/dbraw/zinc/13/59/60/432135960.db2.gz ACFXWADBRUOYOQ-RYUDHWBXSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000181577811 432137018 /nfs/dbraw/zinc/13/70/18/432137018.db2.gz ZQJWOOWATBYRDF-ZDUSSCGKSA-N 1 0 316.357 3.420 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000268817928 432140222 /nfs/dbraw/zinc/14/02/22/432140222.db2.gz WJRZRGYMEAPHIA-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000043596792 183375354 /nfs/dbraw/zinc/37/53/54/183375354.db2.gz IEUSPCMAXRXFMY-VIFPVBQESA-N 1 0 316.199 3.109 20 5 DGBDRO C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284946839 218245275 /nfs/dbraw/zinc/24/52/75/218245275.db2.gz FALCTHQPUQPVHK-GXTWGEPZSA-N 1 0 307.394 3.177 20 5 DGBDRO C[C@H](c1cccc(O)c1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000109784874 194284363 /nfs/dbraw/zinc/28/43/63/194284363.db2.gz MEKPGJTZZJGVEK-CYBMUJFWSA-N 1 0 316.357 3.372 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000110798273 194359987 /nfs/dbraw/zinc/35/99/87/194359987.db2.gz KDGCDDMCMBLWHL-SECBINFHSA-N 1 0 303.284 3.025 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000268928879 207095469 /nfs/dbraw/zinc/09/54/69/207095469.db2.gz QMFFRETUJVDMDC-XJKSGUPXSA-N 1 0 300.358 3.287 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268984752 207143143 /nfs/dbraw/zinc/14/31/43/207143143.db2.gz SKFFEKGLZSTKJZ-AWEZNQCLSA-N 1 0 320.389 3.185 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000269001308 207155805 /nfs/dbraw/zinc/15/58/05/207155805.db2.gz PGRFHKPUGPYLRO-DOMZBBRYSA-N 1 0 304.346 3.189 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000269001311 207155928 /nfs/dbraw/zinc/15/59/28/207155928.db2.gz PGRFHKPUGPYLRO-WFASDCNBSA-N 1 0 304.346 3.189 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC2(CCO)CCCC2)cc1[N+](=O)[O-] ZINC000269003562 207158396 /nfs/dbraw/zinc/15/83/96/207158396.db2.gz VKWLROUBHYWEMR-AWEZNQCLSA-N 1 0 306.406 3.497 20 5 DGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000062010284 184201214 /nfs/dbraw/zinc/20/12/14/184201214.db2.gz HCOHQUJIMCYDTA-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCCCCC2)c(Cl)c1 ZINC000087089345 252603119 /nfs/dbraw/zinc/60/31/19/252603119.db2.gz TYIGNSHGKIXDEJ-UHFFFAOYSA-N 1 0 312.797 3.423 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000162008573 252645909 /nfs/dbraw/zinc/64/59/09/252645909.db2.gz YLXHBAFPWCTCFI-JONQDZQNSA-N 1 0 304.390 3.449 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC=CO2)cc(C(F)(F)F)c1 ZINC000278401790 207687340 /nfs/dbraw/zinc/68/73/40/207687340.db2.gz BQJAEPPQSNATBS-ZDUSSCGKSA-N 1 0 316.279 3.396 20 5 DGBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000183046080 252746619 /nfs/dbraw/zinc/74/66/19/252746619.db2.gz LJTZMPNPVFKYIA-DGCLKSJQSA-N 1 0 307.394 3.256 20 5 DGBDRO CC[NH+](CC)C[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269676471 207750285 /nfs/dbraw/zinc/75/02/85/207750285.db2.gz YUIZNJGHNIDPMO-LLVKDONJSA-N 1 0 313.348 3.041 20 5 DGBDRO C[NH+](C)CCOc1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000119683095 195017418 /nfs/dbraw/zinc/01/74/18/195017418.db2.gz QKEHAHOEHNOQCA-UHFFFAOYSA-N 1 0 321.402 3.209 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000119683345 195017664 /nfs/dbraw/zinc/01/76/64/195017664.db2.gz MPMABYVQDMVLQC-CYBMUJFWSA-N 1 0 303.406 3.181 20 5 DGBDRO CN(C(=O)C[NH2+][C@H]1CCCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000119758400 195032564 /nfs/dbraw/zinc/03/25/64/195032564.db2.gz NLGASGHXAVXCOO-HNNXBMFYSA-N 1 0 319.405 3.116 20 5 DGBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119793984 195037742 /nfs/dbraw/zinc/03/77/42/195037742.db2.gz GBEWQAZUUAROOU-ZDUSSCGKSA-N 1 0 300.786 3.135 20 5 DGBDRO CCN1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000249032889 285047471 /nfs/dbraw/zinc/04/74/71/285047471.db2.gz RROXYADSZKFNDO-RDJZCZTQSA-N 1 0 303.406 3.046 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C(C)(C)O1 ZINC000119896407 195058040 /nfs/dbraw/zinc/05/80/40/195058040.db2.gz NJAPZWLMUITWNL-CYBMUJFWSA-N 1 0 319.361 3.172 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1CO ZINC000249106532 285056224 /nfs/dbraw/zinc/05/62/24/285056224.db2.gz QOKWCGSMJHZUTK-WBMJQRKESA-N 1 0 316.357 3.058 20 5 DGBDRO CCC[C@H]([NH2+]CCN1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000336867742 253014084 /nfs/dbraw/zinc/01/40/84/253014084.db2.gz UAIIJTJMTIQSIY-INIZCTEOSA-N 1 0 323.462 3.074 20 5 DGBDRO O=[N+]([O-])c1cccc2c(NCC[NH+]3CCCCCC3)ccnc21 ZINC000336869254 253014980 /nfs/dbraw/zinc/01/49/80/253014980.db2.gz AKUMQBHTPNUWGC-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000336860279 253011075 /nfs/dbraw/zinc/01/10/75/253011075.db2.gz PKHFOFZJNCERQB-SGIREYDYSA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCc2c[nH+]ccc21 ZINC000487784403 285083229 /nfs/dbraw/zinc/08/32/29/285083229.db2.gz NJEKHAPYAJWICC-UHFFFAOYSA-N 1 0 320.146 3.447 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c(F)c1 ZINC000337294804 253080457 /nfs/dbraw/zinc/08/04/57/253080457.db2.gz PNUCFNFGCIRBJM-CHWSQXEVSA-N 1 0 318.295 3.374 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000337309943 253083871 /nfs/dbraw/zinc/08/38/71/253083871.db2.gz UJRYSTTWEVBOIK-CHWSQXEVSA-N 1 0 300.305 3.235 20 5 DGBDRO CCC1(CC)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337256919 253071581 /nfs/dbraw/zinc/07/15/81/253071581.db2.gz SUYBVRJYGKHMPD-UHFFFAOYSA-N 1 0 319.405 3.436 20 5 DGBDRO CCC1(C)CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000337689361 253159882 /nfs/dbraw/zinc/15/98/82/253159882.db2.gz MYYYDCDZLKFATM-UHFFFAOYSA-N 1 0 319.405 3.070 20 5 DGBDRO COCc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000338343909 253269802 /nfs/dbraw/zinc/26/98/02/253269802.db2.gz CFSVOPYEUVPMFV-UHFFFAOYSA-N 1 0 314.385 3.416 20 5 DGBDRO COCC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000338349172 253271020 /nfs/dbraw/zinc/27/10/20/253271020.db2.gz DLFYZAPEXVFKJZ-CQSZACIVSA-N 1 0 320.393 3.012 20 5 DGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccc(F)c1 ZINC000338365583 253274139 /nfs/dbraw/zinc/27/41/39/253274139.db2.gz FPLRKNJYDVLTCJ-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO C[C@]1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000120207010 195119353 /nfs/dbraw/zinc/11/93/53/195119353.db2.gz IQGJDZQBTXCZOA-INIZCTEOSA-N 1 0 302.330 3.123 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000158253302 197256629 /nfs/dbraw/zinc/25/66/29/197256629.db2.gz POOOWVXLTUGVPN-RHSMWYFYSA-N 1 0 314.385 3.157 20 5 DGBDRO COc1ccc(C[NH2+]C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000341724092 253861080 /nfs/dbraw/zinc/86/10/80/253861080.db2.gz WZCCNTKKVNHBBV-UHFFFAOYSA-N 1 0 300.305 3.271 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N1CCC([NH+]2CCCCC2)CC1 ZINC000286439710 285155907 /nfs/dbraw/zinc/15/59/07/285155907.db2.gz QRHOPOSRVPMYIW-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO CCC[NH+]1CCC(N(C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255424442 285155378 /nfs/dbraw/zinc/15/53/78/285155378.db2.gz XRRNHAUOOHTUDY-VURMDHGXSA-N 1 0 317.433 3.414 20 5 DGBDRO COCC[C@@]1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOC1 ZINC000447075115 285156917 /nfs/dbraw/zinc/15/69/17/285156917.db2.gz ITJPTUJXFXZFPC-QGZVFWFLSA-N 1 0 322.405 3.003 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000295135240 285161496 /nfs/dbraw/zinc/16/14/96/285161496.db2.gz YSWVMYAAVQDTPJ-NUEKZKHPSA-N 1 0 304.390 3.075 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000090800200 285161987 /nfs/dbraw/zinc/16/19/87/285161987.db2.gz GOINVUTZYIYXEZ-MFNRNEDNSA-N 1 0 318.417 3.199 20 5 DGBDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157730062 197211098 /nfs/dbraw/zinc/21/10/98/197211098.db2.gz RYBMYDOZZQLZBR-LLVKDONJSA-N 1 0 308.769 3.138 20 5 DGBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ncccc1[N+](=O)[O-])c1ccco1 ZINC000343245825 254119853 /nfs/dbraw/zinc/11/98/53/254119853.db2.gz CRKMRSHHWPIVDD-NEPJUHHUSA-N 1 0 304.350 3.124 20 5 DGBDRO CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000343275334 254123284 /nfs/dbraw/zinc/12/32/84/254123284.db2.gz TXWSBRQBBZKAPA-UHFFFAOYSA-N 1 0 319.405 3.110 20 5 DGBDRO CC(=O)c1cc(NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000343092765 254098370 /nfs/dbraw/zinc/09/83/70/254098370.db2.gz PZMLXKBGCNHSMO-UHFFFAOYSA-N 1 0 317.389 3.084 20 5 DGBDRO Cc1c(C[N@@H+](C)[C@@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000343116002 254101743 /nfs/dbraw/zinc/10/17/43/254101743.db2.gz DBXZDNBZTRHEHX-KRWDZBQOSA-N 1 0 300.358 3.069 20 5 DGBDRO O=[N+]([O-])c1ccsc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000301935391 285170342 /nfs/dbraw/zinc/17/03/42/285170342.db2.gz PFPRDIVPINLJPL-UHFFFAOYSA-N 1 0 317.414 3.369 20 5 DGBDRO CC[N@H+](CCNc1c(F)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000343208461 254115008 /nfs/dbraw/zinc/11/50/08/254115008.db2.gz SHLUNRRMEPBZRO-UHFFFAOYSA-N 1 0 323.290 3.420 20 5 DGBDRO CCOc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343618289 254168472 /nfs/dbraw/zinc/16/84/72/254168472.db2.gz FDFAACOZBZXDQG-DZGCQCFKSA-N 1 0 319.405 3.057 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000344032904 254216127 /nfs/dbraw/zinc/21/61/27/254216127.db2.gz FDONCBYYWKMERV-KBPBESRZSA-N 1 0 317.389 3.210 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344061831 254219373 /nfs/dbraw/zinc/21/93/73/254219373.db2.gz MUORRQJMYLGXTL-UONOGXRCSA-N 1 0 317.389 3.210 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344066167 254220149 /nfs/dbraw/zinc/22/01/49/254220149.db2.gz PTDZOSRBZPCUCG-STQMWFEESA-N 1 0 319.405 3.290 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](C4CC4)C3)nc2c1 ZINC000344093678 254224170 /nfs/dbraw/zinc/22/41/70/254224170.db2.gz KSXHHGQFHLXNRX-LBPRGKRZSA-N 1 0 300.362 3.093 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1CCCC1 ZINC000344242728 254243974 /nfs/dbraw/zinc/24/39/74/254243974.db2.gz OMECJJFDCQXXOI-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344001332 254211533 /nfs/dbraw/zinc/21/15/33/254211533.db2.gz YLUPZYRCPYNTCH-OCCSQVGLSA-N 1 0 317.389 3.044 20 5 DGBDRO Cc1c(CN2CCC[C@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000157099230 197162322 /nfs/dbraw/zinc/16/23/22/197162322.db2.gz IZKIWDSBJFOPJS-KRWDZBQOSA-N 1 0 317.433 3.354 20 5 DGBDRO C[C@](O)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000344404965 254267123 /nfs/dbraw/zinc/26/71/23/254267123.db2.gz FRKFHPKBETYDGD-KRWDZBQOSA-N 1 0 316.357 3.105 20 5 DGBDRO C[C@@H](CCO)C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000345169693 254336091 /nfs/dbraw/zinc/33/60/91/254336091.db2.gz GWCBOKFOFXNKQV-QZDDGCDVSA-N 1 0 318.417 3.386 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1c(C)nn(C)c1C ZINC000344796748 254306513 /nfs/dbraw/zinc/30/65/13/254306513.db2.gz VJPGZTOEMWFXKL-XYOKQWHBSA-N 1 0 314.389 3.138 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CCC3)s2)cc1 ZINC000344850441 254310518 /nfs/dbraw/zinc/31/05/18/254310518.db2.gz UCWYIDHUKBYVFF-UHFFFAOYSA-N 1 0 317.414 3.119 20 5 DGBDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156002791 197079679 /nfs/dbraw/zinc/07/96/79/197079679.db2.gz IYAANFLKNCHOQN-LLVKDONJSA-N 1 0 303.362 3.401 20 5 DGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCOC(C)(C)C1 ZINC000289844078 285243473 /nfs/dbraw/zinc/24/34/73/285243473.db2.gz PGNRNGAZCHYLOB-OAHLLOKOSA-N 1 0 322.405 3.383 20 5 DGBDRO Cc1cc(N2CCCO[C@@H](CF)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413476121 291933492 /nfs/dbraw/zinc/93/34/92/291933492.db2.gz DESLKHOLMJVLBF-ZDUSSCGKSA-N 1 0 319.336 3.016 20 5 DGBDRO Cc1nn(C(C)C)cc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289556380 221065143 /nfs/dbraw/zinc/06/51/43/221065143.db2.gz RLAXYCOAOLOXPN-UHFFFAOYSA-N 1 0 316.405 3.355 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121735439 195336784 /nfs/dbraw/zinc/33/67/84/195336784.db2.gz VGTCGIZXQRADFC-AVGNSLFASA-N 1 0 305.378 3.090 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000470169328 533381570 /nfs/dbraw/zinc/38/15/70/533381570.db2.gz DJSOERQJUWSVHR-MBSJSRAVSA-N 1 0 304.390 3.357 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000468652847 533385523 /nfs/dbraw/zinc/38/55/23/533385523.db2.gz KMKAWDZVHGMQLR-ZOHQOTHLSA-N 1 0 304.390 3.139 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000470203260 533406541 /nfs/dbraw/zinc/40/65/41/533406541.db2.gz PMBTZDNZAVEMTE-MAUPQMMJSA-N 1 0 314.389 3.425 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000470170260 533407551 /nfs/dbraw/zinc/40/75/51/533407551.db2.gz RGUZKBPMXXRDOI-IDKBZEPQSA-N 1 0 303.406 3.024 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000468652839 533409887 /nfs/dbraw/zinc/40/98/87/533409887.db2.gz KMKAWDZVHGMQLR-FIRJTHROSA-N 1 0 304.390 3.139 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000595052917 400090199 /nfs/dbraw/zinc/09/01/99/400090199.db2.gz STIWSLKVTZQHRD-XWCIJXRUSA-N 1 0 322.405 3.458 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCC(OC)CC1 ZINC000595052937 400091468 /nfs/dbraw/zinc/09/14/68/400091468.db2.gz TXHBZTUJHHSPGS-LKSINWNRSA-N 1 0 308.378 3.212 20 5 DGBDRO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595056402 400093513 /nfs/dbraw/zinc/09/35/13/400093513.db2.gz GYTLFXZAWNACAI-WMLDXEAASA-N 1 0 317.433 3.435 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC000595065798 400096272 /nfs/dbraw/zinc/09/62/72/400096272.db2.gz VHNXCHFOCZHGIE-MACDAGOESA-N 1 0 324.446 3.244 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1c(C2CC2)cnn1C ZINC000595076116 400100469 /nfs/dbraw/zinc/10/04/69/400100469.db2.gz FCHUDGLBSZHHKT-LBPRGKRZSA-N 1 0 314.389 3.365 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595080692 400101517 /nfs/dbraw/zinc/10/15/17/400101517.db2.gz NQQLUNGPBOLRRZ-XHDPSFHLSA-N 1 0 305.378 3.090 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595080691 400101528 /nfs/dbraw/zinc/10/15/28/400101528.db2.gz NQQLUNGPBOLRRZ-NHYWBVRUSA-N 1 0 305.378 3.090 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000285027341 400079217 /nfs/dbraw/zinc/07/92/17/400079217.db2.gz ZWSHDBADIJOPCY-IAGOWNOFSA-N 1 0 320.389 3.007 20 5 DGBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000616071525 400080521 /nfs/dbraw/zinc/08/05/21/400080521.db2.gz RCXOMWZZRZHBNE-UHFFFAOYSA-N 1 0 321.424 3.458 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C ZINC000595035157 400083510 /nfs/dbraw/zinc/08/35/10/400083510.db2.gz HBGGVLXHFDODOW-BLLLJJGKSA-N 1 0 324.421 3.297 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC1(OC)CCC1 ZINC000595038368 400084900 /nfs/dbraw/zinc/08/49/00/400084900.db2.gz MJIHQDQDXYGVNX-GFCCVEGCSA-N 1 0 308.378 3.213 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCO1 ZINC000595036990 400085150 /nfs/dbraw/zinc/08/51/50/400085150.db2.gz ZCUHLYYIHWEXHP-CQDKDKBSSA-N 1 0 308.378 3.212 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506972 400172375 /nfs/dbraw/zinc/17/23/75/400172375.db2.gz JIMDOWBTNZOGTE-YOEHRIQHSA-N 1 0 303.406 3.074 20 5 DGBDRO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000595525331 400177845 /nfs/dbraw/zinc/17/78/45/400177845.db2.gz RDAJKCOALTWWBT-UKPHBRMFSA-N 1 0 304.390 3.342 20 5 DGBDRO CC(=O)c1ccc(NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000017281358 400178687 /nfs/dbraw/zinc/17/86/87/400178687.db2.gz ZFJHMTVALLJCPA-UHFFFAOYSA-N 1 0 305.378 3.082 20 5 DGBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595534239 400179691 /nfs/dbraw/zinc/17/96/91/400179691.db2.gz GSBIXLFOVNFNBR-WBVHZDCISA-N 1 0 316.332 3.136 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000609613665 400181143 /nfs/dbraw/zinc/18/11/43/400181143.db2.gz HCWHKMVZYLQRDH-LSDHHAIUSA-N 1 0 318.421 3.081 20 5 DGBDRO Cc1noc(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)c1[N+](=O)[O-] ZINC000595415109 400142590 /nfs/dbraw/zinc/14/25/90/400142590.db2.gz LWFYEOQSKSPBQL-LBPRGKRZSA-N 1 0 303.362 3.347 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCCC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000595419816 400144321 /nfs/dbraw/zinc/14/43/21/400144321.db2.gz LVXWHMKRULVKGW-AWEZNQCLSA-N 1 0 321.421 3.106 20 5 DGBDRO Cc1noc(C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)c1[N+](=O)[O-] ZINC000595422510 400144325 /nfs/dbraw/zinc/14/43/25/400144325.db2.gz HTTOBAYNVLVQIT-CQSZACIVSA-N 1 0 321.352 3.387 20 5 DGBDRO Cc1noc(C[NH2+][C@H](Cc2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000595424138 400145414 /nfs/dbraw/zinc/14/54/14/400145414.db2.gz NVDUXQHKVWIECJ-CQSZACIVSA-N 1 0 301.346 3.002 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000316490361 400149833 /nfs/dbraw/zinc/14/98/33/400149833.db2.gz XXXCFTFLKPBOHE-HUUCEWRRSA-N 1 0 323.824 3.355 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092071710 400152104 /nfs/dbraw/zinc/15/21/04/400152104.db2.gz NILRWRHVABHAKL-VFQAQYNWSA-N 1 0 312.373 3.211 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000609234765 400152860 /nfs/dbraw/zinc/15/28/60/400152860.db2.gz LQLTZGDNOMIRTC-FZMZJTMJSA-N 1 0 307.394 3.336 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000595561262 400187347 /nfs/dbraw/zinc/18/73/47/400187347.db2.gz DMCLWYIFTZJAMW-ZDUSSCGKSA-N 1 0 301.321 3.118 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)O ZINC000609708038 400187412 /nfs/dbraw/zinc/18/74/12/400187412.db2.gz ZOOUPOBZMKBZSG-NSHDSACASA-N 1 0 304.346 3.104 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000318243440 400157831 /nfs/dbraw/zinc/15/78/31/400157831.db2.gz JHODPCNOYOTSLB-IMJJTQAJSA-N 1 0 304.390 3.196 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)CC(C)(C)C ZINC000609317311 400159206 /nfs/dbraw/zinc/15/92/06/400159206.db2.gz TZMUOHTXKURNKV-UHFFFAOYSA-N 1 0 324.421 3.222 20 5 DGBDRO Cc1cc([C@@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)on1 ZINC000067387183 400167244 /nfs/dbraw/zinc/16/72/44/400167244.db2.gz PTMNUSIXPQHSGW-HNNXBMFYSA-N 1 0 317.345 3.107 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595503399 400170381 /nfs/dbraw/zinc/17/03/81/400170381.db2.gz UKILWXAFZFIKGY-AWEZNQCLSA-N 1 0 301.346 3.271 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(C)C)CC2)c1 ZINC000609495145 400170432 /nfs/dbraw/zinc/17/04/32/400170432.db2.gz CQIRLFNYFMQMDV-UHFFFAOYSA-N 1 0 307.394 3.136 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000595505471 400170567 /nfs/dbraw/zinc/17/05/67/400170567.db2.gz RTMDOBAMZUSEEA-OAHLLOKOSA-N 1 0 310.369 3.011 20 5 DGBDRO Cc1cnc(N2CCC(C[NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000610284169 400234510 /nfs/dbraw/zinc/23/45/10/400234510.db2.gz AODYEQORICQFCC-UHFFFAOYSA-N 1 0 318.421 3.001 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000588929997 400246723 /nfs/dbraw/zinc/24/67/23/400246723.db2.gz GSLDPNUPXYWFEL-CQSZACIVSA-N 1 0 320.776 3.114 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601151163 400250163 /nfs/dbraw/zinc/25/01/63/400250163.db2.gz QPJPWRDTVXYYPA-RNCFNFMXSA-N 1 0 320.311 3.120 20 5 DGBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1ccoc1 ZINC000610368547 400252193 /nfs/dbraw/zinc/25/21/93/400252193.db2.gz KWQZOFZFSDSWQY-UHFFFAOYSA-N 1 0 320.345 3.097 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000610368836 400252224 /nfs/dbraw/zinc/25/22/24/400252224.db2.gz UTMVGBJSIMHDBD-KGLIPLIRSA-N 1 0 300.362 3.189 20 5 DGBDRO CCOc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672297 400192314 /nfs/dbraw/zinc/19/23/14/400192314.db2.gz MQUHHNKKEVJERL-DGCLKSJQSA-N 1 0 305.378 3.031 20 5 DGBDRO CCOc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672303 400192442 /nfs/dbraw/zinc/19/24/42/400192442.db2.gz MQUHHNKKEVJERL-YPMHNXCESA-N 1 0 305.378 3.031 20 5 DGBDRO CC(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000068334979 400253610 /nfs/dbraw/zinc/25/36/10/400253610.db2.gz NAHQQZRXDMELIS-JTQLQIEISA-N 1 0 313.785 3.163 20 5 DGBDRO CC[C@H](C)[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595599425 400198343 /nfs/dbraw/zinc/19/83/43/400198343.db2.gz LJTOHKSSVCTASN-LBPRGKRZSA-N 1 0 323.393 3.052 20 5 DGBDRO CC[C@H](C)[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595597851 400198934 /nfs/dbraw/zinc/19/89/34/400198934.db2.gz BKTLIKRFNBFKAI-ZDUSSCGKSA-N 1 0 307.394 3.352 20 5 DGBDRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595601696 400199802 /nfs/dbraw/zinc/19/98/02/400199802.db2.gz QKVGICFTAPNWJK-MRXNPFEDSA-N 1 0 314.389 3.245 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595602518 400199915 /nfs/dbraw/zinc/19/99/15/400199915.db2.gz VYUOXUCZWCMARD-CYBMUJFWSA-N 1 0 307.394 3.352 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595792266 400262717 /nfs/dbraw/zinc/26/27/17/400262717.db2.gz ZBLDAVMPSVOOPN-AEFFLSMTSA-N 1 0 318.417 3.418 20 5 DGBDRO COc1cc(NC[C@H](C2CC2)[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596116203 400322048 /nfs/dbraw/zinc/32/20/48/400322048.db2.gz ZVPIETKKIQJMNE-CYBMUJFWSA-N 1 0 313.785 3.009 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3ccon3)CC2)cc1 ZINC000595827057 400272582 /nfs/dbraw/zinc/27/25/82/400272582.db2.gz ABDFVBLERFYHJH-UHFFFAOYSA-N 1 0 301.346 3.005 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(CC(C)C)CC1 ZINC000595829987 400272924 /nfs/dbraw/zinc/27/29/24/400272924.db2.gz CGEPYTYTPGPIMV-UHFFFAOYSA-N 1 0 305.378 3.010 20 5 DGBDRO [NH3+]CCN(Cc1cc2ccccc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000589191370 400273606 /nfs/dbraw/zinc/27/36/06/400273606.db2.gz MHJFCHPZBSNFFU-UHFFFAOYSA-N 1 0 310.357 3.041 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000068659184 400277536 /nfs/dbraw/zinc/27/75/36/400277536.db2.gz PGWKUWOXGXKKQL-HNNXBMFYSA-N 1 0 318.352 3.152 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(CO)CCCCC1 ZINC000610583476 400277953 /nfs/dbraw/zinc/27/79/53/400277953.db2.gz VKUTVGGWLDTVQA-VURMDHGXSA-N 1 0 304.390 3.140 20 5 DGBDRO CCCCC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595869537 400283099 /nfs/dbraw/zinc/28/30/99/400283099.db2.gz BHGLYCOGRQQWLW-OAHLLOKOSA-N 1 0 321.421 3.191 20 5 DGBDRO Cc1c(CN2C[C@@H]([NH3+])CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000595903762 400290800 /nfs/dbraw/zinc/29/08/00/400290800.db2.gz FFUQHTMAROVIKE-INIZCTEOSA-N 1 0 311.385 3.183 20 5 DGBDRO [NH3+]C[C@H]1CCc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1F ZINC000595902986 400290993 /nfs/dbraw/zinc/29/09/93/400290993.db2.gz LFLJUXUXFQJJMO-OAHLLOKOSA-N 1 0 315.348 3.014 20 5 DGBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCCCC1 ZINC000595908329 400291929 /nfs/dbraw/zinc/29/19/29/400291929.db2.gz HOXZFZKUFBUDBZ-UHFFFAOYSA-N 1 0 308.378 3.042 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)C[C@@H](C)C2)c1 ZINC000589501636 400301866 /nfs/dbraw/zinc/30/18/66/400301866.db2.gz UQZAZGNPAGZKJM-QWHCGFSZSA-N 1 0 320.389 3.249 20 5 DGBDRO CCn1nccc1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000596061202 400306025 /nfs/dbraw/zinc/30/60/25/400306025.db2.gz GNEJYTDCCIDGPM-LCYFTJDESA-N 1 0 300.362 3.004 20 5 DGBDRO C[NH+]1CCC(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596061253 400306355 /nfs/dbraw/zinc/30/63/55/400306355.db2.gz HXFVPXMZSVVXJD-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1OCc1cccc2c1CC[NH2+]C2 ZINC000596069352 400308770 /nfs/dbraw/zinc/30/87/70/400308770.db2.gz FBFCOQDVYDSXLY-UHFFFAOYSA-N 1 0 318.760 3.473 20 5 DGBDRO Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596092985 400314812 /nfs/dbraw/zinc/31/48/12/400314812.db2.gz YQXAVUDDAWBKHN-GFCCVEGCSA-N 1 0 312.373 3.100 20 5 DGBDRO CCC[C@@H]([NH2+]Cc1ccnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000596093691 400315346 /nfs/dbraw/zinc/31/53/46/400315346.db2.gz DOOAZIIOUTWZBT-MRXNPFEDSA-N 1 0 302.378 3.442 20 5 DGBDRO C[C@@H](CC[NH+](C)C)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596099621 400317684 /nfs/dbraw/zinc/31/76/84/400317684.db2.gz UOUPVOSGKXVPAU-VIFPVBQESA-N 1 0 316.199 3.109 20 5 DGBDRO CC(C)[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000030148663 400321200 /nfs/dbraw/zinc/32/12/00/400321200.db2.gz SLKWBQRFYSHRFS-JTQLQIEISA-N 1 0 313.785 3.163 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595782138 400258210 /nfs/dbraw/zinc/25/82/10/400258210.db2.gz HMNYBWZFINISCW-ZIAGYGMSSA-N 1 0 319.405 3.068 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000589113285 400261203 /nfs/dbraw/zinc/26/12/03/400261203.db2.gz ILHCAPKVQFXTAP-LLVKDONJSA-N 1 0 317.311 3.144 20 5 DGBDRO Cc1nc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000611335736 400379496 /nfs/dbraw/zinc/37/94/96/400379496.db2.gz XWEFWGXRZZFSJK-JTQLQIEISA-N 1 0 321.402 3.398 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000072635481 400394275 /nfs/dbraw/zinc/39/42/75/400394275.db2.gz FYNKYGZGAATWBQ-GJZGRUSLSA-N 1 0 303.406 3.216 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(F)c1 ZINC000611350901 400383754 /nfs/dbraw/zinc/38/37/54/400383754.db2.gz MUYSULOOLFYIDW-ZIAGYGMSSA-N 1 0 322.380 3.373 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000596337386 400384597 /nfs/dbraw/zinc/38/45/97/400384597.db2.gz WFTYVJCFNHBEDW-GFCCVEGCSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000114771761 400390051 /nfs/dbraw/zinc/39/00/51/400390051.db2.gz QNBRYBLXCUBIFN-JTQLQIEISA-N 1 0 324.764 3.369 20 5 DGBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596144400 400329204 /nfs/dbraw/zinc/32/92/04/400329204.db2.gz CZONISUQZFWOHC-VHSXEESVSA-N 1 0 313.785 3.151 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000589950173 400341488 /nfs/dbraw/zinc/34/14/88/400341488.db2.gz WSBJEOHLJYZPIW-NDMJEZRESA-N 1 0 318.295 3.091 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000590053333 400350449 /nfs/dbraw/zinc/35/04/49/400350449.db2.gz RCKBHDAWYZUCGR-IOMDMTNGSA-N 1 0 316.401 3.357 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000590053335 400351076 /nfs/dbraw/zinc/35/10/76/400351076.db2.gz RCKBHDAWYZUCGR-LYLYKKCESA-N 1 0 316.401 3.357 20 5 DGBDRO Cc1cc(N2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])s1 ZINC000596214477 400351466 /nfs/dbraw/zinc/35/14/66/400351466.db2.gz IFXMAQVLEQFQDQ-GFCCVEGCSA-N 1 0 305.359 3.017 20 5 DGBDRO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611410972 400395273 /nfs/dbraw/zinc/39/52/73/400395273.db2.gz DQIFQSVGQDJLTP-ZDUSSCGKSA-N 1 0 303.387 3.343 20 5 DGBDRO O=[N+]([O-])c1ccsc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000611413763 400396195 /nfs/dbraw/zinc/39/61/95/400396195.db2.gz SEIHQCLVEAMSFI-AAEUAGOBSA-N 1 0 307.419 3.109 20 5 DGBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000590568686 400397225 /nfs/dbraw/zinc/39/72/25/400397225.db2.gz JEWSXQQXZHGXNY-SKDRFNHKSA-N 1 0 317.311 3.142 20 5 DGBDRO C[C@H](O)CC[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000072714199 400399738 /nfs/dbraw/zinc/39/97/38/400399738.db2.gz XVDWCYOWQJSXDK-ZDUSSCGKSA-N 1 0 311.381 3.149 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C(C)C)C(C)C ZINC000611434074 400400705 /nfs/dbraw/zinc/40/07/05/400400705.db2.gz LPHRWLPXMNBAJT-UHFFFAOYSA-N 1 0 307.394 3.112 20 5 DGBDRO Cc1cc(NCCC[N@@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000073000229 400422521 /nfs/dbraw/zinc/42/25/21/400422521.db2.gz PHCGBWITNNJBFG-UHFFFAOYSA-N 1 0 314.389 3.232 20 5 DGBDRO Nc1c(F)c(N[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596480166 400424275 /nfs/dbraw/zinc/42/42/75/400424275.db2.gz WTSRCSCBFXHAHH-NSHDSACASA-N 1 0 322.384 3.135 20 5 DGBDRO CC[C@@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120206062 400444493 /nfs/dbraw/zinc/44/44/93/400444493.db2.gz AROPNDGUVYFHMH-ZDUSSCGKSA-N 1 0 304.346 3.369 20 5 DGBDRO COCC[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000042977192 400447899 /nfs/dbraw/zinc/44/78/99/400447899.db2.gz ZRNRLXYEAVDISN-UHFFFAOYSA-N 1 0 300.358 3.243 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000121074404 400451565 /nfs/dbraw/zinc/45/15/65/400451565.db2.gz LKTUENCDCUCMJJ-JKSUJKDBSA-N 1 0 304.390 3.374 20 5 DGBDRO CC1(C)CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602577170 400503164 /nfs/dbraw/zinc/50/31/64/400503164.db2.gz UIXNJXDGJUNVOD-AWEZNQCLSA-N 1 0 318.421 3.127 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602582640 400504021 /nfs/dbraw/zinc/50/40/21/400504021.db2.gz QUZXRRNLZQEXFR-IAQYHMDHSA-N 1 0 319.361 3.029 20 5 DGBDRO CCC(C)(C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000074319985 400504166 /nfs/dbraw/zinc/50/41/66/400504166.db2.gz ALVXCVWMOPFGMF-UHFFFAOYSA-N 1 0 304.350 3.265 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCC[NH2+]CC2)o1 ZINC000591278586 400505600 /nfs/dbraw/zinc/50/56/00/400505600.db2.gz UHUKDJPPLIYWOH-CYBMUJFWSA-N 1 0 315.373 3.087 20 5 DGBDRO CC(C)c1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591282905 400506548 /nfs/dbraw/zinc/50/65/48/400506548.db2.gz YYPTVYOPLSQZSW-OAHLLOKOSA-N 1 0 317.433 3.483 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCCCS3)nc2c1 ZINC000602604843 400509515 /nfs/dbraw/zinc/50/95/15/400509515.db2.gz OUWWTZKMDNANHA-NSHDSACASA-N 1 0 307.375 3.111 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000123065268 400466333 /nfs/dbraw/zinc/46/63/33/400466333.db2.gz BYTNSOSCFJOEDE-CVEARBPZSA-N 1 0 321.421 3.186 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000123065068 400466540 /nfs/dbraw/zinc/46/65/40/400466540.db2.gz BYTNSOSCFJOEDE-HOTGVXAUSA-N 1 0 321.421 3.186 20 5 DGBDRO Cc1ccncc1[C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000611939726 400466570 /nfs/dbraw/zinc/46/65/70/400466570.db2.gz LWDXIRHCQHGHBI-ZDUSSCGKSA-N 1 0 301.346 3.028 20 5 DGBDRO C[C@H]([N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000591010939 400474889 /nfs/dbraw/zinc/47/48/89/400474889.db2.gz DVEZXTMJERNXCN-LBPRGKRZSA-N 1 0 307.394 3.290 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCCCCC3)CC2)cn1 ZINC000602500560 400480125 /nfs/dbraw/zinc/48/01/25/400480125.db2.gz AGTICXHKXDEAFP-UHFFFAOYSA-N 1 0 318.421 3.271 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061689 400481014 /nfs/dbraw/zinc/48/10/14/400481014.db2.gz DDHZTALIVFTBST-GXTWGEPZSA-N 1 0 317.389 3.044 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCCOC1 ZINC000602519476 400487061 /nfs/dbraw/zinc/48/70/61/400487061.db2.gz ZZGYZXXMPWXQIP-SNVBAGLBSA-N 1 0 318.295 3.130 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCc2ccc(O)cc2)cc1 ZINC000602544821 400492895 /nfs/dbraw/zinc/49/28/95/400492895.db2.gz DGFGLKLMARHYMG-UHFFFAOYSA-N 1 0 300.358 3.065 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H](C)O ZINC000602557786 400495986 /nfs/dbraw/zinc/49/59/86/400495986.db2.gz IXKKCWDZKNAZSU-ZJUUUORDSA-N 1 0 320.311 3.110 20 5 DGBDRO CC[C@H](C)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602561930 400497516 /nfs/dbraw/zinc/49/75/16/400497516.db2.gz RRDUARIXPDCXNI-KBPBESRZSA-N 1 0 320.437 3.373 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000602780337 400571913 /nfs/dbraw/zinc/57/19/13/400571913.db2.gz HGFURHQESMSRQV-OCCSQVGLSA-N 1 0 318.377 3.166 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444792 400527110 /nfs/dbraw/zinc/52/71/10/400527110.db2.gz WWEKFAIXBZDSCR-RYUDHWBXSA-N 1 0 309.797 3.074 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1 ZINC000602674142 400533982 /nfs/dbraw/zinc/53/39/82/400533982.db2.gz FLERWUXBORDBLP-HNNXBMFYSA-N 1 0 304.390 3.076 20 5 DGBDRO CC(C)(CO)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602673160 400534605 /nfs/dbraw/zinc/53/46/05/400534605.db2.gz ITROQAMSXJEPKI-UHFFFAOYSA-N 1 0 320.311 3.112 20 5 DGBDRO Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000130616282 400541924 /nfs/dbraw/zinc/54/19/24/400541924.db2.gz YBOOBJHFVITHGX-OAHLLOKOSA-N 1 0 318.352 3.411 20 5 DGBDRO C[C@@H](NC[C@H](C)[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591580662 400542265 /nfs/dbraw/zinc/54/22/65/400542265.db2.gz JCXHKCWEVYYQEF-WDEREUQCSA-N 1 0 305.403 3.321 20 5 DGBDRO Cc1ccc([C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591582690 400543092 /nfs/dbraw/zinc/54/30/92/400543092.db2.gz UFTRWLMOPQWBQS-HIFRSBDPSA-N 1 0 303.406 3.229 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CCCCC2)c(Cl)c1 ZINC000130921487 400544044 /nfs/dbraw/zinc/54/40/44/400544044.db2.gz BDWDXRCCUGZIPO-UHFFFAOYSA-N 1 0 312.797 3.281 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCC3CCC3)CC2)cn1 ZINC000602712655 400548340 /nfs/dbraw/zinc/54/83/40/400548340.db2.gz ZRPWBKYKAMCBSS-UHFFFAOYSA-N 1 0 318.421 3.129 20 5 DGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000075021532 400553584 /nfs/dbraw/zinc/55/35/84/400553584.db2.gz PBQUWSFPUFVTFX-BXUZGUMPSA-N 1 0 306.362 3.082 20 5 DGBDRO CC1(C)CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591767752 400554771 /nfs/dbraw/zinc/55/47/71/400554771.db2.gz FHIQQENEHHHURH-CYBMUJFWSA-N 1 0 319.405 3.339 20 5 DGBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000602807492 400580572 /nfs/dbraw/zinc/58/05/72/400580572.db2.gz VBAHTAABOKPNRA-CQSZACIVSA-N 1 0 324.331 3.119 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCC(C)(C)C ZINC000592144460 400615192 /nfs/dbraw/zinc/61/51/92/400615192.db2.gz IWOKIUFZSQFDIU-LBPRGKRZSA-N 1 0 307.394 3.290 20 5 DGBDRO O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000592159973 400616844 /nfs/dbraw/zinc/61/68/44/400616844.db2.gz IATQBLNAGRTNKP-MRXNPFEDSA-N 1 0 312.369 3.174 20 5 DGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000075899870 400621008 /nfs/dbraw/zinc/62/10/08/400621008.db2.gz IOEQOWOODBKXSL-MRXNPFEDSA-N 1 0 300.358 3.150 20 5 DGBDRO Cc1cccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000047742899 400630050 /nfs/dbraw/zinc/63/00/50/400630050.db2.gz DBGVKFGYDFVNPL-UHFFFAOYSA-N 1 0 311.385 3.225 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CO)cc1)CCC2 ZINC000592392902 400643492 /nfs/dbraw/zinc/64/34/92/400643492.db2.gz HCENSGKBHIDJSD-SFHVURJKSA-N 1 0 312.369 3.254 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000592392891 400643503 /nfs/dbraw/zinc/64/35/03/400643503.db2.gz DFSGZSRASQYDRH-CYBMUJFWSA-N 1 0 300.358 3.246 20 5 DGBDRO C=Cn1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000618598943 400638947 /nfs/dbraw/zinc/63/89/47/400638947.db2.gz DCKXUUGBPCEICO-UHFFFAOYSA-N 1 0 300.362 3.004 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(O)(C1CC1)C1CC1 ZINC000597214026 400589677 /nfs/dbraw/zinc/58/96/77/400589677.db2.gz KCYUXWYZTDVCEN-CYBMUJFWSA-N 1 0 318.417 3.057 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(c2ccon2)CC1 ZINC000597227581 400592862 /nfs/dbraw/zinc/59/28/62/400592862.db2.gz GRAUBGMHXLSUSV-HYXAFXHYSA-N 1 0 313.357 3.476 20 5 DGBDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000597236111 400595367 /nfs/dbraw/zinc/59/53/67/400595367.db2.gz NXYJNEDOCJYYJY-DOTOQJQBSA-N 1 0 320.389 3.115 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000597257846 400601425 /nfs/dbraw/zinc/60/14/25/400601425.db2.gz ITFHOJFTOUVELC-UHFFFAOYSA-N 1 0 314.389 3.211 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000592398826 400645869 /nfs/dbraw/zinc/64/58/69/400645869.db2.gz UQIGDHJEYAAVGP-OFQRWUPVSA-N 1 0 308.422 3.303 20 5 DGBDRO Cc1cccc2nc(CC[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000592402570 400647178 /nfs/dbraw/zinc/64/71/78/400647178.db2.gz JEUBMAHMAGVHJF-CQSZACIVSA-N 1 0 324.384 3.444 20 5 DGBDRO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000076416398 400653712 /nfs/dbraw/zinc/65/37/12/400653712.db2.gz MYXNRFBLCWBVPR-UHFFFAOYSA-N 1 0 308.378 3.149 20 5 DGBDRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000150109088 400663797 /nfs/dbraw/zinc/66/37/97/400663797.db2.gz GCRCRXMFHSFRDP-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000076799070 400672680 /nfs/dbraw/zinc/67/26/80/400672680.db2.gz NAPWETYAGQGXEV-ZIAGYGMSSA-N 1 0 306.410 3.160 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)nc1 ZINC000076721106 400668769 /nfs/dbraw/zinc/66/87/69/400668769.db2.gz JKOHAMICGBQAOM-UHFFFAOYSA-N 1 0 318.421 3.082 20 5 DGBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000613188793 400670175 /nfs/dbraw/zinc/67/01/75/400670175.db2.gz FMDZTJYSCSSUNH-AWEZNQCLSA-N 1 0 306.410 3.084 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2cnccc2c1 ZINC000618723377 400675406 /nfs/dbraw/zinc/67/54/06/400675406.db2.gz FIEYAUUYLJOBBU-UHFFFAOYSA-N 1 0 323.352 3.441 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000603838157 400720777 /nfs/dbraw/zinc/72/07/77/400720777.db2.gz ZVRAWNSDEVVADD-ZDUSSCGKSA-N 1 0 318.402 3.300 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000618967123 400730912 /nfs/dbraw/zinc/73/09/12/400730912.db2.gz SDZLQHAMSQQPBN-UHFFFAOYSA-N 1 0 311.341 3.375 20 5 DGBDRO CC1(C)[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000618987901 400740558 /nfs/dbraw/zinc/74/05/58/400740558.db2.gz BWIPRZZIFDEWKA-ZNMIVQPWSA-N 1 0 304.390 3.066 20 5 DGBDRO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1 ZINC000052908887 400753265 /nfs/dbraw/zinc/75/32/65/400753265.db2.gz QYTOJJOOGBXUMO-UHFFFAOYSA-N 1 0 316.361 3.409 20 5 DGBDRO CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053376693 400779439 /nfs/dbraw/zinc/77/94/39/400779439.db2.gz SBAKAGDYSJQJNA-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000078401544 400797145 /nfs/dbraw/zinc/79/71/45/400797145.db2.gz ZOTSYQBFAYMHDR-UHFFFAOYSA-N 1 0 312.801 3.177 20 5 DGBDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000593597214 400878053 /nfs/dbraw/zinc/87/80/53/400878053.db2.gz VRLUMGPTPJHYMA-CYBMUJFWSA-N 1 0 310.394 3.144 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CC1(F)F ZINC000598647444 400848395 /nfs/dbraw/zinc/84/83/95/400848395.db2.gz MGENMPFSJIMIDD-NSHDSACASA-N 1 0 300.305 3.128 20 5 DGBDRO CC1CC(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000598648385 400849717 /nfs/dbraw/zinc/84/97/17/400849717.db2.gz OCWIZPDNCTYFAS-UHFFFAOYSA-N 1 0 314.389 3.131 20 5 DGBDRO CCOC(CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)OCC ZINC000278820785 285987108 /nfs/dbraw/zinc/98/71/08/285987108.db2.gz SLNMYZGBDBNJMG-INIZCTEOSA-N 1 0 322.405 3.351 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000599084357 400955175 /nfs/dbraw/zinc/95/51/75/400955175.db2.gz BBXXLFIXIACJII-ZLIFDBKOSA-N 1 0 316.401 3.474 20 5 DGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599072186 400950115 /nfs/dbraw/zinc/95/01/15/400950115.db2.gz DSEPWLDVKHLUQT-UAGQMJEPSA-N 1 0 304.390 3.073 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)CCF)s1 ZINC000593689176 400892624 /nfs/dbraw/zinc/89/26/24/400892624.db2.gz KJHJYMRENZEQNG-LLVKDONJSA-N 1 0 324.377 3.133 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1ccsc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000619746366 400897702 /nfs/dbraw/zinc/89/77/02/400897702.db2.gz PWZCZSFSXDIYNO-QWRGUYRKSA-N 1 0 319.386 3.334 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cccc1[N+](=O)[O-] ZINC000594026111 400952276 /nfs/dbraw/zinc/95/22/76/400952276.db2.gz CWQQHOHGFRPFCD-MRXNPFEDSA-N 1 0 304.390 3.437 20 5 DGBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC2(C1)CC(F)(F)C2 ZINC000599074491 400952372 /nfs/dbraw/zinc/95/23/72/400952372.db2.gz MYBDVYDSGBTXOA-UHFFFAOYSA-N 1 0 305.284 3.379 20 5 DGBDRO CO[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[C@H]1C ZINC000599074240 400952645 /nfs/dbraw/zinc/95/26/45/400952645.db2.gz VFSBHDPHIIDZBZ-IAQYHMDHSA-N 1 0 301.346 3.004 20 5 DGBDRO CC(C)CC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598992184 400922691 /nfs/dbraw/zinc/92/26/91/400922691.db2.gz XYRTVVNDHPQOPS-GFCCVEGCSA-N 1 0 300.786 3.135 20 5 DGBDRO CN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000598994192 400923013 /nfs/dbraw/zinc/92/30/13/400923013.db2.gz XKUAEWKWIYKWLB-OAHLLOKOSA-N 1 0 315.373 3.039 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000598993642 400923196 /nfs/dbraw/zinc/92/31/96/400923196.db2.gz ZBUYFKITYBBXOZ-SFHVURJKSA-N 1 0 317.433 3.400 20 5 DGBDRO COc1cc(C[NH2+]CC[C@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000599000177 400925113 /nfs/dbraw/zinc/92/51/13/400925113.db2.gz LLGJCWDUTYBDOD-ZDUSSCGKSA-N 1 0 320.389 3.448 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2COC2)s1 ZINC000599011831 400926920 /nfs/dbraw/zinc/92/69/20/400926920.db2.gz MWFAMUYNELCUKQ-UHFFFAOYSA-N 1 0 304.371 3.059 20 5 DGBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc2cnccc21 ZINC000599019483 400928618 /nfs/dbraw/zinc/92/86/18/400928618.db2.gz MFSXUBXXACJEAL-HOCLYGCPSA-N 1 0 312.373 3.182 20 5 DGBDRO CC(C)C(C)(C)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614992400 400981814 /nfs/dbraw/zinc/98/18/14/400981814.db2.gz WBYNIVSMPMYFTP-UHFFFAOYSA-N 1 0 308.378 3.138 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599089067 400956610 /nfs/dbraw/zinc/95/66/10/400956610.db2.gz XAROWZSZFCTXRP-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO CCn1cc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000358189492 285993472 /nfs/dbraw/zinc/99/34/72/285993472.db2.gz MUQPNNGQRWYWAR-AWEZNQCLSA-N 1 0 316.405 3.485 20 5 DGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000057156768 400976342 /nfs/dbraw/zinc/97/63/42/400976342.db2.gz UNFJVNOEISKYHI-CQSZACIVSA-N 1 0 321.421 3.144 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000594504674 401084529 /nfs/dbraw/zinc/08/45/29/401084529.db2.gz RSRXMHQTQJOWPM-MRXNPFEDSA-N 1 0 322.368 3.291 20 5 DGBDRO Cc1csc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000594493297 401078063 /nfs/dbraw/zinc/07/80/63/401078063.db2.gz AGDGKSKNLQFAHQ-CYBMUJFWSA-N 1 0 303.387 3.179 20 5 DGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C1CC1)C1CC1 ZINC000083169820 401112901 /nfs/dbraw/zinc/11/29/01/401112901.db2.gz DWRXWWMQPQZILA-UHFFFAOYSA-N 1 0 301.346 3.356 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000594590876 401118818 /nfs/dbraw/zinc/11/88/18/401118818.db2.gz HCXBRHLFSNHPQB-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594598798 401124106 /nfs/dbraw/zinc/12/41/06/401124106.db2.gz HYGUITHLQQKKFY-OLZOCXBDSA-N 1 0 310.785 3.072 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594599958 401125642 /nfs/dbraw/zinc/12/56/42/401125642.db2.gz KUTRQYUYDDRICV-DZGCQCFKSA-N 1 0 305.378 3.032 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594510561 401088241 /nfs/dbraw/zinc/08/82/41/401088241.db2.gz MUWDDAVQABIALL-SMDDNHRTSA-N 1 0 320.389 3.150 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCc2nc(C3CC3)ncc2C1 ZINC000599616751 401092300 /nfs/dbraw/zinc/09/23/00/401092300.db2.gz CWPFFEKSSMQMSK-GFCCVEGCSA-N 1 0 324.384 3.382 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000594517993 401094001 /nfs/dbraw/zinc/09/40/01/401094001.db2.gz GBGNLQUJKLZMDX-GDOYXMMASA-N 1 0 315.417 3.215 20 5 DGBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCCC1 ZINC000594692268 401150800 /nfs/dbraw/zinc/15/08/00/401150800.db2.gz RQCSJEDGWKWEPM-UHFFFAOYSA-N 1 0 303.284 3.297 20 5 DGBDRO Cc1ccc([C@H](C)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c(C)c1 ZINC000358269921 286017063 /nfs/dbraw/zinc/01/70/63/286017063.db2.gz DECKWRMAGXMGKZ-AWEZNQCLSA-N 1 0 302.378 3.101 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000358308145 286027181 /nfs/dbraw/zinc/02/71/81/286027181.db2.gz SIAWTHQSTDFAJO-WQVCFCJDSA-N 1 0 304.390 3.073 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000063505406 401196903 /nfs/dbraw/zinc/19/69/03/401196903.db2.gz LQVRMYAQZUOJIR-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO CCCn1nccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594941760 401201292 /nfs/dbraw/zinc/20/12/92/401201292.db2.gz UNKJVFJORKDCKZ-ZDUSSCGKSA-N 1 0 302.378 3.361 20 5 DGBDRO CCCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000063615715 401203121 /nfs/dbraw/zinc/20/31/21/401203121.db2.gz BEXZXTAVWGBBMU-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000600168200 401205703 /nfs/dbraw/zinc/20/57/03/401205703.db2.gz GWPPBMJABMSAPT-CYBMUJFWSA-N 1 0 318.373 3.448 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CC1 ZINC000594968792 401213319 /nfs/dbraw/zinc/21/33/19/401213319.db2.gz LHLMNCHJPHFDHW-LBPRGKRZSA-N 1 0 316.357 3.105 20 5 DGBDRO C[C@@H](CN1CCC(C)CC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000594978904 401217420 /nfs/dbraw/zinc/21/74/20/401217420.db2.gz CTMUMJWCZJQZMK-YERXGYGTSA-N 1 0 317.433 3.318 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H](OC)C2CCCCC2)cc1[N+](=O)[O-] ZINC000594997621 401223701 /nfs/dbraw/zinc/22/37/01/401223701.db2.gz OJIOJOLAHIUONT-KRWDZBQOSA-N 1 0 322.405 3.288 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000595009099 401229385 /nfs/dbraw/zinc/22/93/85/401229385.db2.gz CBPIVGPZXYUVPE-AGIUHOORSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000595012525 401231528 /nfs/dbraw/zinc/23/15/28/401231528.db2.gz CNYAJLLAQSMXRN-HEHGZKQESA-N 1 0 322.405 3.458 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CCSCC1 ZINC000595014452 401232073 /nfs/dbraw/zinc/23/20/73/401232073.db2.gz AJDBWXCNINNTJP-LLVKDONJSA-N 1 0 310.419 3.397 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358350136 286039405 /nfs/dbraw/zinc/03/94/05/286039405.db2.gz FVZITFYEUHQGLQ-WCQYABFASA-N 1 0 320.311 3.339 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358350135 286039486 /nfs/dbraw/zinc/03/94/86/286039486.db2.gz FVZITFYEUHQGLQ-DGCLKSJQSA-N 1 0 320.311 3.339 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH+](C)C)CCCCCC1 ZINC000359423554 286304962 /nfs/dbraw/zinc/30/49/62/286304962.db2.gz LQZVYPAPWZLFKP-UHFFFAOYSA-N 1 0 323.441 3.186 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CN(CCC[NH3+])Cc1ccccc1 ZINC000359453945 286311758 /nfs/dbraw/zinc/31/17/58/286311758.db2.gz GKYYSUNIXNXIGJ-UHFFFAOYSA-N 1 0 313.401 3.254 20 5 DGBDRO CCC(=O)c1ccc(NCC[N@@H+](C)[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000359488994 286319062 /nfs/dbraw/zinc/31/90/62/286319062.db2.gz YJQXIGVCIOZXCT-LBPRGKRZSA-N 1 0 307.394 3.330 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000297380714 286395574 /nfs/dbraw/zinc/39/55/74/286395574.db2.gz IKSFEEKSQYXUKY-HPEDKQMDSA-N 1 0 310.419 3.154 20 5 DGBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000361029784 286580967 /nfs/dbraw/zinc/58/09/67/286580967.db2.gz IXARMVFYIXCWSP-RYUDHWBXSA-N 1 0 304.346 3.104 20 5 DGBDRO Cc1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000363847233 286964876 /nfs/dbraw/zinc/96/48/76/286964876.db2.gz MPVYOYSQKKRJGL-INIZCTEOSA-N 1 0 304.390 3.152 20 5 DGBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178641601 164844779 /nfs/dbraw/zinc/84/47/79/164844779.db2.gz ROEFEVTWDFFXQR-GFCCVEGCSA-N 1 0 313.357 3.404 20 5 DGBDRO CCC1(CC)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000186562423 165050828 /nfs/dbraw/zinc/05/08/28/165050828.db2.gz OGTBORUMPXZEDU-UHFFFAOYSA-N 1 0 319.405 3.096 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186696992 165055372 /nfs/dbraw/zinc/05/53/72/165055372.db2.gz PSWLRQWDQMNUBS-IBGZPJMESA-N 1 0 324.380 3.269 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192800647 165306744 /nfs/dbraw/zinc/30/67/44/165306744.db2.gz NUTREWBQPWAUTC-WFASDCNBSA-N 1 0 305.378 3.092 20 5 DGBDRO CN1Cc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000193596296 165329490 /nfs/dbraw/zinc/32/94/90/165329490.db2.gz WKFOLIDEIRVFIO-UHFFFAOYSA-N 1 0 312.329 3.184 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000365845011 287179548 /nfs/dbraw/zinc/17/95/48/287179548.db2.gz BIAGXZVSFMTEGB-HNNXBMFYSA-N 1 0 314.389 3.362 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366026378 287201708 /nfs/dbraw/zinc/20/17/08/287201708.db2.gz UNFWGXCMZJSDOB-ZIAGYGMSSA-N 1 0 306.410 3.255 20 5 DGBDRO COc1ccc(-c2ccc(C[NH2+]CCCF)o2)c([N+](=O)[O-])c1 ZINC000136514588 432156156 /nfs/dbraw/zinc/15/61/56/432156156.db2.gz UWEMDEQRWKQSBV-UHFFFAOYSA-N 1 0 308.309 3.313 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000182237026 432170252 /nfs/dbraw/zinc/17/02/52/432170252.db2.gz UBIQHOLNJAJIGU-CJNGLKHVSA-N 1 0 323.824 3.164 20 5 DGBDRO CC1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000171834472 432177873 /nfs/dbraw/zinc/17/78/73/432177873.db2.gz AQSPJEZDEAIMIU-UHFFFAOYSA-N 1 0 306.362 3.083 20 5 DGBDRO C[N@H+](CCc1ccncc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182395442 432187108 /nfs/dbraw/zinc/18/71/08/432187108.db2.gz FIRHADYCXQYSMX-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO CC[N@H+](CCc1cccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269632509 432189960 /nfs/dbraw/zinc/18/99/60/432189960.db2.gz GBOWDDDJNMZZTJ-INIZCTEOSA-N 1 0 320.414 3.254 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1C ZINC000246942664 432182966 /nfs/dbraw/zinc/18/29/66/432182966.db2.gz QVGPCVKSGLRFSP-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2cccs2)C2CC2)c1 ZINC000269667545 432194954 /nfs/dbraw/zinc/19/49/54/432194954.db2.gz SWUAULUIKWGAEW-INIZCTEOSA-N 1 0 318.398 3.354 20 5 DGBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247053336 432196814 /nfs/dbraw/zinc/19/68/14/432196814.db2.gz MGYQKRWZBVSFDW-COCRGAERSA-N 1 0 324.446 3.325 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000269687157 432197473 /nfs/dbraw/zinc/19/74/73/432197473.db2.gz SXSHSGUAKRZKKY-QZTJIDSGSA-N 1 0 312.369 3.465 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000269949265 432225082 /nfs/dbraw/zinc/22/50/82/432225082.db2.gz GUSSAELDFIGRHR-BZUAXINKSA-N 1 0 302.374 3.032 20 5 DGBDRO CC(C)[NH+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000172550133 432219595 /nfs/dbraw/zinc/21/95/95/432219595.db2.gz NLUVLAZMGVOARZ-UHFFFAOYSA-N 1 0 304.350 3.264 20 5 DGBDRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000295602353 225034532 /nfs/dbraw/zinc/03/45/32/225034532.db2.gz CYLNRKYIFGBFHQ-VIFPVBQESA-N 1 0 310.304 3.117 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1(O)CCCC1 ZINC000290965851 222035563 /nfs/dbraw/zinc/03/55/63/222035563.db2.gz WUOYFEDXYWIFOS-UHFFFAOYSA-N 1 0 319.188 3.296 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177536494 228331081 /nfs/dbraw/zinc/33/10/81/228331081.db2.gz ZSMYXVRIESZTPW-MCIONIFRSA-N 1 0 317.389 3.044 20 5 DGBDRO Cc1cc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301697470 229832878 /nfs/dbraw/zinc/83/28/78/229832878.db2.gz BXTZAPSEZABBBH-GJZGRUSLSA-N 1 0 321.421 3.205 20 5 DGBDRO Cc1cc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000302065248 230075467 /nfs/dbraw/zinc/07/54/67/230075467.db2.gz VUUIKRXNUJFTBE-KGLIPLIRSA-N 1 0 318.421 3.363 20 5 DGBDRO C[NH+](C)C1(CNc2nccc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000413094168 230129590 /nfs/dbraw/zinc/12/95/90/230129590.db2.gz OXKRKICSIPESAZ-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO CCOC(=O)C[C@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000186719600 263661733 /nfs/dbraw/zinc/66/17/33/263661733.db2.gz SXVBPUGSBYRJQE-KRWDZBQOSA-N 1 0 322.405 3.095 20 5 DGBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000319298137 263898866 /nfs/dbraw/zinc/89/88/66/263898866.db2.gz OJEZETPVQQVSSA-PBHICJAKSA-N 1 0 306.406 3.153 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000346379904 264022117 /nfs/dbraw/zinc/02/21/17/264022117.db2.gz DIUBANQOMKKNNZ-ZDUSSCGKSA-N 1 0 322.405 3.480 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000346688343 264079954 /nfs/dbraw/zinc/07/99/54/264079954.db2.gz MYQSRNJRMAZLLV-HUUCEWRRSA-N 1 0 322.405 3.287 20 5 DGBDRO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000346809323 264101971 /nfs/dbraw/zinc/10/19/71/264101971.db2.gz GCRMSMIDSKJGSV-UKRRQHHQSA-N 1 0 318.373 3.486 20 5 DGBDRO CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC[NH2+]CC1 ZINC000347094529 264155997 /nfs/dbraw/zinc/15/59/97/264155997.db2.gz HIULEYYSSZJVKA-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)[NH2+]1 ZINC000347197750 264174165 /nfs/dbraw/zinc/17/41/65/264174165.db2.gz IAZXGFSWYNOCQW-STQMWFEESA-N 1 0 315.373 3.037 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC[C@H]1CCCO1 ZINC000347376611 264210168 /nfs/dbraw/zinc/21/01/68/264210168.db2.gz OJHYWMXRQCUUOQ-VWILAXROSA-N 1 0 304.390 3.499 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCc1nccs1 ZINC000347833037 264291739 /nfs/dbraw/zinc/29/17/39/264291739.db2.gz CBJDSSNHRMTBCM-UTCJRWHESA-N 1 0 303.387 3.287 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000348148301 264352362 /nfs/dbraw/zinc/35/23/62/264352362.db2.gz YUTUVGDNEXYNGL-ZIAGYGMSSA-N 1 0 322.405 3.287 20 5 DGBDRO CC[NH+](CC)CC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000350898635 264671468 /nfs/dbraw/zinc/67/14/68/264671468.db2.gz SFNCFMRNCQHKJV-UHFFFAOYSA-N 1 0 323.412 3.288 20 5 DGBDRO CC(C)c1ccc(CN2CCO[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000352388668 265027790 /nfs/dbraw/zinc/02/77/90/265027790.db2.gz TYBNKDQTDCMPPV-WBVHZDCISA-N 1 0 304.390 3.472 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000352400844 265033508 /nfs/dbraw/zinc/03/35/08/265033508.db2.gz VDCRGGZUQLVLIA-GOEBONIOSA-N 1 0 314.389 3.498 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000352613842 265105836 /nfs/dbraw/zinc/10/58/36/265105836.db2.gz ZIWOMVTZYJCASD-GJZGRUSLSA-N 1 0 310.369 3.369 20 5 DGBDRO C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000352715841 265139001 /nfs/dbraw/zinc/13/90/01/265139001.db2.gz GOIWGFQRBDPCEM-LBPRGKRZSA-N 1 0 310.369 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCO)CC3CC3)o2)cc1 ZINC000352787884 265167889 /nfs/dbraw/zinc/16/78/89/265167889.db2.gz LAGQDZIRKYTEKI-UHFFFAOYSA-N 1 0 316.357 3.059 20 5 DGBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352872800 265209292 /nfs/dbraw/zinc/20/92/92/265209292.db2.gz FPAFTFMLJAHTCP-OLZOCXBDSA-N 1 0 310.369 3.249 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000352888913 265215107 /nfs/dbraw/zinc/21/51/07/265215107.db2.gz WHFLROHPPZGQIY-UKRRQHHQSA-N 1 0 322.405 3.119 20 5 DGBDRO CCn1cc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000353084936 265292022 /nfs/dbraw/zinc/29/20/22/265292022.db2.gz JSQAQEJKMKTHKR-UHFFFAOYSA-N 1 0 302.378 3.224 20 5 DGBDRO CCC[N@@H+]1CCC[C@@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000353142985 265316417 /nfs/dbraw/zinc/31/64/17/265316417.db2.gz SANVONVGEIFPKL-CDVVCGDMSA-N 1 0 303.406 3.072 20 5 DGBDRO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000353816121 265559460 /nfs/dbraw/zinc/55/94/60/265559460.db2.gz LRTWYUKNYAIZKB-UHFFFAOYSA-N 1 0 314.389 3.370 20 5 DGBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1CC(O)C1 ZINC000191160674 432229680 /nfs/dbraw/zinc/22/96/80/432229680.db2.gz USOCFZHNUNAFBQ-UHFFFAOYSA-N 1 0 316.357 3.058 20 5 DGBDRO CC(C)[NH+](CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000355951946 266239034 /nfs/dbraw/zinc/23/90/34/266239034.db2.gz GDAKEZXBICZWIB-UHFFFAOYSA-N 1 0 322.409 3.177 20 5 DGBDRO COc1ccc(CN(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000356377529 266373667 /nfs/dbraw/zinc/37/36/67/266373667.db2.gz YBZLZQZAYRWUOA-UHFFFAOYSA-N 1 0 323.437 3.154 20 5 DGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000172858413 432240091 /nfs/dbraw/zinc/24/00/91/432240091.db2.gz ACFXWADBRUOYOQ-NWDGAFQWSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1nccn1CCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182917671 432242031 /nfs/dbraw/zinc/24/20/31/432242031.db2.gz JANNFISLUZRETF-AWEZNQCLSA-N 1 0 316.405 3.491 20 5 DGBDRO CCOCCO[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182921325 432242215 /nfs/dbraw/zinc/24/22/15/432242215.db2.gz ZMCLYUMNOXOCSN-HOCLYGCPSA-N 1 0 322.405 3.092 20 5 DGBDRO C[C@H]1COCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000359882209 271008016 /nfs/dbraw/zinc/00/80/16/271008016.db2.gz VKBKEQGFMJYLAJ-CYBMUJFWSA-N 1 0 316.357 3.323 20 5 DGBDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000369139849 271245276 /nfs/dbraw/zinc/24/52/76/271245276.db2.gz LVBWLWODUUBIST-UKRRQHHQSA-N 1 0 314.389 3.144 20 5 DGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000183035616 432252461 /nfs/dbraw/zinc/25/24/61/432252461.db2.gz BMJFCPSILLIMLX-QWRGUYRKSA-N 1 0 304.350 3.169 20 5 DGBDRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000183046145 432253726 /nfs/dbraw/zinc/25/37/26/432253726.db2.gz LJTZMPNPVFKYIA-AAEUAGOBSA-N 1 0 307.394 3.256 20 5 DGBDRO CC(C)[C@](C)(O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312428 273559286 /nfs/dbraw/zinc/55/92/86/273559286.db2.gz NRKYDZAHTYWWMJ-DLBZAZTESA-N 1 0 306.406 3.359 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000332012041 273589901 /nfs/dbraw/zinc/58/99/01/273589901.db2.gz SHPBXSIDBKXZPV-RBOXIYTFSA-N 1 0 304.390 3.210 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000277165308 273816434 /nfs/dbraw/zinc/81/64/34/273816434.db2.gz MCNDKMCPDQMHPX-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000453389314 274061532 /nfs/dbraw/zinc/06/15/32/274061532.db2.gz XGXIPXGSEFUXEQ-LQAWEQHXSA-N 1 0 304.390 3.375 20 5 DGBDRO CO[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293734056 274074197 /nfs/dbraw/zinc/07/41/97/274074197.db2.gz ZOKGSFCAXFYXTB-SECBINFHSA-N 1 0 306.284 3.080 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000449285820 274231426 /nfs/dbraw/zinc/23/14/26/274231426.db2.gz SVMXIHKVRVUYIN-YOEHRIQHSA-N 1 0 317.433 3.132 20 5 DGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444638758 274295460 /nfs/dbraw/zinc/29/54/60/274295460.db2.gz LVBNBXQTKYKHRR-NWDGAFQWSA-N 1 0 302.378 3.482 20 5 DGBDRO C[C@H](CCCCO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453286930 274475377 /nfs/dbraw/zinc/47/53/77/274475377.db2.gz NLGFLKWHDFLAJD-MLGOLLRUSA-N 1 0 306.406 3.458 20 5 DGBDRO C[C@H](Cn1ccnc1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279226057 274500593 /nfs/dbraw/zinc/50/05/93/274500593.db2.gz ZMBRJTSVPQNFMS-WBMJQRKESA-N 1 0 314.389 3.192 20 5 DGBDRO C[C@H]([NH2+]Cc1cc(=O)oc2ccc3ccccc3c12)[C@H]1CCOC1 ZINC000162670020 274516439 /nfs/dbraw/zinc/51/64/39/274516439.db2.gz PZWJIUBUEXWJCF-ZFWWWQNUSA-N 1 0 323.392 3.461 20 5 DGBDRO Cc1nnsc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417354083 274873080 /nfs/dbraw/zinc/87/30/80/274873080.db2.gz YTZYFPVHSVPYNL-AWEZNQCLSA-N 1 0 318.402 3.312 20 5 DGBDRO CC(=O)c1ccc(NC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000450951416 275504558 /nfs/dbraw/zinc/50/45/58/275504558.db2.gz POQKQXUAHZAFII-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@]2(C)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433120742 275868601 /nfs/dbraw/zinc/86/86/01/275868601.db2.gz OWJNFAQYJMPGSV-RDJZCZTQSA-N 1 0 304.390 3.333 20 5 DGBDRO C[NH2+]C[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000261937535 277275949 /nfs/dbraw/zinc/27/59/49/277275949.db2.gz KQVSZVHDTBNJEU-JTQLQIEISA-N 1 0 317.311 3.049 20 5 DGBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290175713 277325770 /nfs/dbraw/zinc/32/57/70/277325770.db2.gz NCOSGWPZCBWNHK-HGTKMLMNSA-N 1 0 306.406 3.319 20 5 DGBDRO CC1(C)CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447584191 278283116 /nfs/dbraw/zinc/28/31/16/278283116.db2.gz DTCNKRDGDVLMCD-MELADBBJSA-N 1 0 306.410 3.443 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000278908039 278371746 /nfs/dbraw/zinc/37/17/46/278371746.db2.gz ZWMQKXWQUJZBFF-BDJLRTHQSA-N 1 0 300.362 3.057 20 5 DGBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C)O1 ZINC000414252104 278964804 /nfs/dbraw/zinc/96/48/04/278964804.db2.gz HLWUEYYNPODUMJ-DMVWFOPNSA-N 1 0 304.390 3.375 20 5 DGBDRO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000331969052 279033285 /nfs/dbraw/zinc/03/32/85/279033285.db2.gz JMMUVHDSTRIYFI-KNXALSJPSA-N 1 0 303.406 3.047 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000280142272 279540143 /nfs/dbraw/zinc/54/01/43/279540143.db2.gz PSIDXQXKRUKNLL-NHYWBVRUSA-N 1 0 300.362 3.057 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC(C)(C)C1 ZINC000112702072 431299364 /nfs/dbraw/zinc/29/93/64/431299364.db2.gz UFWRZFBHTLGODK-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO C[C@H]1CCC[C@@](CNCc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000237529645 279683282 /nfs/dbraw/zinc/68/32/82/279683282.db2.gz LAMVMTIISNEPBM-WMLDXEAASA-N 1 0 305.422 3.195 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3O)o2)cc1 ZINC000074371017 431416652 /nfs/dbraw/zinc/41/66/52/431416652.db2.gz MRPGLIDKSVQURF-CVEARBPZSA-N 1 0 316.357 3.248 20 5 DGBDRO CC(C)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000074994098 431448243 /nfs/dbraw/zinc/44/82/43/431448243.db2.gz NMKOZOMLOPUPFL-CYBMUJFWSA-N 1 0 320.389 3.329 20 5 DGBDRO C[NH+](C)CC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000116410546 431510239 /nfs/dbraw/zinc/51/02/39/431510239.db2.gz FGVNRSUNDCMDLA-AWEZNQCLSA-N 1 0 322.409 3.083 20 5 DGBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000193525410 280044860 /nfs/dbraw/zinc/04/48/60/280044860.db2.gz JWNLFMVAYRIXCA-ACJLOTCBSA-N 1 0 319.408 3.258 20 5 DGBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000264344612 280376341 /nfs/dbraw/zinc/37/63/41/280376341.db2.gz VZWPDTFSANLXQP-OAHLLOKOSA-N 1 0 318.421 3.082 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078270583 431654023 /nfs/dbraw/zinc/65/40/23/431654023.db2.gz DMSJZMRNUQORFI-SLEUVZQESA-N 1 0 305.378 3.090 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000119404639 431689794 /nfs/dbraw/zinc/68/97/94/431689794.db2.gz SLEURZTVFYLEDP-YTEVENLXSA-N 1 0 318.398 3.183 20 5 DGBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420200896 280567563 /nfs/dbraw/zinc/56/75/63/280567563.db2.gz ZTGUNXSNPDMDDZ-MWLCHTKSSA-N 1 0 317.311 3.096 20 5 DGBDRO CC(C)CO[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000119551343 431707732 /nfs/dbraw/zinc/70/77/32/431707732.db2.gz GWRGXFIKKSLRPD-QGZVFWFLSA-N 1 0 322.405 3.111 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000122839132 431846537 /nfs/dbraw/zinc/84/65/37/431846537.db2.gz SNAUZOHTZMPHAH-CYBMUJFWSA-N 1 0 303.406 3.181 20 5 DGBDRO C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292359436 288264845 /nfs/dbraw/zinc/26/48/45/288264845.db2.gz RHAOHWREQZBERZ-LBPRGKRZSA-N 1 0 307.369 3.045 20 5 DGBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000035084420 431824166 /nfs/dbraw/zinc/82/41/66/431824166.db2.gz YRFBWJXKARFCFR-UHFFFAOYSA-N 1 0 305.300 3.367 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447508557 280832287 /nfs/dbraw/zinc/83/22/87/280832287.db2.gz KTOCWKDONRVYAC-HOTGVXAUSA-N 1 0 314.389 3.373 20 5 DGBDRO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CC1 ZINC000089897613 431884677 /nfs/dbraw/zinc/88/46/77/431884677.db2.gz GBMNHOFMZBOWHC-UHFFFAOYSA-N 1 0 301.346 3.482 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ncccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000090408390 431891342 /nfs/dbraw/zinc/89/13/42/431891342.db2.gz CNYLGMGDUDPYEN-LLVKDONJSA-N 1 0 321.764 3.373 20 5 DGBDRO C[C@H](c1ccncc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000127529004 431975130 /nfs/dbraw/zinc/97/51/30/431975130.db2.gz HCHDHERRFOJEAU-CYBMUJFWSA-N 1 0 301.346 3.062 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125514086 431927971 /nfs/dbraw/zinc/92/79/71/431927971.db2.gz SDQWQKUAJLFONZ-HNNXBMFYSA-N 1 0 305.422 3.102 20 5 DGBDRO C[C@@H]1[C@H](C)OCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126527298 431952005 /nfs/dbraw/zinc/95/20/05/431952005.db2.gz GWFFJRPURKOFJH-OLZOCXBDSA-N 1 0 316.357 3.464 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301770009 281260509 /nfs/dbraw/zinc/26/05/09/281260509.db2.gz IWIQNBZDOPKMQH-GOEBONIOSA-N 1 0 315.417 3.356 20 5 DGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000191587501 432280461 /nfs/dbraw/zinc/28/04/61/432280461.db2.gz JKBSLJDQERJDJV-RHSMWYFYSA-N 1 0 314.385 3.157 20 5 DGBDRO CC[NH+](CC)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000183291028 432280943 /nfs/dbraw/zinc/28/09/43/432280943.db2.gz SFDVPOWAYKLRBR-UHFFFAOYSA-N 1 0 318.320 3.089 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000151863366 432284020 /nfs/dbraw/zinc/28/40/20/432284020.db2.gz GFUCBUFJDNCJQF-HIFRSBDPSA-N 1 0 305.422 3.428 20 5 DGBDRO O=C(CC[N@@H+]1CCC2(CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173830326 432302865 /nfs/dbraw/zinc/30/28/65/432302865.db2.gz QMOGFUJTSHLAOR-UHFFFAOYSA-N 1 0 317.389 3.190 20 5 DGBDRO CCCC1CCC([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000191425877 432263524 /nfs/dbraw/zinc/26/35/24/432263524.db2.gz IDDIZLYWEZNIBR-UHFFFAOYSA-N 1 0 321.421 3.047 20 5 DGBDRO CC[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)N1CCCC1 ZINC000151686718 432267128 /nfs/dbraw/zinc/26/71/28/432267128.db2.gz AYAXTBXKZNGBMY-HUUCEWRRSA-N 1 0 305.422 3.428 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(CO)CC2)o1 ZINC000271046504 432320092 /nfs/dbraw/zinc/32/00/92/432320092.db2.gz QYKGZEPBTJEWAL-UHFFFAOYSA-N 1 0 316.357 3.059 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@H]1CO)CCC2 ZINC000249034728 432334132 /nfs/dbraw/zinc/33/41/32/432334132.db2.gz SBGXOVUSXBXPCM-RRQGHBQHSA-N 1 0 304.390 3.113 20 5 DGBDRO CCOCCCC[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000271133341 432335480 /nfs/dbraw/zinc/33/54/80/432335480.db2.gz MJWKYNRKWFYADB-ZDUSSCGKSA-N 1 0 310.394 3.461 20 5 DGBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000271332192 432375819 /nfs/dbraw/zinc/37/58/19/432375819.db2.gz NDOIQPLCYYJKSP-MLGOLLRUSA-N 1 0 316.357 3.058 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000174921824 432380751 /nfs/dbraw/zinc/38/07/51/432380751.db2.gz LRFJXDVLIMWGGM-OLZOCXBDSA-N 1 0 314.389 3.428 20 5 DGBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000184403464 432387140 /nfs/dbraw/zinc/38/71/40/432387140.db2.gz JSYXMFMYTMXEQG-AWEZNQCLSA-N 1 0 321.402 3.479 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000271423252 432393067 /nfs/dbraw/zinc/39/30/67/432393067.db2.gz CDOJOOCGMGWRFK-CZUORRHYSA-N 1 0 302.378 3.311 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271438273 432395362 /nfs/dbraw/zinc/39/53/62/432395362.db2.gz BPDQRMQRFBZNIO-AAEUAGOBSA-N 1 0 316.361 3.408 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000271468667 432401765 /nfs/dbraw/zinc/40/17/65/432401765.db2.gz LJBWZLFPAGWEKR-BLLLJJGKSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000192963127 432434181 /nfs/dbraw/zinc/43/41/81/432434181.db2.gz GOVBYMZKZFSWRK-YVEFUNNKSA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000153833620 432446631 /nfs/dbraw/zinc/44/66/31/432446631.db2.gz UPOSCQFFSOFMHB-SECBINFHSA-N 1 0 300.790 3.031 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000271506441 432409653 /nfs/dbraw/zinc/40/96/53/432409653.db2.gz LIVLLMZWKQKHSB-RHSMWYFYSA-N 1 0 322.405 3.287 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192800547 432417580 /nfs/dbraw/zinc/41/75/80/432417580.db2.gz NYUNWYDBTGCJJZ-CHWSQXEVSA-N 1 0 305.378 3.092 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)CCC2 ZINC000192891845 432425957 /nfs/dbraw/zinc/42/59/57/432425957.db2.gz FDLKURAXZXBMOG-XYPHTWIQSA-N 1 0 304.390 3.113 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cccc1[N+](=O)[O-] ZINC000154097956 432471122 /nfs/dbraw/zinc/47/11/22/432471122.db2.gz XRVQBNZOROHZEN-BBRMVZONSA-N 1 0 317.389 3.450 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C[NH2+]1 ZINC000262048345 432471585 /nfs/dbraw/zinc/47/15/85/432471585.db2.gz PZCDPLFWZKQNDA-CHWSQXEVSA-N 1 0 315.373 3.037 20 5 DGBDRO COc1ncccc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000193408789 432472402 /nfs/dbraw/zinc/47/24/02/432472402.db2.gz JEKUIGZHFIGTPK-UHFFFAOYSA-N 1 0 313.357 3.163 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000154264595 432486769 /nfs/dbraw/zinc/48/67/69/432486769.db2.gz ONHHPVWHCWQAST-GFCCVEGCSA-N 1 0 314.341 3.312 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000176047020 432488923 /nfs/dbraw/zinc/48/89/23/432488923.db2.gz OJQISVJAMQMPRP-NSHDSACASA-N 1 0 300.314 3.174 20 5 DGBDRO CC(C)(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000176214730 432500790 /nfs/dbraw/zinc/50/07/90/432500790.db2.gz FKGYMHSEVVWULB-HNNXBMFYSA-N 1 0 302.378 3.168 20 5 DGBDRO CC(C)(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000176214717 432501598 /nfs/dbraw/zinc/50/15/98/432501598.db2.gz FKGYMHSEVVWULB-OAHLLOKOSA-N 1 0 302.378 3.168 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000262008918 432467929 /nfs/dbraw/zinc/46/79/29/432467929.db2.gz WCJNLKDESPSFAR-HNNXBMFYSA-N 1 0 323.824 3.212 20 5 DGBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000273120712 432553848 /nfs/dbraw/zinc/55/38/48/432553848.db2.gz ZHNWMLVUFYYPGK-CABCVRRESA-N 1 0 310.781 3.295 20 5 DGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185611055 432514261 /nfs/dbraw/zinc/51/42/61/432514261.db2.gz JKTHOIUMUNZHNB-NHYWBVRUSA-N 1 0 306.362 3.082 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCCO)c2ccccc2)c1 ZINC000194213212 432533574 /nfs/dbraw/zinc/53/35/74/432533574.db2.gz LBDMYMBTGKTRJC-QGZVFWFLSA-N 1 0 300.358 3.046 20 5 DGBDRO CC(C)(C)[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000219369449 432662040 /nfs/dbraw/zinc/66/20/40/432662040.db2.gz YKPVVWSRFHVXMT-UHFFFAOYSA-N 1 0 305.300 3.414 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177860986 432667947 /nfs/dbraw/zinc/66/79/47/432667947.db2.gz MLVQIZDTWIXXSY-GFCCVEGCSA-N 1 0 308.378 3.329 20 5 DGBDRO CC[C@H](C)N(C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160064324 432704274 /nfs/dbraw/zinc/70/42/74/432704274.db2.gz TVCNZAULTDSVFP-YOEHRIQHSA-N 1 0 319.449 3.236 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230144206 432724974 /nfs/dbraw/zinc/72/49/74/432724974.db2.gz NFXYLQGNZYLAIB-NSHDSACASA-N 1 0 300.786 3.137 20 5 DGBDRO Cc1ccnc(NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000265231544 432678013 /nfs/dbraw/zinc/67/80/13/432678013.db2.gz NAHHQAOKGLNDGQ-GFCCVEGCSA-N 1 0 306.391 3.075 20 5 DGBDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000188823201 432747122 /nfs/dbraw/zinc/74/71/22/432747122.db2.gz ORWXLNKTNNYTNT-OAGGEKHMSA-N 1 0 304.390 3.073 20 5 DGBDRO Cc1c([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000161073158 432758451 /nfs/dbraw/zinc/75/84/51/432758451.db2.gz LPNLLLOYIKHTRS-ILXRZTDVSA-N 1 0 305.422 3.427 20 5 DGBDRO COc1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000162326315 432820760 /nfs/dbraw/zinc/82/07/60/432820760.db2.gz VOJULLVRNJVMOV-UHFFFAOYSA-N 1 0 322.405 3.383 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000277308323 432836227 /nfs/dbraw/zinc/83/62/27/432836227.db2.gz UNECEFPBRREWCC-ZDUSSCGKSA-N 1 0 311.813 3.164 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000245504539 432838067 /nfs/dbraw/zinc/83/80/67/432838067.db2.gz KJXSBQSNHDQYSM-DUVNUKRYSA-N 1 0 322.405 3.195 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000161755611 432797515 /nfs/dbraw/zinc/79/75/15/432797515.db2.gz NNVBRZICESUANJ-CYBMUJFWSA-N 1 0 320.389 3.240 20 5 DGBDRO Cc1cc(NC2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000267043711 432808654 /nfs/dbraw/zinc/80/86/54/432808654.db2.gz MPDDYLOULLGXOF-UHFFFAOYSA-N 1 0 321.421 3.205 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000245941776 432871031 /nfs/dbraw/zinc/87/10/31/432871031.db2.gz RBJXYNHUSOMHDS-NWDGAFQWSA-N 1 0 316.361 3.123 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000296247047 432888210 /nfs/dbraw/zinc/88/82/10/432888210.db2.gz CTLXNPIVKLTEHM-STQMWFEESA-N 1 0 310.394 3.195 20 5 DGBDRO CCOc1cc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000296297833 432894331 /nfs/dbraw/zinc/89/43/31/432894331.db2.gz ZOJLIBNYRHDJNF-INIZCTEOSA-N 1 0 322.405 3.240 20 5 DGBDRO COCCO[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245525695 432840254 /nfs/dbraw/zinc/84/02/54/432840254.db2.gz OPKBYJLXQUHIPR-GDBMZVCRSA-N 1 0 322.405 3.092 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CC2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279013244 432926378 /nfs/dbraw/zinc/92/63/78/432926378.db2.gz HCNMVFYBMPHQRR-MRXNPFEDSA-N 1 0 304.390 3.333 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000296821096 432927844 /nfs/dbraw/zinc/92/78/44/432927844.db2.gz VQXNOFCJYYJBHJ-QFYYESIMSA-N 1 0 322.311 3.257 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)cccc1[N+](=O)[O-] ZINC000279056000 432929911 /nfs/dbraw/zinc/92/99/11/432929911.db2.gz YLJFGKBGMIBHCM-KGLIPLIRSA-N 1 0 314.389 3.013 20 5 DGBDRO Cc1ccnc(C)c1NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296876783 432934455 /nfs/dbraw/zinc/93/44/55/432934455.db2.gz CCVHVAFSGFUEOJ-NSHDSACASA-N 1 0 314.345 3.489 20 5 DGBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000331292509 432938185 /nfs/dbraw/zinc/93/81/85/432938185.db2.gz QJKDCMMQJAXRPX-UEKVPHQBSA-N 1 0 312.797 3.230 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000289280805 432941073 /nfs/dbraw/zinc/94/10/73/432941073.db2.gz GCQDBNBJPGWVLE-KRWDZBQOSA-N 1 0 311.385 3.412 20 5 DGBDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279182102 432943209 /nfs/dbraw/zinc/94/32/09/432943209.db2.gz VQRZMNHHITULEB-WYBPPOBZSA-N 1 0 324.446 3.064 20 5 DGBDRO Cc1ccncc1CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289342885 432947131 /nfs/dbraw/zinc/94/71/31/432947131.db2.gz ICNPGIPTGKZSLR-UHFFFAOYSA-N 1 0 313.401 3.405 20 5 DGBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000288769570 432896712 /nfs/dbraw/zinc/89/67/12/432896712.db2.gz JMNJIGZEMDZLFK-OAHLLOKOSA-N 1 0 312.797 3.233 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000296361657 432899684 /nfs/dbraw/zinc/89/96/84/432899684.db2.gz ITFXCVDQDNEEJA-NEPJUHHUSA-N 1 0 310.394 3.194 20 5 DGBDRO C[C@@H](O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000278786957 432900313 /nfs/dbraw/zinc/90/03/13/432900313.db2.gz ZURGONJOCWHWOQ-GFCCVEGCSA-N 1 0 304.346 3.105 20 5 DGBDRO CCC[C@@]1(CO)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000288939353 432907841 /nfs/dbraw/zinc/90/78/41/432907841.db2.gz WRBNMUWTKVEHKW-OAHLLOKOSA-N 1 0 312.797 3.233 20 5 DGBDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000296554347 432921822 /nfs/dbraw/zinc/92/18/22/432921822.db2.gz CBWXHOZJDUHJRO-CPUCHLNUSA-N 1 0 314.389 3.058 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341132992 432971199 /nfs/dbraw/zinc/97/11/99/432971199.db2.gz WLVNZCNHJVKPSF-JTQLQIEISA-N 1 0 323.422 3.132 20 5 DGBDRO Cc1cnn([C@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000290033938 432982122 /nfs/dbraw/zinc/98/21/22/432982122.db2.gz VZLVHGWRQSCZLK-ZBFHGGJFSA-N 1 0 314.389 3.416 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC(C)(C)C1 ZINC000332253562 432992138 /nfs/dbraw/zinc/99/21/38/432992138.db2.gz YHDAQSFUWLUVCX-LBPRGKRZSA-N 1 0 320.389 3.329 20 5 DGBDRO Cc1c(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000332352091 433000334 /nfs/dbraw/zinc/00/03/34/433000334.db2.gz SSKKIOCBYNMLHL-OAHLLOKOSA-N 1 0 314.389 3.016 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@H](O)c2ccccc2)c1 ZINC000289405924 432955139 /nfs/dbraw/zinc/95/51/39/432955139.db2.gz HEXQQQLNRQXXPL-INIZCTEOSA-N 1 0 320.776 3.462 20 5 DGBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000349783230 433007743 /nfs/dbraw/zinc/00/77/43/433007743.db2.gz AJULXVPCKMMHEQ-PYLYLYNFSA-N 1 0 316.357 3.272 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332669619 433011195 /nfs/dbraw/zinc/01/11/95/433011195.db2.gz DTNYVGWDBZTWAI-ZLIFDBKOSA-N 1 0 306.406 3.359 20 5 DGBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000341277078 433014528 /nfs/dbraw/zinc/01/45/28/433014528.db2.gz SQMBZVDFASRBGR-HYXAFXHYSA-N 1 0 322.368 3.317 20 5 DGBDRO CCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297841717 433023398 /nfs/dbraw/zinc/02/33/98/433023398.db2.gz KPFKLJJCYKJVFP-LBPRGKRZSA-N 1 0 323.393 3.052 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420197404 433121559 /nfs/dbraw/zinc/12/15/59/433121559.db2.gz JPVHFSYJQHGUCP-ZJUUUORDSA-N 1 0 316.188 3.232 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]2CCCO[C@@H]21 ZINC000350284515 433126199 /nfs/dbraw/zinc/12/61/99/433126199.db2.gz AUVVXMKYFUWYGP-YUELXQCFSA-N 1 0 308.353 3.027 20 5 DGBDRO CCC[C@]1(CO)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000446904458 433127625 /nfs/dbraw/zinc/12/76/25/433127625.db2.gz APPPSUPKOXIYAV-ZGRWHYIRSA-N 1 0 304.390 3.235 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c(F)c1 ZINC000350311269 433129728 /nfs/dbraw/zinc/12/97/28/433129728.db2.gz GYJSNRHIZNXVMR-ZDUSSCGKSA-N 1 0 308.353 3.315 20 5 DGBDRO [NH3+]C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CCCC1 ZINC000420264648 433140765 /nfs/dbraw/zinc/14/07/65/433140765.db2.gz BDLQRFYULPVBEM-LLVKDONJSA-N 1 0 315.320 3.126 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000453390208 433142431 /nfs/dbraw/zinc/14/24/31/433142431.db2.gz YCDIDMCPXYZKDA-NVGCLXPQSA-N 1 0 322.405 3.458 20 5 DGBDRO CC(=O)c1cc(NC[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000341570473 433142730 /nfs/dbraw/zinc/14/27/30/433142730.db2.gz GFYAMOVQZVWHOC-ZDUSSCGKSA-N 1 0 319.405 3.331 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC2(CC)COC2)cc1[N+](=O)[O-] ZINC000453390568 433143515 /nfs/dbraw/zinc/14/35/15/433143515.db2.gz YHROUWKXIGJPMW-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO CCC(=O)c1ccc(NCCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000280703441 433143555 /nfs/dbraw/zinc/14/35/55/433143555.db2.gz KLWWIJMMNRBIHR-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453340989 433102004 /nfs/dbraw/zinc/10/20/04/433102004.db2.gz HKIFHEXMHKXSLP-BYNSBNAKSA-N 1 0 306.410 3.157 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C ZINC000446841417 433114424 /nfs/dbraw/zinc/11/44/24/433114424.db2.gz PLHVCROBSJXJDP-UHFFFAOYSA-N 1 0 310.357 3.378 20 5 DGBDRO C[C@H]([NH3+])[C@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420182618 433120209 /nfs/dbraw/zinc/12/02/09/433120209.db2.gz GJVNCPWYQMQOTO-IUCAKERBSA-N 1 0 318.204 3.465 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NCCC[NH+]1CCCCC1)CCC2 ZINC000447515147 433209859 /nfs/dbraw/zinc/20/98/59/433209859.db2.gz JMTHXQXLRSMTOH-GOSISDBHSA-N 1 0 317.433 3.438 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H](C)O ZINC000290809515 433175344 /nfs/dbraw/zinc/17/53/44/433175344.db2.gz GBCQGELYDBDQKB-BDAKNGLRSA-N 1 0 321.204 3.398 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453447031 433191140 /nfs/dbraw/zinc/19/11/40/433191140.db2.gz YXQQTELHBZVDIQ-ZIAGYGMSSA-N 1 0 306.406 3.321 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000374445205 433191900 /nfs/dbraw/zinc/19/19/00/433191900.db2.gz XVZDOTIBQPZWRK-ZBFHGGJFSA-N 1 0 314.389 3.306 20 5 DGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC(C)(C)C1 ZINC000361471839 433193125 /nfs/dbraw/zinc/19/31/25/433193125.db2.gz VHIOJXWGOFWPCG-GFCCVEGCSA-N 1 0 302.378 3.482 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1CCOCC1)CCC2 ZINC000447526041 433211332 /nfs/dbraw/zinc/21/13/32/433211332.db2.gz CATGWUPGOQDOPZ-KRWDZBQOSA-N 1 0 304.390 3.379 20 5 DGBDRO COC[C@@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290942805 433211405 /nfs/dbraw/zinc/21/14/05/433211405.db2.gz UGJNSVSOWNXYMV-QMMMGPOBSA-N 1 0 307.177 3.274 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447602871 433245844 /nfs/dbraw/zinc/24/58/44/433245844.db2.gz VWMVUMRDVQLWAZ-OUAUKWLOSA-N 1 0 320.315 3.063 20 5 DGBDRO O=C(C[N@H+](CC1CC1)CC1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000361570451 433255012 /nfs/dbraw/zinc/25/50/12/433255012.db2.gz CFJUYHIXBGKOIY-UHFFFAOYSA-N 1 0 317.389 3.045 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC1CC1)C1CCC1 ZINC000361571211 433255765 /nfs/dbraw/zinc/25/57/65/433255765.db2.gz IOKPOLSUIJONBG-UHFFFAOYSA-N 1 0 317.389 3.106 20 5 DGBDRO COCC1(C)CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000354761110 433261489 /nfs/dbraw/zinc/26/14/89/433261489.db2.gz JZDHBGSKWIVSKX-FNORWQNLSA-N 1 0 304.390 3.357 20 5 DGBDRO Cc1ccc([C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000350724570 433266096 /nfs/dbraw/zinc/26/60/96/433266096.db2.gz LWWPPVARUCSXTJ-CQSZACIVSA-N 1 0 302.378 3.101 20 5 DGBDRO CC1(C)C[C@@H](c2ccccc2)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000425538329 433290520 /nfs/dbraw/zinc/29/05/20/433290520.db2.gz IPBUHYJXSNTQEM-HNNXBMFYSA-N 1 0 314.389 3.265 20 5 DGBDRO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[C@H](C)C1 ZINC000361645401 433311143 /nfs/dbraw/zinc/31/11/43/433311143.db2.gz RRCSASNDEMGDIR-ZFWWWQNUSA-N 1 0 322.405 3.240 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000448023208 433344804 /nfs/dbraw/zinc/34/48/04/433344804.db2.gz SFBDVMZBBMQEFK-NEPJUHHUSA-N 1 0 310.419 3.397 20 5 DGBDRO C[NH+](C)CC1(Nc2ccc([N+](=O)[O-])c3cnccc23)CCC1 ZINC000281760143 433371414 /nfs/dbraw/zinc/37/14/14/433371414.db2.gz GDYQICBFKDBXRJ-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000414065087 433371717 /nfs/dbraw/zinc/37/17/17/433371717.db2.gz GMQHKOUEGAUQML-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000361674238 433333806 /nfs/dbraw/zinc/33/38/06/433333806.db2.gz CSKIAULAJDBQQE-OAHLLOKOSA-N 1 0 304.390 3.400 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1CCOC[C@H]1OCC)c1cccc([N+](=O)[O-])c1 ZINC000354977840 433387835 /nfs/dbraw/zinc/38/78/35/433387835.db2.gz GNUKRNVQNCJDIG-GVDBMIGSSA-N 1 0 322.405 3.220 20 5 DGBDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000421022534 433389768 /nfs/dbraw/zinc/38/97/68/433389768.db2.gz QMSRLTMBNRFUSQ-MRXNPFEDSA-N 1 0 314.389 3.059 20 5 DGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000300633630 433394503 /nfs/dbraw/zinc/39/45/03/433394503.db2.gz BFAUYKQOHXTFJG-WFASDCNBSA-N 1 0 310.419 3.367 20 5 DGBDRO C[NH+](C)[C@@H](CNc1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000301057161 433398284 /nfs/dbraw/zinc/39/82/84/433398284.db2.gz AJEUKTHQVQHUQI-CQSZACIVSA-N 1 0 317.364 3.319 20 5 DGBDRO C[N@H+](CCOCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000354994687 433398813 /nfs/dbraw/zinc/39/88/13/433398813.db2.gz SFTZHLZXGNFUQZ-UHFFFAOYSA-N 1 0 300.358 3.243 20 5 DGBDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000375264328 433401634 /nfs/dbraw/zinc/40/16/34/433401634.db2.gz ABOXINSYXBMTGY-UHFFFAOYSA-N 1 0 314.389 3.314 20 5 DGBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000301084476 433404406 /nfs/dbraw/zinc/40/44/06/433404406.db2.gz DGULWPLKNRHQIF-SNVBAGLBSA-N 1 0 317.311 3.367 20 5 DGBDRO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122133376 289974190 /nfs/dbraw/zinc/97/41/90/289974190.db2.gz JSPYKHDCPAHRAO-SWLSCSKDSA-N 1 0 303.362 3.141 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296152070 290055728 /nfs/dbraw/zinc/05/57/28/290055728.db2.gz WADMMCVHHAHRAO-GAFUQQFSSA-N 1 0 318.295 3.355 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000282040959 433476073 /nfs/dbraw/zinc/47/60/73/433476073.db2.gz LNGXNESKFUBKLJ-SMDDNHRTSA-N 1 0 305.378 3.010 20 5 DGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332026369 290368370 /nfs/dbraw/zinc/36/83/70/290368370.db2.gz UCFNJXZTLFDIJR-NSHDSACASA-N 1 0 306.362 3.224 20 5 DGBDRO CC[C@@H](C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000421390447 433532792 /nfs/dbraw/zinc/53/27/92/433532792.db2.gz UVKBNUJJBJMENZ-DOMZBBRYSA-N 1 0 302.378 3.053 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000342130315 433488042 /nfs/dbraw/zinc/48/80/42/433488042.db2.gz NXJRQXYOGUTEGW-OAHLLOKOSA-N 1 0 319.405 3.474 20 5 DGBDRO Cc1cc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301412782 433540857 /nfs/dbraw/zinc/54/08/57/433540857.db2.gz AHGKHNDMCNWRJO-CHWSQXEVSA-N 1 0 306.410 3.078 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000375615987 433508024 /nfs/dbraw/zinc/50/80/24/433508024.db2.gz CCDSJMXQWOIJHH-HNNXBMFYSA-N 1 0 316.361 3.054 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000426467607 433508927 /nfs/dbraw/zinc/50/89/27/433508927.db2.gz HIWHRIUIVVVAHR-CJNGLKHVSA-N 1 0 317.389 3.106 20 5 DGBDRO Cc1cc(NCCC[N@@H+](C)C2CCCCC2)ncc1[N+](=O)[O-] ZINC000301429681 433550400 /nfs/dbraw/zinc/55/04/00/433550400.db2.gz NUVJKQZHHZHTSL-UHFFFAOYSA-N 1 0 306.410 3.365 20 5 DGBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[C@H](C)C1 ZINC000362157528 433553862 /nfs/dbraw/zinc/55/38/62/433553862.db2.gz PTZJJTXWRQWFDX-DZGCQCFKSA-N 1 0 322.405 3.240 20 5 DGBDRO Cc1cc(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301437140 433554466 /nfs/dbraw/zinc/55/44/66/433554466.db2.gz MVSNBCMMEWDDSR-KBPBESRZSA-N 1 0 320.437 3.468 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421399039 433542204 /nfs/dbraw/zinc/54/22/04/433542204.db2.gz PHVHFCNORCGSEU-IJVDHGTGSA-N 1 0 304.390 3.093 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000301628561 433646100 /nfs/dbraw/zinc/64/61/00/433646100.db2.gz IBPNXOLIYQVLHK-GJZGRUSLSA-N 1 0 321.421 3.205 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)C1 ZINC000301524340 433596476 /nfs/dbraw/zinc/59/64/76/433596476.db2.gz IHXIFUXOXCXFJK-GFCCVEGCSA-N 1 0 311.813 3.335 20 5 DGBDRO C[N@H+](CCNc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301571443 433619398 /nfs/dbraw/zinc/61/93/98/433619398.db2.gz XBSLHZWDGMOFQZ-UHFFFAOYSA-N 1 0 303.337 3.278 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000366278741 292930966 /nfs/dbraw/zinc/93/09/66/292930966.db2.gz CYWJVPXMEOFQSJ-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCO)Cc2ccccc2)cc1F ZINC000283112235 433668799 /nfs/dbraw/zinc/66/87/99/433668799.db2.gz MLFUAOXROOCYBY-UHFFFAOYSA-N 1 0 318.348 3.119 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1COc2ccccc21 ZINC000342420324 433680920 /nfs/dbraw/zinc/68/09/20/433680920.db2.gz KNBDAFNTGROQSS-ZQMJAJRESA-N 1 0 310.353 3.374 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000301720855 433696029 /nfs/dbraw/zinc/69/60/29/433696029.db2.gz QBSMDZVHCLJBMR-BXUZGUMPSA-N 1 0 309.797 3.169 20 5 DGBDRO CC(C)C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000301742006 433704129 /nfs/dbraw/zinc/70/41/29/433704129.db2.gz LNBCRHNSLGAEPJ-LLVKDONJSA-N 1 0 300.790 3.031 20 5 DGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301748827 433708928 /nfs/dbraw/zinc/70/89/28/433708928.db2.gz SPBHTQMSGCAZET-QWRGUYRKSA-N 1 0 312.801 3.176 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000373287266 293256996 /nfs/dbraw/zinc/25/69/96/293256996.db2.gz USDVCXNIGQZVTL-UHFFFAOYSA-N 1 0 320.780 3.282 20 5 DGBDRO Cc1c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000374165946 293360343 /nfs/dbraw/zinc/36/03/43/293360343.db2.gz VAHOPTWEZLNFPX-UHFFFAOYSA-N 1 0 317.433 3.211 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)OCO2 ZINC000449063772 433718735 /nfs/dbraw/zinc/71/87/35/433718735.db2.gz NRICUXBELBJDSO-GFCCVEGCSA-N 1 0 314.341 3.044 20 5 DGBDRO CCSCC[C@H](C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000362455709 433727313 /nfs/dbraw/zinc/72/73/13/433727313.db2.gz SWFXKICWHKTABX-ZDUSSCGKSA-N 1 0 312.435 3.437 20 5 DGBDRO CCc1cccnc1[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000356852354 433732266 /nfs/dbraw/zinc/73/22/66/433732266.db2.gz RLAAXVNMQWYPGB-LBPRGKRZSA-N 1 0 315.373 3.412 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1nccn1C)C1CC1 ZINC000449317787 433740615 /nfs/dbraw/zinc/74/06/15/433740615.db2.gz CBFZRQVCNLYLAA-WBMJQRKESA-N 1 0 314.389 3.000 20 5 DGBDRO CC(C)(CO)[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000339731305 433749439 /nfs/dbraw/zinc/74/94/39/433749439.db2.gz ZWELRSITFRSITF-CQSZACIVSA-N 1 0 312.797 3.135 20 5 DGBDRO CC(C)(CO)[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000339731303 433749733 /nfs/dbraw/zinc/74/97/33/433749733.db2.gz ZWELRSITFRSITF-AWEZNQCLSA-N 1 0 312.797 3.135 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3cccnc3CC2)c1 ZINC000421833512 433759328 /nfs/dbraw/zinc/75/93/28/433759328.db2.gz ITZHKYKSJNUYGX-INIZCTEOSA-N 1 0 311.385 3.070 20 5 DGBDRO C[C@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000375120540 293487673 /nfs/dbraw/zinc/48/76/73/293487673.db2.gz KULFXDOZXIVRJN-UKZKYTFVSA-N 1 0 316.401 3.403 20 5 DGBDRO [NH3+]C[C@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414666298 433778714 /nfs/dbraw/zinc/77/87/14/433778714.db2.gz WBDGYCDDVRPIHK-CQSZACIVSA-N 1 0 317.414 3.246 20 5 DGBDRO COc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000301911351 433791787 /nfs/dbraw/zinc/79/17/87/433791787.db2.gz CJIQHOOALXYQTR-JTQLQIEISA-N 1 0 313.373 3.131 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449784978 433798004 /nfs/dbraw/zinc/79/80/04/433798004.db2.gz DEFFRQFWSAVDMM-CQSZACIVSA-N 1 0 311.813 3.163 20 5 DGBDRO O=[N+]([O-])c1ccsc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000301930540 433798206 /nfs/dbraw/zinc/79/82/06/433798206.db2.gz KRVPZWWBHMHQFK-GFCCVEGCSA-N 1 0 307.375 3.498 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000449789492 433805591 /nfs/dbraw/zinc/80/55/91/433805591.db2.gz ZYSUUTZBLWKVCV-KAPURRDVSA-N 1 0 317.433 3.413 20 5 DGBDRO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000302041423 433812803 /nfs/dbraw/zinc/81/28/03/433812803.db2.gz WMRAZFGXJQYCCJ-MRXNPFEDSA-N 1 0 314.389 3.204 20 5 DGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000293694784 433834700 /nfs/dbraw/zinc/83/47/00/433834700.db2.gz LLONRCOEOCYKRQ-BBRMVZONSA-N 1 0 321.421 3.188 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCC[NH2+]3)s2)cc1 ZINC000414843198 433878379 /nfs/dbraw/zinc/87/83/79/433878379.db2.gz JOEHVUAVGRYKMP-CYBMUJFWSA-N 1 0 317.414 3.165 20 5 DGBDRO Cc1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n(C)n1 ZINC000284474977 433899165 /nfs/dbraw/zinc/89/91/65/433899165.db2.gz UNYWWYGWKITOAX-INIZCTEOSA-N 1 0 314.389 3.149 20 5 DGBDRO CC(C)c1ccc(CNC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414901276 433910011 /nfs/dbraw/zinc/91/00/11/433910011.db2.gz JMHNIDYJMAYDSJ-KRWDZBQOSA-N 1 0 305.422 3.198 20 5 DGBDRO CC(C)c1ccc(C[N@H+](C)CCc2cnccn2)cc1[N+](=O)[O-] ZINC000357211136 433911942 /nfs/dbraw/zinc/91/19/42/433911942.db2.gz FENAAVWSGPSHBT-UHFFFAOYSA-N 1 0 314.389 3.183 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCCO)Cc2ccccc2)cc1 ZINC000362951940 433925158 /nfs/dbraw/zinc/92/51/58/433925158.db2.gz OXSFHSWQJWKSSG-UHFFFAOYSA-N 1 0 314.385 3.022 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000362959788 433931251 /nfs/dbraw/zinc/93/12/51/433931251.db2.gz FBYHBLORMQGLGB-AWEZNQCLSA-N 1 0 306.410 3.263 20 5 DGBDRO CCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(OCC)c2)CCOC1 ZINC000285380911 433932459 /nfs/dbraw/zinc/93/24/59/433932459.db2.gz BLGRNRAFQKVWHW-INIZCTEOSA-N 1 0 308.378 3.042 20 5 DGBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284309315 433880642 /nfs/dbraw/zinc/88/06/42/433880642.db2.gz ZECAKFSCDQAKMP-NXEZZACHSA-N 1 0 318.377 3.064 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNc1ccccn1 ZINC000344871841 433888244 /nfs/dbraw/zinc/88/82/44/433888244.db2.gz ZFADHPUTVKYFFA-KAMYIIQDSA-N 1 0 312.373 3.095 20 5 DGBDRO Cc1ccnc(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000303677459 433956409 /nfs/dbraw/zinc/95/64/09/433956409.db2.gz JFSFUVVSNBTREO-HNNXBMFYSA-N 1 0 320.437 3.467 20 5 DGBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000303725665 433963915 /nfs/dbraw/zinc/96/39/15/433963915.db2.gz STHFZFAPKNDQHH-OLZOCXBDSA-N 1 0 310.419 3.190 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](O)CC3)o2)cc1 ZINC000294034571 433972387 /nfs/dbraw/zinc/97/23/87/433972387.db2.gz OOBNHOLNBWYDHB-OAHLLOKOSA-N 1 0 316.357 3.202 20 5 DGBDRO Cc1noc(C)c1C(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000285656484 434028366 /nfs/dbraw/zinc/02/83/66/434028366.db2.gz MNJIMMOOAWQEQY-UHFFFAOYSA-N 1 0 303.362 3.267 20 5 DGBDRO CC[N@@H+]1CCC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450216754 434033864 /nfs/dbraw/zinc/03/38/64/434033864.db2.gz NYJQHWXNCLOGDA-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[NH+]1CCC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450226345 434037899 /nfs/dbraw/zinc/03/78/99/434037899.db2.gz KVGFQKDKITXHHB-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@@H](c1ccccc1)[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000450226409 434038130 /nfs/dbraw/zinc/03/81/30/434038130.db2.gz LHVRDUOVGHXWNT-KBXCAEBGSA-N 1 0 314.385 3.191 20 5 DGBDRO C[C@@H]1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]1 ZINC000414957596 293894091 /nfs/dbraw/zinc/89/40/91/293894091.db2.gz WCMJIUYWBQPMDO-CHWSQXEVSA-N 1 0 315.373 3.085 20 5 DGBDRO CCC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305863217 434083857 /nfs/dbraw/zinc/08/38/57/434083857.db2.gz YVBISMWAZHFMRE-QZTJIDSGSA-N 1 0 314.385 3.435 20 5 DGBDRO C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000450306801 434093798 /nfs/dbraw/zinc/09/37/98/434093798.db2.gz DSDYUUYTXBQUNI-LLVKDONJSA-N 1 0 300.362 3.038 20 5 DGBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285942774 434114523 /nfs/dbraw/zinc/11/45/23/434114523.db2.gz MFWWCMHKQFTXSB-OCCSQVGLSA-N 1 0 310.369 3.249 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCC(C)CC1 ZINC000357665917 434120957 /nfs/dbraw/zinc/12/09/57/434120957.db2.gz QDNMHSXWRWCANR-UHFFFAOYSA-N 1 0 321.421 3.275 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)OC ZINC000504925494 294224559 /nfs/dbraw/zinc/22/45/59/294224559.db2.gz CNLHYBFUQFMDRN-LBPRGKRZSA-N 1 0 312.435 3.480 20 5 DGBDRO CC(C)[NH+]1CCC(N(C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506387296 294270138 /nfs/dbraw/zinc/27/01/38/294270138.db2.gz REOVHMJYLIRRGC-VURMDHGXSA-N 1 0 317.433 3.413 20 5 DGBDRO COc1ccc(CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422944262 434129476 /nfs/dbraw/zinc/12/94/76/434129476.db2.gz LFAUKJPJBQQFSV-DZGCQCFKSA-N 1 0 321.421 3.004 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000507448164 294298341 /nfs/dbraw/zinc/29/83/41/294298341.db2.gz ZBQLNNZKKNAVPN-YPMHNXCESA-N 1 0 312.797 3.195 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc[nH]c(=O)c1 ZINC000340446113 434134823 /nfs/dbraw/zinc/13/48/23/434134823.db2.gz JYTZCFYCADIHGD-MEDUHNTESA-N 1 0 313.357 3.424 20 5 DGBDRO COC1CCC([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353467743 434154925 /nfs/dbraw/zinc/15/49/25/434154925.db2.gz CVYHQPGUNXQGQQ-ALCCZGGFSA-N 1 0 304.390 3.497 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000357814921 434196392 /nfs/dbraw/zinc/19/63/92/434196392.db2.gz UXPLTLICFBVODW-IRXDYDNUSA-N 1 0 318.417 3.417 20 5 DGBDRO CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000514229521 294497207 /nfs/dbraw/zinc/49/72/07/294497207.db2.gz RQQRNRMMVUTUAQ-UHFFFAOYSA-N 1 0 305.422 3.461 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](N[C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423181577 434268476 /nfs/dbraw/zinc/26/84/76/434268476.db2.gz GCLLTPDXLKDVDP-WMZOPIPTSA-N 1 0 311.385 3.026 20 5 DGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000319987236 434232236 /nfs/dbraw/zinc/23/22/36/434232236.db2.gz SPTQEKNBWPCTAT-GFCCVEGCSA-N 1 0 302.378 3.284 20 5 DGBDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423203726 434281830 /nfs/dbraw/zinc/28/18/30/434281830.db2.gz NBWLGPXSKNRYGX-VXGBXAGGSA-N 1 0 317.414 3.336 20 5 DGBDRO Cc1cc(NC[C@H]2CCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000388812007 434334401 /nfs/dbraw/zinc/33/44/01/434334401.db2.gz AEFBOXXFCMHBIY-STQMWFEESA-N 1 0 315.373 3.100 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353681726 434331637 /nfs/dbraw/zinc/33/16/37/434331637.db2.gz BJDOJWMKXJEVBE-XNRPHZJLSA-N 1 0 314.389 3.196 20 5 DGBDRO CC(C)(CO)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349563 434362511 /nfs/dbraw/zinc/36/25/11/434362511.db2.gz LSBUTMLHDRQFDE-MRXNPFEDSA-N 1 0 306.406 3.361 20 5 DGBDRO CN(C)C1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417360605 434366358 /nfs/dbraw/zinc/36/63/58/434366358.db2.gz XOKHQZSRRGCURO-MRXNPFEDSA-N 1 0 303.406 3.046 20 5 DGBDRO C[C@@H](CCCO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417354647 434366817 /nfs/dbraw/zinc/36/68/17/434366817.db2.gz ZWDGFGRXHWVMFO-SUMWQHHRSA-N 1 0 306.406 3.361 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC(O)CC2)cc(C(F)(F)F)c1 ZINC000287505038 434379095 /nfs/dbraw/zinc/37/90/95/434379095.db2.gz NWTHSPSYKAJVSW-UHFFFAOYSA-N 1 0 318.295 3.007 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CO1 ZINC000518532922 294724592 /nfs/dbraw/zinc/72/45/92/294724592.db2.gz GPVJOTXNVMYGTG-BFJAYTPKSA-N 1 0 304.390 3.073 20 5 DGBDRO CCOc1ccc([C@H](C)NCC([NH3+])(CC)CC)cc1[N+](=O)[O-] ZINC000423288693 434344669 /nfs/dbraw/zinc/34/46/69/434344669.db2.gz UJZAKZQDVCJVIM-LBPRGKRZSA-N 1 0 309.410 3.162 20 5 DGBDRO CCCC[C@H](CN)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423296307 434349354 /nfs/dbraw/zinc/34/93/54/434349354.db2.gz GOJIDNSICPAVLL-OIISXLGYSA-N 1 0 319.449 3.413 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000437846550 434353831 /nfs/dbraw/zinc/35/38/31/434353831.db2.gz LLVOTOBIQUUUDQ-QGZVFWFLSA-N 1 0 312.369 3.291 20 5 DGBDRO CCn1cc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000519180001 294757509 /nfs/dbraw/zinc/75/75/09/294757509.db2.gz FVRNVLHIORIQEX-XHDPSFHLSA-N 1 0 300.362 3.149 20 5 DGBDRO Cc1cc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)on1 ZINC000417336023 434357404 /nfs/dbraw/zinc/35/74/04/434357404.db2.gz UTNJHPFHFTXYBU-QGZVFWFLSA-N 1 0 315.373 3.491 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1(O)CCC1)CCCC2 ZINC000417335586 434360011 /nfs/dbraw/zinc/36/00/11/434360011.db2.gz SXPNSLRQFXEKNL-INIZCTEOSA-N 1 0 304.390 3.257 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000295920211 434445096 /nfs/dbraw/zinc/44/50/96/434445096.db2.gz DYVHQORPQPBMCO-DUPGQFARSA-N 1 0 320.389 3.223 20 5 DGBDRO C[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000397410323 434437239 /nfs/dbraw/zinc/43/72/39/434437239.db2.gz QQAPDMXTIIKPFJ-MDZLAQPJSA-N 1 0 311.813 3.053 20 5 DGBDRO Cc1c(NC(=O)CC[NH+]2CCC3(CC3)CC2)cccc1[N+](=O)[O-] ZINC000366627292 434468092 /nfs/dbraw/zinc/46/80/92/434468092.db2.gz DPYXTGRIVCXSHG-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO CC(=O)c1cc(NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000287879743 434472509 /nfs/dbraw/zinc/47/25/09/434472509.db2.gz UGCRQLYGPQORTJ-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000366648159 434474619 /nfs/dbraw/zinc/47/46/19/434474619.db2.gz ACBUKOFRMHDSKA-RYUDHWBXSA-N 1 0 310.781 3.107 20 5 DGBDRO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000360027642 434484346 /nfs/dbraw/zinc/48/43/46/434484346.db2.gz MVORPYAWQYSXSL-UHFFFAOYSA-N 1 0 314.769 3.022 20 5 DGBDRO Cc1cc(N2CCC[C@H]2C[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000360066265 434501372 /nfs/dbraw/zinc/50/13/72/434501372.db2.gz OIDPCUYYFPOZCP-ZDUSSCGKSA-N 1 0 307.369 3.107 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366571589 434451512 /nfs/dbraw/zinc/45/15/12/434451512.db2.gz XVIFLMPACYDIAE-GOSISDBHSA-N 1 0 317.433 3.246 20 5 DGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1cc(C)c([N+](=O)[O-])cc1F ZINC000360086432 434510179 /nfs/dbraw/zinc/51/01/79/434510179.db2.gz YSICGWAVAPPQNI-OLZOCXBDSA-N 1 0 307.369 3.105 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353970486 434549942 /nfs/dbraw/zinc/54/99/42/434549942.db2.gz FAFTZBQNQIKVBB-FUHWJXTLSA-N 1 0 317.433 3.436 20 5 DGBDRO [NH3+]CCN(Cc1cc(Cl)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000348918863 434553693 /nfs/dbraw/zinc/55/36/93/434553693.db2.gz CWIVEUHEZKEMKU-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000525637840 295023146 /nfs/dbraw/zinc/02/31/46/295023146.db2.gz HCJACBXTXDLTED-CQSZACIVSA-N 1 0 312.369 3.420 20 5 DGBDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000525996245 295049132 /nfs/dbraw/zinc/04/91/32/295049132.db2.gz UVWOSRRGKAPUOF-GFCCVEGCSA-N 1 0 308.378 3.143 20 5 DGBDRO CC1(C)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CO1 ZINC000418043887 434572760 /nfs/dbraw/zinc/57/27/60/434572760.db2.gz ZFMDCUVJERPRKQ-NSHDSACASA-N 1 0 318.295 3.271 20 5 DGBDRO CCn1cncc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418070124 434579585 /nfs/dbraw/zinc/57/95/85/434579585.db2.gz GICSLYDWLWATEC-HNNXBMFYSA-N 1 0 314.389 3.191 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000459605187 434627111 /nfs/dbraw/zinc/62/71/11/434627111.db2.gz CSRKFYMGKRKUIR-SUMWQHHRSA-N 1 0 319.405 3.400 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC(COc2ccccc2)C1 ZINC000459630110 434637990 /nfs/dbraw/zinc/63/79/90/434637990.db2.gz IEPCATDGAONZQU-UHFFFAOYSA-N 1 0 312.369 3.414 20 5 DGBDRO C[C@H]1CC[N@H+](C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000354082945 434610434 /nfs/dbraw/zinc/61/04/34/434610434.db2.gz AGHSDUGNQZAIGN-JTQLQIEISA-N 1 0 317.311 3.144 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CC(C)(C)C1 ZINC000459745441 434691174 /nfs/dbraw/zinc/69/11/74/434691174.db2.gz SRDLGGSEAKYUMG-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000349245954 434650178 /nfs/dbraw/zinc/65/01/78/434650178.db2.gz IWYOEKGWFSDMCY-IPYPFGDCSA-N 1 0 321.421 3.127 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H]2C2CCC2)c1 ZINC000424187678 434650725 /nfs/dbraw/zinc/65/07/25/434650725.db2.gz BCNCKQVWMCNIGT-QWHCGFSZSA-N 1 0 312.316 3.474 20 5 DGBDRO C[C@@H]1C[C@H](c2ccccc2F)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000360851965 434711533 /nfs/dbraw/zinc/71/15/33/434711533.db2.gz SZHOVQRRKLBKIN-BXUZGUMPSA-N 1 0 318.352 3.051 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459786032 434718212 /nfs/dbraw/zinc/71/82/12/434718212.db2.gz PLRLXMHJAKUHBG-SNPRPXQTSA-N 1 0 317.389 3.010 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000361026512 434769998 /nfs/dbraw/zinc/76/99/98/434769998.db2.gz BCJKMIVNFQFFPA-GDBMZVCRSA-N 1 0 304.390 3.233 20 5 DGBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]2O1 ZINC000440943953 434757178 /nfs/dbraw/zinc/75/71/78/434757178.db2.gz SDRWUYHTVVHGAW-HZPDHXFCSA-N 1 0 304.390 3.169 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000361056016 434781876 /nfs/dbraw/zinc/78/18/76/434781876.db2.gz GRCINLJDPFHUGT-AWEZNQCLSA-N 1 0 323.441 3.042 20 5 DGBDRO CC(C)c1ccc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000361155385 434814911 /nfs/dbraw/zinc/81/49/11/434814911.db2.gz PHUNHDHMHMHHOK-KGLIPLIRSA-N 1 0 305.422 3.243 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000361239743 434838324 /nfs/dbraw/zinc/83/83/24/434838324.db2.gz XQSMNHJVKXUTNE-OOXMNIKJSA-N 1 0 312.373 3.142 20 5 DGBDRO CCC[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000453253870 434842096 /nfs/dbraw/zinc/84/20/96/434842096.db2.gz QBHLOFLRPJXBIF-HOTGVXAUSA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCCC(C)(C)C1 ZINC000446074118 434846247 /nfs/dbraw/zinc/84/62/47/434846247.db2.gz QRMAQSVJDYPGAR-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO CC[C@H]([NH2+][C@H](C(=O)N(C)CC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000453290570 434849322 /nfs/dbraw/zinc/84/93/22/434849322.db2.gz UEVPJQRQQRWZCT-HOTGVXAUSA-N 1 0 321.421 3.138 20 5 DGBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000372737045 434850615 /nfs/dbraw/zinc/85/06/15/434850615.db2.gz DDFLGGNMQSJLBN-QGZVFWFLSA-N 1 0 314.389 3.016 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC(C)(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000412041496 434859076 /nfs/dbraw/zinc/85/90/76/434859076.db2.gz LMNVYZOKYAYGGI-YPMHNXCESA-N 1 0 319.405 3.351 20 5 DGBDRO CC[NH+](CC)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000461961246 434893943 /nfs/dbraw/zinc/89/39/43/434893943.db2.gz XXONHCDPVBWGOU-CYBMUJFWSA-N 1 0 309.385 3.210 20 5 DGBDRO Cc1cc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461968687 434895248 /nfs/dbraw/zinc/89/52/48/434895248.db2.gz BMOBYNKTIQJJSW-LBPRGKRZSA-N 1 0 307.369 3.471 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](COC)C1CC1 ZINC000552579733 434867666 /nfs/dbraw/zinc/86/76/66/434867666.db2.gz HZHMFWKEQMRYOI-KBPBESRZSA-N 1 0 324.446 3.480 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2o1 ZINC000554847738 434947231 /nfs/dbraw/zinc/94/72/31/434947231.db2.gz DOKZNDZYOYJHLQ-UHFFFAOYSA-N 1 0 311.341 3.411 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000462775943 434928674 /nfs/dbraw/zinc/92/86/74/434928674.db2.gz MHYZZSABFJHRCM-KBPBESRZSA-N 1 0 321.421 3.383 20 5 DGBDRO CCOc1cc(CN2CCOC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000492459043 434987012 /nfs/dbraw/zinc/98/70/12/434987012.db2.gz FFVSJYJOQPVQFD-HNNXBMFYSA-N 1 0 322.405 3.240 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000466489262 435078372 /nfs/dbraw/zinc/07/83/72/435078372.db2.gz AJHGAGAMHMURIX-KGLIPLIRSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2cccnc2C)n1 ZINC000558336803 435085848 /nfs/dbraw/zinc/08/58/48/435085848.db2.gz VKYPGMLBRQBOAY-UHFFFAOYSA-N 1 0 310.313 3.247 20 5 DGBDRO CCCN(Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(C)cc1 ZINC000531342578 435086708 /nfs/dbraw/zinc/08/67/08/435086708.db2.gz FLRPSQOXDMKCKD-UHFFFAOYSA-N 1 0 302.378 3.049 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000579345680 435147175 /nfs/dbraw/zinc/14/71/75/435147175.db2.gz LFLVNWWBLVXBON-MCIONIFRSA-N 1 0 319.405 3.338 20 5 DGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000466928545 435102303 /nfs/dbraw/zinc/10/23/03/435102303.db2.gz FIRGWNVBWITAKU-AAEUAGOBSA-N 1 0 316.361 3.265 20 5 DGBDRO CC(C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000467173506 435110682 /nfs/dbraw/zinc/11/06/82/435110682.db2.gz CWJMNOLNQSRGSO-UONOGXRCSA-N 1 0 319.405 3.290 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000531956865 435128875 /nfs/dbraw/zinc/12/88/75/435128875.db2.gz NORPLVBVRLWTDO-HUUCEWRRSA-N 1 0 305.422 3.286 20 5 DGBDRO C[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000471038402 435135597 /nfs/dbraw/zinc/13/55/97/435135597.db2.gz KZEIMHPSLDBEDY-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO CO[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000559897035 435142249 /nfs/dbraw/zinc/14/22/49/435142249.db2.gz FKKHBGYTRJNFGC-HZPDHXFCSA-N 1 0 304.390 3.332 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1(C)CC1 ZINC000475212631 435185135 /nfs/dbraw/zinc/18/51/35/435185135.db2.gz LHTPFHCXBPPQSB-GFCCVEGCSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000579892871 435191021 /nfs/dbraw/zinc/19/10/21/435191021.db2.gz IHTQRIUFFDQXPL-ZDUSSCGKSA-N 1 0 317.364 3.303 20 5 DGBDRO COc1cccc(NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000475451258 435197975 /nfs/dbraw/zinc/19/79/75/435197975.db2.gz IJGWHDVDHDODAS-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO C[NH+](C)C[C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000561185708 435204695 /nfs/dbraw/zinc/20/46/95/435204695.db2.gz QYUBOFZXRVBFMB-SECBINFHSA-N 1 0 318.204 3.290 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000477245090 435265541 /nfs/dbraw/zinc/26/55/41/435265541.db2.gz WLGOHUVSLLQETE-MRXNPFEDSA-N 1 0 312.369 3.463 20 5 DGBDRO C[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000477917908 435284759 /nfs/dbraw/zinc/28/47/59/435284759.db2.gz BCBNSOBIEUTPID-CQSZACIVSA-N 1 0 305.422 3.367 20 5 DGBDRO COc1cc(C[N@H+](C)[C@@H](C)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000534349883 435284973 /nfs/dbraw/zinc/28/49/73/435284973.db2.gz NOXPAHQTKVFHPM-NSHDSACASA-N 1 0 310.394 3.478 20 5 DGBDRO Cc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000534419379 435288732 /nfs/dbraw/zinc/28/87/32/435288732.db2.gz RODRDSKUVCEBJN-OAHLLOKOSA-N 1 0 303.406 3.071 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000477288270 435263321 /nfs/dbraw/zinc/26/33/21/435263321.db2.gz DHKLVSDDDOXLTO-MRXNPFEDSA-N 1 0 312.369 3.463 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000479127978 435319916 /nfs/dbraw/zinc/31/99/16/435319916.db2.gz MPKDBZXWULHKHG-INIZCTEOSA-N 1 0 312.369 3.291 20 5 DGBDRO CCC[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCOC1 ZINC000512257876 435351747 /nfs/dbraw/zinc/35/17/47/435351747.db2.gz FXBPCYVQYXGIOG-KRWDZBQOSA-N 1 0 322.405 3.431 20 5 DGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000479872111 435356788 /nfs/dbraw/zinc/35/67/88/435356788.db2.gz IQEZBKFFNRBJSZ-QGZVFWFLSA-N 1 0 322.405 3.361 20 5 DGBDRO CCC(=O)c1ccc(NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000479925477 435358917 /nfs/dbraw/zinc/35/89/17/435358917.db2.gz OHZCLNZGPCUPHG-UHFFFAOYSA-N 1 0 319.405 3.474 20 5 DGBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514615288 435424142 /nfs/dbraw/zinc/42/41/42/435424142.db2.gz XMDIFHPICFCOTQ-LMMKCTJWSA-N 1 0 324.380 3.484 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000536745147 435409788 /nfs/dbraw/zinc/40/97/88/435409788.db2.gz GXVZNFLBEBDMKU-OLZOCXBDSA-N 1 0 308.378 3.245 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000481174539 435413353 /nfs/dbraw/zinc/41/33/53/435413353.db2.gz LGYMDOZILONUPL-UMVBOHGHSA-N 1 0 322.405 3.397 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000481182586 435413989 /nfs/dbraw/zinc/41/39/89/435413989.db2.gz YIAUZVVQFZJRTK-GZBFAFLISA-N 1 0 322.405 3.397 20 5 DGBDRO COc1cc(C[N@H+](CC2CC2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000536639980 435396054 /nfs/dbraw/zinc/39/60/54/435396054.db2.gz DOJHFGSYOYXEQE-UHFFFAOYSA-N 1 0 308.378 3.232 20 5 DGBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000536661694 435398490 /nfs/dbraw/zinc/39/84/90/435398490.db2.gz CHKHWZLIBYVXMZ-ZJUUUORDSA-N 1 0 300.305 3.427 20 5 DGBDRO Cc1cc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000537828675 435468239 /nfs/dbraw/zinc/46/82/39/435468239.db2.gz ZDUGSGNNTOOZNG-HNNXBMFYSA-N 1 0 303.406 3.071 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767984 435471067 /nfs/dbraw/zinc/47/10/67/435471067.db2.gz CHLCGRAGNWDABH-YOEHRIQHSA-N 1 0 317.433 3.292 20 5 DGBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000515302006 435474531 /nfs/dbraw/zinc/47/45/31/435474531.db2.gz GQINJPKJXZNUCF-STQMWFEESA-N 1 0 307.397 3.244 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000537988818 435477806 /nfs/dbraw/zinc/47/78/06/435477806.db2.gz WAYZGSIZBRRECU-CQSZACIVSA-N 1 0 306.406 3.322 20 5 DGBDRO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)(C)C ZINC000537290115 435435967 /nfs/dbraw/zinc/43/59/67/435435967.db2.gz JJCCCVDRSSXFPD-ZDUSSCGKSA-N 1 0 307.394 3.256 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000539048880 435535317 /nfs/dbraw/zinc/53/53/17/435535317.db2.gz WRSDLRJKGZMNNW-OCCSQVGLSA-N 1 0 319.405 3.480 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000538403646 435498544 /nfs/dbraw/zinc/49/85/44/435498544.db2.gz QKKNMVVCBRPKBF-QAPCUYQASA-N 1 0 312.369 3.367 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)C1CCCCC1 ZINC000539086728 435538697 /nfs/dbraw/zinc/53/86/97/435538697.db2.gz KIDDOEWAJMVRFO-CXAGYDPISA-N 1 0 306.406 3.495 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000487989657 435631939 /nfs/dbraw/zinc/63/19/39/435631939.db2.gz AMOQDTFOLZKSST-WMLDXEAASA-N 1 0 305.422 3.236 20 5 DGBDRO CSC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000540189218 435594205 /nfs/dbraw/zinc/59/42/05/435594205.db2.gz YTMCCGHUFPWXKI-CYBMUJFWSA-N 1 0 324.446 3.466 20 5 DGBDRO COc1cccc2c1C[C@@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000570176749 435595964 /nfs/dbraw/zinc/59/59/64/435595964.db2.gz WLLZMFZHYQPUJS-GUYCJALGSA-N 1 0 324.380 3.348 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000518396792 435638493 /nfs/dbraw/zinc/63/84/93/435638493.db2.gz JEDZMDBZVGSZHP-YALNPMBYSA-N 1 0 314.385 3.129 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000571121378 435678532 /nfs/dbraw/zinc/67/85/32/435678532.db2.gz KEUUWJQTKXNJQA-ZDUSSCGKSA-N 1 0 322.409 3.145 20 5 DGBDRO C[C@H](CCO)C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000519551959 435686912 /nfs/dbraw/zinc/68/69/12/435686912.db2.gz MVRZKLLWSIXWNV-CJNGLKHVSA-N 1 0 318.417 3.361 20 5 DGBDRO O=C(CC[NH2+]CC1CCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000571316157 435697069 /nfs/dbraw/zinc/69/70/69/435697069.db2.gz WIEPFYDKEAZIEM-UHFFFAOYSA-N 1 0 319.405 3.483 20 5 DGBDRO COc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000548934598 435728513 /nfs/dbraw/zinc/72/85/13/435728513.db2.gz LJBHLWIZRZGOSE-UHFFFAOYSA-N 1 0 300.358 3.278 20 5 DGBDRO COc1ccc(OCC[NH2+]C2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000571601051 435721598 /nfs/dbraw/zinc/72/15/98/435721598.db2.gz LALILRSAMATJDY-CHWSQXEVSA-N 1 0 322.405 3.397 20 5 DGBDRO Cc1ccccc1[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000183202431 302135773 /nfs/dbraw/zinc/13/57/73/302135773.db2.gz ZSQPGDYWTODWBS-INIZCTEOSA-N 1 0 302.378 3.087 20 5 DGBDRO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680432 312792273 /nfs/dbraw/zinc/79/22/73/312792273.db2.gz RUMODUSDOGDPRX-OLZOCXBDSA-N 1 0 321.421 3.247 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2nc(C)ncc2C1 ZINC000530341832 313359659 /nfs/dbraw/zinc/35/96/59/313359659.db2.gz LHQDYDSFIIXAFK-JYRVWZFOSA-N 1 0 324.384 3.155 20 5 DGBDRO CC(C)(C)Oc1cc(NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000530482496 313374766 /nfs/dbraw/zinc/37/47/66/313374766.db2.gz QKRMSBZQHBJYOP-UHFFFAOYSA-N 1 0 319.405 3.446 20 5 DGBDRO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000532249811 313532559 /nfs/dbraw/zinc/53/25/59/313532559.db2.gz LDVGCKKMMBLESW-GUYCJALGSA-N 1 0 300.358 3.287 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000532551390 313561163 /nfs/dbraw/zinc/56/11/63/313561163.db2.gz ALEVFIGBPFXJTG-RRFJBIMHSA-N 1 0 305.422 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC000532708515 313571680 /nfs/dbraw/zinc/57/16/80/313571680.db2.gz DCDXDUOFURIWSB-UHFFFAOYSA-N 1 0 312.369 3.390 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000543249558 314123841 /nfs/dbraw/zinc/12/38/41/314123841.db2.gz JPENDIZIJOGJCP-STQMWFEESA-N 1 0 319.405 3.290 20 5 DGBDRO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000544613443 314202989 /nfs/dbraw/zinc/20/29/89/314202989.db2.gz GZEDDCRMKOHIKZ-CYBMUJFWSA-N 1 0 322.796 3.265 20 5 DGBDRO CCOc1cccc(NC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000545157194 314228727 /nfs/dbraw/zinc/22/87/27/314228727.db2.gz BOSJJQSOHZMSAB-ZDUSSCGKSA-N 1 0 309.410 3.382 20 5 DGBDRO CCOc1cccc(NC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000545157193 314228794 /nfs/dbraw/zinc/22/87/94/314228794.db2.gz BOSJJQSOHZMSAB-CYBMUJFWSA-N 1 0 309.410 3.382 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000548067050 314417297 /nfs/dbraw/zinc/41/72/97/314417297.db2.gz ZAFCHEZDOOKUGH-CVEARBPZSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000557795823 314820482 /nfs/dbraw/zinc/82/04/82/314820482.db2.gz LGDLXJQZXFHAGS-WBMJQRKESA-N 1 0 316.357 3.480 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000563704382 315132659 /nfs/dbraw/zinc/13/26/59/315132659.db2.gz YKLYEBXNDICSDW-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@H](Cc1ccsc1)N(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000564315845 315168496 /nfs/dbraw/zinc/16/84/96/315168496.db2.gz XNJIAZMHCQQEOA-GFCCVEGCSA-N 1 0 305.403 3.053 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000564508146 315179732 /nfs/dbraw/zinc/17/97/32/315179732.db2.gz BJXQWNIUQAHQLH-IAOVAPTHSA-N 1 0 303.406 3.181 20 5 DGBDRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564853918 315205673 /nfs/dbraw/zinc/20/56/73/315205673.db2.gz HWPGXXYOUZONIA-KBPBESRZSA-N 1 0 324.421 3.139 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566019444 315305354 /nfs/dbraw/zinc/30/53/54/315305354.db2.gz ILNHPVXAFCURRB-CJNGLKHVSA-N 1 0 305.422 3.292 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2CCSCC2)n1 ZINC000567117312 315397610 /nfs/dbraw/zinc/39/76/10/315397610.db2.gz QTUYACPJJBXHPL-ZIAGYGMSSA-N 1 0 324.450 3.008 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CS1 ZINC000568945053 315546461 /nfs/dbraw/zinc/54/64/61/315546461.db2.gz QIHIJTVKERBYHE-WFASDCNBSA-N 1 0 310.419 3.093 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000572855656 315823267 /nfs/dbraw/zinc/82/32/67/315823267.db2.gz HXCOPVBSEBGNNF-WMLDXEAASA-N 1 0 315.417 3.189 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C12CCC2 ZINC000573265932 315852375 /nfs/dbraw/zinc/85/23/75/315852375.db2.gz NQZGUSJHGLTTKN-FVQBIDKESA-N 1 0 302.374 3.129 20 5 DGBDRO Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575922749 316075925 /nfs/dbraw/zinc/07/59/25/316075925.db2.gz HLUSQZIZTOCDBS-RKDXNWHRSA-N 1 0 305.300 3.460 20 5 DGBDRO CN(CCC[NH+](C)C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000576387658 316125017 /nfs/dbraw/zinc/12/50/17/316125017.db2.gz YSHHWHOVNNCVHO-UHFFFAOYSA-N 1 0 317.389 3.238 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ncccc3O)C2)cc1 ZINC000578113308 316303972 /nfs/dbraw/zinc/30/39/72/316303972.db2.gz FKAMUGGSHKIQDM-AWEZNQCLSA-N 1 0 313.357 3.075 20 5 DGBDRO COc1ccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000302172862 533705789 /nfs/dbraw/zinc/70/57/89/533705789.db2.gz MJUZUENHCZLEKD-UHFFFAOYSA-N 1 0 324.340 3.467 20 5 DGBDRO COC(=O)c1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180450769 323228982 /nfs/dbraw/zinc/22/89/82/323228982.db2.gz HSRGIDYYBLWGKR-GFCCVEGCSA-N 1 0 314.341 3.232 20 5 DGBDRO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000182503115 323302424 /nfs/dbraw/zinc/30/24/24/323302424.db2.gz SLQVKGQSXLXZST-NFAWXSAZSA-N 1 0 317.389 3.044 20 5 DGBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1Cl ZINC000183691062 323345551 /nfs/dbraw/zinc/34/55/51/323345551.db2.gz GMIVFVBHXOZPSO-HNNXBMFYSA-N 1 0 322.796 3.432 20 5 DGBDRO CCc1ccc([C@H](COC)[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000184804339 323374211 /nfs/dbraw/zinc/37/42/11/323374211.db2.gz SDHFAJFWXJKQDS-INIZCTEOSA-N 1 0 318.373 3.270 20 5 DGBDRO CCCC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000184882789 323376383 /nfs/dbraw/zinc/37/63/83/323376383.db2.gz WBFKFYQACBZDBS-AWEZNQCLSA-N 1 0 319.405 3.482 20 5 DGBDRO CC[C@@H]([NH2+]CCCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000387719918 323647471 /nfs/dbraw/zinc/64/74/71/323647471.db2.gz MQYSMHQGUBXWEF-MRXNPFEDSA-N 1 0 302.378 3.312 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000395141242 323677496 /nfs/dbraw/zinc/67/74/96/323677496.db2.gz HRXWTOPALCRMDV-CZUORRHYSA-N 1 0 306.406 3.495 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000580326357 323984552 /nfs/dbraw/zinc/98/45/52/323984552.db2.gz OXCCXNPWZZBVMO-YRGRVCCFSA-N 1 0 323.368 3.182 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)Cn1cccn1 ZINC000580808273 324040450 /nfs/dbraw/zinc/04/04/50/324040450.db2.gz FDOHSUPTMFWFFZ-KQGZCTBQSA-N 1 0 314.389 3.121 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000581142366 324080044 /nfs/dbraw/zinc/08/00/44/324080044.db2.gz MFAQSUGEUSMLER-OUCADQQQSA-N 1 0 312.316 3.332 20 5 DGBDRO CCO[C@@H]1C[C@H]1[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000581770117 324155022 /nfs/dbraw/zinc/15/50/22/324155022.db2.gz YTHJQVUEJJSXGR-OUCADQQQSA-N 1 0 310.419 3.233 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000582399252 324224194 /nfs/dbraw/zinc/22/41/94/324224194.db2.gz AVCKOSMYJXNGLB-UHFFFAOYSA-N 1 0 314.332 3.387 20 5 DGBDRO C[N@H+](CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000582944076 324294120 /nfs/dbraw/zinc/29/41/20/324294120.db2.gz FBHOAUQMSDQVQS-GOSISDBHSA-N 1 0 317.433 3.436 20 5 DGBDRO Cc1ccc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430119377 533931768 /nfs/dbraw/zinc/93/17/68/533931768.db2.gz GFVBRQYYOMIYPK-YSVLISHTSA-N 1 0 317.433 3.065 20 5 DGBDRO COc1ccccc1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178639749 534047772 /nfs/dbraw/zinc/04/77/72/534047772.db2.gz ZPALAOCLISGATQ-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000417306759 534079593 /nfs/dbraw/zinc/07/95/93/534079593.db2.gz GLDAXFFUAQFMRT-IIYDPXPESA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330867226 534175226 /nfs/dbraw/zinc/17/52/26/534175226.db2.gz VODYGPABHJSQOQ-DGCLKSJQSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000292884113 534227417 /nfs/dbraw/zinc/22/74/17/534227417.db2.gz CYVRNRINCCUZPS-NSHDSACASA-N 1 0 324.331 3.216 20 5 DGBDRO Cc1ccc(-c2noc(C[N@H+]3[C@H](C)CC[C@@H]3C)n2)cc1[N+](=O)[O-] ZINC000443207107 534232245 /nfs/dbraw/zinc/23/22/45/534232245.db2.gz YOILXIHGQPQMJH-TXEJJXNPSA-N 1 0 316.361 3.326 20 5 DGBDRO Cc1ccn(C2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000434500729 534320909 /nfs/dbraw/zinc/32/09/09/534320909.db2.gz CUBMFRPJVKQKIL-AWEZNQCLSA-N 1 0 314.389 3.498 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000298121431 534342614 /nfs/dbraw/zinc/34/26/14/534342614.db2.gz BSSYLAVWLYUNAB-AVGNSLFASA-N 1 0 305.378 3.103 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000339396676 519230757 /nfs/dbraw/zinc/23/07/57/519230757.db2.gz PONQSDLQKBLZDX-CYBMUJFWSA-N 1 0 318.377 3.350 20 5 DGBDRO Cc1cnc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000316866477 534587173 /nfs/dbraw/zinc/58/71/73/534587173.db2.gz KERYQHLDSVPYHF-LRDDRELGSA-N 1 0 306.410 3.221 20 5 DGBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc2ccccc2c2cccnc12 ZINC000262571227 526383905 /nfs/dbraw/zinc/38/39/05/526383905.db2.gz HIOGKYKJAVAZRE-AWEZNQCLSA-N 1 0 319.408 3.117 20 5 DGBDRO CC(C)([NH2+]CCOc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429253962 527292560 /nfs/dbraw/zinc/29/25/60/527292560.db2.gz CUABHDJUXUOJAB-UHFFFAOYSA-N 1 0 300.358 3.499 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(C3CCOCC3)CC2)cc1 ZINC000153747475 527347479 /nfs/dbraw/zinc/34/74/79/527347479.db2.gz QPEJDXOIOOJECX-UHFFFAOYSA-N 1 0 318.417 3.276 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3CCOCC3)CC2)cc1 ZINC000153627458 527349138 /nfs/dbraw/zinc/34/91/38/527349138.db2.gz CCWDHKGSBJCGHH-UHFFFAOYSA-N 1 0 304.390 3.233 20 5 DGBDRO CC(C)C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447580537 527615147 /nfs/dbraw/zinc/61/51/47/527615147.db2.gz OTWFHLDCMLQUHI-KBPBESRZSA-N 1 0 306.410 3.301 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCC2CC(O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433093635 527741543 /nfs/dbraw/zinc/74/15/43/527741543.db2.gz VIZHEDBSHGSUQV-TZDAIYRESA-N 1 0 304.390 3.068 20 5 DGBDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415034873 527792376 /nfs/dbraw/zinc/79/23/76/527792376.db2.gz IJBKDHABHRFIFE-INIZCTEOSA-N 1 0 315.373 3.085 20 5 DGBDRO CCC1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000441242515 527869652 /nfs/dbraw/zinc/86/96/52/527869652.db2.gz UVZXWCDAFATLMA-UHFFFAOYSA-N 1 0 308.378 3.104 20 5 DGBDRO CCN(CCC[NH+](CC)CC)Cc1ccc([N+](=O)[O-])cc1F ZINC000319306038 528104113 /nfs/dbraw/zinc/10/41/13/528104113.db2.gz JCQLLKRVOYECOB-UHFFFAOYSA-N 1 0 311.401 3.288 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430640509 528210996 /nfs/dbraw/zinc/21/09/96/528210996.db2.gz QZSTWBICSOWQDC-XJKSGUPXSA-N 1 0 321.421 3.084 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1(CO)CCC1 ZINC000292707194 528589780 /nfs/dbraw/zinc/58/97/80/528589780.db2.gz CXFZKXHJEACAQK-OAHLLOKOSA-N 1 0 310.369 3.011 20 5 DGBDRO CC[C@H](C)[C@@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302196629 529225203 /nfs/dbraw/zinc/22/52/03/529225203.db2.gz STGVHLVLNCOCGW-QFYYESIMSA-N 1 0 303.362 3.270 20 5 DGBDRO CC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444640852 529298825 /nfs/dbraw/zinc/29/88/25/529298825.db2.gz OLYVDCDHEHCHIT-GFCCVEGCSA-N 1 0 302.378 3.483 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429768191 529312446 /nfs/dbraw/zinc/31/24/46/529312446.db2.gz ADTSEEKJRLXNEL-ZOWXZIJZSA-N 1 0 305.378 3.090 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000318697365 529343862 /nfs/dbraw/zinc/34/38/62/529343862.db2.gz CRZUJKXUJCWITL-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449162682 534963833 /nfs/dbraw/zinc/96/38/33/534963833.db2.gz SSLMQHOMNKWFIQ-PBHICJAKSA-N 1 0 308.422 3.303 20 5 DGBDRO CC(C)c1nnc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449192496 534987550 /nfs/dbraw/zinc/98/75/50/534987550.db2.gz QUMBMEWZTHBOPR-LLVKDONJSA-N 1 0 320.418 3.291 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451477814 535412291 /nfs/dbraw/zinc/41/22/91/535412291.db2.gz XRVIKKOMFHSNMY-HUUCEWRRSA-N 1 0 308.353 3.171 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C12CCC2 ZINC000451476096 535509011 /nfs/dbraw/zinc/50/90/11/535509011.db2.gz DXQFTFIYJNPSBV-JKSUJKDBSA-N 1 0 320.389 3.041 20 5 DGBDRO CCC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000459801719 535701265 /nfs/dbraw/zinc/70/12/65/535701265.db2.gz LRCWYQHBPAIBGC-AWEZNQCLSA-N 1 0 319.405 3.482 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)O ZINC000449538725 535805691 /nfs/dbraw/zinc/80/56/91/535805691.db2.gz HSCPGXCMBALYHL-IAQYHMDHSA-N 1 0 304.346 3.104 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](C)O ZINC000449548121 535805748 /nfs/dbraw/zinc/80/57/48/535805748.db2.gz ZMCBAGHBSUSZDC-SMDDNHRTSA-N 1 0 304.346 3.104 20 5 DGBDRO CCc1nn(C)cc1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468620014 535826549 /nfs/dbraw/zinc/82/65/49/535826549.db2.gz RAMZTJJVPPKEFC-JYRVWZFOSA-N 1 0 314.389 3.084 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C)O ZINC000449544429 535915229 /nfs/dbraw/zinc/91/52/29/535915229.db2.gz QJRPIWRGUDPELB-ABAIWWIYSA-N 1 0 304.346 3.104 20 5 DGBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000449147893 536408838 /nfs/dbraw/zinc/40/88/38/536408838.db2.gz IKEWHQGDIRSVAA-TZMCWYRMSA-N 1 0 321.421 3.105 20 5 DGBDRO CC(C)[C@@H](C)[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728898089 575192549 /nfs/dbraw/zinc/19/25/49/575192549.db2.gz WSFOVCWNGBUIBC-CYBMUJFWSA-N 1 0 302.378 3.392 20 5 DGBDRO CCCN(CCC[NH+](C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001659124993 1196350323 /nfs/dbraw/zinc/35/03/23/1196350323.db2.gz WSWHQBAFMMDOIK-UHFFFAOYSA-N 1 0 313.829 3.412 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)sc2c1 ZINC000731206702 574545216 /nfs/dbraw/zinc/54/52/16/574545216.db2.gz PDMBAYJCPORCGG-WDEREUQCSA-N 1 0 318.402 3.243 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1ccccc1F ZINC000731669139 574554934 /nfs/dbraw/zinc/55/49/34/574554934.db2.gz BRHGHKDYLOZNMH-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO Cc1c(COC(=O)[C@@H](C)[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000741029988 574949407 /nfs/dbraw/zinc/94/94/07/574949407.db2.gz UNMRNUQMWXWPEE-CQSZACIVSA-N 1 0 320.389 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000743264209 575040834 /nfs/dbraw/zinc/04/08/34/575040834.db2.gz SRMQQOUZVCXUII-MRXNPFEDSA-N 1 0 320.776 3.114 20 5 DGBDRO CC[C@@]1(C)CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000743386831 575048292 /nfs/dbraw/zinc/04/82/92/575048292.db2.gz ZZJYQMDWWRNKGQ-INIZCTEOSA-N 1 0 302.378 3.414 20 5 DGBDRO CC[N@H+](CC(C)C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728895863 575192507 /nfs/dbraw/zinc/19/25/07/575192507.db2.gz CSELOTSZDDHBEP-UHFFFAOYSA-N 1 0 302.378 3.394 20 5 DGBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000746049782 575428692 /nfs/dbraw/zinc/42/86/92/575428692.db2.gz YPZPJYSRSHTYNR-BDJLRTHQSA-N 1 0 312.373 3.421 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(C3CCCCC3)CC2)n1 ZINC000747960186 575553812 /nfs/dbraw/zinc/55/38/12/575553812.db2.gz XLSSYFKVWVTHSS-UHFFFAOYSA-N 1 0 306.410 3.084 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000748267827 575577169 /nfs/dbraw/zinc/57/71/69/575577169.db2.gz CEJDJZOXJJYFST-IRXDYDNUSA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(Cl)s2)c1 ZINC000749670265 575671285 /nfs/dbraw/zinc/67/12/85/575671285.db2.gz KBRXQCUNZJWPSC-GFCCVEGCSA-N 1 0 312.778 3.133 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000749688279 575672515 /nfs/dbraw/zinc/67/25/15/575672515.db2.gz KQCNBFQJJICZSP-IAGOWNOFSA-N 1 0 316.332 3.044 20 5 DGBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749692937 575673141 /nfs/dbraw/zinc/67/31/41/575673141.db2.gz UOWVNDONUZQFIP-ZWKOTPCHSA-N 1 0 312.369 3.214 20 5 DGBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000749839838 575682572 /nfs/dbraw/zinc/68/25/72/575682572.db2.gz IIYWXKNFSZFCRI-MEDUHNTESA-N 1 0 312.373 3.421 20 5 DGBDRO CC(C)[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750075562 575702155 /nfs/dbraw/zinc/70/21/55/575702155.db2.gz KQCIRMJIJVIXLF-WMLDXEAASA-N 1 0 306.406 3.386 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)[C@H]1C ZINC000751939479 575813244 /nfs/dbraw/zinc/81/32/44/575813244.db2.gz FTCVXKQYACLUHG-OLZOCXBDSA-N 1 0 300.362 3.146 20 5 DGBDRO CC[N@@H+]1CC[C@@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000749319709 576093378 /nfs/dbraw/zinc/09/33/78/576093378.db2.gz AIGQXUNQQQBFCM-WDEREUQCSA-N 1 0 313.348 3.182 20 5 DGBDRO CC[N@@H+]1CC[C@@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000749319697 576093401 /nfs/dbraw/zinc/09/34/01/576093401.db2.gz AIGQXUNQQQBFCM-GHMZBOCLSA-N 1 0 313.348 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCC2CC2)CC2CC2)cc1 ZINC000852717379 620642645 /nfs/dbraw/zinc/64/26/45/620642645.db2.gz IOWIDQCECWDKNP-KRWDZBQOSA-N 1 0 304.390 3.140 20 5 DGBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853339728 620688101 /nfs/dbraw/zinc/68/81/01/620688101.db2.gz YYOHRDLHRVPMDU-NSHDSACASA-N 1 0 313.348 3.310 20 5 DGBDRO CN(c1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804815701 617675268 /nfs/dbraw/zinc/67/52/68/617675268.db2.gz YEJSYBGMVAIVOZ-QYJAPNMZSA-N 1 0 309.797 3.310 20 5 DGBDRO CSC[C@@H]1CCC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121267426 617941226 /nfs/dbraw/zinc/94/12/26/617941226.db2.gz FRVIRUZYPDTDQN-ZDUSSCGKSA-N 1 0 320.418 3.038 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000892025771 617946602 /nfs/dbraw/zinc/94/66/02/617946602.db2.gz WDIRPNZJSQOGNB-UHFFFAOYSA-N 1 0 306.362 3.075 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H](C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000892659914 618129106 /nfs/dbraw/zinc/12/91/06/618129106.db2.gz MMZQXGADPAVKDT-JTQLQIEISA-N 1 0 322.386 3.091 20 5 DGBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783626927 618142731 /nfs/dbraw/zinc/14/27/31/618142731.db2.gz CRDFVZFPBGBJQU-QMTHXVAHSA-N 1 0 300.786 3.135 20 5 DGBDRO COCCCC1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000892714506 618145170 /nfs/dbraw/zinc/14/51/70/618145170.db2.gz PVDZXJRXOWWCPF-UHFFFAOYSA-N 1 0 322.405 3.290 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000926891781 618393852 /nfs/dbraw/zinc/39/38/52/618393852.db2.gz KGDYYXIJOOEUJS-XOKHGSTOSA-N 1 0 303.406 3.262 20 5 DGBDRO CCC[NH+](CCC)CCCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854497734 620809541 /nfs/dbraw/zinc/80/95/41/620809541.db2.gz WQAOLIWKLVJVMG-UHFFFAOYSA-N 1 0 322.409 3.018 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1nccn1C1CC1 ZINC000893400499 618545484 /nfs/dbraw/zinc/54/54/84/618545484.db2.gz DVYCDESXTCKIOZ-UHFFFAOYSA-N 1 0 320.780 3.112 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cn2c(n1)CCCC2 ZINC000924954788 618748459 /nfs/dbraw/zinc/74/84/59/618748459.db2.gz JPGPUPMETRYYCP-ZDUSSCGKSA-N 1 0 314.389 3.021 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1CSC1 ZINC000895422247 618783041 /nfs/dbraw/zinc/78/30/41/618783041.db2.gz XGQPWGCNMMRMLD-HIFRSBDPSA-N 1 0 306.431 3.259 20 5 DGBDRO CC1(C)CC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)OC1 ZINC000895528916 618794936 /nfs/dbraw/zinc/79/49/36/618794936.db2.gz BHYMGHHYUNYLEF-LBPRGKRZSA-N 1 0 319.361 3.031 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000895623366 618808333 /nfs/dbraw/zinc/80/83/33/618808333.db2.gz PDFPVJLOVIHCNR-WVSHTKLVSA-N 1 0 318.295 3.128 20 5 DGBDRO CC(C)([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000895657680 618813138 /nfs/dbraw/zinc/81/31/38/618813138.db2.gz CYSWAXRWECDOKQ-CQSZACIVSA-N 1 0 306.387 3.258 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895843288 618837801 /nfs/dbraw/zinc/83/78/01/618837801.db2.gz ATIXFEQVTUIWQK-JRIYGVKESA-N 1 0 316.401 3.499 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000895845740 618840739 /nfs/dbraw/zinc/84/07/39/618840739.db2.gz IDXYQPULVJVJDI-WFASDCNBSA-N 1 0 310.781 3.249 20 5 DGBDRO Cc1cc(NC2CCC(C)([NH+]3CCC3)CC2)ncc1[N+](=O)[O-] ZINC000896256741 618892674 /nfs/dbraw/zinc/89/26/74/618892674.db2.gz YBRXYVUTSATRPA-UHFFFAOYSA-N 1 0 304.394 3.117 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000896511633 618919521 /nfs/dbraw/zinc/91/95/21/618919521.db2.gz IKSFEEKSQYXUKY-JUDXGUMMSA-N 1 0 310.419 3.154 20 5 DGBDRO CCn1cnc2c1CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000897334560 619062311 /nfs/dbraw/zinc/06/23/11/619062311.db2.gz WLNFXGGIVRQQKS-UHFFFAOYSA-N 1 0 320.780 3.023 20 5 DGBDRO COc1ccc(C[NH2+]CC(C)(C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000897451788 619129210 /nfs/dbraw/zinc/12/92/10/619129210.db2.gz QPRKIKUASTVEDE-UHFFFAOYSA-N 1 0 322.405 3.146 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cc(C2CC2)no1)c1ccccc1[N+](=O)[O-] ZINC000897460744 619130279 /nfs/dbraw/zinc/13/02/79/619130279.db2.gz VUMQQJAKFWVNNH-NSHDSACASA-N 1 0 301.346 3.354 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cc2n(n1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000897461821 619130644 /nfs/dbraw/zinc/13/06/44/619130644.db2.gz YKHUKWSVHUDMEC-ZDUSSCGKSA-N 1 0 314.389 3.021 20 5 DGBDRO C[C@H](C[NH2+]Cc1cc(F)ncc1F)c1ccccc1[N+](=O)[O-] ZINC000897464347 619130651 /nfs/dbraw/zinc/13/06/51/619130651.db2.gz LNDFMAYPMXTHIR-SNVBAGLBSA-N 1 0 307.300 3.161 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000897511901 619142060 /nfs/dbraw/zinc/14/20/60/619142060.db2.gz QQLAONULNXFXAJ-UKRRQHHQSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897510842 619142439 /nfs/dbraw/zinc/14/24/39/619142439.db2.gz BPGOXESEFAVUAY-JRKQMZJPSA-N 1 0 302.374 3.155 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897510845 619142443 /nfs/dbraw/zinc/14/24/43/619142443.db2.gz BPGOXESEFAVUAY-XQONNYOLSA-N 1 0 302.374 3.155 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897533615 619150773 /nfs/dbraw/zinc/15/07/73/619150773.db2.gz ILDYLBBNDDMKME-ISTRZQFTSA-N 1 0 304.390 3.113 20 5 DGBDRO C[C@H]1CC2(CC([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])C2)CO1 ZINC000897781288 619182097 /nfs/dbraw/zinc/18/20/97/619182097.db2.gz UNKDBUYVLAZTGK-JZGJNZITSA-N 1 0 302.374 3.155 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000898204619 619221374 /nfs/dbraw/zinc/22/13/74/619221374.db2.gz XVJTXSXCZBFCTD-YXJHDRRASA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1nc2ccccn2c1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000898271927 619230915 /nfs/dbraw/zinc/23/09/15/619230915.db2.gz MNJSIYSIOQWCRK-HNNXBMFYSA-N 1 0 322.368 3.328 20 5 DGBDRO C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000926916329 619248576 /nfs/dbraw/zinc/24/85/76/619248576.db2.gz PGTVLMVKKKEDOR-SGIREYDYSA-N 1 0 308.353 3.344 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926946418 619251814 /nfs/dbraw/zinc/25/18/14/619251814.db2.gz UKYXNBLDAUBVCY-UBHAPETDSA-N 1 0 320.286 3.453 20 5 DGBDRO C[C@]12CSC[C@H]1C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000898422979 619274552 /nfs/dbraw/zinc/27/45/52/619274552.db2.gz PSHBFJLVICRGLU-DURLZJIISA-N 1 0 304.415 3.293 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899936965 619384556 /nfs/dbraw/zinc/38/45/56/619384556.db2.gz KOCVAOHHQIZNDM-UKRRQHHQSA-N 1 0 317.389 3.167 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]Cc2cccc(O)c2)cc([N+](=O)[O-])c1 ZINC000903086147 619713507 /nfs/dbraw/zinc/71/35/07/619713507.db2.gz KSUFSCFIRFLIHB-LLVKDONJSA-N 1 0 302.330 3.160 20 5 DGBDRO COc1cc([C@@H](C)NC2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903111973 619715900 /nfs/dbraw/zinc/71/59/00/619715900.db2.gz FGZCJFBTUANZKS-CYBMUJFWSA-N 1 0 321.421 3.127 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903096995 619719538 /nfs/dbraw/zinc/71/95/38/619719538.db2.gz OKSOMGTVMQCSKN-MKBNYLNASA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903113961 619719777 /nfs/dbraw/zinc/71/97/77/619719777.db2.gz ZIXXTZSAOBFXKE-NWDGAFQWSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)cc([N+](=O)[O-])c1 ZINC000903119651 619721331 /nfs/dbraw/zinc/72/13/31/619721331.db2.gz JTJYAARTYSZQEF-NWDGAFQWSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)cc([N+](=O)[O-])c1 ZINC000903119650 619721355 /nfs/dbraw/zinc/72/13/55/619721355.db2.gz JTJYAARTYSZQEF-NEPJUHHUSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]Cc2cncc(C)c2)cc([N+](=O)[O-])c1 ZINC000903132271 619723321 /nfs/dbraw/zinc/72/33/21/619723321.db2.gz XJMRZPVPGSWYPO-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO CCOC1CC(CC[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903157185 619726549 /nfs/dbraw/zinc/72/65/49/619726549.db2.gz ACGJRYZAVFKCGM-POZPTJLLSA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1[N+](=O)[O-] ZINC000903180722 619731268 /nfs/dbraw/zinc/73/12/68/619731268.db2.gz IMMDDGPZWJGAAE-CWSCBRNRSA-N 1 0 318.295 3.355 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCSC2)cc([N+](=O)[O-])c1 ZINC000903169646 619733198 /nfs/dbraw/zinc/73/31/98/619733198.db2.gz CDPOTNIAOMBMEA-NEPJUHHUSA-N 1 0 310.419 3.397 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C)O2)cc([N+](=O)[O-])c1 ZINC000903200455 619735237 /nfs/dbraw/zinc/73/52/37/619735237.db2.gz PLABLHCLRSPIRX-TYNCELHUSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCCc2ccco2)cc([N+](=O)[O-])c1 ZINC000903202789 619736142 /nfs/dbraw/zinc/73/61/42/619736142.db2.gz GFOQWOXLEPPSEZ-GFCCVEGCSA-N 1 0 304.346 3.480 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)[C@](C)(OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903186123 619736444 /nfs/dbraw/zinc/73/64/44/619736444.db2.gz NPPQYLSEEIJRBE-JKDFXYPNSA-N 1 0 322.405 3.458 20 5 DGBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CCO1 ZINC000903189591 619737351 /nfs/dbraw/zinc/73/73/51/619737351.db2.gz DEWVZZYCPGZEBR-CORIIIEPSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@H]2CC2(F)F)cc([N+](=O)[O-])c1 ZINC000903205269 619737945 /nfs/dbraw/zinc/73/79/45/619737945.db2.gz GSUKBPPRVGAPTD-ONGXEEELSA-N 1 0 300.305 3.299 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCSC2)cc([N+](=O)[O-])c1 ZINC000903209928 619739000 /nfs/dbraw/zinc/73/90/00/619739000.db2.gz QYKJKJGUFOXNFD-VXGBXAGGSA-N 1 0 310.419 3.397 20 5 DGBDRO C[C@H](C[NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000903244738 619743441 /nfs/dbraw/zinc/74/34/41/619743441.db2.gz CJOQWUWYCUNHKQ-BZPMIXESSA-N 1 0 300.362 3.190 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000903245689 619743532 /nfs/dbraw/zinc/74/35/32/619743532.db2.gz OACGBFIXCUDHAH-CHWSQXEVSA-N 1 0 315.373 3.453 20 5 DGBDRO COc1ccnc([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000903245209 619743553 /nfs/dbraw/zinc/74/35/53/619743553.db2.gz KDZPEGOYDFSBTG-STQMWFEESA-N 1 0 315.373 3.453 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCCn2nccc21)c1ccccc1[N+](=O)[O-] ZINC000903244964 619743569 /nfs/dbraw/zinc/74/35/69/619743569.db2.gz HBVABZNWFLMOAA-TZMCWYRMSA-N 1 0 300.362 3.020 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000903245338 619743673 /nfs/dbraw/zinc/74/36/73/619743673.db2.gz KSMUFNVRXRYPJK-XJKSGUPXSA-N 1 0 304.390 3.247 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000903245896 619744149 /nfs/dbraw/zinc/74/41/49/619744149.db2.gz QGHJZXWCPVTSIG-SIIHOXLZSA-N 1 0 318.417 3.493 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cc([N+](=O)[O-])c1 ZINC000903252537 619745090 /nfs/dbraw/zinc/74/50/90/619745090.db2.gz NDYPURXOIAPDQS-KCTSRDHCSA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000903253768 619745187 /nfs/dbraw/zinc/74/51/87/619745187.db2.gz RJKDUSHTMMKEFM-PEYYIBSZSA-N 1 0 320.389 3.212 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000903252574 619745319 /nfs/dbraw/zinc/74/53/19/619745319.db2.gz NJENYTUCVRBNQM-NVBFEUDRSA-N 1 0 308.353 3.342 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C1CC1 ZINC000903264244 619747534 /nfs/dbraw/zinc/74/75/34/619747534.db2.gz GHCHFNSINWRDMP-RYRKJORJSA-N 1 0 316.401 3.073 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000903247068 619747902 /nfs/dbraw/zinc/74/79/02/619747902.db2.gz YHIPJGAAVHBKPI-QWHCGFSZSA-N 1 0 302.378 3.266 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903266122 619748884 /nfs/dbraw/zinc/74/88/84/619748884.db2.gz VEZMAQIGFLFVLJ-WWGRRREGSA-N 1 0 322.405 3.195 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000903278585 619751367 /nfs/dbraw/zinc/75/13/67/619751367.db2.gz GOBWCAVPOJXQPF-IWZJZLAVSA-N 1 0 320.389 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000903279735 619751836 /nfs/dbraw/zinc/75/18/36/619751836.db2.gz PDTHIJMVMKCRTA-BIVWPHSNSA-N 1 0 322.380 3.212 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CCO)C1CCCC1 ZINC000903297042 619752750 /nfs/dbraw/zinc/75/27/50/619752750.db2.gz OFMJJXZFKIKYIX-BLLLJJGKSA-N 1 0 324.396 3.196 20 5 DGBDRO C[C@H]([NH2+][C@@H](CO)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000903289745 619755167 /nfs/dbraw/zinc/75/51/67/619755167.db2.gz NVLYDSLNZAYZMX-WMLDXEAASA-N 1 0 314.385 3.239 20 5 DGBDRO CO[C@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCSC1 ZINC000903310624 619757351 /nfs/dbraw/zinc/75/73/51/619757351.db2.gz MWXQIVXEBQHJQK-WFASDCNBSA-N 1 0 310.419 3.076 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC000903325722 619761330 /nfs/dbraw/zinc/76/13/30/619761330.db2.gz MLDUKODCQNCWOI-LLVKDONJSA-N 1 0 312.329 3.290 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000903439825 619775467 /nfs/dbraw/zinc/77/54/67/619775467.db2.gz IGNDIOYYRLBRGO-JBBXEZCESA-N 1 0 312.369 3.212 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC1CCSCC1 ZINC000903443509 619777795 /nfs/dbraw/zinc/77/77/95/619777795.db2.gz HSFGVVOJOJMFKY-ZDUSSCGKSA-N 1 0 324.446 3.466 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000903451691 619779048 /nfs/dbraw/zinc/77/90/48/619779048.db2.gz WPWPNWBUSFSBNW-JGGQBBKZSA-N 1 0 320.389 3.367 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[N@@H+](C)CC(C)(C)C)n1 ZINC000904005316 619858664 /nfs/dbraw/zinc/85/86/64/619858664.db2.gz YKPYUZQMLLEKKO-UHFFFAOYSA-N 1 0 318.377 3.431 20 5 DGBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000905643879 620016110 /nfs/dbraw/zinc/01/61/10/620016110.db2.gz NYYDWWIRAUDKCO-YVEFUNNKSA-N 1 0 318.348 3.161 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H]2CCC(F)(F)C2)c1 ZINC000905674239 620017535 /nfs/dbraw/zinc/01/75/35/620017535.db2.gz GJTCGCYIZARDSU-SMDDNHRTSA-N 1 0 314.332 3.043 20 5 DGBDRO [NH3+][C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000906517269 620102070 /nfs/dbraw/zinc/10/20/70/620102070.db2.gz LHXWJSGLOXQKFR-MGCOHNPYSA-N 1 0 321.764 3.088 20 5 DGBDRO Cc1nn(CC[C@H]2CCCC[N@H+]2C)c2ccc([N+](=O)[O-])cc12 ZINC000906502083 620103244 /nfs/dbraw/zinc/10/32/44/620103244.db2.gz FCXSREXBCAKJTM-CYBMUJFWSA-N 1 0 302.378 3.127 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908268959 620197296 /nfs/dbraw/zinc/19/72/96/620197296.db2.gz RYPLFHNXGDAIMI-UKRRQHHQSA-N 1 0 317.389 3.167 20 5 DGBDRO CC(C)CC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000914566659 620542416 /nfs/dbraw/zinc/54/24/16/620542416.db2.gz KNMWXVKURJAHAL-UHFFFAOYSA-N 1 0 302.378 3.413 20 5 DGBDRO C[C@@H](CSC(C)(C)C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000772974847 620937110 /nfs/dbraw/zinc/93/71/10/620937110.db2.gz ABAAOAMCVULNPR-LBPRGKRZSA-N 1 0 312.435 3.483 20 5 DGBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C ZINC000922556908 621057082 /nfs/dbraw/zinc/05/70/82/621057082.db2.gz JYCIWMBWEGKEQQ-WBMJQRKESA-N 1 0 315.373 3.037 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000922585303 621061774 /nfs/dbraw/zinc/06/17/74/621061774.db2.gz DYKYCTWYTMSJDJ-QGZVFWFLSA-N 1 0 313.357 3.239 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cs1 ZINC000922676512 621079361 /nfs/dbraw/zinc/07/93/61/621079361.db2.gz AMJHFJUREKDBTJ-VHSXEESVSA-N 1 0 324.324 3.246 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000922695784 621083125 /nfs/dbraw/zinc/08/31/25/621083125.db2.gz NVAAAFDZGGGBNA-CHWSQXEVSA-N 1 0 318.295 3.184 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)cs1 ZINC000922698201 621084128 /nfs/dbraw/zinc/08/41/28/621084128.db2.gz VPRMDLKWQIFBTQ-VHSXEESVSA-N 1 0 324.324 3.246 20 5 DGBDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000922864544 621110953 /nfs/dbraw/zinc/11/09/53/621110953.db2.gz DZMFHKBHAHKESI-MNOVXSKESA-N 1 0 322.390 3.028 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[NH+](CC2CC2)CC2CC2)c1 ZINC000115514264 621116953 /nfs/dbraw/zinc/11/69/53/621116953.db2.gz NXTXCEQYELCMDK-UHFFFAOYSA-N 1 0 300.362 3.024 20 5 DGBDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000858503870 621198867 /nfs/dbraw/zinc/19/88/67/621198867.db2.gz HMKWIKATXBXZIJ-ZBFHGGJFSA-N 1 0 318.373 3.287 20 5 DGBDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000858505278 621199418 /nfs/dbraw/zinc/19/94/18/621199418.db2.gz HSLTUPGHKNZNJC-GXTWGEPZSA-N 1 0 318.373 3.206 20 5 DGBDRO CCC1CCC([N@H+](CCO)Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000753814608 621466805 /nfs/dbraw/zinc/46/68/05/621466805.db2.gz HGTXHRSLNNXNNS-UHFFFAOYSA-N 1 0 324.396 3.497 20 5 DGBDRO O=[N+]([O-])c1cnc2c(c1)CN(Cc1ccc(CF)cc1)CC2 ZINC000754215118 621497418 /nfs/dbraw/zinc/49/74/18/621497418.db2.gz MBINJOUVPCTFDL-UHFFFAOYSA-N 1 0 301.321 3.018 20 5 DGBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCCCC[NH+](C)C ZINC000755707861 621586851 /nfs/dbraw/zinc/58/68/51/621586851.db2.gz LUFDUEQWBRIYPD-BUHFOSPRSA-N 1 0 320.389 3.273 20 5 DGBDRO COCC(C)(C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000756076476 621613495 /nfs/dbraw/zinc/61/34/95/621613495.db2.gz MOGSEPYORVEXLA-UHFFFAOYSA-N 1 0 300.786 3.353 20 5 DGBDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863583651 621685412 /nfs/dbraw/zinc/68/54/12/621685412.db2.gz CJYVRSHPIFOOTL-KSZLIROESA-N 1 0 312.369 3.082 20 5 DGBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc(C[C@H]3CCC[NH2+]3)cc2)c1 ZINC000863715414 621703142 /nfs/dbraw/zinc/70/31/42/621703142.db2.gz QZIOWDPPMTXZEW-MRXNPFEDSA-N 1 0 312.369 3.049 20 5 DGBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000761216379 621995192 /nfs/dbraw/zinc/99/51/92/621995192.db2.gz PQLAGROKTOEEJL-QCZZGDTMSA-N 1 0 312.797 3.397 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000761216375 621995248 /nfs/dbraw/zinc/99/52/48/621995248.db2.gz PQLAGROKTOEEJL-OWYVNGRQSA-N 1 0 312.797 3.397 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000865786959 621995436 /nfs/dbraw/zinc/99/54/36/621995436.db2.gz VSPOKDDSISTMDZ-UHFFFAOYSA-N 1 0 315.329 3.410 20 5 DGBDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000865788089 621995873 /nfs/dbraw/zinc/99/58/73/621995873.db2.gz YLBIGSBQWNVVQT-UHFFFAOYSA-N 1 0 302.378 3.279 20 5 DGBDRO Cc1nn(C[N@H+]2CCC[C@H]2C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761287732 621998991 /nfs/dbraw/zinc/99/89/91/621998991.db2.gz AYWYUNDSAJAGMX-HNNXBMFYSA-N 1 0 302.378 3.331 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865874869 622013500 /nfs/dbraw/zinc/01/35/00/622013500.db2.gz KLLAUKBLHAENJV-HFTQHKIXSA-N 1 0 304.390 3.139 20 5 DGBDRO CC[C@@H]1C[N@H+](C)CCCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000865925633 622021370 /nfs/dbraw/zinc/02/13/70/622021370.db2.gz KKVKBZDIODOEPO-LLVKDONJSA-N 1 0 320.418 3.125 20 5 DGBDRO C[C@H](Cc1ccco1)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866222542 622069475 /nfs/dbraw/zinc/06/94/75/622069475.db2.gz IUGJHKMCHDYTRH-VXGBXAGGSA-N 1 0 306.337 3.479 20 5 DGBDRO Cc1csc(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866229424 622070754 /nfs/dbraw/zinc/07/07/54/622070754.db2.gz PMGZMOQMZOKTLK-SNVBAGLBSA-N 1 0 323.393 3.262 20 5 DGBDRO Cc1cnc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866274374 622082321 /nfs/dbraw/zinc/08/23/21/622082321.db2.gz JVEVOEQLROBHOR-SECBINFHSA-N 1 0 309.366 3.220 20 5 DGBDRO CCc1cnc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866274999 622082846 /nfs/dbraw/zinc/08/28/46/622082846.db2.gz WNRXHFRBPQIXJP-SNVBAGLBSA-N 1 0 323.393 3.474 20 5 DGBDRO CCC1(O)CCC([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866289205 622086094 /nfs/dbraw/zinc/08/60/94/622086094.db2.gz WIBKLGQJGWFDMM-VWDMACCTSA-N 1 0 324.396 3.338 20 5 DGBDRO Cc1ncc(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866307853 622090197 /nfs/dbraw/zinc/09/01/97/622090197.db2.gz LCOONDYTBLPHFE-SNVBAGLBSA-N 1 0 323.393 3.262 20 5 DGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866314745 622092049 /nfs/dbraw/zinc/09/20/49/622092049.db2.gz OHZCSNQWFORACL-AXAPSJFSSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000866337239 622096830 /nfs/dbraw/zinc/09/68/30/622096830.db2.gz VTTKRSMJYLALTH-HZSPNIEDSA-N 1 0 324.396 3.460 20 5 DGBDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])ccn1 ZINC000866365444 622104140 /nfs/dbraw/zinc/10/41/40/622104140.db2.gz GYPHJJIHCBBCCE-LBPRGKRZSA-N 1 0 303.337 3.158 20 5 DGBDRO Cc1ncsc1CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866367948 622104469 /nfs/dbraw/zinc/10/44/69/622104469.db2.gz RUOOPLBEPVLXHB-JTQLQIEISA-N 1 0 323.393 3.262 20 5 DGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866368781 622104576 /nfs/dbraw/zinc/10/45/76/622104576.db2.gz GTZWATRFYAEPMP-DJSGYFEHSA-N 1 0 310.369 3.212 20 5 DGBDRO CCc1ncc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000866372153 622105558 /nfs/dbraw/zinc/10/55/58/622105558.db2.gz OVEFIDTYWCJTHZ-SNVBAGLBSA-N 1 0 307.325 3.005 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CCSC1 ZINC000866401464 622111446 /nfs/dbraw/zinc/11/14/46/622111446.db2.gz AMOZPGHAOISFTI-NEPJUHHUSA-N 1 0 312.410 3.398 20 5 DGBDRO CC(=O)c1c(NCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000763206872 622129821 /nfs/dbraw/zinc/12/98/21/622129821.db2.gz MNPOONNKHQKBAC-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866529659 622132234 /nfs/dbraw/zinc/13/22/34/622132234.db2.gz IANZAAGLLDEHEZ-XJKSGUPXSA-N 1 0 316.401 3.379 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1ccc([N+](=O)[O-])cc1 ZINC000866562316 622138273 /nfs/dbraw/zinc/13/82/73/622138273.db2.gz RIIGPKULKVWKEC-FZKQIMNGSA-N 1 0 311.385 3.432 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000866614190 622147070 /nfs/dbraw/zinc/14/70/70/622147070.db2.gz LMXYPBLRNYKEIR-ABAIWWIYSA-N 1 0 314.389 3.402 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1Cl ZINC000763476583 622147457 /nfs/dbraw/zinc/14/74/57/622147457.db2.gz CIJZLFMWOPRPAG-GFCCVEGCSA-N 1 0 318.760 3.211 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C1CCCC1 ZINC000866638016 622151694 /nfs/dbraw/zinc/15/16/94/622151694.db2.gz CGEKZTVQCGNOQX-YVEFUNNKSA-N 1 0 324.396 3.196 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H](O)C1CCCC1 ZINC000866638786 622152264 /nfs/dbraw/zinc/15/22/64/622152264.db2.gz KUZLSKOIEROULD-WBMJQRKESA-N 1 0 322.405 3.195 20 5 DGBDRO CC[NH+]1CCC(N(C)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000764111328 622180224 /nfs/dbraw/zinc/18/02/24/622180224.db2.gz BSIOIKGDKGHVGZ-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1nn(C[N@H+]2CCC[C@H]2C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764914624 622232505 /nfs/dbraw/zinc/23/25/05/622232505.db2.gz IVXVIXCXFFDUJZ-HNNXBMFYSA-N 1 0 302.378 3.331 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000765845130 622290986 /nfs/dbraw/zinc/29/09/86/622290986.db2.gz MVFWKROLHNRKKG-GLJUWKHASA-N 1 0 314.385 3.410 20 5 DGBDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848975 622291469 /nfs/dbraw/zinc/29/14/69/622291469.db2.gz MNEMGHHPTBSSNI-PJSAGSTRSA-N 1 0 312.369 3.151 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)C)cc1[N+](=O)[O-] ZINC000768097942 622438396 /nfs/dbraw/zinc/43/83/96/622438396.db2.gz HRBRLEHBNHEFFP-JSGCOSHPSA-N 1 0 310.394 3.051 20 5 DGBDRO C[C@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000870789908 622511191 /nfs/dbraw/zinc/51/11/91/622511191.db2.gz ZMTBAPHTNPBSBS-CHWSQXEVSA-N 1 0 306.362 3.015 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2ccnc(F)c2[N+](=O)[O-])c1 ZINC000881837437 625575430 /nfs/dbraw/zinc/57/54/30/625575430.db2.gz SQOVRVRDUBKDPM-UHFFFAOYSA-N 1 0 318.352 3.193 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)Cn1ccnc1 ZINC000872021155 622756285 /nfs/dbraw/zinc/75/62/85/622756285.db2.gz NQOUHHSPEGVRIR-NEPJUHHUSA-N 1 0 320.418 3.253 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872024935 622759022 /nfs/dbraw/zinc/75/90/22/622759022.db2.gz XNBJIKFMHKMESS-OLZOCXBDSA-N 1 0 309.385 3.116 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCn1ccnc1C ZINC000872030770 622763151 /nfs/dbraw/zinc/76/31/51/622763151.db2.gz JGFNQHHPHWVGTE-NSHDSACASA-N 1 0 320.418 3.172 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCC1CC1 ZINC000872034606 622765823 /nfs/dbraw/zinc/76/58/23/622765823.db2.gz ICZCABMWAIHHFB-LLVKDONJSA-N 1 0 310.419 3.394 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)C[C@H](C)O ZINC000872039335 622769028 /nfs/dbraw/zinc/76/90/28/622769028.db2.gz SMRVQUQGYMZRIS-WOPDTQHZSA-N 1 0 312.435 3.374 20 5 DGBDRO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040869 622769912 /nfs/dbraw/zinc/76/99/12/622769912.db2.gz NWAWBYGBFCYVCB-GFCCVEGCSA-N 1 0 310.369 3.327 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1c(F)cccc1[N+](=O)[O-] ZINC000872045220 622772278 /nfs/dbraw/zinc/77/22/78/622772278.db2.gz YRFVHJCORYIEHU-FMVNMVDZSA-N 1 0 308.353 3.342 20 5 DGBDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])[nH]n1 ZINC000872049960 622775649 /nfs/dbraw/zinc/77/56/49/622775649.db2.gz XNVGYKKPOGMAMT-KOLCDFICSA-N 1 0 306.341 3.047 20 5 DGBDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])[nH]n1 ZINC000872049962 622775933 /nfs/dbraw/zinc/77/59/33/622775933.db2.gz XNVGYKKPOGMAMT-ONGXEEELSA-N 1 0 306.341 3.047 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052066 622777210 /nfs/dbraw/zinc/77/72/10/622777210.db2.gz AZDCUVDBTBQXRM-NEPJUHHUSA-N 1 0 324.352 3.070 20 5 DGBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872063440 622783704 /nfs/dbraw/zinc/78/37/04/622783704.db2.gz PRPQXUVCYINXBH-RUULKOMLSA-N 1 0 310.419 3.294 20 5 DGBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872063438 622783904 /nfs/dbraw/zinc/78/39/04/622783904.db2.gz PRPQXUVCYINXBH-GKUNOOHESA-N 1 0 310.419 3.294 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(C)(C)CO ZINC000872076295 622792132 /nfs/dbraw/zinc/79/21/32/622792132.db2.gz YYEWKQFWTZTVMN-LLVKDONJSA-N 1 0 312.435 3.376 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000872078784 622792884 /nfs/dbraw/zinc/79/28/84/622792884.db2.gz JSHBSCXNZSLXOW-LERXQTSPSA-N 1 0 308.353 3.342 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)C1CCC1 ZINC000872078821 622793196 /nfs/dbraw/zinc/79/31/96/622793196.db2.gz SESAEPVCMQZMMA-IINYFYTJSA-N 1 0 310.419 3.128 20 5 DGBDRO C[C@@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086238 622796971 /nfs/dbraw/zinc/79/69/71/622796971.db2.gz VPOXABAVMYBKTH-VXGBXAGGSA-N 1 0 309.385 3.257 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872107651 622810145 /nfs/dbraw/zinc/81/01/45/622810145.db2.gz OAAONKBXJWSUHR-PZNPJNSTSA-N 1 0 302.374 3.129 20 5 DGBDRO CCC[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000872113386 622815034 /nfs/dbraw/zinc/81/50/34/622815034.db2.gz PAVCMZUTEHEDDA-BBRMVZONSA-N 1 0 320.389 3.369 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000872129570 622824128 /nfs/dbraw/zinc/82/41/28/622824128.db2.gz LOTMMYZQRJHCKE-BREBYQMCSA-N 1 0 318.295 3.355 20 5 DGBDRO Cc1scc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000872221369 622860800 /nfs/dbraw/zinc/86/08/00/622860800.db2.gz ZEBNQTZTYZSEDH-OAHLLOKOSA-N 1 0 306.387 3.096 20 5 DGBDRO Cc1scc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000872221368 622861052 /nfs/dbraw/zinc/86/10/52/622861052.db2.gz ZEBNQTZTYZSEDH-HNNXBMFYSA-N 1 0 306.387 3.096 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)[C@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000872249243 622867478 /nfs/dbraw/zinc/86/74/78/622867478.db2.gz GMVUJBFWTJZHHX-LBTNJELSSA-N 1 0 314.385 3.410 20 5 DGBDRO CC1(C)C[NH2+]CC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000872253098 622868172 /nfs/dbraw/zinc/86/81/72/622868172.db2.gz ZWENGHMVSOATCS-CYBMUJFWSA-N 1 0 311.813 3.116 20 5 DGBDRO CC1([NH+]2CCCCC2)CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000872663078 622949233 /nfs/dbraw/zinc/94/92/33/622949233.db2.gz LVFAMCVHVXRTBK-UHFFFAOYSA-N 1 0 318.421 3.022 20 5 DGBDRO COC[C@@H](CC(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000773036613 622972153 /nfs/dbraw/zinc/97/21/53/622972153.db2.gz QUCURYCHGZYPMN-GFCCVEGCSA-N 1 0 300.786 3.399 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(F)n1 ZINC000773091419 622982346 /nfs/dbraw/zinc/98/23/46/622982346.db2.gz XFFXJQKVSUFIRB-GFCCVEGCSA-N 1 0 303.337 3.240 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](c2cccs2)N(C)C)cccc1[N+](=O)[O-] ZINC000873007743 623015895 /nfs/dbraw/zinc/01/58/95/623015895.db2.gz DKCRHIRBOTYQRP-HNNXBMFYSA-N 1 0 319.430 3.357 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873051426 623025917 /nfs/dbraw/zinc/02/59/17/623025917.db2.gz BQDJDPRPDCHAPB-PXAZEXFGSA-N 1 0 318.348 3.254 20 5 DGBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873071388 623030406 /nfs/dbraw/zinc/03/04/06/623030406.db2.gz ICCAXWCODUSWTK-HLFMIMNKSA-N 1 0 324.446 3.073 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000873097951 623036363 /nfs/dbraw/zinc/03/63/63/623036363.db2.gz ZQWBDAXKKHDNHG-BLLLJJGKSA-N 1 0 318.373 3.406 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873126475 623042164 /nfs/dbraw/zinc/04/21/64/623042164.db2.gz HPWBIRKMDXYJRQ-SUMWQHHRSA-N 1 0 300.358 3.115 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C2CC2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000873133031 623043446 /nfs/dbraw/zinc/04/34/46/623043446.db2.gz MSGVEICBBDURNI-KRWDZBQOSA-N 1 0 304.390 3.198 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873155419 623053780 /nfs/dbraw/zinc/05/37/80/623053780.db2.gz FMRRNPPURNMJJQ-UZQBGZKFSA-N 1 0 302.374 3.155 20 5 DGBDRO COc1ccc(C[NH2+]CCc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000124700313 623216717 /nfs/dbraw/zinc/21/67/17/623216717.db2.gz QQQULPQWTOTAHK-UHFFFAOYSA-N 1 0 322.311 3.214 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000775021608 623217503 /nfs/dbraw/zinc/21/75/03/623217503.db2.gz RFZMLZQXXFBXNB-SUZKBHRPSA-N 1 0 312.369 3.240 20 5 DGBDRO CN(CC[C@@H]1CCC[N@@H+]1C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000124842976 623244601 /nfs/dbraw/zinc/24/46/01/623244601.db2.gz KTOKZFCRACNJHB-ZDUSSCGKSA-N 1 0 311.813 3.164 20 5 DGBDRO C[C@H](NC(=O)CCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000775601190 623294215 /nfs/dbraw/zinc/29/42/15/623294215.db2.gz RPHJSOOPCVBCMX-AWEZNQCLSA-N 1 0 319.405 3.038 20 5 DGBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000776273996 623404975 /nfs/dbraw/zinc/40/49/75/623404975.db2.gz AXNHDMPYMADUCE-SJKOYZFVSA-N 1 0 318.348 3.161 20 5 DGBDRO C[N@@H+](Cc1ccccc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272493 623405077 /nfs/dbraw/zinc/40/50/77/623405077.db2.gz UIWSXQMIZSANET-INIZCTEOSA-N 1 0 320.776 3.414 20 5 DGBDRO CC[N@@H+](Cc1cccs1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271351 623405231 /nfs/dbraw/zinc/40/52/31/623405231.db2.gz LGBUDXNGLOMXAR-OAHLLOKOSA-N 1 0 306.387 3.212 20 5 DGBDRO C[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275172 623405288 /nfs/dbraw/zinc/40/52/88/623405288.db2.gz JMHVKWAELABVMX-NHYWBVRUSA-N 1 0 318.398 3.309 20 5 DGBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000776273995 623405334 /nfs/dbraw/zinc/40/53/34/623405334.db2.gz AXNHDMPYMADUCE-SJCJKPOMSA-N 1 0 318.348 3.161 20 5 DGBDRO Cc1cccc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776276412 623406221 /nfs/dbraw/zinc/40/62/21/623406221.db2.gz JQEITHBFLQQPSV-KRWDZBQOSA-N 1 0 300.358 3.069 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000776578164 623442197 /nfs/dbraw/zinc/44/21/97/623442197.db2.gz DRTIXCGBOQJWIQ-SJLPKXTDSA-N 1 0 312.369 3.118 20 5 DGBDRO CC(C)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584294 623443366 /nfs/dbraw/zinc/44/33/66/623443366.db2.gz KJMOSKXPLBIJJO-PBHICJAKSA-N 1 0 306.406 3.386 20 5 DGBDRO C[C@@H](C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776581887 623443440 /nfs/dbraw/zinc/44/34/40/623443440.db2.gz OINDBKKVYOWWMA-KSSFIOAISA-N 1 0 314.385 3.364 20 5 DGBDRO CCSCC[C@@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590067 623443959 /nfs/dbraw/zinc/44/39/59/623443959.db2.gz BAYKZRFVNGSTEF-IUODEOHRSA-N 1 0 312.435 3.092 20 5 DGBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593117 623445210 /nfs/dbraw/zinc/44/52/10/623445210.db2.gz PDAZGSYXSDQFSZ-SJCJKPOMSA-N 1 0 316.357 3.027 20 5 DGBDRO CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000777013345 623485701 /nfs/dbraw/zinc/48/57/01/623485701.db2.gz USQVBISIKBBMTB-JOYOIKCWSA-N 1 0 306.284 3.131 20 5 DGBDRO CC[C@H](C)C[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955574 623590169 /nfs/dbraw/zinc/59/01/69/623590169.db2.gz PHWDJVDJUMYCIW-ZDUSSCGKSA-N 1 0 302.378 3.394 20 5 DGBDRO CC(C)CC[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777953144 623590212 /nfs/dbraw/zinc/59/02/12/623590212.db2.gz APLBZIVUIFYDBE-UHFFFAOYSA-N 1 0 302.378 3.394 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000876649994 623670528 /nfs/dbraw/zinc/67/05/28/623670528.db2.gz LAMCWBBUZRGEFE-UHFFFAOYSA-N 1 0 314.389 3.314 20 5 DGBDRO CC[C@@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000778613790 623676845 /nfs/dbraw/zinc/67/68/45/623676845.db2.gz IYFODXZFRAUBIG-JSGCOSHPSA-N 1 0 308.378 3.319 20 5 DGBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000876945932 623751068 /nfs/dbraw/zinc/75/10/68/623751068.db2.gz LXCRQRYKDBVYPU-TVRADYJESA-N 1 0 316.361 3.001 20 5 DGBDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000876987566 623760489 /nfs/dbraw/zinc/76/04/89/623760489.db2.gz AZMSQVHPLKQEFJ-GFCCVEGCSA-N 1 0 320.311 3.110 20 5 DGBDRO CC[C@H](Cc1ccccc1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877005883 623764344 /nfs/dbraw/zinc/76/43/44/623764344.db2.gz WXWZDNFBBOYGLG-QQFBHYJXSA-N 1 0 314.389 3.106 20 5 DGBDRO CC[C@@H](Cc1ccccc1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877005881 623764497 /nfs/dbraw/zinc/76/44/97/623764497.db2.gz WXWZDNFBBOYGLG-FHERZECASA-N 1 0 314.389 3.106 20 5 DGBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877007232 623765208 /nfs/dbraw/zinc/76/52/08/623765208.db2.gz IDJHCBRRNGACKI-UWLZSVRSSA-N 1 0 306.410 3.443 20 5 DGBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)(C)C ZINC000877041897 623773863 /nfs/dbraw/zinc/77/38/63/623773863.db2.gz KEZIBUMOEKCMJJ-ZDUSSCGKSA-N 1 0 320.437 3.230 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[C@@H]4CCC[C@@H]4C3)C2)c1 ZINC000877042729 623774326 /nfs/dbraw/zinc/77/43/26/623774326.db2.gz VRHVXOOQKRVAEN-JIPNABBHSA-N 1 0 304.394 3.053 20 5 DGBDRO Cc1ccc(C[C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000877052432 623776978 /nfs/dbraw/zinc/77/69/78/623776978.db2.gz WSTUGAAJHXIREV-PKSQDBQZSA-N 1 0 320.418 3.086 20 5 DGBDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877127642 623797853 /nfs/dbraw/zinc/79/78/53/623797853.db2.gz LXZHYACPLKAMRE-RDTXWAMCSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877127640 623797875 /nfs/dbraw/zinc/79/78/75/623797875.db2.gz LXZHYACPLKAMRE-KDOFPFPSSA-N 1 0 314.385 3.239 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(CCCO)CC1 ZINC000877194473 623824848 /nfs/dbraw/zinc/82/48/48/623824848.db2.gz NZEBZPPELQXRQY-UHFFFAOYSA-N 1 0 306.406 3.196 20 5 DGBDRO Cc1cc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)ccc1Cl ZINC000877341002 623855349 /nfs/dbraw/zinc/85/53/49/623855349.db2.gz STIFEXXKNSVBGW-UHFFFAOYSA-N 1 0 320.780 3.246 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(Cl)cc3F)C2)c1 ZINC000877426666 623876456 /nfs/dbraw/zinc/87/64/56/623876456.db2.gz OTENVGAHWBVFEN-UHFFFAOYSA-N 1 0 324.743 3.077 20 5 DGBDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000877519646 623920283 /nfs/dbraw/zinc/92/02/83/623920283.db2.gz YXZNPVAYNBCACB-RDTXWAMCSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@]1(C)CCCO ZINC000877528609 623925922 /nfs/dbraw/zinc/92/59/22/623925922.db2.gz FRGDBYDMPXRTOK-QGZVFWFLSA-N 1 0 306.406 3.339 20 5 DGBDRO CC(C)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000780497550 623939507 /nfs/dbraw/zinc/93/95/07/623939507.db2.gz LJJYASQVMJHNEF-ZDUSSCGKSA-N 1 0 302.378 3.270 20 5 DGBDRO C[C@H]([NH2+]Cc1cccn(C(F)F)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000877557135 623940626 /nfs/dbraw/zinc/94/06/26/623940626.db2.gz GRHBXIKIWWRVDG-JTQLQIEISA-N 1 0 323.299 3.002 20 5 DGBDRO CC1(C)CCC[C@H]1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877647223 623976722 /nfs/dbraw/zinc/97/67/22/623976722.db2.gz CFDIVKCHMZHUPF-HSBZDZAISA-N 1 0 306.410 3.301 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCSC2)cc1Cl ZINC000877662729 623981657 /nfs/dbraw/zinc/98/16/57/623981657.db2.gz XICCCJOZPOTBRN-SNVBAGLBSA-N 1 0 300.811 3.481 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000877739598 624012149 /nfs/dbraw/zinc/01/21/49/624012149.db2.gz ORAKWRIHMJTAIC-JQWIXIFHSA-N 1 0 312.822 3.433 20 5 DGBDRO OC[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1CO ZINC000877764784 624027520 /nfs/dbraw/zinc/02/75/20/624027520.db2.gz PBXPLVKWQAISAA-HDICACEKSA-N 1 0 321.420 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2([C@@H]3CCCCO3)CCC2)cc1 ZINC000877770895 624030755 /nfs/dbraw/zinc/03/07/55/624030755.db2.gz HRQPSBLGCRHFLY-INIZCTEOSA-N 1 0 304.390 3.219 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1Cl ZINC000877778583 624033488 /nfs/dbraw/zinc/03/34/88/624033488.db2.gz RPHRGJTUBRVJOD-GFCCVEGCSA-N 1 0 306.753 3.069 20 5 DGBDRO Cc1csc([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000877813596 624046386 /nfs/dbraw/zinc/04/63/86/624046386.db2.gz MUHSWOOLQOKWQD-ZDUSSCGKSA-N 1 0 303.387 3.349 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCCCCC2)o1 ZINC000877942362 624103183 /nfs/dbraw/zinc/10/31/83/624103183.db2.gz CXHIJKZMQJDTLB-UHFFFAOYSA-N 1 0 302.334 3.021 20 5 DGBDRO CC(C)C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000877958771 624111052 /nfs/dbraw/zinc/11/10/52/624111052.db2.gz XFGBJDPIOLOLQT-UHFFFAOYSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878002305 624131456 /nfs/dbraw/zinc/13/14/56/624131456.db2.gz UOSOBXKYQAGFGC-GFCCVEGCSA-N 1 0 316.361 3.267 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878508870 624293586 /nfs/dbraw/zinc/29/35/86/624293586.db2.gz VEURPGJKDXIJGB-WCQYABFASA-N 1 0 316.361 3.313 20 5 DGBDRO Cn1cc(C[NH2+]Cc2c3ccccc3cc3ccccc32)nn1 ZINC000782967885 624297318 /nfs/dbraw/zinc/29/73/18/624297318.db2.gz DIHXHBJPXSBUDF-UHFFFAOYSA-N 1 0 302.381 3.411 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000783309412 624337479 /nfs/dbraw/zinc/33/74/79/624337479.db2.gz IQMBWXFDQAOZNO-GXTWGEPZSA-N 1 0 306.362 3.337 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C ZINC000127391478 624377496 /nfs/dbraw/zinc/37/74/96/624377496.db2.gz CBKRPHSGOVEINX-QKVFXAPYSA-N 1 0 312.435 3.101 20 5 DGBDRO C[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000783778796 624395119 /nfs/dbraw/zinc/39/51/19/624395119.db2.gz SCENKCQWTINOSB-GRYCIOLGSA-N 1 0 324.352 3.038 20 5 DGBDRO CC(C)[C@@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000783775668 624395532 /nfs/dbraw/zinc/39/55/32/624395532.db2.gz HYJQDCZXNGLKIA-BBRMVZONSA-N 1 0 320.389 3.319 20 5 DGBDRO CCOc1cc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000879564940 624592523 /nfs/dbraw/zinc/59/25/23/624592523.db2.gz JRNACBCJXDYVDZ-KBPBESRZSA-N 1 0 322.430 3.178 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(C)(C)O)CC1 ZINC000879627783 624612431 /nfs/dbraw/zinc/61/24/31/624612431.db2.gz RPICIBPMMOAIFP-ZDUSSCGKSA-N 1 0 306.406 3.447 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879733428 624657302 /nfs/dbraw/zinc/65/73/02/624657302.db2.gz VNARDBXTTKZLIE-HNNXBMFYSA-N 1 0 308.353 3.315 20 5 DGBDRO Cc1c(C[N@@H+]2CC[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000880316158 624912490 /nfs/dbraw/zinc/91/24/90/624912490.db2.gz DQXHDUNICITIJC-CYBMUJFWSA-N 1 0 303.387 3.349 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@]1(C)c1ccccc1 ZINC000880371649 624939100 /nfs/dbraw/zinc/93/91/00/624939100.db2.gz MUUWBVVVQMUWPX-KRWDZBQOSA-N 1 0 314.389 3.111 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)c1ccco1 ZINC000786810781 624955454 /nfs/dbraw/zinc/95/54/54/624955454.db2.gz ANMXQMOUMDYOGI-VEMDQMBVSA-N 1 0 316.357 3.088 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CSCCS1 ZINC000786813616 624956005 /nfs/dbraw/zinc/95/60/05/624956005.db2.gz DOBYHNOYBASFJC-WASHYIJTSA-N 1 0 324.471 3.436 20 5 DGBDRO Cc1ccc(C[NH+]2CCC3(CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000880458721 624960088 /nfs/dbraw/zinc/96/00/88/624960088.db2.gz JMCXQYCRFSCXMQ-UHFFFAOYSA-N 1 0 304.390 3.438 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000880456984 624960112 /nfs/dbraw/zinc/96/01/12/624960112.db2.gz AGHDUENLKVXUPO-UHFFFAOYSA-N 1 0 320.389 3.139 20 5 DGBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000880459217 624960132 /nfs/dbraw/zinc/96/01/32/624960132.db2.gz DCRYCKDTBFBSHM-QGZVFWFLSA-N 1 0 300.358 3.150 20 5 DGBDRO O=C(OCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786877313 624960678 /nfs/dbraw/zinc/96/06/78/624960678.db2.gz CWJYFKCXGOSZEO-MRXNPFEDSA-N 1 0 318.373 3.045 20 5 DGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CO)c1ccccc1 ZINC000880461776 624961354 /nfs/dbraw/zinc/96/13/54/624961354.db2.gz JJKIXSDRAOVDAG-QGZVFWFLSA-N 1 0 318.348 3.289 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880496583 624966599 /nfs/dbraw/zinc/96/65/99/624966599.db2.gz DEDKOAWNURWUNA-CABCVRRESA-N 1 0 310.781 3.440 20 5 DGBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787305561 624999428 /nfs/dbraw/zinc/99/94/28/624999428.db2.gz IRMJIVWWUUDWFI-OWCLPIDISA-N 1 0 324.446 3.282 20 5 DGBDRO C[NH+](C)C1(CNc2cc(N)ccc2[N+](=O)[O-])CCCCCC1 ZINC000787889357 625070445 /nfs/dbraw/zinc/07/04/45/625070445.db2.gz MGRNIHKHAPYDNC-UHFFFAOYSA-N 1 0 306.410 3.244 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788587537 625222281 /nfs/dbraw/zinc/22/22/81/625222281.db2.gz JMFZEBKZHKHUGE-AWEZNQCLSA-N 1 0 317.776 3.463 20 5 DGBDRO CC(C)[NH+](CCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000788609939 625226987 /nfs/dbraw/zinc/22/69/87/625226987.db2.gz KHBFEELCURSIFJ-AWEZNQCLSA-N 1 0 322.453 3.337 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C12CCC2 ZINC000788607060 625227525 /nfs/dbraw/zinc/22/75/25/625227525.db2.gz BWXBDWHCWMWBIC-XFBWCDHKSA-N 1 0 319.405 3.175 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC000788647452 625235695 /nfs/dbraw/zinc/23/56/95/625235695.db2.gz UHVLJJIAOQRTRK-STQMWFEESA-N 1 0 315.373 3.295 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788756420 625259498 /nfs/dbraw/zinc/25/94/98/625259498.db2.gz WKXISWKKFZPTJU-PVUWLOKVSA-N 1 0 321.421 3.421 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788814350 625273506 /nfs/dbraw/zinc/27/35/06/625273506.db2.gz LEYFWVBLBQWEJZ-OCCSQVGLSA-N 1 0 321.421 3.016 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788814349 625273916 /nfs/dbraw/zinc/27/39/16/625273916.db2.gz LEYFWVBLBQWEJZ-JSGCOSHPSA-N 1 0 321.421 3.016 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)c1ccccc1F ZINC000130361320 625842010 /nfs/dbraw/zinc/84/20/10/625842010.db2.gz SHQMRUAFHNLKKF-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO COCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000792464050 625947972 /nfs/dbraw/zinc/94/79/72/625947972.db2.gz KRSDHLJWRVBOOQ-DOMZBBRYSA-N 1 0 310.369 3.371 20 5 DGBDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000796486778 626055756 /nfs/dbraw/zinc/05/57/56/626055756.db2.gz QBPRKVCOVDFAKZ-RDTXWAMCSA-N 1 0 314.385 3.423 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cc(C)nc(Cl)c2)cc1[N+](=O)[O-] ZINC000797597031 626157717 /nfs/dbraw/zinc/15/77/17/626157717.db2.gz BPQNWICFEGTTPU-UHFFFAOYSA-N 1 0 321.764 3.250 20 5 DGBDRO CN(CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000798958117 626262664 /nfs/dbraw/zinc/26/26/64/626262664.db2.gz NICOQMFSIOLJGC-UHFFFAOYSA-N 1 0 311.813 3.166 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000799731025 626325425 /nfs/dbraw/zinc/32/54/25/626325425.db2.gz KVJAYDURNZOBSK-PBHICJAKSA-N 1 0 314.385 3.239 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)cc1F ZINC000801521922 626407520 /nfs/dbraw/zinc/40/75/20/626407520.db2.gz NGIRKSDEDVKMLG-UHFFFAOYSA-N 1 0 316.332 3.040 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccns1)CCC2 ZINC000883247433 626623322 /nfs/dbraw/zinc/62/33/22/626623322.db2.gz KBCXDKJFDSRTBR-OAHLLOKOSA-N 1 0 303.387 3.261 20 5 DGBDRO C[C@@H](OC(=O)CC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000803858872 626645063 /nfs/dbraw/zinc/64/50/63/626645063.db2.gz KHKXOZQXMXNSMN-UKRRQHHQSA-N 1 0 320.389 3.464 20 5 DGBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883352692 626657144 /nfs/dbraw/zinc/65/71/44/626657144.db2.gz GNGKPDYFXMJLOY-QBGJIXDNSA-N 1 0 304.390 3.403 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCOC1 ZINC000883352522 626657281 /nfs/dbraw/zinc/65/72/81/626657281.db2.gz CJJVMEGGQSHUFY-ZENOOKHLSA-N 1 0 322.405 3.459 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](CC(C)C)[NH+](C)C ZINC000804340319 626671346 /nfs/dbraw/zinc/67/13/46/626671346.db2.gz BAJMCISVKALUIH-AWEZNQCLSA-N 1 0 307.394 3.186 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000804349172 626672377 /nfs/dbraw/zinc/67/23/77/626672377.db2.gz JTZIGEIIYXECBY-CHWSQXEVSA-N 1 0 319.405 3.330 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+](C(C)C)C(C)C ZINC000807916417 626777364 /nfs/dbraw/zinc/77/73/64/626777364.db2.gz SUQRZRKJIFALTM-UHFFFAOYSA-N 1 0 307.394 3.328 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[N@H+]1CCCC[C@H]1C ZINC000807926041 626778265 /nfs/dbraw/zinc/77/82/65/626778265.db2.gz FEQPWJXSSWLJSN-GFCCVEGCSA-N 1 0 305.378 3.084 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000807989332 626783061 /nfs/dbraw/zinc/78/30/61/626783061.db2.gz LVQOMPOVFIUGHB-STQMWFEESA-N 1 0 305.378 3.082 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000800178831 626820300 /nfs/dbraw/zinc/82/03/00/626820300.db2.gz DRZJHKVCYQHCSK-UHFFFAOYSA-N 1 0 314.769 3.137 20 5 DGBDRO Cc1ccc([C@@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000884171190 626844381 /nfs/dbraw/zinc/84/43/81/626844381.db2.gz PFBXHKFIOPMTSI-DOMZBBRYSA-N 1 0 321.421 3.090 20 5 DGBDRO C[N@H+](CCCCNc1ncc([N+](=O)[O-])c2ccccc21)C1CC1 ZINC000884526457 626896152 /nfs/dbraw/zinc/89/61/52/626896152.db2.gz VDOYVVOCYHTIOJ-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000809354811 626906363 /nfs/dbraw/zinc/90/63/63/626906363.db2.gz DYANQIIZATUFSL-LLVKDONJSA-N 1 0 313.348 3.310 20 5 DGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000840177192 626913695 /nfs/dbraw/zinc/91/36/95/626913695.db2.gz GZRZKOHCIVUXAL-HNNXBMFYSA-N 1 0 312.373 3.019 20 5 DGBDRO Cc1[nH]c(C2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884706626 626932538 /nfs/dbraw/zinc/93/25/38/626932538.db2.gz JJBDBIPLDDAVMQ-UHFFFAOYSA-N 1 0 318.352 3.458 20 5 DGBDRO CSc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809734646 626943441 /nfs/dbraw/zinc/94/34/41/626943441.db2.gz JGFXMBMBBKUILM-UHFFFAOYSA-N 1 0 317.414 3.282 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)c2ccccc2)cc1Cl ZINC000809748956 626946222 /nfs/dbraw/zinc/94/62/22/626946222.db2.gz ZZOJEYBOPGKDKU-MRXNPFEDSA-N 1 0 320.776 3.462 20 5 DGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767798 626949922 /nfs/dbraw/zinc/94/99/22/626949922.db2.gz UMRWEURBJLKJFY-MLGOLLRUSA-N 1 0 323.824 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCSC2)cc1Cl ZINC000809778220 626950918 /nfs/dbraw/zinc/95/09/18/626950918.db2.gz MQYZOKYNKLWOKQ-LLVKDONJSA-N 1 0 300.811 3.481 20 5 DGBDRO COc1cc(C)cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1OC ZINC000885926354 627061874 /nfs/dbraw/zinc/06/18/74/627061874.db2.gz BNUGJIAQHFOHRT-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@]12CCOC2 ZINC000885965905 627072140 /nfs/dbraw/zinc/07/21/40/627072140.db2.gz YAXLLUKKQSHDKT-RDJZCZTQSA-N 1 0 304.390 3.232 20 5 DGBDRO Cc1n[nH]c(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1C ZINC000886000116 627079870 /nfs/dbraw/zinc/07/98/70/627079870.db2.gz VMKHOXCDCUMBPW-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C12CCCCC2 ZINC000886171721 627117178 /nfs/dbraw/zinc/11/71/78/627117178.db2.gz MRJHSXQXPQCXLM-GJZGRUSLSA-N 1 0 319.405 3.207 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)c(Cl)c1 ZINC000886288812 627131798 /nfs/dbraw/zinc/13/17/98/627131798.db2.gz HXHHMXVUCPQBKN-ZDUSSCGKSA-N 1 0 310.781 3.297 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000886540161 627159532 /nfs/dbraw/zinc/15/95/32/627159532.db2.gz ABUIPLUSLQMOEF-CXAGYDPISA-N 1 0 314.389 3.183 20 5 DGBDRO Cc1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)[nH]c1C ZINC000886666581 627184371 /nfs/dbraw/zinc/18/43/71/627184371.db2.gz VQBJQOXKFKELNR-UHFFFAOYSA-N 1 0 314.389 3.314 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000886719915 627197488 /nfs/dbraw/zinc/19/74/88/627197488.db2.gz LVWKUEREDVRVMX-UHFFFAOYSA-N 1 0 317.433 3.354 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886822203 627208476 /nfs/dbraw/zinc/20/84/76/627208476.db2.gz NPMNSCSUCOCLDV-ZQIUZPCESA-N 1 0 304.390 3.465 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872742 627212001 /nfs/dbraw/zinc/21/20/01/627212001.db2.gz ZWUMSGXVPTWRKL-MRXNPFEDSA-N 1 0 323.824 3.214 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(C4CC4)CCC3)o2)cc1 ZINC000887145146 627229281 /nfs/dbraw/zinc/22/92/81/627229281.db2.gz PICCAJWAAQLAND-UHFFFAOYSA-N 1 0 314.345 3.067 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+]C2(C3CC3)CCC2)o1 ZINC000887148802 627229648 /nfs/dbraw/zinc/22/96/48/627229648.db2.gz WXULUVKLLXXGPP-UHFFFAOYSA-N 1 0 314.345 3.067 20 5 DGBDRO CC(C)C[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811475970 627279146 /nfs/dbraw/zinc/27/91/46/627279146.db2.gz DTTNWUSWWPKNKV-NSHDSACASA-N 1 0 321.204 3.398 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811520250 627287039 /nfs/dbraw/zinc/28/70/39/627287039.db2.gz MLZWRABNWLZOOL-LBPRGKRZSA-N 1 0 313.829 3.458 20 5 DGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000813630783 627504428 /nfs/dbraw/zinc/50/44/28/627504428.db2.gz QZAFEHCHDFEFTL-GFCCVEGCSA-N 1 0 307.369 3.045 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000814852657 627598340 /nfs/dbraw/zinc/59/83/40/627598340.db2.gz JPAJZQYMNGYLQY-CYBMUJFWSA-N 1 0 323.824 3.479 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000814909236 627606389 /nfs/dbraw/zinc/60/63/89/627606389.db2.gz IYVFZFOVPRRIGP-INIZCTEOSA-N 1 0 323.824 3.479 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)COc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815570407 627685367 /nfs/dbraw/zinc/68/53/67/627685367.db2.gz BKSSLOBDYWJWAZ-QWHCGFSZSA-N 1 0 315.373 3.295 20 5 DGBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1(C)C ZINC000815585738 627688449 /nfs/dbraw/zinc/68/84/49/627688449.db2.gz QSLDIZOASUWRFE-JMPLFQLZSA-N 1 0 307.394 3.031 20 5 DGBDRO COc1ccc(C)cc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815590128 627688514 /nfs/dbraw/zinc/68/85/14/627688514.db2.gz MVRXFXBMMSUUHB-GFCCVEGCSA-N 1 0 315.373 3.345 20 5 DGBDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815617321 627690910 /nfs/dbraw/zinc/69/09/10/627690910.db2.gz KUOPBDYNCJZSCV-JECHBYEQSA-N 1 0 319.405 3.033 20 5 DGBDRO Cc1nc2c(o1)CCC[C@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000924956886 627697314 /nfs/dbraw/zinc/69/73/14/627697314.db2.gz ZHZDRVPMTHPDQY-CQSZACIVSA-N 1 0 301.346 3.101 20 5 DGBDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000926303575 627876749 /nfs/dbraw/zinc/87/67/49/627876749.db2.gz NAEUHSSLYSEDSS-MWODSPESSA-N 1 0 318.295 3.127 20 5 DGBDRO C[C@@H]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000817864740 627951885 /nfs/dbraw/zinc/95/18/85/627951885.db2.gz CXMYINUPASWIQU-NQBHXWOUSA-N 1 0 311.813 3.053 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C=C[C@H]3C[C@@H]1CO3)CCC2 ZINC000926937146 627984926 /nfs/dbraw/zinc/98/49/26/627984926.db2.gz UDXZVXROXGSGKB-JSSFPYSZSA-N 1 0 314.385 3.153 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926946416 627987149 /nfs/dbraw/zinc/98/71/49/627987149.db2.gz UKYXNBLDAUBVCY-PTOFAABTSA-N 1 0 320.286 3.453 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927013082 627997530 /nfs/dbraw/zinc/99/75/30/627997530.db2.gz WDYIYOJPNLKWOM-JSGCOSHPSA-N 1 0 319.405 3.319 20 5 DGBDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000927017900 627998827 /nfs/dbraw/zinc/99/88/27/627998827.db2.gz NBZYSTVYCKZTIE-TZMCWYRMSA-N 1 0 310.394 3.195 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000927057505 628004221 /nfs/dbraw/zinc/00/42/21/628004221.db2.gz KOQLNRUZNXGTHP-QCEMKRCNSA-N 1 0 320.389 3.318 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927119019 628020099 /nfs/dbraw/zinc/02/00/99/628020099.db2.gz IPUIZTDRUGXHBX-AHIWAGSCSA-N 1 0 317.389 3.092 20 5 DGBDRO Cc1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000818978418 628071757 /nfs/dbraw/zinc/07/17/57/628071757.db2.gz JTTKSDDHBYKRSW-SFHVURJKSA-N 1 0 314.385 3.077 20 5 DGBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000819075996 628087728 /nfs/dbraw/zinc/08/77/28/628087728.db2.gz RZUFHJWGTFLVFD-GFCCVEGCSA-N 1 0 307.394 3.195 20 5 DGBDRO CCS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819133788 628098012 /nfs/dbraw/zinc/09/80/12/628098012.db2.gz RJBBVUQHYHHOHM-BMFZPTHFSA-N 1 0 324.446 3.282 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000819234042 628117472 /nfs/dbraw/zinc/11/74/72/628117472.db2.gz VNFVKOIKYJVRJS-LSDHHAIUSA-N 1 0 318.398 3.357 20 5 DGBDRO Cc1c(C[N@@H+](C)C[C@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000823590394 628577490 /nfs/dbraw/zinc/57/74/90/628577490.db2.gz COAHNWUEJVHMGS-SFHVURJKSA-N 1 0 314.385 3.243 20 5 DGBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+](C2CC2)C1 ZINC000824446484 628661156 /nfs/dbraw/zinc/66/11/56/628661156.db2.gz XTBBXXIOYNQUOY-LBPRGKRZSA-N 1 0 323.824 3.164 20 5 DGBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000824596655 628675280 /nfs/dbraw/zinc/67/52/80/628675280.db2.gz JULGFDAMQKMUGA-YGRLFVJLSA-N 1 0 300.786 3.399 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000824716701 628686893 /nfs/dbraw/zinc/68/68/93/628686893.db2.gz XVMGKJYVUYVNQU-NUEKZKHPSA-N 1 0 324.808 3.374 20 5 DGBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC000825040372 628719421 /nfs/dbraw/zinc/71/94/21/628719421.db2.gz IZHTVLUQGSRQCD-LBPRGKRZSA-N 1 0 314.813 3.477 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825332457 628751058 /nfs/dbraw/zinc/75/10/58/628751058.db2.gz XPQSENAGOPMDPX-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO CCC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000829571874 629170154 /nfs/dbraw/zinc/17/01/54/629170154.db2.gz AEAWRSDMSUAWFA-CQSZACIVSA-N 1 0 319.405 3.106 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000830530728 629281283 /nfs/dbraw/zinc/28/12/83/629281283.db2.gz BPIDIGUOAYPHPZ-INIZCTEOSA-N 1 0 322.380 3.177 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000830988282 629327172 /nfs/dbraw/zinc/32/71/72/629327172.db2.gz JNBNGWALXYASIY-DLBZAZTESA-N 1 0 304.390 3.283 20 5 DGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832566093 629497337 /nfs/dbraw/zinc/49/73/37/629497337.db2.gz ZJFNFNWPLKNWSV-LLVKDONJSA-N 1 0 323.368 3.325 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H](C)C1 ZINC000832692705 629504774 /nfs/dbraw/zinc/50/47/74/629504774.db2.gz XUVYRFZRURJQSE-OEUWWYETSA-N 1 0 306.406 3.433 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC(C3CCCCC3)C2)c1 ZINC000834377307 629701349 /nfs/dbraw/zinc/70/13/49/629701349.db2.gz CUIYUYFVAULTQS-KRWDZBQOSA-N 1 0 304.390 3.140 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000837501806 630267546 /nfs/dbraw/zinc/26/75/46/630267546.db2.gz WVMKRFPTLGBOMQ-CYBMUJFWSA-N 1 0 324.352 3.154 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNc2[nH+]ccn2C2CC2)c1 ZINC000840887880 630373084 /nfs/dbraw/zinc/37/30/84/630373084.db2.gz ZAXWCDXHHWHLCH-UHFFFAOYSA-N 1 0 324.287 3.340 20 5 DGBDRO CCc1cc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000841762266 630463230 /nfs/dbraw/zinc/46/32/30/630463230.db2.gz IPDREWLDTIWBPM-QGZVFWFLSA-N 1 0 314.389 3.438 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H](C(C)C)[C@H](C)[NH3+])n1 ZINC000841826689 630469389 /nfs/dbraw/zinc/46/93/89/630469389.db2.gz HIIGIGZMGDOHGI-GXFFZTMASA-N 1 0 304.350 3.040 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842755363 630571722 /nfs/dbraw/zinc/57/17/22/630571722.db2.gz XWLSUGRNNDHSPD-JQWIXIFHSA-N 1 0 300.786 3.135 20 5 DGBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842757631 630572525 /nfs/dbraw/zinc/57/25/25/630572525.db2.gz YHCDIEZFWBHWEL-ZWNOBZJWSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1cc(C(=O)OC[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000842834071 630582150 /nfs/dbraw/zinc/58/21/50/630582150.db2.gz QJHCQXNMPRQLAF-CQSZACIVSA-N 1 0 320.389 3.180 20 5 DGBDRO C[NH2+][C@H](CC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218652 630634570 /nfs/dbraw/zinc/63/45/70/630634570.db2.gz AHVUXMMRJDOVGW-MRVPVSSYSA-N 1 0 310.379 3.403 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ccc(OCC[NH3+])cc1 ZINC000843365981 630650111 /nfs/dbraw/zinc/65/01/11/630650111.db2.gz RHROOZHYVTWVED-ZDUSSCGKSA-N 1 0 315.373 3.414 20 5 DGBDRO CCCC[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843426520 630657156 /nfs/dbraw/zinc/65/71/56/630657156.db2.gz YHNTWGFAOFWCAG-AWEZNQCLSA-N 1 0 300.786 3.279 20 5 DGBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844374130 630722308 /nfs/dbraw/zinc/72/23/08/630722308.db2.gz CWRGABKTYVAPBR-ZWNOBZJWSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846185935 631214130 /nfs/dbraw/zinc/21/41/30/631214130.db2.gz BLSKUSCBRKECQX-APPDUMDISA-N 1 0 319.405 3.033 20 5 DGBDRO CCOC(C[N@H+](CC)Cc1cccc([N+](=O)[O-])c1C)OCC ZINC000846970946 631369655 /nfs/dbraw/zinc/36/96/55/631369655.db2.gz NTWRBOIAEHKJFE-UHFFFAOYSA-N 1 0 310.394 3.124 20 5 DGBDRO CCC[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000848478570 631667265 /nfs/dbraw/zinc/66/72/65/631667265.db2.gz OTSAJHWXHKQAKX-UHFFFAOYSA-N 1 0 300.362 3.290 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCCC1 ZINC000848521415 631675569 /nfs/dbraw/zinc/67/55/69/631675569.db2.gz OFFHVHVBUWJHFE-BBRMVZONSA-N 1 0 303.406 3.046 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCCC1 ZINC000848521417 631675678 /nfs/dbraw/zinc/67/56/78/631675678.db2.gz OFFHVHVBUWJHFE-CZUORRHYSA-N 1 0 303.406 3.046 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000848536976 631683078 /nfs/dbraw/zinc/68/30/78/631683078.db2.gz YTDSMPKAWNUSSE-PKOBYXMFSA-N 1 0 324.380 3.006 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848575491 631701843 /nfs/dbraw/zinc/70/18/43/631701843.db2.gz RILYNIAUIDYFJR-HOTGVXAUSA-N 1 0 323.824 3.355 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848783985 631748347 /nfs/dbraw/zinc/74/83/47/631748347.db2.gz JLZRCSQCKDFWDP-UKRRQHHQSA-N 1 0 323.368 3.171 20 5 DGBDRO Cc1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000849329121 631893518 /nfs/dbraw/zinc/89/35/18/631893518.db2.gz MOAPELIIEFYKFK-GOSISDBHSA-N 1 0 314.385 3.077 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850371094 632129395 /nfs/dbraw/zinc/12/93/95/632129395.db2.gz YKWUYTKQASCQDZ-JEMSNHSXSA-N 1 0 302.374 3.299 20 5 DGBDRO O=C1CC[C@@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)N1 ZINC000850388554 632136862 /nfs/dbraw/zinc/13/68/62/632136862.db2.gz FMZFSDUJSQATCK-INIZCTEOSA-N 1 0 304.393 3.361 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850527963 632181377 /nfs/dbraw/zinc/18/13/77/632181377.db2.gz ZSVDHWCSGXDXRK-XYJFISCASA-N 1 0 310.353 3.350 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850542288 632186908 /nfs/dbraw/zinc/18/69/08/632186908.db2.gz LBLIWQXHBMTKHL-QLJPJBMISA-N 1 0 313.357 3.221 20 5 DGBDRO C[C@H]([NH2+]CC1(O)CCC(C)(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850550911 632190106 /nfs/dbraw/zinc/19/01/06/632190106.db2.gz DWCVWCOLKSXNJU-LBPRGKRZSA-N 1 0 321.421 3.159 20 5 DGBDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCC(C)(C)[N+](=O)[O-])cc1 ZINC000851130445 632318391 /nfs/dbraw/zinc/31/83/91/632318391.db2.gz WRMOYDKEPOXANF-UHFFFAOYSA-N 1 0 322.405 3.131 20 5 DGBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000852417156 632601348 /nfs/dbraw/zinc/60/13/48/632601348.db2.gz JHYAQONWKDVMPJ-LLVKDONJSA-N 1 0 307.375 3.171 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1CCO ZINC000852457412 632605898 /nfs/dbraw/zinc/60/58/98/632605898.db2.gz RJUZQQXKRSYDAM-NHYWBVRUSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](C2CC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000792866514 660989637 /nfs/dbraw/zinc/98/96/37/660989637.db2.gz IFPVSFOKGYUEOG-UHFFFAOYSA-N 1 0 305.334 3.410 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccnc1F)C1CC1 ZINC000794832947 661108338 /nfs/dbraw/zinc/10/83/38/661108338.db2.gz FEEBFDYZLPFUOQ-HNNXBMFYSA-N 1 0 315.348 3.240 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444028 655658953 /nfs/dbraw/zinc/65/89/53/655658953.db2.gz SNMLGVMFVSKPLZ-LBPRGKRZSA-N 1 0 311.813 3.068 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933371784 655708423 /nfs/dbraw/zinc/70/84/23/655708423.db2.gz VRZIQHOUFAKUDL-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000235367672 655886282 /nfs/dbraw/zinc/88/62/82/655886282.db2.gz VEZMHMSCAZAGGF-HQJQHLMTSA-N 1 0 304.177 3.075 20 5 DGBDRO C[C@@H]1C[C@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000235390938 655888787 /nfs/dbraw/zinc/88/87/87/655888787.db2.gz NXWHICIKQCDUNF-RKDXNWHRSA-N 1 0 301.749 3.282 20 5 DGBDRO CCOCC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000313517774 656288486 /nfs/dbraw/zinc/28/84/86/656288486.db2.gz NNIMNKNTDHACMQ-UHFFFAOYSA-N 1 0 300.786 3.401 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000062979805 656435253 /nfs/dbraw/zinc/43/52/53/656435253.db2.gz PMTHAXWHEAZFFR-ZDUSSCGKSA-N 1 0 311.813 3.164 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000415135458 657619559 /nfs/dbraw/zinc/61/95/59/657619559.db2.gz JXBPSLZKGDUPGP-KRWDZBQOSA-N 1 0 303.406 3.046 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173307804 659379338 /nfs/dbraw/zinc/37/93/38/659379338.db2.gz UTRNGLHQLFZGGL-QLJPJBMISA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173307757 659379828 /nfs/dbraw/zinc/37/98/28/659379828.db2.gz UTRNGLHQLFZGGL-QFYYESIMSA-N 1 0 322.311 3.257 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000173443218 659386849 /nfs/dbraw/zinc/38/68/49/659386849.db2.gz KSEKNOKZZXCLGM-UHFFFAOYSA-N 1 0 300.362 3.168 20 5 DGBDRO CC(C)C[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000035368232 659711253 /nfs/dbraw/zinc/71/12/53/659711253.db2.gz KTYDRHXLNRLVOM-CQSZACIVSA-N 1 0 313.829 3.314 20 5 DGBDRO CCC[C@@H]([NH2+]CCC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000183896488 660146165 /nfs/dbraw/zinc/14/61/65/660146165.db2.gz FDGRHSKOSLOFEP-OAHLLOKOSA-N 1 0 308.378 3.179 20 5 DGBDRO Cc1ccc(C[NH+]2CCC(c3ncco3)CC2)cc1[N+](=O)[O-] ZINC000931443006 661476746 /nfs/dbraw/zinc/47/67/46/661476746.db2.gz KIVQLPBQRDJGBI-UHFFFAOYSA-N 1 0 301.346 3.271 20 5 DGBDRO Cc1c(C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)cccc1[N+](=O)[O-] ZINC000932140206 661541452 /nfs/dbraw/zinc/54/14/52/661541452.db2.gz YKDGLHMJMZJINF-HNNXBMFYSA-N 1 0 314.389 3.016 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932140072 661541631 /nfs/dbraw/zinc/54/16/31/661541631.db2.gz VABMSCUUHFIUEI-DZGCQCFKSA-N 1 0 314.389 3.269 20 5 DGBDRO C[C@@H]([NH2+]CCCCC1(C)OCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932177787 661544906 /nfs/dbraw/zinc/54/49/06/661544906.db2.gz RVKHZUJGPBYCLX-CYBMUJFWSA-N 1 0 308.378 3.179 20 5 DGBDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932277523 661555920 /nfs/dbraw/zinc/55/59/20/661555920.db2.gz VODDGSRULFSVRH-PBHICJAKSA-N 1 0 314.389 3.059 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932381469 661564250 /nfs/dbraw/zinc/56/42/50/661564250.db2.gz YJIBFCTUXCRYEP-QGZVFWFLSA-N 1 0 313.357 3.110 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000933081457 661616645 /nfs/dbraw/zinc/61/66/45/661616645.db2.gz IQATXYFYRKTDPO-INIZCTEOSA-N 1 0 304.390 3.233 20 5 DGBDRO CCCCC1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000934208868 661688293 /nfs/dbraw/zinc/68/82/93/661688293.db2.gz PNXWOGRZPDBGOE-UHFFFAOYSA-N 1 0 316.361 3.457 20 5 DGBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000934232139 661690250 /nfs/dbraw/zinc/69/02/50/661690250.db2.gz CEPDHAWYUDCTPM-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934236121 661690525 /nfs/dbraw/zinc/69/05/25/661690525.db2.gz LFVOIHWCECNCKD-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO Cc1c(C[N@@H+]2CC[C@H](Cc3nccs3)C2)cccc1[N+](=O)[O-] ZINC000934336356 661698664 /nfs/dbraw/zinc/69/86/64/661698664.db2.gz ZVFQLMYRSHFXFU-CYBMUJFWSA-N 1 0 317.414 3.424 20 5 DGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000934623979 661719374 /nfs/dbraw/zinc/71/93/74/661719374.db2.gz IRZJQKLPXHPLTD-BXUZGUMPSA-N 1 0 314.345 3.089 20 5 DGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000934629555 661720072 /nfs/dbraw/zinc/72/00/72/661720072.db2.gz TXIWNLXARRZWEY-BXUZGUMPSA-N 1 0 314.345 3.089 20 5 DGBDRO COc1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000934686112 661725756 /nfs/dbraw/zinc/72/57/56/661725756.db2.gz IWLFSTXYASXQTO-KRWDZBQOSA-N 1 0 313.357 3.239 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934700513 661727418 /nfs/dbraw/zinc/72/74/18/661727418.db2.gz SBUGSUSXUWUBMD-QGZVFWFLSA-N 1 0 313.357 3.239 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cs1 ZINC000934838012 661739636 /nfs/dbraw/zinc/73/96/36/661739636.db2.gz YDZLGQXJPIKKSL-UONOGXRCSA-N 1 0 310.419 3.295 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC000194416138 662165164 /nfs/dbraw/zinc/16/51/64/662165164.db2.gz GOFQQMQOAIDPTJ-ZDUSSCGKSA-N 1 0 312.369 3.423 20 5 DGBDRO C[NH+](C)CCSCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159470472 685098830 /nfs/dbraw/zinc/09/88/30/685098830.db2.gz XPUICSCPZYHRJU-UHFFFAOYSA-N 1 0 319.224 3.152 20 5 DGBDRO CC1(C)C[NH2+]CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC001576481127 1191827377 /nfs/dbraw/zinc/82/73/77/1191827377.db2.gz SHQZDUOWOOKVNZ-LBPRGKRZSA-N 1 0 314.389 3.333 20 5 DGBDRO C[NH2+]Cc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC001578738476 1191953975 /nfs/dbraw/zinc/95/39/75/1191953975.db2.gz MQLUKFBSHJBCMA-UHFFFAOYSA-N 1 0 324.340 3.048 20 5 DGBDRO C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001579481083 1191977243 /nfs/dbraw/zinc/97/72/43/1191977243.db2.gz PLLQFKVOZCFBTB-ZDUSSCGKSA-N 1 0 319.405 3.071 20 5 DGBDRO Cc1ccc(CN2CCCc3cccc(C[NH3+])c32)cc1[N+](=O)[O-] ZINC001579691638 1191987127 /nfs/dbraw/zinc/98/71/27/1191987127.db2.gz CKLLTTLLQNAJAC-UHFFFAOYSA-N 1 0 311.385 3.315 20 5 DGBDRO [NH3+]C1(CC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)CCC1 ZINC001580140189 1192009469 /nfs/dbraw/zinc/00/94/69/1192009469.db2.gz SQAFLEPLMWNXKP-UHFFFAOYSA-N 1 0 317.389 3.142 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001580177382 1192012396 /nfs/dbraw/zinc/01/23/96/1192012396.db2.gz WHNHKZXMNGJQQZ-BDAKNGLRSA-N 1 0 303.284 3.295 20 5 DGBDRO CC(C)(C(=O)Nc1ccc2c[nH+]cn2c1)c1ccccc1[N+](=O)[O-] ZINC001598081545 1192761707 /nfs/dbraw/zinc/76/17/07/1192761707.db2.gz RLEPUQGEKUTDAQ-UHFFFAOYSA-N 1 0 324.340 3.159 20 5 DGBDRO Cc1cc(NCCCCc2cc[nH+]c(N)c2)c([N+](=O)[O-])s1 ZINC001640465093 1194814616 /nfs/dbraw/zinc/81/46/16/1194814616.db2.gz OXGWVJFIDXFFIV-UHFFFAOYSA-N 1 0 306.391 3.377 20 5 DGBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)nn1 ZINC001332712399 1178480674 /nfs/dbraw/zinc/48/06/74/1178480674.db2.gz RIPDZRGFSYMADA-GFCCVEGCSA-N 1 0 300.362 3.161 20 5 DGBDRO C[C@@H](O)CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001333588263 1178632588 /nfs/dbraw/zinc/63/25/88/1178632588.db2.gz PTFGXNLNBWJWQQ-SNVBAGLBSA-N 1 0 324.764 3.369 20 5 DGBDRO CC(C)c1noc(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001333711175 1178658756 /nfs/dbraw/zinc/65/87/56/1178658756.db2.gz OLSVJWCJSVVZCD-UHFFFAOYSA-N 1 0 324.768 3.087 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cnc(N(C)C)s1)c1ccccc1[N+](=O)[O-] ZINC001335118970 1178855515 /nfs/dbraw/zinc/85/55/15/1178855515.db2.gz VSBLPKSVTJUBDF-NSHDSACASA-N 1 0 320.418 3.011 20 5 DGBDRO Cc1ccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001336049843 1178986216 /nfs/dbraw/zinc/98/62/16/1178986216.db2.gz WVNYWAHHBHBCGL-KSZLIROESA-N 1 0 312.369 3.082 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC001342323272 1179130022 /nfs/dbraw/zinc/13/00/22/1179130022.db2.gz APDDTMLFMLNHBN-HUUCEWRRSA-N 1 0 311.813 3.211 20 5 DGBDRO CC1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(C)C ZINC001342337518 1179131609 /nfs/dbraw/zinc/13/16/09/1179131609.db2.gz IKRJLBUZRWKWRR-UHFFFAOYSA-N 1 0 323.368 3.183 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001343321676 1179255448 /nfs/dbraw/zinc/25/54/48/1179255448.db2.gz XWTMZVBDDDQQNJ-KKUMJFAQSA-N 1 0 303.406 3.070 20 5 DGBDRO CCN1CC[C@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001621045157 1192955831 /nfs/dbraw/zinc/95/58/31/1192955831.db2.gz LAGBWECMFNRLLU-HNNXBMFYSA-N 1 0 315.373 3.039 20 5 DGBDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001621045158 1192956045 /nfs/dbraw/zinc/95/60/45/1192956045.db2.gz LAGBWECMFNRLLU-OAHLLOKOSA-N 1 0 315.373 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)CC2 ZINC001351144791 1180179842 /nfs/dbraw/zinc/17/98/42/1180179842.db2.gz UAYVCUXEUZFMRK-UVGIYENGSA-N 1 0 308.328 3.244 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C(C)(C)c2cccs2)c1[N+](=O)[O-] ZINC001351997214 1180277028 /nfs/dbraw/zinc/27/70/28/1180277028.db2.gz IHICYBVXRZDSGM-UHFFFAOYSA-N 1 0 322.386 3.395 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2C[C@@]2(C)Br)cccc1[N+](=O)[O-] ZINC001352021276 1180281486 /nfs/dbraw/zinc/28/14/86/1180281486.db2.gz BGQDKUVGRUMDPF-WCQYABFASA-N 1 0 313.195 3.166 20 5 DGBDRO C[C@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001354158512 1180733509 /nfs/dbraw/zinc/73/35/09/1180733509.db2.gz ZKROEULNMZKWEB-RYUDHWBXSA-N 1 0 322.384 3.194 20 5 DGBDRO C[C@@H]1[C@@H](CO)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001473430204 1181524405 /nfs/dbraw/zinc/52/44/05/1181524405.db2.gz XBEBNYOLHUQQJA-RKDXNWHRSA-N 1 0 319.188 3.104 20 5 DGBDRO C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001458604144 1182543623 /nfs/dbraw/zinc/54/36/23/1182543623.db2.gz PEXBUYKGDLWQIW-LBPRGKRZSA-N 1 0 307.369 3.187 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001460125026 1182654600 /nfs/dbraw/zinc/65/46/00/1182654600.db2.gz MFWZEEOUQAILFE-OWYVNGRQSA-N 1 0 312.797 3.397 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001460957403 1182746018 /nfs/dbraw/zinc/74/60/18/1182746018.db2.gz ZQEHLDGJGZMQEN-IRXDYDNUSA-N 1 0 320.389 3.007 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCOCC23CCCC3)cc1 ZINC001460963396 1182747614 /nfs/dbraw/zinc/74/76/14/1182747614.db2.gz GPLYFMLTYDAQQO-MRXNPFEDSA-N 1 0 304.390 3.076 20 5 DGBDRO COc1ccc(C[NH2+]Cc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC001461176252 1182777992 /nfs/dbraw/zinc/77/79/92/1182777992.db2.gz ZNVCJRITFGPVHM-UHFFFAOYSA-N 1 0 311.341 3.375 20 5 DGBDRO CC1(C)C[C@H]1C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001461186377 1182779871 /nfs/dbraw/zinc/77/98/71/1182779871.db2.gz OSDRDBRLGQGMGW-VIFPVBQESA-N 1 0 313.195 3.493 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC001461591638 1182832594 /nfs/dbraw/zinc/83/25/94/1182832594.db2.gz DAZUVTYVRIGMFW-OTVXOJSOSA-N 1 0 322.405 3.429 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)C2CCC(C)CC2)c1[N+](=O)[O-] ZINC001461931193 1182879946 /nfs/dbraw/zinc/87/99/46/1182879946.db2.gz DHONNRRVIAXTFM-UHFFFAOYSA-N 1 0 308.378 3.320 20 5 DGBDRO Cc1cc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc([N+](=O)[O-])c1 ZINC001472374406 1183639846 /nfs/dbraw/zinc/63/98/46/1183639846.db2.gz JEGSMRPUYBPULE-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001472684331 1183666057 /nfs/dbraw/zinc/66/60/57/1183666057.db2.gz JLRSEUUKUIMLCE-JTQLQIEISA-N 1 0 317.311 3.144 20 5 DGBDRO C[NH+](C)CCN(Cc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC001472722682 1183672469 /nfs/dbraw/zinc/67/24/69/1183672469.db2.gz CPPDNBHEKBDSOB-UHFFFAOYSA-N 1 0 317.364 3.302 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001473365343 1183748689 /nfs/dbraw/zinc/74/86/89/1183748689.db2.gz NDXVIMZBEAXSKC-CHWSQXEVSA-N 1 0 319.405 3.290 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC001473472162 1183760875 /nfs/dbraw/zinc/76/08/75/1183760875.db2.gz MLJTXOAJUGUFNL-UONOGXRCSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC001473784713 1183801518 /nfs/dbraw/zinc/80/15/18/1183801518.db2.gz SCEMJLPOAGZMIT-CHWSQXEVSA-N 1 0 313.357 3.273 20 5 DGBDRO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001473799541 1183804598 /nfs/dbraw/zinc/80/45/98/1183804598.db2.gz DPJXGSFKWKSDSG-SFHVURJKSA-N 1 0 314.385 3.377 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@]12CCC[C@H]1OCC2 ZINC001473896560 1183822678 /nfs/dbraw/zinc/82/26/78/1183822678.db2.gz DSPQPJCUDNCDSH-HZPDHXFCSA-N 1 0 308.353 3.125 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCSCC(C)C ZINC001474101401 1183867481 /nfs/dbraw/zinc/86/74/81/1183867481.db2.gz WDEYZBAIGSXMKE-UHFFFAOYSA-N 1 0 312.435 3.472 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccnc(F)c1 ZINC001474225888 1183885568 /nfs/dbraw/zinc/88/55/68/1183885568.db2.gz ZYKBTAZWVLQCGJ-GHXNOFRVSA-N 1 0 301.321 3.322 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001474282331 1183895145 /nfs/dbraw/zinc/89/51/45/1183895145.db2.gz AFSUHZPYUOMLCU-HNNXBMFYSA-N 1 0 304.390 3.485 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC001474401060 1183915515 /nfs/dbraw/zinc/91/55/15/1183915515.db2.gz DJFZKGJMHRPEEF-DGCLKSJQSA-N 1 0 308.378 3.320 20 5 DGBDRO CCc1cccc(F)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001474499278 1183932084 /nfs/dbraw/zinc/93/20/84/1183932084.db2.gz PLCFUFPXXIJLMC-UHFFFAOYSA-N 1 0 317.364 3.262 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001520250633 1186927609 /nfs/dbraw/zinc/92/76/09/1186927609.db2.gz LXGIJUCYPJHJFH-ZDUSSCGKSA-N 1 0 322.409 3.145 20 5 DGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C1CCCC1 ZINC001612913448 1193464219 /nfs/dbraw/zinc/46/42/19/1193464219.db2.gz VQEUTBUOSNXHLF-LBPRGKRZSA-N 1 0 307.369 3.187 20 5 DGBDRO CCOC(=O)[C@@H]1C[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001615272552 1193519342 /nfs/dbraw/zinc/51/93/42/1193519342.db2.gz PELFUXQLTDEVEM-GOEBONIOSA-N 1 0 320.389 3.004 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001617207030 1193562175 /nfs/dbraw/zinc/56/21/75/1193562175.db2.gz MXBMNSDKEMLVNM-JSGCOSHPSA-N 1 0 308.378 3.151 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC001617361913 1193567140 /nfs/dbraw/zinc/56/71/40/1193567140.db2.gz ZSHHURIJYBIUGW-LALPHHSUSA-N 1 0 320.389 3.296 20 5 DGBDRO CN(CC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC001559296844 1189194464 /nfs/dbraw/zinc/19/44/64/1189194464.db2.gz IERUHTGEAHLGGW-UHFFFAOYSA-N 1 0 316.405 3.167 20 5 DGBDRO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC001559768530 1189240805 /nfs/dbraw/zinc/24/08/05/1189240805.db2.gz GTRQVJDYFXDQEU-JHJVBQTASA-N 1 0 305.378 3.042 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC001560011683 1189268854 /nfs/dbraw/zinc/26/88/54/1189268854.db2.gz NHLKNTCQINIFFP-OAHLLOKOSA-N 1 0 304.390 3.486 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001560223600 1189293507 /nfs/dbraw/zinc/29/35/07/1189293507.db2.gz CCMAEOXQGFYMQJ-WBVHZDCISA-N 1 0 304.390 3.437 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2([C@H]3CCCO3)CCC2)c1 ZINC001560227658 1189294785 /nfs/dbraw/zinc/29/47/85/1189294785.db2.gz SXFASWZXCWKASK-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](C)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001560265849 1189302898 /nfs/dbraw/zinc/30/28/98/1189302898.db2.gz HGLDHIOUURDTNX-ZIAGYGMSSA-N 1 0 305.422 3.113 20 5 DGBDRO Cc1ccc(F)cc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001560313928 1189310355 /nfs/dbraw/zinc/31/03/55/1189310355.db2.gz BMWMAPSXLLZLFL-UHFFFAOYSA-N 1 0 304.321 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC001560314025 1189310485 /nfs/dbraw/zinc/31/04/85/1189310485.db2.gz HKKIKEHGDNUEIE-UHFFFAOYSA-N 1 0 308.284 3.042 20 5 DGBDRO O=[N+]([O-])c1cccc(CNC[C@@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001560562535 1189339930 /nfs/dbraw/zinc/33/99/30/1189339930.db2.gz ZRDIQPZTVYNBLA-SFHVURJKSA-N 1 0 317.433 3.482 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC001560590372 1189344709 /nfs/dbraw/zinc/34/47/09/1189344709.db2.gz UAWMATZQOROWDL-KNPMLCFXSA-N 1 0 304.390 3.375 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001561054834 1189428055 /nfs/dbraw/zinc/42/80/55/1189428055.db2.gz OEDKCUFDBQUMFE-GFCCVEGCSA-N 1 0 313.829 3.458 20 5 DGBDRO CC(C)C[C@](C)(C[NH3+])C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001575531203 1191489836 /nfs/dbraw/zinc/48/98/36/1191489836.db2.gz PULFSDSNKBOPTK-CQSZACIVSA-N 1 0 313.785 3.198 20 5 DGBDRO Cc1ccc(CN2CC[N@@H+](C)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC001618029114 1193722285 /nfs/dbraw/zinc/72/22/85/1193722285.db2.gz YTGJZMOFZLXMHM-UHFFFAOYSA-N 1 0 317.433 3.354 20 5 DGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC001618654404 1193745967 /nfs/dbraw/zinc/74/59/67/1193745967.db2.gz UORUHSBQYIQQDS-CABCVRRESA-N 1 0 319.405 3.338 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001621233149 1193819641 /nfs/dbraw/zinc/81/96/41/1193819641.db2.gz HCZUNPKYBGYSCY-LLVKDONJSA-N 1 0 308.378 3.177 20 5 DGBDRO CCC[N@H+](CC)CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001639561650 1194771785 /nfs/dbraw/zinc/77/17/85/1194771785.db2.gz GYPTUCYDSORARB-UHFFFAOYSA-N 1 0 315.801 3.401 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001640164869 1194799704 /nfs/dbraw/zinc/79/97/04/1194799704.db2.gz CZXULVQCDKLGRT-CYBMUJFWSA-N 1 0 324.812 3.462 20 5 DGBDRO CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C ZINC001642792006 1194939769 /nfs/dbraw/zinc/93/97/69/1194939769.db2.gz WMDALIXOWSNLCJ-VXGBXAGGSA-N 1 0 316.361 3.265 20 5 DGBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](C)C1 ZINC001642938077 1194955902 /nfs/dbraw/zinc/95/59/02/1194955902.db2.gz JQMXIGPSKMEOAF-GJZGRUSLSA-N 1 0 322.405 3.111 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)C2(C)CC2)cccc1[N+](=O)[O-] ZINC001648526395 1195306694 /nfs/dbraw/zinc/30/66/94/1195306694.db2.gz VENBBANLGNQWCK-VXGBXAGGSA-N 1 0 305.378 3.008 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cccc([N+](=O)[O-])c1 ZINC001648591965 1195311120 /nfs/dbraw/zinc/31/11/20/1195311120.db2.gz SZOIVJKDTHMNBK-MSOLQXFVSA-N 1 0 317.433 3.290 20 5 DGBDRO Cc1ncsc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001650858358 1195389566 /nfs/dbraw/zinc/38/95/66/1195389566.db2.gz IQYJCGDGHXKBCE-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO C[N@H+](CCc1cccc(Nc2cccnc2[N+](=O)[O-])c1)C1CC1 ZINC001650921579 1195395053 /nfs/dbraw/zinc/39/50/53/1195395053.db2.gz MQGFSAJPYCKLFM-UHFFFAOYSA-N 1 0 312.373 3.370 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2CCN2C2CCCCC2)cccc1[N+](=O)[O-] ZINC001651335988 1195445620 /nfs/dbraw/zinc/44/56/20/1195445620.db2.gz WRVSLELJMPXVFO-KRWDZBQOSA-N 1 0 317.433 3.400 20 5 DGBDRO CC(C)[N@H+](C)CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001651362849 1195450353 /nfs/dbraw/zinc/45/03/53/1195450353.db2.gz PMXCVIDQHZLYOR-UHFFFAOYSA-N 1 0 306.410 3.011 20 5 DGBDRO CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001651419515 1195458450 /nfs/dbraw/zinc/45/84/50/1195458450.db2.gz UDRCUPFPOCWCNQ-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001651475585 1195467887 /nfs/dbraw/zinc/46/78/87/1195467887.db2.gz PBUFVMAHOKFORN-GFCCVEGCSA-N 1 0 306.410 3.011 20 5 DGBDRO CCC(=O)c1ccc(NC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001651490882 1195470894 /nfs/dbraw/zinc/47/08/94/1195470894.db2.gz VPRKZUKAWHRWRW-ZDUSSCGKSA-N 1 0 305.378 3.084 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccccc1[N+](=O)[O-] ZINC001651510516 1195472447 /nfs/dbraw/zinc/47/24/47/1195472447.db2.gz GVPPUBUFENTJAM-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO C[C@H](O)C(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001651644430 1195489614 /nfs/dbraw/zinc/48/96/14/1195489614.db2.gz WIMJTYPHJGJHRZ-LBPRGKRZSA-N 1 0 318.373 3.351 20 5 DGBDRO CCOc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001651642250 1195489974 /nfs/dbraw/zinc/48/99/74/1195489974.db2.gz PKDBMCHSSVVQNV-UHFFFAOYSA-N 1 0 300.358 3.326 20 5 DGBDRO C[NH+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001651918949 1195523659 /nfs/dbraw/zinc/52/36/59/1195523659.db2.gz XMYVARRBWAZDIV-UHFFFAOYSA-N 1 0 314.389 3.409 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC001652067073 1195543384 /nfs/dbraw/zinc/54/33/84/1195543384.db2.gz UHNGIWSVUGNOCE-OWCLPIDISA-N 1 0 315.417 3.153 20 5 DGBDRO Cn1c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc2ccccc21 ZINC001652406836 1195593058 /nfs/dbraw/zinc/59/30/58/1195593058.db2.gz CJTFUIPJCCHSRG-UHFFFAOYSA-N 1 0 324.384 3.052 20 5 DGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001652526043 1195611416 /nfs/dbraw/zinc/61/14/16/1195611416.db2.gz FHPIEKFVJODWOV-UONOGXRCSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001652628323 1195628913 /nfs/dbraw/zinc/62/89/13/1195628913.db2.gz NAOQYVOKFGBLHY-ZIAGYGMSSA-N 1 0 304.390 3.484 20 5 DGBDRO CCC1(CC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001653562050 1195734608 /nfs/dbraw/zinc/73/46/08/1195734608.db2.gz ZLRGBJULNYCIQB-ZDUSSCGKSA-N 1 0 319.405 3.434 20 5 DGBDRO C[N@H+](CCSC(F)(F)F)CCc1ccccc1[N+](=O)[O-] ZINC001653577371 1195736364 /nfs/dbraw/zinc/73/63/64/1195736364.db2.gz AMIUQWCROVORGR-UHFFFAOYSA-N 1 0 308.325 3.322 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(C3CCC3)CC2)c1 ZINC001654174913 1195781201 /nfs/dbraw/zinc/78/12/01/1195781201.db2.gz SKYPMKFXNTVPFS-UHFFFAOYSA-N 1 0 304.390 3.486 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(CCC2)CO1 ZINC001654425362 1195802723 /nfs/dbraw/zinc/80/27/23/1195802723.db2.gz RRMBJKPCZFJIRI-INIZCTEOSA-N 1 0 318.417 3.418 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@]2(C)CCCC[C@H]2C)c1 ZINC001654665350 1195828771 /nfs/dbraw/zinc/82/87/71/1195828771.db2.gz OLTAMZYZPMCEOG-SJKOYZFVSA-N 1 0 320.389 3.440 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@]2(C)CCCC[C@@H]2C)c1 ZINC001654665349 1195828880 /nfs/dbraw/zinc/82/88/80/1195828880.db2.gz OLTAMZYZPMCEOG-SJCJKPOMSA-N 1 0 320.389 3.440 20 5 DGBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001654744596 1195835191 /nfs/dbraw/zinc/83/51/91/1195835191.db2.gz ZOFZBYYDCJKKRW-OAHLLOKOSA-N 1 0 322.405 3.253 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1(CO)CCCCCCC1 ZINC001655376418 1195909675 /nfs/dbraw/zinc/90/96/75/1195909675.db2.gz HJXAKBFNAKIQEM-UHFFFAOYSA-N 1 0 310.369 3.299 20 5 DGBDRO Cc1cc(N2CC([N@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])s1 ZINC001655467825 1195921337 /nfs/dbraw/zinc/92/13/37/1195921337.db2.gz VHUQCAIFFDEXIE-UHFFFAOYSA-N 1 0 317.414 3.285 20 5 DGBDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001655690822 1195950114 /nfs/dbraw/zinc/95/01/14/1195950114.db2.gz RDBAUGCBPSAOCT-OAHLLOKOSA-N 1 0 318.373 3.351 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001655725300 1195956720 /nfs/dbraw/zinc/95/67/20/1195956720.db2.gz UHSMEJLIWVAGLS-NVXWUHKLSA-N 1 0 306.406 3.444 20 5 DGBDRO Nc1c(Cl)cccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001656390012 1196034824 /nfs/dbraw/zinc/03/48/24/1196034824.db2.gz RWIFIYKMXNRDHJ-UHFFFAOYSA-N 1 0 305.765 3.163 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(O)CCCCCC1 ZINC001656556645 1196050053 /nfs/dbraw/zinc/05/00/53/1196050053.db2.gz WBQZDZBNYALUOY-UHFFFAOYSA-N 1 0 306.406 3.387 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC=CC23CCCCC3)cc1 ZINC001656562150 1196050767 /nfs/dbraw/zinc/05/07/67/1196050767.db2.gz KTYVIWULODNLSO-MRXNPFEDSA-N 1 0 302.374 3.203 20 5 DGBDRO COc1cccc(O[C@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001656596053 1196053434 /nfs/dbraw/zinc/05/34/34/1196053434.db2.gz UDVFAPWIDJHUKR-CYBMUJFWSA-N 1 0 316.357 3.161 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](C)N2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC001656774068 1196070579 /nfs/dbraw/zinc/07/05/79/1196070579.db2.gz IWLLLWYAGWZCOJ-ZIAGYGMSSA-N 1 0 305.422 3.256 20 5 DGBDRO C[C@H](C[NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1[N+](=O)[O-] ZINC001657052734 1196096918 /nfs/dbraw/zinc/09/69/18/1196096918.db2.gz WMPWTDFOVFALJI-GFCCVEGCSA-N 1 0 310.357 3.364 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CCOCC3)o2)cc1 ZINC001657050967 1196096922 /nfs/dbraw/zinc/09/69/22/1196096922.db2.gz UDNCBVXKBBXLQC-UHFFFAOYSA-N 1 0 316.357 3.371 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@](C)(O)CCC(C)C ZINC001657256411 1196124415 /nfs/dbraw/zinc/12/44/15/1196124415.db2.gz ORVXFUYITRDAFC-QGZVFWFLSA-N 1 0 308.422 3.488 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001657322883 1196130725 /nfs/dbraw/zinc/13/07/25/1196130725.db2.gz NRAPLZKOMZAXMQ-RHSMWYFYSA-N 1 0 322.405 3.144 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H](SC)C1 ZINC001657337266 1196132126 /nfs/dbraw/zinc/13/21/26/1196132126.db2.gz WEPXQBHMZOCLOP-OCCSQVGLSA-N 1 0 310.419 3.367 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC001657525653 1196151203 /nfs/dbraw/zinc/15/12/03/1196151203.db2.gz DDEYXRQNEIWMRD-FPMFFAJLSA-N 1 0 320.389 3.320 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CC4(CCC4)C3)C2)nc1 ZINC001657625207 1196162394 /nfs/dbraw/zinc/16/23/94/1196162394.db2.gz JBEFFEXVEAYLRF-CQSZACIVSA-N 1 0 316.405 3.056 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2COc3cccc(C)c3C2)cc1[N+](=O)[O-] ZINC001657717105 1196172096 /nfs/dbraw/zinc/17/20/96/1196172096.db2.gz IXHJEAWRZZLKCU-HNNXBMFYSA-N 1 0 312.369 3.305 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001657721785 1196172113 /nfs/dbraw/zinc/17/21/13/1196172113.db2.gz KWHBPFJSRNUFPH-DABQJJPHSA-N 1 0 308.378 3.039 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)C(C)(C)C ZINC001657740500 1196174034 /nfs/dbraw/zinc/17/40/34/1196174034.db2.gz YJEIIGRVBQTLKQ-UHFFFAOYSA-N 1 0 316.405 3.400 20 5 DGBDRO C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC001658174669 1196221634 /nfs/dbraw/zinc/22/16/34/1196221634.db2.gz USLCMPUUSZOEKN-UHFFFAOYSA-N 1 0 311.385 3.089 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001658576515 1196275593 /nfs/dbraw/zinc/27/55/93/1196275593.db2.gz ONRFAQPQAVNUNW-LAQFHYBYSA-N 1 0 319.405 3.338 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001658738383 1196294147 /nfs/dbraw/zinc/29/41/47/1196294147.db2.gz WPXHZRRLVVIXLR-KBPBESRZSA-N 1 0 306.431 3.397 20 5 DGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001658757629 1196296978 /nfs/dbraw/zinc/29/69/78/1196296978.db2.gz XKSMJOCEPDTSST-XJNFMUPTSA-N 1 0 320.433 3.445 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC001658796020 1196302222 /nfs/dbraw/zinc/30/22/22/1196302222.db2.gz XNYVYUXLQHIILP-LBPRGKRZSA-N 1 0 320.389 3.321 20 5 DGBDRO CCCn1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC001659186831 1196356414 /nfs/dbraw/zinc/35/64/14/1196356414.db2.gz GCSLIEHIWLXTMR-UHFFFAOYSA-N 1 0 316.405 3.184 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2C[NH+](CC3Cc4ccccc4C3)C2)cc1 ZINC001659410892 1196381153 /nfs/dbraw/zinc/38/11/53/1196381153.db2.gz GLJASFFIRSFRJH-UHFFFAOYSA-N 1 0 324.380 3.073 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)C1CCCC1 ZINC001660083169 1196443415 /nfs/dbraw/zinc/44/34/15/1196443415.db2.gz TYUUVLQTCPTECH-RHSMWYFYSA-N 1 0 320.433 3.447 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3nonc3c2)cc1Cl ZINC001660172532 1196454231 /nfs/dbraw/zinc/45/42/31/1196454231.db2.gz SDKMZMYFBLGJGB-UHFFFAOYSA-N 1 0 318.720 3.074 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC(C)(C)C1 ZINC001660878403 1196537950 /nfs/dbraw/zinc/53/79/50/1196537950.db2.gz SQAZYXYPEMQVHC-OAHLLOKOSA-N 1 0 319.449 3.237 20 5 DGBDRO Cc1c(C[NH2+]CCOc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC001661375457 1196599316 /nfs/dbraw/zinc/59/93/16/1196599316.db2.gz VFOHJGHBMKPQHF-UHFFFAOYSA-N 1 0 322.311 3.350 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3nccn32)cc1[N+](=O)[O-] ZINC001661594811 1196623251 /nfs/dbraw/zinc/62/32/51/1196623251.db2.gz LMPURWGHJCQEBQ-ZDUSSCGKSA-N 1 0 310.357 3.402 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC001662349816 1196711543 /nfs/dbraw/zinc/71/15/43/1196711543.db2.gz CDVHXVZPTVIHLM-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO CC1(C)CCC[C@](O)(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001665440366 1197137514 /nfs/dbraw/zinc/13/75/14/1197137514.db2.gz ZFEOEDWWPKFVBZ-GOSISDBHSA-N 1 0 320.433 3.448 20 5 DGBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NCC12CC[NH+](CC1)CC2 ZINC001169801732 1081653261 /nfs/dbraw/zinc/65/32/61/1081653261.db2.gz HRPGDXXNIGQNHS-XVNBXDOJSA-N 1 0 321.808 3.485 20 5 DGBDRO CC(C)CCCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001167222595 1081816918 /nfs/dbraw/zinc/81/69/18/1081816918.db2.gz MGEYSZBTQQXNOO-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO Cc1cc(C)c(-n2ccc3cc(C[NH3+])cnc32)c(C)c1[N+](=O)[O-] ZINC001167311438 1081942040 /nfs/dbraw/zinc/94/20/40/1081942040.db2.gz LTAVPRFGUOGWKR-UHFFFAOYSA-N 1 0 310.357 3.318 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC001170293043 1082336368 /nfs/dbraw/zinc/33/63/68/1082336368.db2.gz JKSXKAIXCXTICZ-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC001170304279 1082339625 /nfs/dbraw/zinc/33/96/25/1082339625.db2.gz AUFVQOJCYNQLLK-NSHDSACASA-N 1 0 304.346 3.226 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]C2CCSCC2)c([N+](=O)[O-])c1 ZINC001170310499 1082344166 /nfs/dbraw/zinc/34/41/66/1082344166.db2.gz XCWQUHRVUBIKHF-NSHDSACASA-N 1 0 310.419 3.020 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccncc2)c([N+](=O)[O-])c1 ZINC001170326692 1082346405 /nfs/dbraw/zinc/34/64/05/1082346405.db2.gz BPZZSKYEXAEUNG-CYBMUJFWSA-N 1 0 315.373 3.061 20 5 DGBDRO COc1ccc(C[C@H](C)[NH+]2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170328338 1082347523 /nfs/dbraw/zinc/34/75/23/1082347523.db2.gz JXVADMSFXJSHOF-NWANDNLSSA-N 1 0 304.390 3.266 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC001170351008 1082358265 /nfs/dbraw/zinc/35/82/65/1082358265.db2.gz DGDVXFYSKUVXKW-ZFWWWQNUSA-N 1 0 322.405 3.035 20 5 DGBDRO COc1ccc([N+](=O)[O-])nc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170451630 1082476701 /nfs/dbraw/zinc/47/67/01/1082476701.db2.gz VENHPWMLIXCZMZ-UHFFFAOYSA-N 1 0 322.409 3.062 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001170620671 1082935115 /nfs/dbraw/zinc/93/51/15/1082935115.db2.gz RTWKMKNJNNZLPM-VHSXEESVSA-N 1 0 303.284 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCCC[NH2+]C2)c(Cl)c1Cl ZINC001217974548 1082977433 /nfs/dbraw/zinc/97/74/33/1082977433.db2.gz OSBWDLYXMPWBBY-MRVPVSSYSA-N 1 0 305.161 3.423 20 5 DGBDRO C[C@@H](Oc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218003228 1082992900 /nfs/dbraw/zinc/99/29/00/1082992900.db2.gz PVXQFLXAQLZZMU-MRVPVSSYSA-N 1 0 302.733 3.154 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CC[NH2+]CC[C@H]1F ZINC001218021412 1083007015 /nfs/dbraw/zinc/00/70/15/1083007015.db2.gz WNVPZBHQZHTCSM-MWLCHTKSSA-N 1 0 323.151 3.371 20 5 DGBDRO [NH3+]Cc1nn(-c2cc([N+](=O)[O-])ccc2Cl)c2ccccc12 ZINC001167697811 1083107512 /nfs/dbraw/zinc/10/75/12/1083107512.db2.gz NEYAKIVXZYGCHI-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO CC(C)(C)C[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000689905935 1083452732 /nfs/dbraw/zinc/45/27/32/1083452732.db2.gz MDUFRDNENYOLRC-UHFFFAOYSA-N 1 0 300.786 3.089 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC001181672248 1083513774 /nfs/dbraw/zinc/51/37/74/1083513774.db2.gz GXSLJGROLHELCM-ZBFHGGJFSA-N 1 0 317.433 3.270 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001167751974 1083626389 /nfs/dbraw/zinc/62/63/89/1083626389.db2.gz AEMAJOOBLXSUNL-CQSZACIVSA-N 1 0 320.437 3.337 20 5 DGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC001186367872 1084635807 /nfs/dbraw/zinc/63/58/07/1084635807.db2.gz KMNAHHNIMUNDAC-CYBMUJFWSA-N 1 0 313.348 3.405 20 5 DGBDRO C[N@@H+]1C[C@@H](CNc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001186803821 1084697961 /nfs/dbraw/zinc/69/79/61/1084697961.db2.gz IWLJUUAABLUWBJ-CVEARBPZSA-N 1 0 311.385 3.352 20 5 DGBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001186763870 1084699027 /nfs/dbraw/zinc/69/90/27/1084699027.db2.gz JSNJKJFDQBVOIY-NSHDSACASA-N 1 0 317.311 3.144 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1(C)C ZINC001186791217 1084704429 /nfs/dbraw/zinc/70/44/29/1084704429.db2.gz LTSYWSQQDBULFU-LSDHHAIUSA-N 1 0 314.389 3.284 20 5 DGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001187034009 1084749176 /nfs/dbraw/zinc/74/91/76/1084749176.db2.gz DSCAPZLKXUQKQY-NSHDSACASA-N 1 0 313.348 3.405 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC001226179747 1085975636 /nfs/dbraw/zinc/97/56/36/1085975636.db2.gz DUXOGPIKJUTZCN-MGCOHNPYSA-N 1 0 300.305 3.125 20 5 DGBDRO C[C@H](OCC[N+](C)(C)C)c1c(F)cccc1Br ZINC001224773531 1087445990 /nfs/dbraw/zinc/44/59/90/1087445990.db2.gz JFJOICWIDWPCGT-JTQLQIEISA-N 1 0 305.211 3.372 20 5 DGBDRO C[C@@H](OCC[N+](C)(C)C)c1cc(Br)ccc1F ZINC001224776596 1087447484 /nfs/dbraw/zinc/44/74/84/1087447484.db2.gz YBYTXMCQVUCMEE-SNVBAGLBSA-N 1 0 305.211 3.372 20 5 DGBDRO CC1(C)C[C@H](Nc2ncc([N+](=O)[O-])cc2F)C[C@@](C)(C[NH3+])C1 ZINC001158264401 1087749614 /nfs/dbraw/zinc/74/96/14/1087749614.db2.gz BITWBVMLIQFSSU-ZUZCIYMTSA-N 1 0 310.373 3.085 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158264746 1087749647 /nfs/dbraw/zinc/74/96/47/1087749647.db2.gz CLOSHFMDPHZYAK-BLLLJJGKSA-N 1 0 306.410 3.254 20 5 DGBDRO O=C(c1c2ccccc2cc2ccccc21)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158314501 1087771404 /nfs/dbraw/zinc/77/14/04/1087771404.db2.gz QCNZWHSWJJVJNW-QFBILLFUSA-N 1 0 316.404 3.427 20 5 DGBDRO C[C@@H]([NH3+])c1ccn(-c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)n1 ZINC001158356483 1087788759 /nfs/dbraw/zinc/78/87/59/1087788759.db2.gz QOZQSDZMCRMKCD-MRVPVSSYSA-N 1 0 317.736 3.002 20 5 DGBDRO CC[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C(C)(C)C1 ZINC001158561918 1087913307 /nfs/dbraw/zinc/91/33/07/1087913307.db2.gz SSZSJJHFJJWQPP-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1cc(Cl)nc(NC(C)(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001158757791 1088011758 /nfs/dbraw/zinc/01/17/58/1088011758.db2.gz QEFVYPLGPGFXFC-UHFFFAOYSA-N 1 0 300.790 3.094 20 5 DGBDRO [NH3+]Cc1ccn(-c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])c1 ZINC001158767668 1088016055 /nfs/dbraw/zinc/01/60/55/1088016055.db2.gz XCBIJFDIYVDHMT-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO Clc1ccc2ccc3ccc(N4CC[NH2+]C5(CC5)C4)nc3c2n1 ZINC001158936483 1088108669 /nfs/dbraw/zinc/10/86/69/1088108669.db2.gz GEQGUWRRONRZGV-UHFFFAOYSA-N 1 0 324.815 3.379 20 5 DGBDRO [NH3+]Cc1cnccc1Nc1ccc2nc3ccccc3cc2c1 ZINC001159741303 1088467568 /nfs/dbraw/zinc/46/75/68/1088467568.db2.gz KPLLKEQPMWONOM-UHFFFAOYSA-N 1 0 300.365 3.407 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001307651507 1088514403 /nfs/dbraw/zinc/51/44/03/1088514403.db2.gz JEIFXHIFGWSGLR-CYBMUJFWSA-N 1 0 302.378 3.067 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC001159923562 1088552900 /nfs/dbraw/zinc/55/29/00/1088552900.db2.gz QCPBCDKMUUVQGV-CQSZACIVSA-N 1 0 317.320 3.218 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(NC[C@@H]3CCCC[NH2+]3)c2c1 ZINC001160149885 1088671761 /nfs/dbraw/zinc/67/17/61/1088671761.db2.gz ACCOGESDHZEOLQ-JTQLQIEISA-N 1 0 320.780 3.350 20 5 DGBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NC[C@H]1CCCC[NH2+]1 ZINC001160154639 1088674608 /nfs/dbraw/zinc/67/46/08/1088674608.db2.gz JYBLCTVLLZWRBD-LLVKDONJSA-N 1 0 320.780 3.350 20 5 DGBDRO [NH3+]Cc1ccc(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cn1 ZINC001160405260 1088790817 /nfs/dbraw/zinc/79/08/17/1088790817.db2.gz GGOPJNXJLZOGHL-UHFFFAOYSA-N 1 0 321.340 3.254 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2ccc3cccc(C[NH3+])c32)n1 ZINC001160456374 1088813914 /nfs/dbraw/zinc/81/39/14/1088813914.db2.gz GQWHRBGXBIDOPP-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1CC[NH2+]1 ZINC001160734941 1088937046 /nfs/dbraw/zinc/93/70/46/1088937046.db2.gz MCPSSMDENIFFNX-IBGZPJMESA-N 1 0 304.393 3.313 20 5 DGBDRO CC(C)(C)[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001160916706 1089018728 /nfs/dbraw/zinc/01/87/28/1089018728.db2.gz GOOGDSWVPMOJPT-AWEZNQCLSA-N 1 0 314.389 3.442 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC001160970993 1089050372 /nfs/dbraw/zinc/05/03/72/1089050372.db2.gz UWQAQYQSBUKCJL-CYBMUJFWSA-N 1 0 300.362 3.039 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001160970678 1089051286 /nfs/dbraw/zinc/05/12/86/1089051286.db2.gz OCHAAVNTCMMPNP-CYBMUJFWSA-N 1 0 300.362 3.039 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001155306022 1089059930 /nfs/dbraw/zinc/05/99/30/1089059930.db2.gz FWMQVKVQVIOHHY-AWEZNQCLSA-N 1 0 320.352 3.165 20 5 DGBDRO O=C(CCc1c2ccccc2cc2ccccc21)N1CC[NH2+]C1 ZINC001161419086 1089233959 /nfs/dbraw/zinc/23/39/59/1089233959.db2.gz XEUIKSQVVIAKTB-UHFFFAOYSA-N 1 0 304.393 3.315 20 5 DGBDRO C[C@H](C[NH+](C)C)Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001155920616 1089301251 /nfs/dbraw/zinc/30/12/51/1089301251.db2.gz GOZVRGQXAUHNKR-SECBINFHSA-N 1 0 308.769 3.158 20 5 DGBDRO C[NH+](C)CCCCNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001161728284 1089373722 /nfs/dbraw/zinc/37/37/22/1089373722.db2.gz FPOMYBDGNPZQDQ-UHFFFAOYSA-N 1 0 306.341 3.036 20 5 DGBDRO C[NH+](C)CCCCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001161731153 1089376477 /nfs/dbraw/zinc/37/64/77/1089376477.db2.gz RSHLHPCWSICFJI-UHFFFAOYSA-N 1 0 305.300 3.367 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N(CC[NH3+])c2ccc(F)cc2)n1 ZINC001161877809 1089450891 /nfs/dbraw/zinc/45/08/91/1089450891.db2.gz RQBVPLGFCOJGFC-UHFFFAOYSA-N 1 0 324.743 3.188 20 5 DGBDRO CC(C)[NH+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001162084406 1089550017 /nfs/dbraw/zinc/55/00/17/1089550017.db2.gz VOURXCPCVWROMC-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO C[N@@H+]1CCC[C@@](C)(Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001162342270 1089683359 /nfs/dbraw/zinc/68/33/59/1089683359.db2.gz SZEOQLSSSYDHRZ-MRXNPFEDSA-N 1 0 300.362 3.039 20 5 DGBDRO Cc1cc(N[C@@]2(C)CCC[N@@H+](C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001162341892 1089684063 /nfs/dbraw/zinc/68/40/63/1089684063.db2.gz QAGABOCPAPGZJO-KRWDZBQOSA-N 1 0 314.389 3.348 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001162396297 1089712577 /nfs/dbraw/zinc/71/25/77/1089712577.db2.gz IUPNAWNEHOOISN-UWVGGRQHSA-N 1 0 303.284 3.295 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001162396299 1089712639 /nfs/dbraw/zinc/71/26/39/1089712639.db2.gz IUPNAWNEHOOISN-VHSXEESVSA-N 1 0 303.284 3.295 20 5 DGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162399801 1089715164 /nfs/dbraw/zinc/71/51/64/1089715164.db2.gz DURIZGKOTUUSBW-VHSXEESVSA-N 1 0 313.785 3.247 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162404205 1089719955 /nfs/dbraw/zinc/71/99/55/1089719955.db2.gz IZDITEJLZNJQGN-QWHCGFSZSA-N 1 0 307.394 3.372 20 5 DGBDRO CCOc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC001162472057 1089751523 /nfs/dbraw/zinc/75/15/23/1089751523.db2.gz UNPJULKVMZXWAE-OLZOCXBDSA-N 1 0 307.394 3.041 20 5 DGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001162489580 1089757151 /nfs/dbraw/zinc/75/71/51/1089757151.db2.gz KPHUZVOSJJCFPW-ZDUSSCGKSA-N 1 0 322.409 3.063 20 5 DGBDRO Cc1cc(N(C)[C@]2(C)CCC[NH2+]C2)nc2ccc([N+](=O)[O-])cc12 ZINC001156955708 1089762004 /nfs/dbraw/zinc/76/20/04/1089762004.db2.gz JVITWPZWQSJIND-QGZVFWFLSA-N 1 0 314.389 3.030 20 5 DGBDRO O=[N+]([O-])c1c(NC[C@]2(F)CCCC[NH2+]C2)ccc2ncccc21 ZINC001162583988 1089808694 /nfs/dbraw/zinc/80/86/94/1089808694.db2.gz XCEYSYTYGMCIBR-INIZCTEOSA-N 1 0 318.352 3.037 20 5 DGBDRO CCN(C)C(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001157464317 1089982710 /nfs/dbraw/zinc/98/27/10/1089982710.db2.gz CEKFVZXXEDKDOK-IBGZPJMESA-N 1 0 306.409 3.341 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001162847450 1089991205 /nfs/dbraw/zinc/99/12/05/1089991205.db2.gz QKKCLTPSLRJVSL-LLVKDONJSA-N 1 0 303.749 3.270 20 5 DGBDRO Cc1cc(N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])s1 ZINC001162880832 1090004206 /nfs/dbraw/zinc/00/42/06/1090004206.db2.gz MOORENBKLKAJTE-UHFFFAOYSA-N 1 0 309.435 3.419 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001163035221 1090059065 /nfs/dbraw/zinc/05/90/65/1090059065.db2.gz JCRZCDKRLNHFJD-UHFFFAOYSA-N 1 0 300.790 3.353 20 5 DGBDRO [NH3+]CC[C@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])c2ccccc21 ZINC001157740146 1090093003 /nfs/dbraw/zinc/09/30/03/1090093003.db2.gz RJWJZCFGVCTZGH-JTQLQIEISA-N 1 0 318.764 3.227 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001157802994 1090114792 /nfs/dbraw/zinc/11/47/92/1090114792.db2.gz GZSJTHFZMCGJMH-GJZGRUSLSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1c(C)c(NC2CCC(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001163301557 1090143658 /nfs/dbraw/zinc/14/36/58/1090143658.db2.gz IYZBWTSRIGAMFZ-UHFFFAOYSA-N 1 0 306.410 3.139 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC001163480490 1090196429 /nfs/dbraw/zinc/19/64/29/1090196429.db2.gz IBWSOBIZRVKEMD-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO Cc1cc(N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1Br ZINC001163782967 1090257699 /nfs/dbraw/zinc/25/76/99/1090257699.db2.gz VQSBSBQSIYTTCF-SECBINFHSA-N 1 0 316.199 3.028 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1NCCSCc1ccco1)C[NH2+]C2 ZINC001164224452 1090378392 /nfs/dbraw/zinc/37/83/92/1090378392.db2.gz UTXOZTSEAQFMEI-UHFFFAOYSA-N 1 0 319.386 3.136 20 5 DGBDRO C[C@@]1(C[NH3+])CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001164246876 1090385322 /nfs/dbraw/zinc/38/53/22/1090385322.db2.gz CWDWCRNFNZFHRE-QGZVFWFLSA-N 1 0 314.389 3.098 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001165260832 1090491688 /nfs/dbraw/zinc/49/16/88/1090491688.db2.gz JPHYDPQIOHIWPE-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1c(F)cnc(N2C[C@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001168546925 1090530732 /nfs/dbraw/zinc/53/07/32/1090530732.db2.gz ZEFKEHMFQKNRBT-NSHDSACASA-N 1 0 316.336 3.021 20 5 DGBDRO CCC1(CC)CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001204880827 1091053390 /nfs/dbraw/zinc/05/33/90/1091053390.db2.gz HYPMSMLDEKPBCD-UHFFFAOYSA-N 1 0 308.378 3.321 20 5 DGBDRO [NH3+]CC[C@@H](O)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001205770123 1091338743 /nfs/dbraw/zinc/33/87/43/1091338743.db2.gz ULNFXKCRSQIPAH-QGZVFWFLSA-N 1 0 319.364 3.425 20 5 DGBDRO C[NH+](C)CCn1cc(-c2cnc3c(ccc4cccnc43)c2)cn1 ZINC001206359640 1091597306 /nfs/dbraw/zinc/59/73/06/1091597306.db2.gz RRVZAFQKPCVBHG-UHFFFAOYSA-N 1 0 317.396 3.208 20 5 DGBDRO CC(C)(C)OC(=O)CCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001207128692 1091855648 /nfs/dbraw/zinc/85/56/48/1091855648.db2.gz DXDRJKWAGAMNBJ-UHFFFAOYSA-N 1 0 322.405 3.239 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCCO1 ZINC001207700019 1092073486 /nfs/dbraw/zinc/07/34/86/1092073486.db2.gz KUJMEYAXTHRCKB-WMLDXEAASA-N 1 0 306.406 3.465 20 5 DGBDRO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978029 1092457025 /nfs/dbraw/zinc/45/70/25/1092457025.db2.gz NWBLFKAQIGVUHF-ARFHVFGLSA-N 1 0 306.406 3.106 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978847 1092458994 /nfs/dbraw/zinc/45/89/94/1092458994.db2.gz UWCRGSMJRLUSBB-IIAWOOMASA-N 1 0 303.406 3.040 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC001168984268 1092460411 /nfs/dbraw/zinc/46/04/11/1092460411.db2.gz LNUJMJJYNCHJNM-OLMNPRSZSA-N 1 0 318.417 3.189 20 5 DGBDRO [NH3+]CCN(c1cccc2ccccc21)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959398 1092462679 /nfs/dbraw/zinc/46/26/79/1092462679.db2.gz VQDWZRIEMXYMJN-HOCLYGCPSA-N 1 0 313.401 3.050 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC001168957355 1092462918 /nfs/dbraw/zinc/46/29/18/1092462918.db2.gz GIYUOROXKWULIG-JQWIXIFHSA-N 1 0 302.296 3.240 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC001168960006 1092464781 /nfs/dbraw/zinc/46/47/81/1092464781.db2.gz YVNGNLTULQQTKV-WCBMZHEXSA-N 1 0 319.224 3.046 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)ccc(Cl)c2F)C1 ZINC001168964772 1092466547 /nfs/dbraw/zinc/46/65/47/1092466547.db2.gz WBKYFCQCLCCOMQ-RKDXNWHRSA-N 1 0 304.724 3.153 20 5 DGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965736 1092468172 /nfs/dbraw/zinc/46/81/72/1092468172.db2.gz CJZWZTVWTFGDFN-ZWNOBZJWSA-N 1 0 307.781 3.371 20 5 DGBDRO Cc1cccc2c(CC[NH3+])cn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)c21 ZINC001168968457 1092470094 /nfs/dbraw/zinc/47/00/94/1092470094.db2.gz ZGYFYMBCPMHCOJ-DZGCQCFKSA-N 1 0 301.390 3.069 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC001168967567 1092470767 /nfs/dbraw/zinc/47/07/67/1092470767.db2.gz QWRAAFPNGKRDRP-JOYOIKCWSA-N 1 0 320.286 3.380 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001168968506 1092471028 /nfs/dbraw/zinc/47/10/28/1092471028.db2.gz ZRGVHGGXHPMCGS-VXGBXAGGSA-N 1 0 318.295 3.120 20 5 DGBDRO COc1ccccc1CC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168991586 1092474316 /nfs/dbraw/zinc/47/43/16/1092474316.db2.gz HUBYWTVUNVNJNC-GDBMZVCRSA-N 1 0 318.417 3.195 20 5 DGBDRO COc1ccccc1C1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168992489 1092476771 /nfs/dbraw/zinc/47/67/71/1092476771.db2.gz KBYHKUAHSJQVMY-ZIAGYGMSSA-N 1 0 304.390 3.109 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2F)C1 ZINC001169000651 1092481322 /nfs/dbraw/zinc/48/13/22/1092481322.db2.gz YKXSGOZCHXTEPI-ZYHUDNBSSA-N 1 0 300.761 3.057 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3F)CCC2)C1 ZINC001169000291 1092481582 /nfs/dbraw/zinc/48/15/82/1092481582.db2.gz XJJNSZSXFNDUNB-ZFWWWQNUSA-N 1 0 306.381 3.326 20 5 DGBDRO O=C(c1ccccc1)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007292 1092485861 /nfs/dbraw/zinc/48/58/61/1092485861.db2.gz MKPZQMLMEWBZFY-PBHICJAKSA-N 1 0 316.401 3.027 20 5 DGBDRO C[N@H+](Cc1nc2ccccc2s1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013397 1092487810 /nfs/dbraw/zinc/48/78/10/1092487810.db2.gz UUQGPIGGWINDJG-VXGBXAGGSA-N 1 0 305.403 3.174 20 5 DGBDRO Cc1ccc(Cl)c(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1F ZINC001168989836 1092492595 /nfs/dbraw/zinc/49/25/95/1092492595.db2.gz WXCPPFGTCBRVMI-VXGBXAGGSA-N 1 0 314.788 3.365 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccccc3F)CC2)C1 ZINC001169029064 1092493552 /nfs/dbraw/zinc/49/35/52/1092493552.db2.gz UFBCTQPHXQSTRJ-UKRRQHHQSA-N 1 0 306.381 3.451 20 5 DGBDRO Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169029707 1092494768 /nfs/dbraw/zinc/49/47/68/1092494768.db2.gz VJDSIVPTOCVSDM-YESZJQIVSA-N 1 0 318.417 3.284 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC001169034941 1092496719 /nfs/dbraw/zinc/49/67/19/1092496719.db2.gz ISYBGGVWCVQLMR-BMFZPTHFSA-N 1 0 306.431 3.222 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Sc3ccncc3)CC2)C1 ZINC001169033648 1092496945 /nfs/dbraw/zinc/49/69/45/1092496945.db2.gz CYHJZXGSWOPCHE-KBPBESRZSA-N 1 0 321.446 3.084 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)C1 ZINC001169032985 1092497376 /nfs/dbraw/zinc/49/73/76/1092497376.db2.gz AMYUMWROQVTVIU-KCXAZCMYSA-N 1 0 324.421 3.361 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001169038660 1092500530 /nfs/dbraw/zinc/50/05/30/1092500530.db2.gz JYSYMHWJRDXGBX-STQMWFEESA-N 1 0 300.358 3.236 20 5 DGBDRO COc1ccccc1C[C@H](C)[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047454 1092507181 /nfs/dbraw/zinc/50/71/81/1092507181.db2.gz RCSNQRFXEUBZSE-DZKIICNBSA-N 1 0 306.406 3.003 20 5 DGBDRO C[NH2+]CCc1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001169046318 1092508119 /nfs/dbraw/zinc/50/81/19/1092508119.db2.gz KLGNITXTRHTZTM-DZGCQCFKSA-N 1 0 301.390 3.021 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2C)cc([N+](=O)[O-])c1 ZINC001120364509 1094415460 /nfs/dbraw/zinc/41/54/60/1094415460.db2.gz LRLQOBCVEJNZAF-MNOVXSKESA-N 1 0 318.377 3.057 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2COC[C@H]1C[NH2+]CCO1 ZINC001217822649 1094500425 /nfs/dbraw/zinc/50/04/25/1094500425.db2.gz UTRKTOYFOZBNEG-QGZVFWFLSA-N 1 0 307.393 3.498 20 5 DGBDRO O=[N+]([O-])c1ccccc1[C@@H](OC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC001217928036 1094519356 /nfs/dbraw/zinc/51/93/56/1094519356.db2.gz FIOVLEBPLFRHBA-QAPCUYQASA-N 1 0 312.369 3.453 20 5 DGBDRO O=[N+]([O-])c1c(O[C@H]2CCC[NH2+]C[C@H]2F)ccc2ccccc21 ZINC001217945439 1094524572 /nfs/dbraw/zinc/52/45/72/1094524572.db2.gz DECVVEKJUUMWJN-KGLIPLIRSA-N 1 0 304.321 3.217 20 5 DGBDRO Cc1cc(O[C@@H]2CCC[NH2+]C[C@H]2F)c([N+](=O)[O-])cc1Cl ZINC001217948248 1094525397 /nfs/dbraw/zinc/52/53/97/1094525397.db2.gz LTYDBCGJISCXJJ-ZYHUDNBSSA-N 1 0 302.733 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C[C@@H]2F)c(Cl)c1Cl ZINC001217951717 1094528038 /nfs/dbraw/zinc/52/80/38/1094528038.db2.gz UUODSSHKHYJYQO-CBAPKCEASA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CCC[NH2+]C[C@@H]2F)c(Cl)c1 ZINC001217953632 1094528912 /nfs/dbraw/zinc/52/89/12/1094528912.db2.gz YRGKNRUKSADGKI-WDEREUQCSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1c2c(O)cccc2cc2cccc(O)c21 ZINC001217967120 1094534015 /nfs/dbraw/zinc/53/40/15/1094534015.db2.gz AJLSMGFBFPSTIF-BZNIZROVSA-N 1 0 309.365 3.391 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)cc1C(F)(F)F ZINC001217970907 1094535425 /nfs/dbraw/zinc/53/54/25/1094535425.db2.gz CUFBKUVWOWHXQH-CMPLNLGQSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC[C@@H]2F)c(C(F)(F)F)c1 ZINC001217974313 1094536980 /nfs/dbraw/zinc/53/69/80/1094536980.db2.gz FGCTUDZFRMUPFC-JQWIXIFHSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[NH2+]CCC[C@@H]2F)c(Cl)c1 ZINC001217980726 1094540576 /nfs/dbraw/zinc/54/05/76/1094540576.db2.gz MOJMZAVAILERDA-WDEREUQCSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217980471 1094540580 /nfs/dbraw/zinc/54/05/80/1094540580.db2.gz YVBXKWODVWXBBA-ZFWWWQNUSA-N 1 0 304.321 3.217 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001217985206 1094543868 /nfs/dbraw/zinc/54/38/68/1094543868.db2.gz IEWGZHRRMJQEKI-ZANVPECISA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001217989460 1094545477 /nfs/dbraw/zinc/54/54/77/1094545477.db2.gz MHAWVYUJTIUJEB-BXKDBHETSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001217989719 1094545927 /nfs/dbraw/zinc/54/59/27/1094545927.db2.gz TYQROOMLNSXHNS-UFBFGSQYSA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001217990703 1094546448 /nfs/dbraw/zinc/54/64/48/1094546448.db2.gz VHJAQDGHIFYOAV-SKDRFNHKSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]CC2)c(Cl)c1Cl ZINC001217996444 1094549604 /nfs/dbraw/zinc/54/96/04/1094549604.db2.gz HXMJFBXLEDPAHM-MRVPVSSYSA-N 1 0 305.161 3.423 20 5 DGBDRO C[C@@H](Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218001971 1094551738 /nfs/dbraw/zinc/55/17/38/1094551738.db2.gz JKSCESDMFHCBSU-SECBINFHSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H](Oc1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218003345 1094553287 /nfs/dbraw/zinc/55/32/87/1094553287.db2.gz SILAMIFMDKIWMN-QMMMGPOBSA-N 1 0 302.733 3.154 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[NH2+]CC[C@H]2F)ccc1C(F)(F)F ZINC001218013586 1094560298 /nfs/dbraw/zinc/56/02/98/1094560298.db2.gz BYMRJZBORYGTNM-ZYHUDNBSSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]CC[C@@H]2F)c(Cl)c1Cl ZINC001218018063 1094561876 /nfs/dbraw/zinc/56/18/76/1094561876.db2.gz LSOLYQZKYHYZIY-CBAPKCEASA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(NC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC001121014190 1094569846 /nfs/dbraw/zinc/56/98/46/1094569846.db2.gz FLEDPRDECNSLEO-UHFFFAOYSA-N 1 0 304.375 3.132 20 5 DGBDRO Cc1c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)ccc2c1CC[NH2+]C2 ZINC001218045977 1094575638 /nfs/dbraw/zinc/57/56/38/1094575638.db2.gz RPOVTEQXEGXURR-KRWDZBQOSA-N 1 0 324.380 3.095 20 5 DGBDRO C[C@H]1C[C@H](Oc2ccc3c(c2)oc2ccccc2c3=O)CC[NH2+]1 ZINC001218057455 1094580721 /nfs/dbraw/zinc/58/07/21/1094580721.db2.gz RQMHZPGHDODVMI-GXTWGEPZSA-N 1 0 309.365 3.466 20 5 DGBDRO O=[N+]([O-])c1cccc2cc(O[C@@H]3CCC[C@@]34CC[NH2+]C4)cnc21 ZINC001218090066 1094595034 /nfs/dbraw/zinc/59/50/34/1094595034.db2.gz AOUOJVDTVYVJBG-WBVHZDCISA-N 1 0 313.357 3.054 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(O[C@@H]3CCC[C@]34CC[NH2+]C4)c2c1 ZINC001218094924 1094600183 /nfs/dbraw/zinc/60/01/83/1094600183.db2.gz ONELTHWZFZAELN-NVXWUHKLSA-N 1 0 313.357 3.054 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@]23CC[NH2+]C3)cc(C(F)(F)F)c1 ZINC001218116335 1094615130 /nfs/dbraw/zinc/61/51/30/1094615130.db2.gz JJCIGSMNXRDFKQ-CHWSQXEVSA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@]23CC[NH2+]C3)cc1C(F)(F)F ZINC001218118974 1094616944 /nfs/dbraw/zinc/61/69/44/1094616944.db2.gz WTADZKAWEDOFOA-CHWSQXEVSA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1C[C@H]2C[C@@H]1C[NH2+]2 ZINC001218141480 1094628302 /nfs/dbraw/zinc/62/83/02/1094628302.db2.gz ITLWBXCLOVEZOS-RKVPGOIHSA-N 1 0 310.353 3.391 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3C[C@H]4C[C@@H]3C[NH2+]4)cc2)c1 ZINC001218143014 1094629720 /nfs/dbraw/zinc/62/97/20/1094629720.db2.gz LJAULTARUDOEAU-RKVPGOIHSA-N 1 0 310.353 3.391 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)c(Cl)cc1Cl ZINC001218247960 1094679557 /nfs/dbraw/zinc/67/95/57/1094679557.db2.gz RRHLYMMGNLUEJY-XLDPMVHQSA-N 1 0 317.172 3.421 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC001218252853 1094682081 /nfs/dbraw/zinc/68/20/81/1094682081.db2.gz VLUGVWOEORTMIQ-VAOFZXAKSA-N 1 0 317.172 3.421 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(OC3CC4(C3)CCC[NH2+]C4)sc2c1 ZINC001218254181 1094683627 /nfs/dbraw/zinc/68/36/27/1094683627.db2.gz UBRNVAUGJYMSFA-UHFFFAOYSA-N 1 0 319.386 3.116 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1OC1CCC2(C[NH2+]C2)CC1 ZINC001218262679 1094686676 /nfs/dbraw/zinc/68/66/76/1094686676.db2.gz QLSUBROLHOQIRT-UHFFFAOYSA-N 1 0 314.744 3.298 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2C[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001218330091 1094720207 /nfs/dbraw/zinc/72/02/07/1094720207.db2.gz KEKFYVHHXOMZHV-RPVQJOFSSA-N 1 0 310.353 3.249 20 5 DGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[NH2+][C@@H]2C)c1Cl ZINC001218383723 1094742877 /nfs/dbraw/zinc/74/28/77/1094742877.db2.gz HFCGZZKRLPXZHO-LHLIQPBNSA-N 1 0 305.161 3.203 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218468748 1094794414 /nfs/dbraw/zinc/79/44/14/1094794414.db2.gz SOCXPWVEKVIDNP-JWKOBGCHSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)cc1Cl ZINC001218474284 1094796460 /nfs/dbraw/zinc/79/64/60/1094796460.db2.gz UPYNVRDJJSMQLI-DNSOKLHBSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(Cl)cc1Cl ZINC001218476203 1094799025 /nfs/dbraw/zinc/79/90/25/1094799025.db2.gz WAAFZMYFBUEVQW-PNLAZUSQSA-N 1 0 303.145 3.173 20 5 DGBDRO CC1(C)C[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218476955 1094800794 /nfs/dbraw/zinc/80/07/94/1094800794.db2.gz VBQPIWYQQMFFFK-MRVPVSSYSA-N 1 0 302.733 3.297 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(Cl)c1 ZINC001218480085 1094803114 /nfs/dbraw/zinc/80/31/14/1094803114.db2.gz ZIWSXQTZOCNHLJ-MQOMDTIOSA-N 1 0 303.145 3.173 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC001218487982 1094815973 /nfs/dbraw/zinc/81/59/73/1094815973.db2.gz XDWWEMBBMQUKCJ-HNNXBMFYSA-N 1 0 304.733 3.472 20 5 DGBDRO C[C@H]1CC[NH2+][C@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001218979111 1094917461 /nfs/dbraw/zinc/91/74/61/1094917461.db2.gz HTNGCOUOHRHPHT-LRDDRELGSA-N 1 0 320.396 3.110 20 5 DGBDRO CC[C@H](C)[C@@H]([NH3+])CC(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979002 1094918273 /nfs/dbraw/zinc/91/82/73/1094918273.db2.gz CHNYIYAYMXWMRF-WFASDCNBSA-N 1 0 322.412 3.485 20 5 DGBDRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979834 1094919931 /nfs/dbraw/zinc/91/99/31/1094919931.db2.gz IHWWRFQKKKVIFL-INIZCTEOSA-N 1 0 322.412 3.356 20 5 DGBDRO CCCC[C@H]([NH2+]C)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979652 1094920865 /nfs/dbraw/zinc/92/08/65/1094920865.db2.gz SMGCIPKSGMFQRZ-HNNXBMFYSA-N 1 0 322.412 3.500 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC001337396608 1094961124 /nfs/dbraw/zinc/96/11/24/1094961124.db2.gz RPDZLSBFRPXBNU-CQSZACIVSA-N 1 0 305.422 3.380 20 5 DGBDRO OCCCOCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001117629053 1095787858 /nfs/dbraw/zinc/78/78/58/1095787858.db2.gz NOJYBHUTCIKFPV-UHFFFAOYSA-N 1 0 309.409 3.482 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001222930208 1095793414 /nfs/dbraw/zinc/79/34/14/1095793414.db2.gz VXIHDLBXTBHQRD-AULYBMBSSA-N 1 0 319.361 3.125 20 5 DGBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)[C@@H]2C1 ZINC001340000448 1095807652 /nfs/dbraw/zinc/80/76/52/1095807652.db2.gz WVAKQUVFZBNNQH-MRCXROJRSA-N 1 0 311.332 3.285 20 5 DGBDRO COCCC[NH+]1CCC(O[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC001223426660 1095966430 /nfs/dbraw/zinc/96/64/30/1095966430.db2.gz ABZXXQXQBHHKQG-CQSZACIVSA-N 1 0 322.405 3.173 20 5 DGBDRO C[C@H](C[N+](C)(C)C)OC(Cl)(Cl)c1cccnc1Cl ZINC001223582850 1096005883 /nfs/dbraw/zinc/00/58/83/1096005883.db2.gz OKNOIIPSZUMPKL-SECBINFHSA-N 1 0 312.648 3.434 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)OCc1cccc(NC(=O)OC(C)(C)C)n1 ZINC001223734190 1096047829 /nfs/dbraw/zinc/04/78/29/1096047829.db2.gz CPFFYUKPDHGFFR-ZDUSSCGKSA-O 1 0 324.445 3.040 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC001119329332 1096169237 /nfs/dbraw/zinc/16/92/37/1096169237.db2.gz LPGUGRATURCWCU-ZDUSSCGKSA-N 1 0 318.352 3.097 20 5 DGBDRO COc1ccc(OC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001225771547 1096525525 /nfs/dbraw/zinc/52/55/25/1096525525.db2.gz HFXUTKVRONBGBI-UHFFFAOYSA-N 1 0 308.378 3.245 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225952326 1096572877 /nfs/dbraw/zinc/57/28/77/1096572877.db2.gz BRHIPPZMVFWJTJ-LLVKDONJSA-N 1 0 318.295 3.475 20 5 DGBDRO CC[NH+]1CCC(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001225956227 1096573363 /nfs/dbraw/zinc/57/33/63/1096573363.db2.gz KQBRGGZKHSFDCB-UHFFFAOYSA-N 1 0 318.295 3.477 20 5 DGBDRO CC[NH+]1CCC(Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC001226963826 1096828793 /nfs/dbraw/zinc/82/87/93/1096828793.db2.gz HJSJAYGSRWAKBV-UHFFFAOYSA-N 1 0 318.295 3.477 20 5 DGBDRO Cc1cnc(O[C@@H](CC[NH+](C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001227237183 1096902243 /nfs/dbraw/zinc/90/22/43/1096902243.db2.gz SDPMJAYFWJSTSG-INIZCTEOSA-N 1 0 315.373 3.370 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC001171607389 1096933638 /nfs/dbraw/zinc/93/36/38/1096933638.db2.gz HGDPMOFWVVHOFK-OAHLLOKOSA-N 1 0 322.405 3.359 20 5 DGBDRO COc1cnc(O[C@H](C)C[N+](C)(C)C)c2cc(Cl)ccc12 ZINC001227795079 1096991575 /nfs/dbraw/zinc/99/15/75/1096991575.db2.gz XOLBJOLMBHMHOD-LLVKDONJSA-N 1 0 309.817 3.370 20 5 DGBDRO CC[N@@H+]1CC[C@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001228179203 1097068736 /nfs/dbraw/zinc/06/87/36/1097068736.db2.gz BOECKOFOTZXTQE-AWEZNQCLSA-N 1 0 309.365 3.419 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC001228209415 1097074188 /nfs/dbraw/zinc/07/41/88/1097074188.db2.gz PYAAIFIVLGNSRN-LLVKDONJSA-N 1 0 307.375 3.068 20 5 DGBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001228450171 1097123731 /nfs/dbraw/zinc/12/37/31/1097123731.db2.gz IBONWFFNGVMSOC-CQSZACIVSA-N 1 0 320.389 3.357 20 5 DGBDRO O=[N+]([O-])c1ccncc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001228880861 1097209731 /nfs/dbraw/zinc/20/97/31/1097209731.db2.gz YPWXKDMJQINJPC-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO C[NH+]1CCC(Oc2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC001228930459 1097220306 /nfs/dbraw/zinc/22/03/06/1097220306.db2.gz MYNXMTQVOBXQIJ-UHFFFAOYSA-N 1 0 304.268 3.087 20 5 DGBDRO CC(=O)c1cccc([N+](=O)[O-])c1OC1CCC([NH+](C)C)CC1 ZINC001228971343 1097228637 /nfs/dbraw/zinc/22/86/37/1097228637.db2.gz PBCGHPIVDPDDOA-UHFFFAOYSA-N 1 0 306.362 3.049 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229007369 1097235329 /nfs/dbraw/zinc/23/53/29/1097235329.db2.gz HIANMNFDGXVQJY-CQSZACIVSA-N 1 0 301.346 3.005 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229007502 1097236042 /nfs/dbraw/zinc/23/60/42/1097236042.db2.gz IXBVJZJZKDYWFJ-AWEZNQCLSA-N 1 0 301.346 3.006 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229009972 1097236192 /nfs/dbraw/zinc/23/61/92/1097236192.db2.gz XZGPYPDGSGCBQX-OAHLLOKOSA-N 1 0 315.373 3.395 20 5 DGBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172897882 1097267262 /nfs/dbraw/zinc/26/72/62/1097267262.db2.gz CTDGXTYWRUTEBY-QGZVFWFLSA-N 1 0 324.380 3.315 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(O)c1)CC2 ZINC001172899629 1097267412 /nfs/dbraw/zinc/26/74/12/1097267412.db2.gz OMJZKCPBSHZGDH-INIZCTEOSA-N 1 0 312.369 3.338 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCC1CCOCC1)CC2 ZINC001172895929 1097278288 /nfs/dbraw/zinc/27/82/88/1097278288.db2.gz JNLATNUHJBRPMJ-QGZVFWFLSA-N 1 0 318.417 3.249 20 5 DGBDRO C[NH2+]CCN([C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)C ZINC001172913701 1097278330 /nfs/dbraw/zinc/27/83/30/1097278330.db2.gz UKDJZFISDCFHRR-INIZCTEOSA-N 1 0 319.449 3.162 20 5 DGBDRO CC(C)[C@@H]1COCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172920207 1097281056 /nfs/dbraw/zinc/28/10/56/1097281056.db2.gz IXICHHIQIDZXHI-WMZOPIPTSA-N 1 0 318.417 3.199 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@]13CCOC3)CC2 ZINC001172920084 1097281112 /nfs/dbraw/zinc/28/11/12/1097281112.db2.gz IHWPYKJWMMVPTJ-SJLPKXTDSA-N 1 0 316.401 3.097 20 5 DGBDRO CC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920031 1097281120 /nfs/dbraw/zinc/28/11/20/1097281120.db2.gz HUMOZLIOURBIHE-SJORKVTESA-N 1 0 316.401 3.143 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1cncs1)CC2 ZINC001172910850 1097292337 /nfs/dbraw/zinc/29/23/37/1097292337.db2.gz DNUIRIPVQMKRBU-CQSZACIVSA-N 1 0 317.414 3.131 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229344215 1097301897 /nfs/dbraw/zinc/30/18/97/1097301897.db2.gz SNNNOXIXDVZNKU-AWEZNQCLSA-N 1 0 301.346 3.005 20 5 DGBDRO CC(C)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007648 1097306784 /nfs/dbraw/zinc/30/67/84/1097306784.db2.gz WHGFROFZQRLZNL-UHFFFAOYSA-N 1 0 313.348 3.087 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC(F)(F)F)c1F ZINC001173175506 1097355801 /nfs/dbraw/zinc/35/58/01/1097355801.db2.gz OOPQPCTZXWAIJG-QMMMGPOBSA-N 1 0 324.274 3.216 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccco2)c1F ZINC001173174962 1097355860 /nfs/dbraw/zinc/35/58/60/1097355860.db2.gz HMMCZKLZJOQNIN-SNVBAGLBSA-N 1 0 308.309 3.056 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H](F)C[C@H]2C)c1F ZINC001173178297 1097356278 /nfs/dbraw/zinc/35/62/78/1097356278.db2.gz AERZWZUFQUJCHI-OUAUKWLOSA-N 1 0 314.332 3.106 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2C[C@H](F)C2)c1F ZINC001173190216 1097357780 /nfs/dbraw/zinc/35/77/80/1097357780.db2.gz WAJALMSUAYYXIL-DCAQKATOSA-N 1 0 314.332 3.011 20 5 DGBDRO CC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001173218080 1097369373 /nfs/dbraw/zinc/36/93/73/1097369373.db2.gz OEOMYUXPJMVFBE-SCLBCKFNSA-N 1 0 312.369 3.446 20 5 DGBDRO C[C@H](CCCC(C)(C)O)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218106 1097369617 /nfs/dbraw/zinc/36/96/17/1097369617.db2.gz OHZKHZHGIUVSES-ZIAGYGMSSA-N 1 0 308.422 3.445 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncc(Cl)c1 ZINC001173219616 1097370321 /nfs/dbraw/zinc/37/03/21/1097370321.db2.gz OIUIPFAZSVUPRT-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO COc1cc(F)cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173220164 1097371258 /nfs/dbraw/zinc/37/12/58/1097371258.db2.gz VCDTXJNPGLXYIW-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(F)(F)[C@H](F)C1 ZINC001173220597 1097371862 /nfs/dbraw/zinc/37/18/62/1097371862.db2.gz BCDVVKNAUKLWMT-GXFFZTMASA-N 1 0 302.296 3.205 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cnc2ccccn12 ZINC001173221764 1097371898 /nfs/dbraw/zinc/37/18/98/1097371898.db2.gz LZAHMAQEXHRJHS-CQSZACIVSA-N 1 0 324.384 3.306 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001173220759 1097372449 /nfs/dbraw/zinc/37/24/49/1097372449.db2.gz CDDZAIVSXSZKMZ-WMLDXEAASA-N 1 0 304.390 3.028 20 5 DGBDRO COCC[C@@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225715 1097374737 /nfs/dbraw/zinc/37/47/37/1097374737.db2.gz FNZXMTHCGGVIBN-HOCLYGCPSA-N 1 0 306.406 3.417 20 5 DGBDRO CCCOC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225513 1097374962 /nfs/dbraw/zinc/37/49/62/1097374962.db2.gz CTHZTHZHNLWGEJ-CQSZACIVSA-N 1 0 306.406 3.417 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C)[C@@](C)(O)CC1 ZINC001173226691 1097375154 /nfs/dbraw/zinc/37/51/54/1097375154.db2.gz NLPSTOZCALWHBR-VBQJREDUSA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2c(O)cccc2C1 ZINC001173229000 1097376157 /nfs/dbraw/zinc/37/61/57/1097376157.db2.gz POAQJNKJKXIFSX-ZDUSSCGKSA-N 1 0 312.369 3.290 20 5 DGBDRO Cc1cnc2c(c1)C[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173233826 1097378172 /nfs/dbraw/zinc/37/81/72/1097378172.db2.gz ZHNPZCTVOICJFO-AWEZNQCLSA-N 1 0 311.385 3.288 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001173235464 1097378433 /nfs/dbraw/zinc/37/84/33/1097378433.db2.gz XKOAFSMGKRPELD-WMLDXEAASA-N 1 0 318.417 3.274 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccccc1O ZINC001173234143 1097378585 /nfs/dbraw/zinc/37/85/85/1097378585.db2.gz NSKDVCNTZQWTLU-CYBMUJFWSA-N 1 0 300.358 3.064 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(c2ccccn2)CC1 ZINC001173236140 1097379664 /nfs/dbraw/zinc/37/96/64/1097379664.db2.gz XOZYQRZTCHWGLU-CQSZACIVSA-N 1 0 311.385 3.242 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnc(Cl)s1 ZINC001173209156 1097380293 /nfs/dbraw/zinc/38/02/93/1097380293.db2.gz AFDLFJGPSPWMNW-SECBINFHSA-N 1 0 311.794 3.426 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnccc1Cl ZINC001173212279 1097381613 /nfs/dbraw/zinc/38/16/13/1097381613.db2.gz ZAHYJFPIMJDCMQ-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC001173237789 1097392666 /nfs/dbraw/zinc/39/26/66/1097392666.db2.gz MSIZHWVYIXWWRT-XJKSGUPXSA-N 1 0 312.373 3.153 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH+]3CCC2CC3)cc(C(F)(F)F)c1 ZINC001229832868 1097395886 /nfs/dbraw/zinc/39/58/86/1097395886.db2.gz VMLUBDOFNIBHCR-ZDUSSCGKSA-N 1 0 316.279 3.087 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1c(Br)ccc2cccnc21 ZINC001229865433 1097401773 /nfs/dbraw/zinc/40/17/73/1097401773.db2.gz TXYNYBQVHJCTDA-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1nc2cccc(Br)c2o1 ZINC001230842603 1097604768 /nfs/dbraw/zinc/60/47/68/1097604768.db2.gz XJADEDYNIOQKES-SECBINFHSA-N 1 0 314.203 3.064 20 5 DGBDRO CC[C@@H](CC(=O)OC)c1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001231005834 1097644102 /nfs/dbraw/zinc/64/41/02/1097644102.db2.gz DNIIKUGNCPFBKS-CABCVRRESA-N 1 0 308.442 3.217 20 5 DGBDRO CC(=O)c1c(O[C@@H](C)C[N+](C)(C)C)ccc2cc(O)ccc21 ZINC001231020758 1097648878 /nfs/dbraw/zinc/64/88/78/1097648878.db2.gz ABAWRCKPQIMBEW-LBPRGKRZSA-O 1 0 302.394 3.222 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)CC1 ZINC001231330465 1097722632 /nfs/dbraw/zinc/72/26/32/1097722632.db2.gz ABMJMNHOJVRMSG-AWEZNQCLSA-N 1 0 324.380 3.156 20 5 DGBDRO Cc1c[nH+]ccc1Nc1c(N)c2cccnc2c2ncccc21 ZINC001174539763 1097748532 /nfs/dbraw/zinc/74/85/32/1097748532.db2.gz QHXIOKGHFJOZLJ-UHFFFAOYSA-N 1 0 301.353 3.234 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)nc12 ZINC001232218568 1097969710 /nfs/dbraw/zinc/96/97/10/1097969710.db2.gz IOOXEZKJMQVBST-SJORKVTESA-N 1 0 319.408 3.251 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232221075 1097971733 /nfs/dbraw/zinc/97/17/33/1097971733.db2.gz FGSDPNSCEAHZMC-GOSISDBHSA-N 1 0 320.440 3.309 20 5 DGBDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219090 1097972146 /nfs/dbraw/zinc/97/21/46/1097972146.db2.gz QNBMLIHRCRXTGS-HUUCEWRRSA-N 1 0 321.424 3.376 20 5 DGBDRO C[C@@](CO)([NH2+]CC1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001175323312 1098012862 /nfs/dbraw/zinc/01/28/62/1098012862.db2.gz LAJXJIWKKQUAED-KRWDZBQOSA-N 1 0 306.406 3.362 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCSC[C@H]2C2CC2)cc1 ZINC001176641587 1098395797 /nfs/dbraw/zinc/39/57/97/1098395797.db2.gz SHYPFSRAPJQKIO-INIZCTEOSA-N 1 0 322.430 3.191 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001233707833 1098414387 /nfs/dbraw/zinc/41/43/87/1098414387.db2.gz MDNZCIZUKKBIGJ-UHFFFAOYSA-N 1 0 323.349 3.145 20 5 DGBDRO Cc1c(=O)oc2ccc(Cl)cc2c1O[C@H](C)C[N+](C)(C)C ZINC001234040045 1098483208 /nfs/dbraw/zinc/48/32/08/1098483208.db2.gz VUQKQROGGQAALM-SNVBAGLBSA-N 1 0 310.801 3.228 20 5 DGBDRO Cc1cc(F)c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC001234059988 1098487299 /nfs/dbraw/zinc/48/72/99/1098487299.db2.gz MVBRCGGSVMUTPH-DRXBFXEBSA-N 1 0 308.353 3.151 20 5 DGBDRO Cc1cc(F)c(O[C@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001234240892 1098520731 /nfs/dbraw/zinc/52/07/31/1098520731.db2.gz MTPXKMMGKLIDKA-SNVBAGLBSA-N 1 0 305.211 3.370 20 5 DGBDRO COC(=O)c1cccc2ccc(O[C@@H](C)C[N+](C)(C)C)cc21 ZINC001234469421 1098562685 /nfs/dbraw/zinc/56/26/85/1098562685.db2.gz WWACVMXZHYXLSA-ZDUSSCGKSA-N 1 0 302.394 3.100 20 5 DGBDRO Cc1nccc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001234901891 1098701879 /nfs/dbraw/zinc/70/18/79/1098701879.db2.gz SXBWTBQNUYPAPK-WDNDVIMCSA-N 1 0 305.378 3.081 20 5 DGBDRO C[N@@H+](Cc1c2ccccc2cc2ccccc21)C[C@@H]1COCCN1 ZINC001235962662 1099294720 /nfs/dbraw/zinc/29/47/20/1099294720.db2.gz NZGPPWZAGJDDGK-GOSISDBHSA-N 1 0 320.436 3.413 20 5 DGBDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc2ccc3cccnc3c2n1 ZINC001236132540 1099420607 /nfs/dbraw/zinc/42/06/07/1099420607.db2.gz KTMBAEHCPKCMBL-GOSISDBHSA-N 1 0 320.440 3.357 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C)C[C@@H]2CC(C)C)c(F)cc1[N+](=O)[O-] ZINC001187709168 1099581880 /nfs/dbraw/zinc/58/18/80/1099581880.db2.gz QERMZIWWCWCABX-ZDUSSCGKSA-N 1 0 309.385 3.209 20 5 DGBDRO CC1(C)C[C@@H]([N@H+](CC[N+](=O)[O-])Cc2ccccc2)C(C)(C)O1 ZINC001192832334 1100667057 /nfs/dbraw/zinc/66/70/57/1100667057.db2.gz GZQFFZMQVKMCTJ-OAHLLOKOSA-N 1 0 306.406 3.111 20 5 DGBDRO C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193251010 1100721590 /nfs/dbraw/zinc/72/15/90/1100721590.db2.gz SYXPGMGODIFBBJ-GDBMZVCRSA-N 1 0 317.433 3.337 20 5 DGBDRO C[C@H]1C[C@H](C)C[NH+](CCN(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001194260551 1100904990 /nfs/dbraw/zinc/90/49/90/1100904990.db2.gz FAUROTXEVZVAKO-HOTGVXAUSA-N 1 0 319.449 3.047 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC001195316017 1101121790 /nfs/dbraw/zinc/12/17/90/1101121790.db2.gz WNOWGCJPYYCISL-MRXNPFEDSA-N 1 0 322.430 3.191 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCC(C)(C)C ZINC001195496571 1101150473 /nfs/dbraw/zinc/15/04/73/1101150473.db2.gz DPGYKZDVFGJPMN-GFCCVEGCSA-N 1 0 307.394 3.290 20 5 DGBDRO Cc1ccc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001196217226 1101267521 /nfs/dbraw/zinc/26/75/21/1101267521.db2.gz IPFNRLYLKYPDIC-QGZVFWFLSA-N 1 0 306.406 3.324 20 5 DGBDRO Cc1c(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC001196217720 1101269308 /nfs/dbraw/zinc/26/93/08/1101269308.db2.gz LEGZSGMVDQXKLM-KRWDZBQOSA-N 1 0 306.406 3.324 20 5 DGBDRO Cc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C)cc1 ZINC001196338279 1101287587 /nfs/dbraw/zinc/28/75/87/1101287587.db2.gz LCOYWUKJYIINKE-UHFFFAOYSA-N 1 0 316.405 3.400 20 5 DGBDRO C[C@@H](NCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001197646332 1101621668 /nfs/dbraw/zinc/62/16/68/1101621668.db2.gz DWZZDNWGEQUUIN-RBSFLKMASA-N 1 0 305.422 3.223 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC001197719162 1101641605 /nfs/dbraw/zinc/64/16/05/1101641605.db2.gz FRAKMRNQOINUEL-MJGOQNOKSA-N 1 0 308.381 3.411 20 5 DGBDRO Cc1[nH+]c2ccc(F)cn2c1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199828282 1102227586 /nfs/dbraw/zinc/22/75/86/1102227586.db2.gz FIVIABPEFOGULL-UHFFFAOYSA-N 1 0 302.265 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccc(Cl)c2F)cc1 ZINC001325841033 1103135713 /nfs/dbraw/zinc/13/57/13/1103135713.db2.gz UOFRTVYQUUHSLF-CQSZACIVSA-N 1 0 324.739 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccc(C(F)F)c2)cc1 ZINC001326156043 1103219279 /nfs/dbraw/zinc/21/92/79/1103219279.db2.gz LELLSYJOZZBEMO-OAHLLOKOSA-N 1 0 322.311 3.356 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC2(CC2(F)F)C1 ZINC001330354953 1104544430 /nfs/dbraw/zinc/54/44/30/1104544430.db2.gz SUNCRSUKPUVXEZ-VOALNZTBSA-N 1 0 314.307 3.442 20 5 DGBDRO Cc1ccc(-c2nc3ccccc3n2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001247048181 1104786361 /nfs/dbraw/zinc/78/63/61/1104786361.db2.gz KFFDHEDXOAUMMP-CQSZACIVSA-N 1 0 322.368 3.454 20 5 DGBDRO Cc1ccc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001249342700 1105271674 /nfs/dbraw/zinc/27/16/74/1105271674.db2.gz QUXGMCWKMKMLEN-OAHLLOKOSA-N 1 0 324.340 3.196 20 5 DGBDRO C[NH+](C)Cc1ccc2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2c1 ZINC001250899188 1105601680 /nfs/dbraw/zinc/60/16/80/1105601680.db2.gz JLTQVDVGMBVJSC-UHFFFAOYSA-N 1 0 314.320 3.339 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094262 1105887046 /nfs/dbraw/zinc/88/70/46/1105887046.db2.gz BANZXHJUWLMEJH-LSDHHAIUSA-N 1 0 305.422 3.286 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)c1ccccc1 ZINC001254530833 1106095093 /nfs/dbraw/zinc/09/50/93/1106095093.db2.gz BIINTWQEHOHBFX-PBHICJAKSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1ccccc1 ZINC001254533347 1106097207 /nfs/dbraw/zinc/09/72/07/1106097207.db2.gz KCJSGCNGRJNMBE-KDOFPFPSSA-N 1 0 314.385 3.023 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc2ccccc2n1C ZINC001254533240 1106097402 /nfs/dbraw/zinc/09/74/02/1106097402.db2.gz YPBULQPQTQIEIV-ZDUSSCGKSA-N 1 0 324.384 3.202 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(F)cn1 ZINC001254536774 1106097665 /nfs/dbraw/zinc/09/76/65/1106097665.db2.gz SWHPYEDNNSVSEQ-VXGBXAGGSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](C(C)(C)O)CC1 ZINC001254537788 1106097689 /nfs/dbraw/zinc/09/76/89/1106097689.db2.gz HPFDFVMFDVTMCF-FVQBIDKESA-N 1 0 320.433 3.445 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cc2cc(C[NH3+])ccc2n1 ZINC001254535847 1106098116 /nfs/dbraw/zinc/09/81/16/1106098116.db2.gz LQNCVHXDIIJTFB-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO Cc1ccnc(CCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254539925 1106098577 /nfs/dbraw/zinc/09/85/77/1106098577.db2.gz MJQCAJUOKPFDLD-HNNXBMFYSA-N 1 0 313.401 3.452 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1ncc2c1cccc2C[NH3+] ZINC001254539085 1106098584 /nfs/dbraw/zinc/09/85/84/1106098584.db2.gz FHARNLPDDPKPEQ-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cc2ccc(C[NH3+])cc2n1 ZINC001254542124 1106099772 /nfs/dbraw/zinc/09/97/72/1106099772.db2.gz MCVIABNFPAZBTA-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1Cc2ccc(F)cc2C1 ZINC001254549355 1106101375 /nfs/dbraw/zinc/10/13/75/1106101375.db2.gz SIGZGXNCHGRZAS-PXAZEXFGSA-N 1 0 314.360 3.422 20 5 DGBDRO Cc1ccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254548359 1106101425 /nfs/dbraw/zinc/10/14/25/1106101425.db2.gz HTSYNLDZYFZBHR-WMLDXEAASA-N 1 0 314.385 3.157 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCOC2)CC1 ZINC001254550159 1106101770 /nfs/dbraw/zinc/10/17/70/1106101770.db2.gz DSGNBBAIUDBKEW-AWEZNQCLSA-N 1 0 304.390 3.028 20 5 DGBDRO CO[C@H]1CCC[C@@H]2C[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254556410 1106103542 /nfs/dbraw/zinc/10/35/42/1106103542.db2.gz KVTXMSILOWPRIY-KBEGMRNHSA-N 1 0 318.417 3.273 20 5 DGBDRO Cc1nc2c(s1)C[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254560150 1106103872 /nfs/dbraw/zinc/10/38/72/1106103872.db2.gz PQDAOXKGNRONHU-NSHDSACASA-N 1 0 317.414 3.349 20 5 DGBDRO COC(C)(C)[C@H]1CCC[N@@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560869 1106103929 /nfs/dbraw/zinc/10/39/29/1106103929.db2.gz YQTKUDAHIBJACS-XJKSGUPXSA-N 1 0 306.406 3.415 20 5 DGBDRO COCC[C@@H]1CCCC[N@@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254561682 1106104486 /nfs/dbraw/zinc/10/44/86/1106104486.db2.gz IERXFWJSDHGIPK-ZBFHGGJFSA-N 1 0 306.406 3.417 20 5 DGBDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254565350 1106105154 /nfs/dbraw/zinc/10/51/54/1106105154.db2.gz OLLDQJWHAIZOKC-SLHHOWHOSA-N 1 0 304.390 3.168 20 5 DGBDRO Cc1ccc(F)c(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1F ZINC001254572843 1106106849 /nfs/dbraw/zinc/10/68/49/1106106849.db2.gz SZEZJLVAOHIFLN-CYBMUJFWSA-N 1 0 318.323 3.438 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cnc3ccccc3c1)C2 ZINC001254572415 1106107050 /nfs/dbraw/zinc/10/70/50/1106107050.db2.gz MUTVZCWCVAIUGV-QGZVFWFLSA-N 1 0 319.364 3.400 20 5 DGBDRO CC(C)[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254576334 1106107645 /nfs/dbraw/zinc/10/76/45/1106107645.db2.gz VOQSRVLUXHAAFZ-SJLPKXTDSA-N 1 0 311.385 3.444 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCc1c(F)cccc1F)C2 ZINC001254584207 1106108549 /nfs/dbraw/zinc/10/85/49/1106108549.db2.gz GCHOEYJBSIVMSV-CYBMUJFWSA-N 1 0 318.323 3.173 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(c3ccccc3)CC1)C2 ZINC001254580945 1106108574 /nfs/dbraw/zinc/10/85/74/1106108574.db2.gz ILKFQISGEICDQJ-KRWDZBQOSA-N 1 0 308.381 3.383 20 5 DGBDRO Cc1nc2cc(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)ccc2o1 ZINC001254585875 1106108947 /nfs/dbraw/zinc/10/89/47/1106108947.db2.gz XYIITCGUFSRJCM-OAHLLOKOSA-N 1 0 323.352 3.301 20 5 DGBDRO Cc1csc([C@@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254585329 1106109126 /nfs/dbraw/zinc/10/91/26/1106109126.db2.gz VKFSVVLLMAWHEK-MFKMUULPSA-N 1 0 303.387 3.178 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(Cc3ccc(O)cc3)CC1)C2 ZINC001254587764 1106109209 /nfs/dbraw/zinc/10/92/09/1106109209.db2.gz AWCZQTYKBCRGDT-MRXNPFEDSA-N 1 0 324.380 3.133 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCc3ccccc31)C2 ZINC001254586217 1106109213 /nfs/dbraw/zinc/10/92/13/1106109213.db2.gz IMYFPWKITYKRRF-WBVHZDCISA-N 1 0 308.381 3.382 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCc3sccc3C1)C2 ZINC001254593259 1106109899 /nfs/dbraw/zinc/10/98/99/1106109899.db2.gz KPYFVAQRYQWQQP-OAHLLOKOSA-N 1 0 300.383 3.182 20 5 DGBDRO C[N@H+](Cc1ccc(F)cc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597304 1106110483 /nfs/dbraw/zinc/11/04/83/1106110483.db2.gz HBCBMTGQVFUBOQ-KRWDZBQOSA-N 1 0 300.333 3.333 20 5 DGBDRO CCC1([NH+]2CCCC2)CCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001261852313 1107548672 /nfs/dbraw/zinc/54/86/72/1107548672.db2.gz ZBWYLDANFOGNKW-UHFFFAOYSA-N 1 0 318.421 3.143 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C2CC3(CC3(F)F)C2)cc([N+](=O)[O-])c1 ZINC001262484885 1107716885 /nfs/dbraw/zinc/71/68/85/1107716885.db2.gz NRBIBZDRRJVKFS-VOIZVOFFSA-N 1 0 312.316 3.442 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001319822288 1108651762 /nfs/dbraw/zinc/65/17/62/1108651762.db2.gz BARWBLRKMUVPLL-XHDPSFHLSA-N 1 0 310.781 3.249 20 5 DGBDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC001319832856 1108655746 /nfs/dbraw/zinc/65/57/46/1108655746.db2.gz UTLLOTFPHLGDCL-ZKVFWIFDSA-N 1 0 303.406 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001306943753 1111253295 /nfs/dbraw/zinc/25/32/95/1111253295.db2.gz QBOJRYXFCBUCCH-SNVBAGLBSA-N 1 0 315.295 3.262 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001306966120 1111255589 /nfs/dbraw/zinc/25/55/89/1111255589.db2.gz CTVBLSLPLLFWDU-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC001308283576 1111410697 /nfs/dbraw/zinc/41/06/97/1111410697.db2.gz ZGDLSIVQNDWAPL-LBPRGKRZSA-N 1 0 302.378 3.303 20 5 DGBDRO C[C@H](C[NH2+]Cc1cccc2nccn21)c1ccccc1[N+](=O)[O-] ZINC001308534604 1111439478 /nfs/dbraw/zinc/43/94/78/1111439478.db2.gz FFASJMYGBKWFLF-CYBMUJFWSA-N 1 0 310.357 3.136 20 5 DGBDRO COc1cccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001308534575 1111439566 /nfs/dbraw/zinc/43/95/66/1111439566.db2.gz DEUAQMXWQXFAKR-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC(C)(C)C1 ZINC001308547077 1111440778 /nfs/dbraw/zinc/44/07/78/1111440778.db2.gz ILUJZJPJCNJWDJ-RVDMUPIBSA-N 1 0 317.433 3.320 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3C[C@@H]4CC[C@@H](C4)C3)nc2c1 ZINC001308723259 1111466147 /nfs/dbraw/zinc/46/61/47/1111466147.db2.gz OYZYOUZVOXKHET-GDNZZTSVSA-N 1 0 300.362 3.139 20 5 DGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCSC1 ZINC000278432497 214149325 /nfs/dbraw/zinc/14/93/25/214149325.db2.gz KDFRSVSHSGJSFX-JTQLQIEISA-N 1 0 300.811 3.433 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)C2CCCCC2)cc1F ZINC000278667166 214312525 /nfs/dbraw/zinc/31/25/25/214312525.db2.gz QVGUUOJSPYTEEX-HNNXBMFYSA-N 1 0 310.369 3.155 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000316810447 231154090 /nfs/dbraw/zinc/15/40/90/231154090.db2.gz XBYWDZWLBJUEBQ-CYBMUJFWSA-N 1 0 307.394 3.137 20 5 DGBDRO O=[N+]([O-])c1cccc2c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)ccnc21 ZINC000322148670 231208805 /nfs/dbraw/zinc/20/88/05/231208805.db2.gz KUGBRCBTTLGTRT-STQMWFEESA-N 1 0 312.373 3.182 20 5 DGBDRO CN(C)[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000019998149 282180386 /nfs/dbraw/zinc/18/03/86/282180386.db2.gz IUCHCWPAQXLTDJ-AWEZNQCLSA-N 1 0 305.403 3.049 20 5 DGBDRO CC[C@H](NC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000295922069 529481109 /nfs/dbraw/zinc/48/11/09/529481109.db2.gz AEXCVJCEDWJQGS-WQVCFCJDSA-N 1 0 319.405 3.070 20 5 DGBDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000090528884 185300650 /nfs/dbraw/zinc/30/06/50/185300650.db2.gz GXUGIYIDQANVAK-YPMHNXCESA-N 1 0 302.378 3.217 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000319105674 529690476 /nfs/dbraw/zinc/69/04/76/529690476.db2.gz LINQVVHJCNYYDP-VIFPVBQESA-N 1 0 320.315 3.151 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)c(Cl)c1 ZINC000272828192 210228219 /nfs/dbraw/zinc/22/82/19/210228219.db2.gz QMXMYFVYIYKFFH-UHFFFAOYSA-N 1 0 310.781 3.251 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H](C)O ZINC000279096264 214633649 /nfs/dbraw/zinc/63/36/49/214633649.db2.gz NXJKZVNWWHEMHQ-QWHCGFSZSA-N 1 0 312.435 3.216 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000415758989 529730476 /nfs/dbraw/zinc/73/04/76/529730476.db2.gz IDMHXBWQEOSPDK-MRXNPFEDSA-N 1 0 322.409 3.042 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000181489955 199304981 /nfs/dbraw/zinc/30/49/81/199304981.db2.gz CLSBMJNAVCLLLH-GFCCVEGCSA-N 1 0 302.330 3.030 20 5 DGBDRO Cc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000067977375 190740674 /nfs/dbraw/zinc/74/06/74/190740674.db2.gz CTHDDSLBXPTLBK-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)CC1(C)C ZINC000331020632 232357066 /nfs/dbraw/zinc/35/70/66/232357066.db2.gz XTSKYGRETPKGJX-LBPRGKRZSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1cc(NCCC2(O)CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000286815335 219178595 /nfs/dbraw/zinc/17/85/95/219178595.db2.gz WKUFYHVXUYWUFB-UHFFFAOYSA-N 1 0 301.346 3.168 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C)CC1 ZINC000068838152 190786384 /nfs/dbraw/zinc/78/63/84/190786384.db2.gz WFGHGSYPBZNOFG-CYBMUJFWSA-N 1 0 319.405 3.354 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCSC1)C1CC1 ZINC000279681848 215058176 /nfs/dbraw/zinc/05/81/76/215058176.db2.gz ADIIVIUPIYLNHK-IUODEOHRSA-N 1 0 306.431 3.259 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCCOC1 ZINC000287154004 219346558 /nfs/dbraw/zinc/34/65/58/219346558.db2.gz SVUWCERKJHUJDM-AWEZNQCLSA-N 1 0 322.430 3.402 20 5 DGBDRO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173346810 186178731 /nfs/dbraw/zinc/17/87/31/186178731.db2.gz KQYVYDNVWUSMQX-QWHCGFSZSA-N 1 0 300.358 3.499 20 5 DGBDRO CC1(O)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000179723542 186209867 /nfs/dbraw/zinc/20/98/67/186209867.db2.gz CRRBUQKICZPXOT-UHFFFAOYSA-N 1 0 316.357 3.202 20 5 DGBDRO C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000265156067 186343574 /nfs/dbraw/zinc/34/35/74/186343574.db2.gz PXMFSXAVTDOHBL-MRXNPFEDSA-N 1 0 320.776 3.246 20 5 DGBDRO CCC[C@@H]([NH2+]CCCOCCOC)c1cccc([N+](=O)[O-])c1 ZINC000268745609 186375560 /nfs/dbraw/zinc/37/55/60/186375560.db2.gz RSLJUEWVBMYPGJ-MRXNPFEDSA-N 1 0 310.394 3.079 20 5 DGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000172865260 198160291 /nfs/dbraw/zinc/16/02/91/198160291.db2.gz JGLAHVJWYZKMHZ-NWDGAFQWSA-N 1 0 316.361 3.265 20 5 DGBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072775178 191226990 /nfs/dbraw/zinc/22/69/90/191226990.db2.gz AFPAXHRSSCEARP-DOMZBBRYSA-N 1 0 319.405 3.094 20 5 DGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173386098 198209503 /nfs/dbraw/zinc/20/95/03/198209503.db2.gz SPWXMMZRMVVXJW-CHWSQXEVSA-N 1 0 302.378 3.087 20 5 DGBDRO CCOC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174862563 198394613 /nfs/dbraw/zinc/39/46/13/198394613.db2.gz NAUQOEBXMXEIBC-LBPRGKRZSA-N 1 0 312.797 3.497 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNc1ccccn1 ZINC000163825476 432043088 /nfs/dbraw/zinc/04/30/88/432043088.db2.gz WFHJOBMBKVZFJB-CQSZACIVSA-N 1 0 314.389 3.451 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000179136920 432044481 /nfs/dbraw/zinc/04/44/81/432044481.db2.gz LOHRDBLBSQVGJI-ZMSDIMECSA-N 1 0 318.417 3.322 20 5 DGBDRO C[C@H]1CSCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179206088 432049551 /nfs/dbraw/zinc/04/95/51/432049551.db2.gz XALXWQJLRZAGGR-NSHDSACASA-N 1 0 319.386 3.187 20 5 DGBDRO CCC(CC)(CC)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000081156629 192230463 /nfs/dbraw/zinc/23/04/63/192230463.db2.gz BWFYXUNQGSGAHC-UHFFFAOYSA-N 1 0 323.393 3.100 20 5 DGBDRO Cc1c([C@@H](C)NC[C@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000165302706 432055564 /nfs/dbraw/zinc/05/55/64/432055564.db2.gz VNZGFGHVIVESBT-DZGCQCFKSA-N 1 0 305.422 3.286 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000179424825 432057591 /nfs/dbraw/zinc/05/75/91/432057591.db2.gz XLUFTXSDUVKGGK-JSGCOSHPSA-N 1 0 324.421 3.441 20 5 DGBDRO Cc1c([C@@H](C)NCC[N@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000133252772 432059480 /nfs/dbraw/zinc/05/94/80/432059480.db2.gz YVRDYOJYBWKXFO-CQSZACIVSA-N 1 0 305.422 3.428 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281625 432059980 /nfs/dbraw/zinc/05/99/80/432059980.db2.gz ZHINZWBZWUOYPJ-UBHSHLNASA-N 1 0 303.406 3.179 20 5 DGBDRO CN(C)[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000237002513 202117461 /nfs/dbraw/zinc/11/74/61/202117461.db2.gz YSSLOFFYKGGBBY-CDVVCGDMSA-N 1 0 315.373 3.094 20 5 DGBDRO CN(C)[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000237160517 202172386 /nfs/dbraw/zinc/17/23/86/202172386.db2.gz KIBRWVCGZQBPAR-AWEZNQCLSA-N 1 0 323.780 3.234 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CSCCS2)c(Cl)c1 ZINC000168133465 432067447 /nfs/dbraw/zinc/06/74/47/432067447.db2.gz YOKKOBFONPBCEK-NSHDSACASA-N 1 0 318.851 3.186 20 5 DGBDRO Cc1ccoc1CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000292363706 223023806 /nfs/dbraw/zinc/02/38/06/223023806.db2.gz QNXFSNJEDOAULW-UHFFFAOYSA-N 1 0 301.302 3.269 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCCOC(C)C)cc1[N+](=O)[O-] ZINC000179391922 199027076 /nfs/dbraw/zinc/02/70/76/199027076.db2.gz RLGVUTXCCCUWSL-ZDUSSCGKSA-N 1 0 310.394 3.459 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cccc1[N+](=O)[O-] ZINC000276730351 213073016 /nfs/dbraw/zinc/07/30/16/213073016.db2.gz FDIVMYWRDLDREI-UAGQMJEPSA-N 1 0 316.401 3.341 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cccc1[N+](=O)[O-] ZINC000276730346 213072713 /nfs/dbraw/zinc/07/27/13/213072713.db2.gz FDIVMYWRDLDREI-OIISXLGYSA-N 1 0 316.401 3.341 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000179642598 199068411 /nfs/dbraw/zinc/06/84/11/199068411.db2.gz LPGLSSJAYYGEQE-JZLODUJNSA-N 1 0 315.417 3.168 20 5 DGBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000179892748 432073817 /nfs/dbraw/zinc/07/38/17/432073817.db2.gz OKNICBHYZLLAAW-AWEZNQCLSA-N 1 0 320.389 3.246 20 5 DGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000280663212 215779277 /nfs/dbraw/zinc/77/92/77/215779277.db2.gz BPBBYVXTQHNGEZ-WBMJQRKESA-N 1 0 300.362 3.093 20 5 DGBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180857989 199219502 /nfs/dbraw/zinc/21/95/02/199219502.db2.gz HCHDZUXZMGHZND-OCCSQVGLSA-N 1 0 316.357 3.058 20 5 DGBDRO CC[C@H]([NH2+]CCCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181133353 199255597 /nfs/dbraw/zinc/25/55/97/199255597.db2.gz LQXFXIFFQHXOAY-KRWDZBQOSA-N 1 0 322.405 3.221 20 5 DGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000276516805 212933264 /nfs/dbraw/zinc/93/32/64/212933264.db2.gz XDIRGCXFQBUWBU-UHFFFAOYSA-N 1 0 321.421 3.097 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421834465 237766917 /nfs/dbraw/zinc/76/69/17/237766917.db2.gz OUGPJDKWCUCNRB-MRXNPFEDSA-N 1 0 311.385 3.070 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)C1CCCCC1 ZINC000423261065 296006934 /nfs/dbraw/zinc/00/69/34/296006934.db2.gz IYEAQFZHPVOBJJ-BBRMVZONSA-N 1 0 305.422 3.023 20 5 DGBDRO Cc1ccc(C[NH2+]CC[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000189852092 200460854 /nfs/dbraw/zinc/46/08/54/200460854.db2.gz SASRFDXWFLKFOX-SFHVURJKSA-N 1 0 314.385 3.291 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000428556384 238025240 /nfs/dbraw/zinc/02/52/40/238025240.db2.gz FOWCNTWPYNSDKE-NFBGWVBBSA-N 1 0 310.353 3.071 20 5 DGBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000429368311 238049652 /nfs/dbraw/zinc/04/96/52/238049652.db2.gz XWQORSDRWDFUGO-CYBMUJFWSA-N 1 0 321.396 3.040 20 5 DGBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429115335 238040809 /nfs/dbraw/zinc/04/08/09/238040809.db2.gz OAWLFGBGXHOUMR-CQSZACIVSA-N 1 0 312.369 3.420 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)c1cccnc1 ZINC000430217596 238071382 /nfs/dbraw/zinc/07/13/82/238071382.db2.gz JVNZAIQWRHIXNH-GFCCVEGCSA-N 1 0 301.346 3.191 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCCCCO)C1CC1 ZINC000271897451 209307012 /nfs/dbraw/zinc/30/70/12/209307012.db2.gz ULNSVLKHRFAULS-INIZCTEOSA-N 1 0 306.406 3.058 20 5 DGBDRO Cc1nn(C(C)C)cc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000281481276 216330289 /nfs/dbraw/zinc/33/02/89/216330289.db2.gz VLKPROFKUNJNOP-UHFFFAOYSA-N 1 0 302.378 3.013 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000193821823 201129572 /nfs/dbraw/zinc/12/95/72/201129572.db2.gz IRUYSCSYAQTJAM-UHFFFAOYSA-N 1 0 305.334 3.123 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000194006513 201160561 /nfs/dbraw/zinc/16/05/61/201160561.db2.gz LKXYIMLSAHNRTP-BXUZGUMPSA-N 1 0 305.378 3.010 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000441184685 239017791 /nfs/dbraw/zinc/01/77/91/239017791.db2.gz WQEAYPCATBGIOS-KBPBESRZSA-N 1 0 322.405 3.493 20 5 DGBDRO CCO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000194464166 201231534 /nfs/dbraw/zinc/23/15/34/201231534.db2.gz XBHYQMAFUJWFDY-KRWDZBQOSA-N 1 0 300.358 3.462 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000441387334 239046351 /nfs/dbraw/zinc/04/63/51/239046351.db2.gz VVGPXWBBMCGKRC-HNNXBMFYSA-N 1 0 322.405 3.493 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000441488579 239058167 /nfs/dbraw/zinc/05/81/67/239058167.db2.gz NDNOLEWLYNLBBR-OAHLLOKOSA-N 1 0 320.389 3.247 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1 ZINC000444659901 239316039 /nfs/dbraw/zinc/31/60/39/239316039.db2.gz FJVUWXMWVJPVIJ-NEPJUHHUSA-N 1 0 302.378 3.339 20 5 DGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCC1 ZINC000275501134 212375475 /nfs/dbraw/zinc/37/54/75/212375475.db2.gz SLCLZQAGJZERQB-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1cnc2ccccc21 ZINC000449098063 240016485 /nfs/dbraw/zinc/01/64/85/240016485.db2.gz GZLDPKPGRNRRAL-AWEZNQCLSA-N 1 0 324.384 3.165 20 5 DGBDRO CC[C@@H](NC(=O)[C@H](CC(C)(C)C)[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000449149630 240038703 /nfs/dbraw/zinc/03/87/03/240038703.db2.gz OBRBNASIPUJKNQ-CABCVRRESA-N 1 0 321.421 3.186 20 5 DGBDRO CC(C)C[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000449078236 240006103 /nfs/dbraw/zinc/00/61/03/240006103.db2.gz XMCVFCRDRIZLTL-ZBFHGGJFSA-N 1 0 307.438 3.092 20 5 DGBDRO Cc1nc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])sc1C ZINC000449195690 240061795 /nfs/dbraw/zinc/06/17/95/240061795.db2.gz RHKQXLZHNGKJJN-NSHDSACASA-N 1 0 319.430 3.431 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2ccccc2n1 ZINC000449217761 240074272 /nfs/dbraw/zinc/07/42/72/240074272.db2.gz BOVDWTIYRBJTSQ-CQSZACIVSA-N 1 0 324.384 3.006 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000449233885 240082129 /nfs/dbraw/zinc/08/21/29/240082129.db2.gz NTSBAXRHHPDNNI-NEPJUHHUSA-N 1 0 303.337 3.411 20 5 DGBDRO CCOC1CC(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449280138 240106253 /nfs/dbraw/zinc/10/62/53/240106253.db2.gz VXKJCAHAXHGXHY-VQCLRJIVSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)cn1 ZINC000449248894 240090286 /nfs/dbraw/zinc/09/02/86/240090286.db2.gz IISZLKDJPGGWPW-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449337287 240138945 /nfs/dbraw/zinc/13/89/45/240138945.db2.gz PIGHKEJIWOWOEL-GJZGRUSLSA-N 1 0 307.438 3.236 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1=CCCCC1 ZINC000449378783 240166144 /nfs/dbraw/zinc/16/61/44/240166144.db2.gz XWTGUYQEBGMFQA-ZDUSSCGKSA-N 1 0 317.389 3.402 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000449463828 240222357 /nfs/dbraw/zinc/22/23/57/240222357.db2.gz WXXXCULGNXIGJX-INMHGKMJSA-N 1 0 304.390 3.029 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC[C@@H]3CCOC3)C2)cc1 ZINC000449504864 240254206 /nfs/dbraw/zinc/25/42/06/240254206.db2.gz WJBGRLIRQDZBBK-ZBFHGGJFSA-N 1 0 304.390 3.201 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449557066 240288690 /nfs/dbraw/zinc/28/86/90/240288690.db2.gz UETIWQGXUWGIEH-KTGDWTQYSA-N 1 0 316.401 3.091 20 5 DGBDRO CCn1ccnc1[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449561198 240290995 /nfs/dbraw/zinc/29/09/95/240290995.db2.gz BLJVYAYADJQCTL-FWPCIQOSSA-N 1 0 300.362 3.175 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@@H]1CCOC1 ZINC000449690677 240372645 /nfs/dbraw/zinc/37/26/45/240372645.db2.gz QVSYYCNYBYUGEU-BAAYTWLHSA-N 1 0 304.390 3.404 20 5 DGBDRO COc1ccc(C[NH2+]CC(C)(C)C2(O)CCCC2)cc1[N+](=O)[O-] ZINC000449735860 240389121 /nfs/dbraw/zinc/38/91/21/240389121.db2.gz JRMXJAPKGQAQKH-UHFFFAOYSA-N 1 0 322.405 3.024 20 5 DGBDRO C[C@H](c1ccccc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000078462221 283865846 /nfs/dbraw/zinc/86/58/46/283865846.db2.gz PYFKEIXXXLQNJN-OAHLLOKOSA-N 1 0 311.385 3.478 20 5 DGBDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000091960207 193131891 /nfs/dbraw/zinc/13/18/91/193131891.db2.gz WXNUCEVRTQDLOK-RHSMWYFYSA-N 1 0 314.389 3.183 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCc3ccccn3)C2)cc1 ZINC000451550127 241167874 /nfs/dbraw/zinc/16/78/74/241167874.db2.gz RETYTMYCNBBKPJ-INIZCTEOSA-N 1 0 311.385 3.412 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCOC3CCC3)C2)cc1 ZINC000451549580 241169179 /nfs/dbraw/zinc/16/91/79/241169179.db2.gz PNTDWSIINKNLHR-HNNXBMFYSA-N 1 0 304.390 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)cc1 ZINC000451559593 241173673 /nfs/dbraw/zinc/17/36/73/241173673.db2.gz HHKWTVDJBMPVLV-RDJZCZTQSA-N 1 0 304.390 3.343 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451603849 241187305 /nfs/dbraw/zinc/18/73/05/241187305.db2.gz JYIQKYYWUKVCKX-HOCLYGCPSA-N 1 0 324.808 3.135 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000080476356 283898020 /nfs/dbraw/zinc/89/80/20/283898020.db2.gz DMJIQCXPJUWSCS-UHFFFAOYSA-N 1 0 321.421 3.142 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCC1CC1 ZINC000135287668 432109806 /nfs/dbraw/zinc/10/98/06/432109806.db2.gz CQRNDWKGIKVOQI-NSHDSACASA-N 1 0 316.361 3.438 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000271780263 209208222 /nfs/dbraw/zinc/20/82/22/209208222.db2.gz DNUAOEWSWTVPEW-NWANDNLSSA-N 1 0 322.792 3.295 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000271761827 209191808 /nfs/dbraw/zinc/19/18/08/209191808.db2.gz HWCPYBYKRMRFOK-INIZCTEOSA-N 1 0 316.332 3.046 20 5 DGBDRO COC(=O)CCC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093341484 284011037 /nfs/dbraw/zinc/01/10/37/284011037.db2.gz RIFHCKGTXJOIPH-UHFFFAOYSA-N 1 0 320.389 3.068 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1O ZINC000190047453 432117463 /nfs/dbraw/zinc/11/74/63/432117463.db2.gz PFMHNSLPRXTFNE-LRDDRELGSA-N 1 0 316.357 3.058 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)CCCO ZINC000468623799 244057510 /nfs/dbraw/zinc/05/75/10/244057510.db2.gz ZUXRKNHMKIUCGT-GXDHUFHOSA-N 1 0 306.406 3.386 20 5 DGBDRO COCC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470175597 244153418 /nfs/dbraw/zinc/15/34/18/244153418.db2.gz QZNIYYPZDBZWIY-GXDHUFHOSA-N 1 0 304.390 3.357 20 5 DGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000118976962 284131173 /nfs/dbraw/zinc/13/11/73/284131173.db2.gz SDLSEGNFPWKKDC-XJKSGUPXSA-N 1 0 319.405 3.400 20 5 DGBDRO Cn1cc(C[N@@H+]2CCC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093339787 193234571 /nfs/dbraw/zinc/23/45/71/193234571.db2.gz PRXWZOQDCSMRLL-UHFFFAOYSA-N 1 0 314.389 3.227 20 5 DGBDRO COc1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000093441985 193253429 /nfs/dbraw/zinc/25/34/29/193253429.db2.gz VKJBYGICNIHUIB-CHWSQXEVSA-N 1 0 320.389 3.234 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093480870 193257677 /nfs/dbraw/zinc/25/76/77/193257677.db2.gz DOKGPQADMHOKFY-RYUDHWBXSA-N 1 0 308.378 3.090 20 5 DGBDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093481436 193258127 /nfs/dbraw/zinc/25/81/27/193258127.db2.gz CECOGTKCUSQFLZ-GFCCVEGCSA-N 1 0 304.346 3.058 20 5 DGBDRO CCN(CC)C[C@@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482515320 244807607 /nfs/dbraw/zinc/80/76/07/244807607.db2.gz WPMLEERQFSNVQW-PBHICJAKSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000264909341 204260192 /nfs/dbraw/zinc/26/01/92/204260192.db2.gz YPOLUWYCYLYOQL-CXAGYDPISA-N 1 0 300.358 3.153 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000264962322 204307259 /nfs/dbraw/zinc/30/72/59/204307259.db2.gz NSTGTJQLVSZJCL-UHFFFAOYSA-N 1 0 314.389 3.110 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCSCC3)o2)c1 ZINC000126206948 284297767 /nfs/dbraw/zinc/29/77/67/284297767.db2.gz SYUYMFMZTJPCBI-UHFFFAOYSA-N 1 0 304.371 3.404 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000127311634 284334662 /nfs/dbraw/zinc/33/46/62/284334662.db2.gz CGSIYTKLHYQRQG-DYLHUKMJSA-N 1 0 303.406 3.024 20 5 DGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CCC1 ZINC000127753742 284350785 /nfs/dbraw/zinc/35/07/85/284350785.db2.gz DVPQOBIGLBLGBO-UHFFFAOYSA-N 1 0 300.305 3.428 20 5 DGBDRO C[C@@H](c1ccco1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282823373 217275166 /nfs/dbraw/zinc/27/51/66/217275166.db2.gz YSQZETIAHQBMKP-LBPRGKRZSA-N 1 0 317.345 3.209 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)cccc1[N+](=O)[O-] ZINC000161769085 197517734 /nfs/dbraw/zinc/51/77/34/197517734.db2.gz HCPARPXJXAECJE-CYBMUJFWSA-N 1 0 320.389 3.240 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000266455099 205359576 /nfs/dbraw/zinc/35/95/76/205359576.db2.gz XVGMOJFDFGXUBE-UHFFFAOYSA-N 1 0 307.394 3.278 20 5 DGBDRO CCC(CC)(CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000282931939 217334033 /nfs/dbraw/zinc/33/40/33/217334033.db2.gz IAWCDRBDCUKHOK-UHFFFAOYSA-N 1 0 300.786 3.279 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnn(C(C)(C)C)c1 ZINC000282959474 217351218 /nfs/dbraw/zinc/35/12/18/217351218.db2.gz HUSMHNHCIRYRNC-UHFFFAOYSA-N 1 0 316.405 3.221 20 5 DGBDRO CC[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775131 432130039 /nfs/dbraw/zinc/13/00/39/432130039.db2.gz NMSSVPCCDBGELC-ULQDDVLXSA-N 1 0 303.406 3.262 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000282981484 217367146 /nfs/dbraw/zinc/36/71/46/217367146.db2.gz DLULSYYKBMMGAR-HNNXBMFYSA-N 1 0 321.396 3.184 20 5 DGBDRO Cc1cc(N2CCS[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181501745 432132300 /nfs/dbraw/zinc/13/23/00/432132300.db2.gz YDCJUCWSSYDKDP-NSHDSACASA-N 1 0 303.387 3.393 20 5 DGBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000181663817 432140762 /nfs/dbraw/zinc/14/07/62/432140762.db2.gz KGWBFRAJBBLBLW-CYBMUJFWSA-N 1 0 301.346 3.110 20 5 DGBDRO Cc1cncc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000181831851 432146879 /nfs/dbraw/zinc/14/68/79/432146879.db2.gz PJKCYOWBHGLFGA-QGZVFWFLSA-N 1 0 311.385 3.409 20 5 DGBDRO O=[N+]([O-])c1cccc(CN(CC[NH+]2CCCCC2)C2CC2)c1 ZINC000153247246 284663612 /nfs/dbraw/zinc/66/36/12/284663612.db2.gz PDZXTHVELGBWCD-UHFFFAOYSA-N 1 0 303.406 3.045 20 5 DGBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])cc1Br ZINC000043596810 183375480 /nfs/dbraw/zinc/37/54/80/183375480.db2.gz ZMACTJAIWATFTC-UHFFFAOYSA-N 1 0 316.199 3.109 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(CC)CC)cc1[N+](=O)[O-] ZINC000153734129 284688080 /nfs/dbraw/zinc/68/80/80/284688080.db2.gz BZAYYYPZIZPREC-MLGOLLRUSA-N 1 0 324.421 3.441 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284184833 217920849 /nfs/dbraw/zinc/92/08/49/217920849.db2.gz REXMLLPFQCCWKC-LLVKDONJSA-N 1 0 301.346 3.036 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000285084583 218284704 /nfs/dbraw/zinc/28/47/04/218284704.db2.gz JTYJEMHNMMHJAW-GHJWDPDVSA-N 1 0 307.394 3.031 20 5 DGBDRO Cc1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000285165368 218315426 /nfs/dbraw/zinc/31/54/26/218315426.db2.gz PMZXNJIYCSFHOB-UHFFFAOYSA-N 1 0 304.390 3.296 20 5 DGBDRO CCC[NH+]1CCC(N(C)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000109786124 194284584 /nfs/dbraw/zinc/28/45/84/194284584.db2.gz KRLAZPFWLUEEJP-UHFFFAOYSA-N 1 0 305.422 3.209 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+](C)C1CCCCC1 ZINC000110042126 194305611 /nfs/dbraw/zinc/30/56/11/194305611.db2.gz BMPFIFOKTZWFAB-UHFFFAOYSA-N 1 0 306.410 3.365 20 5 DGBDRO Cc1nccn1CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268850083 207017129 /nfs/dbraw/zinc/01/71/29/207017129.db2.gz KCMBAWXSZVEGRP-ZDUSSCGKSA-N 1 0 302.378 3.149 20 5 DGBDRO CCC[C@H](CCO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268890108 207060468 /nfs/dbraw/zinc/06/04/68/207060468.db2.gz CRKQDONYGPDEKC-RHSMWYFYSA-N 1 0 320.433 3.304 20 5 DGBDRO C[C@H](NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000246216324 284876905 /nfs/dbraw/zinc/87/69/05/284876905.db2.gz GGKIJLDGYBPTFR-APHBMKBZSA-N 1 0 319.405 3.070 20 5 DGBDRO CCC[NH+](CCC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000060090182 184143950 /nfs/dbraw/zinc/14/39/50/184143950.db2.gz SPALZLJVJGHGID-UHFFFAOYSA-N 1 0 307.394 3.354 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)cccc1[N+](=O)[O-] ZINC000269123393 207258850 /nfs/dbraw/zinc/25/88/50/207258850.db2.gz YAOSIKQWVODNJJ-RZAIGCCYSA-N 1 0 312.369 3.212 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(C)C)C1CC1 ZINC000063493188 184283453 /nfs/dbraw/zinc/28/34/53/184283453.db2.gz LGCJSSCBXFSUJJ-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1cccc(C2([NH2+]CCn3ccc([N+](=O)[O-])n3)CCCC2)c1 ZINC000176230062 252701235 /nfs/dbraw/zinc/70/12/35/252701235.db2.gz VEPGEJCSWOUHDB-UHFFFAOYSA-N 1 0 314.389 3.159 20 5 DGBDRO CC(C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000269629373 207696561 /nfs/dbraw/zinc/69/65/61/207696561.db2.gz DTCMSUCBLPHTAL-MRXNPFEDSA-N 1 0 300.358 3.153 20 5 DGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000183046387 252746978 /nfs/dbraw/zinc/74/69/78/252746978.db2.gz OQDURJFWYLSGBT-MNOVXSKESA-N 1 0 304.350 3.169 20 5 DGBDRO CC[NH+](CC)C[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269676472 207749783 /nfs/dbraw/zinc/74/97/83/207749783.db2.gz YUIZNJGHNIDPMO-NSHDSACASA-N 1 0 313.348 3.041 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c2nccn21 ZINC000296329733 252872451 /nfs/dbraw/zinc/87/24/51/252872451.db2.gz GHLQPKFLMJLKPM-MFKMUULPSA-N 1 0 320.780 3.283 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332669617 252926022 /nfs/dbraw/zinc/92/60/22/252926022.db2.gz DTNYVGWDBZTWAI-JCURWCKSSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000336999646 253033556 /nfs/dbraw/zinc/03/35/56/253033556.db2.gz RFOBTPGIPKQPHT-ZIAGYGMSSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000337308018 253082542 /nfs/dbraw/zinc/08/25/42/253082542.db2.gz SSDYPPUXVZEVJA-AAEUAGOBSA-N 1 0 300.305 3.153 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)c(Cl)c1 ZINC000337310653 253083359 /nfs/dbraw/zinc/08/33/59/253083359.db2.gz UTKKMYPGLKLEOP-RYUDHWBXSA-N 1 0 320.723 3.498 20 5 DGBDRO CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337252764 253070596 /nfs/dbraw/zinc/07/05/96/253070596.db2.gz OZUHFQMYDHLLBI-AWEZNQCLSA-N 1 0 319.405 3.436 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000341742448 285088318 /nfs/dbraw/zinc/08/83/18/285088318.db2.gz DTVXBNDQBINARB-JTQLQIEISA-N 1 0 316.188 3.186 20 5 DGBDRO CCSCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000337435839 253115805 /nfs/dbraw/zinc/11/58/05/253115805.db2.gz WONPNVXBDJAFHL-STQMWFEESA-N 1 0 312.439 3.008 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000337557315 253138855 /nfs/dbraw/zinc/13/88/55/253138855.db2.gz SDSZKUSFTXQEIV-BIMULSAOSA-N 1 0 300.305 3.406 20 5 DGBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000337951784 253199070 /nfs/dbraw/zinc/19/90/70/253199070.db2.gz LSJFCDJSDRDCCO-RNZFLTOJSA-N 1 0 301.321 3.493 20 5 DGBDRO CCC(CC)(CCO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000338378960 253277153 /nfs/dbraw/zinc/27/71/53/253277153.db2.gz XLJKDMBDFBXCFF-UHFFFAOYSA-N 1 0 300.786 3.279 20 5 DGBDRO COCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000338381532 253277971 /nfs/dbraw/zinc/27/79/71/253277971.db2.gz NLHOQDJEDSKAGY-OAHLLOKOSA-N 1 0 310.394 3.144 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000281891979 285111237 /nfs/dbraw/zinc/11/12/37/285111237.db2.gz AYEHUNXIDVMCFE-INIZCTEOSA-N 1 0 304.390 3.076 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCn2cccn2)cc1[N+](=O)[O-] ZINC000159084083 197325665 /nfs/dbraw/zinc/32/56/65/197325665.db2.gz VHZCWVRMADNMRE-KBPBESRZSA-N 1 0 302.378 3.229 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000338728656 253342557 /nfs/dbraw/zinc/34/25/57/253342557.db2.gz ZSIUDVHDEGTNNH-BBRMVZONSA-N 1 0 300.362 3.189 20 5 DGBDRO Cc1cc(CN(C)c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)no1 ZINC000272884761 210275298 /nfs/dbraw/zinc/27/52/98/210275298.db2.gz WIBXDTWPIYBKTG-UHFFFAOYSA-N 1 0 312.329 3.384 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000187883187 285162714 /nfs/dbraw/zinc/16/27/14/285162714.db2.gz ZYUYFSZWTZBVFS-VKZRIFJHSA-N 1 0 318.417 3.199 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000187883242 285162793 /nfs/dbraw/zinc/16/27/93/285162793.db2.gz ZYUYFSZWTZBVFS-KBEGMRNHSA-N 1 0 318.417 3.199 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000179136908 285161498 /nfs/dbraw/zinc/16/14/98/285161498.db2.gz LOHRDBLBSQVGJI-YQQAZPJKSA-N 1 0 318.417 3.322 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccsc2)n1 ZINC000447529824 285169619 /nfs/dbraw/zinc/16/96/19/285169619.db2.gz MUMGYRVJRBPSQL-OLZOCXBDSA-N 1 0 306.391 3.126 20 5 DGBDRO Cc1cnc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000343103084 254099848 /nfs/dbraw/zinc/09/98/48/254099848.db2.gz OBRZLBCVVRJMIH-CZUORRHYSA-N 1 0 314.389 3.402 20 5 DGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)c2cccnc21 ZINC000343358856 254131334 /nfs/dbraw/zinc/13/13/34/254131334.db2.gz VSEZMPARGDPXGF-UHFFFAOYSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000150893403 285173341 /nfs/dbraw/zinc/17/33/41/285173341.db2.gz MDABPYMPKLHFEP-LBPRGKRZSA-N 1 0 324.812 3.098 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343682061 254177615 /nfs/dbraw/zinc/17/76/15/254177615.db2.gz HSVALVJFTACTFC-OLZOCXBDSA-N 1 0 307.394 3.290 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CCC[N@@H+]2C)CC1 ZINC000343750647 254184533 /nfs/dbraw/zinc/18/45/33/254184533.db2.gz OCBRTPCVBZKKRG-CQSZACIVSA-N 1 0 303.406 3.216 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000344054586 254218743 /nfs/dbraw/zinc/21/87/43/254218743.db2.gz JGQYTADDWSYSKP-KBPBESRZSA-N 1 0 317.389 3.210 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255848676 285182315 /nfs/dbraw/zinc/18/23/15/285182315.db2.gz VKMRFIZLRIGSPS-IOBAAEILSA-N 1 0 317.433 3.272 20 5 DGBDRO CC[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344283007 254249986 /nfs/dbraw/zinc/24/99/86/254249986.db2.gz WCDFHVSKVZLTFQ-BLLLJJGKSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCOC1 ZINC000344622464 254290021 /nfs/dbraw/zinc/29/00/21/254290021.db2.gz ZCJMVQXUJOWVEN-OCCSQVGLSA-N 1 0 316.357 3.369 20 5 DGBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000157003376 197154992 /nfs/dbraw/zinc/15/49/92/197154992.db2.gz QOAOOGPUASMBBJ-IAQYHMDHSA-N 1 0 306.387 3.215 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000344842682 254309822 /nfs/dbraw/zinc/30/98/22/254309822.db2.gz HCLUEGQRBCBBDH-UJEYXKBXSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154961116 197008408 /nfs/dbraw/zinc/00/84/08/197008408.db2.gz BVNJNUBNDNGYEN-WFASDCNBSA-N 1 0 303.362 3.141 20 5 DGBDRO CO[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000294775796 224213414 /nfs/dbraw/zinc/21/34/14/224213414.db2.gz KQSANICUFYIKDT-AWEZNQCLSA-N 1 0 306.387 3.004 20 5 DGBDRO C[N@H+](CCC1CCOCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000120585525 195195792 /nfs/dbraw/zinc/19/57/92/195195792.db2.gz PJAZVXCUCBFZBE-UHFFFAOYSA-N 1 0 312.797 3.497 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCCOC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000120600000 195198697 /nfs/dbraw/zinc/19/86/97/195198697.db2.gz RZSXEUHUWGHJSM-ZBFHGGJFSA-N 1 0 322.405 3.140 20 5 DGBDRO CC(=O)Nc1cccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])c1 ZINC000120693223 195218114 /nfs/dbraw/zinc/21/81/14/195218114.db2.gz AVOBPUUQZGNWCO-GFCCVEGCSA-N 1 0 313.357 3.404 20 5 DGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000120775445 195234550 /nfs/dbraw/zinc/23/45/50/195234550.db2.gz CIXPSWXOTWOGHZ-UHFFFAOYSA-N 1 0 321.421 3.097 20 5 DGBDRO CCC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271590405 209038189 /nfs/dbraw/zinc/03/81/89/209038189.db2.gz YGHKAEAQBSUHRV-CHWSQXEVSA-N 1 0 320.311 3.339 20 5 DGBDRO CCC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271590413 209038931 /nfs/dbraw/zinc/03/89/31/209038931.db2.gz YGHKAEAQBSUHRV-STQMWFEESA-N 1 0 320.311 3.339 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CSC)C1 ZINC000292441155 533218182 /nfs/dbraw/zinc/21/81/82/533218182.db2.gz OLXHWSOZHLWKHA-LBPRGKRZSA-N 1 0 310.419 3.178 20 5 DGBDRO CCc1nnc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000289583109 221084356 /nfs/dbraw/zinc/08/43/56/221084356.db2.gz AOLAOGQPAICBBC-LLVKDONJSA-N 1 0 320.418 3.120 20 5 DGBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000289706722 221168585 /nfs/dbraw/zinc/16/85/85/221168585.db2.gz FCVGWWXZBBTBGX-VXGBXAGGSA-N 1 0 304.346 3.368 20 5 DGBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000289796114 221231462 /nfs/dbraw/zinc/23/14/62/221231462.db2.gz MQJZBANQYOFVFD-CQSZACIVSA-N 1 0 322.405 3.383 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000339397726 285318212 /nfs/dbraw/zinc/31/82/12/285318212.db2.gz TWYLPKWSZMCWKV-LLVKDONJSA-N 1 0 310.741 3.344 20 5 DGBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1[C@H]1CCCO1 ZINC000289803762 221236325 /nfs/dbraw/zinc/23/63/25/221236325.db2.gz NWTBPSOBVDRTCC-CVEARBPZSA-N 1 0 304.390 3.027 20 5 DGBDRO CCOc1cc(C[N@H+]([C@H](C)CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000347156475 285335776 /nfs/dbraw/zinc/33/57/76/285335776.db2.gz CPSMKLJMYCVWPY-CYBMUJFWSA-N 1 0 322.405 3.119 20 5 DGBDRO CC(C)(CCCO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271617378 209065109 /nfs/dbraw/zinc/06/51/09/209065109.db2.gz XWZDTKURJSOQHH-INIZCTEOSA-N 1 0 320.433 3.304 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CC1([NH+](C)C)CCC1 ZINC000470212490 533380478 /nfs/dbraw/zinc/38/04/78/533380478.db2.gz VSADWEITZFXIGA-PTNGSMBKSA-N 1 0 317.433 3.414 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000470181500 533381669 /nfs/dbraw/zinc/38/16/69/533381669.db2.gz DEPUVPIOWAVTIU-DZKOEADISA-N 1 0 304.390 3.091 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000468748320 533383954 /nfs/dbraw/zinc/38/39/54/533383954.db2.gz PTABGOBSXUXEKI-PSIJOBTASA-N 1 0 315.417 3.213 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CCCCO1 ZINC000470174521 533407930 /nfs/dbraw/zinc/40/79/30/533407930.db2.gz LROMUWLEKAWCLM-IDKBZEPQSA-N 1 0 304.390 3.499 20 5 DGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000279555369 130751329 /nfs/dbraw/zinc/75/13/29/130751329.db2.gz RHGYTSXQYURUKX-GXSJLCMTSA-N 1 0 318.295 3.128 20 5 DGBDRO CCOCC(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595047488 400088063 /nfs/dbraw/zinc/08/80/63/400088063.db2.gz FPSQKTNKFVBVAY-GFCCVEGCSA-N 1 0 310.394 3.317 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@H](OC)C1CC1 ZINC000595052099 400090543 /nfs/dbraw/zinc/09/05/43/400090543.db2.gz QOAIUILXNQQOFI-MMPTUQATSA-N 1 0 308.378 3.068 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000595054141 400091835 /nfs/dbraw/zinc/09/18/35/400091835.db2.gz XTLMWSTXSUFCQS-NSHDSACASA-N 1 0 310.394 3.051 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056531 400092964 /nfs/dbraw/zinc/09/29/64/400092964.db2.gz LFNGNFFVUVDADB-KGLIPLIRSA-N 1 0 305.422 3.427 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056570 400093311 /nfs/dbraw/zinc/09/33/11/400093311.db2.gz MIBKTMMGCBCJRO-QWHCGFSZSA-N 1 0 321.421 3.127 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC000595065800 400096524 /nfs/dbraw/zinc/09/65/24/400096524.db2.gz VHNXCHFOCZHGIE-YVLOBAKFSA-N 1 0 324.446 3.244 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000595069410 400097473 /nfs/dbraw/zinc/09/74/73/400097473.db2.gz SACCHYWYDNXKQJ-IAQYHMDHSA-N 1 0 304.390 3.068 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCOC(C)(C)C ZINC000595077432 400100405 /nfs/dbraw/zinc/10/04/05/400100405.db2.gz RMYMKLFVGYQTSU-LBPRGKRZSA-N 1 0 310.394 3.459 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595075558 400100445 /nfs/dbraw/zinc/10/04/45/400100445.db2.gz YWXORDBHDBDHEA-SAQLIBDLSA-N 1 0 324.446 3.325 20 5 DGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC000091407476 400116454 /nfs/dbraw/zinc/11/64/54/400116454.db2.gz FSRMLQNHCJVJJB-ZDUSSCGKSA-N 1 0 324.384 3.375 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CC(C)(C)OC ZINC000595024841 400079553 /nfs/dbraw/zinc/07/95/53/400079553.db2.gz HMKMDVJWQACRJV-RYUDHWBXSA-N 1 0 310.394 3.458 20 5 DGBDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595024955 400079708 /nfs/dbraw/zinc/07/97/08/400079708.db2.gz IBDXVLXZWIBRDN-CHWSQXEVSA-N 1 0 310.394 3.053 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCC(C)(C)CO ZINC000595025753 400080675 /nfs/dbraw/zinc/08/06/75/400080675.db2.gz MKWRGZBNOUJVHQ-GFCCVEGCSA-N 1 0 310.394 3.053 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000595028659 400081648 /nfs/dbraw/zinc/08/16/48/400081648.db2.gz WTJBDZMODGYAJJ-UTUOFQBUSA-N 1 0 308.378 3.210 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(C)CCOCC1 ZINC000595028789 400081720 /nfs/dbraw/zinc/08/17/20/400081720.db2.gz VCGUDXQZOFQTTQ-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000595035398 400084004 /nfs/dbraw/zinc/08/40/04/400084004.db2.gz ITNSHLLVQKBJKI-RYUDHWBXSA-N 1 0 308.378 3.212 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCO1 ZINC000595036991 400085016 /nfs/dbraw/zinc/08/50/16/400085016.db2.gz ZCUHLYYIHWEXHP-TUKIKUTGSA-N 1 0 308.378 3.212 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000595511714 400173556 /nfs/dbraw/zinc/17/35/56/400173556.db2.gz KMLMWZOCEIUNSX-YUELXQCFSA-N 1 0 308.353 3.027 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1Nc1ccc(CC[NH+](C)C)cc1 ZINC000092651992 400189418 /nfs/dbraw/zinc/18/94/18/400189418.db2.gz FADWGMYOLWWGOO-UHFFFAOYSA-N 1 0 300.362 3.146 20 5 DGBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000595295760 400120549 /nfs/dbraw/zinc/12/05/49/400120549.db2.gz REZRXZXEYOWEOJ-UHFFFAOYSA-N 1 0 300.333 3.333 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000595303771 400123115 /nfs/dbraw/zinc/12/31/15/400123115.db2.gz BINXJJZLEKIHRB-INIZCTEOSA-N 1 0 321.396 3.184 20 5 DGBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000608833392 400127909 /nfs/dbraw/zinc/12/79/09/400127909.db2.gz YXJBUFFWMHGOGO-UHFFFAOYSA-N 1 0 304.346 3.479 20 5 DGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595327482 400128714 /nfs/dbraw/zinc/12/87/14/400128714.db2.gz OURVLIKCXFQJKM-OAHLLOKOSA-N 1 0 309.385 3.040 20 5 DGBDRO Cc1c(C[N@@H+](C[C@H](C)O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000608869028 400129506 /nfs/dbraw/zinc/12/95/06/400129506.db2.gz LGEPUMJUESQBNM-ZDUSSCGKSA-N 1 0 306.406 3.419 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000595333202 400129950 /nfs/dbraw/zinc/12/99/50/400129950.db2.gz NDSXXOVBOJRDQR-MRXNPFEDSA-N 1 0 308.353 3.127 20 5 DGBDRO CC(C)[NH+](CCNc1c(Cl)cncc1[N+](=O)[O-])C(C)C ZINC000312662049 400135813 /nfs/dbraw/zinc/13/58/13/400135813.db2.gz WKKGFANVPYJVLB-UHFFFAOYSA-N 1 0 300.790 3.174 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[NH+](CC2CC2)CC2CC2)cc1 ZINC000609673021 400186290 /nfs/dbraw/zinc/18/62/90/400186290.db2.gz FPYJLQXYUFPBAZ-UHFFFAOYSA-N 1 0 304.390 3.486 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000595425058 400145468 /nfs/dbraw/zinc/14/54/68/400145468.db2.gz JZCZKFGIMZRTKW-INIZCTEOSA-N 1 0 301.321 3.370 20 5 DGBDRO C[C@](CO)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000609707696 400187171 /nfs/dbraw/zinc/18/71/71/400187171.db2.gz SWLSKAXGKCPAPX-YPLUBFQTSA-N 1 0 312.369 3.105 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000609234764 400152592 /nfs/dbraw/zinc/15/25/92/400152592.db2.gz LQLTZGDNOMIRTC-BXUZGUMPSA-N 1 0 307.394 3.336 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609705151 400187641 /nfs/dbraw/zinc/18/76/41/400187641.db2.gz VTZJKZNSRQHMIT-AWEZNQCLSA-N 1 0 311.813 3.211 20 5 DGBDRO CCOC(=O)CC1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000595469159 400160503 /nfs/dbraw/zinc/16/05/03/400160503.db2.gz UTLKYYMPFOLCGX-UHFFFAOYSA-N 1 0 324.352 3.090 20 5 DGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000319744679 400161260 /nfs/dbraw/zinc/16/12/60/400161260.db2.gz UCDTZUZVBUACEK-SECBINFHSA-N 1 0 320.315 3.149 20 5 DGBDRO C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000595502214 400170669 /nfs/dbraw/zinc/17/06/69/400170669.db2.gz QXFBHAIHBPAYAZ-ZDUSSCGKSA-N 1 0 321.396 3.040 20 5 DGBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000067948942 400219197 /nfs/dbraw/zinc/21/91/97/400219197.db2.gz WRWWUMICJDOZEO-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595676733 400224669 /nfs/dbraw/zinc/22/46/69/400224669.db2.gz NSJWEVMBANSESH-BXUZGUMPSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000025508037 400238305 /nfs/dbraw/zinc/23/83/05/400238305.db2.gz QWYKXKDXOWICAJ-OBJOEFQTSA-N 1 0 319.405 3.208 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601124262 400240846 /nfs/dbraw/zinc/24/08/46/400240846.db2.gz CQPKEUBYQWPUFU-CQSZACIVSA-N 1 0 314.389 3.064 20 5 DGBDRO CC[C@H](C)[N@H+](CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595592674 400196288 /nfs/dbraw/zinc/19/62/88/400196288.db2.gz IHDUEWRSAKPFGQ-NSHDSACASA-N 1 0 304.350 3.265 20 5 DGBDRO CCOc1ccc(NC(=O)C[N@H+](CC)[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000595593418 400197161 /nfs/dbraw/zinc/19/71/61/400197161.db2.gz PQWJBFWLRHTUOD-LBPRGKRZSA-N 1 0 323.393 3.052 20 5 DGBDRO CC[C@H](C)[N@H+](CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595593762 400197300 /nfs/dbraw/zinc/19/73/00/400197300.db2.gz UTUFXFHDCVEAFF-NSHDSACASA-N 1 0 304.350 3.265 20 5 DGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000595766692 400254310 /nfs/dbraw/zinc/25/43/10/400254310.db2.gz YXZIAXKLAWDKQX-CQSZACIVSA-N 1 0 305.378 3.010 20 5 DGBDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595638090 400213579 /nfs/dbraw/zinc/21/35/79/400213579.db2.gz BXFMOOGTRBDKRT-LBPRGKRZSA-N 1 0 307.394 3.256 20 5 DGBDRO O=[N+]([O-])c1sccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000067905634 400214914 /nfs/dbraw/zinc/21/49/14/400214914.db2.gz XSTQSZCUYNYVJP-GFCCVEGCSA-N 1 0 307.375 3.498 20 5 DGBDRO CC(C)c1ccc(C[NH+]2CCC([C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000092970172 400217562 /nfs/dbraw/zinc/21/75/62/400217562.db2.gz UTXMLUMWFHRXEY-ZDUSSCGKSA-N 1 0 306.406 3.311 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2C[C@@H](CO)C2)c2ccccc2)c1 ZINC000601290776 400285103 /nfs/dbraw/zinc/28/51/03/400285103.db2.gz CJRJYBMRVNHJRI-RPVQJOFSSA-N 1 0 312.369 3.045 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)C1CC1 ZINC000601306369 400287510 /nfs/dbraw/zinc/28/75/10/400287510.db2.gz HJUXVTURZIVYOV-FRRDWIJNSA-N 1 0 314.307 3.456 20 5 DGBDRO [NH3+][C@@H]1CCc2ccccc2N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000595903686 400290491 /nfs/dbraw/zinc/29/04/91/400290491.db2.gz AHGRHAKWQZGTLJ-CYBMUJFWSA-N 1 0 315.348 3.014 20 5 DGBDRO Cc1c(CN2C[C@H]([NH3+])CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000595903763 400290545 /nfs/dbraw/zinc/29/05/45/400290545.db2.gz FFUQHTMAROVIKE-MRXNPFEDSA-N 1 0 311.385 3.183 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000595910853 400292418 /nfs/dbraw/zinc/29/24/18/400292418.db2.gz SWSVVQPSUUGWIU-QWHCGFSZSA-N 1 0 319.405 3.208 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CC1(C)C ZINC000595911572 400293556 /nfs/dbraw/zinc/29/35/56/400293556.db2.gz YPOHALAAYJWWOX-ZDUSSCGKSA-N 1 0 319.405 3.210 20 5 DGBDRO Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000610729632 400297702 /nfs/dbraw/zinc/29/77/02/400297702.db2.gz WVYVZTHJOSLPAZ-MRXNPFEDSA-N 1 0 318.352 3.113 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595789026 400261679 /nfs/dbraw/zinc/26/16/79/400261679.db2.gz PBRMDURNCSJMIN-KRWDZBQOSA-N 1 0 304.390 3.376 20 5 DGBDRO CC[NH+]1CCC(n2nc(C)cc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000601941424 400381638 /nfs/dbraw/zinc/38/16/38/400381638.db2.gz WVAROOXVFDCFTB-UHFFFAOYSA-N 1 0 314.389 3.424 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)cn1 ZINC000072521976 400386084 /nfs/dbraw/zinc/38/60/84/400386084.db2.gz PQNIQHVZFOEKCI-AWEZNQCLSA-N 1 0 316.361 3.222 20 5 DGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])s1)CCC(F)(F)F ZINC000617210307 400330520 /nfs/dbraw/zinc/33/05/20/400330520.db2.gz ZOBPZSKCAVWOLN-UHFFFAOYSA-N 1 0 311.329 3.343 20 5 DGBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000590080194 400353906 /nfs/dbraw/zinc/35/39/06/400353906.db2.gz PFKYIZLBNUDQNY-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ccc([N+](=O)[O-])cn1)CC2 ZINC000596256090 400362267 /nfs/dbraw/zinc/36/22/67/400362267.db2.gz YQBNWHMTPRQBTF-UHFFFAOYSA-N 1 0 318.421 3.081 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCSC ZINC000611248353 400364202 /nfs/dbraw/zinc/36/42/02/400364202.db2.gz ZRMZMNOJFDUJJV-NSHDSACASA-N 1 0 300.449 3.418 20 5 DGBDRO COc1cc(NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1C ZINC000596261829 400364687 /nfs/dbraw/zinc/36/46/87/400364687.db2.gz XFGWCIDNGWMDDI-UHFFFAOYSA-N 1 0 307.394 3.198 20 5 DGBDRO CC[N@@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C1 ZINC000596268126 400367108 /nfs/dbraw/zinc/36/71/08/400367108.db2.gz DWOLXOZKLBGUNW-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000611266572 400368581 /nfs/dbraw/zinc/36/85/81/400368581.db2.gz AHMXLIUIXWHMEX-HYXAFXHYSA-N 1 0 324.380 3.414 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCC1)OCCO2 ZINC000611267342 400369377 /nfs/dbraw/zinc/36/93/77/400369377.db2.gz QHBMCPPPMQUULT-AWEZNQCLSA-N 1 0 318.373 3.131 20 5 DGBDRO CC(C)[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000590211011 400370068 /nfs/dbraw/zinc/37/00/68/400370068.db2.gz QKQHXAJSLFOKHF-QGZVFWFLSA-N 1 0 322.405 3.111 20 5 DGBDRO C[C@@H]1COCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611272346 400371367 /nfs/dbraw/zinc/37/13/67/400371367.db2.gz ANEBNYVQLZNMPZ-CYBMUJFWSA-N 1 0 316.357 3.466 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000596305787 400374594 /nfs/dbraw/zinc/37/45/94/400374594.db2.gz ALTOTNIGAVGGKD-GFCCVEGCSA-N 1 0 314.389 3.428 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000596305814 400374680 /nfs/dbraw/zinc/37/46/80/400374680.db2.gz APPUDKWYRHZBSN-JTQLQIEISA-N 1 0 312.801 3.176 20 5 DGBDRO COc1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC000596305902 400374797 /nfs/dbraw/zinc/37/47/97/400374797.db2.gz COEVRHNBGYRCMS-SNVBAGLBSA-N 1 0 311.357 3.027 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000596308796 400376894 /nfs/dbraw/zinc/37/68/94/400376894.db2.gz VHGLIXAGEJWHKI-LBPRGKRZSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000611516689 400413780 /nfs/dbraw/zinc/41/37/80/400413780.db2.gz XIVYEVACSCBDEC-CABCVRRESA-N 1 0 305.422 3.427 20 5 DGBDRO CC[C@@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[NH+](CC)CC ZINC000590549482 400395416 /nfs/dbraw/zinc/39/54/16/400395416.db2.gz GNJRBCWPWHAUKO-ZDUSSCGKSA-N 1 0 307.394 3.271 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(CCO)CCCC1 ZINC000072925882 400415068 /nfs/dbraw/zinc/41/50/68/400415068.db2.gz CRXNQIARZAINHX-FNORWQNLSA-N 1 0 304.390 3.140 20 5 DGBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000590569241 400397437 /nfs/dbraw/zinc/39/74/37/400397437.db2.gz PAIFXPDWIUMGES-ONGXEEELSA-N 1 0 317.311 3.142 20 5 DGBDRO CCC(CC)(CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000116347676 400409067 /nfs/dbraw/zinc/40/90/67/400409067.db2.gz OYHMZHPPRNLLOA-UHFFFAOYSA-N 1 0 318.373 3.496 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000072872260 400410404 /nfs/dbraw/zinc/41/04/04/400410404.db2.gz SGNSAGPXXMJSNL-UTUOFQBUSA-N 1 0 316.361 3.294 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(Cl)c1 ZINC000596477894 400424172 /nfs/dbraw/zinc/42/41/72/400424172.db2.gz LNZSSRIRRHHCGV-LLVKDONJSA-N 1 0 324.812 3.462 20 5 DGBDRO Cc1cc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000596480944 400425698 /nfs/dbraw/zinc/42/56/98/400425698.db2.gz VGARSBUSONCZAP-CYBMUJFWSA-N 1 0 304.394 3.117 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](Nc2ccc(C(=O)CC)cc2[N+](=O)[O-])C1 ZINC000596518011 400435694 /nfs/dbraw/zinc/43/56/94/400435694.db2.gz SIVYZKRIEBMBMO-CYBMUJFWSA-N 1 0 305.378 3.084 20 5 DGBDRO COc1cccc([N+](=O)[O-])c1NCC1CC[NH+](CC2CC2)CC1 ZINC000596561929 400445234 /nfs/dbraw/zinc/44/52/34/400445234.db2.gz IKFWENDVNSDQQG-UHFFFAOYSA-N 1 0 319.405 3.137 20 5 DGBDRO C[C@@H](CCNC(=O)c1cc2ccccc2c2cccnc12)[NH+](C)C ZINC000617749248 400445901 /nfs/dbraw/zinc/44/59/01/400445901.db2.gz GVBPTSQPKKTOAB-AWEZNQCLSA-N 1 0 321.424 3.458 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000596518548 400436395 /nfs/dbraw/zinc/43/63/95/400436395.db2.gz WJJPOBAJPQWZBC-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO CC(C)CCO[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000596618693 400460198 /nfs/dbraw/zinc/46/01/98/400460198.db2.gz WWEBWPYDSCHFAT-OAHLLOKOSA-N 1 0 310.369 3.371 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC000044715110 400500096 /nfs/dbraw/zinc/50/00/96/400500096.db2.gz AXAJTQWYFKADGQ-UHFFFAOYSA-N 1 0 319.405 3.436 20 5 DGBDRO C[C@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000602578280 400503069 /nfs/dbraw/zinc/50/30/69/400503069.db2.gz WYBSTULAYKPDHH-CYBMUJFWSA-N 1 0 318.295 3.272 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCC(C)C)C1CC1 ZINC000044898445 400505441 /nfs/dbraw/zinc/50/54/41/400505441.db2.gz BACCIWPNYCWVBF-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000612194059 400506284 /nfs/dbraw/zinc/50/62/84/400506284.db2.gz SFLYPHFYLUKXKS-INIZCTEOSA-N 1 0 312.369 3.251 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](NCC23CC(C2)C[NH2+]3)c2ccccc2)c1 ZINC000596655326 400473363 /nfs/dbraw/zinc/47/33/63/400473363.db2.gz UWSZUCCKZKXJRN-PJOPYLDSSA-N 1 0 323.396 3.026 20 5 DGBDRO CC(C)C([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000591025270 400477885 /nfs/dbraw/zinc/47/78/85/400477885.db2.gz OEWUTBHEAAZBTO-UHFFFAOYSA-N 1 0 307.394 3.194 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c2c(c1)COCO2 ZINC000591061809 400480527 /nfs/dbraw/zinc/48/05/27/400480527.db2.gz JFKUTHOPNGKBFB-CYBMUJFWSA-N 1 0 318.373 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCn2cnc3ccccc32)cc1 ZINC000602505605 400482862 /nfs/dbraw/zinc/48/28/62/400482862.db2.gz ZJTMZYMMELOGTQ-UHFFFAOYSA-N 1 0 324.384 3.167 20 5 DGBDRO C[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602510396 400484110 /nfs/dbraw/zinc/48/41/10/400484110.db2.gz NHOILNFQZLYWOP-DZGCQCFKSA-N 1 0 318.421 3.127 20 5 DGBDRO C[C@H]1C[C@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602516330 400486272 /nfs/dbraw/zinc/48/62/72/400486272.db2.gz ZCNWELZQVGAGBO-BQBZGAKWSA-N 1 0 305.197 3.164 20 5 DGBDRO CN1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347869 400512777 /nfs/dbraw/zinc/51/27/77/400512777.db2.gz GEPRRYHRKFWTPG-KRWDZBQOSA-N 1 0 303.406 3.046 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000602553908 400495059 /nfs/dbraw/zinc/49/50/59/400495059.db2.gz XVCDALYONCPBDF-ZDUSSCGKSA-N 1 0 318.295 3.130 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCCC(F)(F)C3)nc2c1 ZINC000602566984 400498462 /nfs/dbraw/zinc/49/84/62/400498462.db2.gz GRSWXVRZFWSDPA-VIFPVBQESA-N 1 0 311.288 3.404 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCC(F)(F)C3)nc2c1 ZINC000602566977 400498504 /nfs/dbraw/zinc/49/85/04/400498504.db2.gz GRSWXVRZFWSDPA-SECBINFHSA-N 1 0 311.288 3.404 20 5 DGBDRO CCCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000046602872 400571211 /nfs/dbraw/zinc/57/12/11/400571211.db2.gz YFDWYSZPYWTWSM-UHFFFAOYSA-N 1 0 306.362 3.226 20 5 DGBDRO CC[C@@H]1c2ccccc2CC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602788104 400574719 /nfs/dbraw/zinc/57/47/19/400574719.db2.gz ROYQOYNQOBPXQQ-MRXNPFEDSA-N 1 0 314.389 3.109 20 5 DGBDRO CC[C@@H](C)c1nnc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000602629840 400517813 /nfs/dbraw/zinc/51/78/13/400517813.db2.gz JNLYQQDIWXXQMW-NEPJUHHUSA-N 1 0 317.393 3.120 20 5 DGBDRO COCC1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602690468 400539632 /nfs/dbraw/zinc/53/96/32/400539632.db2.gz NILWTGBWBLENLY-UHFFFAOYSA-N 1 0 319.361 3.031 20 5 DGBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000602690938 400540776 /nfs/dbraw/zinc/54/07/76/400540776.db2.gz SIDZEOCKMTUFAT-CABZTGNLSA-N 1 0 318.295 3.271 20 5 DGBDRO COCC[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602698500 400544156 /nfs/dbraw/zinc/54/41/56/400544156.db2.gz VUQXIWOLVRJWRO-JTQLQIEISA-N 1 0 320.311 3.376 20 5 DGBDRO CC(C)(C)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591741095 400553836 /nfs/dbraw/zinc/55/38/36/400553836.db2.gz ZYEXCLSYBCUPEI-UHFFFAOYSA-N 1 0 307.394 3.339 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406600 400613904 /nfs/dbraw/zinc/61/39/04/400613904.db2.gz JGCRKFKZFAHKGZ-NSHDSACASA-N 1 0 302.334 3.019 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000618573916 400627598 /nfs/dbraw/zinc/62/75/98/400627598.db2.gz JIXSGBPBFUBGDJ-QEORTHHSSA-N 1 0 304.390 3.377 20 5 DGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357208 400637619 /nfs/dbraw/zinc/63/76/19/400637619.db2.gz UWMOXTFIHZBWLC-GXTWGEPZSA-N 1 0 316.361 3.139 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000597211681 400589449 /nfs/dbraw/zinc/58/94/49/400589449.db2.gz NOAGNAMSLIWNJJ-PBHICJAKSA-N 1 0 304.390 3.187 20 5 DGBDRO CC(C)(CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000136081051 400590028 /nfs/dbraw/zinc/59/00/28/400590028.db2.gz PKQUXKINPJWJRQ-UHFFFAOYSA-N 1 0 320.414 3.431 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CO)cc1 ZINC000592392866 400643865 /nfs/dbraw/zinc/64/38/65/400643865.db2.gz AWVTWHZSQJJLMI-CQSZACIVSA-N 1 0 314.385 3.198 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccon2)CC1 ZINC000597230876 400594111 /nfs/dbraw/zinc/59/41/11/400594111.db2.gz ZWNPJBMCPOPHRN-UHFFFAOYSA-N 1 0 301.346 3.271 20 5 DGBDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000597242822 400598484 /nfs/dbraw/zinc/59/84/84/400598484.db2.gz WVOVTOVXHAAKRI-NVXWUHKLSA-N 1 0 320.389 3.115 20 5 DGBDRO O=[N+]([O-])c1cc2c(nc1NCc1ccc3c(c1)C[NH2+]C3)CCCC2 ZINC000592466427 400655177 /nfs/dbraw/zinc/65/51/77/400655177.db2.gz HKDJYCVRKHIOES-UHFFFAOYSA-N 1 0 324.384 3.084 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000603250704 400660782 /nfs/dbraw/zinc/66/07/82/400660782.db2.gz LEVSAIWTXJCNFI-XHDPSFHLSA-N 1 0 317.393 3.150 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000076799062 400672564 /nfs/dbraw/zinc/67/25/64/400672564.db2.gz NAPWETYAGQGXEV-OKILXGFUSA-N 1 0 306.410 3.160 20 5 DGBDRO CC(C)CC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000076794537 400673129 /nfs/dbraw/zinc/67/31/29/400673129.db2.gz FTZKUKQTGATMPK-UHFFFAOYSA-N 1 0 304.350 3.123 20 5 DGBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC12CCCCC2 ZINC000613188901 400669777 /nfs/dbraw/zinc/66/97/77/400669777.db2.gz NCRGTHVMNXMZAO-CQSZACIVSA-N 1 0 306.410 3.084 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCC2CC2)c1 ZINC000076767964 400670534 /nfs/dbraw/zinc/67/05/34/400670534.db2.gz GNXDXKQCMBXMFP-UHFFFAOYSA-N 1 0 300.305 3.476 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000603869647 400727829 /nfs/dbraw/zinc/72/78/29/400727829.db2.gz QJACOIPNRSQUAF-UHFFFAOYSA-N 1 0 311.385 3.307 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000052486041 400733226 /nfs/dbraw/zinc/73/32/26/400733226.db2.gz ONHAZWMGSWZKLH-MRXNPFEDSA-N 1 0 303.337 3.449 20 5 DGBDRO COc1ccc(CNc2cc(C)[nH+]c3ccccc23)cc1[N+](=O)[O-] ZINC000603933376 400734461 /nfs/dbraw/zinc/73/44/61/400734461.db2.gz PPZPOHFAOMJJER-UHFFFAOYSA-N 1 0 323.352 3.494 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@@H](C)CO)CC1 ZINC000593081687 400755656 /nfs/dbraw/zinc/75/56/56/400755656.db2.gz HGYWGQXGBFEONR-KBPBESRZSA-N 1 0 306.406 3.305 20 5 DGBDRO Cc1ccsc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051233685 400697480 /nfs/dbraw/zinc/69/74/80/400697480.db2.gz BAOZFTYSMIPWKC-UHFFFAOYSA-N 1 0 306.387 3.476 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1CNc1cccc(C[NH+](C)C)c1 ZINC000603658815 400706993 /nfs/dbraw/zinc/70/69/93/400706993.db2.gz BWCJKRHMVZLRDC-UHFFFAOYSA-N 1 0 315.373 3.277 20 5 DGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000078506856 400806003 /nfs/dbraw/zinc/80/60/03/400806003.db2.gz HAHZHNPUAOZXLP-AWEZNQCLSA-N 1 0 317.414 3.367 20 5 DGBDRO CC(=O)c1ccc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000078455669 400802045 /nfs/dbraw/zinc/80/20/45/400802045.db2.gz LWWBUQAMCULTEG-HNNXBMFYSA-N 1 0 319.405 3.108 20 5 DGBDRO CN(CC[NH+]1CCCCC1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000593516093 400870214 /nfs/dbraw/zinc/87/02/14/400870214.db2.gz LXRYRJXUOOSDDP-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000358151204 285983849 /nfs/dbraw/zinc/98/38/49/285983849.db2.gz CLCCBKKPNYQSHI-MLGOLLRUSA-N 1 0 318.348 3.427 20 5 DGBDRO COc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000593603244 400879312 /nfs/dbraw/zinc/87/93/12/400879312.db2.gz JURHMJUWABIHJN-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000172579246 400832843 /nfs/dbraw/zinc/83/28/43/400832843.db2.gz WAUZKPJJKOUNHF-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+](CC2CC2)C2CCC2)c2c(c1)COCO2 ZINC000619434465 400848246 /nfs/dbraw/zinc/84/82/46/400848246.db2.gz DXRIIEPWWGTJEY-UHFFFAOYSA-N 1 0 318.373 3.226 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000599060023 400942818 /nfs/dbraw/zinc/94/28/18/400942818.db2.gz LJJWCVFGSJZUNF-UGSOOPFHSA-N 1 0 312.369 3.387 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCCOC1)CCC2 ZINC000599057354 400943139 /nfs/dbraw/zinc/94/31/39/400943139.db2.gz MWVYCILUKOYNSK-DYVFJYSZSA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@@H]1C[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])[C@H](C)O1 ZINC000599086660 400955737 /nfs/dbraw/zinc/95/57/37/400955737.db2.gz RMNGEVSOTGERHE-NTZNESFSSA-N 1 0 301.346 3.368 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@H]1CO ZINC000594015219 400949273 /nfs/dbraw/zinc/94/92/73/400949273.db2.gz XXKTUVBWBBQUKE-INIZCTEOSA-N 1 0 322.405 3.119 20 5 DGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599072184 400951003 /nfs/dbraw/zinc/95/10/03/400951003.db2.gz DSEPWLDVKHLUQT-OIISXLGYSA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073956 400951807 /nfs/dbraw/zinc/95/18/07/400951807.db2.gz ODQQIYYFMPAQIX-DYVFJYSZSA-N 1 0 303.406 3.262 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)COCC2CC2)cc1[N+](=O)[O-] ZINC000593718142 400899371 /nfs/dbraw/zinc/89/93/71/400899371.db2.gz LOIVDGWWVIEQCH-STQMWFEESA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599074486 400952262 /nfs/dbraw/zinc/95/22/62/400952262.db2.gz MTZCLWIGNZOTLV-RBUCKAEESA-N 1 0 306.406 3.317 20 5 DGBDRO CO[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[C@@H]1C ZINC000599074241 400952352 /nfs/dbraw/zinc/95/23/52/400952352.db2.gz VFSBHDPHIIDZBZ-NHYWBVRUSA-N 1 0 301.346 3.004 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccsc1 ZINC000619783831 400906519 /nfs/dbraw/zinc/90/65/19/400906519.db2.gz ZWHUAVGXETVYFQ-LLVKDONJSA-N 1 0 319.386 3.254 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599011025 400926501 /nfs/dbraw/zinc/92/65/01/400926501.db2.gz WNFKOVHANADDFW-VFEYIGKASA-N 1 0 302.374 3.155 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CCCC23CC3)c([N+](=O)[O-])cc1OC ZINC000599016081 400927754 /nfs/dbraw/zinc/92/77/54/400927754.db2.gz JMCSTMZVZMCWQO-ZDUSSCGKSA-N 1 0 320.389 3.282 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599025926 400930986 /nfs/dbraw/zinc/93/09/86/400930986.db2.gz FHFHQMNLUGKKHD-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000198623264 400934125 /nfs/dbraw/zinc/93/41/25/400934125.db2.gz DVRFDGBBDWNDHD-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000599036524 400934554 /nfs/dbraw/zinc/93/45/54/400934554.db2.gz UGWANRCUGIQAMB-ZDUSSCGKSA-N 1 0 319.386 3.097 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000599166384 400983456 /nfs/dbraw/zinc/98/34/56/400983456.db2.gz UTWBJRUXXFWRRS-CQSZACIVSA-N 1 0 304.394 3.035 20 5 DGBDRO CCC[C@@H]([NH2+]CCN(C)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599089850 400957292 /nfs/dbraw/zinc/95/72/92/400957292.db2.gz OUDVLERXZLCAJR-CQSZACIVSA-N 1 0 315.364 3.223 20 5 DGBDRO C[N@@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000599140199 400973566 /nfs/dbraw/zinc/97/35/66/400973566.db2.gz SIWXGPILHOTYMG-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599552648 401075482 /nfs/dbraw/zinc/07/54/82/401075482.db2.gz HNOYIOPBGZYDAE-CVEARBPZSA-N 1 0 322.430 3.334 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(CO)ccc2F)cc1[N+](=O)[O-] ZINC000599352289 401031798 /nfs/dbraw/zinc/03/17/98/401031798.db2.gz AGHCUHZPTDIQIU-GFCCVEGCSA-N 1 0 318.348 3.385 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000599673785 401107444 /nfs/dbraw/zinc/10/74/44/401107444.db2.gz YXIBHSSUZOGZTD-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO COc1cccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594603899 401128448 /nfs/dbraw/zinc/12/84/48/401128448.db2.gz WIQZQZRGXPAYLE-JSGCOSHPSA-N 1 0 305.378 3.032 20 5 DGBDRO C[C@H](O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000594615412 401137594 /nfs/dbraw/zinc/13/75/94/401137594.db2.gz OHRMZYXTTOOGAX-LBPRGKRZSA-N 1 0 316.357 3.200 20 5 DGBDRO COCC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000273298827 401139216 /nfs/dbraw/zinc/13/92/16/401139216.db2.gz NTRXBEXSKYMDHQ-MRXNPFEDSA-N 1 0 318.373 3.406 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000599596133 401088110 /nfs/dbraw/zinc/08/81/10/401088110.db2.gz NHTPYSXJRUPIOR-QGZVFWFLSA-N 1 0 322.405 3.024 20 5 DGBDRO C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594511945 401089635 /nfs/dbraw/zinc/08/96/35/401089635.db2.gz HIYVJYPJOYHSHH-VXGBXAGGSA-N 1 0 308.378 3.223 20 5 DGBDRO Cc1cccc([C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C(C)C)c1 ZINC000599627779 401095282 /nfs/dbraw/zinc/09/52/82/401095282.db2.gz OGHHMTYPEWIMOL-MRXNPFEDSA-N 1 0 302.378 3.087 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594518581 401095440 /nfs/dbraw/zinc/09/54/40/401095440.db2.gz IEWLWTTXXBDXMP-HZPDHXFCSA-N 1 0 323.824 3.355 20 5 DGBDRO C[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594519974 401098241 /nfs/dbraw/zinc/09/82/41/401098241.db2.gz VILCJPYAUXYOBI-JWJUJFCLSA-N 1 0 320.389 3.175 20 5 DGBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCc2ccccc21 ZINC000358272464 286017393 /nfs/dbraw/zinc/01/73/93/286017393.db2.gz YQIXIEMZWADZLG-MRXNPFEDSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000358308144 286027321 /nfs/dbraw/zinc/02/73/21/286027321.db2.gz SIAWTHQSTDFAJO-UHOFOFEASA-N 1 0 304.390 3.073 20 5 DGBDRO CCCn1nccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594941759 401201207 /nfs/dbraw/zinc/20/12/07/401201207.db2.gz UNKJVFJORKDCKZ-CYBMUJFWSA-N 1 0 302.378 3.361 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594957516 401206894 /nfs/dbraw/zinc/20/68/94/401206894.db2.gz SDLKEWURJJLMFZ-LBPRGKRZSA-N 1 0 311.813 3.211 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(CO)CC1 ZINC000594968023 401212562 /nfs/dbraw/zinc/21/25/62/401212562.db2.gz CXXSDUJXSXHQCY-GFCCVEGCSA-N 1 0 316.357 3.105 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000595001103 401224147 /nfs/dbraw/zinc/22/41/47/401224147.db2.gz QKNWIRHQWNIRKW-KBXCAEBGSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000595001106 401224175 /nfs/dbraw/zinc/22/41/75/401224175.db2.gz QKNWIRHQWNIRKW-KDOFPFPSSA-N 1 0 314.385 3.157 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000063309312 401188416 /nfs/dbraw/zinc/18/84/16/401188416.db2.gz OHFVQGVUQNWOCJ-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000090779951 401274233 /nfs/dbraw/zinc/27/42/33/401274233.db2.gz XSVXPXXXXBGGPZ-ACJLOTCBSA-N 1 0 312.369 3.079 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1CCCC1 ZINC000064021314 401226675 /nfs/dbraw/zinc/22/66/75/401226675.db2.gz VAAZYUITOMAOCL-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1ccccc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089580524 401226833 /nfs/dbraw/zinc/22/68/33/401226833.db2.gz AJLANJIZZORECW-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](CC(C)C)[NH+](C)C ZINC000595005950 401227142 /nfs/dbraw/zinc/22/71/42/401227142.db2.gz CBTRJONRLKXPOU-ZFWWWQNUSA-N 1 0 323.437 3.230 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1csc(C)n1 ZINC000595007284 401228154 /nfs/dbraw/zinc/22/81/54/401228154.db2.gz LZPKMZMFELEVEC-JTQLQIEISA-N 1 0 321.402 3.262 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)CCCO ZINC000595015900 401232084 /nfs/dbraw/zinc/23/20/84/401232084.db2.gz VPLNOJKCEMZUBJ-LBPRGKRZSA-N 1 0 310.394 3.053 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CCSCC1 ZINC000595014453 401232322 /nfs/dbraw/zinc/23/23/22/401232322.db2.gz AJDBWXCNINNTJP-NSHDSACASA-N 1 0 310.419 3.397 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](OC)C(C)(C)C ZINC000595015029 401232990 /nfs/dbraw/zinc/23/29/90/401232990.db2.gz WOJZXCCIFHPLGF-IAQYHMDHSA-N 1 0 310.394 3.315 20 5 DGBDRO COCCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595021686 401235176 /nfs/dbraw/zinc/23/51/76/401235176.db2.gz DXGQYBQZXBJBOD-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)CC(C)(C)C ZINC000595020878 401235963 /nfs/dbraw/zinc/23/59/63/401235963.db2.gz AXBZUPLXCCNEMP-NWDGAFQWSA-N 1 0 310.394 3.051 20 5 DGBDRO CCC(=O)c1ccc(NCCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000359443648 286309820 /nfs/dbraw/zinc/30/98/20/286309820.db2.gz ROTVLURNHMHAMH-UHFFFAOYSA-N 1 0 307.394 3.330 20 5 DGBDRO CCC(=O)c1ccc(NCC[N@@H+](CC)C2CC2)c([N+](=O)[O-])c1 ZINC000359479329 286316976 /nfs/dbraw/zinc/31/69/76/286316976.db2.gz DFWKAVUYHYXZNQ-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000408213638 292295461 /nfs/dbraw/zinc/29/54/61/292295461.db2.gz CQCRODWGHPUESX-CQSZACIVSA-N 1 0 304.390 3.467 20 5 DGBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000361029782 286580950 /nfs/dbraw/zinc/58/09/50/286580950.db2.gz IXARMVFYIXCWSP-NEPJUHHUSA-N 1 0 304.346 3.104 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@@H]3C=CCCCCC3)CC2)n1 ZINC000407993522 165941791 /nfs/dbraw/zinc/94/17/91/165941791.db2.gz PJNYUBHQOPVHNO-CQSZACIVSA-N 1 0 304.394 3.317 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(C3CC3)CCOCC2)c1 ZINC000364041292 286983015 /nfs/dbraw/zinc/98/30/15/286983015.db2.gz LFBDPIAIKQRGML-UHFFFAOYSA-N 1 0 310.781 3.297 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000364395348 287021799 /nfs/dbraw/zinc/02/17/99/287021799.db2.gz WTOPUPPNKNRGAO-DANNLKNASA-N 1 0 304.390 3.449 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000166849878 164603756 /nfs/dbraw/zinc/60/37/56/164603756.db2.gz OESQAEFDNWNXLO-SECBINFHSA-N 1 0 303.284 3.168 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000178757047 164846481 /nfs/dbraw/zinc/84/64/81/164846481.db2.gz ZBOXKDAJAOUGGW-LBPRGKRZSA-N 1 0 308.378 3.286 20 5 DGBDRO CN1Cc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000193596456 165328830 /nfs/dbraw/zinc/32/88/30/165328830.db2.gz XSFABAJHHPXQQY-UHFFFAOYSA-N 1 0 312.329 3.184 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1[N+](=O)[O-] ZINC000269052413 432151915 /nfs/dbraw/zinc/15/19/15/432151915.db2.gz IKUIHBBHCORULW-JBBXEZCESA-N 1 0 312.369 3.212 20 5 DGBDRO C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[C@@H]1[NH3+] ZINC000269244467 432155448 /nfs/dbraw/zinc/15/54/48/432155448.db2.gz DJAJVHUUMIMVCT-ACJLOTCBSA-N 1 0 319.408 3.197 20 5 DGBDRO CCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000171679741 432159352 /nfs/dbraw/zinc/15/93/52/432159352.db2.gz NLZLKVCUTFZPAY-UHFFFAOYSA-N 1 0 302.334 3.019 20 5 DGBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000171954650 432185671 /nfs/dbraw/zinc/18/56/71/432185671.db2.gz LVTAAUSMSWVAGX-AWEZNQCLSA-N 1 0 319.408 3.070 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000171949195 432186195 /nfs/dbraw/zinc/18/61/95/432186195.db2.gz DLXWFJWLHUQHJQ-GFCCVEGCSA-N 1 0 307.394 3.210 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000130437865 196084195 /nfs/dbraw/zinc/08/41/95/196084195.db2.gz KKXWBGBGTNOHQT-RISCZKNCSA-N 1 0 323.368 3.231 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000269705729 432200841 /nfs/dbraw/zinc/20/08/41/432200841.db2.gz NKEJBVBNCGTYKV-MGPLVRAMSA-N 1 0 322.311 3.257 20 5 DGBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1 ZINC000182584635 432206460 /nfs/dbraw/zinc/20/64/60/432206460.db2.gz KMUUSZHFOIYCDI-ZDUSSCGKSA-N 1 0 308.769 3.186 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000132067386 196223781 /nfs/dbraw/zinc/22/37/81/196223781.db2.gz JYFOBSNXMOCCCY-RHSMWYFYSA-N 1 0 314.385 3.157 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000151046296 196622472 /nfs/dbraw/zinc/62/24/72/196622472.db2.gz FUWUAJJGJXUHEG-LLVKDONJSA-N 1 0 321.764 3.373 20 5 DGBDRO Cc1cc(N[C@H]2CC[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000295886525 225347704 /nfs/dbraw/zinc/34/77/04/225347704.db2.gz BEUSJFYHMKQWPA-NEPJUHHUSA-N 1 0 301.346 3.024 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000290362774 221600525 /nfs/dbraw/zinc/60/05/25/221600525.db2.gz QUYSYJIYIRLJKT-OGHNNQOOSA-N 1 0 300.358 3.368 20 5 DGBDRO Cc1ccc([C@@H](C)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000171141352 228269936 /nfs/dbraw/zinc/26/99/36/228269936.db2.gz VUFBPXBNKHYFDX-UKRRQHHQSA-N 1 0 305.422 3.286 20 5 DGBDRO Cc1cc(NC[C@](C)(O)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181503780 228362661 /nfs/dbraw/zinc/36/26/61/228362661.db2.gz RIQMGDNKQUBHBQ-INIZCTEOSA-N 1 0 303.362 3.270 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C)C1 ZINC000299666195 229315698 /nfs/dbraw/zinc/31/56/98/229315698.db2.gz RFWHXCPHCCOGRC-QWRGUYRKSA-N 1 0 302.334 3.048 20 5 DGBDRO Cc1cc(N(C)C[C@H]2CCC[C@H]2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302056619 230069073 /nfs/dbraw/zinc/06/90/73/230069073.db2.gz AXGMEGNWSVFRGB-SJKOYZFVSA-N 1 0 315.373 3.049 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413174538 230145379 /nfs/dbraw/zinc/14/53/79/230145379.db2.gz QGDYAYVWFICQFD-KBPBESRZSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@H]1C[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000413187545 230149990 /nfs/dbraw/zinc/14/99/90/230149990.db2.gz RNKICHPOAWDGQB-AAEUAGOBSA-N 1 0 312.373 3.180 20 5 DGBDRO CN(CCC[NH+](C)C)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000302348128 230221232 /nfs/dbraw/zinc/22/12/32/230221232.db2.gz CSRAGKITITULLF-UHFFFAOYSA-N 1 0 306.193 3.290 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC3(CCCCC3)CC2)n1 ZINC000346685470 264079269 /nfs/dbraw/zinc/07/92/69/264079269.db2.gz SJANGUASOODIQF-UHFFFAOYSA-N 1 0 306.410 3.228 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000346785445 264096912 /nfs/dbraw/zinc/09/69/12/264096912.db2.gz CMJKFZSTSYWRKQ-GUTXKFCHSA-N 1 0 321.421 3.127 20 5 DGBDRO C[NH2+]C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000347017335 264140822 /nfs/dbraw/zinc/14/08/22/264140822.db2.gz DKGSDIMLVJRIDD-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)[NH2+]1 ZINC000347197736 264174089 /nfs/dbraw/zinc/17/40/89/264174089.db2.gz IAZXGFSWYNOCQW-BETUJISGSA-N 1 0 315.373 3.037 20 5 DGBDRO CC(C)SCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000348330806 264391862 /nfs/dbraw/zinc/39/18/62/264391862.db2.gz IBACXWVHLQJQJP-OLZOCXBDSA-N 1 0 312.439 3.006 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)CCC2 ZINC000348640843 264434359 /nfs/dbraw/zinc/43/43/59/264434359.db2.gz JZCBCZXAWUAIOX-PMUMKWKESA-N 1 0 318.417 3.361 20 5 DGBDRO C[NH+](C)CC1(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCCC1 ZINC000352177413 264955645 /nfs/dbraw/zinc/95/56/45/264955645.db2.gz BKBUVRWLWLPXOB-UHFFFAOYSA-N 1 0 323.368 3.185 20 5 DGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352366249 265018021 /nfs/dbraw/zinc/01/80/21/265018021.db2.gz CNXVUCSOBBZTIV-ABAIWWIYSA-N 1 0 312.373 3.038 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000352799403 265171223 /nfs/dbraw/zinc/17/12/23/265171223.db2.gz YGRJZVQYDWXAGV-SMDDNHRTSA-N 1 0 310.419 3.223 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CSC[C@H]1C ZINC000352799398 265171408 /nfs/dbraw/zinc/17/14/08/265171408.db2.gz YGRJZVQYDWXAGV-BXUZGUMPSA-N 1 0 310.419 3.223 20 5 DGBDRO CCCN(CC[NH+]1CCCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000352882498 265213660 /nfs/dbraw/zinc/21/36/60/265213660.db2.gz HNUODCZPZZAEAL-UHFFFAOYSA-N 1 0 309.385 3.042 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353031571 265272736 /nfs/dbraw/zinc/27/27/36/265272736.db2.gz VTGVRHHFBHXRBB-WDEREUQCSA-N 1 0 300.305 3.217 20 5 DGBDRO CCCN(CC[NH+]1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000353146757 265316570 /nfs/dbraw/zinc/31/65/70/265316570.db2.gz MYZHLTGWVKQWPW-UHFFFAOYSA-N 1 0 305.422 3.293 20 5 DGBDRO CCC[NH+](CCC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000355491184 266092443 /nfs/dbraw/zinc/09/24/43/266092443.db2.gz MNSOZATUYYDVHJ-GFCCVEGCSA-N 1 0 323.393 3.052 20 5 DGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc2cccc(F)c2o1 ZINC000355768019 266177049 /nfs/dbraw/zinc/17/70/49/266177049.db2.gz GDHVKHFIPLJCKQ-JTQLQIEISA-N 1 0 318.308 3.027 20 5 DGBDRO Cc1cccc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000355870649 266213335 /nfs/dbraw/zinc/21/33/35/266213335.db2.gz CKTYIHYKHAESCK-UHFFFAOYSA-N 1 0 321.421 3.094 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([NH2+]C(C)C)CC1 ZINC000182869655 432236171 /nfs/dbraw/zinc/23/61/71/432236171.db2.gz HCHRDNUOZGXEKA-AWEZNQCLSA-N 1 0 305.422 3.427 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1C ZINC000172863308 432240866 /nfs/dbraw/zinc/24/08/66/432240866.db2.gz IIURCGCEVILPDR-VXGBXAGGSA-N 1 0 306.362 3.082 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCCn1ccnc1 ZINC000182970475 432246441 /nfs/dbraw/zinc/24/64/41/432246441.db2.gz AFKYWZZEMMEIAI-CQSZACIVSA-N 1 0 302.378 3.183 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191308369 432248586 /nfs/dbraw/zinc/24/85/86/432248586.db2.gz VCQLFFKEYWYJJB-RISCZKNCSA-N 1 0 305.378 3.090 20 5 DGBDRO Cc1cc(NC[C@H](C)[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359886307 271009827 /nfs/dbraw/zinc/00/98/27/271009827.db2.gz ZOKSSQNLXZEMQR-VIFPVBQESA-N 1 0 305.300 3.284 20 5 DGBDRO CC[NH+](CC)[C@@H](C)CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000359894125 271011772 /nfs/dbraw/zinc/01/17/72/271011772.db2.gz BYYILMQSXIIJDV-VIFPVBQESA-N 1 0 320.315 3.151 20 5 DGBDRO C[N@@H+]1CCCC12CCN(c1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000367935936 271100235 /nfs/dbraw/zinc/10/02/35/271100235.db2.gz QYKMDHSKKYPYRC-UHFFFAOYSA-N 1 0 309.797 3.313 20 5 DGBDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183051552 432253326 /nfs/dbraw/zinc/25/33/26/432253326.db2.gz XDLWQRQCCSFYNH-VHSXEESVSA-N 1 0 313.785 3.211 20 5 DGBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433083985 274065784 /nfs/dbraw/zinc/06/57/84/274065784.db2.gz PRZXFOSBQPIIMH-NORZTCDRSA-N 1 0 304.390 3.474 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CCC1 ZINC000279811385 274211727 /nfs/dbraw/zinc/21/17/27/274211727.db2.gz ONPQVESVJIDKTE-BBRMVZONSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000302855902 274226452 /nfs/dbraw/zinc/22/64/52/274226452.db2.gz RXCNUQLWUBJTHU-STQMWFEESA-N 1 0 318.421 3.095 20 5 DGBDRO C[C@@H](Cn1cccn1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279129118 274233236 /nfs/dbraw/zinc/23/32/36/274233236.db2.gz QVTRSGJUNIHNDX-LRDDRELGSA-N 1 0 314.389 3.192 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266534348 274278081 /nfs/dbraw/zinc/27/80/81/274278081.db2.gz NGAKHMFSJFXASB-LSDHHAIUSA-N 1 0 303.406 3.074 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332159282 274286988 /nfs/dbraw/zinc/28/69/88/274286988.db2.gz KIKBSDVKIKMPEV-ABAIWWIYSA-N 1 0 302.378 3.482 20 5 DGBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000277872643 274380102 /nfs/dbraw/zinc/38/01/02/274380102.db2.gz NMRJFFROOABLMZ-CXAGYDPISA-N 1 0 323.392 3.461 20 5 DGBDRO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000420190688 274591602 /nfs/dbraw/zinc/59/16/02/274591602.db2.gz QWVWNVWGRGRSQP-XVKPBYJWSA-N 1 0 304.177 3.075 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000322187710 275035201 /nfs/dbraw/zinc/03/52/01/275035201.db2.gz ISEQKXBMZZDLHW-OAHLLOKOSA-N 1 0 312.369 3.293 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)CCCC2 ZINC000417335117 275038486 /nfs/dbraw/zinc/03/84/86/275038486.db2.gz SGFSOXCYLZGYSQ-XGWLTEMNSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000492290933 275039328 /nfs/dbraw/zinc/03/93/28/275039328.db2.gz HICTYTWPJGKLQQ-CYBMUJFWSA-N 1 0 324.808 3.497 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000492299378 275039337 /nfs/dbraw/zinc/03/93/37/275039337.db2.gz ZUZPGOHTXPLAGP-NEPJUHHUSA-N 1 0 310.781 3.107 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000493332964 275039425 /nfs/dbraw/zinc/03/94/25/275039425.db2.gz DONHXGNXGNEXCE-SMDDNHRTSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186435772 275039895 /nfs/dbraw/zinc/03/98/95/275039895.db2.gz QRBYITFSBAHRSB-GOSISDBHSA-N 1 0 310.353 3.226 20 5 DGBDRO O[C@@]1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CCOC1 ZINC000270012970 275056135 /nfs/dbraw/zinc/05/61/35/275056135.db2.gz UVMQHUIMRPODAU-HXUWFJFHSA-N 1 0 307.393 3.234 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@]2(C)CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433297777 275868537 /nfs/dbraw/zinc/86/85/37/275868537.db2.gz MFTUPJPWTCOGAS-RDJZCZTQSA-N 1 0 304.390 3.476 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000344311166 276053612 /nfs/dbraw/zinc/05/36/12/276053612.db2.gz WQGDFGRDDZAURB-CZUORRHYSA-N 1 0 305.422 3.291 20 5 DGBDRO CC[NH+](CC)CCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000492583878 276096161 /nfs/dbraw/zinc/09/61/61/276096161.db2.gz RQQBOJOVILYEDK-UHFFFAOYSA-N 1 0 305.422 3.291 20 5 DGBDRO CC[NH+](CC)CCSc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278325711 276101716 /nfs/dbraw/zinc/10/17/16/276101716.db2.gz IABMHVXIAYMRCF-UHFFFAOYSA-N 1 0 323.340 3.443 20 5 DGBDRO CCN1CCCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447532248 276160894 /nfs/dbraw/zinc/16/08/94/276160894.db2.gz VFSOZQJNNGINQB-FUHWJXTLSA-N 1 0 317.433 3.436 20 5 DGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449762512 276337238 /nfs/dbraw/zinc/33/72/38/276337238.db2.gz ITQXHXDOQOICTA-FRFSOERESA-N 1 0 306.406 3.463 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000166623538 276440466 /nfs/dbraw/zinc/44/04/66/276440466.db2.gz ZQFWVUOKDVKOKE-FGTMMUONSA-N 1 0 312.369 3.294 20 5 DGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414197886 276595135 /nfs/dbraw/zinc/59/51/35/276595135.db2.gz CEBLQVFKXYKPAE-ZDRJDWQYSA-N 1 0 318.417 3.463 20 5 DGBDRO CC[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000302142707 276627963 /nfs/dbraw/zinc/62/79/63/276627963.db2.gz FWWFOFXILUWPDE-JSGCOSHPSA-N 1 0 315.373 3.455 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCC1 ZINC000453363711 276629054 /nfs/dbraw/zinc/62/90/54/276629054.db2.gz BXAABJYWPRYERA-HIFRSBDPSA-N 1 0 324.446 3.216 20 5 DGBDRO CC[NH+]1CCC(CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000616057558 430583470 /nfs/dbraw/zinc/58/34/70/430583470.db2.gz AMASVVPPAKKWAK-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@@H]([NH2+]CCN1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000447560794 278347136 /nfs/dbraw/zinc/34/71/36/278347136.db2.gz ASBQAJOIBFRFLZ-CQSZACIVSA-N 1 0 305.422 3.367 20 5 DGBDRO C[C@@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153783474 278384715 /nfs/dbraw/zinc/38/47/15/278384715.db2.gz ZBMBGYLRLWBHRN-HIFRSBDPSA-N 1 0 303.406 3.262 20 5 DGBDRO CC(C)(O)C(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453384591 278636832 /nfs/dbraw/zinc/63/68/32/278636832.db2.gz ZWSJZQAPEJCAMV-HNNXBMFYSA-N 1 0 320.433 3.303 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000449345538 279381825 /nfs/dbraw/zinc/38/18/25/279381825.db2.gz WHIBVSALNCIBAK-PBHICJAKSA-N 1 0 320.433 3.304 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000068828804 431144912 /nfs/dbraw/zinc/14/49/12/431144912.db2.gz NVSNJGKXUFGWNT-LBPRGKRZSA-N 1 0 316.361 3.267 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000069055568 431156093 /nfs/dbraw/zinc/15/60/93/431156093.db2.gz LOPKSPHJLLTQDH-YIYPIFLZSA-N 1 0 319.405 3.336 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000111255296 431204488 /nfs/dbraw/zinc/20/44/88/431204488.db2.gz OALMKWRFMLBHCI-LLVKDONJSA-N 1 0 304.350 3.123 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1CCC1 ZINC000111297997 431207240 /nfs/dbraw/zinc/20/72/40/431207240.db2.gz NBMVEKLSFXBFOH-NSHDSACASA-N 1 0 316.361 3.438 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000131038572 279517032 /nfs/dbraw/zinc/51/70/32/279517032.db2.gz VEGSTGZMLNHVNU-JGGQBBKZSA-N 1 0 322.430 3.300 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000071954206 431322049 /nfs/dbraw/zinc/32/20/49/431322049.db2.gz HJMLYVYMTYGLNI-RYUDHWBXSA-N 1 0 322.365 3.035 20 5 DGBDRO COCC[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113332166 431343147 /nfs/dbraw/zinc/34/31/47/431343147.db2.gz NCYGRCZCMFKBJP-LLVKDONJSA-N 1 0 321.402 3.233 20 5 DGBDRO CC[C@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000075999234 431515194 /nfs/dbraw/zinc/51/51/94/431515194.db2.gz HTOONKAUOAFYNF-QGZVFWFLSA-N 1 0 320.389 3.473 20 5 DGBDRO CCCC[N@H+](CC)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335002 431556231 /nfs/dbraw/zinc/55/62/31/431556231.db2.gz IZKWOVJMJOXMFM-UHFFFAOYSA-N 1 0 321.377 3.015 20 5 DGBDRO CCC[NH+](CCC)CCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000076225075 431535272 /nfs/dbraw/zinc/53/52/72/431535272.db2.gz YYGRPEFFRIWAQJ-UHFFFAOYSA-N 1 0 321.421 3.145 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000077171100 431570966 /nfs/dbraw/zinc/57/09/66/431570966.db2.gz IRFHLZKSCMKEJS-MRXNPFEDSA-N 1 0 301.346 3.139 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@H]1CCCCO1)C1CC1 ZINC000180262376 280374318 /nfs/dbraw/zinc/37/43/18/280374318.db2.gz ZXYUQWIYRGLZKW-IAGOWNOFSA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078270866 431652772 /nfs/dbraw/zinc/65/27/72/431652772.db2.gz OXLPQSIUNBVLTJ-XUJVJEKNSA-N 1 0 305.378 3.090 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000119272328 431666851 /nfs/dbraw/zinc/66/68/51/431666851.db2.gz LSUADUSWCCNKRN-HOTGVXAUSA-N 1 0 318.417 3.463 20 5 DGBDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000026469770 431676066 /nfs/dbraw/zinc/67/60/66/431676066.db2.gz OTOKBEQAUUECMH-WFASDCNBSA-N 1 0 320.389 3.472 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C)c1ccco1 ZINC000078612987 431688656 /nfs/dbraw/zinc/68/86/56/431688656.db2.gz MSXHSCBQXXVMHJ-AWEZNQCLSA-N 1 0 318.377 3.386 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000122317820 431826404 /nfs/dbraw/zinc/82/64/04/431826404.db2.gz MGUISCDWECGKNI-SWLSCSKDSA-N 1 0 314.389 3.365 20 5 DGBDRO C[C@H]1CCC[C@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000125307036 431921135 /nfs/dbraw/zinc/92/11/35/431921135.db2.gz VLVFULDLZPRVOG-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000089728397 431876261 /nfs/dbraw/zinc/87/62/61/431876261.db2.gz ZBDSDNHNVTYFCP-HZPDHXFCSA-N 1 0 319.405 3.035 20 5 DGBDRO Cc1cnc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000124269694 431887899 /nfs/dbraw/zinc/88/78/99/431887899.db2.gz IHEOITAHBUIGQJ-LLVKDONJSA-N 1 0 307.375 3.089 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC(CC)(CC)CO)cc1[N+](=O)[O-] ZINC000090800946 431894760 /nfs/dbraw/zinc/89/47/60/431894760.db2.gz FSYAVJVRMBORIU-CYBMUJFWSA-N 1 0 324.421 3.443 20 5 DGBDRO CCC(CC)(CO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090800876 431895356 /nfs/dbraw/zinc/89/53/56/431895356.db2.gz DUMJBCUQTRXQCG-MRXNPFEDSA-N 1 0 320.433 3.304 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(N(C)C)n2)cccc1[N+](=O)[O-] ZINC000090851237 431896516 /nfs/dbraw/zinc/89/65/16/431896516.db2.gz QRLCCEHFTOBXBB-CYBMUJFWSA-N 1 0 314.389 3.215 20 5 DGBDRO C[C@H](CC[NH+](C)C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000049558728 431941664 /nfs/dbraw/zinc/94/16/64/431941664.db2.gz JCJBTRHTDSSMAD-SECBINFHSA-N 1 0 305.300 3.366 20 5 DGBDRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174882001 281004010 /nfs/dbraw/zinc/00/40/10/281004010.db2.gz DDHWJIXXUJFYLQ-SWLSCSKDSA-N 1 0 318.377 3.166 20 5 DGBDRO C[NH+](C)CC1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000128106279 431987772 /nfs/dbraw/zinc/98/77/72/431987772.db2.gz PZRKIVGUXKLMTB-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO Cc1cccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000275414891 281226625 /nfs/dbraw/zinc/22/66/25/281226625.db2.gz GRTPFCXUKOTHRL-HNNXBMFYSA-N 1 0 303.406 3.358 20 5 DGBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492002018 288311340 /nfs/dbraw/zinc/31/13/40/288311340.db2.gz RIFZHMALXOGCFC-QWHCGFSZSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1ccccc1[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000091399935 281385783 /nfs/dbraw/zinc/38/57/83/281385783.db2.gz DZHOKEFZWFINEP-MRXNPFEDSA-N 1 0 302.378 3.087 20 5 DGBDRO CCCn1ccnc1CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000191501405 432271315 /nfs/dbraw/zinc/27/13/15/432271315.db2.gz VIBLAJSAQFQHIK-UHFFFAOYSA-N 1 0 316.405 3.266 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000248168628 432273456 /nfs/dbraw/zinc/27/34/56/432273456.db2.gz UHDRPCBPZSCTKJ-ZCDTZLGTSA-N 1 0 304.390 3.367 20 5 DGBDRO CCOC(=O)CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270719455 432280198 /nfs/dbraw/zinc/28/01/98/432280198.db2.gz DDERFZAMQOPJAN-UHFFFAOYSA-N 1 0 320.389 3.293 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000183346266 432285151 /nfs/dbraw/zinc/28/51/51/432285151.db2.gz TXKSXGMOZVQGGA-DJIMGWMZSA-N 1 0 318.417 3.465 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000248439128 432292052 /nfs/dbraw/zinc/29/20/52/432292052.db2.gz UBIQHOLNJAJIGU-CZUORRHYSA-N 1 0 323.824 3.164 20 5 DGBDRO Cc1ccnc(N2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000301295182 281458078 /nfs/dbraw/zinc/45/80/78/281458078.db2.gz OZLFYTRLXSCVGO-UHFFFAOYSA-N 1 0 318.421 3.001 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN(c2cccc(OCC)c2[N+](=O)[O-])C1 ZINC000183153254 432263013 /nfs/dbraw/zinc/26/30/13/432263013.db2.gz DBYVJMYYUFRMKN-CQSZACIVSA-N 1 0 321.421 3.162 20 5 DGBDRO CC[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000271017681 432316674 /nfs/dbraw/zinc/31/66/74/432316674.db2.gz RVSJXKXXJMUGRW-UHFFFAOYSA-N 1 0 324.764 3.322 20 5 DGBDRO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829340 432323013 /nfs/dbraw/zinc/32/30/13/432323013.db2.gz GZXPFINDAJCZQM-JEBQAFNWSA-N 1 0 317.433 3.291 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000271148382 432337361 /nfs/dbraw/zinc/33/73/61/432337361.db2.gz PYCIFPWGCUPNHZ-KBPBESRZSA-N 1 0 324.421 3.443 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000249272882 432342268 /nfs/dbraw/zinc/34/22/68/432342268.db2.gz JWOGBERNRVEMKN-QWHCGFSZSA-N 1 0 324.450 3.142 20 5 DGBDRO COC[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000271214535 432355719 /nfs/dbraw/zinc/35/57/19/432355719.db2.gz ZMRZPMMCCOBUBQ-CYBMUJFWSA-N 1 0 316.357 3.323 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCCCCOC)cc1[N+](=O)[O-] ZINC000271192459 432350773 /nfs/dbraw/zinc/35/07/73/432350773.db2.gz XVBIZTBGZBSZOG-ZDUSSCGKSA-N 1 0 310.394 3.461 20 5 DGBDRO CC1(C)CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191849851 432308206 /nfs/dbraw/zinc/30/82/06/432308206.db2.gz UGQXKULOKBFZDT-CQSZACIVSA-N 1 0 305.378 3.092 20 5 DGBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000152168298 432309586 /nfs/dbraw/zinc/30/95/86/432309586.db2.gz PGGYOJZJAAJWDN-MNOVXSKESA-N 1 0 303.362 3.481 20 5 DGBDRO COc1cc(C[N@H+](C)[C@@H](C)CCSC)c([N+](=O)[O-])cc1F ZINC000184261195 432373013 /nfs/dbraw/zinc/37/30/13/432373013.db2.gz CLJKYZJHPFBCNI-JTQLQIEISA-N 1 0 316.398 3.316 20 5 DGBDRO CC[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174810525 432373379 /nfs/dbraw/zinc/37/33/79/432373379.db2.gz WNHSCEBZTIWRTH-AWEZNQCLSA-N 1 0 302.378 3.092 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[N@@H+]1CCCC[C@H]1C ZINC000192499943 432381295 /nfs/dbraw/zinc/38/12/95/432381295.db2.gz BKIJMHBRFBZZKK-CYBMUJFWSA-N 1 0 323.441 3.186 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000192623566 432394261 /nfs/dbraw/zinc/39/42/61/432394261.db2.gz GGUVLHFIKGZQGA-XJKSGUPXSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000184524978 432401443 /nfs/dbraw/zinc/40/14/43/432401443.db2.gz FHPQBHCOHDJUPS-GDBMZVCRSA-N 1 0 318.417 3.058 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000184524946 432401702 /nfs/dbraw/zinc/40/17/02/432401702.db2.gz FHPQBHCOHDJUPS-ZBFHGGJFSA-N 1 0 318.417 3.058 20 5 DGBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1O ZINC000271275988 432366489 /nfs/dbraw/zinc/36/64/89/432366489.db2.gz KUWVLCCKIDJMMN-WBMJQRKESA-N 1 0 316.357 3.058 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C(CC)CC)cc1[N+](=O)[O-] ZINC000153734041 432438204 /nfs/dbraw/zinc/43/82/04/432438204.db2.gz BZAYYYPZIZPREC-LRDDRELGSA-N 1 0 324.421 3.441 20 5 DGBDRO C[C@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153783393 432443618 /nfs/dbraw/zinc/44/36/18/432443618.db2.gz ZBMBGYLRLWBHRN-ZFWWWQNUSA-N 1 0 303.406 3.262 20 5 DGBDRO CC(C)(C)c1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1[N+](=O)[O-] ZINC000261844438 432454030 /nfs/dbraw/zinc/45/40/30/432454030.db2.gz SHQBSGCGQAMJGM-UHFFFAOYSA-N 1 0 316.361 3.280 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2ccncc2)c(F)c1 ZINC000153952933 432459798 /nfs/dbraw/zinc/45/97/98/432459798.db2.gz XJSSPCKABRROMS-INIZCTEOSA-N 1 0 301.321 3.466 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000153942681 432458334 /nfs/dbraw/zinc/45/83/34/432458334.db2.gz KJXSBQSNHDQYSM-XPKDYRNWSA-N 1 0 322.405 3.195 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000271506439 432409724 /nfs/dbraw/zinc/40/97/24/432409724.db2.gz LIVLLMZWKQKHSB-PBHICJAKSA-N 1 0 322.405 3.287 20 5 DGBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000261886923 432458762 /nfs/dbraw/zinc/45/87/62/432458762.db2.gz XATHXDHAKLASTJ-JTQLQIEISA-N 1 0 318.377 3.093 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1Cn1cnc2cc(F)c(F)cc21 ZINC000192832904 432418732 /nfs/dbraw/zinc/41/87/32/432418732.db2.gz VCQUEBFQUMCTTP-UHFFFAOYSA-N 1 0 319.267 3.280 20 5 DGBDRO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000154407322 432495864 /nfs/dbraw/zinc/49/58/64/432495864.db2.gz QZQVFPQAYQJCAT-KKXDTOCCSA-N 1 0 312.369 3.321 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCCC[C@H]2c2ccco2)n1 ZINC000176249701 432503668 /nfs/dbraw/zinc/50/36/68/432503668.db2.gz NZKYXHDKYGIGLQ-ZDUSSCGKSA-N 1 0 304.350 3.002 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000153966690 432461187 /nfs/dbraw/zinc/46/11/87/432461187.db2.gz AJTYVSXIQPUGOF-NEPJUHHUSA-N 1 0 318.377 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000153997711 432462583 /nfs/dbraw/zinc/46/25/83/432462583.db2.gz UEDRZQSMEMQCTA-QGZVFWFLSA-N 1 0 313.357 3.206 20 5 DGBDRO COc1cccc(NC[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000185089382 432465884 /nfs/dbraw/zinc/46/58/84/432465884.db2.gz DASJCBVHDWZFNY-HNNXBMFYSA-N 1 0 315.373 3.318 20 5 DGBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000185113382 432468177 /nfs/dbraw/zinc/46/81/77/432468177.db2.gz KIDYEAHYFJFKCZ-MRXNPFEDSA-N 1 0 320.776 3.246 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)C[NH2+]1 ZINC000262035937 432470344 /nfs/dbraw/zinc/47/03/44/432470344.db2.gz OPRFTPYYVIHKIX-OLZOCXBDSA-N 1 0 315.373 3.037 20 5 DGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000185654888 432521087 /nfs/dbraw/zinc/52/10/87/432521087.db2.gz JPDYNKQDPHMWIL-BXUZGUMPSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000156684717 432604956 /nfs/dbraw/zinc/60/49/56/432604956.db2.gz OCVKNVLJJWPIAJ-COXVUDFISA-N 1 0 318.417 3.463 20 5 DGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000177346170 432614390 /nfs/dbraw/zinc/61/43/90/432614390.db2.gz BBIYYFRUYOTTJD-UHFFFAOYSA-N 1 0 319.386 3.279 20 5 DGBDRO CO[C@H](C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000263790375 432578258 /nfs/dbraw/zinc/57/82/58/432578258.db2.gz HLNCKSLRUIFZME-GFCCVEGCSA-N 1 0 304.346 3.369 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccco1)C1CC1 ZINC000155930421 432581691 /nfs/dbraw/zinc/58/16/91/432581691.db2.gz QZEJWHOQGADPAF-MRXNPFEDSA-N 1 0 300.358 3.341 20 5 DGBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000186666722 432619024 /nfs/dbraw/zinc/61/90/24/432619024.db2.gz PRPHYWWOKRZRJD-SCLBCKFNSA-N 1 0 319.408 3.116 20 5 DGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000195509140 432624739 /nfs/dbraw/zinc/62/47/39/432624739.db2.gz YOSUSOMVZXRMPE-VXGBXAGGSA-N 1 0 312.439 3.221 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000195737223 432634157 /nfs/dbraw/zinc/63/41/57/432634157.db2.gz KOKINJXKWSQXFI-INIZCTEOSA-N 1 0 312.369 3.463 20 5 DGBDRO O=[N+]([O-])c1cccnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000264344611 432638400 /nfs/dbraw/zinc/63/84/00/432638400.db2.gz VZWPDTFSANLXQP-HNNXBMFYSA-N 1 0 318.421 3.082 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000264517689 432654374 /nfs/dbraw/zinc/65/43/74/432654374.db2.gz ZHWKWYLBEOIOEM-AWEZNQCLSA-N 1 0 316.361 3.140 20 5 DGBDRO Cn1c2ccccc2nc1CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000265462176 432701615 /nfs/dbraw/zinc/70/16/15/432701615.db2.gz ACENSUPJSQZRNQ-UHFFFAOYSA-N 1 0 324.384 3.156 20 5 DGBDRO CC(C)(CCCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230147746 432724750 /nfs/dbraw/zinc/72/47/50/432724750.db2.gz XUJFTLRJVIRDIY-UHFFFAOYSA-N 1 0 300.786 3.137 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CO)CCC3)s2)cc1 ZINC000178639139 432761589 /nfs/dbraw/zinc/76/15/89/432761589.db2.gz MQJYSPYKEBQKIM-UHFFFAOYSA-N 1 0 318.398 3.328 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CC)CCOCC1 ZINC000266603533 432769271 /nfs/dbraw/zinc/76/92/71/432769271.db2.gz FGQCLCGNSMESON-UHFFFAOYSA-N 1 0 322.405 3.290 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161399671 432776734 /nfs/dbraw/zinc/77/67/34/432776734.db2.gz YHLXNOOSDSSBPN-CJNGLKHVSA-N 1 0 300.358 3.022 20 5 DGBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(OC)c1 ZINC000237113485 432777633 /nfs/dbraw/zinc/77/76/33/432777633.db2.gz SUQSAGUPGXVPDG-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189351316 432781307 /nfs/dbraw/zinc/78/13/07/432781307.db2.gz BHDMJTMMWGTACL-HOTGVXAUSA-N 1 0 316.357 3.104 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160841904 432746252 /nfs/dbraw/zinc/74/62/52/432746252.db2.gz UKYLNBIYHLIIRM-SNVBAGLBSA-N 1 0 303.284 3.120 20 5 DGBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000267170340 432819199 /nfs/dbraw/zinc/81/91/99/432819199.db2.gz HYCHPDCJZYWHFR-OTYXRUKQSA-N 1 0 310.350 3.007 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000277293884 432835449 /nfs/dbraw/zinc/83/54/49/432835449.db2.gz RLDSFPODLKRWPS-SWLSCSKDSA-N 1 0 310.419 3.223 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266786988 432788567 /nfs/dbraw/zinc/78/85/67/432788567.db2.gz OKSIEDGBWKWHMA-YOEHRIQHSA-N 1 0 314.385 3.412 20 5 DGBDRO C[C@@H]([NH2+]CCc1nc2ccccc2n1C)c1cccc([N+](=O)[O-])c1 ZINC000266790663 432788835 /nfs/dbraw/zinc/78/88/35/432788835.db2.gz PCKKUNOFFHLPEP-CYBMUJFWSA-N 1 0 324.384 3.375 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCC(O)CC2)o1 ZINC000238148708 432814064 /nfs/dbraw/zinc/81/40/64/432814064.db2.gz UOKHKFAPCQWRAV-UHFFFAOYSA-N 1 0 316.357 3.248 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000245911088 432869124 /nfs/dbraw/zinc/86/91/24/432869124.db2.gz MMXDOJPTDYIMFV-NWDGAFQWSA-N 1 0 316.361 3.123 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000268434422 432872032 /nfs/dbraw/zinc/87/20/32/432872032.db2.gz DQGJTRLXDIHRAS-ZDUSSCGKSA-N 1 0 320.389 3.131 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000245531611 432840687 /nfs/dbraw/zinc/84/06/87/432840687.db2.gz TZKFFRQCUOWQMY-GJZGRUSLSA-N 1 0 305.422 3.238 20 5 DGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000163172874 432845484 /nfs/dbraw/zinc/84/54/84/432845484.db2.gz XRIASYFWCUPZOH-ZFWWWQNUSA-N 1 0 319.405 3.400 20 5 DGBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163261341 432848198 /nfs/dbraw/zinc/84/81/98/432848198.db2.gz OBFIETVDLMAYKC-GUYCJALGSA-N 1 0 300.358 3.287 20 5 DGBDRO CCn1ccnc1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000296554133 432922322 /nfs/dbraw/zinc/92/23/22/432922322.db2.gz TWWYHTPRTDMZRB-NSHDSACASA-N 1 0 322.796 3.358 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCCC1 ZINC000296733372 432925888 /nfs/dbraw/zinc/92/58/88/432925888.db2.gz OETFSUPWQJMHKS-KBPBESRZSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)cccc1[N+](=O)[O-] ZINC000279055994 432929949 /nfs/dbraw/zinc/92/99/49/432929949.db2.gz YLJFGKBGMIBHCM-KBPBESRZSA-N 1 0 314.389 3.013 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000279135047 432938206 /nfs/dbraw/zinc/93/82/06/432938206.db2.gz RILVGRVOAAOPQX-VUCTXSBTSA-N 1 0 318.417 3.458 20 5 DGBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000331292511 432938442 /nfs/dbraw/zinc/93/84/42/432938442.db2.gz QJKDCMMQJAXRPX-ZETOZRRWSA-N 1 0 312.797 3.230 20 5 DGBDRO Cc1ccsc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331526573 432946343 /nfs/dbraw/zinc/94/63/43/432946343.db2.gz DJVABQCZTZDGQO-CHWSQXEVSA-N 1 0 320.418 3.435 20 5 DGBDRO C[C@@H](CCc1ccco1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278792951 432901450 /nfs/dbraw/zinc/90/14/50/432901450.db2.gz WWRMMBCEBVVUDI-NSHDSACASA-N 1 0 314.345 3.175 20 5 DGBDRO CC1(C)CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000330448583 432910569 /nfs/dbraw/zinc/91/05/69/432910569.db2.gz IPRFTFDTXWYILH-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1C ZINC000279252804 432950164 /nfs/dbraw/zinc/95/01/64/432950164.db2.gz LKCGKQMOYIASHT-RISCZKNCSA-N 1 0 305.378 3.010 20 5 DGBDRO Cc1ccc(C[NH2+]CC[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000289455346 432964315 /nfs/dbraw/zinc/96/43/15/432964315.db2.gz NRLUFCNHPFZLIJ-QGZVFWFLSA-N 1 0 300.358 3.117 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000289668667 432970456 /nfs/dbraw/zinc/97/04/56/432970456.db2.gz JAJLARDJNGTEMD-CYBMUJFWSA-N 1 0 322.409 3.062 20 5 DGBDRO CC1CCN(C(=[NH2+])NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000349552750 432974530 /nfs/dbraw/zinc/97/45/30/432974530.db2.gz PQINJBIRDQYINZ-UHFFFAOYSA-N 1 0 324.812 3.047 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCSC2)cc(C(F)(F)F)c1 ZINC000279517273 432977817 /nfs/dbraw/zinc/97/78/17/432977817.db2.gz NZVYOFXTOWDGGO-JTQLQIEISA-N 1 0 306.309 3.209 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000332335384 432999327 /nfs/dbraw/zinc/99/93/27/432999327.db2.gz MSOHXBQVMJFKKV-QWHCGFSZSA-N 1 0 319.405 3.210 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000289443332 432962730 /nfs/dbraw/zinc/96/27/30/432962730.db2.gz METNCTVWDHQYPB-MRXNPFEDSA-N 1 0 320.776 3.462 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000331947028 432964176 /nfs/dbraw/zinc/96/41/76/432964176.db2.gz KBHVHJUAHFTZRB-JYJNAYRXSA-N 1 0 304.390 3.210 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000332377459 433004131 /nfs/dbraw/zinc/00/41/31/433004131.db2.gz YAQFJSCKOOTCSN-DZGCQCFKSA-N 1 0 314.389 3.269 20 5 DGBDRO CC(C)c1ccc(CN2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000349819289 433016182 /nfs/dbraw/zinc/01/61/82/433016182.db2.gz PCMHTHYOKPCSHS-UHFFFAOYSA-N 1 0 305.422 3.244 20 5 DGBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000349846440 433019450 /nfs/dbraw/zinc/01/94/50/433019450.db2.gz BNKUFFHREGOODZ-PYLYLYNFSA-N 1 0 316.357 3.272 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000280368758 433042073 /nfs/dbraw/zinc/04/20/73/433042073.db2.gz VBGUHWBLLUBYGG-QGZVFWFLSA-N 1 0 322.405 3.385 20 5 DGBDRO Cc1cc(N[C@H](C)Cn2ccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000290453233 433057027 /nfs/dbraw/zinc/05/70/27/433057027.db2.gz DJQJUYWXYHEOFF-GFCCVEGCSA-N 1 0 311.345 3.149 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000301854805 289375091 /nfs/dbraw/zinc/37/50/91/289375091.db2.gz CNACEYPHVIIHGH-AWEZNQCLSA-N 1 0 321.421 3.303 20 5 DGBDRO CC(C)[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000350100674 433078142 /nfs/dbraw/zinc/07/81/42/433078142.db2.gz UGMRKPWBDIXHIU-UHFFFAOYSA-N 1 0 304.346 3.058 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000453335233 433100192 /nfs/dbraw/zinc/10/01/92/433100192.db2.gz DEIYLJWMPHBCQT-JLZZUVOBSA-N 1 0 318.417 3.458 20 5 DGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453332737 433100279 /nfs/dbraw/zinc/10/02/79/433100279.db2.gz VNZVIQAKNRSUOH-GFOCRRMGSA-N 1 0 318.417 3.463 20 5 DGBDRO CN(C)c1ccccc1CNCc1ccc([N+](=O)[O-])cc1F ZINC000350259080 433122591 /nfs/dbraw/zinc/12/25/91/433122591.db2.gz YBTNNTJMMOTTGE-UHFFFAOYSA-N 1 0 303.337 3.090 20 5 DGBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000425255662 433135610 /nfs/dbraw/zinc/13/56/10/433135610.db2.gz NQSRWVXQDNIPOQ-UHFFFAOYSA-N 1 0 319.405 3.110 20 5 DGBDRO CC(=O)c1cc(NC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000341570470 433140098 /nfs/dbraw/zinc/14/00/98/433140098.db2.gz GFYAMOVQZVWHOC-CYBMUJFWSA-N 1 0 319.405 3.331 20 5 DGBDRO [NH3+]C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C1CCCC1 ZINC000420274158 433141191 /nfs/dbraw/zinc/14/11/91/433141191.db2.gz JQROMPUJXMORLK-AWEZNQCLSA-N 1 0 300.362 3.072 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000420294266 433150841 /nfs/dbraw/zinc/15/08/41/433150841.db2.gz YTDWZSDOKGWNMB-NEPJUHHUSA-N 1 0 300.362 3.072 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000350239771 433115835 /nfs/dbraw/zinc/11/58/35/433115835.db2.gz KBRBVUMWASJCTI-ZNMIVQPWSA-N 1 0 303.406 3.436 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)nc2c1 ZINC000446849143 433118854 /nfs/dbraw/zinc/11/88/54/433118854.db2.gz MBVSCMYUFJQNOM-UKRRQHHQSA-N 1 0 322.368 3.364 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCC[C@H]3C3CC3)nc2c1 ZINC000446858089 433119969 /nfs/dbraw/zinc/11/99/69/433119969.db2.gz YNYVWLHVYAVJLA-STQMWFEESA-N 1 0 300.362 3.139 20 5 DGBDRO CC(C)n1nccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000354598142 433174360 /nfs/dbraw/zinc/17/43/60/433174360.db2.gz HXSPMAGBJMKMPA-UHFFFAOYSA-N 1 0 322.796 3.358 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000280798033 433177399 /nfs/dbraw/zinc/17/73/99/433177399.db2.gz VMHIZLPQNQRGLC-HUUCEWRRSA-N 1 0 317.389 3.226 20 5 DGBDRO Cc1c(C[NH+]2CCC([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000374607381 433234371 /nfs/dbraw/zinc/23/43/71/433234371.db2.gz UXKAAVPGTGAKLF-MRXNPFEDSA-N 1 0 304.390 3.152 20 5 DGBDRO CCCC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447583949 433236688 /nfs/dbraw/zinc/23/66/88/433236688.db2.gz CWGKFFGYOCHFOL-KBPBESRZSA-N 1 0 306.410 3.445 20 5 DGBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582845 433236906 /nfs/dbraw/zinc/23/69/06/433236906.db2.gz AAQCRUMFCXMTEX-NXOUGTEYSA-N 1 0 315.417 3.045 20 5 DGBDRO Cc1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000298752666 433237359 /nfs/dbraw/zinc/23/73/59/433237359.db2.gz UYIDUXVLKFZEGQ-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000337594665 433242674 /nfs/dbraw/zinc/24/26/74/433242674.db2.gz OIBVFKBCACNMSQ-BPUTZDHNSA-N 1 0 303.406 3.181 20 5 DGBDRO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000337594667 433244306 /nfs/dbraw/zinc/24/43/06/433244306.db2.gz OIBVFKBCACNMSQ-IMJJTQAJSA-N 1 0 303.406 3.181 20 5 DGBDRO CC(C)[C@H](C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298780308 433244945 /nfs/dbraw/zinc/24/49/45/433244945.db2.gz XIELBYCVXOAGCY-NSHDSACASA-N 1 0 304.350 3.121 20 5 DGBDRO CC(C)(C)CC[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298872631 433267600 /nfs/dbraw/zinc/26/76/00/433267600.db2.gz WJKGGVSRUNCRHQ-UHFFFAOYSA-N 1 0 319.449 3.191 20 5 DGBDRO Cc1c(NC(=O)NC(C)(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000454195667 433318313 /nfs/dbraw/zinc/31/83/13/433318313.db2.gz HSGXYACHHXHTGH-UHFFFAOYSA-N 1 0 322.409 3.145 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447903675 433318859 /nfs/dbraw/zinc/31/88/59/433318859.db2.gz NXRKUCXNKAHXHY-MRXNPFEDSA-N 1 0 305.422 3.113 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2CC2CCCCC2)c1 ZINC000350733317 433270265 /nfs/dbraw/zinc/27/02/65/433270265.db2.gz ZSXYAMKSBQBHIQ-OAHLLOKOSA-N 1 0 306.410 3.226 20 5 DGBDRO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000361678157 433337301 /nfs/dbraw/zinc/33/73/01/433337301.db2.gz MBRIOSOYWBJNCW-OAHLLOKOSA-N 1 0 304.390 3.400 20 5 DGBDRO CC[N@H+](CCC1CC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000355035238 433425368 /nfs/dbraw/zinc/42/53/68/433425368.db2.gz HYNZGHNRQJPNJD-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)C[NH+]1CCCC1 ZINC000301140574 433430410 /nfs/dbraw/zinc/43/04/10/433430410.db2.gz FCJLLVWFFGLRMQ-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000291887337 433382000 /nfs/dbraw/zinc/38/20/00/433382000.db2.gz JFCLXBDLMQPYPM-CVEARBPZSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000351144856 433388981 /nfs/dbraw/zinc/38/89/81/433388981.db2.gz JCELGBCHBONVPG-AEJSXWLSSA-N 1 0 306.322 3.172 20 5 DGBDRO CC1(C)C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000448358959 433390974 /nfs/dbraw/zinc/39/09/74/433390974.db2.gz IXZQLSBAPGLFTP-MRXNPFEDSA-N 1 0 316.357 3.058 20 5 DGBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000301057316 433398474 /nfs/dbraw/zinc/39/84/74/433398474.db2.gz ADBMAGJJPFUVKX-HNNXBMFYSA-N 1 0 306.410 3.158 20 5 DGBDRO Cc1cc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301110273 433416520 /nfs/dbraw/zinc/41/65/20/433416520.db2.gz OPAHWDCYRRTFRM-ZIAGYGMSSA-N 1 0 321.421 3.203 20 5 DGBDRO CC(=O)c1ccc(N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000301111574 433419223 /nfs/dbraw/zinc/41/92/23/433419223.db2.gz YZIYCTHEQCJKCD-LBPRGKRZSA-N 1 0 305.378 3.084 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414147323 433425136 /nfs/dbraw/zinc/42/51/36/433425136.db2.gz QHWRENKSFKVDRF-XHSDSOJGSA-N 1 0 304.390 3.073 20 5 DGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1(O)CCCCCC1 ZINC000426214678 433443485 /nfs/dbraw/zinc/44/34/85/433443485.db2.gz IZBNEGHBLXQYSP-UHFFFAOYSA-N 1 0 306.406 3.154 20 5 DGBDRO COc1cccc2c1C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000414183316 433445253 /nfs/dbraw/zinc/44/52/53/433445253.db2.gz NGKMBAKVSRQRLV-SWLSCSKDSA-N 1 0 312.369 3.421 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[N@H+]1CCCC[C@H]1C ZINC000301184050 433445311 /nfs/dbraw/zinc/44/53/11/433445311.db2.gz JCGBTWGBUFYADN-CQSZACIVSA-N 1 0 306.410 3.365 20 5 DGBDRO CC(C)([NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000292091731 433456920 /nfs/dbraw/zinc/45/69/20/433456920.db2.gz GXEBLZTURXJMJA-HNNXBMFYSA-N 1 0 314.385 3.023 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@]2(C)CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000159202257 292787217 /nfs/dbraw/zinc/78/72/17/292787217.db2.gz CQVSSTUWAZBSLB-JQFCIGGWSA-N 1 0 306.406 3.495 20 5 DGBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1(CO)CCC1 ZINC000292133483 433476337 /nfs/dbraw/zinc/47/63/37/433476337.db2.gz LOZFDZJOYGGJFX-UHFFFAOYSA-N 1 0 319.188 3.248 20 5 DGBDRO Cc1ccnc(NC[C@@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000301263741 433477262 /nfs/dbraw/zinc/47/72/62/433477262.db2.gz FYACSRNITYSEDX-AWEZNQCLSA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000301354267 433517619 /nfs/dbraw/zinc/51/76/19/433517619.db2.gz JVGCKJRSJWGTDR-HNNXBMFYSA-N 1 0 306.410 3.221 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000414297820 433525675 /nfs/dbraw/zinc/52/56/75/433525675.db2.gz PTMHNTVMDLCEEW-KMFMINBZSA-N 1 0 308.422 3.301 20 5 DGBDRO COC1([C@@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000414313929 433538391 /nfs/dbraw/zinc/53/83/91/433538391.db2.gz ZBWKTEGOLCCYMJ-ZIAGYGMSSA-N 1 0 306.406 3.463 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c(Cl)c1 ZINC000301291429 433488718 /nfs/dbraw/zinc/48/87/18/433488718.db2.gz UVMYQPGVCARIJD-JTQLQIEISA-N 1 0 310.785 3.072 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414257176 433491414 /nfs/dbraw/zinc/49/14/14/433491414.db2.gz DIJFDJUOWBAMFF-CTASWTNQSA-N 1 0 306.406 3.319 20 5 DGBDRO Cc1ccnc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301296656 433493797 /nfs/dbraw/zinc/49/37/97/433493797.db2.gz PHNZFAGLYTUOOW-STQMWFEESA-N 1 0 306.410 3.078 20 5 DGBDRO Cc1ccnc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301306956 433498229 /nfs/dbraw/zinc/49/82/29/433498229.db2.gz VJEKBRYXKAHQRD-LRDDRELGSA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1ccnc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301306553 433498938 /nfs/dbraw/zinc/49/89/38/433498938.db2.gz VCSJIJGLTLHIPB-GFCCVEGCSA-N 1 0 306.410 3.221 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421401162 433550282 /nfs/dbraw/zinc/55/02/82/433550282.db2.gz SZJKALNLPZTISE-STTHAQSSSA-N 1 0 318.417 3.483 20 5 DGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000161426285 292835125 /nfs/dbraw/zinc/83/51/25/292835125.db2.gz FCGNHLMOPUYGAS-QWHCGFSZSA-N 1 0 305.378 3.092 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161491617 292836340 /nfs/dbraw/zinc/83/63/40/292836340.db2.gz DOFSDIMVULFTHS-ZBFHGGJFSA-N 1 0 314.385 3.330 20 5 DGBDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000162175289 292848775 /nfs/dbraw/zinc/84/87/75/292848775.db2.gz VDSLQIDXLSUYAF-WMZOPIPTSA-N 1 0 320.433 3.303 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293145302 433635746 /nfs/dbraw/zinc/63/57/46/433635746.db2.gz BHQSRYRIEMKNLK-GDBMZVCRSA-N 1 0 314.385 3.191 20 5 DGBDRO Cc1nc(NC[C@H](C2CCCCC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301614279 433637302 /nfs/dbraw/zinc/63/73/02/433637302.db2.gz APOACLJINSLKRT-OAHLLOKOSA-N 1 0 306.410 3.221 20 5 DGBDRO CC(=O)c1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000342296094 433597585 /nfs/dbraw/zinc/59/75/85/433597585.db2.gz RDFSCLYRAWTBJS-CQSZACIVSA-N 1 0 319.405 3.108 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000292826936 433598488 /nfs/dbraw/zinc/59/84/88/433598488.db2.gz TXJOLVSRMCNBNX-CQSZACIVSA-N 1 0 310.781 3.128 20 5 DGBDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000293024582 433608692 /nfs/dbraw/zinc/60/86/92/433608692.db2.gz KTRQYXUQUKXFIU-AWEZNQCLSA-N 1 0 312.797 3.135 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1(CO)CCC1 ZINC000293024454 433609047 /nfs/dbraw/zinc/60/90/47/433609047.db2.gz KRWVZSCGLBGVHD-OAHLLOKOSA-N 1 0 310.369 3.011 20 5 DGBDRO Cc1nc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301650424 433656847 /nfs/dbraw/zinc/65/68/47/433656847.db2.gz PRBRUIHLMGPTSJ-GFCCVEGCSA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1nc(NCC2CC[NH+](CCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301673415 433671440 /nfs/dbraw/zinc/67/14/40/433671440.db2.gz RKEVFBDEPLRZSA-UHFFFAOYSA-N 1 0 320.437 3.468 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283151206 433677107 /nfs/dbraw/zinc/67/71/07/433677107.db2.gz CJKJPZQGUNRCOX-CHWSQXEVSA-N 1 0 305.378 3.186 20 5 DGBDRO CC[C@]1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000362384772 433678143 /nfs/dbraw/zinc/67/81/43/433678143.db2.gz LKBIVQOZCDVXBM-QGZVFWFLSA-N 1 0 319.405 3.436 20 5 DGBDRO Cc1cc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301697471 433680688 /nfs/dbraw/zinc/68/06/88/433680688.db2.gz BXTZAPSEZABBBH-HUUCEWRRSA-N 1 0 321.421 3.205 20 5 DGBDRO Cc1ccc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301710826 433689405 /nfs/dbraw/zinc/68/94/05/433689405.db2.gz HSHAZGSWJPZICG-HUUCEWRRSA-N 1 0 321.421 3.205 20 5 DGBDRO CC[C@H]([NH2+]Cc1cnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000367439588 293072144 /nfs/dbraw/zinc/07/21/44/293072144.db2.gz VTAOWFGPOZPPTQ-INIZCTEOSA-N 1 0 314.389 3.369 20 5 DGBDRO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301727448 433694565 /nfs/dbraw/zinc/69/45/65/433694565.db2.gz VTWOEKOTEGAMSA-JSGCOSHPSA-N 1 0 323.824 3.477 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(N[C@H]2CC[N@@H+](C3CCCC3)C2)c(F)c1 ZINC000301759704 433710948 /nfs/dbraw/zinc/71/09/48/433710948.db2.gz AXMINCMJACQXDO-JTQLQIEISA-N 1 0 311.332 3.302 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(F)cc1 ZINC000449062307 433720345 /nfs/dbraw/zinc/72/03/45/433720345.db2.gz LBJLFDXBEOYROE-ZDUSSCGKSA-N 1 0 302.349 3.497 20 5 DGBDRO O=C(CC[N@@H+]1CC[C@@H](CC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339673988 433721453 /nfs/dbraw/zinc/72/14/53/433721453.db2.gz IDVVXXQKLYMVCG-AWEZNQCLSA-N 1 0 317.389 3.045 20 5 DGBDRO Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301800307 433727568 /nfs/dbraw/zinc/72/75/68/433727568.db2.gz VNDDHGGOTHIBAH-GDBMZVCRSA-N 1 0 315.417 3.356 20 5 DGBDRO CCc1cccnc1[C@@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000356852352 433731163 /nfs/dbraw/zinc/73/11/63/433731163.db2.gz RLAAXVNMQWYPGB-GFCCVEGCSA-N 1 0 315.373 3.412 20 5 DGBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301816910 433735242 /nfs/dbraw/zinc/73/52/42/433735242.db2.gz HMPBMKLGMJOLKT-UHFFFAOYSA-N 1 0 317.311 3.146 20 5 DGBDRO COC1([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000421833847 433756670 /nfs/dbraw/zinc/75/66/70/433756670.db2.gz JPZRANBKWACRSH-CQSZACIVSA-N 1 0 306.406 3.465 20 5 DGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449760130 433773357 /nfs/dbraw/zinc/77/33/57/433773357.db2.gz LZZWSSYKNQBJAT-UKRRQHHQSA-N 1 0 308.378 3.041 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cn2c(n1)CCCC2 ZINC000429530607 433782772 /nfs/dbraw/zinc/78/27/72/433782772.db2.gz QGGMBGNBARZHOT-ZDUSSCGKSA-N 1 0 314.389 3.321 20 5 DGBDRO CCOC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCCC1 ZINC000293595818 433797276 /nfs/dbraw/zinc/79/72/76/433797276.db2.gz DAJXGMAVEOMCHM-LBPRGKRZSA-N 1 0 307.394 3.177 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000432333664 433824911 /nfs/dbraw/zinc/82/49/11/433824911.db2.gz CWYYWZZKGMMLFE-DGCLKSJQSA-N 1 0 309.797 3.169 20 5 DGBDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000449783801 433800033 /nfs/dbraw/zinc/80/00/33/433800033.db2.gz RUAPDSLQYNUYSL-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H]([NH2+]CCCNc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293607257 433800546 /nfs/dbraw/zinc/80/05/46/433800546.db2.gz GJDGICGRJBHHMY-CYBMUJFWSA-N 1 0 314.389 3.330 20 5 DGBDRO COc1cccc([C@H](CNc2sccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000301934350 433801110 /nfs/dbraw/zinc/80/11/10/433801110.db2.gz OHNOQJKECYAHPD-AWEZNQCLSA-N 1 0 321.402 3.380 20 5 DGBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1F ZINC000283931449 433802974 /nfs/dbraw/zinc/80/29/74/433802974.db2.gz FBGNORANKAIFGT-LLVKDONJSA-N 1 0 303.337 3.475 20 5 DGBDRO CCC[NH+]1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000301952186 433807701 /nfs/dbraw/zinc/80/77/01/433807701.db2.gz JGJVZSYGYWAEKE-UHFFFAOYSA-N 1 0 311.357 3.029 20 5 DGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000432146582 433820344 /nfs/dbraw/zinc/82/03/44/433820344.db2.gz CAUKXDACXNLABM-HUBLWGQQSA-N 1 0 323.824 3.415 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC000432345028 433822261 /nfs/dbraw/zinc/82/22/61/433822261.db2.gz FQOIVLLYQICHPT-STQMWFEESA-N 1 0 314.389 3.062 20 5 DGBDRO COc1cc(C[N@H+](C)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000351971085 433826982 /nfs/dbraw/zinc/82/69/82/433826982.db2.gz OIPUJPJKDXLBMK-UHFFFAOYSA-N 1 0 300.358 3.278 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293695741 433833118 /nfs/dbraw/zinc/83/31/18/433833118.db2.gz LDGKDJZEEIGEFW-BONVTDFDSA-N 1 0 313.357 3.221 20 5 DGBDRO Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(Cl)cc1[N+](=O)[O-] ZINC000302715832 433834769 /nfs/dbraw/zinc/83/47/69/433834769.db2.gz FUOFKWOPRBALDJ-JSGCOSHPSA-N 1 0 323.824 3.477 20 5 DGBDRO CC(C)[C@](C)(O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433125515 433841736 /nfs/dbraw/zinc/84/17/36/433841736.db2.gz KTUVOINRBQJLNR-NVXWUHKLSA-N 1 0 306.406 3.314 20 5 DGBDRO CC(C)C[C@@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175612 433843443 /nfs/dbraw/zinc/84/34/43/433843443.db2.gz MOXDMXWUHRPZHD-LRDDRELGSA-N 1 0 306.406 3.314 20 5 DGBDRO CSC[C@H](CCO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433274110 433849280 /nfs/dbraw/zinc/84/92/80/433849280.db2.gz MJAWZMPIRINIFI-XHDPSFHLSA-N 1 0 324.446 3.021 20 5 DGBDRO Cc1ccc([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC000339913804 433852933 /nfs/dbraw/zinc/85/29/33/433852933.db2.gz BPSQWDZLQJNNNQ-GFCCVEGCSA-N 1 0 324.340 3.042 20 5 DGBDRO [NH3+][C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000414895281 433904742 /nfs/dbraw/zinc/90/47/42/433904742.db2.gz WPMQLSZPNDXWPL-OAHLLOKOSA-N 1 0 317.414 3.150 20 5 DGBDRO CCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(OCC)c2)CCOC1 ZINC000285380915 433933252 /nfs/dbraw/zinc/93/32/52/433933252.db2.gz BLGRNRAFQKVWHW-MRXNPFEDSA-N 1 0 308.378 3.042 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1cccc(C[NH2+]C)c1 ZINC000414871166 433894978 /nfs/dbraw/zinc/89/49/78/433894978.db2.gz SQSNJJZUAORCIR-UHFFFAOYSA-N 1 0 315.373 3.325 20 5 DGBDRO CC[C@@H]([NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414977707 433955027 /nfs/dbraw/zinc/95/50/27/433955027.db2.gz KQXOYWVOPGTHQK-GFCCVEGCSA-N 1 0 305.403 3.150 20 5 DGBDRO Nc1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000285518458 433979311 /nfs/dbraw/zinc/97/93/11/433979311.db2.gz GLJBPAZXQCHDRK-HNNXBMFYSA-N 1 0 316.361 3.019 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)CC1 ZINC000357385917 433985408 /nfs/dbraw/zinc/98/54/08/433985408.db2.gz AXJDZYJAPHLHGK-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000285545669 433988660 /nfs/dbraw/zinc/98/86/60/433988660.db2.gz GGVRTPGWRGDZFI-UHFFFAOYSA-N 1 0 317.389 3.142 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422708988 433938566 /nfs/dbraw/zinc/93/85/66/433938566.db2.gz CPKCFGOXMQCCOJ-ZFWWWQNUSA-N 1 0 321.421 3.004 20 5 DGBDRO CC[NH+](CC)CCCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352358220 434039513 /nfs/dbraw/zinc/03/95/13/434039513.db2.gz WVMPGAPSZBBQGO-UHFFFAOYSA-N 1 0 316.405 3.677 20 5 DGBDRO C[N@H+](CCC(=O)c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000352538260 434042913 /nfs/dbraw/zinc/04/29/13/434042913.db2.gz HNUDSBYHKLUVTC-UHFFFAOYSA-N 1 0 312.369 3.342 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000357524148 434063067 /nfs/dbraw/zinc/06/30/67/434063067.db2.gz AUQCTDRHOILPBX-GXTWGEPZSA-N 1 0 319.405 3.495 20 5 DGBDRO CC[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])[NH+]1CCCC1 ZINC000450258595 434063870 /nfs/dbraw/zinc/06/38/70/434063870.db2.gz RRDHAWNOCWRBHY-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000357552076 434074432 /nfs/dbraw/zinc/07/44/32/434074432.db2.gz JZYWHUZWROYFPM-UONOGXRCSA-N 1 0 319.405 3.495 20 5 DGBDRO C[C@H](CCCO)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305790108 434079559 /nfs/dbraw/zinc/07/95/59/434079559.db2.gz AXVNIPZZXVYDIT-KDOFPFPSSA-N 1 0 314.385 3.435 20 5 DGBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353399119 434106872 /nfs/dbraw/zinc/10/68/72/434106872.db2.gz BJGSKLVCRRRDHT-UKRRQHHQSA-N 1 0 314.389 3.053 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000378270884 434125117 /nfs/dbraw/zinc/12/51/17/434125117.db2.gz LCUHUZVSBHEBQL-QGZVFWFLSA-N 1 0 311.385 3.180 20 5 DGBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000499254622 294082481 /nfs/dbraw/zinc/08/24/81/294082481.db2.gz VCENHPIBUAYELZ-PBHICJAKSA-N 1 0 320.389 3.115 20 5 DGBDRO CC(C)OC[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000500368803 294111569 /nfs/dbraw/zinc/11/15/69/294111569.db2.gz FYKFVRRGBMLFMZ-NSHDSACASA-N 1 0 300.786 3.194 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1CC(C)C ZINC000500457597 294114132 /nfs/dbraw/zinc/11/41/32/294114132.db2.gz PXQJIYPEVMUNAB-AWEZNQCLSA-N 1 0 319.405 3.352 20 5 DGBDRO CCc1cc(OC)ccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000501386696 294139805 /nfs/dbraw/zinc/13/98/05/294139805.db2.gz IANQSBAUIBQFFK-UHFFFAOYSA-N 1 0 300.358 3.456 20 5 DGBDRO COc1cccc(C2([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000510127436 294374654 /nfs/dbraw/zinc/37/46/54/294374654.db2.gz MLZZQXFJDVQCAX-UHFFFAOYSA-N 1 0 312.369 3.425 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000450377150 434139251 /nfs/dbraw/zinc/13/92/51/434139251.db2.gz KOCNMBPNOVBGHJ-VXGBXAGGSA-N 1 0 312.373 3.180 20 5 DGBDRO Cc1c([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363791585 434147991 /nfs/dbraw/zinc/14/79/91/434147991.db2.gz JWIRHWMUKMFAEY-ZNMIVQPWSA-N 1 0 303.406 3.181 20 5 DGBDRO CC[NH+](CC)CCCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286086350 434156329 /nfs/dbraw/zinc/15/63/29/434156329.db2.gz DPWYPSXCNJOQDV-UHFFFAOYSA-N 1 0 323.422 3.133 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000286085973 434157890 /nfs/dbraw/zinc/15/78/90/434157890.db2.gz KGWDBWIBTIOXPZ-GUTXKFCHSA-N 1 0 319.405 3.399 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000315982085 434181687 /nfs/dbraw/zinc/18/16/87/434181687.db2.gz WQSGWCFMBQECEN-UHFFFAOYSA-N 1 0 308.284 3.042 20 5 DGBDRO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000513822247 294485042 /nfs/dbraw/zinc/48/50/42/294485042.db2.gz YPRLPSGLDWQRHO-YXJHDRRASA-N 1 0 318.417 3.322 20 5 DGBDRO CCOc1cccc(NCC2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000317298375 434199332 /nfs/dbraw/zinc/19/93/32/434199332.db2.gz ZDJLNUFLJJUFJU-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO Cc1ccc([C@@H](C)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000318030555 434209804 /nfs/dbraw/zinc/20/98/04/434209804.db2.gz FJJURXXBFUXUSX-CQSZACIVSA-N 1 0 305.422 3.428 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000321153659 434247703 /nfs/dbraw/zinc/24/77/03/434247703.db2.gz GHNCRUYJWNQKLB-IRXDYDNUSA-N 1 0 318.417 3.465 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccncc21 ZINC000319705673 434223152 /nfs/dbraw/zinc/22/31/52/434223152.db2.gz DHNKYXAYFYUAQR-LBPRGKRZSA-N 1 0 312.373 3.039 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC3(C2)CCCCCC3)n1 ZINC000357900588 434237939 /nfs/dbraw/zinc/23/79/39/434237939.db2.gz BYXKRRMDMIQIOB-UHFFFAOYSA-N 1 0 306.410 3.228 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000437540020 434281326 /nfs/dbraw/zinc/28/13/26/434281326.db2.gz ACODTMJATZSJJW-GDBMZVCRSA-N 1 0 322.430 3.463 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423209639 434284198 /nfs/dbraw/zinc/28/41/98/434284198.db2.gz IZTCIOUZNASTLE-KGLIPLIRSA-N 1 0 323.462 3.055 20 5 DGBDRO Cc1c(CN2CCC[C@H]2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000340690155 434303827 /nfs/dbraw/zinc/30/38/27/434303827.db2.gz JKCUVWCSOUXMLQ-KRWDZBQOSA-N 1 0 317.433 3.354 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000517285216 294667787 /nfs/dbraw/zinc/66/77/87/294667787.db2.gz PEVVOPUDZBNYHF-BXUZGUMPSA-N 1 0 307.394 3.336 20 5 DGBDRO Cc1ccc([C@@H](C)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000423266085 434323010 /nfs/dbraw/zinc/32/30/10/434323010.db2.gz RUTPLPYMAVPRNA-CZUORRHYSA-N 1 0 305.422 3.461 20 5 DGBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000450670397 434327139 /nfs/dbraw/zinc/32/71/39/434327139.db2.gz DHHJQWIBHIBFGC-QWQRMKEZSA-N 1 0 314.385 3.410 20 5 DGBDRO CC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000358182387 434371145 /nfs/dbraw/zinc/37/11/45/434371145.db2.gz UOPFMEKWDWLMKN-KRWDZBQOSA-N 1 0 316.405 3.392 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348521187 434372396 /nfs/dbraw/zinc/37/23/96/434372396.db2.gz OBDMPDMJIKTYSW-CMPLNLGQSA-N 1 0 320.723 3.498 20 5 DGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348472696 434336216 /nfs/dbraw/zinc/33/62/16/434336216.db2.gz YHFBRAZDTCAPAI-OCCSQVGLSA-N 1 0 320.418 3.235 20 5 DGBDRO CCCC[C@H](CN)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423296308 434348534 /nfs/dbraw/zinc/34/85/34/434348534.db2.gz GOJIDNSICPAVLL-UAGQMJEPSA-N 1 0 319.449 3.413 20 5 DGBDRO CCN1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417302820 434352415 /nfs/dbraw/zinc/35/24/15/434352415.db2.gz BWBSMLPYMGIGRQ-GOSISDBHSA-N 1 0 317.433 3.436 20 5 DGBDRO CCn1cc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417312776 434352551 /nfs/dbraw/zinc/35/25/51/434352551.db2.gz TTWFQCVNBCCPPT-QGZVFWFLSA-N 1 0 314.389 3.369 20 5 DGBDRO CC(C)[C@H](CO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417326485 434354662 /nfs/dbraw/zinc/35/46/62/434354662.db2.gz GJMTYPBHEMPRSL-YOEHRIQHSA-N 1 0 306.406 3.216 20 5 DGBDRO CCc1ccc([C@H](NC[C@H](C)C[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423308928 434356618 /nfs/dbraw/zinc/35/66/18/434356618.db2.gz PHGYUVMUYQRHGK-SJKOYZFVSA-N 1 0 317.389 3.024 20 5 DGBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[C@@H]1O ZINC000348562491 434402216 /nfs/dbraw/zinc/40/22/16/434402216.db2.gz ZRWJQPPKIXUWTB-HOTGVXAUSA-N 1 0 316.357 3.200 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423427197 434421391 /nfs/dbraw/zinc/42/13/91/434421391.db2.gz NMWUAQKYNAMBGY-UGSOOPFHSA-N 1 0 311.385 3.132 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000353780079 434430373 /nfs/dbraw/zinc/43/03/73/434430373.db2.gz KGIGEGAJSMAXMX-CVEARBPZSA-N 1 0 322.405 3.239 20 5 DGBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCOC1 ZINC000348714410 434462431 /nfs/dbraw/zinc/46/24/31/434462431.db2.gz NRCHZWSPVPWHHY-HNNXBMFYSA-N 1 0 316.357 3.466 20 5 DGBDRO Cc1nn(C)c(Cl)c1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295991946 434464446 /nfs/dbraw/zinc/46/44/46/434464446.db2.gz KGFNMYSKQKJRGT-VIFPVBQESA-N 1 0 308.769 3.141 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000521601263 294879598 /nfs/dbraw/zinc/87/95/98/294879598.db2.gz VQUHFPDZIPGWKP-OWYVNGRQSA-N 1 0 312.797 3.397 20 5 DGBDRO CCC1(CC)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000438503697 434497323 /nfs/dbraw/zinc/49/73/23/434497323.db2.gz RYMKNGHZTKKBEU-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO CCC[C@H]([NH2+]CCc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000401762006 434498189 /nfs/dbraw/zinc/49/81/89/434498189.db2.gz CUOGKMJJIAIABC-INIZCTEOSA-N 1 0 302.378 3.002 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000295972084 434455887 /nfs/dbraw/zinc/45/58/87/434455887.db2.gz ISINWXOSLBEDIJ-LBPRGKRZSA-N 1 0 314.341 3.217 20 5 DGBDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000366877519 434529533 /nfs/dbraw/zinc/52/95/33/434529533.db2.gz CFGATMWJYYSRNL-GDBMZVCRSA-N 1 0 314.389 3.059 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCc2ccccc2CC1 ZINC000523860175 294962862 /nfs/dbraw/zinc/96/28/62/294962862.db2.gz FPXRDMNDWACJJZ-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO [NH3+]CCN(C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000348896811 434545721 /nfs/dbraw/zinc/54/57/21/434545721.db2.gz UFALZWVGRSQFQG-HZPDHXFCSA-N 1 0 311.385 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCOC3(CCCCC3)C2)c(F)c1 ZINC000408145780 434546101 /nfs/dbraw/zinc/54/61/01/434546101.db2.gz VHSOVWBRAIBYLV-UHFFFAOYSA-N 1 0 308.353 3.269 20 5 DGBDRO CCCN1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353970487 434550622 /nfs/dbraw/zinc/55/06/22/434550622.db2.gz FAFTZBQNQIKVBB-SJLPKXTDSA-N 1 0 317.433 3.436 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525411595 295015134 /nfs/dbraw/zinc/01/51/34/295015134.db2.gz WIECUBBKGQVXFY-CVEARBPZSA-N 1 0 322.405 3.109 20 5 DGBDRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000525996246 295049367 /nfs/dbraw/zinc/04/93/67/295049367.db2.gz UVWOSRRGKAPUOF-LBPRGKRZSA-N 1 0 308.378 3.143 20 5 DGBDRO CN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])c2cccnc21 ZINC000348951398 434563905 /nfs/dbraw/zinc/56/39/05/434563905.db2.gz RRUPVUZQEJHQCF-UHFFFAOYSA-N 1 0 318.764 3.100 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)Cc1ccccc1 ZINC000527349356 295093314 /nfs/dbraw/zinc/09/33/14/295093314.db2.gz CSFQHZVQADFJRC-ZBFHGGJFSA-N 1 0 314.385 3.157 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC(COc3ccccc3)C2)c(F)c1 ZINC000459631309 434639014 /nfs/dbraw/zinc/63/90/14/434639014.db2.gz KSRZDJNSBOUEDU-UHFFFAOYSA-N 1 0 316.332 3.245 20 5 DGBDRO Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000459669488 434657094 /nfs/dbraw/zinc/65/70/94/434657094.db2.gz DIWWUWLMNNQIFL-CZUORRHYSA-N 1 0 315.373 3.392 20 5 DGBDRO CCC[C@@H](NCc1nccc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000424309671 434687618 /nfs/dbraw/zinc/68/76/18/434687618.db2.gz QWFGFDRZIBTWSH-CQSZACIVSA-N 1 0 316.361 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000371442633 434703049 /nfs/dbraw/zinc/70/30/49/434703049.db2.gz KBWUVKNVTNVGOW-JKSUJKDBSA-N 1 0 304.390 3.233 20 5 DGBDRO CCN(CCC[NH+](C)C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000349404608 434706053 /nfs/dbraw/zinc/70/60/53/434706053.db2.gz FPQVZSZPNMNCBY-UHFFFAOYSA-N 1 0 307.438 3.492 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000459770501 434708523 /nfs/dbraw/zinc/70/85/23/434708523.db2.gz RIBIABMKQXRLEX-ZIAGYGMSSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000371801756 434754462 /nfs/dbraw/zinc/75/44/62/434754462.db2.gz HURXBFFMFSYDEL-RCFWFJCLSA-N 1 0 316.401 3.357 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000360949040 434739387 /nfs/dbraw/zinc/73/93/87/434739387.db2.gz GFASAZYSKDCJCV-CQSZACIVSA-N 1 0 323.441 3.042 20 5 DGBDRO CC(C)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411185590 434740424 /nfs/dbraw/zinc/74/04/24/434740424.db2.gz NSQPAOYOXFDWRI-OAHLLOKOSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC1(C)C ZINC000419308946 434771465 /nfs/dbraw/zinc/77/14/65/434771465.db2.gz BCVCUOSUSNZPST-ZIAGYGMSSA-N 1 0 319.405 3.256 20 5 DGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411306877 434760398 /nfs/dbraw/zinc/76/03/98/434760398.db2.gz WUANUWZGAQNLKI-OCCSQVGLSA-N 1 0 305.378 3.044 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(OC3CCC3)CC2)cc1 ZINC000419278119 434761999 /nfs/dbraw/zinc/76/19/99/434761999.db2.gz AQYAPTPNVCLGMK-UHFFFAOYSA-N 1 0 304.390 3.171 20 5 DGBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000361029058 434772740 /nfs/dbraw/zinc/77/27/40/434772740.db2.gz QKPPVRBDNAMNLO-VXGBXAGGSA-N 1 0 304.346 3.104 20 5 DGBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361028682 434773210 /nfs/dbraw/zinc/77/32/10/434773210.db2.gz FSHRSHOIPOZHNL-NWDGAFQWSA-N 1 0 304.346 3.104 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000442972429 434773314 /nfs/dbraw/zinc/77/33/14/434773314.db2.gz ZTPKJWYZVNYNDF-HZPDHXFCSA-N 1 0 304.390 3.435 20 5 DGBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC1(C)C ZINC000419323039 434774135 /nfs/dbraw/zinc/77/41/35/434774135.db2.gz TVVHDXSKAXBPKN-ZIAGYGMSSA-N 1 0 319.405 3.256 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000419373863 434782010 /nfs/dbraw/zinc/78/20/10/434782010.db2.gz OUQHZWWJCDRUIN-OUCADQQQSA-N 1 0 319.405 3.208 20 5 DGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411556362 434801257 /nfs/dbraw/zinc/80/12/57/434801257.db2.gz OSMRQAHYPMUNMG-IUODEOHRSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411556364 434802012 /nfs/dbraw/zinc/80/20/12/434802012.db2.gz OSMRQAHYPMUNMG-SWLSCSKDSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411548614 434798142 /nfs/dbraw/zinc/79/81/42/434798142.db2.gz FLRAXFZQYJCDNC-KBPBESRZSA-N 1 0 319.405 3.482 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000453205346 434829315 /nfs/dbraw/zinc/82/93/15/434829315.db2.gz WRGDLBGPFMPCMD-ZIAGYGMSSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411799908 434829899 /nfs/dbraw/zinc/82/98/99/434829899.db2.gz BTTXFUCSQBCLSW-GFCCVEGCSA-N 1 0 305.378 3.186 20 5 DGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000453205343 434830124 /nfs/dbraw/zinc/83/01/24/434830124.db2.gz WRGDLBGPFMPCMD-KGLIPLIRSA-N 1 0 310.781 3.295 20 5 DGBDRO Cc1c(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411956537 434847880 /nfs/dbraw/zinc/84/78/80/434847880.db2.gz WDPXDZBPQKXEGB-WMZOPIPTSA-N 1 0 312.369 3.211 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC(C)(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000412041489 434860365 /nfs/dbraw/zinc/86/03/65/434860365.db2.gz LMNVYZOKYAYGGI-AAEUAGOBSA-N 1 0 319.405 3.351 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000573137679 434877965 /nfs/dbraw/zinc/87/79/65/434877965.db2.gz WAFFDDKENRUOMP-YLQAJVPDSA-N 1 0 302.374 3.129 20 5 DGBDRO Cc1cc(N2CCC([NH+]3CCCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461781551 434886444 /nfs/dbraw/zinc/88/64/44/434886444.db2.gz UDXRXOORKIFBDR-UHFFFAOYSA-N 1 0 321.396 3.497 20 5 DGBDRO C[C@H](CN1CCCCC1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573696998 434919318 /nfs/dbraw/zinc/91/93/18/434919318.db2.gz OPYGPMQFSLPVLL-CJNGLKHVSA-N 1 0 303.406 3.046 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000574338832 434970341 /nfs/dbraw/zinc/97/03/41/434970341.db2.gz DMQFBHNFRPCXOA-INIZCTEOSA-N 1 0 314.389 3.075 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000465000909 435013350 /nfs/dbraw/zinc/01/33/50/435013350.db2.gz MDLWLDZCDOPVOH-NVXWUHKLSA-N 1 0 322.405 3.287 20 5 DGBDRO COc1cc(C[NH2+]CC(C)(C)C(C)(C)C)c([N+](=O)[O-])cc1O ZINC000556883715 435033841 /nfs/dbraw/zinc/03/38/41/435033841.db2.gz VLUJHTRGCMXHFG-UHFFFAOYSA-N 1 0 310.394 3.471 20 5 DGBDRO C[C@H]1CC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C[NH2+]1 ZINC000638644326 435064381 /nfs/dbraw/zinc/06/43/81/435064381.db2.gz PMZWVLMLFCTHJY-ZFWWWQNUSA-N 1 0 319.408 3.258 20 5 DGBDRO CC1(C)CC(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000578378838 435078894 /nfs/dbraw/zinc/07/88/94/435078894.db2.gz QOGIGQVUZDZUDF-OAHLLOKOSA-N 1 0 317.433 3.481 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000531402204 435091808 /nfs/dbraw/zinc/09/18/08/435091808.db2.gz MDLLREMIDXIVPB-UHFFFAOYSA-N 1 0 303.406 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000578589651 435093992 /nfs/dbraw/zinc/09/39/92/435093992.db2.gz KEZYSZIHNZIETI-UHFFFAOYSA-N 1 0 309.369 3.322 20 5 DGBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493060041 435101589 /nfs/dbraw/zinc/10/15/89/435101589.db2.gz VMAGYPQPYDQZNG-QWHCGFSZSA-N 1 0 323.824 3.307 20 5 DGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000467205092 435110845 /nfs/dbraw/zinc/11/08/45/435110845.db2.gz FYXFBZZXKALHRD-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO CO[C@@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000558892869 435114767 /nfs/dbraw/zinc/11/47/67/435114767.db2.gz LVZHCZGNAXKOTN-SFHVURJKSA-N 1 0 314.385 3.457 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c[nH]nc1C(C)(C)C ZINC000559072034 435120123 /nfs/dbraw/zinc/12/01/23/435120123.db2.gz PMKXKONEJLLRBO-UHFFFAOYSA-N 1 0 316.405 3.290 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CN1CCCCC1 ZINC000579854304 435188278 /nfs/dbraw/zinc/18/82/78/435188278.db2.gz UJFUZLBTZLTJRK-UVQBRAAOSA-N 1 0 317.433 3.462 20 5 DGBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000475377996 435195060 /nfs/dbraw/zinc/19/50/60/435195060.db2.gz CQEAPJBIKYCJSJ-KRZKXXONSA-N 1 0 318.417 3.481 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000532927375 435201146 /nfs/dbraw/zinc/20/11/46/435201146.db2.gz DMYOGLUZAWPIAX-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000475565336 435202767 /nfs/dbraw/zinc/20/27/67/435202767.db2.gz LPNXOQBPDDBCOW-MCIONIFRSA-N 1 0 319.405 3.338 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000579613716 435169038 /nfs/dbraw/zinc/16/90/38/435169038.db2.gz AGCNZRJXXQFCIL-HZPDHXFCSA-N 1 0 316.332 3.044 20 5 DGBDRO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC1 ZINC000532575787 435177600 /nfs/dbraw/zinc/17/76/00/435177600.db2.gz AUCJSXHOOWEKTM-UHFFFAOYSA-N 1 0 302.334 3.019 20 5 DGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@H](c1ccccc1)[NH+](C)C ZINC000580140797 435208294 /nfs/dbraw/zinc/20/82/94/435208294.db2.gz GGFDVEQDIWDMLO-MLGOLLRUSA-N 1 0 300.362 3.093 20 5 DGBDRO Cc1cc(N2CCC[C@H](C[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000561264003 435208287 /nfs/dbraw/zinc/20/82/87/435208287.db2.gz COGFMBOWBLTODO-SNVBAGLBSA-N 1 0 317.311 3.097 20 5 DGBDRO Cc1c(C[N@H+]2CCC[C@]2(CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000475722800 435210364 /nfs/dbraw/zinc/21/03/64/435210364.db2.gz MFEZLIZOVJPRQW-QGZVFWFLSA-N 1 0 306.406 3.276 20 5 DGBDRO CCC(CC)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000533404366 435233598 /nfs/dbraw/zinc/23/35/98/435233598.db2.gz KRJXTBJEKOZQEU-UHFFFAOYSA-N 1 0 319.405 3.495 20 5 DGBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000478241025 435293990 /nfs/dbraw/zinc/29/39/90/435293990.db2.gz VKIJRKIIKQCUNZ-IUODEOHRSA-N 1 0 310.369 3.417 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000588552333 435295275 /nfs/dbraw/zinc/29/52/75/435295275.db2.gz BDYMLPLKYZDHKU-CJISVDGZSA-N 1 0 316.401 3.499 20 5 DGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000497117324 435299187 /nfs/dbraw/zinc/29/91/87/435299187.db2.gz UMUMSBGGJISXID-BQUHIEPJSA-N 1 0 304.390 3.091 20 5 DGBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000478437827 435299453 /nfs/dbraw/zinc/29/94/53/435299453.db2.gz IWUKMKCBZZIKRW-HNNXBMFYSA-N 1 0 322.796 3.432 20 5 DGBDRO CCOc1cc(N[C@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000511370259 435320875 /nfs/dbraw/zinc/32/08/75/435320875.db2.gz RLIUESZBODPGRG-GFCCVEGCSA-N 1 0 305.378 3.056 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000567887390 435364561 /nfs/dbraw/zinc/36/45/61/435364561.db2.gz JJDQHORSBZNHHU-LJIZSIIESA-N 1 0 316.401 3.499 20 5 DGBDRO CCC(=O)c1ccc(N[C@H](C)C[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC000479962733 435361034 /nfs/dbraw/zinc/36/10/34/435361034.db2.gz SSLROMMMHSZNOC-GFCCVEGCSA-N 1 0 307.394 3.330 20 5 DGBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CC[NH2+]C1 ZINC000567865171 435362689 /nfs/dbraw/zinc/36/26/89/435362689.db2.gz JEUXCFVRSDOIHO-AWEZNQCLSA-N 1 0 317.414 3.117 20 5 DGBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000481108476 435411069 /nfs/dbraw/zinc/41/10/69/435411069.db2.gz LQYWEVNXUMKVHK-QWHCGFSZSA-N 1 0 319.405 3.338 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000512891677 435372592 /nfs/dbraw/zinc/37/25/92/435372592.db2.gz QLTKEJGXIZBECG-WEJWTIOFSA-N 1 0 304.390 3.260 20 5 DGBDRO CN1Cc2ccccc2[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537319962 435437054 /nfs/dbraw/zinc/43/70/54/435437054.db2.gz WZDNCNFQUMHJEH-OTIVFRFGSA-N 1 0 323.396 3.384 20 5 DGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000538725758 435517345 /nfs/dbraw/zinc/51/73/45/435517345.db2.gz VKUQJYFVYRRINF-DGCLKSJQSA-N 1 0 308.378 3.232 20 5 DGBDRO CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482864341 435486611 /nfs/dbraw/zinc/48/66/11/435486611.db2.gz AQXTYVGAJQNWQV-GDBMZVCRSA-N 1 0 305.422 3.428 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000483102039 435495990 /nfs/dbraw/zinc/49/59/90/435495990.db2.gz VWNCYACGRPWGNO-CYBMUJFWSA-N 1 0 319.405 3.352 20 5 DGBDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539500846 435555987 /nfs/dbraw/zinc/55/59/87/435555987.db2.gz BQSCCYDXPZDEFN-KRWDZBQOSA-N 1 0 318.373 3.496 20 5 DGBDRO CCC[N@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C(C)C ZINC000569740281 435557752 /nfs/dbraw/zinc/55/77/52/435557752.db2.gz YKEAVLAWDJNPSG-UHFFFAOYSA-N 1 0 323.393 3.052 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CCCCCC3)C2)nc1 ZINC000539835926 435572777 /nfs/dbraw/zinc/57/27/77/435572777.db2.gz WNFNMLWJUGUBFL-OAHLLOKOSA-N 1 0 318.421 3.446 20 5 DGBDRO C[C@H]([NH2+]CC(=O)NC1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000539281139 435544559 /nfs/dbraw/zinc/54/45/59/435544559.db2.gz QVLFZPIHLVFZEF-ZDUSSCGKSA-N 1 0 319.405 3.084 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000570122723 435591685 /nfs/dbraw/zinc/59/16/85/435591685.db2.gz BVACDOPXUKSZNX-ZDUSSCGKSA-N 1 0 322.409 3.145 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000570276842 435604726 /nfs/dbraw/zinc/60/47/26/435604726.db2.gz USTAUSXPWMTUEP-NVXWUHKLSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CO1 ZINC000518532925 435645627 /nfs/dbraw/zinc/64/56/27/435645627.db2.gz GPVJOTXNVMYGTG-VRKREXBASA-N 1 0 304.390 3.073 20 5 DGBDRO Cc1csc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000518759081 435650839 /nfs/dbraw/zinc/65/08/39/435650839.db2.gz IBEOOQQUKCTKSU-UHFFFAOYSA-N 1 0 319.386 3.083 20 5 DGBDRO C[C@H]1C[C@H](C)[NH+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000548096943 435668823 /nfs/dbraw/zinc/66/88/23/435668823.db2.gz YDPDZVYTDABBGC-RYUDHWBXSA-N 1 0 301.346 3.275 20 5 DGBDRO CC(C)C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N(C)C ZINC000571225184 435689167 /nfs/dbraw/zinc/68/91/67/435689167.db2.gz VSTZGLRUAQBCOI-BBRMVZONSA-N 1 0 305.422 3.148 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2NC1CC[NH+](C2CCC2)CC1 ZINC000571415720 435706003 /nfs/dbraw/zinc/70/60/03/435706003.db2.gz BLVOVQVQKAEWMF-QGZVFWFLSA-N 1 0 315.417 3.189 20 5 DGBDRO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCC[C@@H]21 ZINC000550063519 435791723 /nfs/dbraw/zinc/79/17/23/435791723.db2.gz NRCSGZNHMVGYAB-SWLSCSKDSA-N 1 0 314.389 3.482 20 5 DGBDRO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCC[C@H]21 ZINC000550063518 435791737 /nfs/dbraw/zinc/79/17/37/435791737.db2.gz NRCSGZNHMVGYAB-IUODEOHRSA-N 1 0 314.389 3.482 20 5 DGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1F)CCC(F)(F)F ZINC000491606035 435780039 /nfs/dbraw/zinc/78/00/39/435780039.db2.gz BATJPOVMNUBQDD-UHFFFAOYSA-N 1 0 323.290 3.420 20 5 DGBDRO CCC(CC)(CCO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572900019 435879874 /nfs/dbraw/zinc/87/98/74/435879874.db2.gz RZRPPOAJDRPYFY-OAHLLOKOSA-N 1 0 306.406 3.361 20 5 DGBDRO COc1cccc(OCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173305615 312756232 /nfs/dbraw/zinc/75/62/32/312756232.db2.gz GOEXAPZQCTZMRJ-ZDUSSCGKSA-N 1 0 316.357 3.333 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173306022 312756245 /nfs/dbraw/zinc/75/62/45/312756245.db2.gz UODAAWHINRJDSV-GFCCVEGCSA-N 1 0 304.321 3.464 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000177121208 312779382 /nfs/dbraw/zinc/77/93/82/312779382.db2.gz QPKJBUQGYNMYOJ-LBPRGKRZSA-N 1 0 304.321 3.464 20 5 DGBDRO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680404 312791566 /nfs/dbraw/zinc/79/15/66/312791566.db2.gz RUMODUSDOGDPRX-STQMWFEESA-N 1 0 321.421 3.247 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000539506555 313916356 /nfs/dbraw/zinc/91/63/56/313916356.db2.gz AYLKHRNGOQTETE-XJKSGUPXSA-N 1 0 306.406 3.351 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CCCO ZINC000540135621 313948147 /nfs/dbraw/zinc/94/81/47/313948147.db2.gz LENNDEMTRDUQNJ-CQSZACIVSA-N 1 0 308.422 3.304 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOC1CCOCC1 ZINC000540182528 313951624 /nfs/dbraw/zinc/95/16/24/313951624.db2.gz VOWZMXBXLGWNDZ-AWEZNQCLSA-N 1 0 322.405 3.140 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000543249555 314123661 /nfs/dbraw/zinc/12/36/61/314123661.db2.gz JPENDIZIJOGJCP-CHWSQXEVSA-N 1 0 319.405 3.290 20 5 DGBDRO COC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000544424295 314192718 /nfs/dbraw/zinc/19/27/18/314192718.db2.gz JMDQZIJIWLRABK-MRXNPFEDSA-N 1 0 320.389 3.196 20 5 DGBDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000544844307 314213240 /nfs/dbraw/zinc/21/32/40/314213240.db2.gz CHOACUOKUGPALK-JTQLQIEISA-N 1 0 306.284 3.424 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC[N@@H+]1C ZINC000545474548 314253473 /nfs/dbraw/zinc/25/34/73/314253473.db2.gz LWDBONUVOMQSCS-ZJUUUORDSA-N 1 0 315.320 3.091 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC[N@@H+]1C ZINC000545474547 314253536 /nfs/dbraw/zinc/25/35/36/314253536.db2.gz LWDBONUVOMQSCS-VHSXEESVSA-N 1 0 315.320 3.091 20 5 DGBDRO CCC1(CC)[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000548067051 314417203 /nfs/dbraw/zinc/41/72/03/314417203.db2.gz ZAFCHEZDOOKUGH-HOTGVXAUSA-N 1 0 306.406 3.321 20 5 DGBDRO CC1(C)SC[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000549237400 314500711 /nfs/dbraw/zinc/50/07/11/314500711.db2.gz OQSDXWAPCSDJIW-HIFRSBDPSA-N 1 0 306.431 3.400 20 5 DGBDRO CC(C)C1([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000556234340 314749323 /nfs/dbraw/zinc/74/93/23/314749323.db2.gz WTEWUNPVDIDIHU-LBPRGKRZSA-N 1 0 305.378 3.090 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000563781280 315137047 /nfs/dbraw/zinc/13/70/47/315137047.db2.gz KEUUWJQTKXNJQA-CYBMUJFWSA-N 1 0 322.409 3.145 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000564508164 315179883 /nfs/dbraw/zinc/17/98/83/315179883.db2.gz BJXQWNIUQAHQLH-XKQJLSEDSA-N 1 0 303.406 3.181 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000564986556 315217352 /nfs/dbraw/zinc/21/73/52/315217352.db2.gz PFZBZPZODJTJBS-CVEARBPZSA-N 1 0 304.390 3.294 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCCC[C@@H]2O)C2CC2)cc1 ZINC000565988847 315302496 /nfs/dbraw/zinc/30/24/96/315302496.db2.gz GKOTTZZSHODCCE-YOEHRIQHSA-N 1 0 304.390 3.110 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1Cn1c(C)[nH+]c2c1CCCC2 ZINC000571417611 315719374 /nfs/dbraw/zinc/71/93/74/315719374.db2.gz DBDSHLYFGHLAOZ-UHFFFAOYSA-N 1 0 301.346 3.035 20 5 DGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CC3CCCC3)CC2)c(F)c1 ZINC000571529180 315727108 /nfs/dbraw/zinc/72/71/08/315727108.db2.gz OMVNLBVMLRIWGW-UHFFFAOYSA-N 1 0 322.384 3.195 20 5 DGBDRO CCOC1CC(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000573020333 315835147 /nfs/dbraw/zinc/83/51/47/315835147.db2.gz HPOZUEFWXYNHCG-SEEARECTSA-N 1 0 304.390 3.377 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000574100568 315932460 /nfs/dbraw/zinc/93/24/60/315932460.db2.gz UGXGLTRGMJAKIG-AIANPOQGSA-N 1 0 302.374 3.129 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(OCC[N@H+](C)Cc2ccccc2)c1 ZINC000576822574 316171560 /nfs/dbraw/zinc/17/15/60/316171560.db2.gz KTSHQWPPURWNPA-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO CCCCN(C)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000577050607 316196622 /nfs/dbraw/zinc/19/66/22/316196622.db2.gz CIIYJIXAUWYNGG-QGZVFWFLSA-N 1 0 305.422 3.294 20 5 DGBDRO Cc1ccccc1[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000180083742 323220808 /nfs/dbraw/zinc/22/08/08/323220808.db2.gz BHGHPXMMQSFBDP-INIZCTEOSA-N 1 0 316.405 3.477 20 5 DGBDRO Cc1ccccc1[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000180083803 323220888 /nfs/dbraw/zinc/22/08/88/323220888.db2.gz GMQYEDHPKHWPJU-MRXNPFEDSA-N 1 0 316.405 3.477 20 5 DGBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000180108578 323221556 /nfs/dbraw/zinc/22/15/56/323221556.db2.gz VZOIJPQYZHCHQE-UHFFFAOYSA-N 1 0 305.300 3.002 20 5 DGBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181634042 323261992 /nfs/dbraw/zinc/26/19/92/323261992.db2.gz QPUVFPJBWYGLBK-OAHLLOKOSA-N 1 0 324.331 3.056 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000181695428 323264454 /nfs/dbraw/zinc/26/44/54/323264454.db2.gz WQWRQDYVGUCXPK-HOTGVXAUSA-N 1 0 320.389 3.041 20 5 DGBDRO CCCN(CCC)C(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181826300 323271122 /nfs/dbraw/zinc/27/11/22/323271122.db2.gz ABHREUOBSZPZGW-AWEZNQCLSA-N 1 0 321.421 3.202 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182338862 323294408 /nfs/dbraw/zinc/29/44/08/323294408.db2.gz ZTTOPVZEKXFTPZ-CQSZACIVSA-N 1 0 321.421 3.418 20 5 DGBDRO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000182456949 323299626 /nfs/dbraw/zinc/29/96/26/323299626.db2.gz XKIXIQSOANQZFK-ZDUSSCGKSA-N 1 0 319.361 3.319 20 5 DGBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000381161225 323613968 /nfs/dbraw/zinc/61/39/68/323613968.db2.gz NSMBKILZWLQJST-YGRLFVJLSA-N 1 0 300.786 3.399 20 5 DGBDRO CC[C@H](C)[C@@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)OC ZINC000381108668 323614007 /nfs/dbraw/zinc/61/40/07/323614007.db2.gz BPPVORXIIJJSTF-APPDUMDISA-N 1 0 317.389 3.346 20 5 DGBDRO Cc1cc(NC[C@@H]2CCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000388812004 323654423 /nfs/dbraw/zinc/65/44/23/323654423.db2.gz AEFBOXXFCMHBIY-QWHCGFSZSA-N 1 0 315.373 3.100 20 5 DGBDRO C[N@H+](CCOc1ccccc1F)CCc1cccc([N+](=O)[O-])c1 ZINC000580964500 324059140 /nfs/dbraw/zinc/05/91/40/324059140.db2.gz CVGYFJRZIQVRKZ-UHFFFAOYSA-N 1 0 318.348 3.287 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000583236715 324329538 /nfs/dbraw/zinc/32/95/38/324329538.db2.gz WSWXHHWUPZHDJB-GFCCVEGCSA-N 1 0 306.410 3.095 20 5 DGBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000583482213 324360225 /nfs/dbraw/zinc/36/02/25/324360225.db2.gz DRMRMHITOQCVMM-INIZCTEOSA-N 1 0 301.346 3.110 20 5 DGBDRO Cc1nnsc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583502677 324362821 /nfs/dbraw/zinc/36/28/21/324362821.db2.gz AROQMTLWGPKBSC-CYBMUJFWSA-N 1 0 318.402 3.134 20 5 DGBDRO CCC[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCOC1 ZINC000512257877 500671361 /nfs/dbraw/zinc/67/13/61/500671361.db2.gz FXBPCYVQYXGIOG-QGZVFWFLSA-N 1 0 322.405 3.431 20 5 DGBDRO CSC[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000292457752 533732933 /nfs/dbraw/zinc/73/29/33/533732933.db2.gz QBXMNDZLXJFKOW-CYBMUJFWSA-N 1 0 310.419 3.049 20 5 DGBDRO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294700982 533810582 /nfs/dbraw/zinc/81/05/82/533810582.db2.gz JAQVWSRYLVFUMK-LBPRGKRZSA-N 1 0 320.437 3.091 20 5 DGBDRO C[C@H]([NH2+]CC[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000299563571 533864160 /nfs/dbraw/zinc/86/41/60/533864160.db2.gz GUZOHJCXCIMZHW-SUMWQHHRSA-N 1 0 300.358 3.369 20 5 DGBDRO Cc1ccc(C[N@H+](C)CCOc2ccccc2)cc1[N+](=O)[O-] ZINC000434981665 533872183 /nfs/dbraw/zinc/87/21/83/533872183.db2.gz LHKUNIXMXHJYDT-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000317733370 533971258 /nfs/dbraw/zinc/97/12/58/533971258.db2.gz ROOXVVUISKUKLG-VXGBXAGGSA-N 1 0 300.362 3.038 20 5 DGBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429568707 534246624 /nfs/dbraw/zinc/24/66/24/534246624.db2.gz OWKPTSUTFMEHRX-YPMHNXCESA-N 1 0 316.361 3.265 20 5 DGBDRO O=C(CC[NH+]1C[C@H]2CCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000177523399 534419649 /nfs/dbraw/zinc/41/96/49/534419649.db2.gz LPYJQFFPRGVKDO-ZIAGYGMSSA-N 1 0 317.389 3.045 20 5 DGBDRO Cc1cnc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000294913530 534556536 /nfs/dbraw/zinc/55/65/36/534556536.db2.gz BBRHALQRVWAIHZ-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO [NH3+]C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000435378366 534568106 /nfs/dbraw/zinc/56/81/06/534568106.db2.gz DLAQGEGQZUAZDL-UHFFFAOYSA-N 1 0 317.414 3.246 20 5 DGBDRO CC[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000158269944 522828026 /nfs/dbraw/zinc/82/80/26/522828026.db2.gz SGPDKFZOQXGMPO-WMLDXEAASA-N 1 0 322.405 3.079 20 5 DGBDRO C[NH+](C)CCCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000264861235 524052487 /nfs/dbraw/zinc/05/24/87/524052487.db2.gz DYSCKXTVKYWZKB-UHFFFAOYSA-N 1 0 321.424 3.460 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000156434482 525460862 /nfs/dbraw/zinc/46/08/62/525460862.db2.gz SIVIGQGGTIHFRA-UHFFFAOYSA-N 1 0 308.378 3.039 20 5 DGBDRO O=[N+]([O-])c1cc2cnn(CC[NH+]3CCCCC3)c2c(Cl)c1 ZINC000435792096 534881391 /nfs/dbraw/zinc/88/13/91/534881391.db2.gz SJPFTDMVSMLIKR-UHFFFAOYSA-N 1 0 308.769 3.084 20 5 DGBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429705715 527220223 /nfs/dbraw/zinc/22/02/23/527220223.db2.gz ZHJPFZRGGSBCMF-QGZVFWFLSA-N 1 0 314.385 3.444 20 5 DGBDRO CC(=O)c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433802228 527316392 /nfs/dbraw/zinc/31/63/92/527316392.db2.gz OLSJVDWJFWBQLE-HNNXBMFYSA-N 1 0 317.389 3.226 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430126944 527501313 /nfs/dbraw/zinc/50/13/13/527501313.db2.gz VWNDTKKSSNRLOH-QWSHFYNQSA-N 1 0 315.417 3.026 20 5 DGBDRO CCC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000296317268 527798888 /nfs/dbraw/zinc/79/88/88/527798888.db2.gz OMQKTLXRAUOOIA-UHFFFAOYSA-N 1 0 305.378 3.154 20 5 DGBDRO CCC[N@H+](CC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000434985911 528003675 /nfs/dbraw/zinc/00/36/75/528003675.db2.gz LJVGHJUJHJBDBV-UHFFFAOYSA-N 1 0 302.378 3.227 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000315565942 528179998 /nfs/dbraw/zinc/17/99/98/528179998.db2.gz MZOKITGHOFUANE-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO CC(C)c1nnc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000426292902 528421076 /nfs/dbraw/zinc/42/10/76/528421076.db2.gz WXJLTLXMUKALEN-NSHDSACASA-N 1 0 320.418 3.463 20 5 DGBDRO CCC(CC)(CCO)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294976534 528646878 /nfs/dbraw/zinc/64/68/78/528646878.db2.gz ZVVHRPAXWZPTDK-GFCCVEGCSA-N 1 0 309.410 3.016 20 5 DGBDRO CCC(CC)(CO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193047904 528707345 /nfs/dbraw/zinc/70/73/45/528707345.db2.gz FDROLGKANDIJCI-INIZCTEOSA-N 1 0 306.406 3.361 20 5 DGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413310526 528828456 /nfs/dbraw/zinc/82/84/56/528828456.db2.gz NOCYYFMHPGWPDZ-SECBINFHSA-N 1 0 320.315 3.149 20 5 DGBDRO CC1(C)CCCN(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000444010949 528935851 /nfs/dbraw/zinc/93/58/51/528935851.db2.gz QSJUUWOZACWGBF-VMPITWQZSA-N 1 0 317.433 3.320 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429448711 529019781 /nfs/dbraw/zinc/01/97/81/529019781.db2.gz GYDUCEKBJZOIQC-DGCLKSJQSA-N 1 0 302.321 3.042 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1(CO)CCC1 ZINC000292707192 529123509 /nfs/dbraw/zinc/12/35/09/529123509.db2.gz CXFZKXHJEACAQK-HNNXBMFYSA-N 1 0 310.369 3.011 20 5 DGBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433115059 529224634 /nfs/dbraw/zinc/22/46/34/529224634.db2.gz HOCPBORWRJYYDT-XZJROXQQSA-N 1 0 306.406 3.314 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000429794622 529234854 /nfs/dbraw/zinc/23/48/54/529234854.db2.gz XMUIGRFTFWLCKU-DZGCQCFKSA-N 1 0 319.405 3.400 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000429794623 529311684 /nfs/dbraw/zinc/31/16/84/529311684.db2.gz XMUIGRFTFWLCKU-HIFRSBDPSA-N 1 0 319.405 3.400 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429785932 529322335 /nfs/dbraw/zinc/32/23/35/529322335.db2.gz LFDOZNAMLBGMMK-YNEHKIRRSA-N 1 0 305.378 3.090 20 5 DGBDRO CC(C)c1nnc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449192498 534988090 /nfs/dbraw/zinc/98/80/90/534988090.db2.gz QUMBMEWZTHBOPR-NSHDSACASA-N 1 0 320.418 3.291 20 5 DGBDRO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000449500214 535631127 /nfs/dbraw/zinc/63/11/27/535631127.db2.gz MQHLDXBXKQMQQW-NHYWBVRUSA-N 1 0 312.797 3.495 20 5 DGBDRO CCc1nn(C)cc1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468620015 535825948 /nfs/dbraw/zinc/82/59/48/535825948.db2.gz RAMZTJJVPPKEFC-MDWZMJQESA-N 1 0 314.389 3.084 20 5 DGBDRO CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000495439009 535906549 /nfs/dbraw/zinc/90/65/49/535906549.db2.gz JYUASHJXHFHBRZ-OCCSQVGLSA-N 1 0 312.797 3.195 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](C)O ZINC000449548120 535915564 /nfs/dbraw/zinc/91/55/64/535915564.db2.gz ZMCBAGHBSUSZDC-RISCZKNCSA-N 1 0 304.346 3.104 20 5 DGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449637037 536011544 /nfs/dbraw/zinc/01/15/44/536011544.db2.gz FVGCGHZRRVCYDN-VUNQQRPYSA-N 1 0 320.433 3.445 20 5 DGBDRO COc1cc(C[NH2+]Cc2cc(C)cs2)c([N+](=O)[O-])cc1OC ZINC000449482355 536801561 /nfs/dbraw/zinc/80/15/61/536801561.db2.gz YCJNFGULWHOYBH-UHFFFAOYSA-N 1 0 322.386 3.272 20 5 DGBDRO COc1ccc(-c2ccc(C[NH+]3CC4(CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000449370051 536896200 /nfs/dbraw/zinc/89/62/00/536896200.db2.gz HXZOVOIVZDUGGS-UHFFFAOYSA-N 1 0 314.341 3.459 20 5 DGBDRO COC[C@H](CCO)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000740010508 574918329 /nfs/dbraw/zinc/91/83/29/574918329.db2.gz DDKLAHBTJIHGEU-KRWDZBQOSA-N 1 0 309.409 3.480 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](CCO)c2cccs2)cc1[N+](=O)[O-] ZINC000740900766 574945628 /nfs/dbraw/zinc/94/56/28/574945628.db2.gz XZUOZOYNVSFGEC-ZDUSSCGKSA-N 1 0 306.387 3.178 20 5 DGBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000743499975 575054835 /nfs/dbraw/zinc/05/48/35/575054835.db2.gz RVQUGQPBAYXOTL-PWSUYJOCSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1c(NC(=O)CCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000729297151 575233730 /nfs/dbraw/zinc/23/37/30/575233730.db2.gz WVLGLOJTYUDCON-UHFFFAOYSA-N 1 0 305.378 3.108 20 5 DGBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746669490 575289202 /nfs/dbraw/zinc/28/92/02/575289202.db2.gz DJSJUJQCPUALQY-LSDHHAIUSA-N 1 0 312.797 3.374 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000747531932 575523954 /nfs/dbraw/zinc/52/39/54/575523954.db2.gz GIIUIKZFZUCDNA-INIZCTEOSA-N 1 0 308.353 3.127 20 5 DGBDRO CC(C)C[C@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000748791246 575606598 /nfs/dbraw/zinc/60/65/98/575606598.db2.gz GEBPIXNJQLPZHE-CQSZACIVSA-N 1 0 302.378 3.413 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000749558952 575665095 /nfs/dbraw/zinc/66/50/95/575665095.db2.gz KDZXNMOILVDIBI-CHWSQXEVSA-N 1 0 324.808 3.497 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000749645191 575670529 /nfs/dbraw/zinc/67/05/29/575670529.db2.gz HMKJLAZTHQOQCQ-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000749841336 575682569 /nfs/dbraw/zinc/68/25/69/575682569.db2.gz WMZPOAGMNQXZIN-KGLIPLIRSA-N 1 0 312.369 3.497 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CCO)CCCCC2)ccc1Cl ZINC000751152682 575772112 /nfs/dbraw/zinc/77/21/12/575772112.db2.gz MQBICJMHPWWIIE-UHFFFAOYSA-N 1 0 312.797 3.423 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccccc2Cl)c1 ZINC000749642890 576098494 /nfs/dbraw/zinc/09/84/94/576098494.db2.gz ADGBVTXBPMVFOK-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000852650990 620637518 /nfs/dbraw/zinc/63/75/18/620637518.db2.gz XCZBPAGSDXHVOP-ZSHMMXAPSA-N 1 0 310.369 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCC2CC2)CC2CC2)cc1 ZINC000852717382 620642734 /nfs/dbraw/zinc/64/27/34/620642734.db2.gz IOWIDQCECWDKNP-QGZVFWFLSA-N 1 0 304.390 3.140 20 5 DGBDRO [NH3+]C[C@@H]1CCc2ccccc2N1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852756175 620646226 /nfs/dbraw/zinc/64/62/26/620646226.db2.gz XUHFXBBRBUFXGH-HNNXBMFYSA-N 1 0 315.348 3.014 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCCCCC3)sc2c1 ZINC000111120072 620671821 /nfs/dbraw/zinc/67/18/21/620671821.db2.gz CXVSDYDMQZVXMG-UHFFFAOYSA-N 1 0 320.418 3.492 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000918198751 620702122 /nfs/dbraw/zinc/70/21/22/620702122.db2.gz ZXWSPLFWEDPACF-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000853644891 620719492 /nfs/dbraw/zinc/71/94/92/620719492.db2.gz DHIYVUXQPUBGQA-HNNXBMFYSA-N 1 0 311.332 3.064 20 5 DGBDRO CCC(=O)c1ccc(N2CCC[N@@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000853684647 620724836 /nfs/dbraw/zinc/72/48/36/620724836.db2.gz GPRNILSGCDYYPS-ZDUSSCGKSA-N 1 0 319.405 3.108 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC3(CCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121255622 617606053 /nfs/dbraw/zinc/60/60/53/617606053.db2.gz JYWBKDSQAHGOJJ-UHFFFAOYSA-N 1 0 300.362 3.086 20 5 DGBDRO COc1c(O)ccc(CN2CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000891401965 617792991 /nfs/dbraw/zinc/79/29/91/617792991.db2.gz MAIFDZYHLLALMZ-CQSZACIVSA-N 1 0 314.341 3.256 20 5 DGBDRO CSC[C@H]1CCC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121267250 617941189 /nfs/dbraw/zinc/94/11/89/617941189.db2.gz FRVIRUZYPDTDQN-CYBMUJFWSA-N 1 0 320.418 3.038 20 5 DGBDRO C[NH+](C)C1(C)CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000894850799 618475251 /nfs/dbraw/zinc/47/52/51/618475251.db2.gz YOQFAOMEIJSRGE-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3c2nccc3Cl)c1 ZINC000925639492 618517458 /nfs/dbraw/zinc/51/74/58/618517458.db2.gz CELFQPRERAILIS-HNNXBMFYSA-N 1 0 317.776 3.463 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2CCCO)c1 ZINC000925640059 618517472 /nfs/dbraw/zinc/51/74/72/618517472.db2.gz FTSRDQBCYSDQLN-NVXWUHKLSA-N 1 0 306.406 3.058 20 5 DGBDRO COC1CCC(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000894273761 618748670 /nfs/dbraw/zinc/74/86/70/618748670.db2.gz URSMAFXUCNSFBD-UHFFFAOYSA-N 1 0 306.406 3.274 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cccc2c1NCCC2 ZINC000894300104 618756178 /nfs/dbraw/zinc/75/61/78/618756178.db2.gz SQVMLOQBUZWVCI-UHFFFAOYSA-N 1 0 311.385 3.285 20 5 DGBDRO CC1([NH+]2CCCC2)CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000895523153 618795690 /nfs/dbraw/zinc/79/56/90/618795690.db2.gz JXOKMQQNTGKRLC-UHFFFAOYSA-N 1 0 304.394 3.199 20 5 DGBDRO CC1([NH+]2CCC2)CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000895672477 618816540 /nfs/dbraw/zinc/81/65/40/618816540.db2.gz ZTUHDOCAWMSFIB-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO Cc1nc(NC2CCC(C)([NH+]3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000896255743 618892599 /nfs/dbraw/zinc/89/25/99/618892599.db2.gz RUEMNEKODFMLNM-UHFFFAOYSA-N 1 0 304.394 3.117 20 5 DGBDRO COc1cncc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000897459152 619129880 /nfs/dbraw/zinc/12/98/80/619129880.db2.gz IPSMBVMHPJTSKT-LBPRGKRZSA-N 1 0 315.373 3.200 20 5 DGBDRO C[C@H](C[NH2+]Cc1cc(C2CC2)no1)c1ccccc1[N+](=O)[O-] ZINC000897460743 619130174 /nfs/dbraw/zinc/13/01/74/619130174.db2.gz VUMQQJAKFWVNNH-LLVKDONJSA-N 1 0 301.346 3.354 20 5 DGBDRO C[C@@H](C[NH2+]Cc1nc2c(s1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000897466318 619130685 /nfs/dbraw/zinc/13/06/85/619130685.db2.gz RHFCSRANAPBNBZ-NSHDSACASA-N 1 0 317.414 3.433 20 5 DGBDRO CCn1nc(C)c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000897469249 619131575 /nfs/dbraw/zinc/13/15/75/619131575.db2.gz GWXLXTJQXSOGMR-LBPRGKRZSA-N 1 0 316.405 3.321 20 5 DGBDRO C[C@H](C[NH2+]Cc1nn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000897469937 619131848 /nfs/dbraw/zinc/13/18/48/619131848.db2.gz UHLNWIZGAMFRFJ-CYBMUJFWSA-N 1 0 324.384 3.375 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c(Cl)c1 ZINC000897507332 619140769 /nfs/dbraw/zinc/14/07/69/619140769.db2.gz BEMAPLGIYZMAEQ-HIFRSBDPSA-N 1 0 310.781 3.295 20 5 DGBDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000897526331 619148665 /nfs/dbraw/zinc/14/86/65/619148665.db2.gz ZWAARXHDULHMBF-ZDUSSCGKSA-N 1 0 320.311 3.168 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(C2CCC2)c1 ZINC000925314658 619164312 /nfs/dbraw/zinc/16/43/12/619164312.db2.gz URCRJQQYDYEAJF-GFCCVEGCSA-N 1 0 300.362 3.367 20 5 DGBDRO C[C@@H]1CC2(CC([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CO1 ZINC000897774516 619179271 /nfs/dbraw/zinc/17/92/71/619179271.db2.gz RZWSEDSKZTWSMJ-ZZJLNTIPSA-N 1 0 310.781 3.295 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000897789918 619182926 /nfs/dbraw/zinc/18/29/26/619182926.db2.gz YDAOSMBVPUVPLQ-ZDUSSCGKSA-N 1 0 321.421 3.062 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000923885905 619249966 /nfs/dbraw/zinc/24/99/66/619249966.db2.gz JMEIQMYXSHCMEX-CQSZACIVSA-N 1 0 316.361 3.499 20 5 DGBDRO CCC[C@@H](O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000927018805 619257074 /nfs/dbraw/zinc/25/70/74/619257074.db2.gz OSTBYWYMLCWSSC-HZPDHXFCSA-N 1 0 306.406 3.057 20 5 DGBDRO CC(C)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000927068497 619261913 /nfs/dbraw/zinc/26/19/13/619261913.db2.gz RYINRQLKRFEWKJ-MLGOLLRUSA-N 1 0 302.378 3.376 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCOC1CCSCC1 ZINC000898442320 619276375 /nfs/dbraw/zinc/27/63/75/619276375.db2.gz MJNVYUVWCFANNG-HYXAFXHYSA-N 1 0 322.430 3.110 20 5 DGBDRO C[NH2+][C@H](C)c1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901398758 619495641 /nfs/dbraw/zinc/49/56/41/619495641.db2.gz YQXUCSQOIVHRDD-LLVKDONJSA-N 1 0 316.361 3.130 20 5 DGBDRO C[NH+](C)CCSCc1c(Br)cccc1[N+](=O)[O-] ZINC000901506657 619508985 /nfs/dbraw/zinc/50/89/85/619508985.db2.gz BJYLQLXHARSIOZ-UHFFFAOYSA-N 1 0 319.224 3.152 20 5 DGBDRO CC(C)C(N)=[NH+]OCc1c(Br)cccc1[N+](=O)[O-] ZINC000902727116 619666424 /nfs/dbraw/zinc/66/64/24/619666424.db2.gz SULVVZOJNXWACR-UHFFFAOYSA-N 1 0 316.155 3.012 20 5 DGBDRO COc1cc([C@H](C)NC2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903111974 619715843 /nfs/dbraw/zinc/71/58/43/619715843.db2.gz FGZCJFBTUANZKS-ZDUSSCGKSA-N 1 0 321.421 3.127 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H](CCO)CC(C)C)cc([N+](=O)[O-])c1 ZINC000903104240 619717060 /nfs/dbraw/zinc/71/70/60/619717060.db2.gz GAFWYXIRFMBNSX-UONOGXRCSA-N 1 0 324.421 3.299 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903110638 619718273 /nfs/dbraw/zinc/71/82/73/619718273.db2.gz FGPIHJGOTBIETD-RWMBFGLXSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](CO)CC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903126676 619722605 /nfs/dbraw/zinc/72/26/05/619722605.db2.gz UGEOHGJNNBQMEP-WCQYABFASA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2OC)cc([N+](=O)[O-])c1 ZINC000903130530 619723002 /nfs/dbraw/zinc/72/30/02/619723002.db2.gz CRQYUQRBXIAXKU-MKBNYLNASA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2cccc(C)n2)cc([N+](=O)[O-])c1 ZINC000903165239 619728605 /nfs/dbraw/zinc/72/86/05/619728605.db2.gz QHTBEIILNOUGGX-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO COCCC(C)(C)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903151544 619729566 /nfs/dbraw/zinc/72/95/66/619729566.db2.gz HKRIQOFEZYDNKU-GFCCVEGCSA-N 1 0 310.394 3.317 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000903181246 619731811 /nfs/dbraw/zinc/73/18/11/619731811.db2.gz OCYBBDBXTTVSDE-XDTLVQLUSA-N 1 0 318.295 3.355 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903183277 619732155 /nfs/dbraw/zinc/73/21/55/619732155.db2.gz NMHZJGGAGVIHPR-CHWSQXEVSA-N 1 0 322.405 3.459 20 5 DGBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903194727 619734008 /nfs/dbraw/zinc/73/40/08/619734008.db2.gz QGGIPCPUKDGTSO-OZVIIMIRSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)Cc2ccccn2)cc([N+](=O)[O-])c1 ZINC000903195751 619734194 /nfs/dbraw/zinc/73/41/94/619734194.db2.gz AAGVCPXSACITGE-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1cc([C@H](C)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903199623 619734873 /nfs/dbraw/zinc/73/48/73/619734873.db2.gz KWYPVUMHBLGKFR-GXTWGEPZSA-N 1 0 321.421 3.127 20 5 DGBDRO CC[C@@H](NCc1cc(N(C)C)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000903201233 619735384 /nfs/dbraw/zinc/73/53/84/619735384.db2.gz GNBBUPYJDUIGLR-QGZVFWFLSA-N 1 0 314.389 3.297 20 5 DGBDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CCO1 ZINC000903189595 619737174 /nfs/dbraw/zinc/73/71/74/619737174.db2.gz DEWVZZYCPGZEBR-UXIGCNINSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]Cc2cc(C)nc(C)c2)cc([N+](=O)[O-])c1 ZINC000903190757 619737495 /nfs/dbraw/zinc/73/74/95/619737495.db2.gz ZGTMWCYECKFQML-CYBMUJFWSA-N 1 0 315.373 3.466 20 5 DGBDRO COc1cc([C@H](C)[NH2+]Cc2cc(C)nc(C)c2)cc([N+](=O)[O-])c1 ZINC000903190758 619737553 /nfs/dbraw/zinc/73/75/53/619737553.db2.gz ZGTMWCYECKFQML-ZDUSSCGKSA-N 1 0 315.373 3.466 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903205849 619738383 /nfs/dbraw/zinc/73/83/83/619738383.db2.gz GGTQWIGOPALXEY-XMQPUEPBSA-N 1 0 308.378 3.066 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000903222029 619741357 /nfs/dbraw/zinc/74/13/57/619741357.db2.gz WWRVPCFSKNWSLU-IGCXYCKISA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000903244769 619743170 /nfs/dbraw/zinc/74/31/70/619743170.db2.gz CZJCQENYIAKVBO-VXGBXAGGSA-N 1 0 301.346 3.150 20 5 DGBDRO Cc1cc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000903245018 619743710 /nfs/dbraw/zinc/74/37/10/619743710.db2.gz IBBKBIOBNCKGAL-YPMHNXCESA-N 1 0 302.378 3.091 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000903252094 619745005 /nfs/dbraw/zinc/74/50/05/619745005.db2.gz LZBUESSWSROHET-JGFGOQIWSA-N 1 0 322.380 3.212 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000903252572 619745191 /nfs/dbraw/zinc/74/51/91/619745191.db2.gz NJENYTUCVRBNQM-JVLSTEMRSA-N 1 0 308.353 3.342 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903264158 619747337 /nfs/dbraw/zinc/74/73/37/619747337.db2.gz DZPZMPSEFTWKTB-MJEQTWJJSA-N 1 0 304.390 3.073 20 5 DGBDRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246795 619747871 /nfs/dbraw/zinc/74/78/71/619747871.db2.gz XBFDWURRJMSVCU-RYUDHWBXSA-N 1 0 302.378 3.091 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c2cc([N+](=O)[O-])ccc21 ZINC000903287954 619754516 /nfs/dbraw/zinc/75/45/16/619754516.db2.gz UFDJDOMSTBBTFW-HDTMEZJBSA-N 1 0 314.385 3.083 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000903286643 619754520 /nfs/dbraw/zinc/75/45/20/619754520.db2.gz DYVHQORPQPBMCO-HLSYRSCKSA-N 1 0 320.389 3.223 20 5 DGBDRO COc1cccc(C[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000903286628 619754561 /nfs/dbraw/zinc/75/45/61/619754561.db2.gz DHKWHDRLFOIRDS-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903323302 619755935 /nfs/dbraw/zinc/75/59/35/619755935.db2.gz IWUHIHUZBIUIBV-BLQFLSLASA-N 1 0 319.405 3.175 20 5 DGBDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000903310985 619757493 /nfs/dbraw/zinc/75/74/93/619757493.db2.gz PQYDXZUKBGOMMR-YVEFUNNKSA-N 1 0 318.348 3.292 20 5 DGBDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCSC1 ZINC000903311466 619757793 /nfs/dbraw/zinc/75/77/93/619757793.db2.gz UOIPARDSRKWTLR-SWLSCSKDSA-N 1 0 310.419 3.076 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC(CCO)C1 ZINC000903329462 619762118 /nfs/dbraw/zinc/76/21/18/619762118.db2.gz MHDMAZHZTWVEIW-ROKHWSDSSA-N 1 0 324.446 3.216 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC(CCO)C1)CCCC2 ZINC000903331673 619762507 /nfs/dbraw/zinc/76/25/07/619762507.db2.gz FEBVIQMOYLFJDK-MKTAYPAQSA-N 1 0 304.390 3.113 20 5 DGBDRO C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903367024 619765970 /nfs/dbraw/zinc/76/59/70/619765970.db2.gz GGKCCMMSVSIPIK-MQIPJXDCSA-N 1 0 320.364 3.344 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903438853 619775439 /nfs/dbraw/zinc/77/54/39/619775439.db2.gz YBTWVLHEGRFBQT-YESZJQIVSA-N 1 0 304.390 3.451 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000903440967 619775708 /nfs/dbraw/zinc/77/57/08/619775708.db2.gz WQZLPZSJCYPQFI-VQISRLSMSA-N 1 0 322.430 3.392 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000903960077 619839744 /nfs/dbraw/zinc/83/97/44/619839744.db2.gz WPDPCPJRTJWEKB-INIZCTEOSA-N 1 0 323.824 3.214 20 5 DGBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])s2)no1)CC(C)(C)C ZINC000904051853 619865709 /nfs/dbraw/zinc/86/57/09/619865709.db2.gz XJDIOPAFELIISX-UHFFFAOYSA-N 1 0 310.379 3.184 20 5 DGBDRO C[NH2+][C@@H](CC(C)C)c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000904098000 619874713 /nfs/dbraw/zinc/87/47/13/619874713.db2.gz LRTMIIASXJDSJY-ZDUSSCGKSA-N 1 0 318.377 3.184 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000924797829 619914767 /nfs/dbraw/zinc/91/47/67/619914767.db2.gz IFRODBSHQWCCGH-LCGIIJARSA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000905644885 620016264 /nfs/dbraw/zinc/01/62/64/620016264.db2.gz SXMKQWWWSQUMPU-PXAZEXFGSA-N 1 0 318.348 3.161 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCCC1 ZINC000905852899 620037657 /nfs/dbraw/zinc/03/76/57/620037657.db2.gz OETFSUPWQJMHKS-ZIAGYGMSSA-N 1 0 319.405 3.037 20 5 DGBDRO CC(C)CC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000914566592 620542672 /nfs/dbraw/zinc/54/26/72/620542672.db2.gz BZFBQFKGMZWKQA-UHFFFAOYSA-N 1 0 302.378 3.413 20 5 DGBDRO CC[NH2+]CC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000113656329 620934718 /nfs/dbraw/zinc/93/47/18/620934718.db2.gz WRRWRKHXOILFLT-UHFFFAOYSA-N 1 0 311.813 3.070 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000922048886 620983042 /nfs/dbraw/zinc/98/30/42/620983042.db2.gz QGJKHRNQDLMDST-NUEKZKHPSA-N 1 0 304.390 3.198 20 5 DGBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000922543161 621054087 /nfs/dbraw/zinc/05/40/87/621054087.db2.gz MRIAGEAMVDAVBM-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1C ZINC000922556405 621057102 /nfs/dbraw/zinc/05/71/02/621057102.db2.gz GXHKYNBUVPRZQO-DOMZBBRYSA-N 1 0 315.373 3.037 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000922680012 621076976 /nfs/dbraw/zinc/07/69/76/621076976.db2.gz SLZUXCFYOFIHTA-STQMWFEESA-N 1 0 318.295 3.184 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)cs1 ZINC000922698199 621084182 /nfs/dbraw/zinc/08/41/82/621084182.db2.gz VPRMDLKWQIFBTQ-NXEZZACHSA-N 1 0 324.324 3.246 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000922695477 621085964 /nfs/dbraw/zinc/08/59/64/621085964.db2.gz FTUVVRDDLZAONW-HUUCEWRRSA-N 1 0 310.781 3.297 20 5 DGBDRO Cc1c(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000922898721 621128884 /nfs/dbraw/zinc/12/88/84/621128884.db2.gz ZUOUUDYYVSBCDA-NVXWUHKLSA-N 1 0 304.390 3.198 20 5 DGBDRO CCc1onc(C)c1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000922989159 621144363 /nfs/dbraw/zinc/14/43/63/621144363.db2.gz ZRXQIAQJVRRMCV-SOFGYWHQSA-N 1 0 301.346 3.257 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C2([C@@H]3CCCCO3)CC2)ccc1Cl ZINC000923026550 621148643 /nfs/dbraw/zinc/14/86/43/621148643.db2.gz AWOLAHLSIXBZCD-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533959 621192545 /nfs/dbraw/zinc/19/25/45/621192545.db2.gz PJYMDGMVQCWYTP-WMLDXEAASA-N 1 0 303.406 3.182 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)nc1C ZINC000840785294 621199025 /nfs/dbraw/zinc/19/90/25/621199025.db2.gz XEJIMMZXCUOGFJ-LBPRGKRZSA-N 1 0 300.362 3.040 20 5 DGBDRO CCC(=O)c1ccc(NCC[NH2+]C(CC)CC)c([N+](=O)[O-])c1 ZINC000858608132 621209400 /nfs/dbraw/zinc/20/94/00/621209400.db2.gz HWBXXADUPZPWKV-UHFFFAOYSA-N 1 0 307.394 3.378 20 5 DGBDRO CCO[C@@H](CN(C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000859168429 621256553 /nfs/dbraw/zinc/25/65/53/621256553.db2.gz ONARTKDRAYWMEL-HNNXBMFYSA-N 1 0 312.797 3.495 20 5 DGBDRO CC1(C)CCC[C@@](CO)([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000859615588 621299324 /nfs/dbraw/zinc/29/93/24/621299324.db2.gz RRUHYCPFLJVUMU-MRXNPFEDSA-N 1 0 310.369 3.155 20 5 DGBDRO C/C=C/C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860182725 621378519 /nfs/dbraw/zinc/37/85/19/621378519.db2.gz BRJZIUBQKRAVMV-DTPTURRISA-N 1 0 304.390 3.306 20 5 DGBDRO C[C@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C[N@@H+]1C1CC1 ZINC000754024412 621480314 /nfs/dbraw/zinc/48/03/14/621480314.db2.gz KPAARNOSZPUOPY-UWVGGRQHSA-N 1 0 318.402 3.242 20 5 DGBDRO Cc1ccc(N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000754047789 621482644 /nfs/dbraw/zinc/48/26/44/621482644.db2.gz RRPVVPSGLQLTDK-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000755056091 621549316 /nfs/dbraw/zinc/54/93/16/621549316.db2.gz CQQGXCDWADLPBD-CYBMUJFWSA-N 1 0 324.808 3.497 20 5 DGBDRO CC(C)CC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862481097 621593337 /nfs/dbraw/zinc/59/33/37/621593337.db2.gz RJPWSQDBZUZYGH-LBPRGKRZSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN2C2CCCC2)cc1Cl ZINC000862522752 621596614 /nfs/dbraw/zinc/59/66/14/621596614.db2.gz FVUONAYNEQIUPV-CQSZACIVSA-N 1 0 323.824 3.355 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2c(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000863657387 621695131 /nfs/dbraw/zinc/69/51/31/621695131.db2.gz XENVNOUIBWBYTB-CQSZACIVSA-N 1 0 310.313 3.223 20 5 DGBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839628059 621701987 /nfs/dbraw/zinc/70/19/87/621701987.db2.gz BUKONRASOPHQMT-WBVHZDCISA-N 1 0 316.332 3.136 20 5 DGBDRO CCC[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000757610375 621727798 /nfs/dbraw/zinc/72/77/98/621727798.db2.gz MKFJAMGKKVIFBX-ZDUSSCGKSA-N 1 0 302.378 3.414 20 5 DGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000757797332 621740173 /nfs/dbraw/zinc/74/01/73/621740173.db2.gz VINCTHCUNHZYHP-NOZJJQNGSA-N 1 0 318.402 3.099 20 5 DGBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000758207399 621766637 /nfs/dbraw/zinc/76/66/37/621766637.db2.gz PXBFTSBZRMYKKW-GFCCVEGCSA-N 1 0 311.813 3.477 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2Cc3cccc(O)c3C2)c1 ZINC000758557179 621788991 /nfs/dbraw/zinc/78/89/91/621788991.db2.gz AIUOIDWSIGCOBC-LBPRGKRZSA-N 1 0 318.760 3.211 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000865762086 621990546 /nfs/dbraw/zinc/99/05/46/621990546.db2.gz LFAFNUYNUBTOTN-ALYQMLPJSA-N 1 0 316.401 3.403 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000865784673 621995090 /nfs/dbraw/zinc/99/50/90/621995090.db2.gz HUKCHMTZIKPJFV-HOTGVXAUSA-N 1 0 304.390 3.056 20 5 DGBDRO CCCC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000761279126 621998621 /nfs/dbraw/zinc/99/86/21/621998621.db2.gz CVDVRUREXOZCBH-UHFFFAOYSA-N 1 0 302.378 3.475 20 5 DGBDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000865872251 622012196 /nfs/dbraw/zinc/01/21/96/622012196.db2.gz JSSRAGMDTMDXTC-GXTWGEPZSA-N 1 0 318.373 3.494 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000761510860 622013838 /nfs/dbraw/zinc/01/38/38/622013838.db2.gz HAUSTLRDSBBADY-AWEZNQCLSA-N 1 0 323.824 3.308 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC1CC[NH+](C(C)C)CC1 ZINC000866085944 622043817 /nfs/dbraw/zinc/04/38/17/622043817.db2.gz JPGRDMMPDYNICF-UHFFFAOYSA-N 1 0 323.441 3.042 20 5 DGBDRO Cc1c(C[N@@H+](CCN(C)C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000762295131 622068198 /nfs/dbraw/zinc/06/81/98/622068198.db2.gz XMTHQOVRKMSHJV-UHFFFAOYSA-N 1 0 305.422 3.209 20 5 DGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866275659 622082851 /nfs/dbraw/zinc/08/28/51/622082851.db2.gz DAABHNRHVHGMQF-YWPYICTPSA-N 1 0 312.385 3.052 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866275090 622082878 /nfs/dbraw/zinc/08/28/78/622082878.db2.gz XDKSOSIYUGHDBR-SJORKVTESA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000866284978 622084674 /nfs/dbraw/zinc/08/46/74/622084674.db2.gz JFWLSFTVEHROKQ-YNEHKIRRSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)c1ccncc1 ZINC000866283008 622084681 /nfs/dbraw/zinc/08/46/81/622084681.db2.gz UEGXGYCHWQBMEU-QWHCGFSZSA-N 1 0 317.364 3.453 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)CCCO ZINC000866290017 622086152 /nfs/dbraw/zinc/08/61/52/622086152.db2.gz PVIDDIXZTLTZDD-GFCCVEGCSA-N 1 0 312.385 3.053 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000866289782 622086252 /nfs/dbraw/zinc/08/62/52/622086252.db2.gz LHGLPULOPBTIGI-VMGRFDJRSA-N 1 0 324.396 3.458 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1[N+](=O)[O-] ZINC000762614598 622086689 /nfs/dbraw/zinc/08/66/89/622086689.db2.gz OVHOTKVTIKGKOR-YUELXQCFSA-N 1 0 324.471 3.372 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000762617865 622087301 /nfs/dbraw/zinc/08/73/01/622087301.db2.gz UVXPILAVJIVURK-MGPQQGTHSA-N 1 0 310.444 3.064 20 5 DGBDRO Cc1cccc(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866350801 622100260 /nfs/dbraw/zinc/10/02/60/622100260.db2.gz CIYUPQDSOLRSSL-CYBMUJFWSA-N 1 0 317.364 3.201 20 5 DGBDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866367923 622104466 /nfs/dbraw/zinc/10/44/66/622104466.db2.gz RLVMGMBIGDHMOP-RYUDHWBXSA-N 1 0 320.368 3.232 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(C)CC1(F)F ZINC000866389694 622108975 /nfs/dbraw/zinc/10/89/75/622108975.db2.gz IHGFSHQCXCBTFA-RNCFNFMXSA-N 1 0 302.296 3.300 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1SCCS1 ZINC000866391975 622109238 /nfs/dbraw/zinc/10/92/38/622109238.db2.gz UMSGYIXMLAUULA-VIFPVBQESA-N 1 0 316.423 3.061 20 5 DGBDRO Cc1ncccc1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866398734 622111020 /nfs/dbraw/zinc/11/10/20/622111020.db2.gz PRZBJBQKJCVHKZ-LLVKDONJSA-N 1 0 303.337 3.158 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866448200 622120615 /nfs/dbraw/zinc/12/06/15/622120615.db2.gz BHCGYXZVNYCMQK-BYCMXARLSA-N 1 0 323.368 3.182 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000866508907 622129557 /nfs/dbraw/zinc/12/95/57/622129557.db2.gz SCRFKZPFWJPIJW-NUTKFTJISA-N 1 0 304.390 3.451 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866529653 622132411 /nfs/dbraw/zinc/13/24/11/622132411.db2.gz IANZAAGLLDEHEZ-BBRMVZONSA-N 1 0 316.401 3.379 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866532245 622133678 /nfs/dbraw/zinc/13/36/78/622133678.db2.gz VOEMHIFYHHDGQW-OCCSQVGLSA-N 1 0 319.405 3.034 20 5 DGBDRO C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccc([N+](=O)[O-])cc1 ZINC000866572178 622140822 /nfs/dbraw/zinc/14/08/22/622140822.db2.gz YLYYWVHOYQGCSR-ZDUSSCGKSA-N 1 0 324.384 3.375 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1Cl ZINC000763477131 622147447 /nfs/dbraw/zinc/14/74/47/622147447.db2.gz CIJZLFMWOPRPAG-LBPRGKRZSA-N 1 0 318.760 3.211 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000866615018 622147436 /nfs/dbraw/zinc/14/74/36/622147436.db2.gz SBQNPOCHOCTATG-XHDPSFHLSA-N 1 0 300.362 3.057 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H](O)C1CCCC1 ZINC000866638014 622151809 /nfs/dbraw/zinc/15/18/09/622151809.db2.gz CGEKZTVQCGNOQX-SJCJKPOMSA-N 1 0 324.396 3.196 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705557 622158831 /nfs/dbraw/zinc/15/88/31/622158831.db2.gz CMBGDASQZFUYAM-SUMWQHHRSA-N 1 0 305.422 3.353 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@@H](C(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765083379 622244810 /nfs/dbraw/zinc/24/48/10/622244810.db2.gz ZETVHTUBIVXKJD-CYBMUJFWSA-N 1 0 302.378 3.188 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)Cc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000765439777 622265280 /nfs/dbraw/zinc/26/52/80/622265280.db2.gz LIHMIDZNBHTKOI-DYVFJYSZSA-N 1 0 314.389 3.447 20 5 DGBDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765846218 622290777 /nfs/dbraw/zinc/29/07/77/622290777.db2.gz VXROWHMRNARNJZ-QZTJIDSGSA-N 1 0 312.369 3.214 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CSc3ccccc32)cc1 ZINC000765849362 622291400 /nfs/dbraw/zinc/29/14/00/622291400.db2.gz PLYZLWYGNWOYTR-HUUCEWRRSA-N 1 0 316.382 3.065 20 5 DGBDRO CC(C)[C@@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766109115 622306803 /nfs/dbraw/zinc/30/68/03/622306803.db2.gz NCYHNRXWMJGHFY-AWEZNQCLSA-N 1 0 305.422 3.445 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766248914 622315161 /nfs/dbraw/zinc/31/51/61/622315161.db2.gz JGTHFGNDGBEZHM-VXGBXAGGSA-N 1 0 311.813 3.163 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000766376681 622325764 /nfs/dbraw/zinc/32/57/64/622325764.db2.gz ZGELBFCOGVBDDH-NSHDSACASA-N 1 0 319.386 3.254 20 5 DGBDRO CCC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000766735993 622350218 /nfs/dbraw/zinc/35/02/18/622350218.db2.gz XXZQVFLNPRMLQZ-DOTOQJQBSA-N 1 0 315.373 3.154 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881810387 625568230 /nfs/dbraw/zinc/56/82/30/625568230.db2.gz QSOPVGKHUVBJGM-LBPRGKRZSA-N 1 0 310.373 3.195 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccccc2-c2ccccc2)c1 ZINC000769425271 622527187 /nfs/dbraw/zinc/52/71/87/622527187.db2.gz ZQDARRAGHCCYNY-UHFFFAOYSA-N 1 0 322.368 3.248 20 5 DGBDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872023863 622757429 /nfs/dbraw/zinc/75/74/29/622757429.db2.gz WIPFZAFYTSIFGF-YUTCNCBUSA-N 1 0 307.369 3.011 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872024968 622759368 /nfs/dbraw/zinc/75/93/68/622759368.db2.gz XRUVQVKQYJAIHW-LRDDRELGSA-N 1 0 318.348 3.427 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CCOCC1 ZINC000872031654 622762545 /nfs/dbraw/zinc/76/25/45/622762545.db2.gz SEMCXJSTASFKIZ-LLVKDONJSA-N 1 0 310.419 3.394 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@H+](C)C(C)C ZINC000872031504 622762827 /nfs/dbraw/zinc/76/28/27/622762827.db2.gz PRFOTBSOINKTBR-LBPRGKRZSA-N 1 0 311.451 3.308 20 5 DGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(O)c1F ZINC000872038321 622767828 /nfs/dbraw/zinc/76/78/28/622767828.db2.gz KDHHOLUHVGVDCL-NSHDSACASA-N 1 0 304.321 3.333 20 5 DGBDRO C[C@H]([NH2+]CCCc1nccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872046258 622772484 /nfs/dbraw/zinc/77/24/84/622772484.db2.gz VWJFPAUHPJRHQN-JTQLQIEISA-N 1 0 309.366 3.474 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000872048744 622774340 /nfs/dbraw/zinc/77/43/40/622774340.db2.gz LGPLXZGSWCHWJW-HZMBPMFUSA-N 1 0 310.419 3.128 20 5 DGBDRO C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048553 622774940 /nfs/dbraw/zinc/77/49/40/622774940.db2.gz JMFNIVAPFFUFOS-FZMZJTMJSA-N 1 0 310.369 3.326 20 5 DGBDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872049832 622775851 /nfs/dbraw/zinc/77/58/51/622775851.db2.gz WDMOWAZPDVRVRZ-LRDDRELGSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(O)ccc1F ZINC000872052236 622777172 /nfs/dbraw/zinc/77/71/72/622777172.db2.gz RIZRGLBJQHUAHF-NSHDSACASA-N 1 0 304.321 3.333 20 5 DGBDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872052323 622777562 /nfs/dbraw/zinc/77/75/62/622777562.db2.gz CFMILIICNHOAFJ-NHYWBVRUSA-N 1 0 310.369 3.182 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)CC1CC1 ZINC000872053648 622778293 /nfs/dbraw/zinc/77/82/93/622778293.db2.gz YWSPOGMIUJLQBX-CMPLNLGQSA-N 1 0 310.419 3.128 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000872062802 622784284 /nfs/dbraw/zinc/78/42/84/622784284.db2.gz QEFAKSKTKMQOTH-VXGBXAGGSA-N 1 0 310.419 3.394 20 5 DGBDRO CCOC(CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])OCC ZINC000872064565 622784942 /nfs/dbraw/zinc/78/49/42/622784942.db2.gz HZXQSAHARZXYCO-NSHDSACASA-N 1 0 314.357 3.174 20 5 DGBDRO CO[C@H](CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F ZINC000872064962 622785622 /nfs/dbraw/zinc/78/56/22/622785622.db2.gz PZMBXVLHXWOBDI-GZMMTYOYSA-N 1 0 324.274 3.352 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)C(C)C ZINC000872071816 622789441 /nfs/dbraw/zinc/78/94/41/622789441.db2.gz YAKYNBJTHISEKF-NWDGAFQWSA-N 1 0 312.435 3.232 20 5 DGBDRO C[C@H]([NH2+]CC1(CF)CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075244 622791018 /nfs/dbraw/zinc/79/10/18/622791018.db2.gz BCBMBJAREDBOPP-NSHDSACASA-N 1 0 314.332 3.151 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(N(C)C)CC1 ZINC000872078690 622792803 /nfs/dbraw/zinc/79/28/03/622792803.db2.gz DDHLJWCRQSDEPE-NSHDSACASA-N 1 0 309.435 3.062 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000872105252 622807792 /nfs/dbraw/zinc/80/77/92/622807792.db2.gz FEJXVGOEPFIIGZ-DGCLKSJQSA-N 1 0 308.378 3.069 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872109083 622811743 /nfs/dbraw/zinc/81/17/43/622811743.db2.gz HDNUZGDLVCUWTD-KBEGMRNHSA-N 1 0 318.417 3.463 20 5 DGBDRO COc1cccc(C[C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000872129539 622823446 /nfs/dbraw/zinc/82/34/46/622823446.db2.gz KWKIXKHHVXFUJB-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000872129592 622823820 /nfs/dbraw/zinc/82/38/20/622823820.db2.gz QQFYXPSZWBGSEX-SFDCQRBFSA-N 1 0 320.389 3.223 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CCC3(CC3)CC2)c1 ZINC000872223618 622861885 /nfs/dbraw/zinc/86/18/85/622861885.db2.gz USAXADFEZNRULT-MRXNPFEDSA-N 1 0 304.390 3.188 20 5 DGBDRO CC1(C)C[NH2+]CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000872251818 622867309 /nfs/dbraw/zinc/86/73/09/622867309.db2.gz NQYVCJGUDVWUOE-GFCCVEGCSA-N 1 0 311.813 3.116 20 5 DGBDRO CC[C@@H](CSC)[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000773257489 623006377 /nfs/dbraw/zinc/00/63/77/623006377.db2.gz YDIUFYVRDUMJMO-LBPRGKRZSA-N 1 0 322.434 3.284 20 5 DGBDRO Cc1nc2ccccc2n1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873009589 623016714 /nfs/dbraw/zinc/01/67/14/623016714.db2.gz ORNAOMDVANLVNB-UHFFFAOYSA-N 1 0 324.384 3.351 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000873056947 623026772 /nfs/dbraw/zinc/02/67/72/623026772.db2.gz LICFQERLJYWGEM-UHFFFAOYSA-N 1 0 304.321 3.346 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](CO)c1ccccc1 ZINC000873070838 623030514 /nfs/dbraw/zinc/03/05/14/623030514.db2.gz BHBTUGUPVXLHOA-INIZCTEOSA-N 1 0 314.385 3.077 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](CO)c1ccccc1 ZINC000873070840 623030559 /nfs/dbraw/zinc/03/05/59/623030559.db2.gz BHBTUGUPVXLHOA-MRXNPFEDSA-N 1 0 314.385 3.077 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873132736 623043443 /nfs/dbraw/zinc/04/34/43/623043443.db2.gz DOCOXELNXHYKPJ-RDTXWAMCSA-N 1 0 314.385 3.289 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c(Cl)c1 ZINC000873155355 623053650 /nfs/dbraw/zinc/05/36/50/623053650.db2.gz DOVRYJIDAAFNHS-VZJVUDMVSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOc1cccnc1)CCC2 ZINC000774194335 623118924 /nfs/dbraw/zinc/11/89/24/623118924.db2.gz XEVTVCHSDGOXKW-QGZVFWFLSA-N 1 0 313.357 3.036 20 5 DGBDRO C[C@@H]1CCCN1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774206330 623120045 /nfs/dbraw/zinc/12/00/45/623120045.db2.gz AYEVTWOYHZTWKY-CXAGYDPISA-N 1 0 303.406 3.046 20 5 DGBDRO C[C@H]1CCCN1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774206332 623120170 /nfs/dbraw/zinc/12/01/70/623120170.db2.gz AYEVTWOYHZTWKY-GUYCJALGSA-N 1 0 303.406 3.046 20 5 DGBDRO CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000774536240 623158385 /nfs/dbraw/zinc/15/83/85/623158385.db2.gz LDLUWYRPRVJPMS-SFHVURJKSA-N 1 0 311.385 3.306 20 5 DGBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774637190 623168879 /nfs/dbraw/zinc/16/88/79/623168879.db2.gz MVOLMZUNUFYBLS-VHSXEESVSA-N 1 0 308.769 3.286 20 5 DGBDRO C[C@H]1C[C@H](C)[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639255 623169198 /nfs/dbraw/zinc/16/91/98/623169198.db2.gz UYHFMAYOFRIYOJ-UWVGGRQHSA-N 1 0 308.769 3.286 20 5 DGBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775176940 623238815 /nfs/dbraw/zinc/23/88/15/623238815.db2.gz NRXZAMBNQHOLDI-OAHLLOKOSA-N 1 0 312.797 3.375 20 5 DGBDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775187559 623239406 /nfs/dbraw/zinc/23/94/06/623239406.db2.gz OMIOPQHISLUPJV-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000125199674 623382053 /nfs/dbraw/zinc/38/20/53/623382053.db2.gz XVDADVCFOCXGML-HUUCEWRRSA-N 1 0 304.346 3.352 20 5 DGBDRO Cc1ccccc1C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272789 623405152 /nfs/dbraw/zinc/40/51/52/623405152.db2.gz WNIPLQCWWGDDJH-KRWDZBQOSA-N 1 0 300.358 3.069 20 5 DGBDRO CC(C)C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278458 623405920 /nfs/dbraw/zinc/40/59/20/623405920.db2.gz SYGUKXUQQPKREA-WMLDXEAASA-N 1 0 306.406 3.386 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000776575976 623441871 /nfs/dbraw/zinc/44/18/71/623441871.db2.gz XSVSOFQOHIAJIS-MRXNPFEDSA-N 1 0 318.398 3.354 20 5 DGBDRO CC(C)CC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776587074 623444282 /nfs/dbraw/zinc/44/42/82/623444282.db2.gz SMAINDXLYORADH-QGZVFWFLSA-N 1 0 306.406 3.386 20 5 DGBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000776591240 623445052 /nfs/dbraw/zinc/44/50/52/623445052.db2.gz HZCDDFHBMDEETR-FSPWUOQZSA-N 1 0 312.369 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000776590742 623445371 /nfs/dbraw/zinc/44/53/71/623445371.db2.gz FWENHYWPZFONFB-SJORKVTESA-N 1 0 316.332 3.214 20 5 DGBDRO CO[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000777013005 623485438 /nfs/dbraw/zinc/48/54/38/623485438.db2.gz TVSWEDRJQJJFSW-MFKMUULPSA-N 1 0 320.311 3.083 20 5 DGBDRO C[C@H]1C[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@H]1C ZINC000777956171 623590152 /nfs/dbraw/zinc/59/01/52/623590152.db2.gz CRGOMGJJJQNNRL-STQMWFEESA-N 1 0 300.362 3.004 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000126053851 623659538 /nfs/dbraw/zinc/65/95/38/623659538.db2.gz DXISBEVXZGRDAK-LLVKDONJSA-N 1 0 301.302 3.354 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000876620374 623661944 /nfs/dbraw/zinc/66/19/44/623661944.db2.gz MWKNGTZSMYBMQU-CQSZACIVSA-N 1 0 314.389 3.314 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000876680954 623680241 /nfs/dbraw/zinc/68/02/41/623680241.db2.gz KDCXGPBCAXLYKN-HNNXBMFYSA-N 1 0 314.389 3.245 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCCC3CCCC3)C2)c1 ZINC000877063243 623780203 /nfs/dbraw/zinc/78/02/03/623780203.db2.gz GXBPMUMIUUROKI-UHFFFAOYSA-N 1 0 306.410 3.445 20 5 DGBDRO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)Cc1cccs1 ZINC000877069614 623783589 /nfs/dbraw/zinc/78/35/89/623783589.db2.gz BTSVMBMTFJCNNK-HIFPTAJRSA-N 1 0 320.418 3.025 20 5 DGBDRO C[NH+]1CCC(C)(CNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000779913106 623831286 /nfs/dbraw/zinc/83/12/86/623831286.db2.gz JXXFEJULGSFHHY-UHFFFAOYSA-N 1 0 320.418 3.348 20 5 DGBDRO CCCC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000877531216 623927902 /nfs/dbraw/zinc/92/79/02/623927902.db2.gz JXTPQKGVDYOQNO-ZBCRRDGASA-N 1 0 306.410 3.443 20 5 DGBDRO CC(C)[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000780499351 623940462 /nfs/dbraw/zinc/94/04/62/623940462.db2.gz SIGXGKRORVQKRY-CQSZACIVSA-N 1 0 302.378 3.270 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C)C(C)(C)CC1 ZINC000877701697 623997826 /nfs/dbraw/zinc/99/78/26/623997826.db2.gz VASUHUVIQVBUNR-QINSGFPZSA-N 1 0 317.433 3.414 20 5 DGBDRO CC[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(C)c1)[NH+](CC)CC ZINC000781170425 624034132 /nfs/dbraw/zinc/03/41/32/624034132.db2.gz OLUJBKJEYOLKTO-CQSZACIVSA-N 1 0 308.378 3.067 20 5 DGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878366652 624258405 /nfs/dbraw/zinc/25/84/05/624258405.db2.gz VEWISHSTTIDNFC-WDEREUQCSA-N 1 0 304.350 3.169 20 5 DGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878453332 624281536 /nfs/dbraw/zinc/28/15/36/624281536.db2.gz RTPKSECIVOQMCB-DGCLKSJQSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000782944873 624293313 /nfs/dbraw/zinc/29/33/13/624293313.db2.gz LKBMYMXKPFJPMO-KGLIPLIRSA-N 1 0 312.369 3.497 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC2(CCC2)O1 ZINC000878566368 624309734 /nfs/dbraw/zinc/30/97/34/624309734.db2.gz ZOIAPVMDEYUUGA-INIZCTEOSA-N 1 0 304.390 3.171 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878598314 624318400 /nfs/dbraw/zinc/31/84/00/624318400.db2.gz CHMKOSDZACUXSU-HLLBOEOZSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878710161 624345082 /nfs/dbraw/zinc/34/50/82/624345082.db2.gz AEWOLGHUHTXZDB-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1Cl ZINC000783535173 624363589 /nfs/dbraw/zinc/36/35/89/624363589.db2.gz NLBIXVIRPOXLJA-LBPRGKRZSA-N 1 0 320.780 3.351 20 5 DGBDRO Cc1nc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cs1 ZINC000783596951 624373371 /nfs/dbraw/zinc/37/33/71/624373371.db2.gz ZQMYGVZVLMKEGZ-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2Cc3ccccc3O2)cc1Cl ZINC000783597474 624373518 /nfs/dbraw/zinc/37/35/18/624373518.db2.gz FIDLGBCVNNYQMK-CYBMUJFWSA-N 1 0 318.760 3.342 20 5 DGBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783663648 624380947 /nfs/dbraw/zinc/38/09/47/624380947.db2.gz BZDLPCVPDIGJOU-OAHLLOKOSA-N 1 0 311.813 3.020 20 5 DGBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO[C@@H]1C1CC1 ZINC000783667610 624381237 /nfs/dbraw/zinc/38/12/37/624381237.db2.gz RXGAKBBTRVHZBI-CABCVRRESA-N 1 0 310.781 3.295 20 5 DGBDRO Cc1nn(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000784022869 624423663 /nfs/dbraw/zinc/42/36/63/624423663.db2.gz CRRLNGUXJUOQIR-INIZCTEOSA-N 1 0 314.389 3.164 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)cs1 ZINC000879241791 624458122 /nfs/dbraw/zinc/45/81/22/624458122.db2.gz NTAXYSRWTFUOFO-GOEBONIOSA-N 1 0 318.398 3.354 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)cs1 ZINC000879241796 624458572 /nfs/dbraw/zinc/45/85/72/624458572.db2.gz NTAXYSRWTFUOFO-ZBFHGGJFSA-N 1 0 318.398 3.354 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@@H]3CSC[C@H]3C2)c(F)c1 ZINC000879566362 624592613 /nfs/dbraw/zinc/59/26/13/624592613.db2.gz UOAHAKFZBVWFBK-NXEZZACHSA-N 1 0 314.357 3.058 20 5 DGBDRO COC(=O)[C@]12CCC[C@H]1[N@@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000880179782 624822570 /nfs/dbraw/zinc/82/25/70/624822570.db2.gz PUVPHMCWTRZVFD-MJEQTWJJSA-N 1 0 318.373 3.073 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCC(C)CC1 ZINC000786574738 624923722 /nfs/dbraw/zinc/92/37/22/624923722.db2.gz ONWOBQDZSMUHCZ-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO C[C@H]1c2sccc2CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880377074 624943015 /nfs/dbraw/zinc/94/30/15/624943015.db2.gz NCKOTICJXLEKTN-XHDPSFHLSA-N 1 0 318.398 3.309 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)c1ccc(C)o1 ZINC000786810898 624955324 /nfs/dbraw/zinc/95/53/24/624955324.db2.gz BSDGTRZWOXTDDA-LJEUOOAZSA-N 1 0 316.357 3.223 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[S@@](=O)C(C)(C)C ZINC000786814460 624955893 /nfs/dbraw/zinc/95/58/93/624955893.db2.gz OHSOOBSSIIHLGR-VPAPRSNLSA-N 1 0 324.446 3.135 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC[C@H]1C ZINC000786818463 624956036 /nfs/dbraw/zinc/95/60/36/624956036.db2.gz YSFUMAXFDSFREA-ATGUSINASA-N 1 0 303.406 3.072 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(C)(O)CC1 ZINC000786813601 624956311 /nfs/dbraw/zinc/95/63/11/624956311.db2.gz CZHHNPIFBTVWSL-JLHYYAGUSA-N 1 0 304.390 3.281 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC3(CCCCO3)CC2)cc1 ZINC000880454974 624959516 /nfs/dbraw/zinc/95/95/16/624959516.db2.gz LKGUBHSTYRCSRV-UHFFFAOYSA-N 1 0 304.390 3.172 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880538321 624974202 /nfs/dbraw/zinc/97/42/02/624974202.db2.gz MVFKOAHBYUHBQM-BBRMVZONSA-N 1 0 312.373 3.034 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128593095 625022988 /nfs/dbraw/zinc/02/29/88/625022988.db2.gz OZDXVOQXMZBWJO-VXGBXAGGSA-N 1 0 323.368 3.325 20 5 DGBDRO C[C@@H](CO)[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000788466172 625184961 /nfs/dbraw/zinc/18/49/61/625184961.db2.gz FTFBVWJKGJKZLM-NSHDSACASA-N 1 0 312.797 3.374 20 5 DGBDRO CC(C)(C)CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000788479642 625193692 /nfs/dbraw/zinc/19/36/92/625193692.db2.gz YORJOELQBFPDGJ-UHFFFAOYSA-N 1 0 323.412 3.288 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000788541349 625212542 /nfs/dbraw/zinc/21/25/42/625212542.db2.gz VVXSCAKDGZRFKG-ROUUACIJSA-N 1 0 314.385 3.443 20 5 DGBDRO CCc1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000788581273 625219805 /nfs/dbraw/zinc/21/98/05/625219805.db2.gz VKANRNBIMYDHQL-INIZCTEOSA-N 1 0 314.389 3.393 20 5 DGBDRO CC(C)C[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788578337 625220016 /nfs/dbraw/zinc/22/00/16/625220016.db2.gz SANTUUFDCNKMJN-CZUORRHYSA-N 1 0 306.406 3.314 20 5 DGBDRO C[C@@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788596666 625223829 /nfs/dbraw/zinc/22/38/29/625223829.db2.gz ZSAMHVVALKPASF-HZSPNIEDSA-N 1 0 320.437 3.091 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCOC2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000788595511 625224142 /nfs/dbraw/zinc/22/41/42/625224142.db2.gz DGWBUYUZUYXEGV-MRXNPFEDSA-N 1 0 304.390 3.476 20 5 DGBDRO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788596668 625224159 /nfs/dbraw/zinc/22/41/59/625224159.db2.gz ZSAMHVVALKPASF-MCIONIFRSA-N 1 0 320.437 3.091 20 5 DGBDRO C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788740844 625255377 /nfs/dbraw/zinc/25/53/77/625255377.db2.gz RICNWDRSDMDMMT-JHJVBQTASA-N 1 0 307.394 3.033 20 5 DGBDRO C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788775358 625264222 /nfs/dbraw/zinc/26/42/22/625264222.db2.gz IDSMGXVXMAWQFI-YVEFUNNKSA-N 1 0 321.421 3.159 20 5 DGBDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788775357 625264531 /nfs/dbraw/zinc/26/45/31/625264531.db2.gz IDSMGXVXMAWQFI-SJKOYZFVSA-N 1 0 321.421 3.159 20 5 DGBDRO C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788775356 625265013 /nfs/dbraw/zinc/26/50/13/625265013.db2.gz IDSMGXVXMAWQFI-SJCJKPOMSA-N 1 0 321.421 3.159 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000790995901 625733796 /nfs/dbraw/zinc/73/37/96/625733796.db2.gz DWUKYWIORFFAJD-WMLDXEAASA-N 1 0 306.406 3.444 20 5 DGBDRO CCCN(CC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796459245 626052222 /nfs/dbraw/zinc/05/22/22/626052222.db2.gz MQDHNOGJSCFUID-UHFFFAOYSA-N 1 0 323.412 3.432 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796524085 626058839 /nfs/dbraw/zinc/05/88/39/626058839.db2.gz XUDKGDYQQZLZJY-AWEZNQCLSA-N 1 0 311.813 3.212 20 5 DGBDRO CN(CCC[NH+]1CCCC1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000798405019 626216186 /nfs/dbraw/zinc/21/61/86/626216186.db2.gz VZHKFXRQHQJNSU-UHFFFAOYSA-N 1 0 320.418 3.127 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000798962950 626264107 /nfs/dbraw/zinc/26/41/07/626264107.db2.gz UBEZGRZDRZEWQQ-YERXGYGTSA-N 1 0 309.369 3.493 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190116 626279256 /nfs/dbraw/zinc/27/92/56/626279256.db2.gz KKGAJYVEUGYRBN-GFCCVEGCSA-N 1 0 301.321 3.118 20 5 DGBDRO C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000799731027 626325512 /nfs/dbraw/zinc/32/55/12/626325512.db2.gz KVJAYDURNZOBSK-WMLDXEAASA-N 1 0 314.385 3.239 20 5 DGBDRO CN(C)c1cc[nH+]c(NCc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000799762417 626327788 /nfs/dbraw/zinc/32/77/88/626327788.db2.gz YTTHNWSSQCEXLU-UHFFFAOYSA-N 1 0 306.753 3.321 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000800847714 626379202 /nfs/dbraw/zinc/37/92/02/626379202.db2.gz HYGLZGIZIPJRJM-AWEZNQCLSA-N 1 0 306.410 3.244 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000801600825 626411869 /nfs/dbraw/zinc/41/18/69/626411869.db2.gz UITBXPWHJVBZHH-UHFFFAOYSA-N 1 0 315.329 3.178 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000803854569 626644686 /nfs/dbraw/zinc/64/46/86/626644686.db2.gz UHDPZJMYQNEMIT-CYBMUJFWSA-N 1 0 324.352 3.042 20 5 DGBDRO C[C@H](OC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000803854846 626644726 /nfs/dbraw/zinc/64/47/26/626644726.db2.gz BITLOWCSQNNXIY-KBPBESRZSA-N 1 0 320.389 3.464 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000883320303 626646746 /nfs/dbraw/zinc/64/67/46/626646746.db2.gz HVCXIFBVIODDCU-JHNDHUHGSA-N 1 0 318.417 3.321 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883364591 626662898 /nfs/dbraw/zinc/66/28/98/626662898.db2.gz JUDBLAJGBIIQNQ-VFQAQYNWSA-N 1 0 302.374 3.299 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000883369018 626663656 /nfs/dbraw/zinc/66/36/56/626663656.db2.gz HSEDJHRYTRNVMR-XFJVYGCCSA-N 1 0 308.353 3.486 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC3(COC3)CC2)c(Cl)c1 ZINC000883389078 626670365 /nfs/dbraw/zinc/67/03/65/626670365.db2.gz JSYFFTSIQCFJNX-UHFFFAOYSA-N 1 0 310.781 3.297 20 5 DGBDRO CCCC[NH+]1CCC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804356130 626673038 /nfs/dbraw/zinc/67/30/38/626673038.db2.gz BALSDSHNSLRGMC-UHFFFAOYSA-N 1 0 322.365 3.179 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000804506857 626688507 /nfs/dbraw/zinc/68/85/07/626688507.db2.gz QASFZAJJHIPOGP-AWEZNQCLSA-N 1 0 319.405 3.108 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)C[NH+]1CCCC1 ZINC000804648926 626699784 /nfs/dbraw/zinc/69/97/84/626699784.db2.gz ONHFWLCGBWJCJV-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000800170784 626817762 /nfs/dbraw/zinc/81/77/62/626817762.db2.gz YALFKQCXNXVSSX-UHFFFAOYSA-N 1 0 314.769 3.137 20 5 DGBDRO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000840181960 626922700 /nfs/dbraw/zinc/92/27/00/626922700.db2.gz MUYFTWWODQDDMO-IAGOWNOFSA-N 1 0 314.389 3.407 20 5 DGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809703694 626939122 /nfs/dbraw/zinc/93/91/22/626939122.db2.gz OIXTUOYWHPEPKM-TZMCWYRMSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000809736429 626943525 /nfs/dbraw/zinc/94/35/25/626943525.db2.gz UQPAMLFHINAZDB-UHFFFAOYSA-N 1 0 303.337 3.008 20 5 DGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767510 626949627 /nfs/dbraw/zinc/94/96/27/626949627.db2.gz NDUYGPDBLGRYNB-DZGCQCFKSA-N 1 0 323.824 3.164 20 5 DGBDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809768003 626950365 /nfs/dbraw/zinc/95/03/65/626950365.db2.gz ZVVTVEYJKBAFEP-LBPRGKRZSA-N 1 0 300.786 3.087 20 5 DGBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809790145 626953896 /nfs/dbraw/zinc/95/38/96/626953896.db2.gz AOLNLJGEQFFRPI-OAHLLOKOSA-N 1 0 312.797 3.233 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CCO)C1CC1 ZINC000809976952 626965257 /nfs/dbraw/zinc/96/52/57/626965257.db2.gz XWJZKINMNMNZBC-LBPRGKRZSA-N 1 0 319.188 3.152 20 5 DGBDRO Cc1c(OC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000810534712 627012859 /nfs/dbraw/zinc/01/28/59/627012859.db2.gz BHZKNFVMGAVHIA-INIZCTEOSA-N 1 0 324.352 3.021 20 5 DGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@]12CCOC2 ZINC000885965904 627072241 /nfs/dbraw/zinc/07/22/41/627072241.db2.gz YAXLLUKKQSHDKT-NVXWUHKLSA-N 1 0 304.390 3.232 20 5 DGBDRO CC(C)C[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000137072761 627105163 /nfs/dbraw/zinc/10/51/63/627105163.db2.gz RIBKHASDUDZQGX-PBHICJAKSA-N 1 0 306.406 3.386 20 5 DGBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886116205 627107865 /nfs/dbraw/zinc/10/78/65/627107865.db2.gz COSAVBCTVOJUPT-INIZCTEOSA-N 1 0 317.364 3.486 20 5 DGBDRO Cc1ccccc1[C@@H](CO)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000886431567 627147621 /nfs/dbraw/zinc/14/76/21/627147621.db2.gz ARQWZFFEMYFKAL-CQSZACIVSA-N 1 0 306.387 3.130 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)[C@H]1c1ccccc1 ZINC000886540162 627159398 /nfs/dbraw/zinc/15/93/98/627159398.db2.gz ABUIPLUSLQMOEF-DYVFJYSZSA-N 1 0 314.389 3.183 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC000886679479 627188637 /nfs/dbraw/zinc/18/86/37/627188637.db2.gz XWILTOINSCSIMG-OAHLLOKOSA-N 1 0 312.373 3.073 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000886703337 627194904 /nfs/dbraw/zinc/19/49/04/627194904.db2.gz SWMQXPWAOPTSKC-NEPJUHHUSA-N 1 0 308.353 3.344 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000886707461 627195289 /nfs/dbraw/zinc/19/52/89/627195289.db2.gz IWIWRGMGFYYKPU-UHFFFAOYSA-N 1 0 303.406 3.045 20 5 DGBDRO C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000886717699 627197337 /nfs/dbraw/zinc/19/73/37/627197337.db2.gz GQCZRJASMMUPSF-AAEUAGOBSA-N 1 0 307.394 3.033 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)ccc1Cl ZINC000886822581 627208890 /nfs/dbraw/zinc/20/88/90/627208890.db2.gz RVXRTQFUDYZEOL-IUODEOHRSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886830681 627209856 /nfs/dbraw/zinc/20/98/56/627209856.db2.gz WBSWWPXOEMLYPQ-ABAIWWIYSA-N 1 0 310.781 3.249 20 5 DGBDRO O=C(C[NH2+]C1(C2CC2)CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000887146457 627229544 /nfs/dbraw/zinc/22/95/44/627229544.db2.gz XMEQYRGCAOSFED-UHFFFAOYSA-N 1 0 323.780 3.109 20 5 DGBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811491877 627281141 /nfs/dbraw/zinc/28/11/41/627281141.db2.gz RJBWYJSXYOMGSE-GHMZBOCLSA-N 1 0 319.188 3.151 20 5 DGBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000811518226 627286254 /nfs/dbraw/zinc/28/62/54/627286254.db2.gz HJLINVDCKBITJI-CQSZACIVSA-N 1 0 312.797 3.135 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811868924 627331755 /nfs/dbraw/zinc/33/17/55/627331755.db2.gz ZMYZJAIGDHAUEQ-LLVKDONJSA-N 1 0 310.354 3.035 20 5 DGBDRO Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000813636363 627505273 /nfs/dbraw/zinc/50/52/73/627505273.db2.gz WQUTYQCINNBUQF-HNNXBMFYSA-N 1 0 309.797 3.089 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c(F)c1 ZINC000813797218 627512821 /nfs/dbraw/zinc/51/28/21/627512821.db2.gz UIHZCNKBZQAXAW-OAHLLOKOSA-N 1 0 324.739 3.211 20 5 DGBDRO Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000814852663 627598440 /nfs/dbraw/zinc/59/84/40/627598440.db2.gz JUKMBPPBNDNQKA-ZDUSSCGKSA-N 1 0 323.824 3.479 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566217 627685384 /nfs/dbraw/zinc/68/53/84/627685384.db2.gz LYWYDVXQSITBGP-NSHDSACASA-N 1 0 319.336 3.046 20 5 DGBDRO CCc1cnc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815584536 627687576 /nfs/dbraw/zinc/68/75/76/627687576.db2.gz HGRBADQSVIOPHV-SNVBAGLBSA-N 1 0 320.418 3.089 20 5 DGBDRO CCO[C@@H](CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000815585207 627687908 /nfs/dbraw/zinc/68/79/08/627687908.db2.gz AWCNTQIJJJUMDK-WBMJQRKESA-N 1 0 309.410 3.279 20 5 DGBDRO C[C@@H]([NH2+][C@H](CCO)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588860 627688490 /nfs/dbraw/zinc/68/84/90/627688490.db2.gz AQMSXSYMFRBYFX-MLGOLLRUSA-N 1 0 321.421 3.159 20 5 DGBDRO C[C@H]([NH2+]CCSCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600017 627689830 /nfs/dbraw/zinc/68/98/30/627689830.db2.gz IZWOWPBCUWDHDC-QMMMGPOBSA-N 1 0 323.340 3.123 20 5 DGBDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815617323 627690796 /nfs/dbraw/zinc/69/07/96/627690796.db2.gz KUOPBDYNCJZSCV-YMRXKLBXSA-N 1 0 319.405 3.033 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000925152277 627713857 /nfs/dbraw/zinc/71/38/57/627713857.db2.gz HZKSWSALRDODBV-ZBFHGGJFSA-N 1 0 306.406 3.058 20 5 DGBDRO C[C@@H]([NH3+])[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000925582122 627758581 /nfs/dbraw/zinc/75/85/81/627758581.db2.gz XNNKRJGVSQDKLY-BDJLRTHQSA-N 1 0 319.792 3.426 20 5 DGBDRO C[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000817864741 627951782 /nfs/dbraw/zinc/95/17/82/627951782.db2.gz CXMYINUPASWIQU-NTZNESFSSA-N 1 0 311.813 3.053 20 5 DGBDRO [NH3+][C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000817907772 627958702 /nfs/dbraw/zinc/95/87/02/627958702.db2.gz VPTQYYSXCHWYBN-HZPDHXFCSA-N 1 0 317.776 3.483 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1[N+](=O)[O-] ZINC000926942737 627986160 /nfs/dbraw/zinc/98/61/60/627986160.db2.gz PLOKLPZLLDKOFX-HNKHHVNMSA-N 1 0 302.374 3.145 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCS1 ZINC000927025941 628000499 /nfs/dbraw/zinc/00/04/99/628000499.db2.gz DIERZVCPJQIOSW-YIYPIFLZSA-N 1 0 324.450 3.149 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927119020 628020237 /nfs/dbraw/zinc/02/02/37/628020237.db2.gz IPUIZTDRUGXHBX-XNJGSVPQSA-N 1 0 317.389 3.092 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@]34C[C@H]3CCC4)CC2)cc1 ZINC000927120537 628020612 /nfs/dbraw/zinc/02/06/12/628020612.db2.gz SZLRKKAVTGWLSF-KDOFPFPSSA-N 1 0 315.417 3.343 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000927139921 628025040 /nfs/dbraw/zinc/02/50/40/628025040.db2.gz ORIWMSKATIBZNH-UHOSZYNNSA-N 1 0 324.380 3.220 20 5 DGBDRO C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000927141304 628025109 /nfs/dbraw/zinc/02/51/09/628025109.db2.gz HRNNUGYFMLSUEB-PJSAGSTRSA-N 1 0 312.369 3.294 20 5 DGBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000818966772 628068796 /nfs/dbraw/zinc/06/87/96/628068796.db2.gz OHHFBCKXNQZOPD-RLCCDNCMSA-N 1 0 316.357 3.134 20 5 DGBDRO C[C@H](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000818992870 628074961 /nfs/dbraw/zinc/07/49/61/628074961.db2.gz FQLUEKAQQJPEBT-RDTXWAMCSA-N 1 0 314.385 3.412 20 5 DGBDRO CCc1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819084849 628089207 /nfs/dbraw/zinc/08/92/07/628089207.db2.gz FQZIDBQSBSHMFH-SFHVURJKSA-N 1 0 314.385 3.023 20 5 DGBDRO Cc1ccc([C@@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819087933 628089741 /nfs/dbraw/zinc/08/97/41/628089741.db2.gz DFDOSJUBHWIKOW-KSSFIOAISA-N 1 0 314.385 3.330 20 5 DGBDRO Cc1cccc([C@@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819097820 628091865 /nfs/dbraw/zinc/09/18/65/628091865.db2.gz OOWLHMYECGKBFN-KBXCAEBGSA-N 1 0 314.385 3.330 20 5 DGBDRO CCS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819133790 628097771 /nfs/dbraw/zinc/09/77/71/628097771.db2.gz RJBBVUQHYHHOHM-IMJJTQAJSA-N 1 0 324.446 3.282 20 5 DGBDRO CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000819189965 628109619 /nfs/dbraw/zinc/10/96/19/628109619.db2.gz MBOPPULSVIULEF-INIZCTEOSA-N 1 0 306.406 3.434 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1 ZINC000819283179 628126878 /nfs/dbraw/zinc/12/68/78/628126878.db2.gz QUODVNWOJSJKGH-JFIYKMOQSA-N 1 0 312.369 3.164 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000819291187 628127980 /nfs/dbraw/zinc/12/79/80/628127980.db2.gz QYRWKBBHMAJFHG-BXUZGUMPSA-N 1 0 314.332 3.043 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCC(F)(F)C2)cc1 ZINC000819291431 628128086 /nfs/dbraw/zinc/12/80/86/628128086.db2.gz UWACZJOPGGYMNU-FZMZJTMJSA-N 1 0 314.332 3.043 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(C3CCC3)CCC2)c1 ZINC000819361653 628141442 /nfs/dbraw/zinc/14/14/42/628141442.db2.gz KHGBEYLSEFVAOI-INIZCTEOSA-N 1 0 304.390 3.188 20 5 DGBDRO C[C@@H]1[C@H](NC(=O)c2cc3ccccc3c3cccnc23)CC[N@@H+]1C ZINC000928458159 628152745 /nfs/dbraw/zinc/15/27/45/628152745.db2.gz RMPJJCIJLVTICW-FZKQIMNGSA-N 1 0 319.408 3.210 20 5 DGBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1COC ZINC000819932013 628201406 /nfs/dbraw/zinc/20/14/06/628201406.db2.gz ZMAUJVVSYQIUTI-UHFFFAOYSA-N 1 0 321.421 3.053 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000821272761 628352187 /nfs/dbraw/zinc/35/21/87/628352187.db2.gz XXBCSDABOJGARE-ZDUSSCGKSA-N 1 0 301.321 3.118 20 5 DGBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+](C2CC2)C1 ZINC000824445547 628661490 /nfs/dbraw/zinc/66/14/90/628661490.db2.gz DYFIVCDNTRXMGH-GFCCVEGCSA-N 1 0 323.824 3.164 20 5 DGBDRO COc1ccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000824765902 628691744 /nfs/dbraw/zinc/69/17/44/628691744.db2.gz QXJNDTLMDIIZGT-LBPRGKRZSA-N 1 0 319.188 3.277 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)C1CCC1 ZINC000825245811 628741545 /nfs/dbraw/zinc/74/15/45/628741545.db2.gz RNJQOBAUHYOBGD-LBPRGKRZSA-N 1 0 319.188 3.152 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827722622 628986067 /nfs/dbraw/zinc/98/60/67/628986067.db2.gz OZXVRVCNFBGHKM-UHFFFAOYSA-N 1 0 313.829 3.458 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1F ZINC000828906264 629107878 /nfs/dbraw/zinc/10/78/78/629107878.db2.gz VSHDBUJCLMCNHB-UKRRQHHQSA-N 1 0 308.353 3.125 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1(CO)CC=CC1 ZINC000830518096 629280067 /nfs/dbraw/zinc/28/00/67/629280067.db2.gz NYGWEOXVTFMIRP-MRXNPFEDSA-N 1 0 322.380 3.177 20 5 DGBDRO C[C@@H]1CC2(C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-])CCOCC2 ZINC000830623028 629288658 /nfs/dbraw/zinc/28/86/58/629288658.db2.gz WGMDCGVBPWFIQD-GFCCVEGCSA-N 1 0 308.353 3.125 20 5 DGBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000832094300 629441785 /nfs/dbraw/zinc/44/17/85/629441785.db2.gz PDGZDRRAKKBGNX-ZDUSSCGKSA-N 1 0 314.813 3.477 20 5 DGBDRO CCCCCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000833029296 629549939 /nfs/dbraw/zinc/54/99/39/629549939.db2.gz FDASOPHFGAVJAU-AWEZNQCLSA-N 1 0 321.421 3.284 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000834387275 629703021 /nfs/dbraw/zinc/70/30/21/629703021.db2.gz FEBWZOCZSIQSKE-BBWFWOEESA-N 1 0 306.406 3.241 20 5 DGBDRO CC(C)[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000834885328 629797590 /nfs/dbraw/zinc/79/75/90/629797590.db2.gz IGNLXZXKFZAIIQ-OGHNNQOOSA-N 1 0 321.421 3.279 20 5 DGBDRO C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834885892 629797854 /nfs/dbraw/zinc/79/78/54/629797854.db2.gz YTXCNEMXKHKOLZ-PRHODGIISA-N 1 0 318.204 3.412 20 5 DGBDRO CC(C)C[C@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841747800 630461764 /nfs/dbraw/zinc/46/17/64/630461764.db2.gz UDDKRLPGGLCYAO-RDJZCZTQSA-N 1 0 306.406 3.359 20 5 DGBDRO CC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)OCCCO1 ZINC000841750695 630461899 /nfs/dbraw/zinc/46/18/99/630461899.db2.gz ACZBEOBQZAMLPT-INIZCTEOSA-N 1 0 320.389 3.105 20 5 DGBDRO CC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)OCCCO1 ZINC000841750697 630461998 /nfs/dbraw/zinc/46/19/98/630461998.db2.gz ACZBEOBQZAMLPT-MRXNPFEDSA-N 1 0 320.389 3.105 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCCCC2)c(F)c1F ZINC000842077350 630488563 /nfs/dbraw/zinc/48/85/63/630488563.db2.gz XNUZJZDRRMKDQU-UHFFFAOYSA-N 1 0 300.305 3.128 20 5 DGBDRO C[N@H+](CCC(C)(C)C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000842631450 630556337 /nfs/dbraw/zinc/55/63/37/630556337.db2.gz NWKYYUMVDVSHQZ-UHFFFAOYSA-N 1 0 317.393 3.179 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000843044804 630607480 /nfs/dbraw/zinc/60/74/80/630607480.db2.gz JXTWHELBZXRLBU-LRDDRELGSA-N 1 0 323.824 3.212 20 5 DGBDRO [NH3+]CCCN(Cc1cc(F)ccc1[N+](=O)[O-])CC1CCCC1 ZINC000843384817 630650950 /nfs/dbraw/zinc/65/09/50/630650950.db2.gz BGSHSDICEAQONJ-UHFFFAOYSA-N 1 0 309.385 3.075 20 5 DGBDRO C[NH2+]Cc1ccccc1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000844904259 630973160 /nfs/dbraw/zinc/97/31/60/630973160.db2.gz GCBFJEPCGHBYOA-UHFFFAOYSA-N 1 0 319.792 3.257 20 5 DGBDRO Cc1c(-c2noc([C@H]3CC[C@H](C4CC4)[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000844918827 630980935 /nfs/dbraw/zinc/98/09/35/630980935.db2.gz FYARDBQBHQTMBS-CHWSQXEVSA-N 1 0 314.345 3.156 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000845502677 631179345 /nfs/dbraw/zinc/17/93/45/631179345.db2.gz LZMQBBMMSADDRM-CHWSQXEVSA-N 1 0 314.389 3.428 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845526710 631180710 /nfs/dbraw/zinc/18/07/10/631180710.db2.gz KGXFEAMKAZLUBN-JTQLQIEISA-N 1 0 315.776 3.308 20 5 DGBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@](C)(O)c1ccccc1 ZINC000846034504 631207210 /nfs/dbraw/zinc/20/72/10/631207210.db2.gz AALHZZDBYUJSMW-IAQYHMDHSA-N 1 0 306.387 3.042 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3(C4CCC4)CC3)CC2)cc1 ZINC000846208568 631214984 /nfs/dbraw/zinc/21/49/84/631214984.db2.gz ZUMIKMKMCQSJFX-UHFFFAOYSA-N 1 0 315.417 3.486 20 5 DGBDRO CC1=C(C)C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848487058 631668749 /nfs/dbraw/zinc/66/87/49/631668749.db2.gz NLEJFEJYLLVJEB-UHFFFAOYSA-N 1 0 312.373 3.458 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)c1ccccc1F ZINC000848521009 631675845 /nfs/dbraw/zinc/67/58/45/631675845.db2.gz MAGRTLJWIPXDQA-RDJZCZTQSA-N 1 0 316.332 3.044 20 5 DGBDRO C[C@](O)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccs1 ZINC000848528472 631678806 /nfs/dbraw/zinc/67/88/06/631678806.db2.gz MFIVUCSQTDFKIT-CJNGLKHVSA-N 1 0 318.398 3.141 20 5 DGBDRO Cc1cccc([C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848535114 631682232 /nfs/dbraw/zinc/68/22/32/631682232.db2.gz DKGQKSAARCVHFK-AEFFLSMTSA-N 1 0 312.369 3.214 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848572227 631697750 /nfs/dbraw/zinc/69/77/50/631697750.db2.gz WOXQDFMZZQABKR-GXTWGEPZSA-N 1 0 319.405 3.319 20 5 DGBDRO CC(C)(F)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850530763 632182045 /nfs/dbraw/zinc/18/20/45/632182045.db2.gz CLHJKJBPMMJSKQ-UHFFFAOYSA-N 1 0 309.385 3.291 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3=CCCC3)CC2)cc1 ZINC000850556265 632192055 /nfs/dbraw/zinc/19/20/55/632192055.db2.gz FMFKZDMDIBGFAK-UHFFFAOYSA-N 1 0 301.390 3.264 20 5 DGBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000793042378 661001700 /nfs/dbraw/zinc/00/17/00/661001700.db2.gz MSRAZNAPOGTWCC-INMHGKMJSA-N 1 0 306.406 3.433 20 5 DGBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792879389 660991093 /nfs/dbraw/zinc/99/10/93/660991093.db2.gz HIPADURREWJINJ-GRYCIOLGSA-N 1 0 307.350 3.369 20 5 DGBDRO CCC(=O)c1ccc(N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000795164928 661130800 /nfs/dbraw/zinc/13/08/00/661130800.db2.gz JAXSCRMTEGKDMZ-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000932492001 655577444 /nfs/dbraw/zinc/57/74/44/655577444.db2.gz NXMFHTJKKPXRBT-RDDDGLTNSA-N 1 0 305.161 3.026 20 5 DGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000261959745 655656136 /nfs/dbraw/zinc/65/61/36/655656136.db2.gz OOOJIYPOIOZUSQ-UWVGGRQHSA-N 1 0 317.311 3.414 20 5 DGBDRO C[NH+]1CCC(CNc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000234316279 655704522 /nfs/dbraw/zinc/70/45/22/655704522.db2.gz YPWXXAKBFMWJES-UHFFFAOYSA-N 1 0 301.749 3.141 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933916107 655738341 /nfs/dbraw/zinc/73/83/41/655738341.db2.gz OMNLQOFBGSVORH-OAHLLOKOSA-N 1 0 310.394 3.451 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000176202797 655744885 /nfs/dbraw/zinc/74/48/85/655744885.db2.gz BEASSNRDVHMLMS-BETUJISGSA-N 1 0 300.362 3.024 20 5 DGBDRO [NH3+]C1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000051693926 655778283 /nfs/dbraw/zinc/77/82/83/655778283.db2.gz OCGQDTBTEDVYRG-UHFFFAOYSA-N 1 0 303.284 3.295 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000054549812 658488165 /nfs/dbraw/zinc/48/81/65/658488165.db2.gz PHYYRBAYPJHABP-HNNXBMFYSA-N 1 0 306.410 3.410 20 5 DGBDRO CC[NH+]1CCC(N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000042616394 658790992 /nfs/dbraw/zinc/79/09/92/658790992.db2.gz JAEYKJFCDJWCMJ-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000246669024 658854163 /nfs/dbraw/zinc/85/41/63/658854163.db2.gz BCUWTYPGKNETJA-MLGOLLRUSA-N 1 0 314.389 3.244 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(CCCC2)C1 ZINC000173825179 659401378 /nfs/dbraw/zinc/40/13/78/659401378.db2.gz AEGPQWWJZMHCSP-ZDUSSCGKSA-N 1 0 317.389 3.188 20 5 DGBDRO Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CC[N+](=O)[O-] ZINC000929837333 659674049 /nfs/dbraw/zinc/67/40/49/659674049.db2.gz YUSMJQWVLGGQOP-LBPRGKRZSA-N 1 0 305.403 3.388 20 5 DGBDRO C[C@@H]([NH2+]CCSc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000930208991 661378406 /nfs/dbraw/zinc/37/84/06/661378406.db2.gz ZHHXDORLWLZOPP-GFCCVEGCSA-N 1 0 303.387 3.433 20 5 DGBDRO Cc1ccc(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1[N+](=O)[O-] ZINC000932133929 661540521 /nfs/dbraw/zinc/54/05/21/661540521.db2.gz XYWGBEIFPPFSHL-OAHLLOKOSA-N 1 0 314.389 3.016 20 5 DGBDRO COC(C)(C)[C@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000932371030 661562530 /nfs/dbraw/zinc/56/25/30/661562530.db2.gz RXDUIKPYTWCCMY-NSHDSACASA-N 1 0 319.361 3.153 20 5 DGBDRO Cn1cc(CN(Cc2cccc(F)c2)C2CCC2)c([N+](=O)[O-])n1 ZINC000932403532 661566341 /nfs/dbraw/zinc/56/63/41/661566341.db2.gz UYDBGZLSTOXHCK-UHFFFAOYSA-N 1 0 318.352 3.022 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932820148 661599125 /nfs/dbraw/zinc/59/91/25/661599125.db2.gz JGQCLBYXNRHLGU-CYBMUJFWSA-N 1 0 304.390 3.283 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cs1 ZINC000933076073 661616123 /nfs/dbraw/zinc/61/61/23/661616123.db2.gz CTNYVVLVDOCYFH-CQSZACIVSA-N 1 0 310.419 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCOC23CCCC3)c1 ZINC000934396955 661704641 /nfs/dbraw/zinc/70/46/41/661704641.db2.gz SIISHUYXLUDLQR-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000934626694 661720176 /nfs/dbraw/zinc/72/01/76/661720176.db2.gz QGGXFUINIVWUCV-ZWNOBZJWSA-N 1 0 323.780 3.131 20 5 DGBDRO CCOc1ccc(CC[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000934720022 661729696 /nfs/dbraw/zinc/72/96/96/661729696.db2.gz URUUHJTZERKETQ-UHFFFAOYSA-N 1 0 315.373 3.063 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934837871 661739577 /nfs/dbraw/zinc/73/95/77/661739577.db2.gz XGPYGSHOVRNEFM-ZIAGYGMSSA-N 1 0 322.380 3.373 20 5 DGBDRO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000089092251 662237711 /nfs/dbraw/zinc/23/77/11/662237711.db2.gz MQKCSVJZMUWFIF-SCZZXKLOSA-N 1 0 303.284 3.153 20 5 DGBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246329518 662254286 /nfs/dbraw/zinc/25/42/86/662254286.db2.gz SOIMZBJMLPFLBQ-FVQBIDKESA-N 1 0 324.446 3.234 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932148310 685325087 /nfs/dbraw/zinc/32/50/87/685325087.db2.gz FNEYZQHQPNWPFX-ZDUSSCGKSA-N 1 0 314.389 3.269 20 5 DGBDRO CC1(C)C[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001576475891 1191825310 /nfs/dbraw/zinc/82/53/10/1191825310.db2.gz BVAGDWPJTCBUDZ-AWEZNQCLSA-N 1 0 312.373 3.067 20 5 DGBDRO Cc1ccnc(NCCCCCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001579813015 1191995186 /nfs/dbraw/zinc/99/51/86/1191995186.db2.gz CUNRCOPZOGPJPC-UHFFFAOYSA-N 1 0 306.410 3.270 20 5 DGBDRO [NH3+][C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC001580131937 1192009093 /nfs/dbraw/zinc/00/90/93/1192009093.db2.gz JSNWTWCAHKOIAV-HNNXBMFYSA-N 1 0 308.341 3.255 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001580177385 1192012466 /nfs/dbraw/zinc/01/24/66/1192012466.db2.gz WHNHKZXMNGJQQZ-RKDXNWHRSA-N 1 0 303.284 3.295 20 5 DGBDRO [NH3+]C[C@H]1CCCC12CCN(c1ccc(F)cc1[N+](=O)[O-])CC2 ZINC001580261186 1192017309 /nfs/dbraw/zinc/01/73/09/1192017309.db2.gz XCOAUGIMBYBOBR-GFCCVEGCSA-N 1 0 307.369 3.079 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([C@H]3CCC[NH2+]CC3)CC2)c(F)c1 ZINC001580874832 1192043331 /nfs/dbraw/zinc/04/33/31/1192043331.db2.gz LFVMQKOGBIRABY-ZDUSSCGKSA-N 1 0 321.396 3.340 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCCC[NH2+]2)cc1OC(F)F ZINC001580875534 1192043370 /nfs/dbraw/zinc/04/33/70/1192043370.db2.gz LDKLSYUIIONREX-NSHDSACASA-N 1 0 315.320 3.140 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(OC[C@H]2CCC[NH2+]C2)cc1Cl ZINC001580874612 1192043456 /nfs/dbraw/zinc/04/34/56/1192043456.db2.gz FPUSRAIEARPGBA-QMMMGPOBSA-N 1 0 305.161 3.280 20 5 DGBDRO O=[N+]([O-])c1c(N[C@H]2CCC[NH2+]CC2)cccc1C(F)(F)F ZINC001580874902 1192043587 /nfs/dbraw/zinc/04/35/87/1192043587.db2.gz NYPWSCNBPMXCEI-VIFPVBQESA-N 1 0 303.284 3.168 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001620850904 1192454734 /nfs/dbraw/zinc/45/47/34/1192454734.db2.gz ROMKXBFTTMWCIE-CXAGYDPISA-N 1 0 317.433 3.291 20 5 DGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001332958146 1178529318 /nfs/dbraw/zinc/52/93/18/1178529318.db2.gz HFZPLPYTBDYHGQ-ZYHUDNBSSA-N 1 0 321.402 3.452 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001333876527 1178689161 /nfs/dbraw/zinc/68/91/61/1178689161.db2.gz OZCNSQMDNFEHHD-SGMGOOAPSA-N 1 0 323.824 3.415 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001334972724 1178837396 /nfs/dbraw/zinc/83/73/96/1178837396.db2.gz JMEILAQTWCQWOF-ZIAGYGMSSA-N 1 0 311.813 3.211 20 5 DGBDRO C[C@@H](NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001341740183 1179055197 /nfs/dbraw/zinc/05/51/97/1179055197.db2.gz MSQVVBGGGNVJEH-KCXAZCMYSA-N 1 0 319.405 3.070 20 5 DGBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](CC2CCCCC2)CC1 ZINC001341742428 1179056123 /nfs/dbraw/zinc/05/61/23/1179056123.db2.gz KJMWYIFLYMPSEK-UHFFFAOYSA-N 1 0 318.421 3.001 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC001343318459 1179255487 /nfs/dbraw/zinc/25/54/87/1179255487.db2.gz GWQMTGQXXFPZSY-FRRDWIJNSA-N 1 0 323.824 3.415 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cn3ccnc3s2)cc1[N+](=O)[O-] ZINC001345077031 1179522868 /nfs/dbraw/zinc/52/28/68/1179522868.db2.gz PDLBROUODLPCBV-NSHDSACASA-N 1 0 316.386 3.463 20 5 DGBDRO CCCC1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC001349498567 1179911190 /nfs/dbraw/zinc/91/11/90/1179911190.db2.gz MRJGIBJHYDPYGN-UHFFFAOYSA-N 1 0 320.389 3.394 20 5 DGBDRO CC(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001349961091 1179986812 /nfs/dbraw/zinc/98/68/12/1179986812.db2.gz PQMZFDDIIGKIIW-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO COc1ccc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC001352084365 1180293742 /nfs/dbraw/zinc/29/37/42/1180293742.db2.gz MVLZLKWOPUXVOU-LLVKDONJSA-N 1 0 319.336 3.031 20 5 DGBDRO COc1ccc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC001352084367 1180293777 /nfs/dbraw/zinc/29/37/77/1180293777.db2.gz MVLZLKWOPUXVOU-NSHDSACASA-N 1 0 319.336 3.031 20 5 DGBDRO CNc1ccc(C)cc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001200126483 1180392925 /nfs/dbraw/zinc/39/29/25/1180392925.db2.gz FQNQALUEZAIFMZ-UHFFFAOYSA-N 1 0 315.373 3.114 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC001200401144 1180612770 /nfs/dbraw/zinc/61/27/70/1180612770.db2.gz OLAHJLHBWSGDNZ-SFHVURJKSA-N 1 0 312.369 3.307 20 5 DGBDRO C[C@@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001354158510 1180733158 /nfs/dbraw/zinc/73/31/58/1180733158.db2.gz ZKROEULNMZKWEB-NEPJUHHUSA-N 1 0 322.384 3.194 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001354456777 1180800632 /nfs/dbraw/zinc/80/06/32/1180800632.db2.gz XXZLYUBOIDBYSB-LLVKDONJSA-N 1 0 310.354 3.035 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001458485046 1182530760 /nfs/dbraw/zinc/53/07/60/1182530760.db2.gz UULBOJCGJGZFMX-ZDUSSCGKSA-N 1 0 318.421 3.153 20 5 DGBDRO Cc1cc(N2CC[N@H+](C3CCCC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001458601427 1182543137 /nfs/dbraw/zinc/54/31/37/1182543137.db2.gz HUAIIFLXEGXUAJ-AWEZNQCLSA-N 1 0 303.406 3.356 20 5 DGBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC001459921360 1182629372 /nfs/dbraw/zinc/62/93/72/1182629372.db2.gz IVSXQTKQUJXBNJ-ZDUSSCGKSA-N 1 0 319.405 3.482 20 5 DGBDRO C[C@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459936317 1182631302 /nfs/dbraw/zinc/63/13/02/1182631302.db2.gz NTCWWPLCORAMMX-GXTWGEPZSA-N 1 0 323.462 3.399 20 5 DGBDRO CC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001460234392 1182665322 /nfs/dbraw/zinc/66/53/22/1182665322.db2.gz IVIUZFUHLZCZHB-UHFFFAOYSA-N 1 0 320.389 3.392 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(CO)CCCCCCC1 ZINC001460661672 1182705016 /nfs/dbraw/zinc/70/50/16/1182705016.db2.gz QEAXTQHWLXVHKX-UHFFFAOYSA-N 1 0 322.405 3.039 20 5 DGBDRO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001462273134 1182931664 /nfs/dbraw/zinc/93/16/64/1182931664.db2.gz UNKCQXLUKDEGBX-NWDGAFQWSA-N 1 0 308.378 3.225 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C)CC(C)C ZINC001472650787 1183661982 /nfs/dbraw/zinc/66/19/82/1183661982.db2.gz MOCXXWSNNOMKGF-CQSZACIVSA-N 1 0 308.426 3.467 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CCCC[C@H]2C)c1 ZINC001473382977 1183750184 /nfs/dbraw/zinc/75/01/84/1183750184.db2.gz BWCFKZKNDKALHP-DOMZBBRYSA-N 1 0 320.389 3.392 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001473385787 1183751823 /nfs/dbraw/zinc/75/18/23/1183751823.db2.gz QSIAQBUXIYEKAO-ZFWWWQNUSA-N 1 0 319.405 3.400 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1COC(C)(C)C ZINC001473782363 1183800975 /nfs/dbraw/zinc/80/09/75/1183800975.db2.gz PLDAQLZTUAOTQY-OAHLLOKOSA-N 1 0 322.405 3.383 20 5 DGBDRO Cc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC001473981290 1183842808 /nfs/dbraw/zinc/84/28/08/1183842808.db2.gz BIGRZBLXJAPXSS-UHFFFAOYSA-N 1 0 321.764 3.120 20 5 DGBDRO CC[C@@H](C)[C@@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC001474396685 1183914225 /nfs/dbraw/zinc/91/42/25/1183914225.db2.gz MRUPRGVRERUJBR-IAQYHMDHSA-N 1 0 314.813 3.441 20 5 DGBDRO C[NH+](C)[C@H](CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC001611939772 1193443843 /nfs/dbraw/zinc/44/38/43/1193443843.db2.gz MOVAHOLSNJZBOA-CYBMUJFWSA-N 1 0 317.311 3.366 20 5 DGBDRO CN(CC[NH+]1CCCCC1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC001612523203 1193453941 /nfs/dbraw/zinc/45/39/41/1193453941.db2.gz MQMFJBOPGJJIIP-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO C[C@H](CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[NH+](C)C ZINC001612594455 1193457205 /nfs/dbraw/zinc/45/72/05/1193457205.db2.gz DCKQXORYHPXCFK-SECBINFHSA-N 1 0 305.300 3.366 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001524179220 1187220636 /nfs/dbraw/zinc/22/06/36/1187220636.db2.gz RPIAXJDYJDNDKM-GFCCVEGCSA-N 1 0 311.769 3.060 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC(C)(C)CC1 ZINC001615700151 1193526604 /nfs/dbraw/zinc/52/66/04/1193526604.db2.gz LHDUHHYNKOVCQQ-CYBMUJFWSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@@H](Cc1ccsc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001615783031 1193528261 /nfs/dbraw/zinc/52/82/61/1193528261.db2.gz QHRKBAINDWQMGL-BLLLJJGKSA-N 1 0 320.414 3.253 20 5 DGBDRO C[C@H](Cc1ccsc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001615783033 1193528443 /nfs/dbraw/zinc/52/84/43/1193528443.db2.gz QHRKBAINDWQMGL-MLGOLLRUSA-N 1 0 320.414 3.253 20 5 DGBDRO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC001616631076 1193543620 /nfs/dbraw/zinc/54/36/20/1193543620.db2.gz YTGNFKSTSBCSHJ-AWEZNQCLSA-N 1 0 304.390 3.486 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c1 ZINC001617798371 1193581095 /nfs/dbraw/zinc/58/10/95/1193581095.db2.gz BUKPIBMTJNVRDL-RYUDHWBXSA-N 1 0 320.389 3.296 20 5 DGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001559066269 1189167992 /nfs/dbraw/zinc/16/79/92/1189167992.db2.gz QDFWWAXPVVDKDC-ZDUSSCGKSA-N 1 0 318.421 3.155 20 5 DGBDRO C[NH+](C)[C@H]1C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1(C)C ZINC001559219587 1189182061 /nfs/dbraw/zinc/18/20/61/1189182061.db2.gz TXZOOAVKJVWNQK-GJZGRUSLSA-N 1 0 314.389 3.284 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c(F)c1 ZINC001559260207 1189188481 /nfs/dbraw/zinc/18/84/81/1189188481.db2.gz FFUJVUHLEMSRBS-ZDUSSCGKSA-N 1 0 322.384 3.338 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(C)C)C(C)(C)O ZINC001559820859 1189246646 /nfs/dbraw/zinc/24/66/46/1189246646.db2.gz NKYYVZCBTXJKGH-INIZCTEOSA-N 1 0 324.421 3.267 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC001560059277 1189274154 /nfs/dbraw/zinc/27/41/54/1189274154.db2.gz XWJXOAISZGFQPZ-ZDUSSCGKSA-N 1 0 308.426 3.248 20 5 DGBDRO CC(=O)Oc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001560131374 1189282307 /nfs/dbraw/zinc/28/23/07/1189282307.db2.gz BSOCPUKUUWWTHU-GFCCVEGCSA-N 1 0 314.341 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@@H]3CCCO3)CCC2)c(Cl)c1 ZINC001560227445 1189294814 /nfs/dbraw/zinc/29/48/14/1189294814.db2.gz OJTKJXFXEFXAHJ-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC001560317467 1189309819 /nfs/dbraw/zinc/30/98/19/1189309819.db2.gz SHZFUSMZLOYJSN-LBPRGKRZSA-N 1 0 322.405 3.422 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(CO)CCCCC1 ZINC001560366690 1189319157 /nfs/dbraw/zinc/31/91/57/1189319157.db2.gz NALWWFYTQXFYAM-UHFFFAOYSA-N 1 0 306.406 3.244 20 5 DGBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC001560546884 1189339335 /nfs/dbraw/zinc/33/93/35/1189339335.db2.gz MICFCSKKOOSOQZ-YFKFIEJBSA-N 1 0 311.179 3.245 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c1[N+](=O)[O-] ZINC001560679443 1189359540 /nfs/dbraw/zinc/35/95/40/1189359540.db2.gz OGDVKMSORSXZCJ-CQSZACIVSA-N 1 0 320.389 3.464 20 5 DGBDRO [NH3+]CCN(C/C=C/c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC001560815978 1189387469 /nfs/dbraw/zinc/38/74/69/1189387469.db2.gz YBMASRSKGRSJOU-GQCTYLIASA-N 1 0 315.348 3.212 20 5 DGBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001570312269 1190838344 /nfs/dbraw/zinc/83/83/44/1190838344.db2.gz OZPKPDPFEGOULN-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO Cc1ccccc1CC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001618160605 1193726674 /nfs/dbraw/zinc/72/66/74/1193726674.db2.gz XFQRKBRRIDEMSU-UHFFFAOYSA-N 1 0 314.385 3.457 20 5 DGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC001618654405 1193746139 /nfs/dbraw/zinc/74/61/39/1193746139.db2.gz UORUHSBQYIQQDS-GJZGRUSLSA-N 1 0 319.405 3.338 20 5 DGBDRO Cc1ccc(C[NH2+]C2(CO)CCCCCCC2)cc1[N+](=O)[O-] ZINC001620514850 1193774258 /nfs/dbraw/zinc/77/42/58/1193774258.db2.gz QPHYXWLSHBYFGL-UHFFFAOYSA-N 1 0 306.406 3.468 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001620643773 1193785490 /nfs/dbraw/zinc/78/54/90/1193785490.db2.gz QAIGWLBHLWXKKX-GFCCVEGCSA-N 1 0 323.368 3.327 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1F ZINC001620669666 1193788447 /nfs/dbraw/zinc/78/84/47/1193788447.db2.gz XIFZTEUQZYCXNY-CVEARBPZSA-N 1 0 308.353 3.267 20 5 DGBDRO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC001630156270 1194271621 /nfs/dbraw/zinc/27/16/21/1194271621.db2.gz HNZQRGLQJRKVEY-CYBMUJFWSA-N 1 0 321.421 3.058 20 5 DGBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001636204479 1194599888 /nfs/dbraw/zinc/59/98/88/1194599888.db2.gz XDIGVDYNMUCACI-UHFFFAOYSA-N 1 0 316.704 3.148 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001638230587 1194707546 /nfs/dbraw/zinc/70/75/46/1194707546.db2.gz GRHJHKYJYITVEN-ZIAGYGMSSA-N 1 0 319.405 3.271 20 5 DGBDRO C[NH+](C)[C@H]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1(C)C ZINC001640067285 1194794310 /nfs/dbraw/zinc/79/43/10/1194794310.db2.gz FQLYQVJAIIERPG-GJZGRUSLSA-N 1 0 314.389 3.284 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1(C)C ZINC001640067286 1194794438 /nfs/dbraw/zinc/79/44/38/1194794438.db2.gz FQLYQVJAIIERPG-HUUCEWRRSA-N 1 0 314.389 3.284 20 5 DGBDRO C[NH+](C)[C@H]1C[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC001640154489 1194799398 /nfs/dbraw/zinc/79/93/98/1194799398.db2.gz GSECVNLRDXEKQH-STQMWFEESA-N 1 0 311.332 3.158 20 5 DGBDRO O=[N+]([O-])c1c(NCC[NH+]2CCCC2)cccc1C(F)(F)F ZINC001641990364 1194882558 /nfs/dbraw/zinc/88/25/58/1194882558.db2.gz HSYUKZFINVAETH-UHFFFAOYSA-N 1 0 303.284 3.121 20 5 DGBDRO C[C@H](c1ccccc1)[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC001642328830 1194903016 /nfs/dbraw/zinc/90/30/16/1194903016.db2.gz JJWAHUHGGSRJHG-CQSZACIVSA-N 1 0 300.358 3.150 20 5 DGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC001642401116 1194907411 /nfs/dbraw/zinc/90/74/11/1194907411.db2.gz PVMINNRANWSWNB-UHFFFAOYSA-N 1 0 317.364 3.302 20 5 DGBDRO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000057801037 1194918751 /nfs/dbraw/zinc/91/87/51/1194918751.db2.gz UMVNJKQAQPFGEW-NSHDSACASA-N 1 0 324.764 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC001643502584 1195029646 /nfs/dbraw/zinc/02/96/46/1195029646.db2.gz ZMISMDCBUKABLX-INIZCTEOSA-N 1 0 306.431 3.355 20 5 DGBDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1OC ZINC001645511301 1195191026 /nfs/dbraw/zinc/19/10/26/1195191026.db2.gz UUZADFHSELECQR-HOTGVXAUSA-N 1 0 322.405 3.287 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCOCC23CCCC3)cc1[N+](=O)[O-] ZINC001648637828 1195317249 /nfs/dbraw/zinc/31/72/49/1195317249.db2.gz GIDLNEBCRCCFBN-INIZCTEOSA-N 1 0 320.389 3.042 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CCO)C3CC3)o2)c1 ZINC001650212023 1195360334 /nfs/dbraw/zinc/36/03/34/1195360334.db2.gz HCPPCWVGEABGSN-INIZCTEOSA-N 1 0 316.357 3.105 20 5 DGBDRO Cc1cc(NCc2ccc3c[nH+]cn3c2)c(F)cc1[N+](=O)[O-] ZINC001651130955 1195417803 /nfs/dbraw/zinc/41/78/03/1195417803.db2.gz DZIIQXRLIHGQGV-UHFFFAOYSA-N 1 0 300.293 3.302 20 5 DGBDRO CN(C[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001651166418 1195422155 /nfs/dbraw/zinc/42/21/55/1195422155.db2.gz RVFGJCAVKIAAFX-SNVBAGLBSA-N 1 0 317.311 3.144 20 5 DGBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC001651344755 1195446317 /nfs/dbraw/zinc/44/63/17/1195446317.db2.gz PRARIRPIKLFXBR-OAHLLOKOSA-N 1 0 324.400 3.441 20 5 DGBDRO CC(C)(C)[NH2+]CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001651546914 1195478443 /nfs/dbraw/zinc/47/84/43/1195478443.db2.gz KENWIHGUSHIESZ-UHFFFAOYSA-N 1 0 322.796 3.018 20 5 DGBDRO COc1cc(C[NH2+]CCCc2ccsc2)c([N+](=O)[O-])cc1O ZINC001651698337 1195498476 /nfs/dbraw/zinc/49/84/76/1195498476.db2.gz VPUMMWLFHOFHKW-UHFFFAOYSA-N 1 0 322.386 3.093 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001652070886 1195543919 /nfs/dbraw/zinc/54/39/19/1195543919.db2.gz RLXMLEOOPQXDPQ-UHFFFAOYSA-N 1 0 300.790 3.176 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001652526144 1195611435 /nfs/dbraw/zinc/61/14/35/1195611435.db2.gz FHPIEKFVJODWOV-ZIAGYGMSSA-N 1 0 319.405 3.434 20 5 DGBDRO CC(C)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001653381277 1195715964 /nfs/dbraw/zinc/71/59/64/1195715964.db2.gz DNXWMFGKZRVVQK-INIZCTEOSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1C ZINC001654218875 1195785012 /nfs/dbraw/zinc/78/50/12/1195785012.db2.gz PZGNFZBCTDPKRJ-KGLIPLIRSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)(C)[C@H]1CSCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001654630719 1195825475 /nfs/dbraw/zinc/82/54/75/1195825475.db2.gz XFRUSRQVXRNZJF-OAHLLOKOSA-N 1 0 324.446 3.437 20 5 DGBDRO Cc1ccc2c(c1)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001654785988 1195840122 /nfs/dbraw/zinc/84/01/22/1195840122.db2.gz RTKQBMCVWJCKHF-UHFFFAOYSA-N 1 0 312.369 3.340 20 5 DGBDRO CC(C)Oc1nc(N[C@@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001655099099 1195876047 /nfs/dbraw/zinc/87/60/47/1195876047.db2.gz XMRBXZFOBGDAPC-CHWSQXEVSA-N 1 0 322.409 3.062 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCN3CCCC3)o2)c1 ZINC001655199388 1195889944 /nfs/dbraw/zinc/88/99/44/1195889944.db2.gz VMDVSFRVVACHHF-UHFFFAOYSA-N 1 0 315.373 3.040 20 5 DGBDRO CC(C)C[N@H+](C)CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001655639335 1195944220 /nfs/dbraw/zinc/94/42/20/1195944220.db2.gz OJMVWVNNDRQVLC-UHFFFAOYSA-N 1 0 300.790 3.033 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCCCCC2)nc1 ZINC001655775312 1195961348 /nfs/dbraw/zinc/96/13/48/1195961348.db2.gz GSFDXSMMSQIFAB-CQSZACIVSA-N 1 0 304.394 3.199 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@]12CCCOC2 ZINC001655921780 1195977871 /nfs/dbraw/zinc/97/78/71/1195977871.db2.gz IMAJLAQIXRJECR-QGZVFWFLSA-N 1 0 320.389 3.139 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1nc(C)cs1 ZINC001656029089 1195989245 /nfs/dbraw/zinc/98/92/45/1195989245.db2.gz DGNVFTMOMQPZNM-UHFFFAOYSA-N 1 0 321.402 3.091 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2oc(=O)oc2c1)c1cccc([N+](=O)[O-])c1 ZINC001656081537 1195996034 /nfs/dbraw/zinc/99/60/34/1195996034.db2.gz CFIWDKBNHQVROY-SNVBAGLBSA-N 1 0 314.297 3.145 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cncc3ccccc32)cc1[N+](=O)[O-] ZINC001656381620 1196034444 /nfs/dbraw/zinc/03/44/44/1196034444.db2.gz ZUMSHJFOHUKWCS-UHFFFAOYSA-N 1 0 323.352 3.441 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[NH+](C(C)C)C(C)C ZINC001656613612 1196054558 /nfs/dbraw/zinc/05/45/58/1196054558.db2.gz ZAZCKFVIHBQJOS-UHFFFAOYSA-N 1 0 307.438 3.420 20 5 DGBDRO CCCC1(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CCC1 ZINC001656904113 1196081881 /nfs/dbraw/zinc/08/18/81/1196081881.db2.gz VUIPAHUDDVDBGW-UHFFFAOYSA-N 1 0 308.378 3.369 20 5 DGBDRO C[C@@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(C)(C)C ZINC001656976704 1196088308 /nfs/dbraw/zinc/08/83/08/1196088308.db2.gz KNCMKHHTYXIQLL-AWEZNQCLSA-N 1 0 305.422 3.399 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cncc2ccccc21 ZINC001656999631 1196091298 /nfs/dbraw/zinc/09/12/98/1196091298.db2.gz XRDKRGVHLVNHCU-UHFFFAOYSA-N 1 0 323.352 3.441 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C/C=C\c2ccc(F)cc2)cc1 ZINC001657109489 1196107240 /nfs/dbraw/zinc/10/72/40/1196107240.db2.gz YQDOQDQNEBRGHW-UPHRSURJSA-N 1 0 316.332 3.416 20 5 DGBDRO CC[C@@](C)(C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC001657242386 1196122891 /nfs/dbraw/zinc/12/28/91/1196122891.db2.gz GHPHXZHCLLAPII-AWEZNQCLSA-N 1 0 300.786 3.495 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC001657337267 1196131824 /nfs/dbraw/zinc/13/18/24/1196131824.db2.gz WEPXQBHMZOCLOP-TZMCWYRMSA-N 1 0 310.419 3.367 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H](SC)C1 ZINC001657337264 1196131990 /nfs/dbraw/zinc/13/19/90/1196131990.db2.gz WEPXQBHMZOCLOP-GXTWGEPZSA-N 1 0 310.419 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C2)nc1 ZINC001657625206 1196161579 /nfs/dbraw/zinc/16/15/79/1196161579.db2.gz JBEFFEXVEAYLRF-AWEZNQCLSA-N 1 0 316.405 3.056 20 5 DGBDRO COc1ccc(C[NH2+]CCC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC001657752884 1196175348 /nfs/dbraw/zinc/17/53/48/1196175348.db2.gz QLVMVXIWYQAIAK-CQSZACIVSA-N 1 0 308.378 3.042 20 5 DGBDRO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC001657864793 1196189281 /nfs/dbraw/zinc/18/92/81/1196189281.db2.gz JJWAHUHGGSRJHG-AWEZNQCLSA-N 1 0 300.358 3.150 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cncc2ccccc21 ZINC001657887831 1196190919 /nfs/dbraw/zinc/19/09/19/1196190919.db2.gz UUHYIDUAHDBDSF-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC2CCCCCC2)c1[N+](=O)[O-] ZINC001658116984 1196213760 /nfs/dbraw/zinc/21/37/60/1196213760.db2.gz LVJMSROUCONMCR-UHFFFAOYSA-N 1 0 308.378 3.369 20 5 DGBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H]1C ZINC001658341370 1196244255 /nfs/dbraw/zinc/24/42/55/1196244255.db2.gz RLBBGMYMJXPVQY-KBPBESRZSA-N 1 0 319.405 3.352 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC001658347504 1196245940 /nfs/dbraw/zinc/24/59/40/1196245940.db2.gz TVPKWUNDKUUMBZ-GXTWGEPZSA-N 1 0 320.389 3.225 20 5 DGBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001658598735 1196278602 /nfs/dbraw/zinc/27/86/02/1196278602.db2.gz MJSAOBNLHPMRRW-UOJCXKCYSA-N 1 0 304.390 3.073 20 5 DGBDRO CCCCC1([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC001660557429 1196497142 /nfs/dbraw/zinc/49/71/42/1196497142.db2.gz PYRZQMBBJVACOL-OAHLLOKOSA-N 1 0 317.389 3.013 20 5 DGBDRO CCCCC1([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001660557686 1196497172 /nfs/dbraw/zinc/49/71/72/1196497172.db2.gz VPPHNFWKIBVXDV-LBPRGKRZSA-N 1 0 305.378 3.234 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001660640930 1196507719 /nfs/dbraw/zinc/50/77/19/1196507719.db2.gz BIOYNZKUQBROOO-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO COc1nc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])ccc1C ZINC001660792893 1196525016 /nfs/dbraw/zinc/52/50/16/1196525016.db2.gz MKNOYPFRHYTQAH-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cccc3ncccc23)cc1[N+](=O)[O-] ZINC001661340022 1196595903 /nfs/dbraw/zinc/59/59/03/1196595903.db2.gz JYUMUIKJXFSDAI-UHFFFAOYSA-N 1 0 323.352 3.441 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCNCc1cccc([N+](=O)[O-])c1C ZINC001661391244 1196600572 /nfs/dbraw/zinc/60/05/72/1196600572.db2.gz OBYSARJVHKZQFT-INIZCTEOSA-N 1 0 305.422 3.257 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(N(C)C)s2)cc1[N+](=O)[O-] ZINC001661595729 1196622875 /nfs/dbraw/zinc/62/28/75/1196622875.db2.gz ZCHBZROLNRVMEG-LLVKDONJSA-N 1 0 320.418 3.277 20 5 DGBDRO CC[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001663317047 1196833436 /nfs/dbraw/zinc/83/34/36/1196833436.db2.gz YTSJKEHLLSZACL-AWEZNQCLSA-N 1 0 322.405 3.361 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC001663370465 1196850665 /nfs/dbraw/zinc/85/06/65/1196850665.db2.gz IGEFPKMJCFMENU-PBHICJAKSA-N 1 0 304.390 3.259 20 5 DGBDRO CCCC(=O)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001717944447 1203730906 /nfs/dbraw/zinc/73/09/06/1203730906.db2.gz AFFOTPPLKZVTMU-UHFFFAOYSA-N 1 0 321.421 3.064 20 5 DGBDRO O=[N+]([O-])c1cc(NCC[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC001169564887 1081593034 /nfs/dbraw/zinc/59/30/34/1081593034.db2.gz YYMUVLQAAZVNRL-SNVBAGLBSA-N 1 0 303.284 3.168 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001169717873 1081638503 /nfs/dbraw/zinc/63/85/03/1081638503.db2.gz MRSVJWWUXXMKAO-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO O=[N+]([O-])c1c(NCC23CC[NH+](CC2)CC3)ccc2cnccc21 ZINC001169795780 1081656461 /nfs/dbraw/zinc/65/64/61/1081656461.db2.gz FOZYHUNDMFOLMV-UHFFFAOYSA-N 1 0 312.373 3.041 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC001156379283 1081658190 /nfs/dbraw/zinc/65/81/90/1081658190.db2.gz SPTBHCURFPCTGN-NSHDSACASA-N 1 0 312.801 3.095 20 5 DGBDRO Cc1ccccc1OCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001648891855 1081955898 /nfs/dbraw/zinc/95/58/98/1081955898.db2.gz SLVGXRGJIXBTOL-UHFFFAOYSA-N 1 0 300.358 3.380 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC001170293044 1082336363 /nfs/dbraw/zinc/33/63/63/1082336363.db2.gz JKSXKAIXCXTICZ-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170294876 1082337402 /nfs/dbraw/zinc/33/74/02/1082337402.db2.gz DUPBSCVBTMJRBP-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC001170296725 1082338167 /nfs/dbraw/zinc/33/81/67/1082338167.db2.gz HWKOJSHRGKQSSE-WDEREUQCSA-N 1 0 321.402 3.342 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC001170300436 1082338243 /nfs/dbraw/zinc/33/82/43/1082338243.db2.gz ZXMMJMIUTOZZOX-NSHDSACASA-N 1 0 304.346 3.226 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC001170300290 1082338511 /nfs/dbraw/zinc/33/85/11/1082338511.db2.gz YZEREMCYEOIURO-CYBMUJFWSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]CC2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170299175 1082338534 /nfs/dbraw/zinc/33/85/34/1082338534.db2.gz ROHVLMUTXWACAD-JTQLQIEISA-N 1 0 314.332 3.169 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2F)c([N+](=O)[O-])c1 ZINC001170299277 1082338685 /nfs/dbraw/zinc/33/86/85/1082338685.db2.gz UORHJTYJSMWDPO-KCPJHIHWSA-N 1 0 310.369 3.405 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ncc(C)s2)c([N+](=O)[O-])c1 ZINC001170317474 1082345019 /nfs/dbraw/zinc/34/50/19/1082345019.db2.gz JDHPLDZTMOQLRQ-JTQLQIEISA-N 1 0 321.402 3.089 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]CCCOC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170321915 1082346486 /nfs/dbraw/zinc/34/64/86/1082346486.db2.gz FCWYVBLPKWVXNV-CYBMUJFWSA-N 1 0 324.421 3.329 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@](C)(CF)C2)c([N+](=O)[O-])c1 ZINC001170328722 1082347345 /nfs/dbraw/zinc/34/73/45/1082347345.db2.gz LQVSCQALEOLRFD-WBMJQRKESA-N 1 0 310.369 3.216 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170328381 1082347934 /nfs/dbraw/zinc/34/79/34/1082347934.db2.gz KGZYQAZUCAFMTD-GXTWGEPZSA-N 1 0 310.369 3.358 20 5 DGBDRO COc1ccnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001170453091 1082479703 /nfs/dbraw/zinc/47/97/03/1082479703.db2.gz JXUPLIWUIAGLLR-UHFFFAOYSA-N 1 0 322.409 3.062 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC[C@@H]2F)c(Cl)cc1Cl ZINC001217972647 1082976222 /nfs/dbraw/zinc/97/62/22/1082976222.db2.gz QJVZBQOUULMEJS-CABZTGNLSA-N 1 0 323.151 3.371 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC001181234717 1083437248 /nfs/dbraw/zinc/43/72/48/1083437248.db2.gz OZRHOUBHKSCCGM-AGIUHOORSA-N 1 0 322.405 3.471 20 5 DGBDRO Cc1nc2cc(CNc3cc4c(cc3[N+](=O)[O-])C[NH2+]C4)ccc2o1 ZINC001167758687 1083654311 /nfs/dbraw/zinc/65/43/11/1083654311.db2.gz RKIJDVFPAXGGCJ-UHFFFAOYSA-N 1 0 324.340 3.260 20 5 DGBDRO CCC(CC)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](C)C ZINC001184740558 1084257816 /nfs/dbraw/zinc/25/78/16/1084257816.db2.gz QZKJNJFLMLCFSR-HNNXBMFYSA-N 1 0 319.409 3.249 20 5 DGBDRO Cc1cc(Nc2cnn(-c3cc[nH+]cc3)c2)c([N+](=O)[O-])s1 ZINC001185231012 1084387051 /nfs/dbraw/zinc/38/70/51/1084387051.db2.gz PWMTXUJPUFUGKU-UHFFFAOYSA-N 1 0 301.331 3.289 20 5 DGBDRO C[N@@H+]1C[C@@]2(C)CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001187215088 1084775846 /nfs/dbraw/zinc/77/58/46/1084775846.db2.gz AMRIMDXAVGHEFM-GASCZTMLSA-N 1 0 309.797 3.026 20 5 DGBDRO C[C@@H](OCC[N+](C)(C)C)c1ccc(F)c(Br)c1 ZINC001224776010 1087446832 /nfs/dbraw/zinc/44/68/32/1087446832.db2.gz REUAKWVZELUTCX-SNVBAGLBSA-N 1 0 305.211 3.372 20 5 DGBDRO Cc1ccnc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158268684 1087752875 /nfs/dbraw/zinc/75/28/75/1087752875.db2.gz QCWRMBGEMRQHNL-WBMJQRKESA-N 1 0 306.410 3.254 20 5 DGBDRO CC[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C(C)(C)C1 ZINC001158569550 1087916730 /nfs/dbraw/zinc/91/67/30/1087916730.db2.gz RDIYMKMRCRXCFW-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[NH+]1CC2(CN(c3ccc4ccc5ccc(Cl)nc5c4n3)C2)C1 ZINC001158865704 1088075967 /nfs/dbraw/zinc/07/59/67/1088075967.db2.gz AYUXVPJIRVGDHG-UHFFFAOYSA-N 1 0 324.815 3.188 20 5 DGBDRO C[NH+]1CC2(CN(C(=O)c3c4ccccc4cc4ccccc43)C2)C1 ZINC001153492871 1088260760 /nfs/dbraw/zinc/26/07/60/1088260760.db2.gz YUPUYFFWTVFBOH-UHFFFAOYSA-N 1 0 316.404 3.381 20 5 DGBDRO Cc1c(Nc2cccc(CC[NH3+])c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159671858 1088440093 /nfs/dbraw/zinc/44/00/93/1088440093.db2.gz KEPOTYWBYGDWPY-UHFFFAOYSA-N 1 0 316.317 3.056 20 5 DGBDRO Cc1c(Nc2cccc3c2C[NH2+]C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159767715 1088477053 /nfs/dbraw/zinc/47/70/53/1088477053.db2.gz UQHDNTDQSLJDKQ-UHFFFAOYSA-N 1 0 314.301 3.158 20 5 DGBDRO COc1ccc(Nc2ccc([C@@H]3CC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001159776373 1088479563 /nfs/dbraw/zinc/47/95/63/1088479563.db2.gz SZFVAYVKQWTKGQ-CYBMUJFWSA-N 1 0 313.357 3.424 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)c1 ZINC001159919949 1088548882 /nfs/dbraw/zinc/54/88/82/1088548882.db2.gz SKFZBNWOWSYJNL-CQSZACIVSA-N 1 0 317.320 3.218 20 5 DGBDRO [NH3+][C@@H]1CCCN(c2ccccc2Nc2ccccc2[N+](=O)[O-])C1 ZINC001159978627 1088583580 /nfs/dbraw/zinc/58/35/80/1088583580.db2.gz VZFWKBSWMMNPEL-CYBMUJFWSA-N 1 0 312.373 3.266 20 5 DGBDRO [NH3+][C@@H]1CCCN(c2ccccc2Nc2cccc([N+](=O)[O-])c2)C1 ZINC001159978610 1088585180 /nfs/dbraw/zinc/58/51/80/1088585180.db2.gz VHNHPKBRPSCDPG-CYBMUJFWSA-N 1 0 312.373 3.266 20 5 DGBDRO [NH3+][C@H]1CCCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001159980058 1088586527 /nfs/dbraw/zinc/58/65/27/1088586527.db2.gz ALHCXEQMJHHBTP-ZDUSSCGKSA-N 1 0 312.373 3.266 20 5 DGBDRO [NH3+]CCN(c1cccc([N+](=O)[O-])n1)c1cccc2ccccc21 ZINC001154679612 1088710872 /nfs/dbraw/zinc/71/08/72/1088710872.db2.gz JBNCLRAOOBUPEH-UHFFFAOYSA-N 1 0 308.341 3.240 20 5 DGBDRO Cc1ccc(Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)cc1[N+](=O)[O-] ZINC001160401275 1088786590 /nfs/dbraw/zinc/78/65/90/1088786590.db2.gz YRZILDULCHDEIZ-LRDDRELGSA-N 1 0 311.341 3.095 20 5 DGBDRO Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc2ccc([N+](=O)[O-])cc12 ZINC001154974611 1088862736 /nfs/dbraw/zinc/86/27/36/1088862736.db2.gz FFZZVLFGDMQGJO-VXGBXAGGSA-N 1 0 300.362 3.133 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001154990964 1088879354 /nfs/dbraw/zinc/87/93/54/1088879354.db2.gz ZRRBAGSKWLTCLK-NXEZZACHSA-N 1 0 320.780 3.478 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NCc2ccccc2C[NH3+])n1 ZINC001160906291 1089010861 /nfs/dbraw/zinc/01/08/61/1089010861.db2.gz SBZHDZUNTBYVNG-UHFFFAOYSA-N 1 0 306.753 3.022 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001155298657 1089055069 /nfs/dbraw/zinc/05/50/69/1089055069.db2.gz IRIRRWGOCRCJPR-AWEZNQCLSA-N 1 0 320.352 3.165 20 5 DGBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c1 ZINC001155347870 1089079098 /nfs/dbraw/zinc/07/90/98/1089079098.db2.gz HUEYKMVSHPKKKW-SNVBAGLBSA-N 1 0 321.340 3.435 20 5 DGBDRO CC(C)Oc1nc(Nc2cccc(CC[NH3+])c2)ccc1[N+](=O)[O-] ZINC001161077596 1089106593 /nfs/dbraw/zinc/10/65/93/1089106593.db2.gz RSCLTDLAZYPMGS-UHFFFAOYSA-N 1 0 316.361 3.022 20 5 DGBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC[PH+](C(C)C)C(C)C ZINC001162361818 1089696300 /nfs/dbraw/zinc/69/63/00/1089696300.db2.gz GHHZERABOUPITD-UHFFFAOYSA-N 1 0 313.338 3.247 20 5 DGBDRO C[NH+](C)[C@@H](CNc1cccc(C(F)(F)F)c1[N+](=O)[O-])C1CC1 ZINC001162423921 1089728314 /nfs/dbraw/zinc/72/83/14/1089728314.db2.gz FAMWGLBNWXKZFR-LBPRGKRZSA-N 1 0 317.311 3.366 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001162454870 1089739291 /nfs/dbraw/zinc/73/92/91/1089739291.db2.gz AUGDXNDZDCVZFC-AAEUAGOBSA-N 1 0 302.378 3.124 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC001162465231 1089747940 /nfs/dbraw/zinc/74/79/40/1089747940.db2.gz DZUHSEUKYXWQCG-OLZOCXBDSA-N 1 0 314.389 3.191 20 5 DGBDRO CC(C)Oc1nc(Nc2ccc(C[NH3+])c(F)c2)ccc1[N+](=O)[O-] ZINC001162528576 1089775246 /nfs/dbraw/zinc/77/52/46/1089775246.db2.gz IAUPFHATUFDMHG-UHFFFAOYSA-N 1 0 320.324 3.118 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162583482 1089808383 /nfs/dbraw/zinc/80/83/83/1089808383.db2.gz OZWYXIWNHASGTM-INIZCTEOSA-N 1 0 309.385 3.414 20 5 DGBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001162762175 1089932211 /nfs/dbraw/zinc/93/22/11/1089932211.db2.gz CILFTWJMTNLMJN-MRVPVSSYSA-N 1 0 317.736 3.002 20 5 DGBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCCC1 ZINC001157450862 1089972356 /nfs/dbraw/zinc/97/23/56/1089972356.db2.gz GYVOGAVOHSJCKN-FQEVSTJZSA-N 1 0 318.420 3.485 20 5 DGBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc3ncc([N+](=O)[O-])n3c2)c1 ZINC001162909266 1090018996 /nfs/dbraw/zinc/01/89/96/1090018996.db2.gz LDHNPLDXWUHYNR-LLVKDONJSA-N 1 0 321.340 3.206 20 5 DGBDRO C[N@H+]1CC=C(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001162922824 1090026195 /nfs/dbraw/zinc/02/61/95/1090026195.db2.gz ZIPUMARJGRHXOV-UHFFFAOYSA-N 1 0 315.295 3.287 20 5 DGBDRO CN(CC1([NH+](C)C)CCC1)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001163098984 1090075906 /nfs/dbraw/zinc/07/59/06/1090075906.db2.gz AFVKEZUFIUZPSV-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@H]1[C@H]([NH3+])CCCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001157738972 1090092518 /nfs/dbraw/zinc/09/25/18/1090092518.db2.gz AXBOICFZLIUNPV-GXSJLCMTSA-N 1 0 320.780 3.112 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001157942206 1090154692 /nfs/dbraw/zinc/15/46/92/1090154692.db2.gz SBNFUFPTPQLRLL-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DGBDRO Cc1c(C)c(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001163367381 1090167141 /nfs/dbraw/zinc/16/71/41/1090167141.db2.gz YXAPGNQAVPCHPZ-BXUZGUMPSA-N 1 0 306.410 3.137 20 5 DGBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ccc2ccc3cccnc3c2n1 ZINC001164460191 1090426955 /nfs/dbraw/zinc/42/69/55/1090426955.db2.gz AJARKPQGWYDKIE-KGLIPLIRSA-N 1 0 306.413 3.347 20 5 DGBDRO CC(C)(C)[NH+]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001165091493 1090464232 /nfs/dbraw/zinc/46/42/32/1090464232.db2.gz RJIZACIRULVFQS-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO COc1cc(C)c([N+](=O)[O-])cc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165277815 1090494773 /nfs/dbraw/zinc/49/47/73/1090494773.db2.gz AINHSBOIUNZQPU-CYBMUJFWSA-N 1 0 307.394 3.056 20 5 DGBDRO CCOc1cc([N+](=O)[O-])ccc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165278761 1090495246 /nfs/dbraw/zinc/49/52/46/1090495246.db2.gz LJCVZIQABCRJRQ-CYBMUJFWSA-N 1 0 307.394 3.137 20 5 DGBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001165319815 1090501814 /nfs/dbraw/zinc/50/18/14/1090501814.db2.gz LULULICCJGNSIA-ZDUSSCGKSA-N 1 0 324.812 3.002 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCCC[C@H]2C2CC[NH2+]CC2)n1 ZINC001165320219 1090502137 /nfs/dbraw/zinc/50/21/37/1090502137.db2.gz OZAHRJIJYGZXRI-ZDUSSCGKSA-N 1 0 324.812 3.002 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001168600694 1090598840 /nfs/dbraw/zinc/59/88/40/1090598840.db2.gz ANUZGGCBSQAYQT-ZFWWWQNUSA-N 1 0 302.378 3.361 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC001203665125 1090775738 /nfs/dbraw/zinc/77/57/38/1090775738.db2.gz JIGWESBDONAMRP-HNNXBMFYSA-N 1 0 322.405 3.288 20 5 DGBDRO CC1=CCC[C@@H](C)[C@H]1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001205709282 1091318652 /nfs/dbraw/zinc/31/86/52/1091318652.db2.gz WNVMIIAYLUXIFJ-CABCVRRESA-N 1 0 303.406 3.352 20 5 DGBDRO C[C@@H]1CCC[C@H](C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001206195265 1091529888 /nfs/dbraw/zinc/52/98/88/1091529888.db2.gz QNUDMFAPMWFCEE-KGLIPLIRSA-N 1 0 304.390 3.484 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Br)c(F)cc1F ZINC001230952675 1091647815 /nfs/dbraw/zinc/64/78/15/1091647815.db2.gz ZXIQICAWLOJYBW-QMMMGPOBSA-N 1 0 309.174 3.201 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOc2cccc3ccccc32)C1 ZINC001168978209 1092456165 /nfs/dbraw/zinc/45/61/65/1092456165.db2.gz PVIQZMYXHGIYRO-GDBMZVCRSA-N 1 0 314.385 3.254 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCCCCCCCCO)C1 ZINC001168980396 1092459065 /nfs/dbraw/zinc/45/90/65/1092459065.db2.gz DFHBAEQHIYPHSC-HOTGVXAUSA-N 1 0 300.443 3.135 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC001168984264 1092460355 /nfs/dbraw/zinc/46/03/55/1092460355.db2.gz LNUJMJJYNCHJNM-JLSDUUJJSA-N 1 0 318.417 3.189 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3nccs3)cc2)C1 ZINC001168986195 1092462812 /nfs/dbraw/zinc/46/28/12/1092462812.db2.gz WXBOHYQOUACAFW-HIFRSBDPSA-N 1 0 317.414 3.345 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC001168956887 1092462878 /nfs/dbraw/zinc/46/28/78/1092462878.db2.gz GGFSXGOUAOZEGD-DGCLKSJQSA-N 1 0 302.296 3.240 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC001168958758 1092463052 /nfs/dbraw/zinc/46/30/52/1092463052.db2.gz PEYLHNUUXWVCBD-PWSUYJOCSA-N 1 0 318.295 3.120 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2c(F)ccc(Cl)c2F)C1 ZINC001168964769 1092466605 /nfs/dbraw/zinc/46/66/05/1092466605.db2.gz WBKYFCQCLCCOMQ-BDAKNGLRSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC001168966563 1092468094 /nfs/dbraw/zinc/46/80/94/1092468094.db2.gz JMNJZHIEHPIHJL-VXGBXAGGSA-N 1 0 318.295 3.120 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001168967116 1092468207 /nfs/dbraw/zinc/46/82/07/1092468207.db2.gz NIHNDMMJUXIAAE-MNOVXSKESA-N 1 0 320.286 3.380 20 5 DGBDRO [NH2+]=C(N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001168967342 1092468247 /nfs/dbraw/zinc/46/82/47/1092468247.db2.gz OUEFVKPXLJTZOT-QDCKZUPOSA-N 1 0 305.422 3.215 20 5 DGBDRO [NH2+]=C(N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001168967340 1092468719 /nfs/dbraw/zinc/46/87/19/1092468719.db2.gz OUEFVKPXLJTZOT-DVMIWYLISA-N 1 0 305.422 3.215 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C1 ZINC001168966785 1092468761 /nfs/dbraw/zinc/46/87/61/1092468761.db2.gz KZSFMMVNKSPMAU-JSGCOSHPSA-N 1 0 317.414 3.345 20 5 DGBDRO Cc1c(CC[NH3+])c2ccccc2n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968199 1092470483 /nfs/dbraw/zinc/47/04/83/1092470483.db2.gz XIWNJJLAOSXWDJ-UONOGXRCSA-N 1 0 301.390 3.069 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCSc2ccc(Cl)cc2)C1 ZINC001168967745 1092470914 /nfs/dbraw/zinc/47/09/14/1092470914.db2.gz SWZKWSJJFXAVHR-DGCLKSJQSA-N 1 0 314.838 3.467 20 5 DGBDRO Cc1c(CC[NH3+])c2ccccc2n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968197 1092470980 /nfs/dbraw/zinc/47/09/80/1092470980.db2.gz XIWNJJLAOSXWDJ-KBPBESRZSA-N 1 0 301.390 3.069 20 5 DGBDRO Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1Cl ZINC001168967641 1092471080 /nfs/dbraw/zinc/47/10/80/1092471080.db2.gz RTAKPTCHTNGQNF-GHMZBOCLSA-N 1 0 300.761 3.323 20 5 DGBDRO CCCCOc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168968910 1092471115 /nfs/dbraw/zinc/47/11/15/1092471115.db2.gz BEYAAWUOGMBCJP-HOTGVXAUSA-N 1 0 306.406 3.401 20 5 DGBDRO COc1ccccc1C1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168992487 1092476987 /nfs/dbraw/zinc/47/69/87/1092476987.db2.gz KBYHKUAHSJQVMY-KGLIPLIRSA-N 1 0 304.390 3.109 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(CC3CCC3)CCOCC2)C1 ZINC001168998565 1092478893 /nfs/dbraw/zinc/47/88/93/1092478893.db2.gz OQAXVMYRSJRMSZ-HZPDHXFCSA-N 1 0 310.438 3.008 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccncc2Cl)C2CC2)C1 ZINC001168997513 1092479530 /nfs/dbraw/zinc/47/95/30/1092479530.db2.gz CURUSGFPBDVBFJ-GMXABZIVSA-N 1 0 309.797 3.221 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC001168997880 1092479553 /nfs/dbraw/zinc/47/95/53/1092479553.db2.gz GDVZAYNDUDJPEM-FZMZJTMJSA-N 1 0 319.336 3.016 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3F)CCC2)C1 ZINC001169000288 1092480572 /nfs/dbraw/zinc/48/05/72/1092480572.db2.gz XJJNSZSXFNDUNB-HIFRSBDPSA-N 1 0 306.381 3.326 20 5 DGBDRO COc1cccc(CC2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001168999890 1092480659 /nfs/dbraw/zinc/48/06/59/1092480659.db2.gz WBLPOTGUSCDWNX-CVEARBPZSA-N 1 0 318.417 3.195 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)C1 ZINC001169010227 1092488184 /nfs/dbraw/zinc/48/81/84/1092488184.db2.gz BMCRWXKHYHIAAX-NVXWUHKLSA-N 1 0 312.413 3.492 20 5 DGBDRO COc1cccc(CC(C)(C)C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168990030 1092491956 /nfs/dbraw/zinc/49/19/56/1092491956.db2.gz AWKAWDLLHNOMMU-HOTGVXAUSA-N 1 0 320.433 3.299 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC001168989374 1092492602 /nfs/dbraw/zinc/49/26/02/1092492602.db2.gz WIWISZVJYNBCFZ-RDJZCZTQSA-N 1 0 317.433 3.212 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CC(OCC4CC4)C3)CC2)C1 ZINC001169030376 1092494182 /nfs/dbraw/zinc/49/41/82/1092494182.db2.gz ZCSKQMPSEFQCMV-HOTGVXAUSA-N 1 0 322.449 3.103 20 5 DGBDRO COc1ccccc1C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036772 1092498584 /nfs/dbraw/zinc/49/85/84/1092498584.db2.gz PYOAVAJSCNDNKN-GDBMZVCRSA-N 1 0 318.417 3.320 20 5 DGBDRO COc1ccc(C2=CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169042165 1092500338 /nfs/dbraw/zinc/50/03/38/1092500338.db2.gz DHKDGHSAGQGHSF-RHSMWYFYSA-N 1 0 316.401 3.230 20 5 DGBDRO COc1ccc(C2=CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169042431 1092500798 /nfs/dbraw/zinc/50/07/98/1092500798.db2.gz DHKDGHSAGQGHSF-YOEHRIQHSA-N 1 0 316.401 3.230 20 5 DGBDRO COc1ccccc1C[C@H](C)[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047455 1092506938 /nfs/dbraw/zinc/50/69/38/1092506938.db2.gz RCSNQRFXEUBZSE-LZWOXQAQSA-N 1 0 306.406 3.003 20 5 DGBDRO CC1(C)C[C@@H](Nc2cnc(F)c([N+](=O)[O-])c2)C[C@@](C)(C[NH3+])C1 ZINC001169151192 1092564725 /nfs/dbraw/zinc/56/47/25/1092564725.db2.gz GUKUPDPDDUTOGY-IAQYHMDHSA-N 1 0 310.373 3.085 20 5 DGBDRO [NH3+]Cc1cccc2c1cnn2-c1cc([N+](=O)[O-])ccc1Cl ZINC001169192887 1092581059 /nfs/dbraw/zinc/58/10/59/1092581059.db2.gz TUWPZEAUDDSQLU-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)OCc1cccc(C(=O)OC(C)(C)C)c1 ZINC001211338028 1093464930 /nfs/dbraw/zinc/46/49/30/1093464930.db2.gz PFSYSJAWQUUUIU-AWEZNQCLSA-N 1 0 308.442 3.253 20 5 DGBDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001120024920 1094352465 /nfs/dbraw/zinc/35/24/65/1094352465.db2.gz PACKIJNJLXUGRU-MRXNPFEDSA-N 1 0 320.776 3.380 20 5 DGBDRO Cc1cccc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1[N+](=O)[O-] ZINC001120071712 1094370677 /nfs/dbraw/zinc/37/06/77/1094370677.db2.gz AXMSIHZFTVISOV-KKUMJFAQSA-N 1 0 303.406 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2C[NH2+]CCC[C@H]2F)c2ccccc21 ZINC001217773722 1094494411 /nfs/dbraw/zinc/49/44/11/1094494411.db2.gz KQSHNCOXDUBXJW-NVXWUHKLSA-N 1 0 318.348 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](OCCCCC1CC[NH2+]CC1)C2 ZINC001217787594 1094495175 /nfs/dbraw/zinc/49/51/75/1094495175.db2.gz CWLADFJKFKUHTB-SFHVURJKSA-N 1 0 318.417 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCCC[NH2+]C2)c(C(F)(F)F)c1 ZINC001217972618 1094536007 /nfs/dbraw/zinc/53/60/07/1094536007.db2.gz UMPRQJWPBGCSKV-JTQLQIEISA-N 1 0 304.268 3.135 20 5 DGBDRO F[C@@H]1CCC[NH2+]C[C@H]1Oc1cccc2nc3ccccc3nc21 ZINC001217982926 1094541614 /nfs/dbraw/zinc/54/16/14/1094541614.db2.gz XPRCOOIFDMIUOO-SJKOYZFVSA-N 1 0 311.360 3.252 20 5 DGBDRO C[C@@H](Oc1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001218004687 1094552923 /nfs/dbraw/zinc/55/29/23/1094552923.db2.gz GEPDHQGODIHLDC-SECBINFHSA-N 1 0 318.295 3.381 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc2nccn21 ZINC001135495105 1094554448 /nfs/dbraw/zinc/55/44/48/1094554448.db2.gz QLSAXSOVZFZAIW-UHFFFAOYSA-N 1 0 310.313 3.112 20 5 DGBDRO O=[N+]([O-])c1c(O[C@H]2CC[NH2+]CC[C@H]2F)ccc2ccccc21 ZINC001218018095 1094562860 /nfs/dbraw/zinc/56/28/60/1094562860.db2.gz MAYNXLRMROTPCW-KGLIPLIRSA-N 1 0 304.321 3.217 20 5 DGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C[NH2+]C[C@@H]2F)c1Cl ZINC001218019156 1094563157 /nfs/dbraw/zinc/56/31/57/1094563157.db2.gz FMDHAUVFOUEIJI-WPRPVWTQSA-N 1 0 323.151 3.153 20 5 DGBDRO C[C@H]1C[C@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)CC[NH2+]1 ZINC001218050360 1094577084 /nfs/dbraw/zinc/57/70/84/1094577084.db2.gz QVGRUTOZHUVZEL-GXTWGEPZSA-N 1 0 309.365 3.466 20 5 DGBDRO C[C@@H]1C[C@@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1 ZINC001218049270 1094577373 /nfs/dbraw/zinc/57/73/73/1094577373.db2.gz KGXPWOMPKPLTAA-SCZZXKLOSA-N 1 0 304.268 3.133 20 5 DGBDRO C[C@@H]1C[C@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218056224 1094579304 /nfs/dbraw/zinc/57/93/04/1094579304.db2.gz MIUYCLNNAADIJA-RKDXNWHRSA-N 1 0 320.267 3.013 20 5 DGBDRO C[C@H]1C[C@@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218056223 1094579438 /nfs/dbraw/zinc/57/94/38/1094579438.db2.gz MIUYCLNNAADIJA-IUCAKERBSA-N 1 0 320.267 3.013 20 5 DGBDRO C[C@@H]1C[C@H](Oc2ccc3c(c2)oc2ccccc2c3=O)CC[NH2+]1 ZINC001218057463 1094580190 /nfs/dbraw/zinc/58/01/90/1094580190.db2.gz RQMHZPGHDODVMI-TZMCWYRMSA-N 1 0 309.365 3.466 20 5 DGBDRO C[C@H]1C[C@@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218060441 1094580426 /nfs/dbraw/zinc/58/04/26/1094580426.db2.gz MMVDNDICLRHUQZ-CBAPKCEASA-N 1 0 305.161 3.421 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(O[C@H]3CCC[C@]34CC[NH2+]C4)nc21 ZINC001218096800 1094601531 /nfs/dbraw/zinc/60/15/31/1094601531.db2.gz SRHZZUSVWKLZSU-WMLDXEAASA-N 1 0 313.357 3.054 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1OC1CC2(C1)CC[NH2+]CC2 ZINC001218103648 1094604352 /nfs/dbraw/zinc/60/43/52/1094604352.db2.gz PTQMDGKRGHTQDN-UHFFFAOYSA-N 1 0 314.744 3.298 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@H]3CC[C@@]34CC[NH2+]C4)nc2c1 ZINC001218117355 1094615475 /nfs/dbraw/zinc/61/54/75/1094615475.db2.gz MVKQCXKIVRDLFI-HKUYNNGSSA-N 1 0 305.381 3.304 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3CC[C@@]34CC[NH2+]C4)ccc21 ZINC001218119477 1094618119 /nfs/dbraw/zinc/61/81/19/1094618119.db2.gz SEVZQDHEOYUNLT-QUCCMNQESA-N 1 0 321.376 3.467 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CC[C@]23CC[NH2+]C3)c(Cl)c1 ZINC001218120737 1094618446 /nfs/dbraw/zinc/61/84/46/1094618446.db2.gz WONGNPZACYFVIU-WCQYABFASA-N 1 0 317.172 3.423 20 5 DGBDRO c1ccc2c(c1)nc(O[C@@H]1CC[NH2+][C@H]3CCO[C@@H]31)c1ccccc21 ZINC001218164954 1094640159 /nfs/dbraw/zinc/64/01/59/1094640159.db2.gz OQLIJNCQURDFOP-OTWHNJEPSA-N 1 0 320.392 3.286 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3CCC34C[NH2+]C4)c2)c1 ZINC001218240533 1094674575 /nfs/dbraw/zinc/67/45/75/1094674575.db2.gz DZQFNVUCEWYNGF-KRWDZBQOSA-N 1 0 310.353 3.393 20 5 DGBDRO Oc1c2ccccc2c(OC[C@@H]2C[NH2+]CCCO2)c2ccccc12 ZINC001218301164 1094704560 /nfs/dbraw/zinc/70/45/60/1094704560.db2.gz YUMDCBZBQRVXOC-AWEZNQCLSA-N 1 0 323.392 3.456 20 5 DGBDRO Cn1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC001336751752 1094720959 /nfs/dbraw/zinc/72/09/59/1094720959.db2.gz VRVAURVAONHJAX-UHFFFAOYSA-N 1 0 314.389 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218399889 1094752457 /nfs/dbraw/zinc/75/24/57/1094752457.db2.gz QKJJOXRXYYYAJK-GFCCVEGCSA-N 1 0 316.279 3.135 20 5 DGBDRO C[C@@H]1CC[C@@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218407401 1094758400 /nfs/dbraw/zinc/75/84/00/1094758400.db2.gz MAZPRNLUWSTNHP-UKRRQHHQSA-N 1 0 319.405 3.104 20 5 DGBDRO c1ccc2nc3cc(O[C@@H]4C[NH2+]CCC45CC5)ccc3nc2c1 ZINC001218407144 1094758511 /nfs/dbraw/zinc/75/85/11/1094758511.db2.gz YBRJLSDXJPZWJA-GOSISDBHSA-N 1 0 305.381 3.304 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001218421320 1094767034 /nfs/dbraw/zinc/76/70/34/1094767034.db2.gz HFYXHZZKCOWZCU-CPCISQLKSA-N 1 0 305.161 3.278 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)c(Cl)c1 ZINC001336871573 1094767562 /nfs/dbraw/zinc/76/75/62/1094767562.db2.gz BCIMTBSHOBCIEW-SWLSCSKDSA-N 1 0 322.792 3.297 20 5 DGBDRO O=c1oc2cc(O[C@H]3[C@@H]4CC[C@H]3[NH2+]C4)ccc2c2ccccc21 ZINC001218441239 1094775695 /nfs/dbraw/zinc/77/56/95/1094775695.db2.gz CQQHRJWFTPGSKF-ONUMYQOESA-N 1 0 307.349 3.075 20 5 DGBDRO FC1(F)CC[NH2+]C[C@H]1Oc1cccc2nc3ccccc3nc21 ZINC001218446754 1094779783 /nfs/dbraw/zinc/77/97/83/1094779783.db2.gz FUMCVGHBKBZAIV-OAHLLOKOSA-N 1 0 315.323 3.159 20 5 DGBDRO CC(C)(C)c1ccc(O[C@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])c1 ZINC001218447633 1094780776 /nfs/dbraw/zinc/78/07/76/1094780776.db2.gz IIDGZYQGVAQNNG-ZDUSSCGKSA-N 1 0 314.332 3.268 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c(Cl)c1Cl ZINC001218461523 1094790574 /nfs/dbraw/zinc/79/05/74/1094790574.db2.gz SHVPVYRKEUWCKK-QXFUBDJGSA-N 1 0 317.172 3.278 20 5 DGBDRO CC1(C)C[C@H](Oc2nccc3c2cccc3[N+](=O)[O-])CC[NH2+]1 ZINC001218478971 1094803088 /nfs/dbraw/zinc/80/30/88/1094803088.db2.gz QRYGRDCUVCTPGW-LLVKDONJSA-N 1 0 301.346 3.052 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001218483760 1094804481 /nfs/dbraw/zinc/80/44/81/1094804481.db2.gz CGTUSRBNMWFFLC-HQJQHLMTSA-N 1 0 305.161 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(O[C@@H]2C[NH2+]Cc3ccccc32)c(F)c1 ZINC001218487412 1094815456 /nfs/dbraw/zinc/81/54/56/1094815456.db2.gz TWKQWRXVHYOTDE-CQSZACIVSA-N 1 0 306.268 3.096 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]Cc3ccccc32)cc1Cl ZINC001218490145 1094817561 /nfs/dbraw/zinc/81/75/61/1094817561.db2.gz XCHQVABZKMVEBW-OAHLLOKOSA-N 1 0 304.733 3.472 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+]1C ZINC001337340968 1094938959 /nfs/dbraw/zinc/93/89/59/1094938959.db2.gz ZGRWICNJBKQSLG-NEPJUHHUSA-N 1 0 300.362 3.038 20 5 DGBDRO CCOC(=O)[C@H]1CCC[C@@H]1Nc1ccccc1C[N+](C)(C)CC ZINC001170956146 1095015272 /nfs/dbraw/zinc/01/52/72/1095015272.db2.gz BNSRQCREEDKLGQ-WMZOPIPTSA-N 1 0 319.469 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC001337735104 1095076176 /nfs/dbraw/zinc/07/61/76/1095076176.db2.gz SHLWTIYNKWNKQW-JKSUJKDBSA-N 1 0 312.373 3.182 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001116743379 1095647036 /nfs/dbraw/zinc/64/70/36/1095647036.db2.gz KCEJRYKDLCAHQW-FHYOKYKPSA-N 1 0 316.401 3.499 20 5 DGBDRO CCOc1cc(N[C@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001339948453 1095789408 /nfs/dbraw/zinc/78/94/08/1095789408.db2.gz XGHLLHXYTKUKBC-UONOGXRCSA-N 1 0 307.394 3.278 20 5 DGBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)[C@H]2C1 ZINC001340000447 1095806145 /nfs/dbraw/zinc/80/61/45/1095806145.db2.gz WVAKQUVFZBNNQH-DUFXMDAXSA-N 1 0 311.332 3.285 20 5 DGBDRO Cc1c(CO[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC001223330077 1095938523 /nfs/dbraw/zinc/93/85/23/1095938523.db2.gz HJLGKYYBDKDCPB-HALDLXJZSA-N 1 0 304.390 3.150 20 5 DGBDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001340619787 1095990280 /nfs/dbraw/zinc/99/02/80/1095990280.db2.gz DGNGDCONZXHVIW-XJKSGUPXSA-N 1 0 321.421 3.095 20 5 DGBDRO CC[C@H](C)C[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001340619782 1095990912 /nfs/dbraw/zinc/99/09/12/1095990912.db2.gz DGNGDCONZXHVIW-BBRMVZONSA-N 1 0 321.421 3.095 20 5 DGBDRO [NH3+]CCc1cc2ccccc2n1-c1c(Cl)cncc1[N+](=O)[O-] ZINC001171304086 1096223241 /nfs/dbraw/zinc/22/32/41/1096223241.db2.gz DJKIASNKXIHLDK-UHFFFAOYSA-N 1 0 316.748 3.088 20 5 DGBDRO Cc1cc(O[C@@H](CC[NH+](C)C)c2ccccc2)ncc1[N+](=O)[O-] ZINC001225664215 1096497804 /nfs/dbraw/zinc/49/78/04/1096497804.db2.gz YFXQKVCDMMURDU-INIZCTEOSA-N 1 0 315.373 3.370 20 5 DGBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001225919066 1096564678 /nfs/dbraw/zinc/56/46/78/1096564678.db2.gz OMYLYHDSWBLFRE-UHFFFAOYSA-N 1 0 318.295 3.477 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225954362 1096572830 /nfs/dbraw/zinc/57/28/30/1096572830.db2.gz VMICRKFEJKRWTL-NSHDSACASA-N 1 0 318.295 3.477 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226199759 1096636844 /nfs/dbraw/zinc/63/68/44/1096636844.db2.gz ZOLJYHYHYJAUJL-SECBINFHSA-N 1 0 302.733 3.250 20 5 DGBDRO C[NH+]1CCC(Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC001226204907 1096637878 /nfs/dbraw/zinc/63/78/78/1096637878.db2.gz QHVCKHFWOHGYTB-UHFFFAOYSA-N 1 0 305.161 3.375 20 5 DGBDRO [NH3+]C[C@H]1COc2ccccc2N1c1cc([N+](=O)[O-])ccc1Cl ZINC001171398656 1096658182 /nfs/dbraw/zinc/65/81/82/1096658182.db2.gz BEZOQMIYISJVOW-NSHDSACASA-N 1 0 319.748 3.106 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH+]3CCC2CC3)c(C(F)(F)F)c1 ZINC001226311207 1096658382 /nfs/dbraw/zinc/65/83/82/1096658382.db2.gz NJVGOQIKXAWDMY-CYBMUJFWSA-N 1 0 316.279 3.087 20 5 DGBDRO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226311419 1096658596 /nfs/dbraw/zinc/65/85/96/1096658596.db2.gz QXFFVEPFAWZVCI-JTQLQIEISA-N 1 0 304.268 3.087 20 5 DGBDRO Nc1cc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc2[nH+]1 ZINC001226418062 1096684872 /nfs/dbraw/zinc/68/48/72/1096684872.db2.gz HWDMBMYMPUYAMS-CQSZACIVSA-N 1 0 321.336 3.271 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001226760715 1096769712 /nfs/dbraw/zinc/76/97/12/1096769712.db2.gz CRKGEFVSMWFLRR-NHAGDIPZSA-N 1 0 305.378 3.081 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1OC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001226762673 1096770065 /nfs/dbraw/zinc/77/00/65/1096770065.db2.gz YQARBCAJKUQXSC-UHFFFAOYSA-N 1 0 307.394 3.328 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226909495 1096813061 /nfs/dbraw/zinc/81/30/61/1096813061.db2.gz VOIFUAZXQITKCW-SECBINFHSA-N 1 0 302.733 3.249 20 5 DGBDRO CC[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226964630 1096829980 /nfs/dbraw/zinc/82/99/80/1096829980.db2.gz PRKOXEPMDSQREA-JTQLQIEISA-N 1 0 304.268 3.087 20 5 DGBDRO COC(=O)c1sc2ccccc2c1O[C@H](C)C[N+](C)(C)C ZINC001227196436 1096891491 /nfs/dbraw/zinc/89/14/91/1096891491.db2.gz RPQBICHDGQXXAM-LLVKDONJSA-N 1 0 308.423 3.161 20 5 DGBDRO COC(=O)c1sc2ccccc2c1O[C@@H](C)C[N+](C)(C)C ZINC001227196437 1096891916 /nfs/dbraw/zinc/89/19/16/1096891916.db2.gz RPQBICHDGQXXAM-NSHDSACASA-N 1 0 308.423 3.161 20 5 DGBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1C1CCCCC1 ZINC001227316935 1096915978 /nfs/dbraw/zinc/91/59/78/1096915978.db2.gz KHGWXNVVOOCNEW-MRXNPFEDSA-N 1 0 320.453 3.097 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1C(=O)Oc1ccccc1 ZINC001227415398 1096927679 /nfs/dbraw/zinc/92/76/79/1096927679.db2.gz IKOAPFFPXPXSRE-OAHLLOKOSA-N 1 0 314.405 3.379 20 5 DGBDRO CCC(C)(C)[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001171626583 1096938644 /nfs/dbraw/zinc/93/86/44/1096938644.db2.gz VSKMCQCBEQFRQO-AWEZNQCLSA-N 1 0 305.422 3.462 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1c(Cl)cccc1[N+](=O)[O-] ZINC001228001137 1097028855 /nfs/dbraw/zinc/02/88/55/1097028855.db2.gz RXXUQADSNQYZPK-GNXNZQSNSA-N 1 0 310.781 3.357 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC001228136192 1097060210 /nfs/dbraw/zinc/06/02/10/1097060210.db2.gz QOXNSLHYDRWKGA-ITGUQSILSA-N 1 0 313.357 3.147 20 5 DGBDRO CCN1CC[C@@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001228198736 1097071974 /nfs/dbraw/zinc/07/19/74/1097071974.db2.gz PAPWRSJBEIUZLY-SECBINFHSA-N 1 0 305.161 3.375 20 5 DGBDRO Cc1cc(C)c(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001228236654 1097079732 /nfs/dbraw/zinc/07/97/32/1097079732.db2.gz BACZMFPZHFOOEL-HALDLXJZSA-N 1 0 304.390 3.321 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(NC(=O)c2ccccc2)cc1 ZINC001228652179 1097158837 /nfs/dbraw/zinc/15/88/37/1097158837.db2.gz IEINFCASBHWMMP-HNNXBMFYSA-O 1 0 313.421 3.412 20 5 DGBDRO Cc1cc2[nH]c(OC3CCC([NH+](C)C)CC3)nc2cc1[N+](=O)[O-] ZINC001228674624 1097163790 /nfs/dbraw/zinc/16/37/90/1097163790.db2.gz KFSDFDCDEGIJTH-UHFFFAOYSA-N 1 0 318.377 3.031 20 5 DGBDRO c1ccc2nc3cc(O[C@H]4C[NH+]5CCC4CC5)ccc3nc2c1 ZINC001228739617 1097180595 /nfs/dbraw/zinc/18/05/95/1097180595.db2.gz BVNBHVFJHANJBZ-IBGZPJMESA-N 1 0 305.381 3.256 20 5 DGBDRO Cc1c(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001203181577 1097208964 /nfs/dbraw/zinc/20/89/64/1097208964.db2.gz ZWHMINUWOMMBRI-INIZCTEOSA-N 1 0 317.433 3.400 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001229005428 1097235074 /nfs/dbraw/zinc/23/50/74/1097235074.db2.gz IIMDOILITCKRAC-AWEZNQCLSA-N 1 0 301.346 3.006 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001229115849 1097258914 /nfs/dbraw/zinc/25/89/14/1097258914.db2.gz SPNLDKIPFDXGEF-QXKSGRMLSA-N 1 0 302.374 3.043 20 5 DGBDRO CCCCN(C)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898644 1097267755 /nfs/dbraw/zinc/26/77/55/1097267755.db2.gz IGDDAAKZNJUVTG-KRWDZBQOSA-N 1 0 319.449 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@@]13CCCOC3)CC2 ZINC001172905992 1097269225 /nfs/dbraw/zinc/26/92/25/1097269225.db2.gz LSOGEVJDYMDDQC-KBAYOESNSA-N 1 0 316.401 3.001 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1(O)CCCCC1)CC2 ZINC001172907547 1097270042 /nfs/dbraw/zinc/27/00/42/1097270042.db2.gz SCPLIXBYGGEKRA-MRXNPFEDSA-N 1 0 318.417 3.127 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](CC)C1 ZINC001229179238 1097271891 /nfs/dbraw/zinc/27/18/91/1097271891.db2.gz IQEZOENBSKOONT-CYBMUJFWSA-N 1 0 306.362 3.051 20 5 DGBDRO CC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCOCC1 ZINC001172895596 1097278321 /nfs/dbraw/zinc/27/83/21/1097278321.db2.gz FZBIWBBNZPIGJL-HNNXBMFYSA-N 1 0 304.390 3.001 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ncccc1F)CC2 ZINC001172896403 1097278496 /nfs/dbraw/zinc/27/84/96/1097278496.db2.gz OYZKJAIAMTZVMA-AWEZNQCLSA-N 1 0 315.348 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1CC(F)(F)C1)CC2 ZINC001172895220 1097278628 /nfs/dbraw/zinc/27/86/28/1097278628.db2.gz BBGBFZRONHRDBM-AWEZNQCLSA-N 1 0 310.344 3.477 20 5 DGBDRO CC(C)O[C@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920114 1097281176 /nfs/dbraw/zinc/28/11/76/1097281176.db2.gz IKNWHYQPVNUKHL-WMZOPIPTSA-N 1 0 318.417 3.342 20 5 DGBDRO CC(C)(O)[C@H]1CCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922590 1097281451 /nfs/dbraw/zinc/28/14/51/1097281451.db2.gz ZBMBELNOGFYLLH-DOTOQJQBSA-N 1 0 318.417 3.078 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H]3C[C@H]1C[C@@H]3F)CC2 ZINC001172922179 1097281799 /nfs/dbraw/zinc/28/17/99/1097281799.db2.gz WTTNUHRLIPQGIF-FSDCSDTHSA-N 1 0 304.365 3.275 20 5 DGBDRO CO[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910390 1097291233 /nfs/dbraw/zinc/29/12/33/1097291233.db2.gz YRQRVEJOCQZTGN-NUJGCVRESA-N 1 0 318.417 3.389 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(F)cn1)CC2 ZINC001172913488 1097293432 /nfs/dbraw/zinc/29/34/32/1097293432.db2.gz WCZMAMQXIWDBFQ-OAHLLOKOSA-N 1 0 315.348 3.166 20 5 DGBDRO CCC[N@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014319 1097306943 /nfs/dbraw/zinc/30/69/43/1097306943.db2.gz NQGMBFNYYVYAEU-UHFFFAOYSA-N 1 0 313.348 3.184 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001229492168 1097331627 /nfs/dbraw/zinc/33/16/27/1097331627.db2.gz XAMXGIAIUXAALB-UHFFFAOYSA-N 1 0 319.361 3.378 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[C@@H](F)C2)c1F ZINC001173175659 1097355971 /nfs/dbraw/zinc/35/59/71/1097355971.db2.gz CFRMTKUSOXWKCB-MXWKQRLJSA-N 1 0 314.332 3.154 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(F)CCC2)c1F ZINC001173177457 1097356150 /nfs/dbraw/zinc/35/61/50/1097356150.db2.gz ADLLAZMTDPERLO-JTQLQIEISA-N 1 0 314.332 3.155 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(C)o2)c1F ZINC001173176150 1097356269 /nfs/dbraw/zinc/35/62/69/1097356269.db2.gz YUSJIVWKAAUHNL-SNVBAGLBSA-N 1 0 322.336 3.365 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)c1F ZINC001173179975 1097356776 /nfs/dbraw/zinc/35/67/76/1097356776.db2.gz OKNONFWKQXTBQV-NRWUCQMLSA-N 1 0 322.380 3.452 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1F ZINC001173180121 1097356825 /nfs/dbraw/zinc/35/68/25/1097356825.db2.gz IMGMOMHLQBIVIL-UPJWGTAASA-N 1 0 322.380 3.405 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC001173215182 1097366819 /nfs/dbraw/zinc/36/68/19/1097366819.db2.gz UEZIBHNKLFXMRL-NWDGAFQWSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C[NH3+])c2ccccc21 ZINC001173216648 1097368774 /nfs/dbraw/zinc/36/87/74/1097368774.db2.gz DSVZKAFGHQKOSC-UKRRQHHQSA-N 1 0 311.385 3.088 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH3+])c(F)c1 ZINC001173218333 1097369475 /nfs/dbraw/zinc/36/94/75/1097369475.db2.gz AIPBTWPLBFCZCO-LLVKDONJSA-N 1 0 303.337 3.236 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2ncoc21 ZINC001173220235 1097371349 /nfs/dbraw/zinc/37/13/49/1097371349.db2.gz WIARTNPXPULFAD-GFCCVEGCSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001173222845 1097372832 /nfs/dbraw/zinc/37/28/32/1097372832.db2.gz ZMVGYFUZGBTWEF-QXRTWZOPSA-N 1 0 317.433 3.131 20 5 DGBDRO COCC[C@@H]1CCCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225716 1097374864 /nfs/dbraw/zinc/37/48/64/1097374864.db2.gz FNZXMTHCGGVIBN-ZBFHGGJFSA-N 1 0 306.406 3.417 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCCO2)CC1 ZINC001173228824 1097376271 /nfs/dbraw/zinc/37/62/71/1097376271.db2.gz ZCIXZDVWUXQRJX-AWEZNQCLSA-N 1 0 304.390 3.171 20 5 DGBDRO CC(C)[N@H+](CCCCCO)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230742 1097377204 /nfs/dbraw/zinc/37/72/04/1097377204.db2.gz FGLWBZHGNSGJBK-HNNXBMFYSA-N 1 0 308.422 3.399 20 5 DGBDRO CCC1(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001173230823 1097377299 /nfs/dbraw/zinc/37/72/99/1097377299.db2.gz URHQFVYMZXRMGF-AWEZNQCLSA-N 1 0 306.406 3.322 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(CC[NH3+])c2ncccc21 ZINC001173234161 1097378402 /nfs/dbraw/zinc/37/84/02/1097378402.db2.gz OCFKIRASWCWZHP-CYBMUJFWSA-N 1 0 324.384 3.249 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COc2ccc(F)cc21 ZINC001173236124 1097379823 /nfs/dbraw/zinc/37/98/23/1097379823.db2.gz XCTMSBCBRXWDBO-BZNIZROVSA-N 1 0 316.332 3.388 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COc2ccc(F)cc21 ZINC001173236123 1097379912 /nfs/dbraw/zinc/37/99/12/1097379912.db2.gz XCTMSBCBRXWDBO-BDJLRTHQSA-N 1 0 316.332 3.388 20 5 DGBDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173213441 1097381462 /nfs/dbraw/zinc/38/14/62/1097381462.db2.gz FGCSBZJOWJFUJK-ZDUSSCGKSA-N 1 0 300.358 3.324 20 5 DGBDRO COc1ccc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173220425 1097382417 /nfs/dbraw/zinc/38/24/17/1097382417.db2.gz AELVNLXWHSNAPY-AWEZNQCLSA-N 1 0 314.385 3.367 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001229830923 1097394507 /nfs/dbraw/zinc/39/45/07/1097394507.db2.gz IDCGSIZLOQWFSG-LBPRGKRZSA-N 1 0 318.295 3.477 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229830318 1097394766 /nfs/dbraw/zinc/39/47/66/1097394766.db2.gz ADMSFGVVXNUULF-GFCCVEGCSA-N 1 0 318.295 3.475 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c(nn1)-c1ccccc1CCC2 ZINC001230056199 1097438660 /nfs/dbraw/zinc/43/86/60/1097438660.db2.gz VNDYQSBUOCNVSC-CQSZACIVSA-N 1 0 312.437 3.106 20 5 DGBDRO Cc1cc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc([N+](=O)[O-])c1C ZINC001230478100 1097495432 /nfs/dbraw/zinc/49/54/32/1097495432.db2.gz SSLBUYKNIGZLCI-HALDLXJZSA-N 1 0 304.390 3.321 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1Cc1ccc(O)cc1 ZINC001231217521 1097696745 /nfs/dbraw/zinc/69/67/45/1097696745.db2.gz CLVSOSIYMJHQMG-HNNXBMFYSA-O 1 0 300.422 3.457 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)ccc(Cc2ccccc2)c1O ZINC001231307726 1097717146 /nfs/dbraw/zinc/71/71/46/1097717146.db2.gz CMCHKWCBFPMRIT-AWEZNQCLSA-O 1 0 316.421 3.162 20 5 DGBDRO C[C@H]1CN(Cc2ccc3ccc4cccnc4c3n2)C[C@H](C)O1 ZINC001232219984 1097971841 /nfs/dbraw/zinc/97/18/41/1097971841.db2.gz ZTZJFLWFDBGWIB-KBPBESRZSA-N 1 0 307.397 3.392 20 5 DGBDRO C[C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)C[C@@H](C)O1 ZINC001232219986 1097971932 /nfs/dbraw/zinc/97/19/32/1097971932.db2.gz ZTZJFLWFDBGWIB-ZIAGYGMSSA-N 1 0 307.397 3.392 20 5 DGBDRO CC[N@@H+]1CCN(Cc2ccc3ccc4cccnc4c3n2)C[C@H]1C ZINC001232224993 1097973259 /nfs/dbraw/zinc/97/32/59/1097973259.db2.gz UCKVKLSDJPZCMZ-OAHLLOKOSA-N 1 0 320.440 3.309 20 5 DGBDRO COC(=O)[C@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001176035869 1098239008 /nfs/dbraw/zinc/23/90/08/1098239008.db2.gz FVVSSEJNDMOMJZ-NOLJZWGESA-N 1 0 320.389 3.225 20 5 DGBDRO COc1ccc(Nc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC001176363060 1098332909 /nfs/dbraw/zinc/33/29/09/1098332909.db2.gz MJVGDFQIRVTDHZ-UHFFFAOYSA-N 1 0 301.346 3.409 20 5 DGBDRO Cc1ccc(CN2CC[N@@H+](C)C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001176432376 1098339890 /nfs/dbraw/zinc/33/98/90/1098339890.db2.gz OAWVRQOEIIDVKE-MRXNPFEDSA-N 1 0 305.422 3.065 20 5 DGBDRO CCC(C)(CC)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001176520651 1098374880 /nfs/dbraw/zinc/37/48/80/1098374880.db2.gz JXMWUVBMBRFLIJ-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)cc1 ZINC001176649767 1098409040 /nfs/dbraw/zinc/40/90/40/1098409040.db2.gz LITUVUWJUOMWLH-SZMVWBNQSA-N 1 0 316.401 3.139 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233777491 1098428862 /nfs/dbraw/zinc/42/88/62/1098428862.db2.gz CMNOGBMBGLOMMY-LBPRGKRZSA-N 1 0 301.346 3.005 20 5 DGBDRO Cc1c(CNCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001177294872 1098505065 /nfs/dbraw/zinc/50/50/65/1098505065.db2.gz QHFAIRKDJYALLH-GJZGRUSLSA-N 1 0 319.449 3.361 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001234674272 1098640999 /nfs/dbraw/zinc/64/09/99/1098640999.db2.gz LEBANEXISYBAAQ-UHFFFAOYSA-N 1 0 315.373 3.395 20 5 DGBDRO COCC[NH+]1CCC(Oc2cc(C)c([N+](=O)[O-])c(C)c2C)CC1 ZINC001234871804 1098693353 /nfs/dbraw/zinc/69/33/53/1098693353.db2.gz OAHFBVMYHBYXMW-UHFFFAOYSA-N 1 0 322.405 3.010 20 5 DGBDRO Cc1nccc([N+](=O)[O-])c1O[C@@H](CC[NH+](C)C)c1cccs1 ZINC001234901155 1098701485 /nfs/dbraw/zinc/70/14/85/1098701485.db2.gz MSVOQBXUKUJCNQ-ZDUSSCGKSA-N 1 0 321.402 3.432 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1COc2ccccc21 ZINC001178856214 1098963392 /nfs/dbraw/zinc/96/33/92/1098963392.db2.gz VNLWVZGYBAFELP-AWEZNQCLSA-N 1 0 312.369 3.477 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccc3oc(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC001179526092 1099117951 /nfs/dbraw/zinc/11/79/51/1099117951.db2.gz YBFURSPCQFNAJO-UHFFFAOYSA-N 1 0 313.313 3.040 20 5 DGBDRO CC[NH+](CC)CC(=O)Nc1cc2cccnc2c2ncccc12 ZINC001180390154 1099391320 /nfs/dbraw/zinc/39/13/20/1099391320.db2.gz XKQXZNNCVBDCJB-UHFFFAOYSA-N 1 0 308.385 3.063 20 5 DGBDRO C[NH2+]C1(CNc2nc3ccccc3cc2[N+](=O)[O-])CCCCC1 ZINC001187430943 1099526632 /nfs/dbraw/zinc/52/66/32/1099526632.db2.gz UDZSCJOPTZCTJL-UHFFFAOYSA-N 1 0 314.389 3.477 20 5 DGBDRO C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001187624548 1099559332 /nfs/dbraw/zinc/55/93/32/1099559332.db2.gz DQUGIJFEQIMXNJ-LLVKDONJSA-N 1 0 324.812 3.096 20 5 DGBDRO CCc1ccc(C(C)(C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC001192719177 1100657926 /nfs/dbraw/zinc/65/79/26/1100657926.db2.gz IXGPKIWAAQTQCK-UHFFFAOYSA-N 1 0 316.405 3.187 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(CCF)CC2)cc1 ZINC001196760634 1101375908 /nfs/dbraw/zinc/37/59/08/1101375908.db2.gz WLCXJAKSKZOLSF-UHFFFAOYSA-N 1 0 310.369 3.435 20 5 DGBDRO COc1ccc(C[NH2+]C2(CO)CCCCCCC2)cc1[N+](=O)[O-] ZINC001197087052 1101463984 /nfs/dbraw/zinc/46/39/84/1101463984.db2.gz SUVBNKPNMUKTCD-UHFFFAOYSA-N 1 0 322.405 3.168 20 5 DGBDRO Cc1c(C[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001198684602 1101958308 /nfs/dbraw/zinc/95/83/08/1101958308.db2.gz CAZYDESQTGBBLR-DLBZAZTESA-N 1 0 304.390 3.437 20 5 DGBDRO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC001325785813 1103124543 /nfs/dbraw/zinc/12/45/43/1103124543.db2.gz NLQMIRPTHBDZCC-UWVGGRQHSA-N 1 0 313.195 3.445 20 5 DGBDRO O=C(CN1CC2CCC1CC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001327321337 1103622069 /nfs/dbraw/zinc/62/20/69/1103622069.db2.gz PNVAAAHHDZWMST-UHFFFAOYSA-N 1 0 323.780 3.061 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001327792013 1103725687 /nfs/dbraw/zinc/72/56/87/1103725687.db2.gz KFBOXYSETLBHHZ-LMKPVCQUSA-N 1 0 312.316 3.127 20 5 DGBDRO COc1cncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001328148631 1103860037 /nfs/dbraw/zinc/86/00/37/1103860037.db2.gz XCJUETCJIDJESV-UHFFFAOYSA-N 1 0 301.346 3.023 20 5 DGBDRO O=[N+]([O-])c1cnc(Nc2cccc(C[NH+]3CCCC3)c2)c(F)c1 ZINC001328644037 1104008925 /nfs/dbraw/zinc/00/89/25/1104008925.db2.gz XSSOZSUIFOHTQA-UHFFFAOYSA-N 1 0 316.336 3.468 20 5 DGBDRO CC(C)CN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC001246953034 1104750887 /nfs/dbraw/zinc/75/08/87/1104750887.db2.gz OPGCFJBRGLHNPL-MAUKXSAKSA-N 1 0 319.449 3.236 20 5 DGBDRO Cc1ccc(-c2nc3ccccc3n2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001247048179 1104786458 /nfs/dbraw/zinc/78/64/58/1104786458.db2.gz KFFDHEDXOAUMMP-AWEZNQCLSA-N 1 0 322.368 3.454 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc2ccccc2n1[C@H]1CC[NH2+]C1 ZINC001247050075 1104786673 /nfs/dbraw/zinc/78/66/73/1104786673.db2.gz ZNMPZHGHIDRNFQ-AWEZNQCLSA-N 1 0 322.368 3.454 20 5 DGBDRO Cc1cccc(-c2nc3ccccc3n2[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001247054936 1104788238 /nfs/dbraw/zinc/78/82/38/1104788238.db2.gz ZUZWTPJNIUUGRD-ZDUSSCGKSA-N 1 0 322.368 3.454 20 5 DGBDRO COC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC001308950769 1104897881 /nfs/dbraw/zinc/89/78/81/1104897881.db2.gz TYCCTQIVZVNQMR-LBPRGKRZSA-N 1 0 300.786 3.256 20 5 DGBDRO CC(C)[NH2+]Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247460826 1104908009 /nfs/dbraw/zinc/90/80/09/1104908009.db2.gz CDKMEUNPHMPOEF-UHFFFAOYSA-N 1 0 319.368 3.331 20 5 DGBDRO [NH3+][C@H]1C[C@@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001248310518 1105094333 /nfs/dbraw/zinc/09/43/33/1105094333.db2.gz OYRVUJVARKKOAW-BETUJISGSA-N 1 0 317.352 3.038 20 5 DGBDRO Cc1ccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001249278318 1105261810 /nfs/dbraw/zinc/26/18/10/1105261810.db2.gz ZYYUHPFQWHUQMM-OAHLLOKOSA-N 1 0 324.340 3.196 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@H]3F)CC2)cc1 ZINC001254465149 1106077200 /nfs/dbraw/zinc/07/72/00/1106077200.db2.gz QNSOGWJPJYDSJM-SUMWQHHRSA-N 1 0 321.396 3.291 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@@H](F)CC3)CC2)cc1 ZINC001254473848 1106077822 /nfs/dbraw/zinc/07/78/22/1106077822.db2.gz ILOWOOAZYRIWAC-CQSZACIVSA-N 1 0 321.396 3.388 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC34CCC4)CC2)cc1 ZINC001254470182 1106077992 /nfs/dbraw/zinc/07/79/92/1106077992.db2.gz HZXKOZQCLCZKPU-MRXNPFEDSA-N 1 0 301.390 3.096 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3C[C@@H]4CCC[C@H]4C3)CC2)cc1 ZINC001254475200 1106078260 /nfs/dbraw/zinc/07/82/60/1106078260.db2.gz BUASSJCZPUWVRM-GJZGRUSLSA-N 1 0 315.417 3.296 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@@H](CF)C3)CC2)cc1 ZINC001254478549 1106078857 /nfs/dbraw/zinc/07/88/57/1106078857.db2.gz GMQLYQBGFKZEIX-AWEZNQCLSA-N 1 0 321.396 3.245 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(Cl)c1 ZINC001254532257 1106096829 /nfs/dbraw/zinc/09/68/29/1106096829.db2.gz MBRKJWKGLMUPCW-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO Cc1cc(C)c(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC001254531377 1106097136 /nfs/dbraw/zinc/09/71/36/1106097136.db2.gz FIUBKGVLHVNHPC-GFCCVEGCSA-N 1 0 315.373 3.033 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1ccc2cc(C[NH3+])cnc21 ZINC001254535397 1106097617 /nfs/dbraw/zinc/09/76/17/1106097617.db2.gz IZNYWBWKHVSFEF-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1c2ccccc2nc1CC[NH3+] ZINC001254536643 1106098401 /nfs/dbraw/zinc/09/84/01/1106098401.db2.gz ROIYHRIIPMGQSI-ZDUSSCGKSA-N 1 0 324.384 3.249 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cnc2ccc(C[NH3+])cc21 ZINC001254539351 1106098660 /nfs/dbraw/zinc/09/86/60/1106098660.db2.gz HHSSGTBXMKQJKP-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(CC[NH3+])c1ccc(F)cc1 ZINC001254543306 1106099645 /nfs/dbraw/zinc/09/96/45/1106099645.db2.gz DXFSLSWMJAHTOD-ZDUSSCGKSA-N 1 0 317.364 3.130 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2ncoc2c1 ZINC001254542876 1106099730 /nfs/dbraw/zinc/09/97/30/1106099730.db2.gz PMJZEFJESOVWKS-GFCCVEGCSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(CC(C)(C)C)C1 ZINC001254546566 1106100800 /nfs/dbraw/zinc/10/08/00/1106100800.db2.gz GYMHLLBVKVSSAH-ZBFHGGJFSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1c(C[NH3+])cc2ccncc21 ZINC001254547494 1106100884 /nfs/dbraw/zinc/10/08/84/1106100884.db2.gz IXVUAGJZMBGPRA-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2nccnc12 ZINC001254550006 1106101135 /nfs/dbraw/zinc/10/11/35/1106101135.db2.gz ZBFMXOGBIPJZOP-CYBMUJFWSA-N 1 0 322.368 3.259 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@](C)(O)CC1 ZINC001254551854 1106101284 /nfs/dbraw/zinc/10/12/84/1106101284.db2.gz GKRHRNBCUJGBOV-CPUCHLNUSA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2ccccc2C1=O ZINC001254549024 1106101598 /nfs/dbraw/zinc/10/15/98/1106101598.db2.gz PRILUWGJLBWQLD-GUYCJALGSA-N 1 0 324.380 3.313 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(CO)CC1 ZINC001254553747 1106102716 /nfs/dbraw/zinc/10/27/16/1106102716.db2.gz YISFSOLXPMRKKV-YOEHRIQHSA-N 1 0 306.406 3.010 20 5 DGBDRO Cc1noc([C@@H]2CCCN2[C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254559301 1106103181 /nfs/dbraw/zinc/10/31/81/1106103181.db2.gz JZOPMKZMFVWOMF-ABAIWWIYSA-N 1 0 316.361 3.054 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001254563153 1106103957 /nfs/dbraw/zinc/10/39/57/1106103957.db2.gz VDOGPXCPWUNUMB-DOTOQJQBSA-N 1 0 317.433 3.086 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCOCC2)CC1 ZINC001254560741 1106104326 /nfs/dbraw/zinc/10/43/26/1106104326.db2.gz XDQAYDQYFFSQLU-HNNXBMFYSA-N 1 0 318.417 3.418 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001254564246 1106105085 /nfs/dbraw/zinc/10/50/85/1106105085.db2.gz JXFMMHQLNSGKSS-HOCLYGCPSA-N 1 0 318.417 3.274 20 5 DGBDRO CCOc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254571673 1106105712 /nfs/dbraw/zinc/10/57/12/1106105712.db2.gz AEQXCMKNZOYGPK-INIZCTEOSA-N 1 0 312.369 3.251 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCSCc1ccco1)C2 ZINC001254571949 1106105951 /nfs/dbraw/zinc/10/59/51/1106105951.db2.gz DXXOZLRFHBJLJX-CQSZACIVSA-N 1 0 318.398 3.178 20 5 DGBDRO CC(C)[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC001254571644 1106106005 /nfs/dbraw/zinc/10/60/05/1106106005.db2.gz ZPIQHVFNRUQZKP-OAHLLOKOSA-N 1 0 319.449 3.330 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254571974 1106106128 /nfs/dbraw/zinc/10/61/28/1106106128.db2.gz FSDXHFHNFHAKJZ-MLGOLLRUSA-N 1 0 312.369 3.421 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)C2 ZINC001254573380 1106106640 /nfs/dbraw/zinc/10/66/40/1106106640.db2.gz YSDRMBSTFBEYRJ-LBPRGKRZSA-N 1 0 322.286 3.269 20 5 DGBDRO CCc1ccc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254572207 1106106704 /nfs/dbraw/zinc/10/67/04/1106106704.db2.gz JQZMFQSXBGPASK-GOSISDBHSA-N 1 0 310.397 3.457 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCc3ccccc3C1)C2 ZINC001254573544 1106106725 /nfs/dbraw/zinc/10/67/25/1106106725.db2.gz BPNMHRNCVAYNMI-ROUUACIJSA-N 1 0 308.381 3.209 20 5 DGBDRO [NH3+]Cc1cc2ccccc2n1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572385 1106106757 /nfs/dbraw/zinc/10/67/57/1106106757.db2.gz LYSMHGHIQDGREW-MRXNPFEDSA-N 1 0 307.353 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCc3ccc(O)cc31)C2 ZINC001254578420 1106107603 /nfs/dbraw/zinc/10/76/03/1106107603.db2.gz LAZQPLRRLCFVQG-RDTXWAMCSA-N 1 0 310.353 3.045 20 5 DGBDRO CC1(C)CC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC(C)(C)O1 ZINC001254578114 1106107717 /nfs/dbraw/zinc/10/77/17/1106107717.db2.gz JJAINWCZDZQYTP-CQSZACIVSA-N 1 0 318.417 3.388 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCc3ccc(F)cc31)C2 ZINC001254579631 1106108275 /nfs/dbraw/zinc/10/82/75/1106108275.db2.gz UPRBZCBRWOINNH-CRAIPNDOSA-N 1 0 312.344 3.478 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1c(F)cccc1F)C2 ZINC001254584208 1106108597 /nfs/dbraw/zinc/10/85/97/1106108597.db2.gz GCHOEYJBSIVMSV-ZDUSSCGKSA-N 1 0 318.323 3.173 20 5 DGBDRO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586326 1106109083 /nfs/dbraw/zinc/10/90/83/1106109083.db2.gz QKNAACKDPYHNGT-BEFAXECRSA-N 1 0 324.380 3.348 20 5 DGBDRO COC[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254587691 1106109090 /nfs/dbraw/zinc/10/90/90/1106109090.db2.gz ZAJFKSGLYDNWTN-AEFFLSMTSA-N 1 0 312.369 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(Cc3ccccn3)CCC1)C2 ZINC001254588246 1106109135 /nfs/dbraw/zinc/10/91/35/1106109135.db2.gz WWKKSNMXDHLHOW-QGZVFWFLSA-N 1 0 323.396 3.212 20 5 DGBDRO COc1cccc2c1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254598831 1106110884 /nfs/dbraw/zinc/11/08/84/1106110884.db2.gz MAUZLLKHVAJIQH-QGZVFWFLSA-N 1 0 324.380 3.129 20 5 DGBDRO Cc1ccc2c(c1)C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254600626 1106110923 /nfs/dbraw/zinc/11/09/23/1106110923.db2.gz TWPMMQYBFAKANO-LJQANCHMSA-N 1 0 308.381 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H](c3ccccn3)C1)C2 ZINC001254599462 1106110932 /nfs/dbraw/zinc/11/09/32/1106110932.db2.gz LTQRHEKHNTYCSC-MAUKXSAKSA-N 1 0 323.396 3.337 20 5 DGBDRO C[N@H+](CCc1ccc(F)cc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602571 1106111778 /nfs/dbraw/zinc/11/17/78/1106111778.db2.gz GLRYRZHBULUIQS-SFHVURJKSA-N 1 0 314.360 3.376 20 5 DGBDRO C[N@H+](Cc1ccc(Cl)nc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602844 1106111794 /nfs/dbraw/zinc/11/17/94/1106111794.db2.gz JFLKFNMQPJCJMU-OAHLLOKOSA-N 1 0 317.776 3.242 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@](C)(CO)C1 ZINC001320643804 1107085380 /nfs/dbraw/zinc/08/53/80/1107085380.db2.gz QGEBXQBQFFCELU-CRPZLVSXSA-N 1 0 304.390 3.093 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)c2c1 ZINC001317668140 1107587240 /nfs/dbraw/zinc/58/72/40/1107587240.db2.gz OCIZOKIDCCTYEW-HIFRSBDPSA-N 1 0 314.389 3.414 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001318372653 1107964722 /nfs/dbraw/zinc/96/47/22/1107964722.db2.gz VEWJGBOQUKRFJW-DGCLKSJQSA-N 1 0 320.418 3.489 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001324990908 1108551970 /nfs/dbraw/zinc/55/19/70/1108551970.db2.gz UOCHCYBKHQWYFL-ZIAGYGMSSA-N 1 0 314.389 3.414 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001306982709 1111257352 /nfs/dbraw/zinc/25/73/52/1111257352.db2.gz OIRJTRMBCMWWBB-KGLIPLIRSA-N 1 0 318.421 3.153 20 5 DGBDRO Cc1cc(NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307166128 1111273002 /nfs/dbraw/zinc/27/30/02/1111273002.db2.gz HHNOIPXLCBGPIU-SNVBAGLBSA-N 1 0 317.311 3.428 20 5 DGBDRO CN(CCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001307195832 1111277810 /nfs/dbraw/zinc/27/78/10/1111277810.db2.gz MHCLZNIJYZODSO-UHFFFAOYSA-N 1 0 309.385 3.436 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001307606982 1111319061 /nfs/dbraw/zinc/31/90/61/1111319061.db2.gz VRIWXECSTVNOOT-STQMWFEESA-N 1 0 319.405 3.290 20 5 DGBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC001307603808 1111319113 /nfs/dbraw/zinc/31/91/13/1111319113.db2.gz PXCLJRLTXGGVJM-COXVUDFISA-N 1 0 304.390 3.484 20 5 DGBDRO Cc1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)C)cc1 ZINC001307951652 1111359294 /nfs/dbraw/zinc/35/92/94/1111359294.db2.gz HWPYKQPIPZORBY-UHFFFAOYSA-N 1 0 316.405 3.400 20 5 DGBDRO C[C@@](CO)([NH2+]C[C@@H]1CC2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC001307999964 1111364284 /nfs/dbraw/zinc/36/42/84/1111364284.db2.gz QANXBBIECLMICV-GULCKSEBSA-N 1 0 318.417 3.218 20 5 DGBDRO C[C@](CO)([NH2+]C[C@@H]1CC2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC001308000063 1111364690 /nfs/dbraw/zinc/36/46/90/1111364690.db2.gz QANXBBIECLMICV-ZUBZBLCWSA-N 1 0 318.417 3.218 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CO)CCCCCCC1 ZINC001308018716 1111366981 /nfs/dbraw/zinc/36/69/81/1111366981.db2.gz VEMDMYCZOUAOLT-UHFFFAOYSA-N 1 0 322.405 3.168 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCOCC2)o1 ZINC001308206985 1111397461 /nfs/dbraw/zinc/39/74/61/1111397461.db2.gz DWOLNVCSWUNHFV-UHFFFAOYSA-N 1 0 302.330 3.123 20 5 DGBDRO Cc1c(C[NH2+]CCc2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC001308239206 1111403166 /nfs/dbraw/zinc/40/31/66/1111403166.db2.gz ZDSKFAJQOSFNMK-UHFFFAOYSA-N 1 0 313.401 3.302 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)CCc2cccn2C)cc1[N+](=O)[O-] ZINC001308268488 1111407823 /nfs/dbraw/zinc/40/78/23/1111407823.db2.gz PLKLSHXUOBUVPT-ZDUSSCGKSA-N 1 0 317.389 3.053 20 5 DGBDRO CCCn1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC001308534874 1111439470 /nfs/dbraw/zinc/43/94/70/1111439470.db2.gz LCPZGSMEAIYGMP-ZDUSSCGKSA-N 1 0 316.405 3.403 20 5 DGBDRO [NH3+]CCN(Cc1ccc2cc[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC001308741408 1111468060 /nfs/dbraw/zinc/46/80/60/1111468060.db2.gz UDFJOWDBAHPFAM-UHFFFAOYSA-N 1 0 310.357 3.041 20 5 DGBDRO Cc1cc(N[C@@H](C)CC[S@@](C)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272874677 210264778 /nfs/dbraw/zinc/26/47/78/210264778.db2.gz UDCWKKXQHWVKNS-MLMJSJRWSA-N 1 0 321.402 3.020 20 5 DGBDRO CC[C@@H](C)[NH2+][C@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccco1 ZINC000413284568 529376118 /nfs/dbraw/zinc/37/61/18/529376118.db2.gz VKBIQUHJAHGJFN-ZWNOBZJWSA-N 1 0 322.340 3.263 20 5 DGBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000078998495 185143855 /nfs/dbraw/zinc/14/38/55/185143855.db2.gz HHFKNMIYXGHITH-ZDUSSCGKSA-N 1 0 300.358 3.411 20 5 DGBDRO C[C@H](O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305862586 231078002 /nfs/dbraw/zinc/07/80/02/231078002.db2.gz YNOWXDZFSCUINK-GUYCJALGSA-N 1 0 300.358 3.045 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000318512323 231170998 /nfs/dbraw/zinc/17/09/98/231170998.db2.gz YHJZKVSZDFBIDP-FMKPAKJESA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1cccc2c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccnc21 ZINC000322148669 231208528 /nfs/dbraw/zinc/20/85/28/231208528.db2.gz KUGBRCBTTLGTRT-QWHCGFSZSA-N 1 0 312.373 3.182 20 5 DGBDRO CC[C@@H](CCO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308254 529467341 /nfs/dbraw/zinc/46/73/41/529467341.db2.gz HTLWUDXUYJXJIT-GUYCJALGSA-N 1 0 306.406 3.361 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCCOC2CCOCC2)cccc1[N+](=O)[O-] ZINC000090082762 185280973 /nfs/dbraw/zinc/28/09/73/185280973.db2.gz CXGAHGLIIIDRNR-CQSZACIVSA-N 1 0 322.405 3.140 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000090085673 185281190 /nfs/dbraw/zinc/28/11/90/185281190.db2.gz HWSVZCUUNVVJBD-OLZOCXBDSA-N 1 0 324.421 3.441 20 5 DGBDRO CC[C@H](O)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433284185 529690349 /nfs/dbraw/zinc/69/03/49/529690349.db2.gz JLFZHTJDDHXMNP-XJKSGUPXSA-N 1 0 306.406 3.458 20 5 DGBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181514994 199310022 /nfs/dbraw/zinc/31/00/22/199310022.db2.gz BWSNARHSKZDEOT-GFCCVEGCSA-N 1 0 302.330 3.030 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1CCCC1 ZINC000064020634 432007631 /nfs/dbraw/zinc/00/76/31/432007631.db2.gz QGLQGUPABYBHBQ-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000129921215 432010604 /nfs/dbraw/zinc/01/06/04/432010604.db2.gz OEZMTDWKMVNHDH-LYKUJDHUSA-N 1 0 302.374 3.109 20 5 DGBDRO Cc1nnc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449239774 282337017 /nfs/dbraw/zinc/33/70/17/282337017.db2.gz WQNBRXFJUZCZOR-NXEZZACHSA-N 1 0 306.391 3.037 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000104078618 432013638 /nfs/dbraw/zinc/01/36/38/432013638.db2.gz DWUCSOCKMDBAMK-VXGBXAGGSA-N 1 0 316.361 3.408 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000068836597 190786352 /nfs/dbraw/zinc/78/63/52/190786352.db2.gz GMJJABDUGOVAMI-OAHLLOKOSA-N 1 0 317.364 3.319 20 5 DGBDRO CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000272639210 210042261 /nfs/dbraw/zinc/04/22/61/210042261.db2.gz ODJJKJUHOXLMBT-AWEZNQCLSA-N 1 0 322.796 3.265 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000130353829 432021769 /nfs/dbraw/zinc/02/17/69/432021769.db2.gz WXVQTBUYIFZXRW-ZBFHGGJFSA-N 1 0 314.385 3.157 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000287109419 219319072 /nfs/dbraw/zinc/31/90/72/219319072.db2.gz YJBLKGDHZJUEOQ-MRXNPFEDSA-N 1 0 320.776 3.462 20 5 DGBDRO CCOc1ccc([C@@H](C)NC2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000152626029 186091403 /nfs/dbraw/zinc/09/14/03/186091403.db2.gz RVBBLUFBJSYDDP-CYBMUJFWSA-N 1 0 321.421 3.128 20 5 DGBDRO CC1(O)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000179724267 186210617 /nfs/dbraw/zinc/21/06/17/186210617.db2.gz HOLIVZICYWESHZ-UHFFFAOYSA-N 1 0 316.357 3.202 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000188012324 186243599 /nfs/dbraw/zinc/24/35/99/186243599.db2.gz GXKUWJBAALGLDI-GUTXKFCHSA-N 1 0 322.405 3.195 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCC1(C)C ZINC000191849170 186263775 /nfs/dbraw/zinc/26/37/75/186263775.db2.gz KQVCSVRFSJGPMD-CQSZACIVSA-N 1 0 305.378 3.010 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000266844984 186356432 /nfs/dbraw/zinc/35/64/32/186356432.db2.gz HRGCGCUGEVZASW-CXAGYDPISA-N 1 0 300.358 3.287 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000107071339 432027048 /nfs/dbraw/zinc/02/70/48/432027048.db2.gz NQDBMBKXHKRLCZ-CHWSQXEVSA-N 1 0 313.357 3.273 20 5 DGBDRO Cc1cc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301412784 186731100 /nfs/dbraw/zinc/73/11/00/186731100.db2.gz AHGKHNDMCNWRJO-STQMWFEESA-N 1 0 306.410 3.078 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CCO)ccc1Oc1ccccc1Cl ZINC000072712967 191219787 /nfs/dbraw/zinc/21/97/87/191219787.db2.gz UBFREWUXRJWTDL-UHFFFAOYSA-N 1 0 322.748 3.122 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc2c1OCO2 ZINC000130860138 432030066 /nfs/dbraw/zinc/03/00/66/432030066.db2.gz BECLSXTZCPOVOP-LBPRGKRZSA-N 1 0 314.341 3.483 20 5 DGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173175041 198191967 /nfs/dbraw/zinc/19/19/67/198191967.db2.gz BGVDILXXYBFLBA-CQSZACIVSA-N 1 0 321.421 3.144 20 5 DGBDRO CCOc1cc(C[N@H+](C)CCc2ccncc2)ccc1[N+](=O)[O-] ZINC000276976154 213214288 /nfs/dbraw/zinc/21/42/88/213214288.db2.gz XTHJMRXQAHTHOL-UHFFFAOYSA-N 1 0 315.373 3.063 20 5 DGBDRO Cc1cc(NC[C@@H]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000276893117 213159833 /nfs/dbraw/zinc/15/98/33/213159833.db2.gz LOVIOFQJRQBTMX-DGCLKSJQSA-N 1 0 301.346 3.024 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000276848529 213132512 /nfs/dbraw/zinc/13/25/12/213132512.db2.gz DGDCIEGTMTWXTJ-UKRRQHHQSA-N 1 0 308.378 3.041 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCOC(C)C)cc1[N+](=O)[O-] ZINC000179391912 199027405 /nfs/dbraw/zinc/02/74/05/199027405.db2.gz RLGVUTXCCCUWSL-CYBMUJFWSA-N 1 0 310.394 3.459 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@@H]1CCCCO1)C1CC1 ZINC000180262323 199137922 /nfs/dbraw/zinc/13/79/22/199137922.db2.gz ZXYUQWIYRGLZKW-IRXDYDNUSA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000237310853 202226928 /nfs/dbraw/zinc/22/69/28/202226928.db2.gz DPYMYPLZPRGSMR-ZDUSSCGKSA-N 1 0 300.358 3.411 20 5 DGBDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000180438339 199159509 /nfs/dbraw/zinc/15/95/09/199159509.db2.gz WFOLEFNXAWGVNY-SNVBAGLBSA-N 1 0 320.370 3.294 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276648816 213021916 /nfs/dbraw/zinc/02/19/16/213021916.db2.gz QLYUGLXUAUSBLB-AWEZNQCLSA-N 1 0 314.389 3.064 20 5 DGBDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000134467698 432077474 /nfs/dbraw/zinc/07/74/74/432077474.db2.gz WXSDJGNQYIGAQJ-KRWDZBQOSA-N 1 0 318.373 3.496 20 5 DGBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000134443951 432077539 /nfs/dbraw/zinc/07/75/39/432077539.db2.gz MAJOCDAFQYQENN-CYBMUJFWSA-N 1 0 300.786 3.087 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC2(CC2)C1 ZINC000187009594 200047402 /nfs/dbraw/zinc/04/74/02/200047402.db2.gz JVAVSRFZMOSOMD-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H](C)C1 ZINC000187918744 200176558 /nfs/dbraw/zinc/17/65/58/200176558.db2.gz YAYILPBVFDFVRY-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428997447 238037382 /nfs/dbraw/zinc/03/73/82/238037382.db2.gz CMSWLDOVWUEZAY-FSZRXZPDSA-N 1 0 317.433 3.318 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429014871 238038566 /nfs/dbraw/zinc/03/85/66/238038566.db2.gz ZNLCVQBYHIQKOP-BASYENTBSA-N 1 0 317.433 3.318 20 5 DGBDRO Cc1c(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429030865 238039162 /nfs/dbraw/zinc/03/91/62/238039162.db2.gz RYVULNDZTHURQM-QWQRMKEZSA-N 1 0 317.433 3.065 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429582110 238055712 /nfs/dbraw/zinc/05/57/12/238055712.db2.gz ZIRYYWWVSXIZHU-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432315173 238124676 /nfs/dbraw/zinc/12/46/76/238124676.db2.gz YBVXNNKMJIWUTC-OLZOCXBDSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@@H](CCO)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180582317 432091570 /nfs/dbraw/zinc/09/15/70/432091570.db2.gz FUBAQLMZJLETKB-GUYCJALGSA-N 1 0 300.358 3.045 20 5 DGBDRO C[NH+](C)CC(C)(C)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433126148 238147671 /nfs/dbraw/zinc/14/76/71/238147671.db2.gz NGNBBVPSWQTCFV-MRXNPFEDSA-N 1 0 319.449 3.495 20 5 DGBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000272027888 209398346 /nfs/dbraw/zinc/39/83/46/209398346.db2.gz OEMHAGCJZVJXBD-OAHLLOKOSA-N 1 0 312.797 3.375 20 5 DGBDRO Cc1nc(NC[C@@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268476483 432092601 /nfs/dbraw/zinc/09/26/01/432092601.db2.gz KNMFVOZAAZMGJX-LBPRGKRZSA-N 1 0 306.391 3.075 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435582296 238321279 /nfs/dbraw/zinc/32/12/79/238321279.db2.gz CNYJLVGPFJCUQX-AWEZNQCLSA-N 1 0 304.394 3.199 20 5 DGBDRO Nc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000193463427 201056035 /nfs/dbraw/zinc/05/60/35/201056035.db2.gz MEYMGHAAFIDBPF-UHFFFAOYSA-N 1 0 318.421 3.386 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000194056939 201172114 /nfs/dbraw/zinc/17/21/14/201172114.db2.gz YZSIFEBXSNICCT-KGLIPLIRSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000194401486 201219265 /nfs/dbraw/zinc/21/92/65/201219265.db2.gz DLNSRLYHKNSDTL-NSHDSACASA-N 1 0 300.314 3.174 20 5 DGBDRO CO[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000292884392 223291957 /nfs/dbraw/zinc/29/19/57/223291957.db2.gz CHKIDJBZQVOBIJ-QGZVFWFLSA-N 1 0 316.357 3.369 20 5 DGBDRO Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519115 239643768 /nfs/dbraw/zinc/64/37/68/239643768.db2.gz XRDNXVJJQANEDO-HOTGVXAUSA-N 1 0 314.389 3.373 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCn2cccn2)c2ccccc2)c1 ZINC000180828624 432102498 /nfs/dbraw/zinc/10/24/98/432102498.db2.gz UGYAULZEDIZOGH-SFHVURJKSA-N 1 0 322.368 3.171 20 5 DGBDRO CCC[NH+](CCC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000073614258 283777627 /nfs/dbraw/zinc/77/76/27/283777627.db2.gz DZUSBHGUBFEXAF-UHFFFAOYSA-N 1 0 304.350 3.267 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCCCC1 ZINC000449114061 240023479 /nfs/dbraw/zinc/02/34/79/240023479.db2.gz CAFJUQOEXFJCFC-DYVFJYSZSA-N 1 0 306.406 3.057 20 5 DGBDRO COc1cccc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449082433 240008536 /nfs/dbraw/zinc/00/85/36/240008536.db2.gz NITMQJVABNIWSW-AWEZNQCLSA-N 1 0 314.385 3.367 20 5 DGBDRO COc1cc(F)cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000449171371 240050704 /nfs/dbraw/zinc/05/07/04/240050704.db2.gz TYDOESUICNQRGI-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO Cc1nc(C)c(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449180482 240054197 /nfs/dbraw/zinc/05/41/97/240054197.db2.gz ZNWZXCJUNGFAOC-JTQLQIEISA-N 1 0 305.403 3.389 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CCCC1 ZINC000449209372 240070001 /nfs/dbraw/zinc/07/00/01/240070001.db2.gz QJPTXCRYYWHPEY-CJNGLKHVSA-N 1 0 306.406 3.057 20 5 DGBDRO CCOc1ncccc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449218425 240073762 /nfs/dbraw/zinc/07/37/62/240073762.db2.gz ICHXPWNTFWWDEX-CYBMUJFWSA-N 1 0 315.373 3.109 20 5 DGBDRO CO[C@H](CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000449269125 240100696 /nfs/dbraw/zinc/10/06/96/240100696.db2.gz LXPQGDAJMBOLLP-GXFFZTMASA-N 1 0 320.311 3.083 20 5 DGBDRO CO[C@H](CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000449269127 240101412 /nfs/dbraw/zinc/10/14/12/240101412.db2.gz LXPQGDAJMBOLLP-ZWNOBZJWSA-N 1 0 320.311 3.083 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000449285836 240110016 /nfs/dbraw/zinc/11/00/16/240110016.db2.gz SYPUCSGSKMKLBK-GYSYKLTISA-N 1 0 302.378 3.385 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@@H]1CCCCO1 ZINC000449243343 240087353 /nfs/dbraw/zinc/08/73/53/240087353.db2.gz KEASJFWZSCHODF-HOCLYGCPSA-N 1 0 306.406 3.465 20 5 DGBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000292987006 223338225 /nfs/dbraw/zinc/33/82/25/223338225.db2.gz GFBODBZFNBVXDJ-JTQLQIEISA-N 1 0 317.311 3.002 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000075969420 283829524 /nfs/dbraw/zinc/82/95/24/283829524.db2.gz RCJDHDVSOSRLEP-UHFFFAOYSA-N 1 0 318.295 3.248 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000449504894 240252957 /nfs/dbraw/zinc/25/29/57/240252957.db2.gz WONUJQMFXMPURM-INIZCTEOSA-N 1 0 322.405 3.240 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N(C)C ZINC000449554157 240285923 /nfs/dbraw/zinc/28/59/23/240285923.db2.gz AVXYLHMYLPSXKL-LBPRGKRZSA-N 1 0 319.430 3.363 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c(F)c1 ZINC000449733180 240386471 /nfs/dbraw/zinc/38/64/71/240386471.db2.gz NYYVTLSJOBWYLE-OAHLLOKOSA-N 1 0 310.394 3.453 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000449739229 240392148 /nfs/dbraw/zinc/39/21/48/240392148.db2.gz JKFIXBPDZIJUCQ-CQSZACIVSA-N 1 0 320.433 3.447 20 5 DGBDRO COCC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCC1 ZINC000449738782 240392993 /nfs/dbraw/zinc/39/29/93/240392993.db2.gz FLMVOLDCNCWZCS-VURMDHGXSA-N 1 0 304.390 3.404 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C3CCC3)o2)cc1 ZINC000449740826 240395774 /nfs/dbraw/zinc/39/57/74/240395774.db2.gz RDFQGAHFCAMHBV-MRXNPFEDSA-N 1 0 316.357 3.105 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000091859263 193119247 /nfs/dbraw/zinc/11/92/47/193119247.db2.gz DMUMUXOINANPEP-CHWSQXEVSA-N 1 0 314.389 3.226 20 5 DGBDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451187261 241038664 /nfs/dbraw/zinc/03/86/64/241038664.db2.gz PDEPBNQUMFGEPF-UMVBOHGHSA-N 1 0 314.389 3.095 20 5 DGBDRO Cc1cnc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451544042 241164609 /nfs/dbraw/zinc/16/46/09/241164609.db2.gz DCWXXZOHPQSNLU-AWEZNQCLSA-N 1 0 301.346 3.271 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCOCC3CC3)C2)cc1 ZINC000451548097 241167737 /nfs/dbraw/zinc/16/77/37/241167737.db2.gz MQYHIKRZDUWAFD-INIZCTEOSA-N 1 0 304.390 3.201 20 5 DGBDRO CC(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)C ZINC000451620237 241190306 /nfs/dbraw/zinc/19/03/06/241190306.db2.gz ZISPUHKDWMLRKU-DLBZAZTESA-N 1 0 308.422 3.016 20 5 DGBDRO C[C@H](NC(=O)[C@H]1CCCCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000246216329 432109312 /nfs/dbraw/zinc/10/93/12/432109312.db2.gz GGKIJLDGYBPTFR-VBNZEHGJSA-N 1 0 319.405 3.070 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451967930 241288226 /nfs/dbraw/zinc/28/82/26/241288226.db2.gz RUESGGYRFRWOKP-MRXNPFEDSA-N 1 0 322.430 3.323 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C)CCC1(C)C ZINC000452015896 241299220 /nfs/dbraw/zinc/29/92/20/241299220.db2.gz VVMMTSNVTMXFKC-CYBMUJFWSA-N 1 0 319.405 3.495 20 5 DGBDRO CCC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000453120512 241634656 /nfs/dbraw/zinc/63/46/56/241634656.db2.gz NMSQDAZRILQYEO-ZDUSSCGKSA-N 1 0 305.378 3.092 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000271761830 209191723 /nfs/dbraw/zinc/19/17/23/209191723.db2.gz HWCPYBYKRMRFOK-MRXNPFEDSA-N 1 0 316.332 3.046 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000271778698 209205656 /nfs/dbraw/zinc/20/56/56/209205656.db2.gz DCMIQJSUNMVIGO-TZMCWYRMSA-N 1 0 316.357 3.369 20 5 DGBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1C[NH+](C)C ZINC000458311923 243027221 /nfs/dbraw/zinc/02/72/21/243027221.db2.gz ICBRWRKQFVARNN-UHFFFAOYSA-N 1 0 319.386 3.279 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](CCO)C1CCCCC1 ZINC000107904877 284057668 /nfs/dbraw/zinc/05/76/68/284057668.db2.gz TYVGSYFYFPDBDS-UHFFFAOYSA-N 1 0 312.797 3.375 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[C@H]1C ZINC000467433183 243992100 /nfs/dbraw/zinc/99/21/00/243992100.db2.gz PBJWUAOQCSBAGV-MGPQQGTHSA-N 1 0 319.405 3.338 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000468561153 244053123 /nfs/dbraw/zinc/05/31/23/244053123.db2.gz SCKXHYQPLGHJGO-DAXOMENPSA-N 1 0 306.406 3.319 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C2CC2)CC1 ZINC000468631305 244057242 /nfs/dbraw/zinc/05/72/42/244057242.db2.gz KHHHHMDIWIWVCL-SDNWHVSQSA-N 1 0 315.417 3.215 20 5 DGBDRO CCC[NH+]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470174775 244153634 /nfs/dbraw/zinc/15/36/34/244153634.db2.gz VLGRZXFZCRNZFK-QINSGFPZSA-N 1 0 303.406 3.026 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000470200601 244158689 /nfs/dbraw/zinc/15/86/89/244158689.db2.gz CADBISOUQFWTIP-WJANQJKRSA-N 1 0 315.417 3.024 20 5 DGBDRO Cc1cc(NCC2([NH+](C)C)CCCCCC2)ncc1[N+](=O)[O-] ZINC000470859266 244190401 /nfs/dbraw/zinc/19/04/01/244190401.db2.gz JQXUVJPOAHGRRK-UHFFFAOYSA-N 1 0 306.410 3.365 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCCO[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000472578958 244309450 /nfs/dbraw/zinc/30/94/50/244309450.db2.gz NPBIBHULPLAKHZ-PBHICJAKSA-N 1 0 322.405 3.487 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@H]4CCC[C@H]43)o2)c1 ZINC000472562120 244309752 /nfs/dbraw/zinc/30/97/52/244309752.db2.gz HBXZLDLABHURQY-UKRRQHHQSA-N 1 0 313.357 3.277 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000119214723 284137864 /nfs/dbraw/zinc/13/78/64/284137864.db2.gz BSFQNLNAXGKUJE-CYBMUJFWSA-N 1 0 323.824 3.166 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOC(F)(F)F)C1CC1 ZINC000474084982 244367344 /nfs/dbraw/zinc/36/73/44/244367344.db2.gz VPBWRNPAKAZQDM-GFCCVEGCSA-N 1 0 318.295 3.042 20 5 DGBDRO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000093482741 193258331 /nfs/dbraw/zinc/25/83/31/193258331.db2.gz GFBNFFRROAJBOA-UKRRQHHQSA-N 1 0 306.406 3.454 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093742099 193298718 /nfs/dbraw/zinc/29/87/18/193298718.db2.gz BNRBFSXPHXXKPU-INIZCTEOSA-N 1 0 305.422 3.067 20 5 DGBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000093863897 193319363 /nfs/dbraw/zinc/31/93/63/193319363.db2.gz ZLQAASSMVXWPOF-OAHLLOKOSA-N 1 0 314.389 3.146 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C/C=C/c1ccncc1 ZINC000487549747 245073337 /nfs/dbraw/zinc/07/33/37/245073337.db2.gz OMNGBVOVYKCUPQ-OWOJBTEDSA-N 1 0 317.776 3.489 20 5 DGBDRO Cc1cc(NC[C@H](C)C[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000488994523 245261058 /nfs/dbraw/zinc/26/10/58/245261058.db2.gz QYVPEGQNGLTIHN-NSHDSACASA-N 1 0 302.378 3.061 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000489130564 245273180 /nfs/dbraw/zinc/27/31/80/245273180.db2.gz JZBFMEUSTVTVKR-AWEZNQCLSA-N 1 0 303.406 3.216 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000490313609 245394546 /nfs/dbraw/zinc/39/45/46/245394546.db2.gz FYNKYGZGAATWBQ-HUUCEWRRSA-N 1 0 303.406 3.216 20 5 DGBDRO Cc1noc(C)c1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000126980671 284323403 /nfs/dbraw/zinc/32/34/03/284323403.db2.gz BNFQDOCAQITDDS-UHFFFAOYSA-N 1 0 301.346 3.364 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000268767313 432128496 /nfs/dbraw/zinc/12/84/96/432128496.db2.gz CIMDALYEDADBFJ-SUMWQHHRSA-N 1 0 300.358 3.287 20 5 DGBDRO C[C@](CO)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000282972630 217360317 /nfs/dbraw/zinc/36/03/17/217360317.db2.gz CWSAYITXGKTXRJ-MRXNPFEDSA-N 1 0 310.369 3.155 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1ccccc1 ZINC000288537492 220215680 /nfs/dbraw/zinc/21/56/80/220215680.db2.gz KPYFBQVRKHXTSO-ZBEGNZNMSA-N 1 0 320.776 3.460 20 5 DGBDRO CC[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775127 432131290 /nfs/dbraw/zinc/13/12/90/432131290.db2.gz NMSSVPCCDBGELC-GVDBMIGSSA-N 1 0 303.406 3.262 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])c1ccco1 ZINC000288547298 220225768 /nfs/dbraw/zinc/22/57/68/220225768.db2.gz SQUUZTAKSUVGSY-HNNXBMFYSA-N 1 0 318.377 3.265 20 5 DGBDRO COCC(C)(C)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494182302 246118734 /nfs/dbraw/zinc/11/87/34/246118734.db2.gz IYDGIJMPFLDCAB-UHFFFAOYSA-N 1 0 300.786 3.053 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000293926217 223771636 /nfs/dbraw/zinc/77/16/36/223771636.db2.gz HBAGSOFXWPBIJL-JJRVBVJISA-N 1 0 306.406 3.057 20 5 DGBDRO COC(=O)Nc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000495685388 246296035 /nfs/dbraw/zinc/29/60/35/246296035.db2.gz DVGSEJYVGXHBOJ-UHFFFAOYSA-N 1 0 315.329 3.063 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccccc1CO)c1cccc([N+](=O)[O-])c1 ZINC000151800401 284581790 /nfs/dbraw/zinc/58/17/90/284581790.db2.gz FIAROMGJKKLVGB-QGZVFWFLSA-N 1 0 300.358 3.328 20 5 DGBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000181811164 432145708 /nfs/dbraw/zinc/14/57/08/432145708.db2.gz NSNKYJSYVKTJQY-CYBMUJFWSA-N 1 0 301.346 3.110 20 5 DGBDRO C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000043305012 183353150 /nfs/dbraw/zinc/35/31/50/183353150.db2.gz NIQCFWGLSIIRCS-AWEZNQCLSA-N 1 0 319.748 3.147 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000284309053 217973118 /nfs/dbraw/zinc/97/31/18/217973118.db2.gz JGXQPLSFTAEMDA-HOCLYGCPSA-N 1 0 318.417 3.201 20 5 DGBDRO Cc1nc(NC[C@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268476481 206742682 /nfs/dbraw/zinc/74/26/82/206742682.db2.gz KNMFVOZAAZMGJX-GFCCVEGCSA-N 1 0 306.391 3.075 20 5 DGBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H](O)c1ccccc1 ZINC000285171971 218317624 /nfs/dbraw/zinc/31/76/24/218317624.db2.gz CQLJMRNCRJAIGW-GOSISDBHSA-N 1 0 314.385 3.193 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285340402 218388007 /nfs/dbraw/zinc/38/80/07/218388007.db2.gz UUFDLYZQCGEIPN-MLGOLLRUSA-N 1 0 319.405 3.177 20 5 DGBDRO CC(C)[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245568024 284826329 /nfs/dbraw/zinc/82/63/29/284826329.db2.gz XZNWCOQILCWMJY-QILLFSRXSA-N 1 0 320.433 3.303 20 5 DGBDRO CCC[C@@H]([NH2+]CCn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000268855398 207022450 /nfs/dbraw/zinc/02/24/50/207022450.db2.gz ZCCXAUKYDIGHLQ-MRXNPFEDSA-N 1 0 302.378 3.231 20 5 DGBDRO CC(C)n1cc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000268908670 207077285 /nfs/dbraw/zinc/07/72/85/207077285.db2.gz FKCLIOZYXNLNPB-CYBMUJFWSA-N 1 0 302.378 3.266 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000246108509 284867371 /nfs/dbraw/zinc/86/73/71/284867371.db2.gz BSSTXXCNNUZDIF-RDBSUJKOSA-N 1 0 317.389 3.044 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000269003515 207159265 /nfs/dbraw/zinc/15/92/65/207159265.db2.gz PXLMMPJVKYKLIJ-SWLSCSKDSA-N 1 0 323.824 3.164 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](CC(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000063493190 184283496 /nfs/dbraw/zinc/28/34/96/184283496.db2.gz KXNQHFZDKKZBSU-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO COCC(C)(C)CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294493114 224054983 /nfs/dbraw/zinc/05/49/83/224054983.db2.gz XWZBLVDNNRJJOM-GFCCVEGCSA-N 1 0 309.410 3.280 20 5 DGBDRO COCC(C)(C)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294493118 224055217 /nfs/dbraw/zinc/05/52/17/224055217.db2.gz XWZBLVDNNRJJOM-LBPRGKRZSA-N 1 0 309.410 3.280 20 5 DGBDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000248838798 285029833 /nfs/dbraw/zinc/02/98/33/285029833.db2.gz NCOSGWPZCBWNHK-FQLMCAECSA-N 1 0 306.406 3.319 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1CO ZINC000249100711 285055684 /nfs/dbraw/zinc/05/56/84/285055684.db2.gz PLCXXMGRVNPCOJ-LRDDRELGSA-N 1 0 316.357 3.058 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161922781 285077161 /nfs/dbraw/zinc/07/71/61/285077161.db2.gz DABQEYTZVZITNE-IUODEOHRSA-N 1 0 319.380 3.187 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1C ZINC000336854807 253008957 /nfs/dbraw/zinc/00/89/57/253008957.db2.gz RTLFJRGMBOPLKN-NEPJUHHUSA-N 1 0 300.362 3.038 20 5 DGBDRO COc1cc(NCC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000302149854 533033859 /nfs/dbraw/zinc/03/38/59/533033859.db2.gz LQZGZHWBEUEWAF-CYBMUJFWSA-N 1 0 307.394 3.280 20 5 DGBDRO CCOC(=O)C1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000336876413 253016750 /nfs/dbraw/zinc/01/67/50/253016750.db2.gz SFAMNDPWXMIMJY-UHFFFAOYSA-N 1 0 320.389 3.115 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000337308020 253082692 /nfs/dbraw/zinc/08/26/92/253082692.db2.gz SSDYPPUXVZEVJA-WCQYABFASA-N 1 0 300.305 3.153 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420258183 285088266 /nfs/dbraw/zinc/08/82/66/285088266.db2.gz JSMBPACPOYFEQS-KCJUWKMLSA-N 1 0 316.188 3.090 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337413748 253110953 /nfs/dbraw/zinc/11/09/53/253110953.db2.gz OMOCQHCSYNCWHI-DGCLKSJQSA-N 1 0 318.295 3.374 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000337345178 253092470 /nfs/dbraw/zinc/09/24/70/253092470.db2.gz ZYWAXVGEWUUMDD-ZDUSSCGKSA-N 1 0 307.394 3.290 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161871142 285095908 /nfs/dbraw/zinc/09/59/08/285095908.db2.gz IOUYHBAJYXAWSP-IUODEOHRSA-N 1 0 319.380 3.187 20 5 DGBDRO CCOC(=O)CC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000159059105 197323140 /nfs/dbraw/zinc/32/31/40/197323140.db2.gz VDEKQPVOVKHZQF-UHFFFAOYSA-N 1 0 320.389 3.068 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341990040 285154530 /nfs/dbraw/zinc/15/45/30/285154530.db2.gz LGUNSXMZLMWJDQ-HNNXBMFYSA-N 1 0 310.781 3.251 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCC1(O)CCC1)C1CC1 ZINC000421864871 285160951 /nfs/dbraw/zinc/16/09/51/285160951.db2.gz YEPQVZONERUZFP-MRXNPFEDSA-N 1 0 318.417 3.201 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC000157735845 197212027 /nfs/dbraw/zinc/21/20/27/197212027.db2.gz VSHQYBPWYJAQRG-HNNXBMFYSA-N 1 0 320.780 3.282 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC23CCC(CC2)C3)n1 ZINC000447574078 285169399 /nfs/dbraw/zinc/16/93/99/285169399.db2.gz LENRWMDASVMQNW-DGNOSDGRSA-N 1 0 318.421 3.445 20 5 DGBDRO CC[C@H](C)[NH2+][C@H](CNc1nc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000343252170 254120767 /nfs/dbraw/zinc/12/07/67/254120767.db2.gz PZEWFOGQRSEETD-WCQYABFASA-N 1 0 318.377 3.433 20 5 DGBDRO C[NH+](C)CCc1ccc(CNc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000342964484 254081157 /nfs/dbraw/zinc/08/11/57/254081157.db2.gz YDKGLHBTMNBYKB-UHFFFAOYSA-N 1 0 317.364 3.450 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343682063 254177510 /nfs/dbraw/zinc/17/75/10/254177510.db2.gz HSVALVJFTACTFC-STQMWFEESA-N 1 0 307.394 3.290 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344032907 254215839 /nfs/dbraw/zinc/21/58/39/254215839.db2.gz FDONCBYYWKMERV-ZIAGYGMSSA-N 1 0 317.389 3.210 20 5 DGBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000344205095 254239102 /nfs/dbraw/zinc/23/91/02/254239102.db2.gz DVGXDWPHIQORJY-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO CC[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344212474 254239791 /nfs/dbraw/zinc/23/97/91/254239791.db2.gz DEPDBFBOBQNTPC-CXAGYDPISA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000344230258 254242034 /nfs/dbraw/zinc/24/20/34/254242034.db2.gz JDEHVMSQEPIFQD-MLGOLLRUSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344001333 254211265 /nfs/dbraw/zinc/21/12/65/254211265.db2.gz YLUPZYRCPYNTCH-TZMCWYRMSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000157002912 197154602 /nfs/dbraw/zinc/15/46/02/197154602.db2.gz QOAOOGPUASMBBJ-NHYWBVRUSA-N 1 0 306.387 3.215 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000344842676 254309793 /nfs/dbraw/zinc/30/97/93/254309793.db2.gz HCLUEGQRBCBBDH-LTPTVGFGSA-N 1 0 304.390 3.139 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000344858563 254310849 /nfs/dbraw/zinc/31/08/49/254310849.db2.gz OQXMVMBZOJKLAJ-SSUFTNFISA-N 1 0 303.406 3.070 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000271791525 285208293 /nfs/dbraw/zinc/20/82/93/285208293.db2.gz WSQWNSIKWDZNRM-UKRRQHHQSA-N 1 0 320.389 3.240 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000154542794 196972919 /nfs/dbraw/zinc/97/29/19/196972919.db2.gz TYBNKRQYSSIUSZ-CABCVRRESA-N 1 0 306.387 3.431 20 5 DGBDRO C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294700977 224178121 /nfs/dbraw/zinc/17/81/21/224178121.db2.gz JAQVWSRYLVFUMK-GFCCVEGCSA-N 1 0 320.437 3.091 20 5 DGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000154264460 196953340 /nfs/dbraw/zinc/95/33/40/196953340.db2.gz ONHHPVWHCWQAST-LBPRGKRZSA-N 1 0 314.341 3.312 20 5 DGBDRO CCn1cc([C@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000294800253 224229776 /nfs/dbraw/zinc/22/97/76/224229776.db2.gz IHNGWGBRUFKTEV-CFNZNRNTSA-N 1 0 300.362 3.175 20 5 DGBDRO Cc1ccc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000120492975 195177355 /nfs/dbraw/zinc/17/73/55/195177355.db2.gz MRLPDIJQGFZFNB-XQQFMLRXSA-N 1 0 305.378 3.103 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2cnccc2C)cc1[N+](=O)[O-] ZINC000271569875 209021709 /nfs/dbraw/zinc/02/17/09/209021709.db2.gz XBCWSUYIRRJVCL-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO C[C@@H](CO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000289496871 221018224 /nfs/dbraw/zinc/01/82/24/221018224.db2.gz SJGIWMPVCGOUTA-JTQLQIEISA-N 1 0 324.764 3.321 20 5 DGBDRO CCc1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000289550065 221059464 /nfs/dbraw/zinc/05/94/64/221059464.db2.gz RBBQAKJPZWRCGT-UHFFFAOYSA-N 1 0 305.403 3.288 20 5 DGBDRO CCn1nc(C)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000289672766 221144404 /nfs/dbraw/zinc/14/44/04/221144404.db2.gz ZHCIEWVAZQCFQT-UHFFFAOYSA-N 1 0 316.405 3.103 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000294872118 224277204 /nfs/dbraw/zinc/27/72/04/224277204.db2.gz PHRJKDFIZOGWLW-SNVBAGLBSA-N 1 0 308.769 3.315 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@H]1O ZINC000289828609 221251566 /nfs/dbraw/zinc/25/15/66/221251566.db2.gz UFWLPPHTOLGEFI-HZPDHXFCSA-N 1 0 316.357 3.200 20 5 DGBDRO COc1cncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000289831188 221255629 /nfs/dbraw/zinc/25/56/29/221255629.db2.gz AMKYCXXIVCCBEW-UHFFFAOYSA-N 1 0 315.373 3.409 20 5 DGBDRO CC[N@H+](CCCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289889772 221295823 /nfs/dbraw/zinc/29/58/23/221295823.db2.gz MHGHHDGLSVTCMP-UHFFFAOYSA-N 1 0 307.177 3.106 20 5 DGBDRO C[C@H]([NH2+]CCCCCn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000294949089 224332134 /nfs/dbraw/zinc/33/21/34/224332134.db2.gz AQFZCLXCQWTCOT-AWEZNQCLSA-N 1 0 302.378 3.312 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000294950764 224333440 /nfs/dbraw/zinc/33/34/40/224333440.db2.gz ATIZOKHAKJCJSP-UONOGXRCSA-N 1 0 303.406 3.072 20 5 DGBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290175718 221467335 /nfs/dbraw/zinc/46/73/35/221467335.db2.gz NCOSGWPZCBWNHK-NYTXWWLZSA-N 1 0 306.406 3.319 20 5 DGBDRO COC[C@@]1(C)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000294951680 224335002 /nfs/dbraw/zinc/33/50/02/224335002.db2.gz MCQZBBJCXRSHTH-KRWDZBQOSA-N 1 0 315.373 3.314 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C(C)C)CC1 ZINC000470175701 533406622 /nfs/dbraw/zinc/40/66/22/533406622.db2.gz RPCXKAFDPGRFTQ-RVDMUPIBSA-N 1 0 303.406 3.024 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000468620375 533409233 /nfs/dbraw/zinc/40/92/33/533409233.db2.gz SIHZQMHXSNHCIV-PZLHCRFSSA-N 1 0 304.390 3.403 20 5 DGBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000272229669 130011268 /nfs/dbraw/zinc/01/12/68/130011268.db2.gz JPKHTZJPSXBVNF-HIFRSBDPSA-N 1 0 319.408 3.197 20 5 DGBDRO CSC1(CNc2c(C)cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357561224 285786621 /nfs/dbraw/zinc/78/66/21/285786621.db2.gz UUHWNOBOLJWEPI-UHFFFAOYSA-N 1 0 309.435 3.143 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000066410720 400086389 /nfs/dbraw/zinc/08/63/89/400086389.db2.gz XKWSXZPWCWXTDK-ZDUSSCGKSA-N 1 0 303.387 3.343 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)C1CCCCC1 ZINC000584665537 400087131 /nfs/dbraw/zinc/08/71/31/400087131.db2.gz QCISNBOCMABMIW-HZPDHXFCSA-N 1 0 304.390 3.113 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595047549 400087879 /nfs/dbraw/zinc/08/78/79/400087879.db2.gz TUCNUHAEGFHAFX-RWMBFGLXSA-N 1 0 310.394 3.051 20 5 DGBDRO Cc1c([C@H](C)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595057533 400094145 /nfs/dbraw/zinc/09/41/45/400094145.db2.gz ZIVMICHOUHALGF-UONOGXRCSA-N 1 0 305.422 3.427 20 5 DGBDRO CC[C@@H](CSC)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000091098787 400094720 /nfs/dbraw/zinc/09/47/20/400094720.db2.gz NHCVBTOVWZGGLE-JTQLQIEISA-N 1 0 309.391 3.309 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000595069831 400097590 /nfs/dbraw/zinc/09/75/90/400097590.db2.gz SKWAOMBTNTWBHW-SQWLQELKSA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000595069408 400097678 /nfs/dbraw/zinc/09/76/78/400097678.db2.gz SACCHYWYDNXKQJ-ABAIWWIYSA-N 1 0 304.390 3.068 20 5 DGBDRO CC(C)(C)OCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595077301 400100501 /nfs/dbraw/zinc/10/05/01/400100501.db2.gz QVPGAWSUMUQFAE-KBPBESRZSA-N 1 0 324.425 3.070 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000595088562 400101510 /nfs/dbraw/zinc/10/15/10/400101510.db2.gz JQMGIVPDMKKRQQ-GXTWGEPZSA-N 1 0 322.405 3.053 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccoc2)cc1[N+](=O)[O-] ZINC000595088375 400101890 /nfs/dbraw/zinc/10/18/90/400101890.db2.gz QHFTWLRGAGYKQL-GFCCVEGCSA-N 1 0 304.346 3.480 20 5 DGBDRO CC(C)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000303640002 400109698 /nfs/dbraw/zinc/10/96/98/400109698.db2.gz QSRWXRCIRGJRBZ-AWEZNQCLSA-N 1 0 319.405 3.291 20 5 DGBDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000595022555 400079703 /nfs/dbraw/zinc/07/97/03/400079703.db2.gz MXNNSYNSBIKVLD-AWEZNQCLSA-N 1 0 322.796 3.056 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000595022739 400079787 /nfs/dbraw/zinc/07/97/87/400079787.db2.gz VEXQDTSJWSOBLD-LKTVYLICSA-N 1 0 308.378 3.068 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000595026862 400080419 /nfs/dbraw/zinc/08/04/19/400080419.db2.gz NQHZSGLKLKUMOM-MRXNPFEDSA-N 1 0 314.389 3.239 20 5 DGBDRO C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090891025 400081171 /nfs/dbraw/zinc/08/11/71/400081171.db2.gz MZLYZPWBQWLPLH-SJCJKPOMSA-N 1 0 318.348 3.292 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000595029133 400081568 /nfs/dbraw/zinc/08/15/68/400081568.db2.gz HORVDABWECIPCA-NXEZZACHSA-N 1 0 300.305 3.442 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000595027834 400081669 /nfs/dbraw/zinc/08/16/69/400081669.db2.gz UALOCXUQXDRSAD-SLEUVZQESA-N 1 0 308.378 3.069 20 5 DGBDRO CCOCCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595033139 400082701 /nfs/dbraw/zinc/08/27/01/400082701.db2.gz BLBACRZJLAMQSP-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000595037319 400084794 /nfs/dbraw/zinc/08/47/94/400084794.db2.gz DVMVKBKUZBAJFM-MNOVXSKESA-N 1 0 317.345 3.116 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595513363 400173491 /nfs/dbraw/zinc/17/34/91/400173491.db2.gz UPAAVMXVZCKWIR-LSDHHAIUSA-N 1 0 308.353 3.171 20 5 DGBDRO Cc1cc(N2CCC[C@@H](CCO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322350194 400173795 /nfs/dbraw/zinc/17/37/95/400173795.db2.gz FKKYVMGDODCYKC-ZDUSSCGKSA-N 1 0 315.373 3.050 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000595521550 400176623 /nfs/dbraw/zinc/17/66/23/400176623.db2.gz DUYFIAAKMFJZDK-OAHLLOKOSA-N 1 0 310.394 3.453 20 5 DGBDRO CN1Cc2ccccc2[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000588007571 400179446 /nfs/dbraw/zinc/17/94/46/400179446.db2.gz IOTSLFQNHBEKTN-AWEZNQCLSA-N 1 0 301.321 3.333 20 5 DGBDRO C[C@@H](O)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000595303249 400123717 /nfs/dbraw/zinc/12/37/17/400123717.db2.gz OCQWFTMRPHSNHV-GFCCVEGCSA-N 1 0 310.369 3.249 20 5 DGBDRO Cc1noc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595321449 400126366 /nfs/dbraw/zinc/12/63/66/400126366.db2.gz LWTPQNWOFDVJQQ-ZDUSSCGKSA-N 1 0 319.336 3.095 20 5 DGBDRO Cc1noc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595323497 400126798 /nfs/dbraw/zinc/12/67/98/400126798.db2.gz YXIVVWAECQBRKT-GXFFZTMASA-N 1 0 319.336 3.408 20 5 DGBDRO Cc1noc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595323494 400127333 /nfs/dbraw/zinc/12/73/33/400127333.db2.gz YXIVVWAECQBRKT-GWCFXTLKSA-N 1 0 319.336 3.408 20 5 DGBDRO C[C@@H](CN1CCCCC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000608836336 400128248 /nfs/dbraw/zinc/12/82/48/400128248.db2.gz KSIAGROEPYCJIO-VIHMKRCTSA-N 1 0 303.406 3.072 20 5 DGBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000608836617 400128408 /nfs/dbraw/zinc/12/84/08/400128408.db2.gz YPMADXAWHGFWEB-GFCCVEGCSA-N 1 0 314.389 3.131 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CN1 ZINC000600679702 400128406 /nfs/dbraw/zinc/12/84/06/400128406.db2.gz NRBZWLTVZDZTOH-JHNDHUHGSA-N 1 0 317.433 3.036 20 5 DGBDRO CCc1nc(C)c([C@@H](C)N(C)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000595330620 400128627 /nfs/dbraw/zinc/12/86/27/400128627.db2.gz MGMQUPKSSUXQBN-SNVBAGLBSA-N 1 0 324.406 3.412 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000595328533 400128889 /nfs/dbraw/zinc/12/88/89/400128889.db2.gz VVNAISKNCQJJBV-UHFFFAOYSA-N 1 0 308.353 3.127 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC3CC=CC3)CC2)cc1 ZINC000595330589 400128989 /nfs/dbraw/zinc/12/89/89/400128989.db2.gz MJBFZGUIFDVXMW-UHFFFAOYSA-N 1 0 302.374 3.404 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000595397216 400141648 /nfs/dbraw/zinc/14/16/48/400141648.db2.gz OURMEKNICRAINV-UHFFFAOYSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000595422063 400144533 /nfs/dbraw/zinc/14/45/33/400144533.db2.gz NLJSCOGOFDTDQN-ZIAGYGMSSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000595423946 400145790 /nfs/dbraw/zinc/14/57/90/400145790.db2.gz SZPHWMRZWKVQBT-HNNXBMFYSA-N 1 0 308.353 3.125 20 5 DGBDRO Cc1noc(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000595427951 400147118 /nfs/dbraw/zinc/14/71/18/400147118.db2.gz VDCRCAUTBZRLIQ-AWEZNQCLSA-N 1 0 301.346 3.189 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC000092072094 400151444 /nfs/dbraw/zinc/15/14/44/400151444.db2.gz LQJJZDCFGNPKHU-CQSZACIVSA-N 1 0 300.362 3.006 20 5 DGBDRO CC(C)[NH2+]Cc1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1 ZINC000600784150 400152220 /nfs/dbraw/zinc/15/22/20/400152220.db2.gz YQNTWQRKKPLOBG-UHFFFAOYSA-N 1 0 300.358 3.252 20 5 DGBDRO C[C@@](CO)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000609707695 400187234 /nfs/dbraw/zinc/18/72/34/400187234.db2.gz SWLSKAXGKCPAPX-CNRGFGOASA-N 1 0 312.369 3.105 20 5 DGBDRO C[C@@H](c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)N1CC[NH2+]CC1 ZINC000600786140 400152983 /nfs/dbraw/zinc/15/29/83/400152983.db2.gz NSPFBTZEZVOCPU-AWEZNQCLSA-N 1 0 311.385 3.228 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1-c1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000600788656 400154564 /nfs/dbraw/zinc/15/45/64/400154564.db2.gz FQCYJPJTISHJRT-MRXNPFEDSA-N 1 0 302.305 3.062 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609705152 400187735 /nfs/dbraw/zinc/18/77/35/400187735.db2.gz VTZJKZNSRQHMIT-CQSZACIVSA-N 1 0 311.813 3.211 20 5 DGBDRO CC(=O)c1ccc(NCC2([NH+](C)C)CCCCC2)c([N+](=O)[O-])c1 ZINC000015168761 400161530 /nfs/dbraw/zinc/16/15/30/400161530.db2.gz GRLGRCATZJCZPY-UHFFFAOYSA-N 1 0 319.405 3.474 20 5 DGBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000015256772 400161561 /nfs/dbraw/zinc/16/15/61/400161561.db2.gz DKRPBDZQKFOLDN-UHFFFAOYSA-N 1 0 306.362 3.226 20 5 DGBDRO CC[C@@H](CC(F)F)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595479147 400164418 /nfs/dbraw/zinc/16/44/18/400164418.db2.gz CSQRHDPAZCTTBD-NSHDSACASA-N 1 0 316.352 3.110 20 5 DGBDRO CO[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595485719 400165114 /nfs/dbraw/zinc/16/51/14/400165114.db2.gz WXKIHBIVTZFOFC-KRWDZBQOSA-N 1 0 306.406 3.274 20 5 DGBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595505032 400170437 /nfs/dbraw/zinc/17/04/37/400170437.db2.gz POIFHCNBWQNPPO-MRXNPFEDSA-N 1 0 323.824 3.166 20 5 DGBDRO CC[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCOC1 ZINC000616865629 400237012 /nfs/dbraw/zinc/23/70/12/400237012.db2.gz YWZNAEUACSGFPA-INIZCTEOSA-N 1 0 308.378 3.041 20 5 DGBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000610420542 400256248 /nfs/dbraw/zinc/25/62/48/400256248.db2.gz OYKDFGWXQALVPO-QWQRMKEZSA-N 1 0 314.385 3.410 20 5 DGBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000601154676 400250819 /nfs/dbraw/zinc/25/08/19/400250819.db2.gz SOLRNHCJOWMZOU-UHFFFAOYSA-N 1 0 318.402 3.128 20 5 DGBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@@H+]1C ZINC000093659941 400251678 /nfs/dbraw/zinc/25/16/78/400251678.db2.gz GVFJOUPLDPHVNB-LKUPDRCFSA-N 1 0 317.433 3.414 20 5 DGBDRO Cc1c(NC(=O)CC[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000026155965 400254112 /nfs/dbraw/zinc/25/41/12/400254112.db2.gz SYSJEOISMLOIEU-UHFFFAOYSA-N 1 0 305.378 3.108 20 5 DGBDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595638300 400214888 /nfs/dbraw/zinc/21/48/88/400214888.db2.gz FWDWTVSSIGOTJA-GFCCVEGCSA-N 1 0 307.394 3.256 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000595792268 400263210 /nfs/dbraw/zinc/26/32/10/400263210.db2.gz ZBLDAVMPSVOOPN-FUHWJXTLSA-N 1 0 318.417 3.418 20 5 DGBDRO Cc1cnc(NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000610511346 400267881 /nfs/dbraw/zinc/26/78/81/400267881.db2.gz RFSSXIGDSFMXAQ-UHFFFAOYSA-N 1 0 304.394 3.117 20 5 DGBDRO C[C@@H]1COC2(CCCC2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595814795 400268066 /nfs/dbraw/zinc/26/80/66/400268066.db2.gz JAARYUDNXBQBQT-CQSZACIVSA-N 1 0 304.390 3.171 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC3(CCC3)CC1)OCCO2 ZINC000589188163 400271828 /nfs/dbraw/zinc/27/18/28/400271828.db2.gz CQZNOKOWKJGAOZ-UHFFFAOYSA-N 1 0 318.373 3.132 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+]C2(CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000595830989 400273877 /nfs/dbraw/zinc/27/38/77/400273877.db2.gz JDEPIBUSVUPGHO-CYBMUJFWSA-N 1 0 319.405 3.399 20 5 DGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589206586 400277126 /nfs/dbraw/zinc/27/71/26/400277126.db2.gz UAKAMMGDWAIGKK-GGVHLCNSSA-N 1 0 315.417 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCC3CC3)CC3CC3)nc2c1 ZINC000595870995 400283146 /nfs/dbraw/zinc/28/31/46/400283146.db2.gz IZOTXXKSFWXCGX-UHFFFAOYSA-N 1 0 314.389 3.483 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000601303311 400287314 /nfs/dbraw/zinc/28/73/14/400287314.db2.gz DQGYWZOXUPDXIB-LLVKDONJSA-N 1 0 317.345 3.003 20 5 DGBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000589326419 400288541 /nfs/dbraw/zinc/28/85/41/400288541.db2.gz GWSAARIWDRRPBB-UHFFFAOYSA-N 1 0 310.369 3.420 20 5 DGBDRO C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CC[NH3+] ZINC000404322895 400295024 /nfs/dbraw/zinc/29/50/24/400295024.db2.gz RYCDUKSITQBPJD-XHDPSFHLSA-N 1 0 311.813 3.198 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[N@H+](C)C1CC1 ZINC000068913615 400299627 /nfs/dbraw/zinc/29/96/27/400299627.db2.gz YZHDQAQBZGUYPY-LLVKDONJSA-N 1 0 300.362 3.038 20 5 DGBDRO CCC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])CC1CC1 ZINC000589494237 400300281 /nfs/dbraw/zinc/30/02/81/400300281.db2.gz FICSBTPAWUCTNF-UHFFFAOYSA-N 1 0 306.362 3.003 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)C[C@H](C)C2)c1 ZINC000589501637 400302103 /nfs/dbraw/zinc/30/21/03/400302103.db2.gz UQZAZGNPAGZKJM-STQMWFEESA-N 1 0 320.389 3.249 20 5 DGBDRO COc1cc(NCC(C)(C)C[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596056343 400305706 /nfs/dbraw/zinc/30/57/06/400305706.db2.gz SLEATNXDADVNSB-UHFFFAOYSA-N 1 0 315.801 3.257 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCC(C)CC1 ZINC000596092461 400315780 /nfs/dbraw/zinc/31/57/80/400315780.db2.gz AMRVRONBAQZJSA-CSLYMUCUSA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094078 400315839 /nfs/dbraw/zinc/31/58/39/400315839.db2.gz JFAHHGWXDVSELL-HOCLYGCPSA-N 1 0 317.433 3.367 20 5 DGBDRO CC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000030144622 400321332 /nfs/dbraw/zinc/32/13/32/400321332.db2.gz NKSROAOXXGSGLP-AWEZNQCLSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CO)CCCCC1 ZINC000611336425 400379924 /nfs/dbraw/zinc/37/99/24/400379924.db2.gz MFLRBOABYGEFHN-CQSZACIVSA-N 1 0 306.406 3.497 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H](CO)CC1CC1 ZINC000611337407 400380031 /nfs/dbraw/zinc/38/00/31/400380031.db2.gz BJQVPNDICSHPCR-BHYGNILZSA-N 1 0 318.417 3.057 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)cn1 ZINC000072521974 400386404 /nfs/dbraw/zinc/38/64/04/400386404.db2.gz PQNIQHVZFOEKCI-CQSZACIVSA-N 1 0 316.361 3.222 20 5 DGBDRO CCOc1cc(C[N@H+](C)CCOC(C)(C)C)ccc1[N+](=O)[O-] ZINC000617210293 400330565 /nfs/dbraw/zinc/33/05/65/400330565.db2.gz QVEDMPVXXXXKIM-UHFFFAOYSA-N 1 0 310.394 3.240 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000589950174 400341399 /nfs/dbraw/zinc/34/13/99/400341399.db2.gz WSBJEOHLJYZPIW-UFGOTCBOSA-N 1 0 318.295 3.091 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000590079680 400353914 /nfs/dbraw/zinc/35/39/14/400353914.db2.gz IQKQLEDTEDBPOT-ZDUSSCGKSA-N 1 0 314.389 3.110 20 5 DGBDRO COc1cc(NCC2([NH+](C)C)CCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596223431 400355037 /nfs/dbraw/zinc/35/50/37/400355037.db2.gz QWYCNWLBZVFKAI-UHFFFAOYSA-N 1 0 313.785 3.153 20 5 DGBDRO CC(=O)c1ccc(OC[C@H]2CCCC[N@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000596266301 400365853 /nfs/dbraw/zinc/36/58/53/400365853.db2.gz PZPFWKCGTHXHRR-OAHLLOKOSA-N 1 0 320.389 3.439 20 5 DGBDRO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000611257670 400366769 /nfs/dbraw/zinc/36/67/69/400366769.db2.gz BOKQZCWHYPPENR-VURMDHGXSA-N 1 0 304.390 3.499 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000611261512 400368693 /nfs/dbraw/zinc/36/86/93/400368693.db2.gz HUVXYMYRQBGKMK-CTEOGUNLSA-N 1 0 315.417 3.168 20 5 DGBDRO COC1CC(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000596309518 400377012 /nfs/dbraw/zinc/37/70/12/400377012.db2.gz STJZLKIHJIWRID-UHFFFAOYSA-N 1 0 315.373 3.100 20 5 DGBDRO C[C@@H](CCNc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000596431922 400413586 /nfs/dbraw/zinc/41/35/86/400413586.db2.gz PABOXUYAIKAQRB-VIFPVBQESA-N 1 0 316.199 3.109 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000611516002 400413637 /nfs/dbraw/zinc/41/36/37/400413637.db2.gz YZTQXRBJHYUHIM-HOCLYGCPSA-N 1 0 314.389 3.498 20 5 DGBDRO C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000611560201 400420672 /nfs/dbraw/zinc/42/06/72/400420672.db2.gz HFUYNSLTWNJUFZ-WBMJQRKESA-N 1 0 314.389 3.053 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611560188 400421468 /nfs/dbraw/zinc/42/14/68/400421468.db2.gz FSUYNRWNUYFXCO-BLLLJJGKSA-N 1 0 314.389 3.053 20 5 DGBDRO COC1([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000421887509 292149150 /nfs/dbraw/zinc/14/91/50/292149150.db2.gz VYCWTMGSMAYLCU-KGLIPLIRSA-N 1 0 322.405 3.138 20 5 DGBDRO Cc1cc(N2CC[C@@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596493196 400429117 /nfs/dbraw/zinc/42/91/17/400429117.db2.gz IIUVGBQNEVWPHV-OLZOCXBDSA-N 1 0 315.373 3.455 20 5 DGBDRO CC[C@H](COC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000120202340 400443926 /nfs/dbraw/zinc/44/39/26/400443926.db2.gz ZKMWSNGHXIOOCU-GFCCVEGCSA-N 1 0 304.346 3.369 20 5 DGBDRO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120512133 400445569 /nfs/dbraw/zinc/44/55/69/400445569.db2.gz MOPTYXKZIYFJNT-CYBMUJFWSA-N 1 0 313.357 3.193 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570444 400446515 /nfs/dbraw/zinc/44/65/15/400446515.db2.gz LCTGHVBPCVXDFK-ZDUSSCGKSA-N 1 0 307.369 3.268 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000596571529 400447482 /nfs/dbraw/zinc/44/74/82/400447482.db2.gz UTWQUVNYYMCYQJ-OAHLLOKOSA-N 1 0 318.421 3.141 20 5 DGBDRO CCOCCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602571636 400500663 /nfs/dbraw/zinc/50/06/63/400500663.db2.gz AXVJUQYIQCMZGB-UHFFFAOYSA-N 1 0 306.406 3.324 20 5 DGBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602571349 400500729 /nfs/dbraw/zinc/50/07/29/400500729.db2.gz KMJYAZVNRBEDLR-NSHDSACASA-N 1 0 303.362 3.135 20 5 DGBDRO CCCCn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000602584339 400505060 /nfs/dbraw/zinc/50/50/60/400505060.db2.gz ZORNZHRPGOFKMD-UHFFFAOYSA-N 1 0 316.405 3.232 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3CCC[NH2+]CC3)o2)c1 ZINC000591278571 400505616 /nfs/dbraw/zinc/50/56/16/400505616.db2.gz RWROIZCDKRREHX-AWEZNQCLSA-N 1 0 315.373 3.087 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CCC1CCOCC1 ZINC000602604407 400509725 /nfs/dbraw/zinc/50/97/25/400509725.db2.gz QKHOZRJIIOMHHQ-UHFFFAOYSA-N 1 0 312.797 3.197 20 5 DGBDRO CC[C@@](C)(C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000602600339 400509855 /nfs/dbraw/zinc/50/98/55/400509855.db2.gz IFAHSYSQBABRPM-AWEZNQCLSA-N 1 0 300.786 3.195 20 5 DGBDRO C[C@H]1C[C@H](CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602610351 400511028 /nfs/dbraw/zinc/51/10/28/400511028.db2.gz TWIVCLJGQGEWLJ-NWDGAFQWSA-N 1 0 319.361 3.031 20 5 DGBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000596635300 400466571 /nfs/dbraw/zinc/46/65/71/400466571.db2.gz WGLZYEGXWCJVMD-UHFFFAOYSA-N 1 0 312.369 3.350 20 5 DGBDRO COC[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602467962 400469694 /nfs/dbraw/zinc/46/96/94/400469694.db2.gz MFQOTBDQNROBBZ-SNVBAGLBSA-N 1 0 318.295 3.082 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC[C@H]3CCCCO3)nc2c1 ZINC000602615412 400511655 /nfs/dbraw/zinc/51/16/55/400511655.db2.gz GSZSBVHRYPKJSO-CYBMUJFWSA-N 1 0 319.361 3.175 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000590972192 400471558 /nfs/dbraw/zinc/47/15/58/400471558.db2.gz TZKMGGRLWSLFKU-PBHICJAKSA-N 1 0 304.390 3.329 20 5 DGBDRO CC(C)(CCO)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602556931 400496149 /nfs/dbraw/zinc/49/61/49/400496149.db2.gz HBWRRGATQQLMQM-UHFFFAOYSA-N 1 0 320.311 3.112 20 5 DGBDRO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccncc1 ZINC000602562846 400497200 /nfs/dbraw/zinc/49/72/00/400497200.db2.gz JRGKWQPZSOIVAA-LLVKDONJSA-N 1 0 312.329 3.024 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000612133031 400497435 /nfs/dbraw/zinc/49/74/35/400497435.db2.gz UDAGTNFPHCWETN-HIFRSBDPSA-N 1 0 304.390 3.404 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000602565025 400498735 /nfs/dbraw/zinc/49/87/35/400498735.db2.gz YYWTUTQYWDHUIB-IPYPFGDCSA-N 1 0 319.405 3.001 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602568912 400499072 /nfs/dbraw/zinc/49/90/72/400499072.db2.gz PGTPRUVQOFAANG-BBRMVZONSA-N 1 0 318.421 3.127 20 5 DGBDRO C[C@H]1[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000612596490 400572315 /nfs/dbraw/zinc/57/23/15/400572315.db2.gz ZLMZRHIOFQPGFB-ZDTYVGOBSA-N 1 0 316.401 3.499 20 5 DGBDRO CSCCCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602619913 400514416 /nfs/dbraw/zinc/51/44/16/400514416.db2.gz JPWKERBOVLJKLL-UHFFFAOYSA-N 1 0 309.391 3.359 20 5 DGBDRO CC[C@H](C)c1nnc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000602629842 400518074 /nfs/dbraw/zinc/51/80/74/400518074.db2.gz JNLYQQDIWXXQMW-RYUDHWBXSA-N 1 0 317.393 3.120 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCSC1 ZINC000602644463 400522156 /nfs/dbraw/zinc/52/21/56/400522156.db2.gz RFUWTWIDCTXSKI-VIFPVBQESA-N 1 0 320.336 3.456 20 5 DGBDRO Cc1cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000591442811 400526303 /nfs/dbraw/zinc/52/63/03/400526303.db2.gz UNBAVFVKTDCKIG-ZIAGYGMSSA-N 1 0 321.396 3.258 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)nc2c1 ZINC000602661539 400528748 /nfs/dbraw/zinc/52/87/48/400528748.db2.gz DVMJPORPMSDMAZ-JEBQAFNWSA-N 1 0 321.336 3.164 20 5 DGBDRO Cc1cc(NCCCC[N@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000074740924 400531116 /nfs/dbraw/zinc/53/11/16/400531116.db2.gz ZHDGYAOKORQVSZ-CQSZACIVSA-N 1 0 306.410 3.365 20 5 DGBDRO Cc1cc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000074742056 400531340 /nfs/dbraw/zinc/53/13/40/400531340.db2.gz IYIAJPIXFMFPNT-OAHLLOKOSA-N 1 0 318.352 3.152 20 5 DGBDRO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000045771012 400535675 /nfs/dbraw/zinc/53/56/75/400535675.db2.gz WNFRGYKKPMHPSO-UHFFFAOYSA-N 1 0 316.304 3.189 20 5 DGBDRO COCC1(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602677184 400535837 /nfs/dbraw/zinc/53/58/37/400535837.db2.gz WIONXLAGTMDQOS-UHFFFAOYSA-N 1 0 319.361 3.032 20 5 DGBDRO O=c1ccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c[nH]1 ZINC000602684049 400538158 /nfs/dbraw/zinc/53/81/58/400538158.db2.gz FBZQZNOKUANXJT-OAHLLOKOSA-N 1 0 313.357 3.075 20 5 DGBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000602690940 400540740 /nfs/dbraw/zinc/54/07/40/400540740.db2.gz SIDZEOCKMTUFAT-SKDRFNHKSA-N 1 0 318.295 3.271 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000602807511 400580594 /nfs/dbraw/zinc/58/05/94/400580594.db2.gz VHVRUCNHOXMZJT-CYBMUJFWSA-N 1 0 316.405 3.056 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000602807633 400580712 /nfs/dbraw/zinc/58/07/12/400580712.db2.gz ZHBDOWUJQKFSSJ-KRWDZBQOSA-N 1 0 314.389 3.149 20 5 DGBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000046502137 400566900 /nfs/dbraw/zinc/56/69/00/400566900.db2.gz PGQVCXIUEYQLIA-UHFFFAOYSA-N 1 0 316.361 3.409 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1F)C(C)C ZINC000602768494 400568740 /nfs/dbraw/zinc/56/87/40/400568740.db2.gz JGVRVQCMZVDYDQ-UHFFFAOYSA-N 1 0 320.368 3.149 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC(C)(C)C ZINC000592144627 400615100 /nfs/dbraw/zinc/61/51/00/400615100.db2.gz FFXOEXWFBAISOI-UHFFFAOYSA-N 1 0 307.394 3.291 20 5 DGBDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000140153756 400616050 /nfs/dbraw/zinc/61/60/50/400616050.db2.gz BIKYQTQUVHTIPL-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO O=[N+]([O-])c1ccc2sc(-c3nc([C@@H]4CCC[NH2+]4)no3)cc2c1 ZINC000592357955 400637351 /nfs/dbraw/zinc/63/73/51/400637351.db2.gz XSIRIMKPVNZDSA-JTQLQIEISA-N 1 0 316.342 3.284 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000592375148 400641249 /nfs/dbraw/zinc/64/12/49/400641249.db2.gz RPCIKFUWUANDAR-ZKUVKCCHSA-N 1 0 306.406 3.385 20 5 DGBDRO CC1(C)C[NH2+]CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000592427629 400648046 /nfs/dbraw/zinc/64/80/46/400648046.db2.gz JPTQCEKXCFKIPX-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO CC1(C)C[NH2+]CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000592427737 400648860 /nfs/dbraw/zinc/64/88/60/400648860.db2.gz WKCKTDJNMYJFSF-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@H](C)CC)cc1[N+](=O)[O-] ZINC000592395531 400644845 /nfs/dbraw/zinc/64/48/45/400644845.db2.gz CTLAQKGSFVSJKG-VNHYZAJKSA-N 1 0 324.421 3.441 20 5 DGBDRO Cc1cccc2nc(CC[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cn21 ZINC000592404352 400647125 /nfs/dbraw/zinc/64/71/25/400647125.db2.gz RDDWTNIWCCMONC-AWEZNQCLSA-N 1 0 324.384 3.444 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000597665040 400657600 /nfs/dbraw/zinc/65/76/00/400657600.db2.gz DFKWWHJEHVRJSR-BZPMIXESSA-N 1 0 319.405 3.411 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000076685444 400667775 /nfs/dbraw/zinc/66/77/75/400667775.db2.gz VTVIBNHUJVSCHP-INIZCTEOSA-N 1 0 312.373 3.066 20 5 DGBDRO CC(C)[C@@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000603845644 400723212 /nfs/dbraw/zinc/72/32/12/400723212.db2.gz CTNLPSGWNGTSTN-OAHLLOKOSA-N 1 0 306.410 3.302 20 5 DGBDRO Cc1cnc(NCCCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078631174 400816144 /nfs/dbraw/zinc/81/61/44/400816144.db2.gz ZJVOTEXFLDCDJR-ZDUSSCGKSA-N 1 0 306.410 3.222 20 5 DGBDRO O=C(C[NH2+]C1(C2CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593082802 400757217 /nfs/dbraw/zinc/75/72/17/400757217.db2.gz XKVRIICZTUSNOA-UHFFFAOYSA-N 1 0 323.780 3.109 20 5 DGBDRO C[C@@H](CO)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000593085830 400758236 /nfs/dbraw/zinc/75/82/36/400758236.db2.gz YCXHFFLNIBDAOO-NSHDSACASA-N 1 0 312.797 3.089 20 5 DGBDRO C[C@H](O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000170691670 400769105 /nfs/dbraw/zinc/76/91/05/400769105.db2.gz BRUKVULCILNTHN-AWEZNQCLSA-N 1 0 306.406 3.153 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2cccnc2[N+](=O)[O-])c1 ZINC000604432882 400775885 /nfs/dbraw/zinc/77/58/85/400775885.db2.gz UYQXEZVIKMNWBG-UHFFFAOYSA-N 1 0 300.362 3.054 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000053573754 400792346 /nfs/dbraw/zinc/79/23/46/400792346.db2.gz KBRBVUMWASJCTI-QLFBSQMISA-N 1 0 303.406 3.436 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000053898846 400802042 /nfs/dbraw/zinc/80/20/42/400802042.db2.gz OLMZBSDKEWZQOV-GFCCVEGCSA-N 1 0 305.378 3.106 20 5 DGBDRO CC(C)O[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000593660329 400888086 /nfs/dbraw/zinc/88/80/86/400888086.db2.gz PCTOEERZAVGYLV-KQQSKNTNSA-N 1 0 304.390 3.497 20 5 DGBDRO CC1CC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598649041 400850294 /nfs/dbraw/zinc/85/02/94/400850294.db2.gz WBSGBOYJVDGWIB-UHFFFAOYSA-N 1 0 300.305 3.332 20 5 DGBDRO Cc1occc1C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055055258 400850452 /nfs/dbraw/zinc/85/04/52/400850452.db2.gz NDRNONPPJKUHMI-UHFFFAOYSA-N 1 0 304.346 3.397 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000599056624 400941238 /nfs/dbraw/zinc/94/12/38/400941238.db2.gz KUKBYSQPRLUFBZ-KBPBESRZSA-N 1 0 322.405 3.461 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@@H]1CCCOC1)C1CC1 ZINC000599056066 400941246 /nfs/dbraw/zinc/94/12/46/400941246.db2.gz JFXNUCHLRPVSEB-WMLDXEAASA-N 1 0 318.417 3.322 20 5 DGBDRO COCC1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCC1 ZINC000599075117 400951913 /nfs/dbraw/zinc/95/19/13/400951913.db2.gz TYVAKSIWBIDHDS-UHFFFAOYSA-N 1 0 301.346 3.372 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1ccsc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619746184 400897626 /nfs/dbraw/zinc/89/76/26/400897626.db2.gz BJEMYYUMXDWAGG-QWRGUYRKSA-N 1 0 319.386 3.334 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)COCC2CC2)cc1[N+](=O)[O-] ZINC000593718140 400899071 /nfs/dbraw/zinc/89/90/71/400899071.db2.gz LOIVDGWWVIEQCH-OLZOCXBDSA-N 1 0 322.405 3.459 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CC3(CCC3)C2)n1 ZINC000593722175 400899298 /nfs/dbraw/zinc/89/92/98/400899298.db2.gz VFWFUJGCJQXTSW-UONOGXRCSA-N 1 0 304.394 3.197 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000598986966 400921015 /nfs/dbraw/zinc/92/10/15/400921015.db2.gz FUMSJCSHBPZGAK-FRRDWIJNSA-N 1 0 320.389 3.138 20 5 DGBDRO Cc1cccc2c1C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)CO2 ZINC000598986732 400921087 /nfs/dbraw/zinc/92/10/87/400921087.db2.gz MVZSHXGBMNSNQS-LBPRGKRZSA-N 1 0 304.371 3.058 20 5 DGBDRO COc1cccc([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)OC)c1 ZINC000598987936 400922108 /nfs/dbraw/zinc/92/21/08/400922108.db2.gz MQMFBVRACDPRIU-KRWDZBQOSA-N 1 0 316.357 3.081 20 5 DGBDRO COc1cccc([C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)OC)c1 ZINC000598988455 400922210 /nfs/dbraw/zinc/92/22/10/400922210.db2.gz RLEBIKMHDJTXTO-AWEZNQCLSA-N 1 0 322.386 3.142 20 5 DGBDRO COc1cc(C[NH2+]CC[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1O ZINC000598998546 400924318 /nfs/dbraw/zinc/92/43/18/400924318.db2.gz BQQWWAOUOWMRJV-GFCCVEGCSA-N 1 0 306.362 3.145 20 5 DGBDRO CC(C)[NH+]1CCC(Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599019763 400928120 /nfs/dbraw/zinc/92/81/20/400928120.db2.gz FZGJYYQZMQDCQC-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc2cnccc21 ZINC000599023283 400930031 /nfs/dbraw/zinc/93/00/31/400930031.db2.gz DNQBOUDNYDFZDT-KGLIPLIRSA-N 1 0 312.373 3.182 20 5 DGBDRO C[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000599023801 400930662 /nfs/dbraw/zinc/93/06/62/400930662.db2.gz LREVBSUNAZWCCR-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599036863 400934580 /nfs/dbraw/zinc/93/45/80/400934580.db2.gz XBPLLOILXRYBKV-AWEZNQCLSA-N 1 0 314.389 3.110 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3scnc32)c1 ZINC000599041102 400935866 /nfs/dbraw/zinc/93/58/66/400935866.db2.gz KMYNHESOUXPOCZ-CYBMUJFWSA-N 1 0 303.387 3.261 20 5 DGBDRO CC(=O)c1ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165208 400982177 /nfs/dbraw/zinc/98/21/77/400982177.db2.gz NPNWTEQXGZXBMQ-OAHLLOKOSA-N 1 0 317.389 3.226 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc[nH]c2=O)c2cc([N+](=O)[O-])ccc21 ZINC000599086947 400957065 /nfs/dbraw/zinc/95/70/65/400957065.db2.gz CRXABNUCVPUDLX-OAHLLOKOSA-N 1 0 313.357 3.208 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000599090286 400957095 /nfs/dbraw/zinc/95/70/95/400957095.db2.gz CODMRWQIBPPTJE-SGMGOOAPSA-N 1 0 308.378 3.069 20 5 DGBDRO CCOC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000594050374 400964958 /nfs/dbraw/zinc/96/49/58/400964958.db2.gz FFDURGBVHSVQCC-UHFFFAOYSA-N 1 0 308.378 3.067 20 5 DGBDRO COc1cc(NC[C@H]2CC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000599127032 400970259 /nfs/dbraw/zinc/97/02/59/400970259.db2.gz MJIHJCCKBTUGLQ-OAHLLOKOSA-N 1 0 319.405 3.422 20 5 DGBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000599139478 400973312 /nfs/dbraw/zinc/97/33/12/400973312.db2.gz OQAYUDJEVFQBHO-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000080676971 400977784 /nfs/dbraw/zinc/97/77/84/400977784.db2.gz DQRFMIQWQFKTBO-CQSZACIVSA-N 1 0 320.780 3.358 20 5 DGBDRO C[C@@H]1C[NH+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1(F)F ZINC000599511897 401062753 /nfs/dbraw/zinc/06/27/53/401062753.db2.gz CUWFGPNEOZDZJJ-VXGBXAGGSA-N 1 0 314.332 3.197 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000594504673 401084688 /nfs/dbraw/zinc/08/46/88/401084688.db2.gz RSRXMHQTQJOWPM-INIZCTEOSA-N 1 0 322.368 3.291 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599551855 401073972 /nfs/dbraw/zinc/07/39/72/401073972.db2.gz BVVGIWBFRDIZGK-KGLIPLIRSA-N 1 0 308.403 3.073 20 5 DGBDRO CC[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCC1 ZINC000594493843 401078004 /nfs/dbraw/zinc/07/80/04/401078004.db2.gz NJXFDILRPXPGAQ-XJKSGUPXSA-N 1 0 303.406 3.046 20 5 DGBDRO CCC1(O)CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594500657 401080647 /nfs/dbraw/zinc/08/06/47/401080647.db2.gz APFLBVOMNSREER-VXKCQOAXSA-N 1 0 304.390 3.255 20 5 DGBDRO CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594503110 401082412 /nfs/dbraw/zinc/08/24/12/401082412.db2.gz SPAWXSALKHMRGQ-QZTJIDSGSA-N 1 0 323.396 3.358 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CC2)CC1 ZINC000599673059 401108128 /nfs/dbraw/zinc/10/81/28/401108128.db2.gz LSIFEYURCIZSFT-ZDUSSCGKSA-N 1 0 317.389 3.188 20 5 DGBDRO COc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594596476 401122420 /nfs/dbraw/zinc/12/24/20/401122420.db2.gz ACMKGGNNFSWDCR-ZIAGYGMSSA-N 1 0 305.378 3.032 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599626994 401095742 /nfs/dbraw/zinc/09/57/42/401095742.db2.gz UERPGYALWNNMOA-MRHIQRDNSA-N 1 0 322.405 3.284 20 5 DGBDRO C[NH+](C)CCc1ccc(CNc2ccc([N+](=O)[O-])s2)cc1 ZINC000615525947 401097298 /nfs/dbraw/zinc/09/72/98/401097298.db2.gz HRGIXEPGQNXEIU-UHFFFAOYSA-N 1 0 305.403 3.373 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594521249 401099100 /nfs/dbraw/zinc/09/91/00/401099100.db2.gz STYGJTLTHPLQQL-HOTGVXAUSA-N 1 0 303.406 3.010 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cccc(C)n1 ZINC000280683834 401152444 /nfs/dbraw/zinc/15/24/44/401152444.db2.gz VCKDRYZLWOXGLD-UHFFFAOYSA-N 1 0 315.373 3.029 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000358259047 286013342 /nfs/dbraw/zinc/01/33/42/286013342.db2.gz UELDQXMUKFJOIC-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCc2ccccc21 ZINC000358272458 286017382 /nfs/dbraw/zinc/01/73/82/286017382.db2.gz YQIXIEMZWADZLG-INIZCTEOSA-N 1 0 314.389 3.191 20 5 DGBDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000358315950 286029557 /nfs/dbraw/zinc/02/95/57/286029557.db2.gz IAOSIUOPQWWNMQ-QGZVFWFLSA-N 1 0 316.405 3.477 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccnn1CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000594925122 401193023 /nfs/dbraw/zinc/19/30/23/401193023.db2.gz KTHKSULYEHOHTC-GFCCVEGCSA-N 1 0 300.362 3.052 20 5 DGBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000600169460 401207353 /nfs/dbraw/zinc/20/73/53/401207353.db2.gz UCSBVBAVAKINJT-CYBMUJFWSA-N 1 0 318.373 3.448 20 5 DGBDRO COc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595002878 401225485 /nfs/dbraw/zinc/22/54/85/401225485.db2.gz AJJWONRDAIGJLB-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(C)COC1 ZINC000600192169 401216913 /nfs/dbraw/zinc/21/69/13/401216913.db2.gz SYJYKTPPRNICPU-UHFFFAOYSA-N 1 0 316.357 3.323 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)cs1 ZINC000594999131 401223942 /nfs/dbraw/zinc/22/39/42/401223942.db2.gz NJWGOACOLPYZGU-OAHLLOKOSA-N 1 0 317.414 3.020 20 5 DGBDRO CCC[C@@H]([NH2+]CC1(OC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090650089 401270448 /nfs/dbraw/zinc/27/04/48/401270448.db2.gz WQMGPMAHZYZWDR-MRXNPFEDSA-N 1 0 322.405 3.221 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000065946387 401285867 /nfs/dbraw/zinc/28/58/67/401285867.db2.gz MHWSSZGWGCEBDZ-UHFFFAOYSA-N 1 0 318.421 3.446 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000595010602 401229966 /nfs/dbraw/zinc/22/99/66/401229966.db2.gz CONZJPKTDRIJIW-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C1CC1)C1CCCC1 ZINC000064808068 401250988 /nfs/dbraw/zinc/25/09/88/401250988.db2.gz RDFDEBVZAXAASP-UHFFFAOYSA-N 1 0 317.389 3.249 20 5 DGBDRO COc1cccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000065208523 401260823 /nfs/dbraw/zinc/26/08/23/401260823.db2.gz ZYNAOFHVAHCQFP-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO CC(C)C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000065962213 401288444 /nfs/dbraw/zinc/28/84/44/401288444.db2.gz YGNUPFPFCKUONT-LLVKDONJSA-N 1 0 304.350 3.294 20 5 DGBDRO Cc1cccc(NCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000358411472 286054566 /nfs/dbraw/zinc/05/45/66/286054566.db2.gz YUXLFVGFEVRPDP-CYBMUJFWSA-N 1 0 300.362 3.061 20 5 DGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000286559565 286127492 /nfs/dbraw/zinc/12/74/92/286127492.db2.gz PAPPDEPXGPMKMN-RLTXXFFMSA-N 1 0 322.792 3.103 20 5 DGBDRO CCC(=O)c1ccc(NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000358945951 286194567 /nfs/dbraw/zinc/19/45/67/286194567.db2.gz HALPDKKONIDEPP-CYBMUJFWSA-N 1 0 319.405 3.331 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(C(=O)CC)cc2[N+](=O)[O-])C1 ZINC000358932181 286190987 /nfs/dbraw/zinc/19/09/87/286190987.db2.gz KOORYIZAHGLFFA-CYBMUJFWSA-N 1 0 319.405 3.331 20 5 DGBDRO CCC[C@H]([NH2+]CCN1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000359042092 286222095 /nfs/dbraw/zinc/22/20/95/286222095.db2.gz BDITUAZNXIDDPP-KRWDZBQOSA-N 1 0 303.406 3.288 20 5 DGBDRO C[C@H](C[NH+]1CCCCCC1)NCc1ccc([N+](=O)[O-])cc1F ZINC000359144938 286247704 /nfs/dbraw/zinc/24/77/04/286247704.db2.gz PHDFVIXSFWYHEO-CYBMUJFWSA-N 1 0 309.385 3.088 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1CC ZINC000359462467 286313440 /nfs/dbraw/zinc/31/34/40/286313440.db2.gz WKVBRSRVZSVXMO-CQSZACIVSA-N 1 0 323.441 3.186 20 5 DGBDRO Cc1ccc2ncc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)n2c1 ZINC000359789556 286380756 /nfs/dbraw/zinc/38/07/56/286380756.db2.gz ACAYDHZLXPFZNE-UHFFFAOYSA-N 1 0 310.357 3.149 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332198019 292296976 /nfs/dbraw/zinc/29/69/76/292296976.db2.gz HOEBVSRXNFYQJE-AYDFFVQHSA-N 1 0 304.390 3.057 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)Cc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000360862469 286543888 /nfs/dbraw/zinc/54/38/88/286543888.db2.gz VWDGWRPYRYOCHT-LRDDRELGSA-N 1 0 300.362 3.057 20 5 DGBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000361856603 286735425 /nfs/dbraw/zinc/73/54/25/286735425.db2.gz RIUAULVVCIYVDH-ZDUSSCGKSA-N 1 0 322.409 3.063 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCC[NH+](C(C)C)C(C)C ZINC000174951397 164743786 /nfs/dbraw/zinc/74/37/86/164743786.db2.gz CZELCFJGSSSNRM-UHFFFAOYSA-N 1 0 309.410 3.272 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178651684 164844714 /nfs/dbraw/zinc/84/47/14/164844714.db2.gz MPVHTDITBMFELK-LLVKDONJSA-N 1 0 317.320 3.023 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CC2CCC2)c2ccccc2)n1 ZINC000181355518 164911026 /nfs/dbraw/zinc/91/10/26/164911026.db2.gz HPHFZPGTIARDEK-INIZCTEOSA-N 1 0 314.389 3.312 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186435793 165043839 /nfs/dbraw/zinc/04/38/39/165043839.db2.gz QRBYITFSBAHRSB-SFHVURJKSA-N 1 0 310.353 3.226 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000187959788 165107559 /nfs/dbraw/zinc/10/75/59/165107559.db2.gz JFCOXBLRWACAEB-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000261878167 165759471 /nfs/dbraw/zinc/75/94/71/165759471.db2.gz VZEPZLJVJFDIDT-QMMMGPOBSA-N 1 0 318.358 3.010 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000330434450 287152641 /nfs/dbraw/zinc/15/26/41/287152641.db2.gz AJNXFIOPNFTRRG-DZGCQCFKSA-N 1 0 304.390 3.404 20 5 DGBDRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000182127972 432161454 /nfs/dbraw/zinc/16/14/54/432161454.db2.gz MCUIWKHILPPKEG-LBPRGKRZSA-N 1 0 313.357 3.404 20 5 DGBDRO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246815108 432169042 /nfs/dbraw/zinc/16/90/42/432169042.db2.gz AHBOQDNGKDTEAZ-MJBXVCDLSA-N 1 0 321.421 3.247 20 5 DGBDRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000150738132 432189500 /nfs/dbraw/zinc/18/95/00/432189500.db2.gz GTEGFJLVOKPCMC-CQSZACIVSA-N 1 0 319.405 3.496 20 5 DGBDRO C[C@H](c1ccco1)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269660667 432193436 /nfs/dbraw/zinc/19/34/36/432193436.db2.gz QBMMGWZGWDRJKE-MLGOLLRUSA-N 1 0 316.357 3.447 20 5 DGBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247053372 432195673 /nfs/dbraw/zinc/19/56/73/432195673.db2.gz MGYQKRWZBVSFDW-YRNSVEHJSA-N 1 0 324.446 3.325 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000247098179 432201243 /nfs/dbraw/zinc/20/12/43/432201243.db2.gz PXDBTDDYQQRRES-HUUCEWRRSA-N 1 0 305.422 3.286 20 5 DGBDRO C[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269708885 432201384 /nfs/dbraw/zinc/20/13/84/432201384.db2.gz ORVSUTDLQSPZAM-IAQYHMDHSA-N 1 0 318.398 3.309 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000130600412 196094227 /nfs/dbraw/zinc/09/42/27/196094227.db2.gz WWDABHMAISZSQO-CQSZACIVSA-N 1 0 324.384 3.444 20 5 DGBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000130683541 196101243 /nfs/dbraw/zinc/10/12/43/196101243.db2.gz XNIXLHRLTIVYIM-MRXNPFEDSA-N 1 0 314.389 3.314 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000151049086 432214567 /nfs/dbraw/zinc/21/45/67/432214567.db2.gz KBTMNXNUQBXFBL-LLVKDONJSA-N 1 0 321.764 3.373 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000269982443 432225923 /nfs/dbraw/zinc/22/59/23/432225923.db2.gz CYKPISNRQJOPEU-XJNFMUPTSA-N 1 0 318.417 3.321 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000131440079 196169215 /nfs/dbraw/zinc/16/92/15/196169215.db2.gz FPXWDWFCLDFELP-AWEZNQCLSA-N 1 0 316.405 3.341 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000247267395 432216973 /nfs/dbraw/zinc/21/69/73/432216973.db2.gz ZQFWVUOKDVKOKE-RCCFBDPRSA-N 1 0 312.369 3.294 20 5 DGBDRO C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262466497 287602813 /nfs/dbraw/zinc/60/28/13/287602813.db2.gz IYENZFPMJHZVER-ZJUUUORDSA-N 1 0 317.311 3.035 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413165986 230144085 /nfs/dbraw/zinc/14/40/85/230144085.db2.gz FJJZSZJMUBUPQC-STQMWFEESA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C[N@@H+]1C1CC1 ZINC000413181426 230148029 /nfs/dbraw/zinc/14/80/29/230148029.db2.gz FIAQQNKWUVNVKJ-NWDGAFQWSA-N 1 0 312.373 3.180 20 5 DGBDRO Cc1cc(NCC(C)(C)[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000302534058 230286635 /nfs/dbraw/zinc/28/66/35/230286635.db2.gz GDJLMOROELSPOC-UHFFFAOYSA-N 1 0 302.378 3.204 20 5 DGBDRO Cc1cc(N[C@@H]2C[C@H](O)C2(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302543862 230291018 /nfs/dbraw/zinc/29/10/18/230291018.db2.gz UFJXHEMXKOMWPK-CABCVRRESA-N 1 0 301.346 3.023 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCCC1 ZINC000186479432 263658488 /nfs/dbraw/zinc/65/84/88/263658488.db2.gz WPEWRMBCVVVTHP-AWEZNQCLSA-N 1 0 306.406 3.058 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000321153658 263901658 /nfs/dbraw/zinc/90/16/58/263901658.db2.gz GHNCRUYJWNQKLB-IAGOWNOFSA-N 1 0 318.417 3.465 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000346379903 264021606 /nfs/dbraw/zinc/02/16/06/264021606.db2.gz DIUBANQOMKKNNZ-CYBMUJFWSA-N 1 0 322.405 3.480 20 5 DGBDRO CCc1ccc([C@@H]([NH2+]CC[C@H](C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346568492 264056333 /nfs/dbraw/zinc/05/63/33/264056333.db2.gz TYZFHECKPLJLFQ-SJCJKPOMSA-N 1 0 318.373 3.200 20 5 DGBDRO C[C@H]1[NH2+]CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000346691478 264080188 /nfs/dbraw/zinc/08/01/88/264080188.db2.gz VZMCLLARNSMUQP-OLZOCXBDSA-N 1 0 315.373 3.037 20 5 DGBDRO CCC[C@H]([NH2+]Cc1cnc(C)[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000346803172 264100051 /nfs/dbraw/zinc/10/00/51/264100051.db2.gz FEFMOIYAXURVML-HNNXBMFYSA-N 1 0 316.361 3.030 20 5 DGBDRO C[C@@H](CO)[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000347174431 264169604 /nfs/dbraw/zinc/16/96/04/264169604.db2.gz UFSUKDXDZREUPE-NSHDSACASA-N 1 0 312.797 3.374 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CNc1c[nH+]ccc1-n1cccn1 ZINC000348143674 264351841 /nfs/dbraw/zinc/35/18/41/264351841.db2.gz QAISJBAGMIMTPO-ZZXKWVIFSA-N 1 0 321.340 3.301 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000350478740 264624327 /nfs/dbraw/zinc/62/43/27/264624327.db2.gz NGSFQKBXQMESFW-LRDDRELGSA-N 1 0 302.378 3.000 20 5 DGBDRO Cc1sccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351641356 264760583 /nfs/dbraw/zinc/76/05/83/264760583.db2.gz NSAJRZHZHYHKML-CYBMUJFWSA-N 1 0 318.402 3.046 20 5 DGBDRO Cc1ccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000352382998 265025974 /nfs/dbraw/zinc/02/59/74/265025974.db2.gz IKFZJZVJYAETLL-QGZVFWFLSA-N 1 0 317.433 3.354 20 5 DGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352799474 265171627 /nfs/dbraw/zinc/17/16/27/265171627.db2.gz YOIJHIBWDVYMNU-SWLSCSKDSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1cc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)on1 ZINC000353083705 265292225 /nfs/dbraw/zinc/29/22/25/265292225.db2.gz HETCFKXYNMBDBM-UHFFFAOYSA-N 1 0 303.362 3.347 20 5 DGBDRO CCn1cc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cn1 ZINC000353092922 265294209 /nfs/dbraw/zinc/29/42/09/265294209.db2.gz FYPOUIBPIOVDRS-QPEQYQDCSA-N 1 0 300.362 3.004 20 5 DGBDRO COCC1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000353154860 265320794 /nfs/dbraw/zinc/32/07/94/265320794.db2.gz PFGXKZLVWDDZKX-UHFFFAOYSA-N 1 0 322.405 3.290 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCc3c[nH+]ccc32)c(Br)c1 ZINC000354165138 265686624 /nfs/dbraw/zinc/68/66/24/265686624.db2.gz SEHLQSARDUEOHX-UHFFFAOYSA-N 1 0 320.146 3.447 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1CO ZINC000191180554 432229905 /nfs/dbraw/zinc/22/99/05/432229905.db2.gz MWJZQEXLMWECNH-MLGOLLRUSA-N 1 0 316.357 3.058 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000355599138 266127917 /nfs/dbraw/zinc/12/79/17/266127917.db2.gz BQXCMNUGVXJEEQ-VXGBXAGGSA-N 1 0 308.378 3.138 20 5 DGBDRO Cc1cc(N2CCC([NH+]3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000359870478 271004249 /nfs/dbraw/zinc/00/42/49/271004249.db2.gz FIVPYAZXYCNPMG-UHFFFAOYSA-N 1 0 307.369 3.107 20 5 DGBDRO Cc1cc(NC[C@H]2CC[N@@H+](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359907526 271015842 /nfs/dbraw/zinc/01/58/42/271015842.db2.gz WPKSZIDRTWABEG-SNVBAGLBSA-N 1 0 317.311 3.286 20 5 DGBDRO CC(C)c1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000369867754 271325941 /nfs/dbraw/zinc/32/59/41/271325941.db2.gz LTMZJZNOVBSDPY-CQSZACIVSA-N 1 0 304.390 3.187 20 5 DGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000183035596 432252385 /nfs/dbraw/zinc/25/23/85/432252385.db2.gz BMJFCPSILLIMLX-MNOVXSKESA-N 1 0 304.350 3.169 20 5 DGBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000190897916 273610016 /nfs/dbraw/zinc/61/00/16/273610016.db2.gz CKJZPAGVOIOLEP-UHFFFAOYSA-N 1 0 322.409 3.099 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000270540089 432256995 /nfs/dbraw/zinc/25/69/95/432256995.db2.gz XKFRMGBCSASLJG-UAGQMJEPSA-N 1 0 316.401 3.075 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000078617745 273816404 /nfs/dbraw/zinc/81/64/04/273816404.db2.gz LZLCNZFNQIBSFN-NSHDSACASA-N 1 0 317.311 3.144 20 5 DGBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000429573255 274311484 /nfs/dbraw/zinc/31/14/84/274311484.db2.gz YSYISLOUCSKUQQ-BXUZGUMPSA-N 1 0 306.362 3.082 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COc2ccccc2C1 ZINC000449099697 274498798 /nfs/dbraw/zinc/49/87/98/274498798.db2.gz OROKRZHRNPYOIP-CJNGLKHVSA-N 1 0 312.369 3.119 20 5 DGBDRO Cc1nccn1CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309527 274861616 /nfs/dbraw/zinc/86/16/16/274861616.db2.gz FARQJADFWIJAJJ-KRWDZBQOSA-N 1 0 314.389 3.157 20 5 DGBDRO Cc1nccn1CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433171828 274861637 /nfs/dbraw/zinc/86/16/37/274861637.db2.gz BKHFCMUGBRWTMP-INIZCTEOSA-N 1 0 314.389 3.112 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)c2ccccc2)C2CC2)cc1 ZINC000265453067 275035426 /nfs/dbraw/zinc/03/54/26/275035426.db2.gz XAHFTFAGWFWYIQ-SFHVURJKSA-N 1 0 312.369 3.293 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cscn1)CCC2 ZINC000192966076 275037816 /nfs/dbraw/zinc/03/78/16/275037816.db2.gz GUECBUZERKGSAE-HNNXBMFYSA-N 1 0 303.387 3.261 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)CCC2 ZINC000192891857 275037819 /nfs/dbraw/zinc/03/78/19/275037819.db2.gz FDLKURAXZXBMOG-COXVUDFISA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000278222881 275038514 /nfs/dbraw/zinc/03/85/14/275038514.db2.gz JFVSQYDKXNJGFC-KZNAEPCWSA-N 1 0 315.417 3.189 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186450159 275039171 /nfs/dbraw/zinc/03/91/71/275039171.db2.gz NEKWPAKPHQNCBV-GOSISDBHSA-N 1 0 310.353 3.226 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCC1CCOCC1)C1CC1 ZINC000483130456 275040131 /nfs/dbraw/zinc/04/01/31/275040131.db2.gz WVCROAYHLUTQGS-QGZVFWFLSA-N 1 0 318.417 3.322 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000286904518 275040138 /nfs/dbraw/zinc/04/01/38/275040138.db2.gz DRHMFRLWAFRCSX-DOTOQJQBSA-N 1 0 316.401 3.242 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000279099464 275861078 /nfs/dbraw/zinc/86/10/78/275861078.db2.gz OFEHTWBWNBOGGE-MLGOLLRUSA-N 1 0 304.390 3.333 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000451479351 275890365 /nfs/dbraw/zinc/89/03/65/275890365.db2.gz MRBWZPZYZBAIJR-COLVAYQJSA-N 1 0 308.353 3.027 20 5 DGBDRO CCC[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000090453656 276026160 /nfs/dbraw/zinc/02/61/60/276026160.db2.gz NAIUAXKDIIISOP-GOEBONIOSA-N 1 0 314.389 3.306 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000301226722 276158173 /nfs/dbraw/zinc/15/81/73/276158173.db2.gz BZAUXHHPORGQSY-CQSZACIVSA-N 1 0 305.378 3.084 20 5 DGBDRO CO[C@@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000272792369 277645868 /nfs/dbraw/zinc/64/58/68/277645868.db2.gz CKGYLCXTQYLWAJ-CYBMUJFWSA-N 1 0 301.346 3.067 20 5 DGBDRO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000331969048 278049873 /nfs/dbraw/zinc/04/98/73/278049873.db2.gz JMMUVHDSTRIYFI-IUIKQTSFSA-N 1 0 303.406 3.047 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429363335 278312818 /nfs/dbraw/zinc/31/28/18/278312818.db2.gz COZDRVQJQRWBAE-HUUCEWRRSA-N 1 0 317.433 3.462 20 5 DGBDRO C[C@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262466495 278370035 /nfs/dbraw/zinc/37/00/35/278370035.db2.gz IYENZFPMJHZVER-VHSXEESVSA-N 1 0 317.311 3.035 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000131038789 278374033 /nfs/dbraw/zinc/37/40/33/278374033.db2.gz VEGSTGZMLNHVNU-XNRPHZJLSA-N 1 0 322.430 3.300 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293270851 278384285 /nfs/dbraw/zinc/38/42/85/278384285.db2.gz CILORZMACPLFJM-YGRLFVJLSA-N 1 0 301.346 3.498 20 5 DGBDRO Cc1nnsc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417354087 279244954 /nfs/dbraw/zinc/24/49/54/279244954.db2.gz YTZYFPVHSVPYNL-CQSZACIVSA-N 1 0 318.402 3.312 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000068836821 431144842 /nfs/dbraw/zinc/14/48/42/431144842.db2.gz HGDPTXGIADZPLO-HNNXBMFYSA-N 1 0 315.348 3.420 20 5 DGBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000074336986 431415702 /nfs/dbraw/zinc/41/57/02/431415702.db2.gz HUJJAAACDPOWPE-GFCCVEGCSA-N 1 0 313.357 3.404 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000009997896 431453039 /nfs/dbraw/zinc/45/30/39/431453039.db2.gz URBQVTXLUZTKRD-STQMWFEESA-N 1 0 305.378 3.105 20 5 DGBDRO COc1ccc(C[N@@H+]2CCS[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000076066829 431521782 /nfs/dbraw/zinc/52/17/82/431521782.db2.gz OMIUIZGLAFHJEX-HNNXBMFYSA-N 1 0 310.419 3.177 20 5 DGBDRO CC[C@@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000075999236 431513836 /nfs/dbraw/zinc/51/38/36/431513836.db2.gz HTOONKAUOAFYNF-KRWDZBQOSA-N 1 0 320.389 3.473 20 5 DGBDRO Cn1c2ccccc2nc1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000076901125 431565244 /nfs/dbraw/zinc/56/52/44/431565244.db2.gz SHHQOHXPBXBRRO-UHFFFAOYSA-N 1 0 324.384 3.204 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C1 ZINC000077318820 431581699 /nfs/dbraw/zinc/58/16/99/431581699.db2.gz HIFCBHZJUGZYCA-VXGBXAGGSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000118850125 431624251 /nfs/dbraw/zinc/62/42/51/431624251.db2.gz YFDGLQJLNRAPAO-NFAWXSAZSA-N 1 0 317.389 3.186 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CCC(C)CC1 ZINC000078395326 431666340 /nfs/dbraw/zinc/66/63/40/431666340.db2.gz GYBOEKLDFWTXCE-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H]1CCC[C@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000026476953 431676631 /nfs/dbraw/zinc/67/66/31/431676631.db2.gz NEHPPDBJGCMINC-BBRMVZONSA-N 1 0 319.405 3.068 20 5 DGBDRO CCC[NH+](CCC)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000027269811 431687800 /nfs/dbraw/zinc/68/78/00/431687800.db2.gz YSCACHIZZLQESQ-UHFFFAOYSA-N 1 0 323.393 3.054 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000330654995 288245819 /nfs/dbraw/zinc/24/58/19/288245819.db2.gz MHONSHHZTGGOTO-STQMWFEESA-N 1 0 305.378 3.105 20 5 DGBDRO Cc1cc(N2CC[C@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302066019 280579653 /nfs/dbraw/zinc/57/96/53/280579653.db2.gz FDYRLYRTOLFBEW-KRWDZBQOSA-N 1 0 313.357 3.068 20 5 DGBDRO CC(C)c1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000422898864 280590654 /nfs/dbraw/zinc/59/06/54/280590654.db2.gz NBOCQIZCWIKNFS-HNNXBMFYSA-N 1 0 321.421 3.164 20 5 DGBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000035084597 431824968 /nfs/dbraw/zinc/82/49/68/431824968.db2.gz FXKCOJNUQYGTDO-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO Cc1ccc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000093863898 431919004 /nfs/dbraw/zinc/91/90/04/431919004.db2.gz ZLQAASSMVXWPOF-HNNXBMFYSA-N 1 0 314.389 3.146 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH+]1CCCC1 ZINC000048322168 431922929 /nfs/dbraw/zinc/92/29/29/431922929.db2.gz MKQMPHMGXPQIND-UHFFFAOYSA-N 1 0 303.284 3.121 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000125381294 431923128 /nfs/dbraw/zinc/92/31/28/431923128.db2.gz KVGZLWIAFXHABK-OLZOCXBDSA-N 1 0 320.389 3.472 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089883463 431883759 /nfs/dbraw/zinc/88/37/59/431883759.db2.gz RKXLVANFCNNCSG-LBPRGKRZSA-N 1 0 301.346 3.482 20 5 DGBDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559528 431892505 /nfs/dbraw/zinc/89/25/05/431892505.db2.gz NGBVZWZOCMLAGQ-HNNXBMFYSA-N 1 0 321.421 3.047 20 5 DGBDRO C[C@H](O)CC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127665519 431977164 /nfs/dbraw/zinc/97/71/64/431977164.db2.gz XFKDZJVWJHPAKY-LBPRGKRZSA-N 1 0 304.346 3.058 20 5 DGBDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000127678838 431977968 /nfs/dbraw/zinc/97/79/68/431977968.db2.gz OXFIBGPOBCEPFQ-GFCCVEGCSA-N 1 0 304.346 3.058 20 5 DGBDRO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000125624625 431931638 /nfs/dbraw/zinc/93/16/38/431931638.db2.gz JRPAWHWLCVNQNZ-UHFFFAOYSA-N 1 0 314.389 3.227 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000292001290 281022028 /nfs/dbraw/zinc/02/20/28/281022028.db2.gz XKEXKNIZADJLLC-ZFWWWQNUSA-N 1 0 300.362 3.108 20 5 DGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191560857 432277257 /nfs/dbraw/zinc/27/72/57/432277257.db2.gz XHCMJOMMJLYQQT-WMLDXEAASA-N 1 0 314.385 3.157 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCOCC2)cc1[N+](=O)[O-] ZINC000183346288 432284856 /nfs/dbraw/zinc/28/48/56/432284856.db2.gz QWZDTMHHVFBIAS-TZMCWYRMSA-N 1 0 308.378 3.213 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000183383438 432288059 /nfs/dbraw/zinc/28/80/59/432288059.db2.gz DNTHRYAHTNWDQA-IYOUNJFTSA-N 1 0 314.385 3.410 20 5 DGBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000191655102 432288083 /nfs/dbraw/zinc/28/80/83/432288083.db2.gz JFPBEJSYGIEPPP-QGZVFWFLSA-N 1 0 306.406 3.010 20 5 DGBDRO Cc1cc(C(=O)NCCC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000173612948 432289844 /nfs/dbraw/zinc/28/98/44/432289844.db2.gz OKLBFCHSWPGJNH-UHFFFAOYSA-N 1 0 321.421 3.142 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151971244 432291805 /nfs/dbraw/zinc/29/18/05/432291805.db2.gz UKVGOHOFXIBDSJ-KFWWJZLASA-N 1 0 305.422 3.366 20 5 DGBDRO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000128748930 432000339 /nfs/dbraw/zinc/00/03/39/432000339.db2.gz JPILNUOLTDKAMW-CYBMUJFWSA-N 1 0 319.405 3.084 20 5 DGBDRO CC[C@@H](O)CC[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271074563 432326708 /nfs/dbraw/zinc/32/67/08/432326708.db2.gz GBYQUCYTWLAFER-CHWSQXEVSA-N 1 0 312.435 3.216 20 5 DGBDRO CCOCCCC[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000271133337 432334083 /nfs/dbraw/zinc/33/40/83/432334083.db2.gz MJWKYNRKWFYADB-CYBMUJFWSA-N 1 0 310.394 3.461 20 5 DGBDRO COc1cc(CN2CCS[C@H](C)CC2)c([N+](=O)[O-])cc1F ZINC000192178062 432341138 /nfs/dbraw/zinc/34/11/38/432341138.db2.gz DPQYWCICFFJQBX-SNVBAGLBSA-N 1 0 314.382 3.070 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccco2)cc1[N+](=O)[O-] ZINC000152593802 432342084 /nfs/dbraw/zinc/34/20/84/432342084.db2.gz BHBJFODBNAUWLC-GFCCVEGCSA-N 1 0 304.346 3.480 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccco2)cc1[N+](=O)[O-] ZINC000152593903 432344487 /nfs/dbraw/zinc/34/44/87/432344487.db2.gz BHBJFODBNAUWLC-LBPRGKRZSA-N 1 0 304.346 3.480 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccccc2)C2CCCC2)c1 ZINC000174856441 432374826 /nfs/dbraw/zinc/37/48/26/432374826.db2.gz QPQLFNWOIAYOCH-KRWDZBQOSA-N 1 0 314.389 3.312 20 5 DGBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000184365283 432382562 /nfs/dbraw/zinc/38/25/62/432382562.db2.gz WNLNVJLXQLZTAE-AWEZNQCLSA-N 1 0 321.402 3.479 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c2ncccc12 ZINC000271380392 432384632 /nfs/dbraw/zinc/38/46/32/432384632.db2.gz XFVMODYXIUHGAJ-XJKSGUPXSA-N 1 0 312.373 3.182 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000252663866 432386218 /nfs/dbraw/zinc/38/62/18/432386218.db2.gz JKVGQHSLTMAJRD-JKIFEVAISA-N 1 0 314.389 3.435 20 5 DGBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC(=O)OC(C)(C)C ZINC000255164968 432407363 /nfs/dbraw/zinc/40/73/63/432407363.db2.gz ILMPKJVYFFVOKS-CLFYSBASSA-N 1 0 320.389 3.272 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC(O)(CC)CC)cc1[N+](=O)[O-] ZINC000153387066 432404655 /nfs/dbraw/zinc/40/46/55/432404655.db2.gz VODXILYVVFBBTF-GFCCVEGCSA-N 1 0 310.394 3.195 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2nccs2)cc1[N+](=O)[O-] ZINC000153412190 432405679 /nfs/dbraw/zinc/40/56/79/432405679.db2.gz XYIYSTFSSLTOTL-LLVKDONJSA-N 1 0 321.402 3.343 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000192918699 432428484 /nfs/dbraw/zinc/42/84/84/432428484.db2.gz XAVBPQSUMLVQRA-GFCCVEGCSA-N 1 0 314.341 3.483 20 5 DGBDRO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)CCCC1 ZINC000261605823 432432776 /nfs/dbraw/zinc/43/27/76/432432776.db2.gz ABORFCNWPMCSLZ-UHFFFAOYSA-N 1 0 308.725 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cscn1)CCC2 ZINC000192966060 432435693 /nfs/dbraw/zinc/43/56/93/432435693.db2.gz GUECBUZERKGSAE-OAHLLOKOSA-N 1 0 303.387 3.261 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000271495407 432407942 /nfs/dbraw/zinc/40/79/42/432407942.db2.gz LBVZDKSKRNOZFD-GJZGRUSLSA-N 1 0 300.362 3.436 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000271512901 432411835 /nfs/dbraw/zinc/41/18/35/432411835.db2.gz NIKSNNCCIKJCDP-SGMGOOAPSA-N 1 0 308.378 3.212 20 5 DGBDRO C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192800560 432416616 /nfs/dbraw/zinc/41/66/16/432416616.db2.gz NYUNWYDBTGCJJZ-QWHCGFSZSA-N 1 0 305.378 3.092 20 5 DGBDRO CC(C)(C)[S@@](=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192874717 432423651 /nfs/dbraw/zinc/42/36/51/432423651.db2.gz ABMNDSXQMHZOER-QRQCRPRQSA-N 1 0 324.446 3.109 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)C3CC3)s2)cc1 ZINC000153595567 432423727 /nfs/dbraw/zinc/42/37/27/432423727.db2.gz IBASDLDLHWKVDK-UHFFFAOYSA-N 1 0 318.398 3.280 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000153624046 432425927 /nfs/dbraw/zinc/42/59/27/432425927.db2.gz YMRVYXYHGUNELX-OLZOCXBDSA-N 1 0 321.421 3.127 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CC1 ZINC000185151537 432471982 /nfs/dbraw/zinc/47/19/82/432471982.db2.gz MROLHZYZFVJVNF-UHFFFAOYSA-N 1 0 323.368 3.185 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CC)CCO)cc1[N+](=O)[O-] ZINC000154195833 432481460 /nfs/dbraw/zinc/48/14/60/432481460.db2.gz SEBLTCDOKDQWPX-STQMWFEESA-N 1 0 310.394 3.053 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccccc2Cl)n1 ZINC000176213008 432501835 /nfs/dbraw/zinc/50/18/35/432501835.db2.gz SFTSJKIQPRIUSQ-AWEZNQCLSA-N 1 0 320.780 3.282 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000154021899 432464801 /nfs/dbraw/zinc/46/48/01/432464801.db2.gz DRJMRNOTJCLVJS-OCCSQVGLSA-N 1 0 310.394 3.051 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1[NH3+] ZINC000262041008 432470525 /nfs/dbraw/zinc/47/05/25/432470525.db2.gz PBYBVLMHOABLDL-SMDDNHRTSA-N 1 0 317.414 3.102 20 5 DGBDRO COc1ccccc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000194414723 432549166 /nfs/dbraw/zinc/54/91/66/432549166.db2.gz ZXOSCCZUVGBAOW-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO C[C@]1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000273096064 432550392 /nfs/dbraw/zinc/55/03/92/432550392.db2.gz URXFHNUKQXKNKX-CABCVRRESA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000273099627 432551203 /nfs/dbraw/zinc/55/12/03/432551203.db2.gz OHPZIVKFZZBCJR-LBPRGKRZSA-N 1 0 310.781 3.440 20 5 DGBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000263656951 432563496 /nfs/dbraw/zinc/56/34/96/432563496.db2.gz CXHBXWPZTWMLEK-SFHVURJKSA-N 1 0 312.369 3.341 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CC2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000185805720 432535748 /nfs/dbraw/zinc/53/57/48/432535748.db2.gz CDBNUCMZBHUIDF-UHFFFAOYSA-N 1 0 306.406 3.361 20 5 DGBDRO C[C@]1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273067940 432546965 /nfs/dbraw/zinc/54/69/65/432546965.db2.gz NUQIZQXYKCXXGX-GJZGRUSLSA-N 1 0 310.781 3.295 20 5 DGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000177346791 432614195 /nfs/dbraw/zinc/61/41/95/432614195.db2.gz WUXJQUGLOVYZIE-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186246757 432573338 /nfs/dbraw/zinc/57/33/38/432573338.db2.gz NSQMKFIYLQDCIT-MJBXVCDLSA-N 1 0 322.405 3.093 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000156003375 432586293 /nfs/dbraw/zinc/58/62/93/432586293.db2.gz ZWORPFMIYHHADI-OAHLLOKOSA-N 1 0 305.422 3.286 20 5 DGBDRO Cn1c2ccccc2nc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000177207658 432596869 /nfs/dbraw/zinc/59/68/69/432596869.db2.gz MFWXXMAHSVOHKZ-UHFFFAOYSA-N 1 0 324.384 3.156 20 5 DGBDRO CCN(CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000156573227 432600155 /nfs/dbraw/zinc/60/01/55/432600155.db2.gz PTGJZTFYKLYPEB-KRWDZBQOSA-N 1 0 319.449 3.236 20 5 DGBDRO CC[C@H]([NH2+]CCN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000195600387 432629874 /nfs/dbraw/zinc/62/98/74/432629874.db2.gz UNISYZUMHSUALX-KRWDZBQOSA-N 1 0 305.422 3.367 20 5 DGBDRO COc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000158008815 432635042 /nfs/dbraw/zinc/63/50/42/432635042.db2.gz DEWUXUWVDRFZNP-RYUDHWBXSA-N 1 0 308.378 3.090 20 5 DGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177611608 432641983 /nfs/dbraw/zinc/64/19/83/432641983.db2.gz GLBNIXOSJTZRPZ-CYBMUJFWSA-N 1 0 317.389 3.188 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2SC)cc1[N+](=O)[O-] ZINC000219201509 432662604 /nfs/dbraw/zinc/66/26/04/432662604.db2.gz PKENCBHCGPVTSY-IUODEOHRSA-N 1 0 310.419 3.367 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000265056679 432666321 /nfs/dbraw/zinc/66/63/21/432666321.db2.gz MFZMMZYBRNAQKT-LSDHHAIUSA-N 1 0 318.421 3.081 20 5 DGBDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160064187 432704310 /nfs/dbraw/zinc/70/43/10/432704310.db2.gz TVCNZAULTDSVFP-PBHICJAKSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000227687670 432713545 /nfs/dbraw/zinc/71/35/45/432713545.db2.gz FLRZKQMXVCSDNN-VXGBXAGGSA-N 1 0 323.393 3.159 20 5 DGBDRO C[C@H](CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000265651730 432720338 /nfs/dbraw/zinc/72/03/38/432720338.db2.gz NVHZZZPANCAUGS-LLVKDONJSA-N 1 0 306.387 3.184 20 5 DGBDRO CCC[C@H](CCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230144210 432724287 /nfs/dbraw/zinc/72/42/87/432724287.db2.gz NFXYLQGNZYLAIB-LLVKDONJSA-N 1 0 300.786 3.137 20 5 DGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CC(F)(F)F ZINC000188879455 432751066 /nfs/dbraw/zinc/75/10/66/432751066.db2.gz VIJIIJFJQJCOCR-ZDUSSCGKSA-N 1 0 320.311 3.119 20 5 DGBDRO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178554149 432751505 /nfs/dbraw/zinc/75/15/05/432751505.db2.gz DOTUQKRXYWKEPD-STQMWFEESA-N 1 0 300.358 3.499 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000266518990 432760738 /nfs/dbraw/zinc/76/07/38/432760738.db2.gz HSRBNIFZMOBBNS-HUUCEWRRSA-N 1 0 303.406 3.216 20 5 DGBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000266636139 432774483 /nfs/dbraw/zinc/77/44/83/432774483.db2.gz WBFXWNBYKNRBNP-KRWDZBQOSA-N 1 0 300.358 3.035 20 5 DGBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000189334514 432779420 /nfs/dbraw/zinc/77/94/20/432779420.db2.gz GRWUJOOFTBNLPH-HZPDHXFCSA-N 1 0 316.357 3.104 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000237197600 432779578 /nfs/dbraw/zinc/77/95/78/432779578.db2.gz HKBNYYZTQKSRRM-UHFFFAOYSA-N 1 0 311.341 3.375 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000237204416 432780752 /nfs/dbraw/zinc/78/07/52/432780752.db2.gz YBVRZIZDJJRMPO-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO CCC[C@H](CCO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000231389995 432732469 /nfs/dbraw/zinc/73/24/69/432732469.db2.gz PLUNPBDGQULACI-LLVKDONJSA-N 1 0 300.786 3.137 20 5 DGBDRO C[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245201300 432824892 /nfs/dbraw/zinc/82/48/92/432824892.db2.gz HBDAMDQTGRTRMB-RFQIPJPRSA-N 1 0 319.405 3.033 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276967983 432827648 /nfs/dbraw/zinc/82/76/48/432827648.db2.gz DHRULFOPNJUUEB-AWEZNQCLSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H]1C ZINC000245444579 432831826 /nfs/dbraw/zinc/83/18/26/432831826.db2.gz JTWGGZOIRVTREN-WDEREUQCSA-N 1 0 302.334 3.190 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245466763 432834872 /nfs/dbraw/zinc/83/48/72/432834872.db2.gz ZFKKPMXIHJJQLI-CZUORRHYSA-N 1 0 317.389 3.106 20 5 DGBDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266872746 432792686 /nfs/dbraw/zinc/79/26/86/432792686.db2.gz NLUJCMKVFXQIQK-UWVGGRQHSA-N 1 0 306.284 3.213 20 5 DGBDRO CCC(CC)(CC)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000266877723 432793098 /nfs/dbraw/zinc/79/30/98/432793098.db2.gz UUEDXESKJPUSIK-UHFFFAOYSA-N 1 0 323.393 3.100 20 5 DGBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000237839373 432801164 /nfs/dbraw/zinc/80/11/64/432801164.db2.gz FNUBAXVJXBSVQH-RDTXWAMCSA-N 1 0 319.408 3.245 20 5 DGBDRO CCSc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC000189600626 432803110 /nfs/dbraw/zinc/80/31/10/432803110.db2.gz SLAVLQAYLZMNCG-UHFFFAOYSA-N 1 0 303.387 3.392 20 5 DGBDRO CC(C)N(Cc1c(Cl)cnn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000189667877 432808929 /nfs/dbraw/zinc/80/89/29/432808929.db2.gz HUPMQDYCBVBEAA-UHFFFAOYSA-N 1 0 322.796 3.392 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245521596 432838939 /nfs/dbraw/zinc/83/89/39/432838939.db2.gz KYSJMJIAVXXARN-CABCVRRESA-N 1 0 305.422 3.238 20 5 DGBDRO CC[C@H](COC)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245542298 432841265 /nfs/dbraw/zinc/84/12/65/432841265.db2.gz LFLRRZFJOUJYFR-IMJJTQAJSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000245722826 432858918 /nfs/dbraw/zinc/85/89/18/432858918.db2.gz DMUMUXOINANPEP-OLZOCXBDSA-N 1 0 314.389 3.226 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000296361663 432899873 /nfs/dbraw/zinc/89/98/73/432899873.db2.gz ITFXCVDQDNEEJA-RYUDHWBXSA-N 1 0 310.394 3.194 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2=CCCOC2)cc(C(F)(F)F)c1 ZINC000278852814 432907953 /nfs/dbraw/zinc/90/79/53/432907953.db2.gz XCXDEQBDZNHCDU-UHFFFAOYSA-N 1 0 316.279 3.050 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000330550614 432917268 /nfs/dbraw/zinc/91/72/68/432917268.db2.gz WYSHFETUDLOMNF-WCQYABFASA-N 1 0 305.378 3.010 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330615686 432920625 /nfs/dbraw/zinc/92/06/25/432920625.db2.gz CQNQANAUFXKBOT-AWEZNQCLSA-N 1 0 305.378 3.044 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000332012040 432966125 /nfs/dbraw/zinc/96/61/25/432966125.db2.gz SHPBXSIDBKXZPV-AXAPSJFSSA-N 1 0 304.390 3.210 20 5 DGBDRO CC(C)C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000341179118 432985069 /nfs/dbraw/zinc/98/50/69/432985069.db2.gz IYEPOGOIYULJFA-UHFFFAOYSA-N 1 0 311.813 3.022 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290077431 432988504 /nfs/dbraw/zinc/98/85/04/432988504.db2.gz YTLBCDUKJSCGHX-WCQYABFASA-N 1 0 320.780 3.453 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279303195 432953425 /nfs/dbraw/zinc/95/34/25/432953425.db2.gz QMFGVHAHFLAAIM-CHWSQXEVSA-N 1 0 305.378 3.092 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@@H](O)c2ccccc2)c1 ZINC000289405925 432955888 /nfs/dbraw/zinc/95/58/88/432955888.db2.gz HEXQQQLNRQXXPL-MRXNPFEDSA-N 1 0 320.776 3.462 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000279380715 432962211 /nfs/dbraw/zinc/96/22/11/432962211.db2.gz XUGOQXSNNQHHBQ-AAEUAGOBSA-N 1 0 305.378 3.010 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297841716 433022895 /nfs/dbraw/zinc/02/28/95/433022895.db2.gz KPFKLJJCYKJVFP-GFCCVEGCSA-N 1 0 323.393 3.052 20 5 DGBDRO Cc1cc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n(C)n1 ZINC000341333648 433030667 /nfs/dbraw/zinc/03/06/67/433030667.db2.gz DDZQHZGYDPTOAG-UHFFFAOYSA-N 1 0 302.378 3.050 20 5 DGBDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000280324775 433034704 /nfs/dbraw/zinc/03/47/04/433034704.db2.gz PRWCNDFLJWWYLX-RYUDHWBXSA-N 1 0 322.796 3.227 20 5 DGBDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000341363116 433038930 /nfs/dbraw/zinc/03/89/30/433038930.db2.gz DXUQSJKLKMROEL-UHFFFAOYSA-N 1 0 302.378 3.279 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)(OCC)CC1 ZINC000298260473 433073064 /nfs/dbraw/zinc/07/30/64/433073064.db2.gz MGXGUTMZHICOAH-UHFFFAOYSA-N 1 0 322.405 3.385 20 5 DGBDRO CC[C@](C)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000453309831 433080490 /nfs/dbraw/zinc/08/04/90/433080490.db2.gz XZVHGKBBAFFHAG-DOTOQJQBSA-N 1 0 306.406 3.321 20 5 DGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453332743 433100118 /nfs/dbraw/zinc/10/01/18/433100118.db2.gz VNZVIQAKNRSUOH-NOVWEMISSA-N 1 0 318.417 3.463 20 5 DGBDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000350121564 433084997 /nfs/dbraw/zinc/08/49/97/433084997.db2.gz HWRYZCHBNZAENL-CQSZACIVSA-N 1 0 302.378 3.101 20 5 DGBDRO Cc1ccncc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453325350 433092079 /nfs/dbraw/zinc/09/20/79/433092079.db2.gz MANKKPZEZPYVEE-KRWDZBQOSA-N 1 0 311.385 3.409 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccc3c(c1)CCO3)CC2 ZINC000446734203 433095101 /nfs/dbraw/zinc/09/51/01/433095101.db2.gz CSGUFGIBLJDPMN-UHFFFAOYSA-N 1 0 324.380 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c(F)c1 ZINC000350311267 433129752 /nfs/dbraw/zinc/12/97/52/433129752.db2.gz GYJSNRHIZNXVMR-CYBMUJFWSA-N 1 0 308.353 3.315 20 5 DGBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000420225543 433130896 /nfs/dbraw/zinc/13/08/96/433130896.db2.gz DRSMJJDSIDXSLJ-POZPLHJXSA-N 1 0 316.188 3.075 20 5 DGBDRO C[C@]1(C[NH3+])CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420250480 433133309 /nfs/dbraw/zinc/13/33/09/433133309.db2.gz ZTKDQMWLOSVSAH-GFCCVEGCSA-N 1 0 304.177 3.077 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(CC)COC2)cc1[N+](=O)[O-] ZINC000453390566 433143666 /nfs/dbraw/zinc/14/36/66/433143666.db2.gz YHROUWKXIGJPMW-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420280780 433144142 /nfs/dbraw/zinc/14/41/42/433144142.db2.gz LJFMGZJUHVUHRX-NXEZZACHSA-N 1 0 315.320 3.126 20 5 DGBDRO CC(C)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000298468738 433149891 /nfs/dbraw/zinc/14/98/91/433149891.db2.gz ONRXLRMJAJUFSE-UHFFFAOYSA-N 1 0 308.378 3.328 20 5 DGBDRO C[C@H](CCO)C1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449245920 289494432 /nfs/dbraw/zinc/49/44/32/289494432.db2.gz CUQMNYHCMWQVIV-CABCVRRESA-N 1 0 320.433 3.304 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1SC ZINC000298351733 433104536 /nfs/dbraw/zinc/10/45/36/433104536.db2.gz JTSFHTDHLOKMDS-BSLXNSKLSA-N 1 0 310.419 3.154 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341520835 433110873 /nfs/dbraw/zinc/11/08/73/433110873.db2.gz SNALODBJNVPNDX-HNNXBMFYSA-N 1 0 323.824 3.308 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000453353591 433113705 /nfs/dbraw/zinc/11/37/05/433113705.db2.gz QMRRJFHSOSZQEH-GUYCJALGSA-N 1 0 316.405 3.390 20 5 DGBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO[C@@H]1C1CC1 ZINC000341527643 433114522 /nfs/dbraw/zinc/11/45/22/433114522.db2.gz BQLUHNMHGREWTP-HZPDHXFCSA-N 1 0 308.353 3.029 20 5 DGBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446836635 433114549 /nfs/dbraw/zinc/11/45/49/433114549.db2.gz RVRMFYZYKWREDA-VXGBXAGGSA-N 1 0 302.378 3.387 20 5 DGBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000446839388 433116265 /nfs/dbraw/zinc/11/62/65/433116265.db2.gz SCZDIJULXXQOEU-INIZCTEOSA-N 1 0 318.373 3.351 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000446848289 433120637 /nfs/dbraw/zinc/12/06/37/433120637.db2.gz GNLBGLCQPKNMSD-UHFFFAOYSA-N 1 0 302.359 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCC[NH+]1CCCCC1)CCC2 ZINC000447515148 433209174 /nfs/dbraw/zinc/20/91/74/433209174.db2.gz JMTHXQXLRSMTOH-SFHVURJKSA-N 1 0 317.433 3.438 20 5 DGBDRO Cc1cnn([C@@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000290795309 433170855 /nfs/dbraw/zinc/17/08/55/433170855.db2.gz DWUXUOXUFGJKNP-MQDFFIGUSA-N 1 0 312.373 3.060 20 5 DGBDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290809533 433173207 /nfs/dbraw/zinc/17/32/07/433173207.db2.gz GBCQGELYDBDQKB-IUCAKERBSA-N 1 0 321.204 3.398 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000361479853 433195318 /nfs/dbraw/zinc/19/53/18/433195318.db2.gz ACSAKTGKWQWUJG-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000374496186 433203050 /nfs/dbraw/zinc/20/30/50/433203050.db2.gz LCCRPZPYMDMPJQ-PZSREKOKSA-N 1 0 320.389 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1CCCCCC1)CCC2 ZINC000447527058 433214085 /nfs/dbraw/zinc/21/40/85/433214085.db2.gz DVYXBDXZLDRQRP-SFHVURJKSA-N 1 0 317.433 3.438 20 5 DGBDRO C[NH+](C)CCSCc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000157850687 292753963 /nfs/dbraw/zinc/75/39/63/292753963.db2.gz PQSIVXDSXVOORT-UHFFFAOYSA-N 1 0 308.325 3.408 20 5 DGBDRO CC1(C)C[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000453584888 433218270 /nfs/dbraw/zinc/21/82/70/433218270.db2.gz RBFIKNKQGNBADV-BRLPQQTGSA-N 1 0 304.390 3.403 20 5 DGBDRO CN(CCC[NH+]1CCCC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000337278369 433218516 /nfs/dbraw/zinc/21/85/16/433218516.db2.gz SPBVQGBDWPGUND-UHFFFAOYSA-N 1 0 311.813 3.166 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000280905572 433218715 /nfs/dbraw/zinc/21/87/15/433218715.db2.gz GCUGBDKNCLQXFX-IUODEOHRSA-N 1 0 322.405 3.195 20 5 DGBDRO C[C@@H]1CCCN(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447550424 433223425 /nfs/dbraw/zinc/22/34/25/433223425.db2.gz NAKPTNGDLQGMHO-RDTXWAMCSA-N 1 0 317.433 3.294 20 5 DGBDRO Cc1cccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC(C)C)c1 ZINC000350731641 433268546 /nfs/dbraw/zinc/26/85/46/433268546.db2.gz CQRRFEFRYNDRKG-UHFFFAOYSA-N 1 0 316.405 3.258 20 5 DGBDRO CC1(C)CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447584189 433236867 /nfs/dbraw/zinc/23/68/67/433236867.db2.gz DTCNKRDGDVLMCD-BFHYXJOUSA-N 1 0 306.410 3.443 20 5 DGBDRO CCC(C)(C)[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298749953 433238179 /nfs/dbraw/zinc/23/81/79/433238179.db2.gz WJDMTHQESRYHEA-UHFFFAOYSA-N 1 0 323.393 3.052 20 5 DGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@H](C)OC ZINC000361565249 433250294 /nfs/dbraw/zinc/25/02/94/433250294.db2.gz OQMHISUJWNSMDR-ZDUSSCGKSA-N 1 0 310.394 3.239 20 5 DGBDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000453627190 433251151 /nfs/dbraw/zinc/25/11/51/433251151.db2.gz UYTGDMRMCOJEKI-QGZVFWFLSA-N 1 0 320.389 3.149 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000374715943 433262521 /nfs/dbraw/zinc/26/25/21/433262521.db2.gz OIKVDYFWUPLIAL-DGCLKSJQSA-N 1 0 310.781 3.107 20 5 DGBDRO C[C@@H](O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291702498 433319672 /nfs/dbraw/zinc/31/96/72/433319672.db2.gz ZCYVOBADFPHMGV-MRVPVSSYSA-N 1 0 307.177 3.152 20 5 DGBDRO CC1(C)C[C@@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000425550495 433292844 /nfs/dbraw/zinc/29/28/44/433292844.db2.gz ZPUBDYWPAHZXDD-INIZCTEOSA-N 1 0 314.389 3.265 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000448023209 433347694 /nfs/dbraw/zinc/34/76/94/433347694.db2.gz SFBDVMZBBMQEFK-NWDGAFQWSA-N 1 0 310.419 3.397 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCOC2)cc(C(F)(F)F)c1 ZINC000425986768 433395131 /nfs/dbraw/zinc/39/51/31/433395131.db2.gz GJYALHPHPLPGKS-JTQLQIEISA-N 1 0 318.295 3.130 20 5 DGBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301082195 433406770 /nfs/dbraw/zinc/40/67/70/433406770.db2.gz IPWOHIVYFPKRNS-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301125042 433424090 /nfs/dbraw/zinc/42/40/90/433424090.db2.gz ZQRWWGRFBJYBEM-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H]([NH2+][C@@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000361878080 433434538 /nfs/dbraw/zinc/43/45/38/433434538.db2.gz XIGMPEUTMCSYDD-GUYCJALGSA-N 1 0 300.358 3.369 20 5 DGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c2cnccc12)C1CCCC1 ZINC000301198645 433451720 /nfs/dbraw/zinc/45/17/20/433451720.db2.gz OLRAHKRJPBSUIX-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414197881 433457612 /nfs/dbraw/zinc/45/76/12/433457612.db2.gz CEBLQVFKXYKPAE-SCNOPHJPSA-N 1 0 318.417 3.463 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000337532960 290049016 /nfs/dbraw/zinc/04/90/16/290049016.db2.gz DWZPLBHVPUNEQJ-XDTLVQLUSA-N 1 0 300.305 3.406 20 5 DGBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000341275380 290141053 /nfs/dbraw/zinc/14/10/53/290141053.db2.gz JNVVWOMWRDKMCL-RZLSGREXSA-N 1 0 306.406 3.055 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1C ZINC000282040941 433476783 /nfs/dbraw/zinc/47/67/83/433476783.db2.gz LNGXNESKFUBKLJ-BXUZGUMPSA-N 1 0 305.378 3.010 20 5 DGBDRO Cc1ccnc(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301266909 433480269 /nfs/dbraw/zinc/48/02/69/433480269.db2.gz GTXBOMBFFLWZJV-OKILXGFUSA-N 1 0 320.437 3.468 20 5 DGBDRO Cc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)c(C)n1 ZINC000361985110 433480692 /nfs/dbraw/zinc/48/06/92/433480692.db2.gz WVOWVPDASPVBLG-UHFFFAOYSA-N 1 0 314.345 3.237 20 5 DGBDRO Cc1ccnc(NC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000301282527 433483749 /nfs/dbraw/zinc/48/37/49/433483749.db2.gz KNTAGWQTDXJYMK-AWEZNQCLSA-N 1 0 314.389 3.231 20 5 DGBDRO COc1cc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301327944 433512294 /nfs/dbraw/zinc/51/22/94/433512294.db2.gz AAKPDMOGUHGXHF-OLZOCXBDSA-N 1 0 307.394 3.136 20 5 DGBDRO CC[C@H](C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000421390450 433533280 /nfs/dbraw/zinc/53/32/80/433533280.db2.gz UVKBNUJJBJMENZ-WFASDCNBSA-N 1 0 302.378 3.053 20 5 DGBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000351500030 433533724 /nfs/dbraw/zinc/53/37/24/433533724.db2.gz FXKIWIMYIMTZGV-QGZVFWFLSA-N 1 0 306.406 3.455 20 5 DGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C[N@@H+]1C ZINC000351499956 433534021 /nfs/dbraw/zinc/53/40/21/433534021.db2.gz DSTHIKNFVLCTHS-ZJUUUORDSA-N 1 0 317.311 3.142 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301303223 433497551 /nfs/dbraw/zinc/49/75/51/433497551.db2.gz YPUVNMCNTNTYML-LBPRGKRZSA-N 1 0 322.365 3.179 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000421359794 433500043 /nfs/dbraw/zinc/50/00/43/433500043.db2.gz GWONJBFMHFIYBE-UKRRQHHQSA-N 1 0 306.406 3.169 20 5 DGBDRO CC(C)c1ccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000421359792 433501983 /nfs/dbraw/zinc/50/19/83/433501983.db2.gz GWONJBFMHFIYBE-DZGCQCFKSA-N 1 0 306.406 3.169 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000421412953 433556361 /nfs/dbraw/zinc/55/63/61/433556361.db2.gz UVWANEJGXJGZOG-OOXMNIKJSA-N 1 0 303.406 3.024 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282398834 433593538 /nfs/dbraw/zinc/59/35/38/433593538.db2.gz XUSHYAIVYXUXDH-MRXNPFEDSA-N 1 0 304.390 3.076 20 5 DGBDRO CSc1ccc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc1[N+](=O)[O-] ZINC000339398537 433557306 /nfs/dbraw/zinc/55/73/06/433557306.db2.gz VUFKXLOMRMSXKY-SNVBAGLBSA-N 1 0 322.390 3.413 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000301446859 433562072 /nfs/dbraw/zinc/56/20/72/433562072.db2.gz QHLQBGQPGIFXJM-KBPBESRZSA-N 1 0 321.421 3.274 20 5 DGBDRO Cc1cc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301459857 433564801 /nfs/dbraw/zinc/56/48/01/433564801.db2.gz YDAIECYYFRUWFT-YRGRVCCFSA-N 1 0 306.410 3.077 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161491958 292836348 /nfs/dbraw/zinc/83/63/48/292836348.db2.gz DOFSDIMVULFTHS-GOEBONIOSA-N 1 0 314.385 3.330 20 5 DGBDRO Cc1nc(NCCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301621705 433642483 /nfs/dbraw/zinc/64/24/83/433642483.db2.gz FLWXNTWFJPYHSJ-CYBMUJFWSA-N 1 0 306.410 3.365 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000165302307 292878801 /nfs/dbraw/zinc/87/88/01/292878801.db2.gz MLBCKPXSZKHDMQ-ZFWWWQNUSA-N 1 0 305.422 3.286 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301570545 433618425 /nfs/dbraw/zinc/61/84/25/433618425.db2.gz XXFXUQBVEZUXRU-HNNXBMFYSA-N 1 0 314.389 3.429 20 5 DGBDRO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414491063 433660911 /nfs/dbraw/zinc/66/09/11/433660911.db2.gz WPAJSZKRBUZXBH-WMZOPIPTSA-N 1 0 312.369 3.211 20 5 DGBDRO COCc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293232068 433663316 /nfs/dbraw/zinc/66/33/16/433663316.db2.gz AUWNTUGRPVADCZ-LBPRGKRZSA-N 1 0 315.373 3.174 20 5 DGBDRO COCc1ccccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293255365 433677094 /nfs/dbraw/zinc/67/70/94/433677094.db2.gz BTTJJKKTYDXTJL-LBPRGKRZSA-N 1 0 315.373 3.174 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000301720427 433691865 /nfs/dbraw/zinc/69/18/65/433691865.db2.gz PVGRJBSMJFNPFU-YPMHNXCESA-N 1 0 309.797 3.169 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000301725430 433695853 /nfs/dbraw/zinc/69/58/53/433695853.db2.gz POOFKHOEEHCMAJ-GASCZTMLSA-N 1 0 321.421 3.205 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301748828 433706652 /nfs/dbraw/zinc/70/66/52/433706652.db2.gz SPBHTQMSGCAZET-WDEREUQCSA-N 1 0 312.801 3.176 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301764919 433712085 /nfs/dbraw/zinc/71/20/85/433712085.db2.gz GYFQDACCVJCBLP-KSSFIOAISA-N 1 0 315.417 3.356 20 5 DGBDRO CC(C)c1ccc(C[NH+]2CCC3(CCO3)CC2)cc1[N+](=O)[O-] ZINC000374320791 293383231 /nfs/dbraw/zinc/38/32/31/293383231.db2.gz MWVFSWHAVPJRPM-UHFFFAOYSA-N 1 0 304.390 3.473 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccccc1F ZINC000449060527 433713948 /nfs/dbraw/zinc/71/39/48/433713948.db2.gz STWIALJYXGRVIR-CYBMUJFWSA-N 1 0 302.349 3.497 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccccc1F ZINC000449060528 433714232 /nfs/dbraw/zinc/71/42/32/433714232.db2.gz STWIALJYXGRVIR-ZDUSSCGKSA-N 1 0 302.349 3.497 20 5 DGBDRO Cc1c(C[NH+]2CCC([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000374607380 293423349 /nfs/dbraw/zinc/42/33/49/293423349.db2.gz UXKAAVPGTGAKLF-INIZCTEOSA-N 1 0 304.390 3.152 20 5 DGBDRO Cc1c(C[NH2+][C@H](C(C)C)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000339732391 433750397 /nfs/dbraw/zinc/75/03/97/433750397.db2.gz UNKGKMFQHBGQLU-MRXNPFEDSA-N 1 0 306.406 3.180 20 5 DGBDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414661428 433773036 /nfs/dbraw/zinc/77/30/36/433773036.db2.gz XBUSXLKRSKCNJN-GFCCVEGCSA-N 1 0 317.414 3.117 20 5 DGBDRO CN(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000429732525 433782313 /nfs/dbraw/zinc/78/23/13/433782313.db2.gz XGSWYQNTYHXNSN-UHFFFAOYSA-N 1 0 313.401 3.159 20 5 DGBDRO COc1cc(C[NH2+]CC23CCC(CC2)C3)c([N+](=O)[O-])cc1OC ZINC000339796108 433788611 /nfs/dbraw/zinc/78/86/11/433788611.db2.gz VKLIGNKVUGQNBV-UHFFFAOYSA-N 1 0 320.389 3.282 20 5 DGBDRO CCC(CC)[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430221411 433790207 /nfs/dbraw/zinc/79/02/07/433790207.db2.gz RNQODKRBWWFXBN-UHFFFAOYSA-N 1 0 310.394 3.240 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000339823001 433804167 /nfs/dbraw/zinc/80/41/67/433804167.db2.gz RBCKHNQXQPPFAL-KRWDZBQOSA-N 1 0 322.405 3.240 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000293612738 433804077 /nfs/dbraw/zinc/80/40/77/433804077.db2.gz LXQYGGINRGWALT-GFCCVEGCSA-N 1 0 316.357 3.030 20 5 DGBDRO C[C@H]1[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343424070 433805748 /nfs/dbraw/zinc/80/57/48/433805748.db2.gz CIDIWZACOJMOLC-WCQYABFASA-N 1 0 300.362 3.038 20 5 DGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1c(Cl)cccc1[N+](=O)[O-] ZINC000432158368 433821809 /nfs/dbraw/zinc/82/18/09/433821809.db2.gz VXSFTHSRYMWNDT-NWDGAFQWSA-N 1 0 309.797 3.311 20 5 DGBDRO CCN(CC[NH+]1CCCCCC1)c1ncc(C)cc1[N+](=O)[O-] ZINC000343803427 433828373 /nfs/dbraw/zinc/82/83/73/433828373.db2.gz IBKJSNMFQGIAFE-UHFFFAOYSA-N 1 0 306.410 3.001 20 5 DGBDRO C[C@H](C1CCC1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000357030931 433834983 /nfs/dbraw/zinc/83/49/83/433834983.db2.gz YJCWKHVNRDCFIH-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000357039771 433839267 /nfs/dbraw/zinc/83/92/67/433839267.db2.gz NVSQANTZPZHYRE-LBPRGKRZSA-N 1 0 308.378 3.103 20 5 DGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293722189 433842275 /nfs/dbraw/zinc/84/22/75/433842275.db2.gz MNDRITSCLFCONK-NEPJUHHUSA-N 1 0 315.373 3.164 20 5 DGBDRO C[C@](O)(C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433116991 433843365 /nfs/dbraw/zinc/84/33/65/433843365.db2.gz MKRRHMVFVSCNRI-RDJZCZTQSA-N 1 0 304.390 3.068 20 5 DGBDRO CC(C)C1([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000293735086 433847216 /nfs/dbraw/zinc/84/72/16/433847216.db2.gz OSQCRLYWQVVWNX-LBPRGKRZSA-N 1 0 305.378 3.090 20 5 DGBDRO CC(C)[C@H](CCO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433291902 433849450 /nfs/dbraw/zinc/84/94/50/433849450.db2.gz VVLLPLUJVXCEIN-JKSUJKDBSA-N 1 0 306.406 3.314 20 5 DGBDRO CCCC[NH+]1CCC(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284228043 433864873 /nfs/dbraw/zinc/86/48/73/433864873.db2.gz UMADDMCKWOHHMO-ZDUSSCGKSA-N 1 0 320.437 3.092 20 5 DGBDRO CC(C)C[C@H](C[NH3+])NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414834112 433869236 /nfs/dbraw/zinc/86/92/36/433869236.db2.gz GPHGGKZFCIIZGO-CQSZACIVSA-N 1 0 317.389 3.318 20 5 DGBDRO [NH3+]C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000414840057 433871858 /nfs/dbraw/zinc/87/18/58/433871858.db2.gz MDGKQGKTHXTWNZ-DIEDAUMRSA-N 1 0 303.406 3.105 20 5 DGBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414954590 433935080 /nfs/dbraw/zinc/93/50/80/433935080.db2.gz NHICLFCZTJYEKX-LRDDRELGSA-N 1 0 315.373 3.085 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3C3CC3)n2)cc1 ZINC000377546762 433913425 /nfs/dbraw/zinc/91/34/25/433913425.db2.gz VJXLLKLUQXSSRW-AWEZNQCLSA-N 1 0 314.345 3.019 20 5 DGBDRO C[C@H](CCO)C1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000285396410 433934026 /nfs/dbraw/zinc/93/40/26/433934026.db2.gz WZTZGHZXJTWSEC-OLZOCXBDSA-N 1 0 321.421 3.016 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCC[NH2+]C2)s1 ZINC000414862019 433892392 /nfs/dbraw/zinc/89/23/92/433892392.db2.gz GSNOQTLUBSUBCJ-GFCCVEGCSA-N 1 0 317.414 3.165 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000352298622 434032381 /nfs/dbraw/zinc/03/23/81/434032381.db2.gz ZOCPRQXFYIMQJQ-IIDMSEBBSA-N 1 0 317.433 3.432 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000340279994 434035402 /nfs/dbraw/zinc/03/54/02/434035402.db2.gz SJOHPDBVFWYYDP-INIZCTEOSA-N 1 0 305.422 3.290 20 5 DGBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000450215588 434036892 /nfs/dbraw/zinc/03/68/92/434036892.db2.gz KXDDSRWOEFLZOH-NSHDSACASA-N 1 0 315.320 3.092 20 5 DGBDRO C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000450261534 434062658 /nfs/dbraw/zinc/06/26/58/434062658.db2.gz IOWJTQTZAYZXOT-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450279599 434074489 /nfs/dbraw/zinc/07/44/89/434074489.db2.gz XYGONLAXLRRPKG-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1c(F)ccc(O)c1F ZINC000353359985 434076586 /nfs/dbraw/zinc/07/65/86/434076586.db2.gz DRAPYFVCHHVXSY-UHFFFAOYSA-N 1 0 322.311 3.253 20 5 DGBDRO C[NH+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000308647989 434092882 /nfs/dbraw/zinc/09/28/82/434092882.db2.gz OMGODRGLIUISOC-UHFFFAOYSA-N 1 0 316.199 3.109 20 5 DGBDRO C[C@@H]1[C@@H](Nc2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000309878559 434100821 /nfs/dbraw/zinc/10/08/21/434100821.db2.gz IVUKESPJGQNSIB-HIFRSBDPSA-N 1 0 312.373 3.065 20 5 DGBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000309759451 434098661 /nfs/dbraw/zinc/09/86/61/434098661.db2.gz XRAHVTNRGKDLPR-BBRMVZONSA-N 1 0 312.373 3.065 20 5 DGBDRO CC[C@@H]1C[C@]1([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C)c1 ZINC000502564016 294168600 /nfs/dbraw/zinc/16/86/00/294168600.db2.gz BWRFSNGLWKTMLG-RHSMWYFYSA-N 1 0 314.389 3.015 20 5 DGBDRO CC[C@H]1C[C@@]1([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C)c1 ZINC000502564018 294169265 /nfs/dbraw/zinc/16/92/65/294169265.db2.gz BWRFSNGLWKTMLG-YOEHRIQHSA-N 1 0 314.389 3.015 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000502832156 294176586 /nfs/dbraw/zinc/17/65/86/294176586.db2.gz GIYKSLQQNDEEAZ-OLZOCXBDSA-N 1 0 305.378 3.010 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)CC ZINC000504893461 294223466 /nfs/dbraw/zinc/22/34/66/294223466.db2.gz FSQRALSVTNIXCP-IUODEOHRSA-N 1 0 312.435 3.216 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)COC ZINC000504899122 294223623 /nfs/dbraw/zinc/22/36/23/294223623.db2.gz BBGARFIEILTELB-QWHCGFSZSA-N 1 0 312.435 3.338 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000507420642 294297368 /nfs/dbraw/zinc/29/73/68/294297368.db2.gz JQPHFMVDDOBOOA-IIAWOOMASA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000507420644 294297562 /nfs/dbraw/zinc/29/75/62/294297562.db2.gz JQPHFMVDDOBOOA-YCPHGPKFSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H]1C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000450377148 434139027 /nfs/dbraw/zinc/13/90/27/434139027.db2.gz KOCNMBPNOVBGHJ-NWDGAFQWSA-N 1 0 312.373 3.180 20 5 DGBDRO C[C@@H](CCCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000294764383 434143011 /nfs/dbraw/zinc/14/30/11/434143011.db2.gz JLAWPEVULUVAGK-VIFPVBQESA-N 1 0 321.204 3.400 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000357775229 434174242 /nfs/dbraw/zinc/17/42/42/434174242.db2.gz ORKNUOFFDDWTOT-JTQLQIEISA-N 1 0 300.790 3.176 20 5 DGBDRO COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000286176543 434187755 /nfs/dbraw/zinc/18/77/55/434187755.db2.gz QRHZAYPGSHYZRA-JTQLQIEISA-N 1 0 320.370 3.294 20 5 DGBDRO C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000513822068 294485475 /nfs/dbraw/zinc/48/54/75/294485475.db2.gz VXVHVXAZEZQCMI-SKDZVZGDSA-N 1 0 318.417 3.057 20 5 DGBDRO CO[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295104302 434199434 /nfs/dbraw/zinc/19/94/34/434199434.db2.gz VILOTEVKXPLQDM-IQIBNGDESA-N 1 0 304.390 3.355 20 5 DGBDRO CCC[C@@](C)(O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000318446322 434209904 /nfs/dbraw/zinc/20/99/04/434209904.db2.gz FIUABKBHGRIGHX-MRXNPFEDSA-N 1 0 303.362 3.414 20 5 DGBDRO CCOc1ccc([C@H](C)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000353579891 434248691 /nfs/dbraw/zinc/24/86/91/434248691.db2.gz VYGJJUZZSMQMAT-KGLIPLIRSA-N 1 0 323.437 3.373 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nccs1 ZINC000515866860 294580809 /nfs/dbraw/zinc/58/08/09/294580809.db2.gz DBIBUFLSXAMWPG-GXFFZTMASA-N 1 0 303.387 3.432 20 5 DGBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000319886034 434227617 /nfs/dbraw/zinc/22/76/17/434227617.db2.gz GJVVKEANXGXFLN-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000382443558 434279344 /nfs/dbraw/zinc/27/93/44/434279344.db2.gz HNWHVBPTRDFLCU-RKDXNWHRSA-N 1 0 303.284 3.295 20 5 DGBDRO N[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423238830 434304481 /nfs/dbraw/zinc/30/44/81/434304481.db2.gz JOXQONQIXUMZIW-QZTJIDSGSA-N 1 0 311.385 3.262 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340699901 434307377 /nfs/dbraw/zinc/30/73/77/434307377.db2.gz XJVURQURWFMUSC-GFCCVEGCSA-N 1 0 302.334 3.019 20 5 DGBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000518139693 294707037 /nfs/dbraw/zinc/70/70/37/294707037.db2.gz UKCFHJWWAOQKDF-HRCADAONSA-N 1 0 304.390 3.111 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCC[C@H](O)CC)cc1[N+](=O)[O-] ZINC000358150650 434351473 /nfs/dbraw/zinc/35/14/73/434351473.db2.gz DYWUEBPNXUHKFM-TZMCWYRMSA-N 1 0 310.394 3.195 20 5 DGBDRO CC[C@H](CCO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308253 434351522 /nfs/dbraw/zinc/35/15/22/434351522.db2.gz HTLWUDXUYJXJIT-DYVFJYSZSA-N 1 0 306.406 3.361 20 5 DGBDRO CC(C)[C@@H](CO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417326482 434354728 /nfs/dbraw/zinc/35/47/28/434354728.db2.gz GJMTYPBHEMPRSL-PBHICJAKSA-N 1 0 306.406 3.216 20 5 DGBDRO C[C@H](C[NH3+])N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423324951 434359154 /nfs/dbraw/zinc/35/91/54/434359154.db2.gz LHCBLRXJSJRABD-MNOVXSKESA-N 1 0 305.403 3.321 20 5 DGBDRO CCC1(CO)CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353806718 434442624 /nfs/dbraw/zinc/44/26/24/434442624.db2.gz HQEDRQHDUBDIIE-ALCCZGGFSA-N 1 0 304.390 3.093 20 5 DGBDRO Cc1c(C[NH2+]Cc2c[nH]nc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000359813525 434431592 /nfs/dbraw/zinc/43/15/92/434431592.db2.gz ZVYVPAGIEOFPQU-UHFFFAOYSA-N 1 0 302.378 3.214 20 5 DGBDRO Cc1cccn2c(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cnc12 ZINC000348666800 434439981 /nfs/dbraw/zinc/43/99/81/434439981.db2.gz BUQFQHMOUYDWNC-UHFFFAOYSA-N 1 0 324.384 3.225 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cnn3ccccc13)CCC2 ZINC000353866542 434491938 /nfs/dbraw/zinc/49/19/38/434491938.db2.gz MXAJYIIQCPZJMI-KRWDZBQOSA-N 1 0 322.368 3.410 20 5 DGBDRO CC(C)c1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000423630192 434501739 /nfs/dbraw/zinc/50/17/39/434501739.db2.gz DGRPERBWQSHQOY-CQSZACIVSA-N 1 0 319.405 3.062 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000348946121 434560367 /nfs/dbraw/zinc/56/03/67/434560367.db2.gz DZLWLDDMCWVVLT-KRWDZBQOSA-N 1 0 304.390 3.294 20 5 DGBDRO C[C@H]1C[C@@H]1c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])o1 ZINC000348895633 434546034 /nfs/dbraw/zinc/54/60/34/434546034.db2.gz RHSRCQLDNXTPRI-JSGCOSHPSA-N 1 0 315.373 3.277 20 5 DGBDRO [NH3+]CCN(Cc1cc(Cl)cs1)c1ccccc1[N+](=O)[O-] ZINC000348898568 434549271 /nfs/dbraw/zinc/54/92/71/434549271.db2.gz XZELPINWFLRBCD-UHFFFAOYSA-N 1 0 311.794 3.275 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348915601 434554640 /nfs/dbraw/zinc/55/46/40/434554640.db2.gz CATZNIVSSDAKJJ-OAHLLOKOSA-N 1 0 308.353 3.125 20 5 DGBDRO [NH3+]CCN(Cc1ccc2occc2c1)c1ccccc1[N+](=O)[O-] ZINC000348923122 434557607 /nfs/dbraw/zinc/55/76/07/434557607.db2.gz SIHSCHFMOYCPMR-UHFFFAOYSA-N 1 0 311.341 3.306 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525411647 295015208 /nfs/dbraw/zinc/01/52/08/295015208.db2.gz WIECUBBKGQVXFY-HZPDHXFCSA-N 1 0 322.405 3.109 20 5 DGBDRO Cc1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000418067652 434577228 /nfs/dbraw/zinc/57/72/28/434577228.db2.gz BTCGQMXTCMPVKY-HNNXBMFYSA-N 1 0 314.389 3.016 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000354018423 434581424 /nfs/dbraw/zinc/58/14/24/434581424.db2.gz PWUHFSSYBJTROI-NTZNESFSSA-N 1 0 310.419 3.396 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000360340311 434581795 /nfs/dbraw/zinc/58/17/95/434581795.db2.gz YHFVMLCMWWUZPU-WWGRRREGSA-N 1 0 319.405 3.338 20 5 DGBDRO CN(C)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000418116543 434592507 /nfs/dbraw/zinc/59/25/07/434592507.db2.gz QXJPIPJRXCSGBA-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO CC[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000354099080 434617931 /nfs/dbraw/zinc/61/79/31/434617931.db2.gz BLQQTVFKJDJAPQ-INIZCTEOSA-N 1 0 306.362 3.083 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000459632571 434638344 /nfs/dbraw/zinc/63/83/44/434638344.db2.gz LPASMJKRMHBNLC-CWRNSKLLSA-N 1 0 306.406 3.462 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N(C)C ZINC000349249883 434650837 /nfs/dbraw/zinc/65/08/37/434650837.db2.gz VNRMIPRKCXDTQA-QWHCGFSZSA-N 1 0 311.451 3.005 20 5 DGBDRO CCOC[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000459676279 434659478 /nfs/dbraw/zinc/65/94/78/434659478.db2.gz NKYGWDQEKGUXPJ-DZFYGRHCSA-N 1 0 304.390 3.499 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCCC3)nc2)n1 ZINC000360668128 434662776 /nfs/dbraw/zinc/66/27/76/434662776.db2.gz DTOTVZZRRJMZGK-UHFFFAOYSA-N 1 0 313.361 3.427 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000360966557 434747521 /nfs/dbraw/zinc/74/75/21/434747521.db2.gz RKLXOLUEPBONNU-CQSZACIVSA-N 1 0 323.441 3.186 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000360966556 434748214 /nfs/dbraw/zinc/74/82/14/434748214.db2.gz RKLXOLUEPBONNU-AWEZNQCLSA-N 1 0 323.441 3.186 20 5 DGBDRO COc1cccc(N(C)CC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000354272305 434700620 /nfs/dbraw/zinc/70/06/20/434700620.db2.gz LARXRAWLLUSENH-UHFFFAOYSA-N 1 0 309.410 3.158 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459780914 434718931 /nfs/dbraw/zinc/71/89/31/434718931.db2.gz LWQUXNYHLDLQLA-CGXDKWGCSA-N 1 0 302.374 3.155 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCCc1ccc(C)nc1 ZINC000354332245 434724301 /nfs/dbraw/zinc/72/43/01/434724301.db2.gz HOZXOPVFTSFEDY-UHFFFAOYSA-N 1 0 315.373 3.029 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000371865606 434761330 /nfs/dbraw/zinc/76/13/30/434761330.db2.gz WWCAIXACKWBIEC-AWEZNQCLSA-N 1 0 304.390 3.294 20 5 DGBDRO COCCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000419384343 434783786 /nfs/dbraw/zinc/78/37/86/434783786.db2.gz KIZYVHYOZWYQCC-UHFFFAOYSA-N 1 0 320.311 3.472 20 5 DGBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000419394170 434786248 /nfs/dbraw/zinc/78/62/48/434786248.db2.gz ONKACMUQNJFEIM-GRYCIOLGSA-N 1 0 316.361 3.121 20 5 DGBDRO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@H]1C[C@H]1c1cccc(F)c1)CC2 ZINC000411482635 434789806 /nfs/dbraw/zinc/78/98/06/434789806.db2.gz TXRDQTDGLFMSMY-RDJZCZTQSA-N 1 0 313.332 3.043 20 5 DGBDRO C[C@@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411630471 434811249 /nfs/dbraw/zinc/81/12/49/434811249.db2.gz IKXBJOTWCQLXGC-IUODEOHRSA-N 1 0 305.378 3.044 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000361239744 434839073 /nfs/dbraw/zinc/83/90/73/434839073.db2.gz XQSMNHJVKXUTNE-QXSWTLKVSA-N 1 0 312.373 3.142 20 5 DGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000412041510 434860301 /nfs/dbraw/zinc/86/03/01/434860301.db2.gz LNOHZBAZTGYWNV-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO CC[N@@H+]1CC[C@H](N(C)c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000461947802 434893395 /nfs/dbraw/zinc/89/33/95/434893395.db2.gz KXVRJYRMHXXZGY-STQMWFEESA-N 1 0 309.385 3.351 20 5 DGBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492002013 434898191 /nfs/dbraw/zinc/89/81/91/434898191.db2.gz RIFZHMALXOGCFC-CHWSQXEVSA-N 1 0 323.824 3.307 20 5 DGBDRO C[NH+](C)C1(CNc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000462885365 434935109 /nfs/dbraw/zinc/93/51/09/434935109.db2.gz TZBCHGJOTFUPMF-UHFFFAOYSA-N 1 0 311.385 3.106 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCc1nccs1 ZINC000574171236 434956543 /nfs/dbraw/zinc/95/65/43/434956543.db2.gz LKLYNDITZLIJBV-CYBMUJFWSA-N 1 0 303.387 3.261 20 5 DGBDRO CC(C)(C)C[N@H+](CCCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523854580 434963574 /nfs/dbraw/zinc/96/35/74/434963574.db2.gz MNMBWNVENPQYBD-UHFFFAOYSA-N 1 0 314.813 3.479 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCc3ccccc3CC2)c1 ZINC000523861516 434963649 /nfs/dbraw/zinc/96/36/49/434963649.db2.gz UTRLNHPPCNAKFX-UHFFFAOYSA-N 1 0 312.369 3.074 20 5 DGBDRO CC(C)CC[C@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000574395104 434974733 /nfs/dbraw/zinc/97/47/33/434974733.db2.gz ZNAXISDXJPKWKG-AWEZNQCLSA-N 1 0 314.813 3.177 20 5 DGBDRO COc1cc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000462789757 434929601 /nfs/dbraw/zinc/92/96/01/434929601.db2.gz SCUMJVZKKFQICC-KBPBESRZSA-N 1 0 321.421 3.383 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(CC)(CC)OC ZINC000492480883 434992787 /nfs/dbraw/zinc/99/27/87/434992787.db2.gz BVFIOGBXAWISLK-UHFFFAOYSA-N 1 0 310.394 3.288 20 5 DGBDRO CC(C)[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464777995 435000050 /nfs/dbraw/zinc/00/00/50/435000050.db2.gz WLQKTLZWRARRIU-MRXNPFEDSA-N 1 0 324.446 3.437 20 5 DGBDRO CC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000556237946 435001753 /nfs/dbraw/zinc/00/17/53/435001753.db2.gz FTPPUQDCVWLJRC-LSDHHAIUSA-N 1 0 306.406 3.456 20 5 DGBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000578244807 435070814 /nfs/dbraw/zinc/07/08/14/435070814.db2.gz LMKXCHDECLXHCG-TZMCWYRMSA-N 1 0 315.373 3.166 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000466420296 435076182 /nfs/dbraw/zinc/07/61/82/435076182.db2.gz ZAXNVJHCIDUCEA-INIZCTEOSA-N 1 0 306.406 3.182 20 5 DGBDRO COC(C)(C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000531575876 435103353 /nfs/dbraw/zinc/10/33/53/435103353.db2.gz NJJWSPGTDOEJKC-UHFFFAOYSA-N 1 0 310.394 3.239 20 5 DGBDRO CC(C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000467173503 435111094 /nfs/dbraw/zinc/11/10/94/435111094.db2.gz CWJMNOLNQSRGSO-KBPBESRZSA-N 1 0 319.405 3.290 20 5 DGBDRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000467438038 435122442 /nfs/dbraw/zinc/12/24/42/435122442.db2.gz YMRMDSFCEIVBCU-APIJFGDWSA-N 1 0 306.410 3.301 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N(C)C)CCCC1 ZINC000468621888 435128222 /nfs/dbraw/zinc/12/82/22/435128222.db2.gz PHSCIVPTZYXKFJ-PTNGSMBKSA-N 1 0 317.433 3.462 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000579213677 435138672 /nfs/dbraw/zinc/13/86/72/435138672.db2.gz QNKSAWWVTLTSBV-LBPRGKRZSA-N 1 0 309.797 3.074 20 5 DGBDRO Cc1ccc(C[N@H+]2CCC[C@]2(CO)CC(C)C)cc1[N+](=O)[O-] ZINC000475383670 435194893 /nfs/dbraw/zinc/19/48/93/435194893.db2.gz WLQCFBWTBJRZCF-QGZVFWFLSA-N 1 0 306.406 3.276 20 5 DGBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000532968031 435202230 /nfs/dbraw/zinc/20/22/30/435202230.db2.gz OUNIBGHGEJCHGG-DZGCQCFKSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000583924238 435256779 /nfs/dbraw/zinc/25/67/79/435256779.db2.gz LTOAXVNEVSNIQY-WKTRQSJXSA-N 1 0 305.422 3.318 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534862055 435304113 /nfs/dbraw/zinc/30/41/13/435304113.db2.gz BDATUOHPIZLJEE-UHFFFAOYSA-N 1 0 312.373 3.066 20 5 DGBDRO CO[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000511124987 435316885 /nfs/dbraw/zinc/31/68/85/435316885.db2.gz NDNUYTXAGRXNGJ-SFHVURJKSA-N 1 0 314.385 3.457 20 5 DGBDRO COc1ccc(CC[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511136110 435317020 /nfs/dbraw/zinc/31/70/20/435317020.db2.gz JIWDZTGITZAPHJ-UHFFFAOYSA-N 1 0 314.385 3.320 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997469 435333585 /nfs/dbraw/zinc/33/35/85/435333585.db2.gz KUQSHNKUPAJWMA-LZWOXQAQSA-N 1 0 324.808 3.374 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCN2CC=CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000479513087 435336623 /nfs/dbraw/zinc/33/66/23/435336623.db2.gz LWIBMWXLZYUKGR-QGZVFWFLSA-N 1 0 315.417 3.169 20 5 DGBDRO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000567906021 435369913 /nfs/dbraw/zinc/36/99/13/435369913.db2.gz ATJSIXUKKURRAQ-HJHHMULASA-N 1 0 302.374 3.251 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000512891675 435372908 /nfs/dbraw/zinc/37/29/08/435372908.db2.gz QLTKEJGXIZBECG-FVCQUJQRSA-N 1 0 304.390 3.260 20 5 DGBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000514910517 435448862 /nfs/dbraw/zinc/44/88/62/435448862.db2.gz ZEDVIMNBOZULRW-VWNJHIHFSA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482100555 435452309 /nfs/dbraw/zinc/45/23/09/435452309.db2.gz OCVKNVLJJWPIAJ-XOKHGSTOSA-N 1 0 318.417 3.463 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCc3c2cccc3F)cc1 ZINC000537967900 435477408 /nfs/dbraw/zinc/47/74/08/435477408.db2.gz GAYJKDXOEMGVNE-KRWDZBQOSA-N 1 0 316.332 3.390 20 5 DGBDRO C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530394 435534894 /nfs/dbraw/zinc/53/48/94/435534894.db2.gz XBCXDWYUUSKCNC-GUYCJALGSA-N 1 0 317.433 3.249 20 5 DGBDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482866027 435486908 /nfs/dbraw/zinc/48/69/08/435486908.db2.gz DTTBFNPZJRTJEE-LSDHHAIUSA-N 1 0 305.422 3.428 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)CC2CCCCC2)cc1 ZINC000485850882 435580524 /nfs/dbraw/zinc/58/05/24/435580524.db2.gz GFFCUDSHZYMGLU-UHFFFAOYSA-N 1 0 306.406 3.012 20 5 DGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000540395827 435598823 /nfs/dbraw/zinc/59/88/23/435598823.db2.gz AVXKKVAWMXFTFR-YSVLISHTSA-N 1 0 306.406 3.321 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C2(CCCCC2)C1 ZINC000490405038 435655444 /nfs/dbraw/zinc/65/54/44/435655444.db2.gz XWMNCXXUTZVYMO-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO Cc1cccc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000549198641 435748590 /nfs/dbraw/zinc/74/85/90/435748590.db2.gz RIBBNMGFKIYUQC-CYBMUJFWSA-N 1 0 303.406 3.214 20 5 DGBDRO Cc1c(C[N@@H+](C)CCN(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000520783564 435771958 /nfs/dbraw/zinc/77/19/58/435771958.db2.gz GSAXBTVCWAWYEZ-UHFFFAOYSA-N 1 0 313.401 3.471 20 5 DGBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000572420159 435822478 /nfs/dbraw/zinc/82/24/78/435822478.db2.gz NOILVXFTIOVVMZ-TZMCWYRMSA-N 1 0 315.373 3.166 20 5 DGBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000552132074 435883542 /nfs/dbraw/zinc/88/35/42/435883542.db2.gz HWCFXQGUWQKQEV-HNNXBMFYSA-N 1 0 305.422 3.244 20 5 DGBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc2ccccc2c2cccnc12 ZINC000662609678 436369089 /nfs/dbraw/zinc/36/90/89/436369089.db2.gz ZOPIQACCKNKHDW-UHFFFAOYSA-N 1 0 307.397 3.197 20 5 DGBDRO Cc1cccc(NCC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000347795544 312848149 /nfs/dbraw/zinc/84/81/49/312848149.db2.gz FJKAVDDSIHSJGN-YVMONPNESA-N 1 0 312.373 3.013 20 5 DGBDRO COCC1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000531701469 313481917 /nfs/dbraw/zinc/48/19/17/313481917.db2.gz YOEPPQFWTQXTQK-UHFFFAOYSA-N 1 0 302.330 3.123 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000531994531 313510170 /nfs/dbraw/zinc/51/01/70/313510170.db2.gz NINGHZHBAAGUGA-IAOVAPTHSA-N 1 0 306.406 3.495 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CCO)CCCC1 ZINC000532531764 313558709 /nfs/dbraw/zinc/55/87/09/313558709.db2.gz CQMQSSNGNFMSII-CQSZACIVSA-N 1 0 306.406 3.497 20 5 DGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000537095190 313796709 /nfs/dbraw/zinc/79/67/09/313796709.db2.gz NUZVUNFJZQFEHW-LZLYRXPVSA-N 1 0 318.417 3.321 20 5 DGBDRO CCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000541662599 314031701 /nfs/dbraw/zinc/03/17/01/314031701.db2.gz HTGOXEDKKVGWAJ-AWEZNQCLSA-N 1 0 319.405 3.496 20 5 DGBDRO C[C@@H]1COc2ccccc2C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000542947991 314107746 /nfs/dbraw/zinc/10/77/46/314107746.db2.gz NPLDNUDYIIVHGT-CQSZACIVSA-N 1 0 312.369 3.420 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000543181503 314118716 /nfs/dbraw/zinc/11/87/16/314118716.db2.gz HQFDXMNBWAPONJ-LBPRGKRZSA-N 1 0 319.405 3.210 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000543248058 314123965 /nfs/dbraw/zinc/12/39/65/314123965.db2.gz OFTAOEUVRVZOEA-ZDUSSCGKSA-N 1 0 319.405 3.210 20 5 DGBDRO CC(C)(C)C[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543856839 314161722 /nfs/dbraw/zinc/16/17/22/314161722.db2.gz ZCOIWPRPPZTHBL-UHFFFAOYSA-N 1 0 314.813 3.479 20 5 DGBDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000544844308 314213179 /nfs/dbraw/zinc/21/31/79/314213179.db2.gz CHOACUOKUGPALK-SNVBAGLBSA-N 1 0 306.284 3.424 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC[N@@H+]1C ZINC000545474546 314253780 /nfs/dbraw/zinc/25/37/80/314253780.db2.gz LWDBONUVOMQSCS-UWVGGRQHSA-N 1 0 315.320 3.091 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000555637692 314731704 /nfs/dbraw/zinc/73/17/04/314731704.db2.gz GCVIRLQOCHPLOF-IQRUHWCRSA-N 1 0 304.390 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000562721681 315047885 /nfs/dbraw/zinc/04/78/85/315047885.db2.gz RGKOSTFBOLCVDU-LBPRGKRZSA-N 1 0 312.373 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC3=CCCCC3)CC2)cn1 ZINC000563781742 315137221 /nfs/dbraw/zinc/13/72/21/315137221.db2.gz XCSXYTGRKZWWNI-UHFFFAOYSA-N 1 0 316.405 3.002 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566019445 315305309 /nfs/dbraw/zinc/30/53/09/315305309.db2.gz ILNHPVXAFCURRB-CZUORRHYSA-N 1 0 305.422 3.292 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000566428231 315344778 /nfs/dbraw/zinc/34/47/78/315344778.db2.gz CFJHTILKYZGHIP-GXFFZTMASA-N 1 0 316.361 3.484 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000566428233 315344976 /nfs/dbraw/zinc/34/49/76/315344976.db2.gz CFJHTILKYZGHIP-ZWNOBZJWSA-N 1 0 316.361 3.484 20 5 DGBDRO Cc1noc(C)c1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566688723 315367892 /nfs/dbraw/zinc/36/78/92/315367892.db2.gz JDZMNWVOWKSSPT-HNNXBMFYSA-N 1 0 301.346 3.019 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CO[C@H](C)C1 ZINC000567857363 315455587 /nfs/dbraw/zinc/45/55/87/315455587.db2.gz CGXVUOXHFVYSEE-JHJVBQTASA-N 1 0 310.419 3.233 20 5 DGBDRO CC[C@@]1(C(C)C)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571197880 315703614 /nfs/dbraw/zinc/70/36/14/315703614.db2.gz ANEMWGARFHOIKK-RDJZCZTQSA-N 1 0 319.405 3.338 20 5 DGBDRO COC1([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000574680461 315990826 /nfs/dbraw/zinc/99/08/26/315990826.db2.gz RDOXCVPVYPWNSW-ZIAGYGMSSA-N 1 0 322.405 3.138 20 5 DGBDRO C[C@H]1CC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000575916960 316074898 /nfs/dbraw/zinc/07/48/98/316074898.db2.gz CNXSYTDONYVCCD-CHWSQXEVSA-N 1 0 319.405 3.338 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(Cl)cs2)cc1 ZINC000576172202 316102603 /nfs/dbraw/zinc/10/26/03/316102603.db2.gz IBZFZMCELFQFJS-UHFFFAOYSA-N 1 0 312.778 3.478 20 5 DGBDRO Cc1ncncc1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000576715028 316160060 /nfs/dbraw/zinc/16/00/60/316160060.db2.gz HCXMVDJNVXIPKI-SNVBAGLBSA-N 1 0 320.780 3.240 20 5 DGBDRO CCC(CC)[N@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000577914534 316283589 /nfs/dbraw/zinc/28/35/89/316283589.db2.gz XWCIDCALJOPYAN-UHFFFAOYSA-N 1 0 307.394 3.352 20 5 DGBDRO CC(C)C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000181789480 323269482 /nfs/dbraw/zinc/26/94/82/323269482.db2.gz VKXXULVBUCEDSX-OAHLLOKOSA-N 1 0 302.378 3.168 20 5 DGBDRO CCC[C@@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)OC ZINC000378771871 323605653 /nfs/dbraw/zinc/60/56/53/323605653.db2.gz MFQBMKFJKQXNOM-ZDUSSCGKSA-N 1 0 303.362 3.100 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000581034910 324066598 /nfs/dbraw/zinc/06/65/98/324066598.db2.gz RVKHEBFLPZIHGE-HXQHXECISA-N 1 0 318.417 3.386 20 5 DGBDRO CC[N@H+](CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000581111433 324075147 /nfs/dbraw/zinc/07/51/47/324075147.db2.gz VXKDJALNBBGVNX-QGZVFWFLSA-N 1 0 305.422 3.292 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](CO)CC1CCCC1 ZINC000582013200 324179373 /nfs/dbraw/zinc/17/93/73/324179373.db2.gz DLBMCZOCUXSJHF-PBHICJAKSA-N 1 0 318.417 3.361 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)CCCC2 ZINC000582774745 324273199 /nfs/dbraw/zinc/27/31/99/324273199.db2.gz QZMIIFBMRYJCRM-QRTARXTBSA-N 1 0 304.390 3.255 20 5 DGBDRO CC[C@@H](C)C[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584227234 331870454 /nfs/dbraw/zinc/87/04/54/331870454.db2.gz LBUGNABCOUOKQN-CHWSQXEVSA-N 1 0 307.394 3.338 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCC[C@H]1C ZINC000584479702 337348563 /nfs/dbraw/zinc/34/85/63/337348563.db2.gz CYTRLIJYCOBHGU-CKEIUWERSA-N 1 0 317.433 3.435 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000584539682 337359355 /nfs/dbraw/zinc/35/93/55/337359355.db2.gz ALHGGZQUULJHIQ-KRWDZBQOSA-N 1 0 315.417 3.046 20 5 DGBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429568701 533749758 /nfs/dbraw/zinc/74/97/58/533749758.db2.gz OWKPTSUTFMEHRX-AAEUAGOBSA-N 1 0 316.361 3.265 20 5 DGBDRO COc1cccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000430219130 533774677 /nfs/dbraw/zinc/77/46/77/533774677.db2.gz KXQVWEPZGJTNQY-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO C[C@@H]1C[C@H](C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000443657114 533782658 /nfs/dbraw/zinc/78/26/58/533782658.db2.gz QOTMQMTUUUNJGM-ZIAGYGMSSA-N 1 0 319.405 3.291 20 5 DGBDRO Cc1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000415098993 533935569 /nfs/dbraw/zinc/93/55/69/533935569.db2.gz XEMVEZQIHNSUCA-SFHVURJKSA-N 1 0 311.385 3.050 20 5 DGBDRO COc1cc(F)cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000294718941 534009542 /nfs/dbraw/zinc/00/95/42/534009542.db2.gz JXVRALKZPFLNQD-JTQLQIEISA-N 1 0 319.336 3.176 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177578508 534298622 /nfs/dbraw/zinc/29/86/22/534298622.db2.gz BSSTXXCNNUZDIF-MGPQQGTHSA-N 1 0 317.389 3.044 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+](C)C2CCCCC2)n1 ZINC000316799099 534328044 /nfs/dbraw/zinc/32/80/44/534328044.db2.gz IRGUVOKZTHEHSM-UHFFFAOYSA-N 1 0 306.410 3.365 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000443637838 534339178 /nfs/dbraw/zinc/33/91/78/534339178.db2.gz CEFSXULYWALEBC-STQMWFEESA-N 1 0 319.405 3.210 20 5 DGBDRO CC(C)(O)c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000295391549 527367603 /nfs/dbraw/zinc/36/76/03/527367603.db2.gz LHFZMBGUZSXMJM-UHFFFAOYSA-N 1 0 314.385 3.155 20 5 DGBDRO CC(C)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444748199 527779520 /nfs/dbraw/zinc/77/95/20/527779520.db2.gz HKFAUZBUZNHMLU-KGLIPLIRSA-N 1 0 319.405 3.290 20 5 DGBDRO CC[N@H+](C)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000171983023 527798243 /nfs/dbraw/zinc/79/82/43/527798243.db2.gz UJIQOXISJNOVNZ-UHFFFAOYSA-N 1 0 307.397 3.070 20 5 DGBDRO CC1(C)OCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000294455088 527811393 /nfs/dbraw/zinc/81/13/93/527811393.db2.gz VVZLZPDSAPJOED-GFCCVEGCSA-N 1 0 318.295 3.271 20 5 DGBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430236831 527959246 /nfs/dbraw/zinc/95/92/46/527959246.db2.gz BYLDHZOAKIILOR-KRWDZBQOSA-N 1 0 322.405 3.385 20 5 DGBDRO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000319020626 527980689 /nfs/dbraw/zinc/98/06/89/527980689.db2.gz WGKCORJAVKZHJC-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000320463680 528282203 /nfs/dbraw/zinc/28/22/03/528282203.db2.gz LSCKDCBUTLFVCU-MRXNPFEDSA-N 1 0 314.389 3.485 20 5 DGBDRO CC(C)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000444754624 528670419 /nfs/dbraw/zinc/67/04/19/528670419.db2.gz UTUBBAFEAMVVDP-UONOGXRCSA-N 1 0 319.405 3.290 20 5 DGBDRO CCOc1cccc(NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000413351431 528674003 /nfs/dbraw/zinc/67/40/03/528674003.db2.gz ZQEILXUQJFBSNY-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO CCOc1cccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433809733 528674524 /nfs/dbraw/zinc/67/45/24/528674524.db2.gz AZXYATXBFZJHAQ-CQSZACIVSA-N 1 0 319.405 3.422 20 5 DGBDRO CCOc1cccc(N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000302094561 528674783 /nfs/dbraw/zinc/67/47/83/528674783.db2.gz RHACUVUHIXOSHW-CYBMUJFWSA-N 1 0 307.394 3.280 20 5 DGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000320009751 528832891 /nfs/dbraw/zinc/83/28/91/528832891.db2.gz VGDNXSPMLUETTL-LBPRGKRZSA-N 1 0 302.378 3.284 20 5 DGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413292365 528833244 /nfs/dbraw/zinc/83/32/44/528833244.db2.gz ANOOJSUKSUIKNO-LBPRGKRZSA-N 1 0 302.378 3.284 20 5 DGBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000428839288 528916205 /nfs/dbraw/zinc/91/62/05/528916205.db2.gz LEXBACPNKNCRMP-CQSZACIVSA-N 1 0 302.378 3.263 20 5 DGBDRO CCC[C@@H]([NH2+]CCc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000318581398 529010005 /nfs/dbraw/zinc/01/00/05/529010005.db2.gz RZVYEELOTUBTDB-MRXNPFEDSA-N 1 0 302.378 3.002 20 5 DGBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413184726 529089999 /nfs/dbraw/zinc/08/99/99/529089999.db2.gz KHWLQANZCKARLA-DOMZBBRYSA-N 1 0 314.389 3.284 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441184646 529274129 /nfs/dbraw/zinc/27/41/29/529274129.db2.gz PSXHQVLDMCZYOR-CYBMUJFWSA-N 1 0 308.378 3.247 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429785927 529312300 /nfs/dbraw/zinc/31/23/00/529312300.db2.gz LFDOZNAMLBGMMK-UPJWGTAASA-N 1 0 305.378 3.090 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000449181503 535807969 /nfs/dbraw/zinc/80/79/69/535807969.db2.gz HUCQPJIYHOQRPN-XJKSGUPXSA-N 1 0 306.406 3.321 20 5 DGBDRO CC[C@]1(C)CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000468122517 535908193 /nfs/dbraw/zinc/90/81/93/535908193.db2.gz WOHZFYLQSXCTLM-MRXNPFEDSA-N 1 0 308.378 3.104 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000449543223 535935567 /nfs/dbraw/zinc/93/55/67/535935567.db2.gz NXOPOOCJAJIKPX-LQKXBSAESA-N 1 0 306.406 3.055 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CCc3c2cccc3O)ccc1[N+](=O)[O-] ZINC000451181612 536810431 /nfs/dbraw/zinc/81/04/31/536810431.db2.gz VRHSMFFMRPTGIE-CQSZACIVSA-N 1 0 314.341 3.086 20 5 DGBDRO C[C@@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741016663 574523784 /nfs/dbraw/zinc/52/37/84/574523784.db2.gz IZHLZYVULRZQHW-TUAOUCFPSA-N 1 0 324.352 3.038 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000732182433 574567434 /nfs/dbraw/zinc/56/74/34/574567434.db2.gz BRAUWTSVYJOARW-CYBMUJFWSA-N 1 0 302.378 3.394 20 5 DGBDRO CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000741011569 574948430 /nfs/dbraw/zinc/94/84/30/574948430.db2.gz FOMKKECBQNCFNG-INIZCTEOSA-N 1 0 320.389 3.149 20 5 DGBDRO Cc1c(COC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000741016965 574948697 /nfs/dbraw/zinc/94/86/97/574948697.db2.gz KTMNTUCJTDJXFH-BZPMIXESSA-N 1 0 320.389 3.208 20 5 DGBDRO CC1(C)[C@@H]2C[N@@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C[C@@H]21 ZINC000742165366 574983500 /nfs/dbraw/zinc/98/35/00/574983500.db2.gz SZVJYNYYZAVVLQ-IYBDPMFKSA-N 1 0 312.373 3.004 20 5 DGBDRO Cn1cc(C(C)(C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000742374289 574993663 /nfs/dbraw/zinc/99/36/63/574993663.db2.gz UYNVEKDUIOWKAJ-UHFFFAOYSA-N 1 0 308.769 3.007 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cccn2)CC1 ZINC000743849451 575065170 /nfs/dbraw/zinc/06/51/70/575065170.db2.gz PUNKVBMWNBNIJG-ZDUSSCGKSA-N 1 0 300.362 3.189 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1Cl ZINC000749556663 575664455 /nfs/dbraw/zinc/66/44/55/575664455.db2.gz CFTZWGYKYMVEOH-ZIAGYGMSSA-N 1 0 324.808 3.497 20 5 DGBDRO Cc1nn(C[N@H+](C)CC2CCCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749937714 575689937 /nfs/dbraw/zinc/68/99/37/575689937.db2.gz OATOSEBYBDBECC-UHFFFAOYSA-N 1 0 317.393 3.118 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000750252418 575714397 /nfs/dbraw/zinc/71/43/97/575714397.db2.gz KGRJHUDSAZXKKK-NWDGAFQWSA-N 1 0 310.781 3.107 20 5 DGBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)C ZINC000726972111 576089728 /nfs/dbraw/zinc/08/97/28/576089728.db2.gz XQWDBNLUAPPXOX-UHFFFAOYSA-N 1 0 313.785 3.165 20 5 DGBDRO CC[N@@H+]1CC[C@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000749319707 576093278 /nfs/dbraw/zinc/09/32/78/576093278.db2.gz AIGQXUNQQQBFCM-QWRGUYRKSA-N 1 0 313.348 3.182 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000728783055 576201856 /nfs/dbraw/zinc/20/18/56/576201856.db2.gz YTDRXOYGFFOYTQ-AWEZNQCLSA-N 1 0 300.358 3.460 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC(c3ccon3)CC2)cc1F ZINC000852673158 620639394 /nfs/dbraw/zinc/63/93/94/620639394.db2.gz MFVQFFOMCRROTB-UHFFFAOYSA-N 1 0 305.309 3.102 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C3CCC3)C2)cc1 ZINC000852674150 620639935 /nfs/dbraw/zinc/63/99/35/620639935.db2.gz XWXQDPHORJFCIW-NVXWUHKLSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000852761206 620646521 /nfs/dbraw/zinc/64/65/21/620646521.db2.gz IJEANZWPYNTFRP-WHDUELSGSA-N 1 0 324.380 3.249 20 5 DGBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000853132606 620672559 /nfs/dbraw/zinc/67/25/59/620672559.db2.gz AJPZWLQGGMJGIQ-GFCCVEGCSA-N 1 0 320.311 3.196 20 5 DGBDRO C[C@H]1CCC[N@H+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000111193908 620680641 /nfs/dbraw/zinc/68/06/41/620680641.db2.gz VHQZTMHPWOEYGG-NSHDSACASA-N 1 0 320.418 3.348 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000111390684 620706033 /nfs/dbraw/zinc/70/60/33/620706033.db2.gz OJXXEBPGABDFCR-OAHLLOKOSA-N 1 0 312.369 3.423 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853535018 620707419 /nfs/dbraw/zinc/70/74/19/620707419.db2.gz RCDHJLJQVOESLV-LBPRGKRZSA-N 1 0 313.348 3.453 20 5 DGBDRO CCC(=O)c1ccc(N2CCC[N@@H+](CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000853684646 620725050 /nfs/dbraw/zinc/72/50/50/620725050.db2.gz GPRNILSGCDYYPS-CYBMUJFWSA-N 1 0 319.405 3.108 20 5 DGBDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000926302073 617932378 /nfs/dbraw/zinc/93/23/78/617932378.db2.gz IGEDHIONNNAWOT-MFKMUULPSA-N 1 0 318.295 3.128 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000853748016 620732697 /nfs/dbraw/zinc/73/26/97/620732697.db2.gz GISPYHRHYGNAEP-CYBMUJFWSA-N 1 0 305.378 3.082 20 5 DGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000804813748 617675040 /nfs/dbraw/zinc/67/50/40/617675040.db2.gz TXZDCGVNYODHED-YPMHNXCESA-N 1 0 309.797 3.311 20 5 DGBDRO C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840875461 618051527 /nfs/dbraw/zinc/05/15/27/618051527.db2.gz FMUNSLAGTIJADQ-LLVKDONJSA-N 1 0 307.394 3.033 20 5 DGBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000894481651 618346420 /nfs/dbraw/zinc/34/64/20/618346420.db2.gz YTTHGNRMBXBOIU-ZZKXABKFSA-N 1 0 318.295 3.030 20 5 DGBDRO CC(C)C[C@H](CCO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893083119 618417992 /nfs/dbraw/zinc/41/79/92/618417992.db2.gz KCHKJGCQTNCXSO-LBPRGKRZSA-N 1 0 314.813 3.383 20 5 DGBDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000893123879 618435308 /nfs/dbraw/zinc/43/53/08/618435308.db2.gz PHXDBPSRUIURRU-MRXNPFEDSA-N 1 0 320.776 3.380 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCO[C@@H]1CCCCO1 ZINC000894799896 618460235 /nfs/dbraw/zinc/46/02/35/618460235.db2.gz PUHPHCPJIKRWEK-WMLDXEAASA-N 1 0 322.405 3.049 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C2(C3CCC3)CCC2)c1[N+](=O)[O-] ZINC000894864761 618482819 /nfs/dbraw/zinc/48/28/19/618482819.db2.gz RVGMGBZFPTXAJU-UHFFFAOYSA-N 1 0 306.362 3.121 20 5 DGBDRO Cc1noc2ncc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12 ZINC000894867988 618483961 /nfs/dbraw/zinc/48/39/61/618483961.db2.gz ORPGGAWLQUCECH-JTQLQIEISA-N 1 0 312.329 3.290 20 5 DGBDRO Cc1ncoc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000894906225 618496773 /nfs/dbraw/zinc/49/67/73/618496773.db2.gz ZZQMZWHPORMFRS-CQSZACIVSA-N 1 0 301.346 3.271 20 5 DGBDRO CC1=NO[C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000895310421 618592910 /nfs/dbraw/zinc/59/29/10/618592910.db2.gz GTCCOYRUTHRHDB-OAHLLOKOSA-N 1 0 315.329 3.109 20 5 DGBDRO CCC[C@@H](NCc1cc(N)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000925772236 618614052 /nfs/dbraw/zinc/61/40/52/618614052.db2.gz RBJWIUJZXDXILR-MRXNPFEDSA-N 1 0 300.362 3.203 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H]3CCc4ccccc43)nc2c1 ZINC000894056393 618701032 /nfs/dbraw/zinc/70/10/32/618701032.db2.gz HEIDVJMIWCRQQI-CYBMUJFWSA-N 1 0 322.368 3.291 20 5 DGBDRO COc1c(O)ccc(C[N@H+](CC2CC2)C2CCC2)c1[N+](=O)[O-] ZINC000894188185 618726229 /nfs/dbraw/zinc/72/62/29/618726229.db2.gz LMLIVMKBHLQSHE-UHFFFAOYSA-N 1 0 306.362 3.074 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2CCCO)cc1 ZINC000924956378 618748991 /nfs/dbraw/zinc/74/89/91/618748991.db2.gz WAOPZYRAQPPFMP-NVXWUHKLSA-N 1 0 306.406 3.058 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1CSC1 ZINC000895422248 618783270 /nfs/dbraw/zinc/78/32/70/618783270.db2.gz XGQPWGCNMMRMLD-UKRRQHHQSA-N 1 0 306.431 3.259 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000895539825 618796711 /nfs/dbraw/zinc/79/67/11/618796711.db2.gz HOVYLNKPTCKGKP-OTCDBFHCSA-N 1 0 318.295 3.128 20 5 DGBDRO COc1c(O)ccc(C[NH2+]Cc2csc(C)c2C)c1[N+](=O)[O-] ZINC000895740507 618824858 /nfs/dbraw/zinc/82/48/58/618824858.db2.gz NXJSIBGBKOYKLY-UHFFFAOYSA-N 1 0 322.386 3.277 20 5 DGBDRO C[NH+](C)CC[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1cccnc1 ZINC000895893492 618846675 /nfs/dbraw/zinc/84/66/75/618846675.db2.gz XQFMCIVCSMLXDH-CQSZACIVSA-N 1 0 318.352 3.234 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CCC[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC000895930999 618850674 /nfs/dbraw/zinc/85/06/74/618850674.db2.gz UPDCNYYQTLHACM-LBPRGKRZSA-N 1 0 306.362 3.145 20 5 DGBDRO CC1([NH+]2CCC2)CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000896255651 618892731 /nfs/dbraw/zinc/89/27/31/618892731.db2.gz RFBDOBCLWDGSPW-UHFFFAOYSA-N 1 0 324.812 3.462 20 5 DGBDRO C[NH+]1CCC2(CCN2c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000897132957 619021101 /nfs/dbraw/zinc/02/11/01/619021101.db2.gz DLRPZLSJPULSTD-UHFFFAOYSA-N 1 0 311.332 3.207 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@@H]2CCC3(CCC3)O2)cc1 ZINC000897245728 619036359 /nfs/dbraw/zinc/03/63/59/619036359.db2.gz HSNCQNNGCGGEQL-INIZCTEOSA-N 1 0 304.390 3.219 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000925151502 619053182 /nfs/dbraw/zinc/05/31/82/619053182.db2.gz CAMQZWXIJPWHKV-AWEZNQCLSA-N 1 0 317.776 3.463 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897459142 619129966 /nfs/dbraw/zinc/12/99/66/619129966.db2.gz IMMNDRQTPYPVTF-LBPRGKRZSA-N 1 0 314.389 3.099 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cnn(C2CCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000897459944 619129993 /nfs/dbraw/zinc/12/99/93/619129993.db2.gz POLQHEWAZBMNTJ-ZDUSSCGKSA-N 1 0 314.389 3.410 20 5 DGBDRO COc1cnc(F)c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897460809 619130185 /nfs/dbraw/zinc/13/01/85/619130185.db2.gz IWYMAQGVXCAHEB-LLVKDONJSA-N 1 0 319.336 3.031 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)CSCCF)c1ccccc1[N+](=O)[O-] ZINC000897459694 619130354 /nfs/dbraw/zinc/13/03/54/619130354.db2.gz BUOKZMMXIKOCKX-RYUDHWBXSA-N 1 0 300.399 3.379 20 5 DGBDRO CC[C@@H]1C[C@H](C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000897466397 619130954 /nfs/dbraw/zinc/13/09/54/619130954.db2.gz SZLNVUARPLQFKL-RRFJBIMHSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@@H](C[NH2+]Cc1nc2ccccc2n1C)c1ccccc1[N+](=O)[O-] ZINC000897469173 619131505 /nfs/dbraw/zinc/13/15/05/619131505.db2.gz FLRAYAYVWDNXSO-ZDUSSCGKSA-N 1 0 324.384 3.375 20 5 DGBDRO C[C@H](C[NH2+]Cc1nc2ccccc2n1C)c1ccccc1[N+](=O)[O-] ZINC000897469172 619131581 /nfs/dbraw/zinc/13/15/81/619131581.db2.gz FLRAYAYVWDNXSO-CYBMUJFWSA-N 1 0 324.384 3.375 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CCO)C1CCCC1 ZINC000897885024 619191648 /nfs/dbraw/zinc/19/16/48/619191648.db2.gz CHPGOKRTYOTTJM-MEMKZHQFSA-N 1 0 304.390 3.139 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898062234 619209925 /nfs/dbraw/zinc/20/99/25/619209925.db2.gz MIWAKUZXTNHHCE-YLQAJVPDSA-N 1 0 314.385 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898172439 619220510 /nfs/dbraw/zinc/22/05/10/619220510.db2.gz ISLWROZCHDTJMU-UHFFFAOYSA-N 1 0 320.776 3.073 20 5 DGBDRO CCC[C@@H](O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000927018803 619256914 /nfs/dbraw/zinc/25/69/14/619256914.db2.gz OSTBYWYMLCWSSC-CVEARBPZSA-N 1 0 306.406 3.057 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000898386353 619269993 /nfs/dbraw/zinc/26/99/93/619269993.db2.gz KAHIWFZWRZNAGG-CVEARBPZSA-N 1 0 304.390 3.233 20 5 DGBDRO O=C(CC[N@@H+]1CC[C@H]1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000899912648 619383254 /nfs/dbraw/zinc/38/32/54/619383254.db2.gz MWNGPHNQCDMEFE-HNNXBMFYSA-N 1 0 317.389 3.188 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000899937852 619384440 /nfs/dbraw/zinc/38/44/40/619384440.db2.gz RQXRPSCYHXSJAO-ZDUSSCGKSA-N 1 0 305.378 3.023 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000903001058 619703339 /nfs/dbraw/zinc/70/33/39/619703339.db2.gz PHJOIUDMWMYFOT-ARFFOQMASA-N 1 0 302.374 3.059 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cn(C)nc2C)cc([N+](=O)[O-])c1 ZINC000903090777 619714607 /nfs/dbraw/zinc/71/46/07/619714607.db2.gz HFXVWJTVBJRBBD-GHMZBOCLSA-N 1 0 318.377 3.057 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)nc2)cc([N+](=O)[O-])c1 ZINC000903071578 619715432 /nfs/dbraw/zinc/71/54/32/619715432.db2.gz DRFPTJCISVTLHT-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903103508 619717158 /nfs/dbraw/zinc/71/71/58/619717158.db2.gz JAJBRYUDZSTMGW-STQMWFEESA-N 1 0 310.394 3.053 20 5 DGBDRO CCC1(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CCOCC1 ZINC000903105484 619717550 /nfs/dbraw/zinc/71/75/50/619717550.db2.gz SMKGFJRYCMDRAB-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)C[C@H](C)O)cc([N+](=O)[O-])c1 ZINC000903119652 619721090 /nfs/dbraw/zinc/72/10/90/619721090.db2.gz JTJYAARTYSZQEF-RYUDHWBXSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2cnc(C)s2)cc([N+](=O)[O-])c1 ZINC000903125692 619722009 /nfs/dbraw/zinc/72/20/09/619722009.db2.gz NTVSOVIEASEKFF-JTQLQIEISA-N 1 0 321.402 3.262 20 5 DGBDRO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1[N+](=O)[O-] ZINC000903131634 619723310 /nfs/dbraw/zinc/72/33/10/619723310.db2.gz JMNJLDWBQUDPTI-WPXLMEDKSA-N 1 0 315.417 3.403 20 5 DGBDRO COCC1(CC[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CCC1 ZINC000903173947 619729962 /nfs/dbraw/zinc/72/99/62/619729962.db2.gz AKIRTMSVOOOPMQ-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000903181244 619731819 /nfs/dbraw/zinc/73/18/19/619731819.db2.gz OCYBBDBXTTVSDE-BIMULSAOSA-N 1 0 318.295 3.355 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903193949 619733628 /nfs/dbraw/zinc/73/36/28/619733628.db2.gz IHVLQFGRCKOYQN-SCRDCRAPSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H](C)c2ccccn2)cc([N+](=O)[O-])c1 ZINC000903195841 619734124 /nfs/dbraw/zinc/73/41/24/619734124.db2.gz BIVCFEYWGRAUKK-OLZOCXBDSA-N 1 0 315.373 3.453 20 5 DGBDRO C[C@@H](NCc1cc(N(C)C)cc[nH+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000903196902 619734400 /nfs/dbraw/zinc/73/44/00/619734400.db2.gz HHMOIYHUKPSRAS-LLVKDONJSA-N 1 0 318.352 3.046 20 5 DGBDRO COc1cc([C@H](C)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903199624 619735123 /nfs/dbraw/zinc/73/51/23/619735123.db2.gz KWYPVUMHBLGKFR-JSGCOSHPSA-N 1 0 321.421 3.127 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCOC2(C)C)cc([N+](=O)[O-])c1 ZINC000903202796 619735911 /nfs/dbraw/zinc/73/59/11/619735911.db2.gz GGFNMFPMGUDNKR-AAEUAGOBSA-N 1 0 308.378 3.069 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000903189305 619737118 /nfs/dbraw/zinc/73/71/18/619737118.db2.gz AMLQZZQATCBZEK-KNXALSJPSA-N 1 0 310.394 3.050 20 5 DGBDRO COCC(C)(C)CC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903217230 619740206 /nfs/dbraw/zinc/74/02/06/619740206.db2.gz RUPCLYNKLQTWBN-LBPRGKRZSA-N 1 0 310.394 3.317 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CC(C)(C)CO2)cc([N+](=O)[O-])c1 ZINC000903216965 619740409 /nfs/dbraw/zinc/74/04/09/619740409.db2.gz LUJMYYJJBUKKSR-IAQYHMDHSA-N 1 0 308.378 3.069 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])nn1C ZINC000903244746 619743189 /nfs/dbraw/zinc/74/31/89/619743189.db2.gz CNCXPUSFSVYCLR-WCQYABFASA-N 1 0 302.378 3.091 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000903245692 619743581 /nfs/dbraw/zinc/74/35/81/619743581.db2.gz OACGBFIXCUDHAH-STQMWFEESA-N 1 0 315.373 3.453 20 5 DGBDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244945 619743692 /nfs/dbraw/zinc/74/36/92/619743692.db2.gz GUQOPJKDQZQRLE-KBMXLJTQSA-N 1 0 306.406 3.349 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCOC12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000903245808 619743704 /nfs/dbraw/zinc/74/37/04/619743704.db2.gz JGQIHAXQCDREMG-BBRMVZONSA-N 1 0 304.390 3.390 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000903253762 619745206 /nfs/dbraw/zinc/74/52/06/619745206.db2.gz RJKDUSHTMMKEFM-HZUKXOBISA-N 1 0 320.389 3.212 20 5 DGBDRO CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246414 619747806 /nfs/dbraw/zinc/74/78/06/619747806.db2.gz UZHMOGFBNQUFIW-HOCLYGCPSA-N 1 0 316.405 3.209 20 5 DGBDRO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246413 619747856 /nfs/dbraw/zinc/74/78/56/619747856.db2.gz UZHMOGFBNQUFIW-GOEBONIOSA-N 1 0 316.405 3.209 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903298822 619752942 /nfs/dbraw/zinc/75/29/42/619752942.db2.gz XWCGVSSYRVCFQJ-RISCZKNCSA-N 1 0 310.369 3.326 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903286108 619754229 /nfs/dbraw/zinc/75/42/29/619754229.db2.gz BKMNPPLBFSBXGG-FZOZBAORSA-N 1 0 320.414 3.143 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000903287467 619754471 /nfs/dbraw/zinc/75/44/71/619754471.db2.gz PHJOIUDMWMYFOT-QVJNKELMSA-N 1 0 302.374 3.059 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC[C@H]1C ZINC000903395592 619766924 /nfs/dbraw/zinc/76/69/24/619766924.db2.gz MOHTXXGIEWFROP-UPJWGTAASA-N 1 0 310.419 3.090 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2cccnc2C)cc([N+](=O)[O-])c1 ZINC000903418826 619773352 /nfs/dbraw/zinc/77/33/52/619773352.db2.gz OLWZKUPHXDCKJH-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCSC3(CCC3)C2)c1 ZINC000905600273 620008695 /nfs/dbraw/zinc/00/86/95/620008695.db2.gz JCKPKBQDYXDWHU-HIFRSBDPSA-N 1 0 322.430 3.036 20 5 DGBDRO Cc1cccc([C@@H](O)C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000905643375 620016298 /nfs/dbraw/zinc/01/62/98/620016298.db2.gz LGNBGHFDUJJOTA-KDOFPFPSSA-N 1 0 314.385 3.330 20 5 DGBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000905644888 620016349 /nfs/dbraw/zinc/01/63/49/620016349.db2.gz SXMKQWWWSQUMPU-YVEFUNNKSA-N 1 0 318.348 3.161 20 5 DGBDRO CC(=O)c1ccc(OCC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000906504075 620103434 /nfs/dbraw/zinc/10/34/34/620103434.db2.gz UYDXOJMDKTXDDK-AWEZNQCLSA-N 1 0 306.362 3.051 20 5 DGBDRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000907220024 620144122 /nfs/dbraw/zinc/14/41/22/620144122.db2.gz DGFAQPSVNAKTGY-CYBMUJFWSA-N 1 0 319.405 3.037 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)cc1 ZINC000921685861 620933541 /nfs/dbraw/zinc/93/35/41/620933541.db2.gz BFTRKORWRYFRFG-UHFFFAOYSA-N 1 0 320.780 3.181 20 5 DGBDRO Cc1c(C[NH2+]Cc2cnn(CC3CCC3)c2)cccc1[N+](=O)[O-] ZINC000922048137 620983491 /nfs/dbraw/zinc/98/34/91/620983491.db2.gz CHACBEAFFFZXBF-UHFFFAOYSA-N 1 0 314.389 3.190 20 5 DGBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C ZINC000922556907 621057344 /nfs/dbraw/zinc/05/73/44/621057344.db2.gz JYCIWMBWEGKEQQ-MLGOLLRUSA-N 1 0 315.373 3.037 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]23CCC[C@H]2OCC3)c(Cl)c1 ZINC000922691624 621082899 /nfs/dbraw/zinc/08/28/99/621082899.db2.gz CTDRDZALUFZOFA-HUUCEWRRSA-N 1 0 310.781 3.297 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c(F)c1 ZINC000922804552 621101085 /nfs/dbraw/zinc/10/10/85/621101085.db2.gz CGCLVJFJROWPHW-AWEZNQCLSA-N 1 0 308.353 3.315 20 5 DGBDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000922864546 621111006 /nfs/dbraw/zinc/11/10/06/621111006.db2.gz DZMFHKBHAHKESI-WDEREUQCSA-N 1 0 322.390 3.028 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857865761 621125579 /nfs/dbraw/zinc/12/55/79/621125579.db2.gz PMSZSLFXVKQMED-CYBMUJFWSA-N 1 0 320.780 3.181 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c(F)c1 ZINC000922898352 621128638 /nfs/dbraw/zinc/12/86/38/621128638.db2.gz UYDKILHMEARSEF-XJKSGUPXSA-N 1 0 308.353 3.029 20 5 DGBDRO Cn1nc(C2CC2)cc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000922947316 621135407 /nfs/dbraw/zinc/13/54/07/621135407.db2.gz GXMWNZFRUXSSSH-GQCTYLIASA-N 1 0 312.373 3.009 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000922950689 621136646 /nfs/dbraw/zinc/13/66/46/621136646.db2.gz CDIXFHDPHNDWSU-ZDUSSCGKSA-N 1 0 322.405 3.287 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@]1(c2ccccc2)CCCO1 ZINC000922961264 621139639 /nfs/dbraw/zinc/13/96/39/621139639.db2.gz ZPXWHTYLKDDEJR-SFHVURJKSA-N 1 0 312.369 3.390 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H]2OCCc3ccccc32)c1 ZINC000922964289 621140868 /nfs/dbraw/zinc/14/08/68/621140868.db2.gz RHXKDFIWMYFJHO-GOSISDBHSA-N 1 0 312.369 3.389 20 5 DGBDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000858249556 621168092 /nfs/dbraw/zinc/16/80/92/621168092.db2.gz SHMORVORSGHVKY-WKILWMFISA-N 1 0 304.393 3.347 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533957 621192424 /nfs/dbraw/zinc/19/24/24/621192424.db2.gz PJYMDGMVQCWYTP-PBHICJAKSA-N 1 0 303.406 3.182 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000858683658 621214328 /nfs/dbraw/zinc/21/43/28/621214328.db2.gz VUXFULCSVAOHMU-CQSZACIVSA-N 1 0 304.394 3.117 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000753849976 621468867 /nfs/dbraw/zinc/46/88/67/621468867.db2.gz GQOXVSZTXZWQSD-GHMZBOCLSA-N 1 0 302.334 3.018 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1Cl ZINC000862522751 621596396 /nfs/dbraw/zinc/59/63/96/621596396.db2.gz FVUONAYNEQIUPV-AWEZNQCLSA-N 1 0 323.824 3.355 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000758210330 621766319 /nfs/dbraw/zinc/76/63/19/621766319.db2.gz LRIQKIAVFKVTES-NSHDSACASA-N 1 0 320.418 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC34CCCC4)CC2)cc1 ZINC000760039831 621912157 /nfs/dbraw/zinc/91/21/57/621912157.db2.gz GEMQPYRKFRTVSH-QGZVFWFLSA-N 1 0 315.417 3.486 20 5 DGBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865509303 621939294 /nfs/dbraw/zinc/93/92/94/621939294.db2.gz WQUDLGKXMRQNMQ-UHFFFAOYSA-N 1 0 313.348 3.310 20 5 DGBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC000760669661 621957147 /nfs/dbraw/zinc/95/71/47/621957147.db2.gz LKSLBOIOWWOSNS-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO COC(C)(C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000865756015 621989246 /nfs/dbraw/zinc/98/92/46/621989246.db2.gz VWDVFYWCQZYUGX-UHFFFAOYSA-N 1 0 318.320 3.101 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccnn2CC2CCC2)cc1[N+](=O)[O-] ZINC000865786765 621995660 /nfs/dbraw/zinc/99/56/60/621995660.db2.gz BPIMBBSSPFDZAQ-UHFFFAOYSA-N 1 0 314.389 3.190 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccnn2CC(C)C)cc1[N+](=O)[O-] ZINC000865787459 621995960 /nfs/dbraw/zinc/99/59/60/621995960.db2.gz NHJGNKVANJEXDM-UHFFFAOYSA-N 1 0 302.378 3.046 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCn3nccc32)ccc1Cl ZINC000865872524 622012773 /nfs/dbraw/zinc/01/27/73/622012773.db2.gz XZUFZMIDPCIJIF-LBPRGKRZSA-N 1 0 306.753 3.069 20 5 DGBDRO C[C@@H]1CCCCN1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761522373 622014282 /nfs/dbraw/zinc/01/42/82/622014282.db2.gz OSQIKVLLTUGBHE-GFCCVEGCSA-N 1 0 311.813 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCNc2ccccc2)cc1Cl ZINC000761528139 622014811 /nfs/dbraw/zinc/01/48/11/622014811.db2.gz ZWJQJKANGDPPOM-UHFFFAOYSA-N 1 0 305.765 3.450 20 5 DGBDRO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000866054716 622038644 /nfs/dbraw/zinc/03/86/44/622038644.db2.gz HJRUBPLFKKDDPJ-UHFFFAOYSA-N 1 0 307.369 3.046 20 5 DGBDRO C[NH+]1CCC2(CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000866055298 622039220 /nfs/dbraw/zinc/03/92/20/622039220.db2.gz UHHJHOHDCSAQEO-UHFFFAOYSA-N 1 0 307.369 3.046 20 5 DGBDRO CCC1([NH+](C)C)CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000866060537 622039529 /nfs/dbraw/zinc/03/95/29/622039529.db2.gz FLODIQKCSGHNLB-UHFFFAOYSA-N 1 0 321.421 3.222 20 5 DGBDRO CC(C)[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000866085085 622043699 /nfs/dbraw/zinc/04/36/99/622043699.db2.gz MKDCQKXAEOCZIQ-UHFFFAOYSA-N 1 0 310.373 3.051 20 5 DGBDRO CC(=O)c1ccc(NC2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000866148439 622055086 /nfs/dbraw/zinc/05/50/86/622055086.db2.gz AYKNJHZORNENBU-UHFFFAOYSA-N 1 0 319.405 3.472 20 5 DGBDRO C[NH+](C)C1(C)CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000866148730 622055389 /nfs/dbraw/zinc/05/53/89/622055389.db2.gz QTMASOBXBFEVDE-UHFFFAOYSA-N 1 0 312.801 3.318 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)CCc2cccnc2)cc1[N+](=O)[O-] ZINC000866250139 622075881 /nfs/dbraw/zinc/07/58/81/622075881.db2.gz VDQNBICASQGZDI-ZDUSSCGKSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CCSCC1 ZINC000866265367 622079884 /nfs/dbraw/zinc/07/98/84/622079884.db2.gz KGAKIWHBZBCSLX-NSHDSACASA-N 1 0 312.410 3.398 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccsc1 ZINC000866270625 622081054 /nfs/dbraw/zinc/08/10/54/622081054.db2.gz QMZXFWQDVMPABJ-BONVTDFDSA-N 1 0 324.377 3.050 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866275087 622082872 /nfs/dbraw/zinc/08/28/72/622082872.db2.gz XDKSOSIYUGHDBR-IAGOWNOFSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccncc1 ZINC000866283009 622084687 /nfs/dbraw/zinc/08/46/87/622084687.db2.gz UEGXGYCHWQBMEU-STQMWFEESA-N 1 0 317.364 3.453 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C1CCOCC1 ZINC000866285084 622084771 /nfs/dbraw/zinc/08/47/71/622084771.db2.gz DEJDNWLJAPJKEN-RYUDHWBXSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCc1nccs1 ZINC000866300976 622088672 /nfs/dbraw/zinc/08/86/72/622088672.db2.gz XQBJJLAAOKTNHO-LLVKDONJSA-N 1 0 323.393 3.344 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)CC(C)(C)C ZINC000866308129 622090164 /nfs/dbraw/zinc/09/01/64/622090164.db2.gz QNEAAZOHQOWABC-SMDDNHRTSA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOCC1CCC1 ZINC000866340844 622097767 /nfs/dbraw/zinc/09/77/67/622097767.db2.gz TZCBHYXNHMEHRE-GFCCVEGCSA-N 1 0 310.369 3.071 20 5 DGBDRO Cc1cccc(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866350802 622100361 /nfs/dbraw/zinc/10/03/61/622100361.db2.gz CIYUPQDSOLRSSL-ZDUSSCGKSA-N 1 0 317.364 3.201 20 5 DGBDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000866378411 622106534 /nfs/dbraw/zinc/10/65/34/622106534.db2.gz PYFCQDCAIOOPKX-NILFDRSVSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CCCOC1 ZINC000866396096 622110288 /nfs/dbraw/zinc/11/02/88/622110288.db2.gz MPLYHYZTLLJHHD-CHWSQXEVSA-N 1 0 310.369 3.071 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]2CCSC2)n1 ZINC000866402486 622111889 /nfs/dbraw/zinc/11/18/89/622111889.db2.gz JYCIYFURVIKPTA-MGPQQGTHSA-N 1 0 324.450 3.008 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@@H]2CCSC2)n1 ZINC000866402482 622112089 /nfs/dbraw/zinc/11/20/89/622112089.db2.gz JYCIYFURVIKPTA-HZSPNIEDSA-N 1 0 324.450 3.008 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000866510825 622129967 /nfs/dbraw/zinc/12/99/67/622129967.db2.gz QFTDFKDJVBCKNH-MJEQTWJJSA-N 1 0 304.390 3.451 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866539878 622135201 /nfs/dbraw/zinc/13/52/01/622135201.db2.gz RKCOZAMAQBRVPD-JQFCIGGWSA-N 1 0 316.401 3.234 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000866541281 622135396 /nfs/dbraw/zinc/13/53/96/622135396.db2.gz XPKCMCYVPLLVRO-GFCCVEGCSA-N 1 0 316.357 3.468 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@H](C4CC4)C3)c2)cc1 ZINC000763331814 622138646 /nfs/dbraw/zinc/13/86/46/622138646.db2.gz JAYPEFHGPAEQJP-HNNXBMFYSA-N 1 0 312.373 3.148 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1ccc([N+](=O)[O-])cc1 ZINC000866562322 622138730 /nfs/dbraw/zinc/13/87/30/622138730.db2.gz RIIGPKULKVWKEC-UGSOOPFHSA-N 1 0 311.385 3.432 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000866634186 622150852 /nfs/dbraw/zinc/15/08/52/622150852.db2.gz BUSNEVDHLSZKKJ-OBJOEFQTSA-N 1 0 310.394 3.194 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@H](O)C1CCCC1 ZINC000866638343 622152423 /nfs/dbraw/zinc/15/24/23/622152423.db2.gz GCJAQEVXMZEDSK-RDJZCZTQSA-N 1 0 304.390 3.113 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000763620205 622155156 /nfs/dbraw/zinc/15/51/56/622155156.db2.gz RPOKPQKOJUBXHH-ZDUSSCGKSA-N 1 0 311.813 3.164 20 5 DGBDRO Cc1nn(CN2CCS[C@@H](C)[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121199862 622158570 /nfs/dbraw/zinc/15/85/70/622158570.db2.gz QQBYCGXRJYUVTA-RYUDHWBXSA-N 1 0 320.418 3.036 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000866710035 622158919 /nfs/dbraw/zinc/15/89/19/622158919.db2.gz WIYGGNNRXINLNS-QGZVFWFLSA-N 1 0 305.422 3.100 20 5 DGBDRO Cc1nn(C[N@@H+](CC(C)C)C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764877037 622229261 /nfs/dbraw/zinc/22/92/61/622229261.db2.gz FDUUNXWHMJYMTM-UHFFFAOYSA-N 1 0 302.378 3.331 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC3(CCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765072357 622244019 /nfs/dbraw/zinc/24/40/19/622244019.db2.gz ASHUJGMXAWPJQB-UHFFFAOYSA-N 1 0 300.362 3.086 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000765263295 622255620 /nfs/dbraw/zinc/25/56/20/622255620.db2.gz UIUYISWBIQSYAV-CVEARBPZSA-N 1 0 322.405 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000765846803 622290705 /nfs/dbraw/zinc/29/07/05/622290705.db2.gz YMAULTNGCJECKV-SJORKVTESA-N 1 0 316.332 3.044 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000765844372 622291021 /nfs/dbraw/zinc/29/10/21/622291021.db2.gz FVORNRHLPKMACT-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765850675 622291227 /nfs/dbraw/zinc/29/12/27/622291227.db2.gz ZCMDXNMXKMFRLS-RDTXWAMCSA-N 1 0 314.385 3.157 20 5 DGBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848604 622291307 /nfs/dbraw/zinc/29/13/07/622291307.db2.gz IOMKBRMKUOWGJG-KCXAZCMYSA-N 1 0 306.406 3.433 20 5 DGBDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765850674 622291343 /nfs/dbraw/zinc/29/13/43/622291343.db2.gz ZCMDXNMXKMFRLS-KSSFIOAISA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000766375317 622325169 /nfs/dbraw/zinc/32/51/69/622325169.db2.gz UGMNKJBTEZJSMI-NEPJUHHUSA-N 1 0 302.378 3.188 20 5 DGBDRO CC1(O)CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000766474611 622332517 /nfs/dbraw/zinc/33/25/17/622332517.db2.gz AODCWUVCEMLPPK-UPTPFMHGSA-N 1 0 318.417 3.199 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)ccc1Cl ZINC000768548392 622464299 /nfs/dbraw/zinc/46/42/99/622464299.db2.gz BFYAFQCMDGJSBI-JSGCOSHPSA-N 1 0 310.781 3.249 20 5 DGBDRO OC[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000769397603 622524180 /nfs/dbraw/zinc/52/41/80/622524180.db2.gz PHWJNRPGFPCZBW-QGZVFWFLSA-N 1 0 307.393 3.186 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016320 622752316 /nfs/dbraw/zinc/75/23/16/622752316.db2.gz HYYWSZZHBXJAOB-NHYWBVRUSA-N 1 0 304.321 3.118 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCCC1 ZINC000872018224 622754455 /nfs/dbraw/zinc/75/44/55/622754455.db2.gz JYKSQLWBAPFXCB-LBPRGKRZSA-N 1 0 309.435 3.063 20 5 DGBDRO CC[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000872019914 622755122 /nfs/dbraw/zinc/75/51/22/622755122.db2.gz BRBRDXHEKKWNDI-QWHCGFSZSA-N 1 0 309.385 3.259 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)c1ccco1 ZINC000872021098 622756303 /nfs/dbraw/zinc/75/63/03/622756303.db2.gz OFPVDFDUOUDKOY-GXFFZTMASA-N 1 0 322.386 3.294 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021701 622756377 /nfs/dbraw/zinc/75/63/77/622756377.db2.gz SPYLFJSZNPRCST-MEBBXXQBSA-N 1 0 322.311 3.257 20 5 DGBDRO Cc1csc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872021821 622756533 /nfs/dbraw/zinc/75/65/33/622756533.db2.gz RKJCRYKMVLVUJF-JTQLQIEISA-N 1 0 309.366 3.392 20 5 DGBDRO C[C@@H]([NH2+]CCCCn1ccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872023784 622757275 /nfs/dbraw/zinc/75/72/75/622757275.db2.gz KSUULNXLBMWCJM-GFCCVEGCSA-N 1 0 306.341 3.061 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000872024828 622758252 /nfs/dbraw/zinc/75/82/52/622758252.db2.gz WFQCGXIPVXXBSJ-NWDGAFQWSA-N 1 0 310.419 3.394 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872024972 622759356 /nfs/dbraw/zinc/75/93/56/622759356.db2.gz XRUVQVKQYJAIHW-WBMJQRKESA-N 1 0 318.348 3.427 20 5 DGBDRO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026168 622760053 /nfs/dbraw/zinc/76/00/53/622760053.db2.gz YKABPRKGIINMRS-STQMWFEESA-N 1 0 323.462 3.309 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028107 622760708 /nfs/dbraw/zinc/76/07/08/622760708.db2.gz NVMDVAAYXXPBAG-BMIGLBTASA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028111 622761039 /nfs/dbraw/zinc/76/10/39/622761039.db2.gz NVMDVAAYXXPBAG-MEBBXXQBSA-N 1 0 322.311 3.257 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000872028737 622761739 /nfs/dbraw/zinc/76/17/39/622761739.db2.gz SNEVAKBSZZPWRK-YPMHNXCESA-N 1 0 309.435 3.062 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872032001 622763793 /nfs/dbraw/zinc/76/37/93/622763793.db2.gz OVESBYNCDDTEHK-CQSZACIVSA-N 1 0 320.389 3.185 20 5 DGBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000872038615 622767662 /nfs/dbraw/zinc/76/76/62/622767662.db2.gz NJTSFFUXRBNTEA-GDBMZVCRSA-N 1 0 306.406 3.321 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000872040045 622768587 /nfs/dbraw/zinc/76/85/87/622768587.db2.gz WLHBTXPZJSWRLH-SDDRHHMPSA-N 1 0 310.419 3.392 20 5 DGBDRO Cc1nccn1CCCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039150 622768738 /nfs/dbraw/zinc/76/87/38/622768738.db2.gz RAYKABSLVGAJRI-GFCCVEGCSA-N 1 0 320.368 3.370 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(O)ccc1F ZINC000872039114 622768994 /nfs/dbraw/zinc/76/89/94/622768994.db2.gz QNNVGYASFVMKIW-LLVKDONJSA-N 1 0 304.321 3.333 20 5 DGBDRO C[C@@H]([NH2+]CCNc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042724 622770757 /nfs/dbraw/zinc/77/07/57/622770757.db2.gz REELWIOSTWUTQQ-GFCCVEGCSA-N 1 0 303.337 3.497 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1c(F)cccc1[N+](=O)[O-] ZINC000872045228 622772230 /nfs/dbraw/zinc/77/22/30/622772230.db2.gz YRFVHJCORYIEHU-MDHDOXDCSA-N 1 0 308.353 3.342 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048554 622774619 /nfs/dbraw/zinc/77/46/19/622774619.db2.gz JMFNIVAPFFUFOS-RISCZKNCSA-N 1 0 310.369 3.326 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000872050658 622776549 /nfs/dbraw/zinc/77/65/49/622776549.db2.gz AYLYBTYRLFOMFX-GVXVVHGQSA-N 1 0 310.419 3.271 20 5 DGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(O)c1F ZINC000872050784 622776745 /nfs/dbraw/zinc/77/67/45/622776745.db2.gz FOHRYUPMUOBGHU-LLVKDONJSA-N 1 0 304.321 3.333 20 5 DGBDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872063441 622783988 /nfs/dbraw/zinc/78/39/88/622783988.db2.gz PRPQXUVCYINXBH-XLMCQVRKSA-N 1 0 310.419 3.294 20 5 DGBDRO CCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)COC1 ZINC000872075829 622791369 /nfs/dbraw/zinc/79/13/69/622791369.db2.gz GPMRHZKPHGRKPR-NSHDSACASA-N 1 0 310.419 3.394 20 5 DGBDRO Cc1cccnc1CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076198 622792061 /nfs/dbraw/zinc/79/20/61/622792061.db2.gz JMKDKKUZGLMFSC-LBPRGKRZSA-N 1 0 303.337 3.331 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)C1CCC1 ZINC000872078823 622792688 /nfs/dbraw/zinc/79/26/88/622792688.db2.gz SESAEPVCMQZMMA-YGRLFVJLSA-N 1 0 310.419 3.128 20 5 DGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])nc1 ZINC000872077894 622792702 /nfs/dbraw/zinc/79/27/02/622792702.db2.gz NGPISOAHOBZAII-LBPRGKRZSA-N 1 0 303.337 3.331 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000872079154 622794158 /nfs/dbraw/zinc/79/41/58/622794158.db2.gz VLTIWUQUVOIOKE-COPLHBTASA-N 1 0 310.419 3.128 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)CC1CC1 ZINC000872085843 622796845 /nfs/dbraw/zinc/79/68/45/622796845.db2.gz QARNULVECGJGHD-DGCLKSJQSA-N 1 0 324.446 3.376 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C1(CO)CC1 ZINC000872086737 622797622 /nfs/dbraw/zinc/79/76/22/622797622.db2.gz YVMNJWSZNDZPIM-MNOVXSKESA-N 1 0 310.419 3.128 20 5 DGBDRO Cc1cc(N2CC[C@H](C(C)(C)O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000872782196 622977250 /nfs/dbraw/zinc/97/72/50/622977250.db2.gz LCOANLSXGBDQJB-LBPRGKRZSA-N 1 0 315.373 3.049 20 5 DGBDRO Cc1c(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000873008925 623017175 /nfs/dbraw/zinc/01/71/75/623017175.db2.gz VWEMUXDWICPXPO-UHFFFAOYSA-N 1 0 305.422 3.302 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873051428 623025881 /nfs/dbraw/zinc/02/58/81/623025881.db2.gz BQDJDPRPDCHAPB-SJKOYZFVSA-N 1 0 318.348 3.254 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000873107698 623037069 /nfs/dbraw/zinc/03/70/69/623037069.db2.gz PUDQJDYHIOTMFV-WMLDXEAASA-N 1 0 304.390 3.259 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000873192711 623068766 /nfs/dbraw/zinc/06/87/66/623068766.db2.gz GBQXBVCXDAXVKX-IAGOWNOFSA-N 1 0 300.358 3.197 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000774133844 623110580 /nfs/dbraw/zinc/11/05/80/623110580.db2.gz HYGBIUZGBRARDP-KSSFIOAISA-N 1 0 317.433 3.436 20 5 DGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000774620740 623167131 /nfs/dbraw/zinc/16/71/31/623167131.db2.gz VRMKFUAAWIPIEU-XHDPSFHLSA-N 1 0 302.378 3.331 20 5 DGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000775060340 623223594 /nfs/dbraw/zinc/22/35/94/623223594.db2.gz JCERKKUMYPSYKY-GFCCVEGCSA-N 1 0 305.334 3.291 20 5 DGBDRO CCCCCC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000775596958 623294395 /nfs/dbraw/zinc/29/43/95/623294395.db2.gz LEPDSVOAAGPBBL-AWEZNQCLSA-N 1 0 321.421 3.284 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000775644706 623302120 /nfs/dbraw/zinc/30/21/20/623302120.db2.gz OHQACNZPEUGBFZ-CQSZACIVSA-N 1 0 311.813 3.163 20 5 DGBDRO CCS[C@H]1CCCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581690 623443038 /nfs/dbraw/zinc/44/30/38/623443038.db2.gz HMDPKIXXXJPWFD-HOTGVXAUSA-N 1 0 324.446 3.236 20 5 DGBDRO CCS[C@H]1CCCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581692 623443481 /nfs/dbraw/zinc/44/34/81/623443481.db2.gz HMDPKIXXXJPWFD-JKSUJKDBSA-N 1 0 324.446 3.236 20 5 DGBDRO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588096 623444105 /nfs/dbraw/zinc/44/41/05/623444105.db2.gz KQMDSLLSTAVINM-ARFHVFGLSA-N 1 0 324.446 3.234 20 5 DGBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000776591239 623445247 /nfs/dbraw/zinc/44/52/47/623445247.db2.gz HZCDDFHBMDEETR-BVGQSLNGSA-N 1 0 312.369 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc(F)nc2)cc1 ZINC000778173829 623620539 /nfs/dbraw/zinc/62/05/39/623620539.db2.gz YPVIWSWCSCGNMP-UHFFFAOYSA-N 1 0 303.337 3.241 20 5 DGBDRO C[C@@](O)(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000778214633 623626075 /nfs/dbraw/zinc/62/60/75/623626075.db2.gz OWDHGYFTEQXGAS-QGZVFWFLSA-N 1 0 318.348 3.121 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCCc3ccccc3)C2)c1 ZINC000876907569 623741681 /nfs/dbraw/zinc/74/16/81/623741681.db2.gz GSDOESUNKLIQHO-UHFFFAOYSA-N 1 0 314.389 3.107 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](c3cccs3)C3CC3)C2)c1 ZINC000876909292 623742064 /nfs/dbraw/zinc/74/20/64/623742064.db2.gz WTDAMGJUDKUILA-QOZQQMKHSA-N 1 0 318.402 3.297 20 5 DGBDRO CCC1CCC(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877018789 623767577 /nfs/dbraw/zinc/76/75/77/623767577.db2.gz AOFIGUJDRYWSRZ-UHFFFAOYSA-N 1 0 306.410 3.301 20 5 DGBDRO CC1(C)CCC(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877124003 623796642 /nfs/dbraw/zinc/79/66/42/623796642.db2.gz REHFXUZOIFLPRP-UHFFFAOYSA-N 1 0 306.410 3.301 20 5 DGBDRO Cc1cc(Cl)nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000877498505 623912997 /nfs/dbraw/zinc/91/29/97/623912997.db2.gz QGAPPGJGHPXBRN-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000877527799 623925033 /nfs/dbraw/zinc/92/50/33/623925033.db2.gz RQGIOVFEPXWQHP-SFHVURJKSA-N 1 0 314.385 3.425 20 5 DGBDRO COCC1(C2CCC2)C[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877625057 623967525 /nfs/dbraw/zinc/96/75/25/623967525.db2.gz HECHQPBSGLWYGJ-UHFFFAOYSA-N 1 0 318.417 3.460 20 5 DGBDRO CC(C)(O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877796275 624037049 /nfs/dbraw/zinc/03/70/49/624037049.db2.gz BRVAQCTWFXKREX-SBJJXXPASA-N 1 0 304.390 3.091 20 5 DGBDRO C[C@H]1CC[C@]2(CC[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000781586654 624098805 /nfs/dbraw/zinc/09/88/05/624098805.db2.gz NBFZNSYTFSMMSQ-GUYCJALGSA-N 1 0 314.389 3.414 20 5 DGBDRO C[C@@H]1CC[C@]2(CC[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000781586653 624099034 /nfs/dbraw/zinc/09/90/34/624099034.db2.gz NBFZNSYTFSMMSQ-DYVFJYSZSA-N 1 0 314.389 3.414 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C(C)(C)C1 ZINC000878158538 624193735 /nfs/dbraw/zinc/19/37/35/624193735.db2.gz IXDGXWJLBQCCCT-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782502699 624257270 /nfs/dbraw/zinc/25/72/70/624257270.db2.gz FPCHKYIUKQOSDA-RYUDHWBXSA-N 1 0 323.368 3.183 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000782530509 624260291 /nfs/dbraw/zinc/26/02/91/624260291.db2.gz HCUBFJDPTJZNEO-OAHLLOKOSA-N 1 0 324.739 3.211 20 5 DGBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782653662 624270515 /nfs/dbraw/zinc/27/05/15/624270515.db2.gz KHAAKSFXLLQDBO-OLZOCXBDSA-N 1 0 320.311 3.195 20 5 DGBDRO C[C@H]1CCCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878450821 624281588 /nfs/dbraw/zinc/28/15/88/624281588.db2.gz ANUPQTCRHYWVFP-LBPRGKRZSA-N 1 0 316.361 3.267 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000782944875 624293229 /nfs/dbraw/zinc/29/32/29/624293229.db2.gz LKBMYMXKPFJPMO-UONOGXRCSA-N 1 0 312.369 3.497 20 5 DGBDRO Cc1nn(C[N@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000782957635 624294833 /nfs/dbraw/zinc/29/48/33/624294833.db2.gz XTXCBCUAXWLJEN-XJKSGUPXSA-N 1 0 314.389 3.244 20 5 DGBDRO CCC1([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCCC1 ZINC000878665685 624335030 /nfs/dbraw/zinc/33/50/30/624335030.db2.gz LEKHSMMVPOHIJG-UHFFFAOYSA-N 1 0 316.361 3.457 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000783306972 624336743 /nfs/dbraw/zinc/33/67/43/624336743.db2.gz SBFXODCRXGKARD-UKRRQHHQSA-N 1 0 303.406 3.342 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000783309413 624337467 /nfs/dbraw/zinc/33/74/67/624337467.db2.gz IQMBWXFDQAOZNO-JSGCOSHPSA-N 1 0 306.362 3.337 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C ZINC000127391684 624377504 /nfs/dbraw/zinc/37/75/04/624377504.db2.gz CBKRPHSGOVEINX-XUSGNXJCSA-N 1 0 312.435 3.101 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)cs1 ZINC000879241784 624458282 /nfs/dbraw/zinc/45/82/82/624458282.db2.gz NTAXYSRWTFUOFO-GDBMZVCRSA-N 1 0 318.398 3.354 20 5 DGBDRO CCC1([NH+](C)C)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000879286211 624484442 /nfs/dbraw/zinc/48/44/42/624484442.db2.gz NRGSSNVMAQECIU-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO COC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880037284 624762814 /nfs/dbraw/zinc/76/28/14/624762814.db2.gz HZMOIKQPNJHEMM-KGLIPLIRSA-N 1 0 320.389 3.321 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880313385 624910353 /nfs/dbraw/zinc/91/03/53/624910353.db2.gz MELGZBNMKNKSOM-LLVKDONJSA-N 1 0 319.386 3.049 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)c1ccsc1 ZINC000786813859 624955941 /nfs/dbraw/zinc/95/59/41/624955941.db2.gz NGTCQUAEOWGULN-FGLWMGOFSA-N 1 0 318.398 3.383 20 5 DGBDRO CCCN(CCC[NH+](C)C)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000786827496 624956928 /nfs/dbraw/zinc/95/69/28/624956928.db2.gz OOMGTMAOUAIBBS-UHFFFAOYSA-N 1 0 322.434 3.373 20 5 DGBDRO CC(C)C(N)=[NH+]OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000786893902 624962498 /nfs/dbraw/zinc/96/24/98/624962498.db2.gz PCLLEFXNASJCKR-UHFFFAOYSA-N 1 0 316.155 3.012 20 5 DGBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787305559 624999458 /nfs/dbraw/zinc/99/94/58/624999458.db2.gz IRMJIVWWUUDWFI-BZUAXINKSA-N 1 0 324.446 3.282 20 5 DGBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000805839438 625014034 /nfs/dbraw/zinc/01/40/34/625014034.db2.gz JOXLKGVLKLCUGZ-CQSZACIVSA-N 1 0 314.332 3.138 20 5 DGBDRO CC1(C)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCS1 ZINC000788376996 625144127 /nfs/dbraw/zinc/14/41/27/625144127.db2.gz SLAOOHJSGLLTKC-UHFFFAOYSA-N 1 0 320.418 3.120 20 5 DGBDRO C[C@H]([NH2+]CC1Cc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788643568 625235227 /nfs/dbraw/zinc/23/52/27/625235227.db2.gz KMFIWAHSFUYDFO-LBPRGKRZSA-N 1 0 311.385 3.243 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC000788647450 625235604 /nfs/dbraw/zinc/23/56/04/625235604.db2.gz UHVLJJIAOQRTRK-OLZOCXBDSA-N 1 0 315.373 3.295 20 5 DGBDRO C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788664203 625238403 /nfs/dbraw/zinc/23/84/03/625238403.db2.gz IKIAEFJRQGHCAT-YLQAJVPDSA-N 1 0 311.385 3.459 20 5 DGBDRO Cc1ccsc1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788687086 625243080 /nfs/dbraw/zinc/24/30/80/625243080.db2.gz AXUANUGRCKBYCE-LLVKDONJSA-N 1 0 305.403 3.440 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000790995887 625733154 /nfs/dbraw/zinc/73/31/54/625733154.db2.gz DWUKYWIORFFAJD-PBHICJAKSA-N 1 0 306.406 3.444 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000130329847 625839138 /nfs/dbraw/zinc/83/91/38/625839138.db2.gz GAYAKXBWMYFIME-DOMZBBRYSA-N 1 0 304.346 3.098 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000026234456 625862580 /nfs/dbraw/zinc/86/25/80/625862580.db2.gz IKEDWALSGCBBSV-MRXNPFEDSA-N 1 0 314.389 3.073 20 5 DGBDRO CCOC(=O)C1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000792195280 625923883 /nfs/dbraw/zinc/92/38/83/625923883.db2.gz KLOPXHOYTPKOHJ-UHFFFAOYSA-N 1 0 320.389 3.116 20 5 DGBDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000796481047 626054894 /nfs/dbraw/zinc/05/48/94/626054894.db2.gz HALUSYXAPPTCLM-SJCJKPOMSA-N 1 0 318.348 3.254 20 5 DGBDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000796492891 626056240 /nfs/dbraw/zinc/05/62/40/626056240.db2.gz YXGWGXGFSFDEOR-RDTXWAMCSA-N 1 0 314.385 3.423 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798962948 626264153 /nfs/dbraw/zinc/26/41/53/626264153.db2.gz UBEZGRZDRZEWQQ-GMNBZTITSA-N 1 0 309.369 3.493 20 5 DGBDRO CCCCC[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000799992449 626341305 /nfs/dbraw/zinc/34/13/05/626341305.db2.gz VSIFBMDYWPGIEX-CYBMUJFWSA-N 1 0 307.394 3.482 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000801576067 626410668 /nfs/dbraw/zinc/41/06/68/626410668.db2.gz QPGOEKVTBYJSSH-OAHLLOKOSA-N 1 0 316.332 3.217 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC1(Cl)Cl ZINC000801600749 626411902 /nfs/dbraw/zinc/41/19/02/626411902.db2.gz UEUWHFAOGBDBEM-LLVKDONJSA-N 1 0 303.189 3.263 20 5 DGBDRO CC(C)(C)SCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000801912574 626425457 /nfs/dbraw/zinc/42/54/57/626425457.db2.gz WJUGVZALSXSGAY-UHFFFAOYSA-N 1 0 323.462 3.249 20 5 DGBDRO CC[NH+](CC)CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000803615355 626624975 /nfs/dbraw/zinc/62/49/75/626624975.db2.gz RCRMOPOPTDTLQL-UHFFFAOYSA-N 1 0 307.394 3.173 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883271157 626631030 /nfs/dbraw/zinc/63/10/30/626631030.db2.gz GYILMNFREYXAEM-MGPQQGTHSA-N 1 0 324.446 3.480 20 5 DGBDRO C[C@H](OC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000803854848 626644220 /nfs/dbraw/zinc/64/42/20/626644220.db2.gz BITLOWCSQNNXIY-UONOGXRCSA-N 1 0 320.389 3.464 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000803861233 626645353 /nfs/dbraw/zinc/64/53/53/626645353.db2.gz WOFLUUMPTSTQTC-CQSZACIVSA-N 1 0 324.352 3.042 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000883320302 626646334 /nfs/dbraw/zinc/64/63/34/626646334.db2.gz HVCXIFBVIODDCU-DIECFANBSA-N 1 0 318.417 3.321 20 5 DGBDRO C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000883340966 626653795 /nfs/dbraw/zinc/65/37/95/626653795.db2.gz DSBWWZDJZNMIRT-GOSISDBHSA-N 1 0 312.369 3.173 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883363354 626661685 /nfs/dbraw/zinc/66/16/85/626661685.db2.gz BAFBDHTUBGXART-ZDUSSCGKSA-N 1 0 310.781 3.440 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883370557 626664576 /nfs/dbraw/zinc/66/45/76/626664576.db2.gz NSMJAKRONSXUOQ-YQIFSTGGSA-N 1 0 302.374 3.299 20 5 DGBDRO CC1CC[NH+](CCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804331253 626670312 /nfs/dbraw/zinc/67/03/12/626670312.db2.gz KXLYTZTWYMTXIJ-UHFFFAOYSA-N 1 0 322.365 3.037 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000804349175 626672421 /nfs/dbraw/zinc/67/24/21/626672421.db2.gz JTZIGEIIYXECBY-STQMWFEESA-N 1 0 319.405 3.330 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804392331 626676182 /nfs/dbraw/zinc/67/61/82/626676182.db2.gz XTAKFYWFTTVWIK-GFCCVEGCSA-N 1 0 322.365 3.035 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H](C)[NH+]1CCCCC1 ZINC000804613390 626697562 /nfs/dbraw/zinc/69/75/62/626697562.db2.gz RIVYUWPHTBEVNK-ZDUSSCGKSA-N 1 0 319.405 3.474 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](CC(C)C)[NH+](C)C ZINC000807924544 626778060 /nfs/dbraw/zinc/77/80/60/626778060.db2.gz MQQPLQFBDPDMDU-AWEZNQCLSA-N 1 0 307.394 3.186 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](CC(C)C)[NH+](C)C ZINC000807924545 626778303 /nfs/dbraw/zinc/77/83/03/626778303.db2.gz MQQPLQFBDPDMDU-CQSZACIVSA-N 1 0 307.394 3.186 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000807986044 626782578 /nfs/dbraw/zinc/78/25/78/626782578.db2.gz QADCTFFCUSMRSA-LBPRGKRZSA-N 1 0 307.394 3.186 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000800088626 626804362 /nfs/dbraw/zinc/80/43/62/626804362.db2.gz SUHZGNBOYOIBDX-UHFFFAOYSA-N 1 0 314.769 3.137 20 5 DGBDRO C/C(=C/C(=O)OCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000800199592 626824108 /nfs/dbraw/zinc/82/41/08/626824108.db2.gz OGQXRTVOTZOZGY-YPKPFQOOSA-N 1 0 318.373 3.027 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000808454553 626826555 /nfs/dbraw/zinc/82/65/55/626826555.db2.gz LNGXSQKQOLDMCT-LBPRGKRZSA-N 1 0 313.829 3.458 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000809351683 626905653 /nfs/dbraw/zinc/90/56/53/626905653.db2.gz JCPVZCMYORESKA-UHFFFAOYSA-N 1 0 313.348 3.499 20 5 DGBDRO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000840181963 626922599 /nfs/dbraw/zinc/92/25/99/626922599.db2.gz MUYFTWWODQDDMO-SJORKVTESA-N 1 0 314.389 3.407 20 5 DGBDRO C[C@@H](O)c1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000809640811 626931237 /nfs/dbraw/zinc/93/12/37/626931237.db2.gz NNAKFBFNOLYFSI-SNVBAGLBSA-N 1 0 321.402 3.130 20 5 DGBDRO Cc1[nH]c(C2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884707473 626932164 /nfs/dbraw/zinc/93/21/64/626932164.db2.gz NAHAXFLUVPQBNX-UHFFFAOYSA-N 1 0 315.377 3.022 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000884717552 626934730 /nfs/dbraw/zinc/93/47/30/626934730.db2.gz FDKBXCZVGSCLDK-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000884717689 626934811 /nfs/dbraw/zinc/93/48/11/626934811.db2.gz JGGFTKJECBCFKI-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000884718238 626934904 /nfs/dbraw/zinc/93/49/04/626934904.db2.gz YVEUTJGOKXYICX-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO CC(C)CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809729423 626942358 /nfs/dbraw/zinc/94/23/58/626942358.db2.gz HTOTWHXOJUARJB-UHFFFAOYSA-N 1 0 313.829 3.268 20 5 DGBDRO CC1(C)CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000809733027 626942943 /nfs/dbraw/zinc/94/29/43/626942943.db2.gz OXBMKHHGMKYVNU-CZUORRHYSA-N 1 0 306.406 3.434 20 5 DGBDRO [NH3+]CCN(Cc1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000809734572 626943384 /nfs/dbraw/zinc/94/33/84/626943384.db2.gz IAIBXYDLJZLJDG-UHFFFAOYSA-N 1 0 311.794 3.275 20 5 DGBDRO Cc1ccc(F)cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735278 626943420 /nfs/dbraw/zinc/94/34/20/626943420.db2.gz YZAUGHKUWRLABM-UHFFFAOYSA-N 1 0 303.337 3.008 20 5 DGBDRO [NH3+]CCN(C[C@@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734951 626943444 /nfs/dbraw/zinc/94/34/44/626943444.db2.gz OLXDYXWKPBYEFW-MAUKXSAKSA-N 1 0 311.385 3.164 20 5 DGBDRO [NH3+]CCN(Cc1cncc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000809734695 626943554 /nfs/dbraw/zinc/94/35/54/626943554.db2.gz JYVOYFXGRLJYIY-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000886014489 627083446 /nfs/dbraw/zinc/08/34/46/627083446.db2.gz IMKRQMUPKXZXSF-CQSZACIVSA-N 1 0 315.348 3.194 20 5 DGBDRO CCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000886018560 627085590 /nfs/dbraw/zinc/08/55/90/627085590.db2.gz CFBQWSOSZSUNPD-RRFJBIMHSA-N 1 0 319.405 3.015 20 5 DGBDRO CCC1(CC)[C@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C[C@@H]1OC ZINC000886075157 627099413 /nfs/dbraw/zinc/09/94/13/627099413.db2.gz CXOHFAAZHPXAQU-KGLIPLIRSA-N 1 0 307.394 3.015 20 5 DGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000886131768 627109914 /nfs/dbraw/zinc/10/99/14/627109914.db2.gz HEODELVYADBQET-MKBNYLNASA-N 1 0 313.357 3.033 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886201417 627120331 /nfs/dbraw/zinc/12/03/31/627120331.db2.gz DLJWKPKHRZQDSB-DOTOQJQBSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886243004 627126654 /nfs/dbraw/zinc/12/66/54/627126654.db2.gz LRWYAKGOFBPPAM-GFCCVEGCSA-N 1 0 303.337 3.192 20 5 DGBDRO Cc1ccccc1[C@H](CO)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000886431566 627147602 /nfs/dbraw/zinc/14/76/02/627147602.db2.gz ARQWZFFEMYFKAL-AWEZNQCLSA-N 1 0 306.387 3.130 20 5 DGBDRO Cc1c(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)cccc1[N+](=O)[O-] ZINC000886599292 627170459 /nfs/dbraw/zinc/17/04/59/627170459.db2.gz VNTHFCDHJNXIRN-MRXNPFEDSA-N 1 0 302.378 3.124 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCc4cccnc43)c2c1 ZINC000886610473 627172442 /nfs/dbraw/zinc/17/24/42/627172442.db2.gz BXAWHRBZEYFZKE-KRWDZBQOSA-N 1 0 322.368 3.291 20 5 DGBDRO Cc1nc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)[nH]c1C ZINC000886668817 627184661 /nfs/dbraw/zinc/18/46/61/627184661.db2.gz ZUBPSSBVTFEDHL-UHFFFAOYSA-N 1 0 314.389 3.314 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(C2CC2)CCC1 ZINC000886825191 627208963 /nfs/dbraw/zinc/20/89/63/627208963.db2.gz OHZZQQKPMLIJFJ-LBPRGKRZSA-N 1 0 317.389 3.234 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1CCOCC1 ZINC000811477196 627279177 /nfs/dbraw/zinc/27/91/77/627279177.db2.gz ITDYDLVJMYGXIY-UHFFFAOYSA-N 1 0 319.188 3.418 20 5 DGBDRO C[C@](O)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000811479959 627279986 /nfs/dbraw/zinc/27/99/86/627279986.db2.gz OFGUNHXEWJLEQE-ZDUSSCGKSA-N 1 0 319.188 3.152 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000811867388 627331685 /nfs/dbraw/zinc/33/16/85/627331685.db2.gz MSPMORPTJDQGOP-LLVKDONJSA-N 1 0 310.354 3.035 20 5 DGBDRO COCC1(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000812828692 627426362 /nfs/dbraw/zinc/42/63/62/627426362.db2.gz GAXADROYHVUHOP-UHFFFAOYSA-N 1 0 312.797 3.497 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000815585670 627688313 /nfs/dbraw/zinc/68/83/13/627688313.db2.gz OVVDYMXMVALBLT-XHDPSFHLSA-N 1 0 307.394 3.033 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000924955494 627697205 /nfs/dbraw/zinc/69/72/05/627697205.db2.gz RJBDRTLJFIZGDF-MRXNPFEDSA-N 1 0 320.389 3.185 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000925152275 627713967 /nfs/dbraw/zinc/71/39/67/627713967.db2.gz HZKSWSALRDODBV-GOEBONIOSA-N 1 0 306.406 3.058 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN[C@H]1CCc2c1nccc2Cl ZINC000925310539 627729223 /nfs/dbraw/zinc/72/92/23/627729223.db2.gz NAGACSYXHHHDKK-ZDUSSCGKSA-N 1 0 303.749 3.420 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000925691605 627777237 /nfs/dbraw/zinc/77/72/37/627777237.db2.gz IWDHUWDUTQGOTA-GBJTYRQASA-N 1 0 304.390 3.451 20 5 DGBDRO CCC1([NH3+])CCN([C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000925761342 627790555 /nfs/dbraw/zinc/79/05/55/627790555.db2.gz ZWYYQEWEDLQYJP-INIZCTEOSA-N 1 0 303.406 3.176 20 5 DGBDRO COc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000926893282 627973359 /nfs/dbraw/zinc/97/33/59/627973359.db2.gz RNGXIMJSKLZRCJ-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926945069 627986643 /nfs/dbraw/zinc/98/66/43/627986643.db2.gz LQJFDWZKXGIPCF-VDDIYKPWSA-N 1 0 318.295 3.452 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000927065949 628006208 /nfs/dbraw/zinc/00/62/08/628006208.db2.gz BXLPGJJFWJJGKS-MJEQTWJJSA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927064333 628006374 /nfs/dbraw/zinc/00/63/74/628006374.db2.gz SKXFFQHHTFCNIH-NHYWBVRUSA-N 1 0 312.373 3.300 20 5 DGBDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000927067039 628007003 /nfs/dbraw/zinc/00/70/03/628007003.db2.gz NNJWLLBMSVNDOQ-MLGOLLRUSA-N 1 0 302.378 3.376 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927071535 628008374 /nfs/dbraw/zinc/00/83/74/628008374.db2.gz ZKZMGJDAVJIOHI-YLVFBTJISA-N 1 0 319.405 3.033 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2cccc(Cl)c2)c1 ZINC000818941887 628063478 /nfs/dbraw/zinc/06/34/78/628063478.db2.gz TZNDBJGTVDGQNY-INIZCTEOSA-N 1 0 320.776 3.114 20 5 DGBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000819018216 628078850 /nfs/dbraw/zinc/07/88/50/628078850.db2.gz QVQODEKMABOKPT-NVXWUHKLSA-N 1 0 315.373 3.154 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CSc3ccccc32)c1 ZINC000819082817 628088935 /nfs/dbraw/zinc/08/89/35/628088935.db2.gz VWQIAVFJRNVLIK-LSDHHAIUSA-N 1 0 316.382 3.065 20 5 DGBDRO Cc1cccc([C@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819097389 628091824 /nfs/dbraw/zinc/09/18/24/628091824.db2.gz FPSSDNNKWKDAQT-KDOFPFPSSA-N 1 0 314.385 3.330 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000819102868 628091851 /nfs/dbraw/zinc/09/18/51/628091851.db2.gz BLDDIWGXHPHUCP-YESZJQIVSA-N 1 0 304.390 3.187 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000819110651 628093803 /nfs/dbraw/zinc/09/38/03/628093803.db2.gz GAISTBKJTLQUJJ-INIZCTEOSA-N 1 0 320.776 3.114 20 5 DGBDRO Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000819114466 628094540 /nfs/dbraw/zinc/09/45/40/628094540.db2.gz WEEBFCWITUAIFF-SJKOYZFVSA-N 1 0 318.373 3.141 20 5 DGBDRO CC(C)CC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819150907 628101260 /nfs/dbraw/zinc/10/12/60/628101260.db2.gz TUBPEDHGCUWJML-ZDUSSCGKSA-N 1 0 300.786 3.135 20 5 DGBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1=CCCC1 ZINC000819361869 628141154 /nfs/dbraw/zinc/14/11/54/628141154.db2.gz KRLYSNYCLZABLR-INIZCTEOSA-N 1 0 304.390 3.354 20 5 DGBDRO Cc1c(-c2noc([C@H]3C[C@H](C)CC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000823269624 628544232 /nfs/dbraw/zinc/54/42/32/628544232.db2.gz JNAFSWHXKSCOGL-BXKDBHETSA-N 1 0 302.334 3.014 20 5 DGBDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000824596652 628675192 /nfs/dbraw/zinc/67/51/92/628675192.db2.gz JULGFDAMQKMUGA-HZMBPMFUSA-N 1 0 300.786 3.399 20 5 DGBDRO O[C@H]1COCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000824620123 628677761 /nfs/dbraw/zinc/67/77/61/628677761.db2.gz CSNBLDJJEWEJGO-QGZVFWFLSA-N 1 0 307.393 3.186 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000824845024 628699615 /nfs/dbraw/zinc/69/96/15/628699615.db2.gz GUGCMBJSLWKNJD-GDBMZVCRSA-N 1 0 324.808 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cc1Cl ZINC000824845374 628699625 /nfs/dbraw/zinc/69/96/25/628699625.db2.gz KHPDCYCJYHIKQH-CZUORRHYSA-N 1 0 324.808 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824847120 628699964 /nfs/dbraw/zinc/69/99/64/628699964.db2.gz WNSGFBPPLASUQT-GOEBONIOSA-N 1 0 324.808 3.135 20 5 DGBDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825090697 628725990 /nfs/dbraw/zinc/72/59/90/628725990.db2.gz DUEYHTHGSYVTJS-LBPRGKRZSA-N 1 0 312.797 3.231 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000825332391 628750665 /nfs/dbraw/zinc/75/06/65/628750665.db2.gz WIJYZBYHVUNYET-CYBMUJFWSA-N 1 0 311.813 3.163 20 5 DGBDRO C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000828263299 629039326 /nfs/dbraw/zinc/03/93/26/629039326.db2.gz AMFWRUFGDSXBHZ-NSHDSACASA-N 1 0 309.797 3.169 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1F ZINC000828906262 629107798 /nfs/dbraw/zinc/10/77/98/629107798.db2.gz VSHDBUJCLMCNHB-DZGCQCFKSA-N 1 0 308.353 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000829505632 629163864 /nfs/dbraw/zinc/16/38/64/629163864.db2.gz OPFYZSNOXGOXHR-CYBMUJFWSA-N 1 0 301.321 3.118 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000831307845 629360128 /nfs/dbraw/zinc/36/01/28/629360128.db2.gz GUZYCVIFISNXKL-CABCVRRESA-N 1 0 308.353 3.171 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCCCCCO)C2)cc1 ZINC000831539621 629388493 /nfs/dbraw/zinc/38/84/93/629388493.db2.gz SUJHLPUBLHHITD-INIZCTEOSA-N 1 0 306.406 3.327 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000831653892 629401356 /nfs/dbraw/zinc/40/13/56/629401356.db2.gz BRRJRYVYVBVBFS-GOEBONIOSA-N 1 0 312.385 3.113 20 5 DGBDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832727636 629508053 /nfs/dbraw/zinc/50/80/53/629508053.db2.gz VKCNPQUZHKZYQG-XJKSGUPXSA-N 1 0 306.406 3.386 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC(C3CCCCC3)C2)cc1 ZINC000834378903 629701677 /nfs/dbraw/zinc/70/16/77/629701677.db2.gz SWQOHRHFVMOURU-KRWDZBQOSA-N 1 0 304.390 3.140 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000834675259 629754137 /nfs/dbraw/zinc/75/41/37/629754137.db2.gz DNTNFHKRGPTJGU-UONOGXRCSA-N 1 0 310.781 3.295 20 5 DGBDRO CCc1nc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)co1 ZINC000834897698 629800976 /nfs/dbraw/zinc/80/09/76/629800976.db2.gz HJMOBSBYBIYSOT-HNNXBMFYSA-N 1 0 315.373 3.256 20 5 DGBDRO C[C@@H]1C[C@@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841004686 630394577 /nfs/dbraw/zinc/39/45/77/630394577.db2.gz XCUPITPEQFECIZ-NEPJUHHUSA-N 1 0 311.813 3.068 20 5 DGBDRO CC(C)C[C@@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841747799 630461974 /nfs/dbraw/zinc/46/19/74/630461974.db2.gz UDDKRLPGGLCYAO-NVXWUHKLSA-N 1 0 306.406 3.359 20 5 DGBDRO Cc1ccc(-c2noc([C@H](C(C)C)[C@@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000841824404 630469129 /nfs/dbraw/zinc/46/91/29/630469129.db2.gz NTQCVIVZFNUHKB-ZWNOBZJWSA-N 1 0 304.350 3.040 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H](C(C)C)[C@@H](C)[NH3+])n1 ZINC000841826934 630469663 /nfs/dbraw/zinc/46/96/63/630469663.db2.gz HIIGIGZMGDOHGI-MFKMUULPSA-N 1 0 304.350 3.040 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000841865846 630472163 /nfs/dbraw/zinc/47/21/63/630472163.db2.gz HNCOZCICVNYZHO-RYQLBKOJSA-N 1 0 312.369 3.022 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000842472971 630539745 /nfs/dbraw/zinc/53/97/45/630539745.db2.gz NPRHCIFTZUSAPL-MRXNPFEDSA-N 1 0 323.824 3.212 20 5 DGBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843052690 630609064 /nfs/dbraw/zinc/60/90/64/630609064.db2.gz DTLQABBNIWRPTF-YHWZYXNKSA-N 1 0 309.797 3.092 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)CC2(C)C)c1 ZINC000844300039 630716853 /nfs/dbraw/zinc/71/68/53/630716853.db2.gz IZCFLXVGWAGERW-LLVKDONJSA-N 1 0 306.362 3.002 20 5 DGBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844374127 630722350 /nfs/dbraw/zinc/72/23/50/630722350.db2.gz CWRGABKTYVAPBR-GWCFXTLKSA-N 1 0 300.786 3.135 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439472 630729656 /nfs/dbraw/zinc/72/96/56/630729656.db2.gz IDTXRSLQZDUSAW-CQSZACIVSA-N 1 0 312.316 3.225 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CNc3ccccc3C2)c1 ZINC000844904620 630973331 /nfs/dbraw/zinc/97/33/31/630973331.db2.gz AEZXJBNMJSMMHN-CYBMUJFWSA-N 1 0 317.776 3.375 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC000844909646 630975861 /nfs/dbraw/zinc/97/58/61/630975861.db2.gz OGDNQQXDFMVWNG-KGLIPLIRSA-N 1 0 314.345 3.156 20 5 DGBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846019378 631206493 /nfs/dbraw/zinc/20/64/93/631206493.db2.gz YXAINCUZUSJSGG-MFKMUULPSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846185937 631214093 /nfs/dbraw/zinc/21/40/93/631214093.db2.gz BLSKUSCBRKECQX-DIFFPNOSSA-N 1 0 319.405 3.033 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc2nonc2c1)c1cccc([N+](=O)[O-])c1 ZINC000846848029 631326932 /nfs/dbraw/zinc/32/69/32/631326932.db2.gz PJQHEYGRIOQZJF-AWEZNQCLSA-N 1 0 312.329 3.372 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000847039218 631387305 /nfs/dbraw/zinc/38/73/05/631387305.db2.gz YFRHZFRUGJMKSM-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000848482299 631668401 /nfs/dbraw/zinc/66/84/01/631668401.db2.gz MYXZWKMGUAYXAO-UHFFFAOYSA-N 1 0 312.373 3.292 20 5 DGBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848479788 631669126 /nfs/dbraw/zinc/66/91/26/631669126.db2.gz BQGIXXYLSOKSLN-QWHCGFSZSA-N 1 0 300.362 3.146 20 5 DGBDRO C[C@@](O)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccsc1 ZINC000848528083 631678704 /nfs/dbraw/zinc/67/87/04/631678704.db2.gz KCIRJJQANPCTTG-GDBMZVCRSA-N 1 0 318.398 3.141 20 5 DGBDRO C[C@](O)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccs1 ZINC000848528470 631678975 /nfs/dbraw/zinc/67/89/75/631678975.db2.gz MFIVUCSQTDFKIT-BBRMVZONSA-N 1 0 318.398 3.141 20 5 DGBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848531770 631681248 /nfs/dbraw/zinc/68/12/48/631681248.db2.gz WEMRRRDGINIOCL-IAGOWNOFSA-N 1 0 324.384 3.348 20 5 DGBDRO Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848531563 631681280 /nfs/dbraw/zinc/68/12/80/631681280.db2.gz SKSVBRMKHOOTIP-FUHWJXTLSA-N 1 0 312.369 3.214 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000848754241 631742235 /nfs/dbraw/zinc/74/22/35/631742235.db2.gz OWZBPOOKVPZUTM-DTORHVGOSA-N 1 0 301.749 3.139 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000850424488 632148819 /nfs/dbraw/zinc/14/88/19/632148819.db2.gz JNKKNQPVGADBJX-RYUDHWBXSA-N 1 0 304.346 3.478 20 5 DGBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850527462 632181445 /nfs/dbraw/zinc/18/14/45/632181445.db2.gz XPSCITKBVZLSFJ-FGDXXIHYSA-N 1 0 313.357 3.006 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1SCCS1)CCC2 ZINC000850561529 632194785 /nfs/dbraw/zinc/19/47/85/632194785.db2.gz OIFWRXSUEIGXIO-CYBMUJFWSA-N 1 0 310.444 3.368 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000852018735 632539902 /nfs/dbraw/zinc/53/99/02/632539902.db2.gz PTPRLZQKNPWYRR-HNNXBMFYSA-N 1 0 316.332 3.217 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(C3CCC3)CC2)cc1 ZINC000852407558 632600793 /nfs/dbraw/zinc/60/07/93/632600793.db2.gz CNJJIJUTYMSQEB-QGZVFWFLSA-N 1 0 304.390 3.140 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1CCO ZINC000852457311 632606166 /nfs/dbraw/zinc/60/61/66/632606166.db2.gz RJUZQQXKRSYDAM-IAQYHMDHSA-N 1 0 312.797 3.231 20 5 DGBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000793004374 660999837 /nfs/dbraw/zinc/99/98/37/660999837.db2.gz LJBZJJMALIORIB-HOTGVXAUSA-N 1 0 304.390 3.139 20 5 DGBDRO Cc1nn(C[N@@H+]2CC[C@@H](c3ccc(C)cc3C)C2)cc1[N+](=O)[O-] ZINC000794656207 661096742 /nfs/dbraw/zinc/09/67/42/661096742.db2.gz QDESHNYLRNCBJH-OAHLLOKOSA-N 1 0 314.389 3.164 20 5 DGBDRO CC(C)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000795240132 661135678 /nfs/dbraw/zinc/13/56/78/661135678.db2.gz LBQQPBUPNIEMAQ-INIZCTEOSA-N 1 0 318.348 3.292 20 5 DGBDRO CSCC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000932592366 655585388 /nfs/dbraw/zinc/58/53/88/655585388.db2.gz WZODWBBDRPNDHH-UHFFFAOYSA-N 1 0 310.419 3.049 20 5 DGBDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000795671179 661166726 /nfs/dbraw/zinc/16/67/26/661166726.db2.gz KIUZDTJXJAOKEL-QGZVFWFLSA-N 1 0 314.389 3.193 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933088329 655675564 /nfs/dbraw/zinc/67/55/64/655675564.db2.gz KPSSIHIHDBUCBD-CQSZACIVSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933916448 655738196 /nfs/dbraw/zinc/73/81/96/655738196.db2.gz RCJOHNUXMYQEMT-HNNXBMFYSA-N 1 0 310.394 3.451 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934333009 655768431 /nfs/dbraw/zinc/76/84/31/655768431.db2.gz JCRXFQLZSKMLLI-CYBMUJFWSA-N 1 0 303.387 3.116 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934688702 655795642 /nfs/dbraw/zinc/79/56/42/655795642.db2.gz WZXDISGZZSDHNF-MRXNPFEDSA-N 1 0 301.321 3.370 20 5 DGBDRO [NH3+]CC[C@@H]1CCCCN1c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000236166740 655948243 /nfs/dbraw/zinc/94/82/43/655948243.db2.gz MAQUIYLICQXBNB-VIFPVBQESA-N 1 0 301.749 3.095 20 5 DGBDRO [NH3+]CCN(Cc1ccccc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000261544883 656906438 /nfs/dbraw/zinc/90/64/38/656906438.db2.gz JHXJJCQICOSIMI-UHFFFAOYSA-N 1 0 319.792 3.209 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000178867562 657091638 /nfs/dbraw/zinc/09/16/38/657091638.db2.gz OSSIGPRUBMISGT-QGZVFWFLSA-N 1 0 312.369 3.297 20 5 DGBDRO O=C(NCC[NH2+]C1CCCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000261786814 657094783 /nfs/dbraw/zinc/09/47/83/657094783.db2.gz SQUIRDVPQYXDIX-UHFFFAOYSA-N 1 0 320.393 3.029 20 5 DGBDRO CCCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC[NH2+]CC1 ZINC000261929386 657204894 /nfs/dbraw/zinc/20/48/94/657204894.db2.gz LHOQUOFRSVGFRS-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO C[NH+](C)C1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000096832920 657557045 /nfs/dbraw/zinc/55/70/45/657557045.db2.gz LPAUKFBILZVQGC-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]21 ZINC000252644147 657603765 /nfs/dbraw/zinc/60/37/65/657603765.db2.gz NLGFTDGLEWHMDR-MLGOLLRUSA-N 1 0 323.824 3.164 20 5 DGBDRO O=[N+]([O-])c1cn(C[NH+]2CCCCCCC2)nc1-c1ccncc1 ZINC000172891597 659361681 /nfs/dbraw/zinc/36/16/81/659361681.db2.gz KAVXTTUBKLJBJW-UHFFFAOYSA-N 1 0 315.377 3.077 20 5 DGBDRO CC[NH+]1CCC(Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000233473216 659918924 /nfs/dbraw/zinc/91/89/24/659918924.db2.gz ZEGYUYWLBJCPCA-UHFFFAOYSA-N 1 0 301.749 3.284 20 5 DGBDRO Cc1cn(C)nc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000929338659 661298967 /nfs/dbraw/zinc/29/89/67/661298967.db2.gz YBCCSFUBTUUSHX-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2ccns2)C2CC2)c1 ZINC000929853984 661344901 /nfs/dbraw/zinc/34/49/01/661344901.db2.gz QJNBQXAPFBHOII-UHFFFAOYSA-N 1 0 303.387 3.258 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2ccns2)C2CC2)cc1 ZINC000930141108 661370882 /nfs/dbraw/zinc/37/08/82/661370882.db2.gz QRJYJTJUVBIOMH-UHFFFAOYSA-N 1 0 303.387 3.258 20 5 DGBDRO C[C@@H]([NH2+]CCOC1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000930235259 661380922 /nfs/dbraw/zinc/38/09/22/661380922.db2.gz KYLPSDJWIDZQGV-GFCCVEGCSA-N 1 0 310.419 3.158 20 5 DGBDRO Cc1cccc([C@@H](O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000930554647 661410183 /nfs/dbraw/zinc/41/01/83/661410183.db2.gz MKPCJIMPYLKXCW-KRWDZBQOSA-N 1 0 314.385 3.462 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932144583 661542170 /nfs/dbraw/zinc/54/21/70/661542170.db2.gz JGRJEONFMGVOCZ-ZDUSSCGKSA-N 1 0 314.389 3.269 20 5 DGBDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932277528 661556073 /nfs/dbraw/zinc/55/60/73/661556073.db2.gz VODDGSRULFSVRH-WMLDXEAASA-N 1 0 314.389 3.059 20 5 DGBDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932277846 661556133 /nfs/dbraw/zinc/55/61/33/661556133.db2.gz LEPSFQHXNYFHMK-HOCLYGCPSA-N 1 0 314.389 3.059 20 5 DGBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932560844 661579381 /nfs/dbraw/zinc/57/93/81/661579381.db2.gz TVOWBHGNQBKDAK-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932560843 661579520 /nfs/dbraw/zinc/57/95/20/661579520.db2.gz TVOWBHGNQBKDAK-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1csc(C[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000933133430 661619511 /nfs/dbraw/zinc/61/95/11/661619511.db2.gz YQSUXEPTNZNRCY-CQSZACIVSA-N 1 0 317.414 3.424 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H](CCO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000934009004 661673746 /nfs/dbraw/zinc/67/37/46/661673746.db2.gz DEPIYTCNOPAFCM-HNNXBMFYSA-N 1 0 322.405 3.024 20 5 DGBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000934225480 661689846 /nfs/dbraw/zinc/68/98/46/661689846.db2.gz CUHQLGABNJTDAV-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934329468 661697709 /nfs/dbraw/zinc/69/77/09/661697709.db2.gz GWTDSONHKWJGJD-GFCCVEGCSA-N 1 0 303.387 3.116 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2CCOC23CCCC3)ccc1[N+](=O)[O-] ZINC000934393664 661704186 /nfs/dbraw/zinc/70/41/86/661704186.db2.gz ZUNREJYQDQFILC-MRXNPFEDSA-N 1 0 320.389 3.185 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934397374 661704392 /nfs/dbraw/zinc/70/43/92/661704392.db2.gz XIURYLBZQNKAQN-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO C[N@H+](CCNCc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000084440120 662200846 /nfs/dbraw/zinc/20/08/46/662200846.db2.gz DXRCFXGGMBZCQP-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC001617726562 1191876472 /nfs/dbraw/zinc/87/64/72/1191876472.db2.gz DJVBHUDYOJRVOY-HZPDHXFCSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001620582759 1192009760 /nfs/dbraw/zinc/00/97/60/1192009760.db2.gz QZZJHTVTEWCSOE-RYUDHWBXSA-N 1 0 300.362 3.073 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([C@@H]3CCC[NH2+]CC3)CC2)c(F)c1 ZINC001580874831 1192043467 /nfs/dbraw/zinc/04/34/67/1192043467.db2.gz LFVMQKOGBIRABY-CYBMUJFWSA-N 1 0 321.396 3.340 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001580875383 1192043483 /nfs/dbraw/zinc/04/34/83/1192043483.db2.gz JIAFGLHLWHUUQO-FZMZJTMJSA-N 1 0 324.812 3.002 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cccc2ncccc12 ZINC001620920615 1192610418 /nfs/dbraw/zinc/61/04/18/1192610418.db2.gz WCFDVSXIUHHXLW-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1(C)C ZINC001665368750 1197129254 /nfs/dbraw/zinc/12/92/54/1197129254.db2.gz JNCGCOQECDEPFJ-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO Cc1cc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc(C)n1 ZINC001597956284 1192756499 /nfs/dbraw/zinc/75/64/99/1192756499.db2.gz SKMSGEGNHKERTG-UHFFFAOYSA-N 1 0 319.748 3.190 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000480064335 1178061898 /nfs/dbraw/zinc/06/18/98/1178061898.db2.gz STOQBAGMULCFRU-IAQYHMDHSA-N 1 0 317.389 3.082 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331541376 1178239868 /nfs/dbraw/zinc/23/98/68/1178239868.db2.gz HQCUOKBZPGEDQK-GFCCVEGCSA-N 1 0 300.362 3.038 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331541377 1178240295 /nfs/dbraw/zinc/24/02/95/1178240295.db2.gz HQCUOKBZPGEDQK-LBPRGKRZSA-N 1 0 300.362 3.038 20 5 DGBDRO COc1cc([C@H](C)[NH2+]Cc2cnc(C)s2)cc([N+](=O)[O-])c1 ZINC001335257524 1178878632 /nfs/dbraw/zinc/87/86/32/1178878632.db2.gz WHSYXTUKSYNZGJ-VIFPVBQESA-N 1 0 307.375 3.219 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn(C)c2C2CC2)cc1[N+](=O)[O-] ZINC001335472212 1178916753 /nfs/dbraw/zinc/91/67/53/1178916753.db2.gz WQBBHBMSCQZUTI-LBPRGKRZSA-N 1 0 314.389 3.365 20 5 DGBDRO Cc1nn(C(C)C)c(C)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001335480088 1178917236 /nfs/dbraw/zinc/91/72/36/1178917236.db2.gz AOWLXUUBCAYQKM-UHFFFAOYSA-N 1 0 316.405 3.321 20 5 DGBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1F ZINC001343584007 1179301662 /nfs/dbraw/zinc/30/16/62/1179301662.db2.gz OHQJTQZUAMXTAT-UHFFFAOYSA-N 1 0 304.321 3.341 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCC[C@H](F)C3)CC2)cc1 ZINC001345944111 1179628306 /nfs/dbraw/zinc/62/83/06/1179628306.db2.gz LAYSRFYLUFKRNJ-ZFWWWQNUSA-N 1 0 321.396 3.434 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001346110772 1179655104 /nfs/dbraw/zinc/65/51/04/1179655104.db2.gz TZMVJGUCKAURAA-QZTJIDSGSA-N 1 0 312.369 3.214 20 5 DGBDRO CC[C@@](O)(C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC001351177255 1180182773 /nfs/dbraw/zinc/18/27/73/1180182773.db2.gz OSOXOFVZKYNYLC-ZWNOBZJWSA-N 1 0 320.311 3.257 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001354434972 1180795111 /nfs/dbraw/zinc/79/51/11/1180795111.db2.gz KREOMMRYIMFFGP-JTQLQIEISA-N 1 0 300.790 3.176 20 5 DGBDRO C[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001473430201 1181524530 /nfs/dbraw/zinc/52/45/30/1181524530.db2.gz XBEBNYOLHUQQJA-BDAKNGLRSA-N 1 0 319.188 3.104 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(Cl)c1NCC[NH+]1CCCC1 ZINC001458074505 1182494926 /nfs/dbraw/zinc/49/49/26/1182494926.db2.gz XRQPOTRCJRVRCO-UHFFFAOYSA-N 1 0 304.177 3.409 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001458176598 1182501650 /nfs/dbraw/zinc/50/16/50/1182501650.db2.gz AXXMYZSSXLGNJS-CQSZACIVSA-N 1 0 314.389 3.429 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1(C)C ZINC001458450653 1182524806 /nfs/dbraw/zinc/52/48/06/1182524806.db2.gz HZTBSGRGMAZNTA-LSDHHAIUSA-N 1 0 314.389 3.284 20 5 DGBDRO CC1(C)CC[N@H+](CCNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC001458695998 1182549423 /nfs/dbraw/zinc/54/94/23/1182549423.db2.gz ITEIQJBVXWCMHU-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001459383524 1182585024 /nfs/dbraw/zinc/58/50/24/1182585024.db2.gz SUBTXALTVAEMFU-UHFFFAOYSA-N 1 0 320.368 3.151 20 5 DGBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C ZINC001459987451 1182637552 /nfs/dbraw/zinc/63/75/52/1182637552.db2.gz PLKPVBSULIPFRH-NWDGAFQWSA-N 1 0 323.368 3.183 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC001460123230 1182653803 /nfs/dbraw/zinc/65/38/03/1182653803.db2.gz OSXCLKJVIVKZEJ-NVXWUHKLSA-N 1 0 322.405 3.287 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CO)CCCCCCC1 ZINC001460662581 1182705046 /nfs/dbraw/zinc/70/50/46/1182705046.db2.gz UUVZEPOGLXRFGI-UHFFFAOYSA-N 1 0 322.405 3.168 20 5 DGBDRO CCCn1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC001461697105 1182845325 /nfs/dbraw/zinc/84/53/25/1182845325.db2.gz HFPDMFYTPVNASV-UHFFFAOYSA-N 1 0 302.378 3.108 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc(F)cc1F ZINC001461997894 1182891560 /nfs/dbraw/zinc/89/15/60/1182891560.db2.gz UOCMDWPQOBNOSK-UHFFFAOYSA-N 1 0 322.311 3.214 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCCC2(C)C)c1[N+](=O)[O-] ZINC001462269967 1182931555 /nfs/dbraw/zinc/93/15/55/1182931555.db2.gz LOLZEQCXBXBJQD-LBPRGKRZSA-N 1 0 308.378 3.225 20 5 DGBDRO Cc1c(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001462583409 1182972446 /nfs/dbraw/zinc/97/24/46/1182972446.db2.gz VZXMLBDTJXJGEI-LLVKDONJSA-N 1 0 324.340 3.042 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001472673090 1183665456 /nfs/dbraw/zinc/66/54/56/1183665456.db2.gz AWDCZAVMULAREA-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1ccc(C[N@@H+](C)CCN(C)c2ccccc2)cc1[N+](=O)[O-] ZINC001473154397 1183722899 /nfs/dbraw/zinc/72/28/99/1183722899.db2.gz SINCIKPVAWYZIE-UHFFFAOYSA-N 1 0 313.401 3.471 20 5 DGBDRO COC[C@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(C)C ZINC001473233339 1183733895 /nfs/dbraw/zinc/73/38/95/1183733895.db2.gz KOLQTMVDZYXMPB-HNNXBMFYSA-N 1 0 306.406 3.478 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001474257618 1183890710 /nfs/dbraw/zinc/89/07/10/1183890710.db2.gz QCRIHMWCEALPJY-DJXGBFBFSA-N 1 0 304.390 3.403 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC001474354760 1183908446 /nfs/dbraw/zinc/90/84/46/1183908446.db2.gz VTHGOVJKQHDOKI-HNNXBMFYSA-N 1 0 306.406 3.459 20 5 DGBDRO CC[C@H](C)[C@@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC001474396687 1183914675 /nfs/dbraw/zinc/91/46/75/1183914675.db2.gz MRUPRGVRERUJBR-XHDPSFHLSA-N 1 0 314.813 3.441 20 5 DGBDRO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC001474739945 1183971327 /nfs/dbraw/zinc/97/13/27/1183971327.db2.gz FIJHNRGSNLDXJM-RDJZCZTQSA-N 1 0 321.465 3.482 20 5 DGBDRO CCO[C@H](CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC001655757278 1195960447 /nfs/dbraw/zinc/96/04/47/1195960447.db2.gz YLCLVGDEAVWMRP-OAHLLOKOSA-N 1 0 310.394 3.144 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC(C)(C)C1 ZINC001617687886 1193577881 /nfs/dbraw/zinc/57/78/81/1193577881.db2.gz VNHCGRJSOWMLQE-HNNXBMFYSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001559185146 1189178760 /nfs/dbraw/zinc/17/87/60/1189178760.db2.gz HSMPMKIQNGWWMD-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)c(Cl)c1 ZINC001559285172 1189192059 /nfs/dbraw/zinc/19/20/59/1189192059.db2.gz DTZMNKXQTAJLBN-OAHLLOKOSA-N 1 0 317.776 3.399 20 5 DGBDRO COC[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)C ZINC001559713486 1189233851 /nfs/dbraw/zinc/23/38/51/1189233851.db2.gz QTZSEGZGVJPFNA-HNNXBMFYSA-N 1 0 306.406 3.478 20 5 DGBDRO C[N@H+](CCOCC1CCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC001559782168 1189241547 /nfs/dbraw/zinc/24/15/47/1189241547.db2.gz GRFJPRSZWCVPEH-UHFFFAOYSA-N 1 0 306.406 3.276 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@@H]1[C@H]1CCCO1 ZINC001560223505 1189294072 /nfs/dbraw/zinc/29/40/72/1189294072.db2.gz ANMFXVKVXBIIRC-HZPDHXFCSA-N 1 0 308.353 3.267 20 5 DGBDRO Cc1c(CNC[C@@H](C(C)C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC001560260744 1189301091 /nfs/dbraw/zinc/30/10/91/1189301091.db2.gz UEALZUOZTKOPAX-KRWDZBQOSA-N 1 0 305.422 3.113 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(O)CCCC1(C)C ZINC001560484784 1189333027 /nfs/dbraw/zinc/33/30/27/1189333027.db2.gz VEGGXEBKTNOSGV-QGZVFWFLSA-N 1 0 306.406 3.242 20 5 DGBDRO CO[C@](C)(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC001560639350 1189354520 /nfs/dbraw/zinc/35/45/20/1189354520.db2.gz UUIPVEGSDFRLFD-QGZVFWFLSA-N 1 0 304.390 3.374 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001560742046 1189372763 /nfs/dbraw/zinc/37/27/63/1189372763.db2.gz QJRARDALTCDNJH-GMXVVIOVSA-N 1 0 308.378 3.223 20 5 DGBDRO COc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1F ZINC001620769958 1191465532 /nfs/dbraw/zinc/46/55/32/1191465532.db2.gz UQTDEGKBAJZEPZ-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@H](C)[NH3+] ZINC001575408765 1191480974 /nfs/dbraw/zinc/48/09/74/1191480974.db2.gz WGYCFHGNSFGVEN-MEDUHNTESA-N 1 0 315.373 3.306 20 5 DGBDRO CC1(C)[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[NH2+][C@H]21 ZINC001576389015 1191580787 /nfs/dbraw/zinc/58/07/87/1191580787.db2.gz DMABCMZVFPAAHT-BPLDGKMQSA-N 1 0 323.824 3.114 20 5 DGBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001618387883 1193736607 /nfs/dbraw/zinc/73/66/07/1193736607.db2.gz OWQOPMKMVSMDJM-DYVFJYSZSA-N 1 0 319.405 3.482 20 5 DGBDRO Cn1cc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2(C)C)c([N+](=O)[O-])n1 ZINC001618478932 1193740192 /nfs/dbraw/zinc/74/01/92/1193740192.db2.gz XNLYLCOXRNTVJQ-CYBMUJFWSA-N 1 0 308.426 3.365 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(CO)CCCCCCC2)c1 ZINC001620514937 1193774138 /nfs/dbraw/zinc/77/41/38/1193774138.db2.gz UDKUXSJZCWJCMW-UHFFFAOYSA-N 1 0 322.405 3.039 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccccc1[N+](=O)[O-] ZINC001620555237 1193778649 /nfs/dbraw/zinc/77/86/49/1193778649.db2.gz YNLXINJSJOFOCD-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001620643586 1193786023 /nfs/dbraw/zinc/78/60/23/1193786023.db2.gz KGYJDPRPMNZUMR-ZDUSSCGKSA-N 1 0 316.361 3.409 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3n[nH]cc31)CC2 ZINC001621188633 1193814200 /nfs/dbraw/zinc/81/42/00/1193814200.db2.gz NUJGTLLCTOGAJT-UHFFFAOYSA-N 1 0 308.341 3.029 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](OC)C1CCCCC1 ZINC001621197499 1193816035 /nfs/dbraw/zinc/81/60/35/1193816035.db2.gz JSOUJSHEIRARHE-QGZVFWFLSA-N 1 0 322.405 3.288 20 5 DGBDRO CC[N@@H+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1C ZINC001639655673 1194775526 /nfs/dbraw/zinc/77/55/26/1194775526.db2.gz MWICXMSSJQSOEU-SNVBAGLBSA-N 1 0 317.311 3.144 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001639882727 1194786486 /nfs/dbraw/zinc/78/64/86/1194786486.db2.gz KZUVFUQTPHPMHU-AWEZNQCLSA-N 1 0 314.389 3.429 20 5 DGBDRO CC[N@H+]1[C@H](C)CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1C ZINC001640330664 1194807272 /nfs/dbraw/zinc/80/72/72/1194807272.db2.gz YPRJXRLOOSPGAW-BETUJISGSA-N 1 0 314.389 3.062 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(NC[C@H]2CSCC[NH2+]2)c(Cl)c1 ZINC001640350927 1194807655 /nfs/dbraw/zinc/80/76/55/1194807655.db2.gz UYRSBRZVJVXWHJ-ZETCQYMHSA-N 1 0 322.217 3.019 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001640499862 1194817095 /nfs/dbraw/zinc/81/70/95/1194817095.db2.gz TZXPZXKKDJYKAC-LLVKDONJSA-N 1 0 306.391 3.101 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1F ZINC001640526051 1194818237 /nfs/dbraw/zinc/81/82/37/1194818237.db2.gz YBJIGJOFYQGKHU-WMLDXEAASA-N 1 0 321.396 3.433 20 5 DGBDRO O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)c1ccc([N+](=O)[O-])o1 ZINC001640634717 1194823142 /nfs/dbraw/zinc/82/31/42/1194823142.db2.gz DBLILSRURYSTIJ-UHFFFAOYSA-N 1 0 324.296 3.001 20 5 DGBDRO C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+]1CCCC[C@H]1C ZINC001642072602 1194886532 /nfs/dbraw/zinc/88/65/32/1194886532.db2.gz JQXOLDCHKUWGIG-VXGBXAGGSA-N 1 0 317.393 3.146 20 5 DGBDRO C[N@@H+]1CCC[C@H](CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001642247621 1194895470 /nfs/dbraw/zinc/89/54/70/1194895470.db2.gz FPNPQRVAYYNGAF-SNVBAGLBSA-N 1 0 317.311 3.367 20 5 DGBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001642792853 1194939572 /nfs/dbraw/zinc/93/95/72/1194939572.db2.gz BAHCQHOKNRRVMV-OAHLLOKOSA-N 1 0 311.385 3.306 20 5 DGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](CO)CC(C)(C)C ZINC001643106672 1194992926 /nfs/dbraw/zinc/99/29/26/1194992926.db2.gz GYZUNBWREIWKLS-CYBMUJFWSA-N 1 0 314.813 3.477 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001643932117 1195064908 /nfs/dbraw/zinc/06/49/08/1195064908.db2.gz FFLAVYQIGORPHH-UHFFFAOYSA-N 1 0 313.829 3.458 20 5 DGBDRO Cc1nn(C)c(C)c1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001647038141 1195242450 /nfs/dbraw/zinc/24/24/50/1195242450.db2.gz UMVDELSIICKBCA-UHFFFAOYSA-N 1 0 316.405 3.058 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC001648114090 1195277447 /nfs/dbraw/zinc/27/74/47/1195277447.db2.gz LXHZVKOKZJJNIJ-IMJJTQAJSA-N 1 0 324.808 3.374 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCOC23CCCCC3)cccc1[N+](=O)[O-] ZINC001648523532 1195306616 /nfs/dbraw/zinc/30/66/16/1195306616.db2.gz RKNWKWYNYVMZDJ-MRXNPFEDSA-N 1 0 304.390 3.485 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC001650697793 1195372631 /nfs/dbraw/zinc/37/26/31/1195372631.db2.gz YIXZZSLGBVMJBK-GFCCVEGCSA-N 1 0 310.373 3.195 20 5 DGBDRO Cc1cccc([C@H](O)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001650748769 1195377952 /nfs/dbraw/zinc/37/79/52/1195377952.db2.gz UPEGKMCHEPDDQZ-GOSISDBHSA-N 1 0 314.385 3.343 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001651258990 1195434884 /nfs/dbraw/zinc/43/48/84/1195434884.db2.gz UUXZCZDDXDPNQZ-GFCCVEGCSA-N 1 0 324.812 3.462 20 5 DGBDRO C[NH+](C)[C@H](CNc1c(F)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC001651278125 1195437282 /nfs/dbraw/zinc/43/72/82/1195437282.db2.gz JIZGHOMNZBOZLV-AWEZNQCLSA-N 1 0 317.364 3.319 20 5 DGBDRO Cc1cc(N(CC(C)C)CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001651353323 1195448589 /nfs/dbraw/zinc/44/85/89/1195448589.db2.gz QFQSQXWDLCINCI-UHFFFAOYSA-N 1 0 320.437 3.102 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccc([N+](=O)[O-])cc1 ZINC001651551801 1195479380 /nfs/dbraw/zinc/47/93/80/1195479380.db2.gz BJSVZGHBVIULSG-GFCCVEGCSA-N 1 0 310.357 3.332 20 5 DGBDRO C[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001651644429 1195489512 /nfs/dbraw/zinc/48/95/12/1195489512.db2.gz WIMJTYPHJGJHRZ-GFCCVEGCSA-N 1 0 318.373 3.351 20 5 DGBDRO C[NH+](C)[C@H]1C[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1(C)C ZINC001651972766 1195530636 /nfs/dbraw/zinc/53/06/36/1195530636.db2.gz MDBJFSWHMUQPJD-GJZGRUSLSA-N 1 0 318.421 3.009 20 5 DGBDRO C[NH+](C)[C@H]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1(C)C ZINC001651973427 1195530730 /nfs/dbraw/zinc/53/07/30/1195530730.db2.gz XNYZERCCTDZYOU-GJZGRUSLSA-N 1 0 314.389 3.284 20 5 DGBDRO C[C@H](CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[NH+](C)C ZINC001652030582 1195538700 /nfs/dbraw/zinc/53/87/00/1195538700.db2.gz WPKCPTJLWZRVAJ-CYBMUJFWSA-N 1 0 314.389 3.409 20 5 DGBDRO [NH3+]CCN(Cc1ccc(C2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001652380623 1195589325 /nfs/dbraw/zinc/58/93/25/1195589325.db2.gz NSXFOHVVPWSSNB-UHFFFAOYSA-N 1 0 311.385 3.438 20 5 DGBDRO [NH3+]CCN(Cc1ccc(C2CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC001652407434 1195593359 /nfs/dbraw/zinc/59/33/59/1195593359.db2.gz PLZZLBPZYKVNSU-UHFFFAOYSA-N 1 0 311.385 3.438 20 5 DGBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653446318 1195723352 /nfs/dbraw/zinc/72/33/52/1195723352.db2.gz YORDVECJWGJTRD-WBVHZDCISA-N 1 0 322.405 3.109 20 5 DGBDRO CO[C@]1(C)C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653449931 1195723696 /nfs/dbraw/zinc/72/36/96/1195723696.db2.gz PBRVJOCFECUASF-NVXWUHKLSA-N 1 0 306.406 3.273 20 5 DGBDRO CC(C)(C)C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001653915556 1195759868 /nfs/dbraw/zinc/75/98/68/1195759868.db2.gz LGYOGMLYSUTHNK-ZDUSSCGKSA-N 1 0 319.405 3.291 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC001654541781 1195814415 /nfs/dbraw/zinc/81/44/15/1195814415.db2.gz YAYXHOALESPSDE-KBPBESRZSA-N 1 0 322.430 3.049 20 5 DGBDRO Cc1c(CN2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001654906923 1195853056 /nfs/dbraw/zinc/85/30/56/1195853056.db2.gz DIADUZYIYZBFGH-MRXNPFEDSA-N 1 0 305.422 3.065 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)n1 ZINC001654969624 1195860090 /nfs/dbraw/zinc/86/00/90/1195860090.db2.gz ZFNOEVYMZHGJAR-MRXNPFEDSA-N 1 0 320.437 3.467 20 5 DGBDRO Cc1c(CN[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001655404293 1195913147 /nfs/dbraw/zinc/91/31/47/1195913147.db2.gz UXNYBEAGGWBIPM-QLFBSQMISA-N 1 0 319.449 3.359 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCn2cccc2C1 ZINC001655539473 1195929278 /nfs/dbraw/zinc/92/92/78/1195929278.db2.gz RZHPOGRNSGUWMO-UHFFFAOYSA-N 1 0 315.373 3.199 20 5 DGBDRO C[C@@H]1Cc2cc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC001655560421 1195931940 /nfs/dbraw/zinc/93/19/40/1195931940.db2.gz HGRJBCHZJYXPMD-CYBMUJFWSA-N 1 0 312.369 3.251 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCOC23CCCCC3)c1 ZINC001655791123 1195963360 /nfs/dbraw/zinc/96/33/60/1195963360.db2.gz OOFCFWWDJIUTBC-MRXNPFEDSA-N 1 0 320.389 3.055 20 5 DGBDRO Cc1c(C[N@@H+]2CCCC[C@]23CCCOC3)cccc1[N+](=O)[O-] ZINC001655922782 1195977567 /nfs/dbraw/zinc/97/75/67/1195977567.db2.gz UYLHEWJFEVFBPG-QGZVFWFLSA-N 1 0 304.390 3.438 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2oc(=O)oc2c1)c1cccc([N+](=O)[O-])c1 ZINC001656081536 1195995847 /nfs/dbraw/zinc/99/58/47/1195995847.db2.gz CFIWDKBNHQVROY-JTQLQIEISA-N 1 0 314.297 3.145 20 5 DGBDRO C[C@]12C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001656303366 1196028308 /nfs/dbraw/zinc/02/83/08/1196028308.db2.gz PQXNBUMOBPGCPI-IHETXDGRSA-N 1 0 314.385 3.118 20 5 DGBDRO Cc1noc(CCC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC001656409088 1196036861 /nfs/dbraw/zinc/03/68/61/1196036861.db2.gz PEOQSSJWHXNNHH-UHFFFAOYSA-N 1 0 318.377 3.132 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001656506026 1196045084 /nfs/dbraw/zinc/04/50/84/1196045084.db2.gz GGYXDVXLDNHSIA-SJORKVTESA-N 1 0 304.390 3.171 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](C)Oc2ccccc2)cccc1[N+](=O)[O-] ZINC001656516841 1196046422 /nfs/dbraw/zinc/04/64/22/1196046422.db2.gz SOXBAUWKFAQUEL-CYBMUJFWSA-N 1 0 300.358 3.460 20 5 DGBDRO Cc1c(CNC[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC001656897224 1196081359 /nfs/dbraw/zinc/08/13/59/1196081359.db2.gz WHPQUJPQYIMHEE-CQSZACIVSA-N 1 0 305.422 3.115 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC001657473945 1196146924 /nfs/dbraw/zinc/14/69/24/1196146924.db2.gz TVAWBPKCYGJADT-AWEZNQCLSA-N 1 0 307.438 3.422 20 5 DGBDRO [NH3+]CCN(Cc1cccc2ncccc12)c1ccccc1[N+](=O)[O-] ZINC001658032351 1196203902 /nfs/dbraw/zinc/20/39/02/1196203902.db2.gz CFWRXUWRHYJXRG-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO C[C@@H](C[NH2+]Cc1[nH]nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001658075962 1196209478 /nfs/dbraw/zinc/20/94/78/1196209478.db2.gz KGCGGDUYLJZCCW-LBPRGKRZSA-N 1 0 310.357 3.364 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001658662792 1196286372 /nfs/dbraw/zinc/28/63/72/1196286372.db2.gz JARGDYJJJNYGON-GFCCVEGCSA-N 1 0 311.813 3.164 20 5 DGBDRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001658719750 1196292362 /nfs/dbraw/zinc/29/23/62/1196292362.db2.gz ZQFLMJCMLJABAI-JCGIZDLHSA-N 1 0 318.417 3.384 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC001658730092 1196293038 /nfs/dbraw/zinc/29/30/38/1196293038.db2.gz ARSUTBSKPUBORM-UDYBNVKDSA-N 1 0 304.390 3.091 20 5 DGBDRO CCCC[C@@H](CC)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001658894163 1196316080 /nfs/dbraw/zinc/31/60/80/1196316080.db2.gz UZUJDYBXPFFQIZ-OAHLLOKOSA-N 1 0 320.437 3.328 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC001659266280 1196366178 /nfs/dbraw/zinc/36/61/78/1196366178.db2.gz VGIYIEYUEBTTOH-WBVHZDCISA-N 1 0 320.433 3.441 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC(C)(C)C1 ZINC001660878402 1196538396 /nfs/dbraw/zinc/53/83/96/1196538396.db2.gz SQAZYXYPEMQVHC-HNNXBMFYSA-N 1 0 319.449 3.237 20 5 DGBDRO Cc1c(C[NH2+]CCN2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC001661165252 1196574999 /nfs/dbraw/zinc/57/49/99/1196574999.db2.gz XGNWQYHWCAFVSN-UHFFFAOYSA-N 1 0 311.385 3.056 20 5 DGBDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001661553467 1196618607 /nfs/dbraw/zinc/61/86/07/1196618607.db2.gz UCSLXSOJLOROJM-OAHLLOKOSA-N 1 0 318.373 3.496 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](CCO)CC(C)C ZINC001661558135 1196619385 /nfs/dbraw/zinc/61/93/85/1196619385.db2.gz MYYZWYVYAZDSOD-OAHLLOKOSA-N 1 0 308.422 3.346 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc(N(C)C)s2)cc1[N+](=O)[O-] ZINC001661595730 1196622831 /nfs/dbraw/zinc/62/28/31/1196622831.db2.gz ZCHBZROLNRVMEG-NSHDSACASA-N 1 0 320.418 3.277 20 5 DGBDRO C[C@H](C[NH2+]Cc1cccc2c1OCO2)c1ccccc1[N+](=O)[O-] ZINC001663366170 1196848730 /nfs/dbraw/zinc/84/87/30/1196848730.db2.gz MIVPLCCJZJZZDL-GFCCVEGCSA-N 1 0 314.341 3.217 20 5 DGBDRO CC(C)(C)CC[C@@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001664465826 1197001995 /nfs/dbraw/zinc/00/19/95/1197001995.db2.gz SPYYEURAZKNVND-NSHDSACASA-N 1 0 321.377 3.013 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2nccnc2c1 ZINC001664685689 1197034831 /nfs/dbraw/zinc/03/48/31/1197034831.db2.gz DLKGKGBDXBPGFO-UHFFFAOYSA-N 1 0 322.368 3.213 20 5 DGBDRO CCOC(=O)C(CC)(CC)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001665399249 1197132007 /nfs/dbraw/zinc/13/20/07/1197132007.db2.gz VAXVPBWTXHXKGW-UHFFFAOYSA-N 1 0 322.405 3.096 20 5 DGBDRO Cc1nc(N2CCCC[C@H]2CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001165048738 721965265 /nfs/dbraw/zinc/96/52/65/721965265.db2.gz YXFVDIGSNRYRNP-HNNXBMFYSA-N 1 0 318.421 3.143 20 5 DGBDRO O=[N+]([O-])c1cc(NCC[C@H]2CCC[NH2+]2)ccc1OC(F)(F)F ZINC001169563755 1081593512 /nfs/dbraw/zinc/59/35/12/1081593512.db2.gz AGUVSGVZDWRQSY-SECBINFHSA-N 1 0 319.283 3.047 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001167473052 1082202885 /nfs/dbraw/zinc/20/28/85/1082202885.db2.gz FNKPFJLPGLXPEA-LSDHHAIUSA-N 1 0 310.369 3.369 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1N[C@H](C(=O)NC(C)C)C(C)C ZINC001170191734 1082309534 /nfs/dbraw/zinc/30/95/34/1082309534.db2.gz DALVITFHDXMEGK-SFHVURJKSA-O 1 0 320.501 3.244 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(C)(C)CO1 ZINC001170192629 1082310035 /nfs/dbraw/zinc/31/00/35/1082310035.db2.gz CBGFLBPXBSAFRC-HNNXBMFYSA-N 1 0 306.406 3.274 20 5 DGBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001170272525 1082332943 /nfs/dbraw/zinc/33/29/43/1082332943.db2.gz INCFLUIJHVZNPR-AWEZNQCLSA-N 1 0 311.813 3.164 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170306252 1082337287 /nfs/dbraw/zinc/33/72/87/1082337287.db2.gz TYLCDBWMCLGOCG-TZMCWYRMSA-N 1 0 322.405 3.082 20 5 DGBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC001170329929 1082347674 /nfs/dbraw/zinc/34/76/74/1082347674.db2.gz WYEPPPJEYIBZMP-ZDUSSCGKSA-N 1 0 315.373 3.061 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccsc2)c([N+](=O)[O-])c1 ZINC001170306709 1082348601 /nfs/dbraw/zinc/34/86/01/1082348601.db2.gz AMRSUODXKFPWQB-GFCCVEGCSA-N 1 0 320.414 3.428 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(SC)CC2)c([N+](=O)[O-])c1 ZINC001170345847 1082356875 /nfs/dbraw/zinc/35/68/75/1082356875.db2.gz MYYBTGMNTMSSPK-GFCCVEGCSA-N 1 0 324.446 3.362 20 5 DGBDRO CNc1cc([N+](=O)[O-])cnc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170450917 1082476024 /nfs/dbraw/zinc/47/60/24/1082476024.db2.gz NSULAASMDQZWTJ-UHFFFAOYSA-N 1 0 321.425 3.095 20 5 DGBDRO C[C@H](Nc1nc2ccccc2c2ccccc21)[C@H]1C[NH2+]CCO1 ZINC001170573899 1082693163 /nfs/dbraw/zinc/69/31/63/1082693163.db2.gz LIYREZQWYZIZKR-SCLBCKFNSA-N 1 0 307.397 3.177 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CCC[NH2+]C[C@H]2F)cc1Cl ZINC001217953242 1082965762 /nfs/dbraw/zinc/96/57/62/1082965762.db2.gz XLARHRNVAJLAKC-KOLCDFICSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC[C@H]2F)c(Cl)cc1Cl ZINC001217972652 1082976710 /nfs/dbraw/zinc/97/67/10/1082976710.db2.gz QJVZBQOUULMEJS-SKDRFNHKSA-N 1 0 323.151 3.371 20 5 DGBDRO N=c1cc(C[NH3+])ccn1-c1nc2ccccc2c2ccccc21 ZINC001167693506 1083040913 /nfs/dbraw/zinc/04/09/13/1083040913.db2.gz QPXCWASOCBNJCD-UHFFFAOYSA-N 1 0 300.365 3.117 20 5 DGBDRO CCCC[NH+](CCCC)CCNc1cc([N+](=O)[O-])c(OC)cn1 ZINC001167733279 1083310818 /nfs/dbraw/zinc/31/08/18/1083310818.db2.gz QMSPASFKHTVMCM-UHFFFAOYSA-N 1 0 324.425 3.313 20 5 DGBDRO CCOc1cnc(NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001167751157 1083623156 /nfs/dbraw/zinc/62/31/56/1083623156.db2.gz IJUHOMYBKUHWQR-ZDUSSCGKSA-N 1 0 322.409 3.065 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC001182734263 1083791762 /nfs/dbraw/zinc/79/17/62/1083791762.db2.gz SQBIVMJEWZMIKP-AWEZNQCLSA-N 1 0 320.389 3.464 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[N@@H+](C)C(C)(C)CC1 ZINC001183136515 1083884044 /nfs/dbraw/zinc/88/40/44/1083884044.db2.gz LXJLMRMEXCEYMR-UHFFFAOYSA-N 1 0 305.422 3.128 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC001184046095 1084095022 /nfs/dbraw/zinc/09/50/22/1084095022.db2.gz UDMLVPUYNHRXCD-APHBMKBZSA-N 1 0 304.390 3.246 20 5 DGBDRO CC[N@H+](CCNc1cc(OC)c([N+](=O)[O-])cc1Cl)C(C)C ZINC001185203539 1084379298 /nfs/dbraw/zinc/37/92/98/1084379298.db2.gz IWHRVDIKUSPMJN-UHFFFAOYSA-N 1 0 315.801 3.399 20 5 DGBDRO COc1c(Br)ccc(F)c1O[C@@H](C)C[N+](C)(C)C ZINC001227391513 1086602082 /nfs/dbraw/zinc/60/20/82/1086602082.db2.gz XHQQIZRCMNSQNX-VIFPVBQESA-N 1 0 321.210 3.070 20 5 DGBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)c(F)cc1Br ZINC001227827398 1086723665 /nfs/dbraw/zinc/72/36/65/1086723665.db2.gz AQWQBUBVIJGYHY-JTQLQIEISA-N 1 0 305.211 3.370 20 5 DGBDRO CCCCCC[N@H+](C)CC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001648977783 1087028013 /nfs/dbraw/zinc/02/80/13/1087028013.db2.gz NUVKLDPMGAALTR-UHFFFAOYSA-N 1 0 321.421 3.032 20 5 DGBDRO Cc1nc(N(C2CCCC2)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001158485542 1087860674 /nfs/dbraw/zinc/86/06/74/1087860674.db2.gz NWNAQLLNXKFBRK-UHFFFAOYSA-N 1 0 318.421 3.141 20 5 DGBDRO COc1ccc(Br)c(O[C@@H](C)C[N+](C)(C)C)c1F ZINC001234308240 1087865135 /nfs/dbraw/zinc/86/51/35/1087865135.db2.gz DXROGDSCCPDYOI-VIFPVBQESA-N 1 0 321.210 3.070 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001158757432 1088012443 /nfs/dbraw/zinc/01/24/43/1088012443.db2.gz NWAGUIBAYHNFMY-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO Cc1ccc(Nc2cc([C@H]3CCCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC001159312914 1088285603 /nfs/dbraw/zinc/28/56/03/1088285603.db2.gz GKZLEFUVMDKGMH-GFCCVEGCSA-N 1 0 302.334 3.449 20 5 DGBDRO Nc1cc2nc3ccccc3nc2cc1NC=C1CC[NH2+]CC1 ZINC001159523470 1088377816 /nfs/dbraw/zinc/37/78/16/1088377816.db2.gz NJOBWXCHSFHBLQ-UHFFFAOYSA-N 1 0 305.385 3.044 20 5 DGBDRO COc1ccc(Nc2ccc([C@@H]3CC[NH2+]C3)cc2)c([N+](=O)[O-])c1 ZINC001159777440 1088480058 /nfs/dbraw/zinc/48/00/58/1088480058.db2.gz LBZMWJIZQRZCQE-CYBMUJFWSA-N 1 0 313.357 3.424 20 5 DGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccccc1C1=CC[NH2+]CC1 ZINC001160024980 1088606591 /nfs/dbraw/zinc/60/65/91/1088606591.db2.gz AQKKOXNZKODORA-UHFFFAOYSA-N 1 0 310.357 3.419 20 5 DGBDRO CC1(C)C[NH2+]Cc2cc(Nc3ccc(N)c([N+](=O)[O-])c3)ccc21 ZINC001160286958 1088741555 /nfs/dbraw/zinc/74/15/55/1088741555.db2.gz UXAGQCAPFMXZNC-UHFFFAOYSA-N 1 0 312.373 3.301 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001154989009 1088876617 /nfs/dbraw/zinc/87/66/17/1088876617.db2.gz IFOPPGIDAAZLDH-WDEREUQCSA-N 1 0 320.780 3.478 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001155024999 1088902408 /nfs/dbraw/zinc/90/24/08/1088902408.db2.gz KSDXEKJWOYXADQ-OLZOCXBDSA-N 1 0 314.389 3.191 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001155298561 1089055569 /nfs/dbraw/zinc/05/55/69/1089055569.db2.gz VBIPTJOQVNAINN-AWEZNQCLSA-N 1 0 320.352 3.165 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001155989263 1089333941 /nfs/dbraw/zinc/33/39/41/1089333941.db2.gz FWEOXOLZHZEQMG-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001156377956 1089495642 /nfs/dbraw/zinc/49/56/42/1089495642.db2.gz HXECYOCRJAXPAH-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1ccc2c(ccnc2N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162389982 1089709138 /nfs/dbraw/zinc/70/91/38/1089709138.db2.gz AVNGEVKBLAFJOX-RYUDHWBXSA-N 1 0 300.362 3.133 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC001162465232 1089747016 /nfs/dbraw/zinc/74/70/16/1089747016.db2.gz DZUHSEUKYXWQCG-QWHCGFSZSA-N 1 0 314.389 3.191 20 5 DGBDRO [NH3+]Cc1ccc(Nc2ccc3ccc([N+](=O)[O-])cc3n2)cc1F ZINC001162522940 1089770860 /nfs/dbraw/zinc/77/08/60/1089770860.db2.gz XHKCOCOOXLVLCO-UHFFFAOYSA-N 1 0 312.304 3.484 20 5 DGBDRO [NH3+]Cc1ccc(Nc2ccc3cccc([N+](=O)[O-])c3n2)cc1F ZINC001162524444 1089773445 /nfs/dbraw/zinc/77/34/45/1089773445.db2.gz CWGGKXOIPOIRNP-UHFFFAOYSA-N 1 0 312.304 3.484 20 5 DGBDRO [NH3+]Cc1ccc(Nc2nc3ccccc3cc2[N+](=O)[O-])cc1F ZINC001162524467 1089773604 /nfs/dbraw/zinc/77/36/04/1089773604.db2.gz DGQCUOOCHCYZAT-UHFFFAOYSA-N 1 0 312.304 3.484 20 5 DGBDRO CC(C)[N@H+](C)[C@H]1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001157009834 1089784801 /nfs/dbraw/zinc/78/48/01/1089784801.db2.gz NGOWMYXZOAFOSL-HNNXBMFYSA-N 1 0 314.389 3.062 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162562018 1089789888 /nfs/dbraw/zinc/78/98/88/1089789888.db2.gz BHEDJIBJEXJXEY-CHWSQXEVSA-N 1 0 307.394 3.100 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@@H]21 ZINC001157264560 1089893903 /nfs/dbraw/zinc/89/39/03/1089893903.db2.gz FIGKAIBYOPJEQV-IRXDYDNUSA-N 1 0 318.424 3.313 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001157405533 1089949078 /nfs/dbraw/zinc/94/90/78/1089949078.db2.gz ZWCBHQWEKMUFMK-UHFFFAOYSA-N 1 0 310.313 3.112 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCCC[C@]23CCC[NH2+]C3)n1 ZINC001157472263 1089985546 /nfs/dbraw/zinc/98/55/46/1089985546.db2.gz VGSLBOZKQKHAJX-OAHLLOKOSA-N 1 0 324.812 3.064 20 5 DGBDRO Cc1c([N+](=O)[O-])cc(F)cc1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162846857 1089988523 /nfs/dbraw/zinc/98/85/23/1089988523.db2.gz BSYRVTYRGJWNBI-ZDUSSCGKSA-N 1 0 301.321 3.064 20 5 DGBDRO CCOc1cc([N+](=O)[O-])ccc1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162848340 1089990930 /nfs/dbraw/zinc/99/09/30/1089990930.db2.gz HMNMOBSWBLCBNS-CYBMUJFWSA-N 1 0 313.357 3.015 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001162850285 1089992281 /nfs/dbraw/zinc/99/22/81/1089992281.db2.gz RLEAMVHBTMIWDM-ZDUSSCGKSA-N 1 0 308.341 3.098 20 5 DGBDRO O=[N+]([O-])c1ccc2c(ccnc2NC2CC3(C2)CCC[NH2+]C3)c1 ZINC001162986400 1090047114 /nfs/dbraw/zinc/04/71/14/1090047114.db2.gz LOYKNYPXFFZOQR-UHFFFAOYSA-N 1 0 312.373 3.087 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](CC[NH3+])c3ccccc32)n1 ZINC001157748372 1090097972 /nfs/dbraw/zinc/09/79/72/1090097972.db2.gz WMGFDZLPTIZLQA-CYBMUJFWSA-N 1 0 312.373 3.191 20 5 DGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001163232096 1090128375 /nfs/dbraw/zinc/12/83/75/1090128375.db2.gz OZLYDEUTJLLBJE-ZDUSSCGKSA-N 1 0 322.365 3.035 20 5 DGBDRO [NH3+]C[C@@H](Nc1ccc2c(cccc2[N+](=O)[O-])n1)c1ccccc1 ZINC001163294606 1090142554 /nfs/dbraw/zinc/14/25/54/1090142554.db2.gz VUBQVQAPCRJJAS-OAHLLOKOSA-N 1 0 308.341 3.255 20 5 DGBDRO O=[N+]([O-])c1ccnc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC001163315182 1090148674 /nfs/dbraw/zinc/14/86/74/1090148674.db2.gz LACPCBJXFGWBSN-CQSZACIVSA-N 1 0 316.405 3.222 20 5 DGBDRO Cc1cc(N(C(C)C)[C@H]2CC[NH2+]C2)nc2ccc([N+](=O)[O-])cc12 ZINC001158023083 1090174210 /nfs/dbraw/zinc/17/42/10/1090174210.db2.gz RRVKZKWCPFDCFV-AWEZNQCLSA-N 1 0 314.389 3.028 20 5 DGBDRO C[C@@]1(C[NH3+])CCCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001164247782 1090385309 /nfs/dbraw/zinc/38/53/09/1090385309.db2.gz NYKUVEQMIMDGOF-QGZVFWFLSA-N 1 0 314.389 3.098 20 5 DGBDRO C[C@@]1(C[NH3+])CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164249158 1090386267 /nfs/dbraw/zinc/38/62/67/1090386267.db2.gz VOLVFWSCNURELY-QGZVFWFLSA-N 1 0 314.389 3.098 20 5 DGBDRO [NH3+][C@H]1CCN(c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001164281675 1090393542 /nfs/dbraw/zinc/39/35/42/1090393542.db2.gz KBMUFALIPUPGGB-LBPRGKRZSA-N 1 0 315.398 3.283 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)n1 ZINC001165320218 1090502203 /nfs/dbraw/zinc/50/22/03/1090502203.db2.gz OZAHRJIJYGZXRI-CYBMUJFWSA-N 1 0 324.812 3.002 20 5 DGBDRO [NH3+]CC[C@@H]1CN(c2ccc3c([N+](=O)[O-])c[nH]c3n2)c2ccccc21 ZINC001168544534 1090525263 /nfs/dbraw/zinc/52/52/63/1090525263.db2.gz JFMNMCRKESVKSZ-LLVKDONJSA-N 1 0 323.356 3.055 20 5 DGBDRO COc1c(O)ccc(C[N@H+](CCC(C)C)C2CC2)c1[N+](=O)[O-] ZINC001204411199 1090963854 /nfs/dbraw/zinc/96/38/54/1090963854.db2.gz LZEREBIJNWPNEQ-UHFFFAOYSA-N 1 0 308.378 3.320 20 5 DGBDRO Nc1cn(-c2cccc([N+](=O)[O-])c2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001204450320 1090972257 /nfs/dbraw/zinc/97/22/57/1090972257.db2.gz NJZIOCYYOJIHJB-UHFFFAOYSA-N 1 0 324.315 3.253 20 5 DGBDRO C[N@@H+](Cc1c2ccccc2cc2ccccc21)C[C@@H]1CNCCO1 ZINC001205377587 1091206171 /nfs/dbraw/zinc/20/61/71/1091206171.db2.gz ZHAHDFUKHPZNDA-SFHVURJKSA-N 1 0 320.436 3.413 20 5 DGBDRO COc1c(O)ccc(C[NH+]2CCC(C3CCC3)CC2)c1[N+](=O)[O-] ZINC001206598783 1091684986 /nfs/dbraw/zinc/68/49/86/1091684986.db2.gz VMYCWGDVIVHPNV-UHFFFAOYSA-N 1 0 320.389 3.321 20 5 DGBDRO [NH3+][C@H]1CCc2c(c3ccccc3n2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168976318 1092456931 /nfs/dbraw/zinc/45/69/31/1092456931.db2.gz CRIUYCAPOPROCJ-MELADBBJSA-N 1 0 313.401 3.075 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCCCCCCCCO)C1 ZINC001168980399 1092458617 /nfs/dbraw/zinc/45/86/17/1092458617.db2.gz DFHBAEQHIYPHSC-JKSUJKDBSA-N 1 0 300.443 3.135 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2cccnc2)C1 ZINC001168980407 1092458852 /nfs/dbraw/zinc/45/88/52/1092458852.db2.gz DHZUSEVPHOBGTG-RHSMWYFYSA-N 1 0 311.385 3.284 20 5 DGBDRO [NH3+]Cc1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccc(Cl)cc12 ZINC001168979661 1092458870 /nfs/dbraw/zinc/45/88/70/1092458870.db2.gz ZHEZTVYEUASHQW-MFKMUULPSA-N 1 0 307.781 3.371 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccnc(Cl)c2)C2CC2)C1 ZINC001168984446 1092462145 /nfs/dbraw/zinc/46/21/45/1092462145.db2.gz OANKMJPKDKVBDJ-DGFSRKRXSA-N 1 0 309.797 3.221 20 5 DGBDRO Cc1cc(C)cc(OC[C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168962820 1092466566 /nfs/dbraw/zinc/46/65/66/1092466566.db2.gz MZXBBQBZDZSCPY-XHSDSOJGSA-N 1 0 306.406 3.106 20 5 DGBDRO Cc1c(C)n([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccc(C[NH3+])cc12 ZINC001168967087 1092468229 /nfs/dbraw/zinc/46/82/29/1092468229.db2.gz NEZYMBGUQBIYGF-CABCVRRESA-N 1 0 301.390 3.335 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001168968503 1092469846 /nfs/dbraw/zinc/46/98/46/1092469846.db2.gz ZRGVHGGXHPMCGS-NEPJUHHUSA-N 1 0 318.295 3.120 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)C1 ZINC001168993572 1092476517 /nfs/dbraw/zinc/47/65/17/1092476517.db2.gz NHKIHSSFQPNHGE-GDBMZVCRSA-N 1 0 306.381 3.326 20 5 DGBDRO COc1cccc(C2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001168992912 1092477428 /nfs/dbraw/zinc/47/74/28/1092477428.db2.gz LJURFNXKARCITM-HIFRSBDPSA-N 1 0 304.390 3.109 20 5 DGBDRO COc1cccc(CC(C)(C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168996966 1092479511 /nfs/dbraw/zinc/47/95/11/1092479511.db2.gz AFJCROYGVBIRCL-HUUCEWRRSA-N 1 0 306.406 3.051 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3F)CCC2)C1 ZINC001169000290 1092481288 /nfs/dbraw/zinc/48/12/88/1092481288.db2.gz XJJNSZSXFNDUNB-UKRRQHHQSA-N 1 0 306.381 3.326 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2cncc(Cl)c2)C2CC2)C1 ZINC001168999921 1092481646 /nfs/dbraw/zinc/48/16/46/1092481646.db2.gz WHGXKVPOONSPTG-KMUNFCNLSA-N 1 0 309.797 3.221 20 5 DGBDRO COc1cccc([C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC2)c1 ZINC001169004899 1092482720 /nfs/dbraw/zinc/48/27/20/1092482720.db2.gz RSVKYLAQYSPJMB-XGWLTEMNSA-N 1 0 304.390 3.181 20 5 DGBDRO C[N@H+](Cc1nc2ccccc2s1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013394 1092487132 /nfs/dbraw/zinc/48/71/32/1092487132.db2.gz UUQGPIGGWINDJG-NEPJUHHUSA-N 1 0 305.403 3.174 20 5 DGBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986705 1092490611 /nfs/dbraw/zinc/49/06/11/1092490611.db2.gz YPYYKIPNVWBFHD-YDHLFZDLSA-N 1 0 314.389 3.188 20 5 DGBDRO [NH3+]Cc1ccc(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C(F)(F)F ZINC001168986917 1092491521 /nfs/dbraw/zinc/49/15/21/1092491521.db2.gz GDJUKUZXDYHOGC-KOLCDFICSA-N 1 0 317.311 3.021 20 5 DGBDRO [NH3+]Cc1ccc(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(C(F)(F)F)c1 ZINC001168988129 1092492181 /nfs/dbraw/zinc/49/21/81/1092492181.db2.gz OBQOKGNTZCNKNB-WDEREUQCSA-N 1 0 317.311 3.021 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CC(OCC4CC4)C3)CC2)C1 ZINC001169030377 1092494799 /nfs/dbraw/zinc/49/47/99/1092494799.db2.gz ZCSKQMPSEFQCMV-HZPDHXFCSA-N 1 0 322.449 3.103 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(COc3ccccc3)CC2)C1 ZINC001169026362 1092508392 /nfs/dbraw/zinc/50/83/92/1092508392.db2.gz LHZSGUYEQUJLBW-SJORKVTESA-N 1 0 318.417 3.223 20 5 DGBDRO O=[N+]([O-])c1cc(Nc2c[nH+]ccc2N2CCCC2)ccc1F ZINC001211191588 1093411619 /nfs/dbraw/zinc/41/16/19/1093411619.db2.gz ZAKBNPYLBMKIGH-UHFFFAOYSA-N 1 0 302.309 3.473 20 5 DGBDRO Cc1ccc2[nH+]c(N)n(-c3c(F)ccc([N+](=O)[O-])c3F)c2c1 ZINC001215285641 1093950982 /nfs/dbraw/zinc/95/09/82/1093950982.db2.gz RGVNNYKGVRLNJY-UHFFFAOYSA-N 1 0 304.256 3.103 20 5 DGBDRO Cc1cc(Nc2cc(F)cc([N+](=O)[O-])c2)n(-c2cc[nH+]cc2)n1 ZINC001216482679 1094206646 /nfs/dbraw/zinc/20/66/46/1094206646.db2.gz PUQQUXAAFGRXJB-UHFFFAOYSA-N 1 0 313.292 3.367 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2C)cc([N+](=O)[O-])c1 ZINC001120364507 1094415366 /nfs/dbraw/zinc/41/53/66/1094415366.db2.gz LRLQOBCVEJNZAF-GHMZBOCLSA-N 1 0 318.377 3.057 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@H]2CCC[NH2+]C[C@H]2F)c2ccccc21 ZINC001217762090 1094491378 /nfs/dbraw/zinc/49/13/78/1094491378.db2.gz COPHNKISDIKXKF-WBVHZDCISA-N 1 0 318.348 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@H]2CCC[NH2+]C[C@@H]2F)c2ccccc21 ZINC001217762089 1094491911 /nfs/dbraw/zinc/49/19/11/1094491911.db2.gz COPHNKISDIKXKF-RDJZCZTQSA-N 1 0 318.348 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C[C@H]2F)c(C(F)(F)F)c1 ZINC001217944276 1094523881 /nfs/dbraw/zinc/52/38/81/1094523881.db2.gz GWTUSBXRLULOIG-PWSUYJOCSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217944335 1094524062 /nfs/dbraw/zinc/52/40/62/1094524062.db2.gz HKRFMPPBKUKEID-KOLCDFICSA-N 1 0 322.258 3.083 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@H]3C[NH2+]CC[C@@H]3F)ccc12 ZINC001217961237 1094531585 /nfs/dbraw/zinc/53/15/85/1094531585.db2.gz GMUTZJQVQNPGDD-YOEHRIQHSA-N 1 0 313.328 3.025 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC[C@@H]2F)cc1C(F)(F)F ZINC001217970909 1094535532 /nfs/dbraw/zinc/53/55/32/1094535532.db2.gz CUFBKUVWOWHXQH-JQWIXIFHSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217976272 1094538641 /nfs/dbraw/zinc/53/86/41/1094538641.db2.gz KWKXTGDUAOXHSI-SKDRFNHKSA-N 1 0 322.258 3.083 20 5 DGBDRO F[C@H]1CCC[NH2+]C[C@@H]1Oc1ccnc2c1ccc1cccnc12 ZINC001217984868 1094542895 /nfs/dbraw/zinc/54/28/95/1094542895.db2.gz NVHYDPNXUHNIDC-HOCLYGCPSA-N 1 0 311.360 3.252 20 5 DGBDRO C[C@H](Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218001972 1094551747 /nfs/dbraw/zinc/55/17/47/1094551747.db2.gz JKSCESDMFHCBSU-VIFPVBQESA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1sccc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001120923583 1094555745 /nfs/dbraw/zinc/55/57/45/1094555745.db2.gz JPSCHBPGHSEWOE-UHFFFAOYSA-N 1 0 304.375 3.132 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001218042997 1094574725 /nfs/dbraw/zinc/57/47/25/1094574725.db2.gz CGTUSRBNMWFFLC-RDDDGLTNSA-N 1 0 305.161 3.278 20 5 DGBDRO C[C@@H]1C[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218056502 1094579291 /nfs/dbraw/zinc/57/92/91/1094579291.db2.gz OMUIYXOWQIBFAZ-PSASIEDQSA-N 1 0 304.268 3.133 20 5 DGBDRO C[C@H]1C[C@@H](Oc2ccc3c(c2)oc2ccccc2c3=O)CC[NH2+]1 ZINC001218057458 1094580199 /nfs/dbraw/zinc/58/01/99/1094580199.db2.gz RQMHZPGHDODVMI-JSGCOSHPSA-N 1 0 309.365 3.466 20 5 DGBDRO c1ccc2c(c1)ccc1c2ccnc1OC[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001218084527 1094592289 /nfs/dbraw/zinc/59/22/89/1094592289.db2.gz PPHFJARKNZWKEB-NIKGAXFTSA-N 1 0 320.392 3.001 20 5 DGBDRO c1ccc2c(c1)nc(O[C@@H]1CCOC3(C[NH2+]C3)C1)c1ccccc21 ZINC001218085841 1094593890 /nfs/dbraw/zinc/59/38/90/1094593890.db2.gz FOQTXZUXHKXAAG-CQSZACIVSA-N 1 0 320.392 3.288 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218113664 1094609880 /nfs/dbraw/zinc/60/98/80/1094609880.db2.gz CMAZAMBODSACCC-OLZOCXBDSA-N 1 0 317.172 3.423 20 5 DGBDRO Cc1cc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])cc1Cl ZINC001218144838 1094631557 /nfs/dbraw/zinc/63/15/57/1094631557.db2.gz BSPJSMMMDYLAFM-UHIISALHSA-N 1 0 310.781 3.324 20 5 DGBDRO C[NH2+][C@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 ZINC001218190006 1094649409 /nfs/dbraw/zinc/64/94/09/1094649409.db2.gz SCBWKVKCXZASLZ-KYZUINATSA-N 1 0 324.768 3.034 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)cc1Cl ZINC001218252852 1094682016 /nfs/dbraw/zinc/68/20/16/1094682016.db2.gz VLUGVWOEORTMIQ-SOCHQFKDSA-N 1 0 317.172 3.421 20 5 DGBDRO F[C@H]1[C@H]2CC[C@@H](C[C@@H]1Oc1ccc3nc4ccccc4nc3c1)[NH2+]2 ZINC001218269894 1094689173 /nfs/dbraw/zinc/68/91/73/1094689173.db2.gz HTGBLMHHOIUIBH-TVPZCNGMSA-N 1 0 323.371 3.393 20 5 DGBDRO c1ccc2c(c1)nc(OC[C@H]1C[NH2+]CCCO1)c1ccccc21 ZINC001218300688 1094704999 /nfs/dbraw/zinc/70/49/99/1094704999.db2.gz QGXWSKSDUVLWJJ-CQSZACIVSA-N 1 0 308.381 3.145 20 5 DGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001218313349 1094709339 /nfs/dbraw/zinc/70/93/39/1094709339.db2.gz AKFDGRIUYGILAS-LBPRGKRZSA-N 1 0 318.295 3.381 20 5 DGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C=CC[NH2+]C2)c1Cl ZINC001218330336 1094720701 /nfs/dbraw/zinc/72/07/01/1094720701.db2.gz DPEDEJGKQZSWOH-MRVPVSSYSA-N 1 0 317.172 3.371 20 5 DGBDRO C[C@@H]1CC[C@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C[NH2+]1 ZINC001218395324 1094747346 /nfs/dbraw/zinc/74/73/46/1094747346.db2.gz VXEBVXGLPGMXSJ-SFYZADRCSA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@H]1CC[C@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C[NH2+]1 ZINC001218399337 1094750326 /nfs/dbraw/zinc/75/03/26/1094750326.db2.gz PLFODHXEXYVUOE-JSGCOSHPSA-N 1 0 309.365 3.466 20 5 DGBDRO C[C@H]1CC[C@@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218399062 1094750379 /nfs/dbraw/zinc/75/03/79/1094750379.db2.gz NOKNGLXNMGLNKO-WCBMZHEXSA-N 1 0 320.267 3.013 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001218418450 1094765413 /nfs/dbraw/zinc/76/54/13/1094765413.db2.gz ZJNSUOJBJBZTQD-APPZFPTMSA-N 1 0 305.161 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(Cl)cc1Cl ZINC001218441947 1094776559 /nfs/dbraw/zinc/77/65/59/1094776559.db2.gz KUBRUNLJGAWVRU-AKGNYGMASA-N 1 0 303.145 3.031 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c(Cl)c1 ZINC001218459685 1094788955 /nfs/dbraw/zinc/78/89/55/1094788955.db2.gz HCFWQAOYUXLAEJ-QOSJWCAFSA-N 1 0 317.172 3.278 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)nc2c1 ZINC001218460738 1094790341 /nfs/dbraw/zinc/79/03/41/1094790341.db2.gz NTWCYGRWVOCHNV-PBFPGSCMSA-N 1 0 305.381 3.160 20 5 DGBDRO O=[N+]([O-])c1cccc(O[C@H]2C[NH2+]Cc3ccccc32)c1Cl ZINC001218484161 1094807253 /nfs/dbraw/zinc/80/72/53/1094807253.db2.gz IHKDJMGCGVGDEB-AWEZNQCLSA-N 1 0 304.733 3.472 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(F)c(O[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC001218485891 1094811648 /nfs/dbraw/zinc/81/16/48/1094811648.db2.gz FRSHNHQKJBQUEX-CQSZACIVSA-N 1 0 306.268 3.096 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218487159 1094812255 /nfs/dbraw/zinc/81/22/55/1094812255.db2.gz MZQVOWXCKWIMJN-CQSZACIVSA-N 1 0 304.733 3.472 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2C[NH2+]Cc3ccccc32)cc1F ZINC001218491817 1094819585 /nfs/dbraw/zinc/81/95/85/1094819585.db2.gz WQUKSYPRVLUDPW-HNNXBMFYSA-N 1 0 306.268 3.096 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001171035972 1095166602 /nfs/dbraw/zinc/16/66/02/1095166602.db2.gz JNXJVILLZDTIDV-WBMJQRKESA-N 1 0 319.405 3.480 20 5 DGBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001116444694 1095556404 /nfs/dbraw/zinc/55/64/04/1095556404.db2.gz DDPMZRFGVVCWTG-UHFFFAOYSA-N 1 0 322.405 3.492 20 5 DGBDRO CC[N@@H+](Cc1ccccc1F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001116479242 1095570331 /nfs/dbraw/zinc/57/03/31/1095570331.db2.gz PCTWYYQTQOJLNY-QGZVFWFLSA-N 1 0 318.348 3.289 20 5 DGBDRO CC(C)[NH+]1CCC(OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001222928351 1095792613 /nfs/dbraw/zinc/79/26/13/1095792613.db2.gz DZGGLJSDGPCQTD-UHFFFAOYSA-N 1 0 319.361 3.125 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001118486544 1096021515 /nfs/dbraw/zinc/02/15/15/1096021515.db2.gz HBWOGNXDZTVDSH-RCBQFDQVSA-N 1 0 321.421 3.127 20 5 DGBDRO CCOC(=O)[C@@H](O[C@H](C)C[N+](C)(C)C)c1ccccc1Cl ZINC001223771058 1096059671 /nfs/dbraw/zinc/05/96/71/1096059671.db2.gz GVLQMXSCJOHNDT-DOMZBBRYSA-N 1 0 314.833 3.056 20 5 DGBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1c(CC[NH3+])cc2ccccc21 ZINC001171302828 1096221636 /nfs/dbraw/zinc/22/16/36/1096221636.db2.gz VSVADIKNHSQFBD-UHFFFAOYSA-N 1 0 313.332 3.487 20 5 DGBDRO C[N+](C)(C)CCCO[C@@H]1Cc2ccc(Br)cc2C1 ZINC001224618848 1096247264 /nfs/dbraw/zinc/24/72/64/1096247264.db2.gz IXZDUFIOLZMBCK-OAHLLOKOSA-N 1 0 313.259 3.029 20 5 DGBDRO CC(C)C(=O)OCC(C)(C)[C@@H](OCCC[N+](C)(C)C)C(C)C ZINC001224622673 1096249084 /nfs/dbraw/zinc/24/90/84/1096249084.db2.gz IREABMSQCLVEGB-INIZCTEOSA-N 1 0 316.506 3.349 20 5 DGBDRO CC(C)CCOC(=O)[C@@H](OCC[N+](C)(C)C)c1ccccc1 ZINC001224776484 1096282691 /nfs/dbraw/zinc/28/26/91/1096282691.db2.gz WGPVRRQNRCAHHX-KRWDZBQOSA-N 1 0 308.442 3.040 20 5 DGBDRO Cc1cc(C)c(-n2cc3ccc(C[NH3+])cc3n2)c(C)c1[N+](=O)[O-] ZINC001171325153 1096338879 /nfs/dbraw/zinc/33/88/79/1096338879.db2.gz WGSCNHSSLJABLE-UHFFFAOYSA-N 1 0 310.357 3.318 20 5 DGBDRO CCc1cc2c(C)cc(=O)oc2cc1O[C@H](C)C[N+](C)(C)C ZINC001225509384 1096452918 /nfs/dbraw/zinc/45/29/18/1096452918.db2.gz ZWZBFWGCNBWIRA-CYBMUJFWSA-N 1 0 304.410 3.137 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Br)c2cccnc12 ZINC001225613926 1096483067 /nfs/dbraw/zinc/48/30/67/1096483067.db2.gz XCSLDJRSUMNJBZ-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC001225632442 1096490026 /nfs/dbraw/zinc/49/00/26/1096490026.db2.gz LLLSRQSWEXSDBV-HNNXBMFYSA-N 1 0 301.346 3.062 20 5 DGBDRO COc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC001225768864 1096524617 /nfs/dbraw/zinc/52/46/17/1096524617.db2.gz DYYDEODIPCTVKR-NHAGDIPZSA-N 1 0 320.389 3.386 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001225956594 1096573802 /nfs/dbraw/zinc/57/38/02/1096573802.db2.gz NXOFMVSIPXWYBD-LLVKDONJSA-N 1 0 318.295 3.477 20 5 DGBDRO C[NH+](C)C1CCC(Oc2c(F)c(F)ccc2[N+](=O)[O-])CC1 ZINC001225963417 1096576138 /nfs/dbraw/zinc/57/61/38/1096576138.db2.gz RKCUZRAYTCEROA-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001226266313 1096649090 /nfs/dbraw/zinc/64/90/90/1096649090.db2.gz RXEVXPOMRJZCLK-OAHLLOKOSA-N 1 0 316.332 3.387 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@H]1C[NH+]2CCC1CC2 ZINC001226302622 1096657513 /nfs/dbraw/zinc/65/75/13/1096657513.db2.gz FZPOUMBUPSYWFS-ZDUSSCGKSA-N 1 0 316.279 3.087 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001226313465 1096659713 /nfs/dbraw/zinc/65/97/13/1096659713.db2.gz RBYZIWICEAGVGD-SECBINFHSA-N 1 0 307.292 3.087 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2ccc(Cl)cc2)nn1 ZINC001226490352 1096703582 /nfs/dbraw/zinc/70/35/82/1096703582.db2.gz QENBEZLXMWUQIV-GFCCVEGCSA-N 1 0 306.817 3.271 20 5 DGBDRO O=c1oc2cc(O[C@H]3C[NH+]4CCC3CC4)ccc2c2ccccc21 ZINC001226515779 1096710040 /nfs/dbraw/zinc/71/00/40/1096710040.db2.gz VLNXBGROIIDHHJ-IBGZPJMESA-N 1 0 321.376 3.419 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1OC1CC[NH+](C2CC2)CC1 ZINC001227152603 1096880979 /nfs/dbraw/zinc/88/09/79/1096880979.db2.gz DQUBYAGCVUIYAV-UHFFFAOYSA-N 1 0 314.744 3.393 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(Cl)nc2ccc(Cl)cc21 ZINC001227307137 1096915152 /nfs/dbraw/zinc/91/51/52/1096915152.db2.gz RRCLXCVDDMMCPH-VIFPVBQESA-N 1 0 315.224 3.410 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC001171653646 1096940331 /nfs/dbraw/zinc/94/03/31/1096940331.db2.gz LVFNRDYQATUXMD-CZUORRHYSA-N 1 0 305.422 3.318 20 5 DGBDRO COc1cc(Br)c(F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001227606303 1096959635 /nfs/dbraw/zinc/95/96/35/1096959635.db2.gz FBLNULJWUIJCGD-VIFPVBQESA-N 1 0 321.210 3.070 20 5 DGBDRO CC(=O)c1c(Br)cccc1O[C@@H](C)C[N+](C)(C)C ZINC001228077327 1097046025 /nfs/dbraw/zinc/04/60/25/1097046025.db2.gz QJOQPWZROHHPAJ-JTQLQIEISA-N 1 0 315.231 3.125 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])c2cccnc12 ZINC001228135999 1097059316 /nfs/dbraw/zinc/05/93/16/1097059316.db2.gz OXGILWKAILTWOA-LBPRGKRZSA-N 1 0 303.362 3.252 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001228256822 1097082930 /nfs/dbraw/zinc/08/29/30/1097082930.db2.gz BJHBPJYWAWDYQM-QHBPRCKVSA-N 1 0 310.781 3.357 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ccccc2cc1Br ZINC001228295668 1097091648 /nfs/dbraw/zinc/09/16/48/1097091648.db2.gz LNPPFZBKDKMJES-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])CC1 ZINC001228614247 1097152886 /nfs/dbraw/zinc/15/28/86/1097152886.db2.gz VBARIZUMOQYFSX-XYPYZODXSA-N 1 0 300.305 3.125 20 5 DGBDRO Cc1cc2[nH]c(O[C@@H]3CCC[N@@H+](C(C)C)C3)nc2cc1[N+](=O)[O-] ZINC001228673490 1097164238 /nfs/dbraw/zinc/16/42/38/1097164238.db2.gz GUQXVSKKPSCSSW-GFCCVEGCSA-N 1 0 318.377 3.031 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC001228929980 1097218920 /nfs/dbraw/zinc/21/89/20/1097218920.db2.gz INFDYBYACPHQQP-SNVBAGLBSA-N 1 0 318.295 3.477 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001229005430 1097235125 /nfs/dbraw/zinc/23/51/25/1097235125.db2.gz IIMDOILITCKRAC-CQSZACIVSA-N 1 0 301.346 3.006 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(OC3CC[NH+](C4CC4)CC3)c2c1 ZINC001229007817 1097236222 /nfs/dbraw/zinc/23/62/22/1097236222.db2.gz JYPSIIWQHMBJPF-UHFFFAOYSA-N 1 0 313.357 3.149 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ncc(Br)cc2c1 ZINC001229130224 1097261730 /nfs/dbraw/zinc/26/17/30/1097261730.db2.gz QNYHCWWTWDDTKG-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCCCO1)CC2 ZINC001172899014 1097267775 /nfs/dbraw/zinc/26/77/75/1097267775.db2.gz KMBPSWCHVLQFJC-RDJZCZTQSA-N 1 0 304.390 3.001 20 5 DGBDRO COC1CCC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172902454 1097268274 /nfs/dbraw/zinc/26/82/74/1097268274.db2.gz YRQRVEJOCQZTGN-HJOIGYKYSA-N 1 0 318.417 3.389 20 5 DGBDRO CO[C@H]1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172902453 1097268295 /nfs/dbraw/zinc/26/82/95/1097268295.db2.gz YRQRVEJOCQZTGN-BQFCYCMXSA-N 1 0 318.417 3.389 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(F)n1)CC2 ZINC001172901594 1097268429 /nfs/dbraw/zinc/26/84/29/1097268429.db2.gz OLAIVNNONOMBFO-AWEZNQCLSA-N 1 0 315.348 3.166 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccno1 ZINC001172907075 1097269347 /nfs/dbraw/zinc/26/93/47/1097269347.db2.gz CNNZOALBRUTLHL-RISCZKNCSA-N 1 0 301.346 3.181 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001229179433 1097271781 /nfs/dbraw/zinc/27/17/81/1097271781.db2.gz LKHHZJWFOMLXMS-ZDUSSCGKSA-N 1 0 306.362 3.049 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1nccs1)CC2 ZINC001172896616 1097278280 /nfs/dbraw/zinc/27/82/80/1097278280.db2.gz PTGQHFVFHFBNMG-AWEZNQCLSA-N 1 0 317.414 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1cccnc1)CC2 ZINC001172895626 1097278398 /nfs/dbraw/zinc/27/83/98/1097278398.db2.gz GQDYUQZBYLFGHS-QGZVFWFLSA-N 1 0 311.385 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1nccs1)CC2 ZINC001172896619 1097278468 /nfs/dbraw/zinc/27/84/68/1097278468.db2.gz PTGQHFVFHFBNMG-CQSZACIVSA-N 1 0 317.414 3.131 20 5 DGBDRO CC(=O)C1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172914233 1097279284 /nfs/dbraw/zinc/27/92/84/1097279284.db2.gz FGYVXCXFPNECMN-QGZVFWFLSA-N 1 0 316.401 3.143 20 5 DGBDRO CC[N@H+](C1CCOCC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914791 1097279356 /nfs/dbraw/zinc/27/93/56/1097279356.db2.gz IVDRAFVBIPLJBU-INIZCTEOSA-N 1 0 318.417 3.343 20 5 DGBDRO CC(C)[C@@H]1COCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172920206 1097281164 /nfs/dbraw/zinc/28/11/64/1097281164.db2.gz IXICHHIQIDZXHI-AEFFLSMTSA-N 1 0 318.417 3.199 20 5 DGBDRO C[N@H+](Cc1ccncc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909704 1097291245 /nfs/dbraw/zinc/29/12/45/1097291245.db2.gz UZUJZZQAVPIGSG-QGZVFWFLSA-N 1 0 311.385 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1Cc3cccnc3C1)CC2 ZINC001172909435 1097291290 /nfs/dbraw/zinc/29/12/90/1097291290.db2.gz RTSMAUQDCICRRB-INIZCTEOSA-N 1 0 309.369 3.253 20 5 DGBDRO CO[C@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910391 1097291535 /nfs/dbraw/zinc/29/15/35/1097291535.db2.gz YRQRVEJOCQZTGN-XYJFISCASA-N 1 0 318.417 3.389 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](n1ccc3c1CC[NH2+]C3)CC2 ZINC001172912653 1097292109 /nfs/dbraw/zinc/29/21/09/1097292109.db2.gz LCOTXCZJTIPDLB-MRXNPFEDSA-N 1 0 311.385 3.162 20 5 DGBDRO CC(C)[C@H]1COCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912147 1097292410 /nfs/dbraw/zinc/29/24/10/1097292410.db2.gz IXICHHIQIDZXHI-FUHWJXTLSA-N 1 0 318.417 3.199 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc([N+](=O)[O-])cc3cccnc31)C2 ZINC001229342502 1097301286 /nfs/dbraw/zinc/30/12/86/1097301286.db2.gz ALTNAYHKLTUCQT-AGGWBTHJSA-N 1 0 313.357 3.147 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229344204 1097301503 /nfs/dbraw/zinc/30/15/03/1097301503.db2.gz SECHCEAYVOPOTN-OAHLLOKOSA-N 1 0 315.373 3.395 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC001229397962 1097312537 /nfs/dbraw/zinc/31/25/37/1097312537.db2.gz OSWHUNBWOKBZBX-ZDUSSCGKSA-N 1 0 322.386 3.434 20 5 DGBDRO C[C@@H](c1cccc(O[C@H](C[N+](=O)[O-])c2cccnc2)c1)[NH+](C)C ZINC001229626399 1097355213 /nfs/dbraw/zinc/35/52/13/1097355213.db2.gz LVJRTNRADZGXHQ-SUMWQHHRSA-N 1 0 315.373 3.101 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC=CCC2)c1F ZINC001173177511 1097355598 /nfs/dbraw/zinc/35/55/98/1097355598.db2.gz BBZCSUWHIAUZNT-NEPJUHHUSA-N 1 0 308.353 3.372 20 5 DGBDRO CCSCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173176607 1097356111 /nfs/dbraw/zinc/35/61/11/1097356111.db2.gz KNDJKRGUMYNMNL-JTQLQIEISA-N 1 0 316.398 3.016 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2C=CCCC2)c1F ZINC001173178806 1097356756 /nfs/dbraw/zinc/35/67/56/1097356756.db2.gz INHIVXCOSVQSKB-NEPJUHHUSA-N 1 0 308.353 3.372 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC2(COC2)CC1 ZINC001173216311 1097367621 /nfs/dbraw/zinc/36/76/21/1097367621.db2.gz IQNQZDMCCYXDSM-AWEZNQCLSA-N 1 0 318.417 3.322 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001173218204 1097369739 /nfs/dbraw/zinc/36/97/39/1097369739.db2.gz PDRODBSPRXYCLW-NSHDSACASA-N 1 0 316.336 3.065 20 5 DGBDRO C[C@H](Cc1cccc(O)c1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219603 1097370728 /nfs/dbraw/zinc/37/07/28/1097370728.db2.gz DTRDVXWKCVQFGJ-UONOGXRCSA-N 1 0 314.385 3.452 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001173225143 1097374043 /nfs/dbraw/zinc/37/40/43/1097374043.db2.gz BNFOUQWFDCBPKE-ZBFHGGJFSA-N 1 0 311.385 3.410 20 5 DGBDRO COC[C@@]12CCC[C@@H]1C[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173226455 1097374837 /nfs/dbraw/zinc/37/48/37/1097374837.db2.gz QOVQMRGELXEPJC-KYJSFNMBSA-N 1 0 318.417 3.274 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCC2)CC1 ZINC001173228701 1097375882 /nfs/dbraw/zinc/37/58/82/1097375882.db2.gz YQKMKQQDWOMFEV-HNNXBMFYSA-N 1 0 317.433 3.086 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CCO)Cc1cccs1 ZINC001173227916 1097375917 /nfs/dbraw/zinc/37/59/17/1097375917.db2.gz SMMQWUPZAQXMBE-CYBMUJFWSA-N 1 0 320.414 3.082 20 5 DGBDRO Cc1nc2c(s1)C[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173227245 1097376433 /nfs/dbraw/zinc/37/64/33/1097376433.db2.gz OWFUJCOQNFXSNK-NSHDSACASA-N 1 0 317.414 3.349 20 5 DGBDRO Cc1nc(C)c(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001173233614 1097377529 /nfs/dbraw/zinc/37/75/29/1097377529.db2.gz JZMIEIHOIBDVLX-JTQLQIEISA-N 1 0 305.403 3.389 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001173235690 1097378368 /nfs/dbraw/zinc/37/83/68/1097378368.db2.gz YOESTLQFJQOJCC-DZGCQCFKSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001173234877 1097378578 /nfs/dbraw/zinc/37/85/78/1097378578.db2.gz ULOSKYVRRFMHQU-DZGCQCFKSA-N 1 0 322.380 3.119 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COc2ccc(F)cc21 ZINC001173236126 1097379375 /nfs/dbraw/zinc/37/93/75/1097379375.db2.gz XCTMSBCBRXWDBO-ZBEGNZNMSA-N 1 0 316.332 3.388 20 5 DGBDRO CC(C)N(CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001173212273 1097381189 /nfs/dbraw/zinc/38/11/89/1097381189.db2.gz YUCDGZKTPQIZCJ-HNNXBMFYSA-N 1 0 307.438 3.234 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(O)cc1 ZINC001173210045 1097381395 /nfs/dbraw/zinc/38/13/95/1097381395.db2.gz GZQGZGJTVXDLPS-ZDUSSCGKSA-N 1 0 300.358 3.064 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H](O)c1ccccc1 ZINC001173214636 1097382407 /nfs/dbraw/zinc/38/24/07/1097382407.db2.gz DATBZMAWIRHHHD-KBXCAEBGSA-N 1 0 314.385 3.239 20 5 DGBDRO CCOCc1ccc(O[C@H](C)C[N+](C)(C)C)c2ncccc12 ZINC001230963572 1097633773 /nfs/dbraw/zinc/63/37/73/1097633773.db2.gz RUXLAJIVAMCOLA-CQSZACIVSA-N 1 0 303.426 3.245 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231156044 1097684077 /nfs/dbraw/zinc/68/40/77/1097684077.db2.gz GRZVERRHRWUGSC-CYBMUJFWSA-N 1 0 301.346 3.005 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070293 1097937181 /nfs/dbraw/zinc/93/71/81/1097937181.db2.gz PYOIDWKHIRSQJZ-WBAXXEDZSA-N 1 0 317.433 3.238 20 5 DGBDRO COC[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218273 1097970256 /nfs/dbraw/zinc/97/02/56/1097970256.db2.gz FJDHMONRGATFQT-AWEZNQCLSA-N 1 0 307.397 3.251 20 5 DGBDRO OCC[C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232221880 1097973229 /nfs/dbraw/zinc/97/32/29/1097973229.db2.gz FYQZQAOJUJEWBG-OAHLLOKOSA-N 1 0 321.424 3.377 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(CN3CC[N@@H+]4CCC[C@H]4C3)nc12 ZINC001232221654 1097973529 /nfs/dbraw/zinc/97/35/29/1097973529.db2.gz JKLBKYZOSIQMKO-SFHVURJKSA-N 1 0 318.424 3.063 20 5 DGBDRO CC(C)[N@H+](CCCO)Cc1ccc2ccc3cccnc3c2n1 ZINC001232222835 1097973594 /nfs/dbraw/zinc/97/35/94/1097973594.db2.gz ZXVJQEOVBSJHHS-UHFFFAOYSA-N 1 0 309.413 3.376 20 5 DGBDRO Cc1cc(Nc2cc([N+](=O)[O-])ccc2F)n(-c2cc[nH+]cc2)n1 ZINC001175735095 1098148549 /nfs/dbraw/zinc/14/85/49/1098148549.db2.gz IJQVDEULNZVMRD-UHFFFAOYSA-N 1 0 313.292 3.367 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1c2cccnc2ccc1[N+](=O)[O-] ZINC001233778339 1098429964 /nfs/dbraw/zinc/42/99/64/1098429964.db2.gz IXEXLYPOCMAYBL-GFCCVEGCSA-N 1 0 303.362 3.252 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)C1CCCCC1 ZINC001177624341 1098569768 /nfs/dbraw/zinc/56/97/68/1098569768.db2.gz JYLDZAHPMOHYAN-KRWDZBQOSA-N 1 0 306.406 3.242 20 5 DGBDRO CC(=O)c1ccc(Br)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234598229 1098614591 /nfs/dbraw/zinc/61/45/91/1098614591.db2.gz GOAKMDBOGPXCQJ-JTQLQIEISA-N 1 0 315.231 3.125 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)C1CCCC1 ZINC001179673851 1099174041 /nfs/dbraw/zinc/17/40/41/1099174041.db2.gz XXIISFCUVXIZHG-MRXNPFEDSA-N 1 0 322.405 3.024 20 5 DGBDRO CCCC[N@H+](CCO)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001180438021 1099406332 /nfs/dbraw/zinc/40/63/32/1099406332.db2.gz UHFVHOCICSCWQC-UHFFFAOYSA-N 1 0 320.311 3.208 20 5 DGBDRO Cc1cc(N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC001187625442 1099561826 /nfs/dbraw/zinc/56/18/26/1099561826.db2.gz VXZRDJUFEMFZHS-NSHDSACASA-N 1 0 309.435 3.418 20 5 DGBDRO CC(C)C[C@H]1C[N@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC001187708965 1099581209 /nfs/dbraw/zinc/58/12/09/1099581209.db2.gz OLNVHSDVNGLVRH-ZDUSSCGKSA-N 1 0 311.813 3.415 20 5 DGBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1C ZINC001193607021 1100783058 /nfs/dbraw/zinc/78/30/58/1100783058.db2.gz RWUGGEZWVYBNHT-KGLIPLIRSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC001194817666 1101015986 /nfs/dbraw/zinc/01/59/86/1101015986.db2.gz REBQPVQFOCDUMH-OAHLLOKOSA-N 1 0 304.390 3.486 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196907383 1101431859 /nfs/dbraw/zinc/43/18/59/1101431859.db2.gz MJWPNVGSMABDMG-CKEIUWERSA-N 1 0 306.406 3.218 20 5 DGBDRO C[C@@H](NCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001197646333 1101623441 /nfs/dbraw/zinc/62/34/41/1101623441.db2.gz DWZZDNWGEQUUIN-SOUVJXGZSA-N 1 0 305.422 3.223 20 5 DGBDRO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001197799413 1101668243 /nfs/dbraw/zinc/66/82/43/1101668243.db2.gz WTFTVJWXGCVLTF-ZDUSSCGKSA-N 1 0 321.396 3.183 20 5 DGBDRO CCOc1cc(C[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001198468509 1101868228 /nfs/dbraw/zinc/86/82/28/1101868228.db2.gz XZBRYGJXTIKADF-XJKSGUPXSA-N 1 0 322.430 3.178 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001198685183 1101957542 /nfs/dbraw/zinc/95/75/42/1101957542.db2.gz HXKIBZCVUNVVGS-HOCLYGCPSA-N 1 0 320.389 3.007 20 5 DGBDRO CCOc1cccc(CNCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001201425254 1102588505 /nfs/dbraw/zinc/58/85/05/1102588505.db2.gz OWOORKRUAHNJBK-UHFFFAOYSA-N 1 0 321.764 3.332 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2COC3(CCCCC3)O2)cccc1[N+](=O)[O-] ZINC001201684440 1102703222 /nfs/dbraw/zinc/70/32/22/1102703222.db2.gz JASHXHNQNGUILN-OAHLLOKOSA-N 1 0 320.389 3.069 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cccc2cnccc21 ZINC001202228282 1102880092 /nfs/dbraw/zinc/88/00/92/1102880092.db2.gz TUNRHPFTSKAOQW-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO CC(C)[NH+]1CCC(c2nnc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001325428199 1103028749 /nfs/dbraw/zinc/02/87/49/1103028749.db2.gz QZNDOBSAVQRNAG-UHFFFAOYSA-N 1 0 316.361 3.233 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001246650096 1104647748 /nfs/dbraw/zinc/64/77/48/1104647748.db2.gz GUTUZAMHGNTQSS-MAUKXSAKSA-N 1 0 317.433 3.134 20 5 DGBDRO Cc1ccc(-c2nc3ccccc3n2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001247051237 1104787549 /nfs/dbraw/zinc/78/75/49/1104787549.db2.gz XSLMJKYLGIEGAE-ZDUSSCGKSA-N 1 0 322.368 3.454 20 5 DGBDRO N[C@H](CC[NH3+])c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001248476149 1105118249 /nfs/dbraw/zinc/11/82/49/1105118249.db2.gz HZYRFQIFQCISNF-QGZVFWFLSA-N 1 0 318.380 3.392 20 5 DGBDRO COc1ccc(Nc2ccc(CC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC001248483490 1105118598 /nfs/dbraw/zinc/11/85/98/1105118598.db2.gz WFAGBPXHNWTRPG-UHFFFAOYSA-N 1 0 315.373 3.451 20 5 DGBDRO Cc1ccccc1-c1noc(C[C@@H]([NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC001249341996 1105271490 /nfs/dbraw/zinc/27/14/90/1105271490.db2.gz GFKKOVYGSPWEQO-CQSZACIVSA-N 1 0 324.340 3.196 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475693 1106078363 /nfs/dbraw/zinc/07/83/63/1106078363.db2.gz GXMHAXSYXOOGSQ-CQSZACIVSA-N 1 0 303.406 3.438 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc2ccccc2n1C ZINC001254533239 1106096071 /nfs/dbraw/zinc/09/60/71/1106096071.db2.gz YPBULQPQTQIEIV-CYBMUJFWSA-N 1 0 324.384 3.202 20 5 DGBDRO Cc1ccn2c(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])cnc2c1 ZINC001254533274 1106096670 /nfs/dbraw/zinc/09/66/70/1106096670.db2.gz ZMIAUJFJTUVZSB-CQSZACIVSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC2(COC2)CC1 ZINC001254537935 1106097643 /nfs/dbraw/zinc/09/76/43/1106097643.db2.gz KGESLDRBRRKPEU-AWEZNQCLSA-N 1 0 318.417 3.322 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(F)cn1 ZINC001254536771 1106098041 /nfs/dbraw/zinc/09/80/41/1106098041.db2.gz SWHPYEDNNSVSEQ-NEPJUHHUSA-N 1 0 303.337 3.411 20 5 DGBDRO CCOc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254537822 1106098156 /nfs/dbraw/zinc/09/81/56/1106098156.db2.gz HZMSUVDBHCTULD-CYBMUJFWSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCCCC1 ZINC001254539003 1106098698 /nfs/dbraw/zinc/09/86/98/1106098698.db2.gz CVKVXHWTDXQFDP-CZUORRHYSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](CCCC(C)(C)O)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540753 1106098853 /nfs/dbraw/zinc/09/88/53/1106098853.db2.gz VYSDJTUABZZAAJ-KBPBESRZSA-N 1 0 308.422 3.445 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH3+])c2ccccc21 ZINC001254541034 1106099754 /nfs/dbraw/zinc/09/97/54/1106099754.db2.gz YLVHDMASLVJSEP-CJNGLKHVSA-N 1 0 311.385 3.436 20 5 DGBDRO CCCc1cc(C[NH3+])nn1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254545292 1106100897 /nfs/dbraw/zinc/10/08/97/1106100897.db2.gz CBGQTYZSVADPKB-GFCCVEGCSA-N 1 0 302.378 3.006 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(CO)CC1 ZINC001254553746 1106102330 /nfs/dbraw/zinc/10/23/30/1106102330.db2.gz YISFSOLXPMRKKV-WMLDXEAASA-N 1 0 306.406 3.010 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(n2ccnc2)CC1 ZINC001254559107 1106103404 /nfs/dbraw/zinc/10/34/04/1106103404.db2.gz IITQXZWRWHKBHV-CQSZACIVSA-N 1 0 314.389 3.059 20 5 DGBDRO CCCCC[NH+]1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563629 1106104406 /nfs/dbraw/zinc/10/44/06/1106104406.db2.gz ZTAJUIWUUHFTLK-MRXNPFEDSA-N 1 0 319.449 3.334 20 5 DGBDRO [NH3+]Cc1ccc2c(ccn2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254564818 1106105198 /nfs/dbraw/zinc/10/51/98/1106105198.db2.gz APILCVFFWHQYMY-QGZVFWFLSA-N 1 0 307.353 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCOc3ccccc31)C2 ZINC001254568386 1106106227 /nfs/dbraw/zinc/10/62/27/1106106227.db2.gz UBGHDXOYWHFGSF-WMLDXEAASA-N 1 0 310.353 3.175 20 5 DGBDRO CCc1ccc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254572208 1106106634 /nfs/dbraw/zinc/10/66/34/1106106634.db2.gz JQZMFQSXBGPASK-SFHVURJKSA-N 1 0 310.397 3.457 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573069 1106106753 /nfs/dbraw/zinc/10/67/53/1106106753.db2.gz WHYQYYPNNFAQOY-PXAZEXFGSA-N 1 0 314.360 3.422 20 5 DGBDRO CC(C)[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254576815 1106107528 /nfs/dbraw/zinc/10/75/28/1106107528.db2.gz ZWZQWMVQQJVGGY-CRAIPNDOSA-N 1 0 311.385 3.444 20 5 DGBDRO CC(=O)c1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577697 1106107646 /nfs/dbraw/zinc/10/76/46/1106107646.db2.gz GKUQLIYWBFFACO-QGZVFWFLSA-N 1 0 310.353 3.054 20 5 DGBDRO COC1CCC(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254583566 1106108302 /nfs/dbraw/zinc/10/83/02/1106108302.db2.gz ZPSHXJGMOVNMLB-CRPOECCBSA-N 1 0 318.417 3.247 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(F)cnc1Cl)C2 ZINC001254581935 1106108335 /nfs/dbraw/zinc/10/83/35/1106108335.db2.gz QKQSXHHMIAYUNZ-ZDUSSCGKSA-N 1 0 321.739 3.039 20 5 DGBDRO CC(C)(Cc1ccccn1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586498 1106108900 /nfs/dbraw/zinc/10/89/00/1106108900.db2.gz KMFWFEGJQUGWFO-INIZCTEOSA-N 1 0 311.385 3.068 20 5 DGBDRO COc1cccc(C2([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254587788 1106109124 /nfs/dbraw/zinc/10/91/24/1106109124.db2.gz ZJYPIJXZQOOMIS-MRXNPFEDSA-N 1 0 324.380 3.350 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C2 ZINC001254585248 1106109221 /nfs/dbraw/zinc/10/92/21/1106109221.db2.gz CIOFDRWKAOVARF-FZMZJTMJSA-N 1 0 310.344 3.477 20 5 DGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1=CCOCC1 ZINC001474751363 1107150964 /nfs/dbraw/zinc/15/09/64/1107150964.db2.gz LVVOIJFFICBVBB-UHFFFAOYSA-N 1 0 308.353 3.196 20 5 DGBDRO CCCN(C)Cc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001320963259 1107204642 /nfs/dbraw/zinc/20/46/42/1107204642.db2.gz PYRUKMQVBPFOCQ-UHFFFAOYSA-N 1 0 304.350 3.103 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001321635726 1107399477 /nfs/dbraw/zinc/39/94/77/1107399477.db2.gz GTBUALKMGGUZIT-ZFWWWQNUSA-N 1 0 311.813 3.211 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC001262058087 1107599821 /nfs/dbraw/zinc/59/98/21/1107599821.db2.gz NHMLXXBAKGNYTA-OLZOCXBDSA-N 1 0 312.373 3.182 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001318372658 1107964786 /nfs/dbraw/zinc/96/47/86/1107964786.db2.gz VEWJGBOQUKRFJW-YPMHNXCESA-N 1 0 320.418 3.489 20 5 DGBDRO Cc1cc(NCC[NH+]2CC=CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001324201062 1108206131 /nfs/dbraw/zinc/20/61/31/1108206131.db2.gz BENACDBPLQKCDN-UHFFFAOYSA-N 1 0 315.295 3.206 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1N(C)C ZINC001319762924 1108627299 /nfs/dbraw/zinc/62/72/99/1108627299.db2.gz KCMSBXTUILBGHT-RRQGHBQHSA-N 1 0 305.422 3.427 20 5 DGBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)C[NH+]1CCCC1 ZINC001306936241 1111252596 /nfs/dbraw/zinc/25/25/96/1111252596.db2.gz PLVKAVPRALDXRG-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001307114654 1111267605 /nfs/dbraw/zinc/26/76/05/1111267605.db2.gz KYNBHWNLJMJIND-ZDUSSCGKSA-N 1 0 322.409 3.063 20 5 DGBDRO C[N@@H+]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC001307147538 1111272067 /nfs/dbraw/zinc/27/20/67/1111272067.db2.gz CBYPRKXRUOZMNZ-QAPCUYQASA-N 1 0 311.385 3.352 20 5 DGBDRO C[C@@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001307168683 1111274133 /nfs/dbraw/zinc/27/41/33/1111274133.db2.gz GGHTVPRQQDGJIO-OCAPTIKFSA-N 1 0 304.177 3.088 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001307214798 1111279469 /nfs/dbraw/zinc/27/94/69/1111279469.db2.gz UCXHBPBNYDYDHU-CQSZACIVSA-N 1 0 317.776 3.399 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)c2ccccc2)ccc1Cl ZINC001307632182 1111321676 /nfs/dbraw/zinc/32/16/76/1111321676.db2.gz ZSIGSIHCIAZCJR-HNNXBMFYSA-N 1 0 320.776 3.462 20 5 DGBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001307916454 1111355196 /nfs/dbraw/zinc/35/51/96/1111355196.db2.gz PWKODRPVAJGILD-SCLBCKFNSA-N 1 0 312.369 3.292 20 5 DGBDRO Cc1cccc(C)c1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001308112382 1111379075 /nfs/dbraw/zinc/37/90/75/1111379075.db2.gz FSONJFFRMRKPHI-GOSISDBHSA-N 1 0 314.385 3.377 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001308136781 1111383525 /nfs/dbraw/zinc/38/35/25/1111383525.db2.gz VLOXZIRIUQZFMP-ZDUSSCGKSA-N 1 0 308.378 3.247 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H]1SC ZINC001308447240 1111429935 /nfs/dbraw/zinc/42/99/35/1111429935.db2.gz KOSVYAQZBGOZKB-BMFZPTHFSA-N 1 0 324.446 3.210 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCC[C@H](C)CC2)c1[N+](=O)[O-] ZINC001308690812 1111461164 /nfs/dbraw/zinc/46/11/64/1111461164.db2.gz DTGYYFKRFKKDSM-WCQYABFASA-N 1 0 308.378 3.367 20 5 DGBDRO COc1cccnc1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001308818819 1111479718 /nfs/dbraw/zinc/47/97/18/1111479718.db2.gz JXHBWFUPCWPHIS-UKTHLTGXSA-N 1 0 313.357 3.192 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CC=CC1 ZINC001308933286 1111495822 /nfs/dbraw/zinc/49/58/22/1111495822.db2.gz DGZAWRWDZZQEBG-CYBMUJFWSA-N 1 0 317.389 3.258 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2(O)CCC2)c2ccccc2)c1 ZINC000305813369 231063611 /nfs/dbraw/zinc/06/36/11/231063611.db2.gz IWHVZEKFXYUERS-KRWDZBQOSA-N 1 0 312.369 3.189 20 5 DGBDRO CC[C@@H](C)[C@@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302196625 529404281 /nfs/dbraw/zinc/40/42/81/529404281.db2.gz STGVHLVLNCOCGW-HWPZZCPQSA-N 1 0 303.362 3.270 20 5 DGBDRO C[C@H](CSC(C)(C)C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278706819 214342915 /nfs/dbraw/zinc/34/29/15/214342915.db2.gz ODSHBQHZVXUOKX-SNVBAGLBSA-N 1 0 322.434 3.481 20 5 DGBDRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278706816 214343013 /nfs/dbraw/zinc/34/30/13/214343013.db2.gz ODSHBQHZVXUOKX-JTQLQIEISA-N 1 0 322.434 3.481 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000318199184 231167093 /nfs/dbraw/zinc/16/70/93/231167093.db2.gz VPZCVWRKZPSDRN-GFCCVEGCSA-N 1 0 300.358 3.330 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000316810449 231153001 /nfs/dbraw/zinc/15/30/01/231153001.db2.gz XBYWDZWLBJUEBQ-ZDUSSCGKSA-N 1 0 307.394 3.137 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000319368370 231182879 /nfs/dbraw/zinc/18/28/79/231182879.db2.gz YKJBJCVJCWKCOG-OIISXLGYSA-N 1 0 304.390 3.029 20 5 DGBDRO Cc1nc2ccccn2c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000321567845 231203089 /nfs/dbraw/zinc/20/30/89/231203089.db2.gz GQBYFHVHJHCYDZ-LBPRGKRZSA-N 1 0 310.357 3.402 20 5 DGBDRO CC[C@]1(O)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000428443321 529441969 /nfs/dbraw/zinc/44/19/69/529441969.db2.gz YFJMPSCXDPNRGP-KRWDZBQOSA-N 1 0 316.357 3.202 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCCCCCO)c2cc([N+](=O)[O-])ccc21 ZINC000278969744 214540843 /nfs/dbraw/zinc/54/08/43/214540843.db2.gz BZKRDIHXCNDEJN-INIZCTEOSA-N 1 0 306.406 3.460 20 5 DGBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090085172 185281359 /nfs/dbraw/zinc/28/13/59/185281359.db2.gz CHNRTRDFTXVIFB-CJNGLKHVSA-N 1 0 320.433 3.303 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H]2CO)s1 ZINC000092455772 185319417 /nfs/dbraw/zinc/31/94/17/185319417.db2.gz BPHYPLFSGNMRAP-LBPRGKRZSA-N 1 0 318.398 3.280 20 5 DGBDRO COCCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092537151 185324580 /nfs/dbraw/zinc/32/45/80/185324580.db2.gz LZULWOMMFJASQY-UHFFFAOYSA-N 1 0 304.346 3.323 20 5 DGBDRO CC[C@H](CCO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279119102 214650373 /nfs/dbraw/zinc/65/03/73/214650373.db2.gz PWDMFFYLXTVRNJ-MLGOLLRUSA-N 1 0 306.406 3.315 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000181427826 199295661 /nfs/dbraw/zinc/29/56/61/199295661.db2.gz LSGGKXQQZHEXIV-ZBEGNZNMSA-N 1 0 302.378 3.298 20 5 DGBDRO C[N@H+](CCSc1ncc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000413263666 529929131 /nfs/dbraw/zinc/92/91/31/529929131.db2.gz JBUFBPURZFKYJL-UHFFFAOYSA-N 1 0 321.377 3.353 20 5 DGBDRO C[N@H+](CCc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642905 529936458 /nfs/dbraw/zinc/93/64/58/529936458.db2.gz BBNKSBQALWGPDE-UHFFFAOYSA-N 1 0 316.386 3.207 20 5 DGBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297461566 529939797 /nfs/dbraw/zinc/93/97/97/529939797.db2.gz IBDDQBPAROAYMD-DLBZAZTESA-N 1 0 314.389 3.059 20 5 DGBDRO COC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181686623 199338622 /nfs/dbraw/zinc/33/86/22/199338622.db2.gz SOIXXOPEAKHBOX-QGZVFWFLSA-N 1 0 300.358 3.115 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000413448782 530055020 /nfs/dbraw/zinc/05/50/20/530055020.db2.gz WVOWCWYDRWSXGG-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000104078686 432013490 /nfs/dbraw/zinc/01/34/90/432013490.db2.gz OFMASKDVDMPXJJ-RYUDHWBXSA-N 1 0 316.361 3.408 20 5 DGBDRO Cc1c(NC(=O)CC[NH+]2[C@@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000104078528 432013765 /nfs/dbraw/zinc/01/37/65/432013765.db2.gz RDBMQGDDNVPSHI-STQMWFEESA-N 1 0 319.405 3.495 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC1(C)C ZINC000286852835 219195577 /nfs/dbraw/zinc/19/55/77/219195577.db2.gz AMUIXIRCTYPNTL-SMDDNHRTSA-N 1 0 305.378 3.090 20 5 DGBDRO Cc1ccnc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000272660625 210065135 /nfs/dbraw/zinc/06/51/35/210065135.db2.gz BUWMEZVUVTZISK-KGLIPLIRSA-N 1 0 318.421 3.363 20 5 DGBDRO Cc1noc(C)c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130312588 432020156 /nfs/dbraw/zinc/02/01/56/432020156.db2.gz XZRYGGWHWAXCKE-UHFFFAOYSA-N 1 0 315.373 3.407 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1CC(C)C ZINC000130319339 432021024 /nfs/dbraw/zinc/02/10/24/432021024.db2.gz WTZXZJFHPGXLOT-AWEZNQCLSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1CC(C)C ZINC000130319117 432021636 /nfs/dbraw/zinc/02/16/36/432021636.db2.gz WTZXZJFHPGXLOT-CQSZACIVSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173356286 186179988 /nfs/dbraw/zinc/17/99/88/186179988.db2.gz YQVDXPDPHDHBAR-ZBEGNZNMSA-N 1 0 304.321 3.118 20 5 DGBDRO Cc1nc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cs1 ZINC000225586616 186280708 /nfs/dbraw/zinc/28/07/08/186280708.db2.gz HXZZNSSAODBDSR-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000172647525 198131524 /nfs/dbraw/zinc/13/15/24/198131524.db2.gz QYTNVUWBBHYMRX-ZDUSSCGKSA-N 1 0 323.824 3.166 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1C(C)C ZINC000072664138 191212253 /nfs/dbraw/zinc/21/22/53/191212253.db2.gz RAKGVMXFLDBZBJ-MRXNPFEDSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCO)cc1 ZINC000072712960 191219924 /nfs/dbraw/zinc/21/99/24/191219924.db2.gz PZNAYTOCJVEYCO-UHFFFAOYSA-N 1 0 322.748 3.122 20 5 DGBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072775181 191226764 /nfs/dbraw/zinc/22/67/64/191226764.db2.gz AFPAXHRSSCEARP-WFASDCNBSA-N 1 0 319.405 3.094 20 5 DGBDRO CCCCOCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447518714 282840070 /nfs/dbraw/zinc/84/00/70/282840070.db2.gz WPJWUJURCQQYBO-LSDHHAIUSA-N 1 0 324.425 3.071 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173403235 198210990 /nfs/dbraw/zinc/21/09/90/198210990.db2.gz UDKXYSLRWAIJBA-NWDGAFQWSA-N 1 0 308.378 3.366 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)c2ccco2)c([N+](=O)[O-])c1 ZINC000173583508 198230069 /nfs/dbraw/zinc/23/00/69/198230069.db2.gz PKRKADLHTIGERS-LBPRGKRZSA-N 1 0 320.345 3.268 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCCNc2ccccn2)cc1[N+](=O)[O-] ZINC000163814577 432043728 /nfs/dbraw/zinc/04/37/28/432043728.db2.gz AOMDBPGDSWIUPT-CQSZACIVSA-N 1 0 314.389 3.451 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000067948666 432047527 /nfs/dbraw/zinc/04/75/27/432047527.db2.gz PMPKHXMEFPNTNE-CYBMUJFWSA-N 1 0 318.402 3.300 20 5 DGBDRO C[C@@H]1CSCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179206076 432049966 /nfs/dbraw/zinc/04/99/66/432049966.db2.gz XALXWQJLRZAGGR-LLVKDONJSA-N 1 0 319.386 3.187 20 5 DGBDRO Cc1nccn1CCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000164685214 432050871 /nfs/dbraw/zinc/05/08/71/432050871.db2.gz GGMWYYQPKSYJBK-CYBMUJFWSA-N 1 0 302.378 3.231 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](C)CO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000166469061 432060707 /nfs/dbraw/zinc/06/07/07/432060707.db2.gz VGMYFRQPPPZERL-IAOVAPTHSA-N 1 0 322.405 3.220 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)CO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000166468941 432060519 /nfs/dbraw/zinc/06/05/19/432060519.db2.gz VGMYFRQPPPZERL-XKQJLSEDSA-N 1 0 322.405 3.220 20 5 DGBDRO CN(C)[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000237012089 202122010 /nfs/dbraw/zinc/12/20/10/202122010.db2.gz KIBRWVCGZQBPAR-CQSZACIVSA-N 1 0 323.780 3.234 20 5 DGBDRO Cc1cc(NC[C@H]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000276893115 213159514 /nfs/dbraw/zinc/15/95/14/213159514.db2.gz LOVIOFQJRQBTMX-AAEUAGOBSA-N 1 0 301.346 3.024 20 5 DGBDRO Cc1cc(NC[C@H]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000276893119 213159127 /nfs/dbraw/zinc/15/91/27/213159127.db2.gz LOVIOFQJRQBTMX-WCQYABFASA-N 1 0 301.346 3.024 20 5 DGBDRO CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000276848532 213131428 /nfs/dbraw/zinc/13/14/28/213131428.db2.gz DGDCIEGTMTWXTJ-ZFWWWQNUSA-N 1 0 308.378 3.041 20 5 DGBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+](C2CCC2)C1 ZINC000292357194 223019591 /nfs/dbraw/zinc/01/95/91/223019591.db2.gz QEMPBRWKTVANMC-ZDUSSCGKSA-N 1 0 321.396 3.040 20 5 DGBDRO CCOc1ccc([C@H](C)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000179394546 199027760 /nfs/dbraw/zinc/02/77/60/199027760.db2.gz UVUDPSUSLDAZMK-AWEZNQCLSA-N 1 0 321.421 3.130 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000179396300 199028333 /nfs/dbraw/zinc/02/83/33/199028333.db2.gz DAYSYWDJDWQRRZ-CYBMUJFWSA-N 1 0 316.357 3.466 20 5 DGBDRO Cc1cnc([C@@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000184991983 199792374 /nfs/dbraw/zinc/79/23/74/199792374.db2.gz BURITUGMYOJLKQ-GFCCVEGCSA-N 1 0 321.402 3.479 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@H]1CCCCO1)C1CC1 ZINC000180262362 199138115 /nfs/dbraw/zinc/13/81/15/199138115.db2.gz ZXYUQWIYRGLZKW-SJORKVTESA-N 1 0 318.417 3.465 20 5 DGBDRO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180422710 199157306 /nfs/dbraw/zinc/15/73/06/199157306.db2.gz KPDVQJVDXZTTNL-KBPBESRZSA-N 1 0 321.421 3.138 20 5 DGBDRO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180413074 199155978 /nfs/dbraw/zinc/15/59/78/199155978.db2.gz FSUWHIHNQVFJKH-DZGCQCFKSA-N 1 0 319.405 3.037 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(CNCCC[NH2+]C3CC3)o2)c1 ZINC000415064428 237045868 /nfs/dbraw/zinc/04/58/68/237045868.db2.gz CNHJXVOGOOESDC-UHFFFAOYSA-N 1 0 315.373 3.087 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000187883161 200171130 /nfs/dbraw/zinc/17/11/30/200171130.db2.gz ZYUYFSZWTZBVFS-MBGYTDRXSA-N 1 0 318.417 3.199 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000187883213 200171592 /nfs/dbraw/zinc/17/15/92/200171592.db2.gz ZYUYFSZWTZBVFS-DNMXQMFDSA-N 1 0 318.417 3.199 20 5 DGBDRO C[C@@](O)(C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417318226 237610707 /nfs/dbraw/zinc/61/07/07/237610707.db2.gz YHTRFIAFQMAHNC-IAGOWNOFSA-N 1 0 304.390 3.113 20 5 DGBDRO Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420268197 237693149 /nfs/dbraw/zinc/69/31/49/237693149.db2.gz HFZFNHFKYCRNIG-ZJUUUORDSA-N 1 0 317.311 3.461 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000420277722 237693363 /nfs/dbraw/zinc/69/33/63/237693363.db2.gz ITVVIDPQZHTUHJ-VHSXEESVSA-N 1 0 315.320 3.126 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)OCC)cc1[N+](=O)[O-] ZINC000188689155 200287706 /nfs/dbraw/zinc/28/77/06/200287706.db2.gz SIQJORQHARXTTH-GFCCVEGCSA-N 1 0 310.394 3.459 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)o1 ZINC000188832613 200310224 /nfs/dbraw/zinc/31/02/24/200310224.db2.gz KYZQMVUIYSEETD-STQMWFEESA-N 1 0 316.357 3.105 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429014873 238038594 /nfs/dbraw/zinc/03/85/94/238038594.db2.gz ZNLCVQBYHIQKOP-FSZRXZPDSA-N 1 0 317.433 3.318 20 5 DGBDRO CC[C@@H](CCO)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180608486 432090815 /nfs/dbraw/zinc/09/08/15/432090815.db2.gz JPIDPUORBGYXTH-FUHWJXTLSA-N 1 0 314.385 3.435 20 5 DGBDRO CN(CC1([NH+](C)C)CCC1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432179488 238121646 /nfs/dbraw/zinc/12/16/46/238121646.db2.gz QNRIYECUADGOLR-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449680207 240366937 /nfs/dbraw/zinc/36/69/37/240366937.db2.gz SVDAUFBSEMIKDG-CHWSQXEVSA-N 1 0 302.378 3.093 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000093214434 283634201 /nfs/dbraw/zinc/63/42/01/283634201.db2.gz IBBOSURSWHRKPJ-UWVGGRQHSA-N 1 0 303.284 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCO)s2)cc1 ZINC000193255956 201014545 /nfs/dbraw/zinc/01/45/45/201014545.db2.gz SJMFRLKEDPINLD-UHFFFAOYSA-N 1 0 306.387 3.185 20 5 DGBDRO CC(C)(C)[C@@H](CCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193282302 201018597 /nfs/dbraw/zinc/01/85/97/201018597.db2.gz TZFSAXVEQNDIHS-JKSUJKDBSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCCC1 ZINC000194056954 201171481 /nfs/dbraw/zinc/17/14/81/201171481.db2.gz YZSIFEBXSNICCT-UONOGXRCSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271865963 209278723 /nfs/dbraw/zinc/27/87/23/209278723.db2.gz LNQGCYHCVIOYAE-CZUORRHYSA-N 1 0 306.406 3.351 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCOC3)o2)cc1 ZINC000171050398 432098300 /nfs/dbraw/zinc/09/83/00/432098300.db2.gz FTAAOYNTRZTIKI-ZDUSSCGKSA-N 1 0 316.357 3.371 20 5 DGBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441448124 239051725 /nfs/dbraw/zinc/05/17/25/239051725.db2.gz OKBZJKMWSJHJDA-KBPBESRZSA-N 1 0 322.405 3.493 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443640278 239220877 /nfs/dbraw/zinc/22/08/77/239220877.db2.gz IROBVKULBDRDBT-MCIONIFRSA-N 1 0 319.405 3.290 20 5 DGBDRO Cc1ccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000443680624 239227652 /nfs/dbraw/zinc/22/76/52/239227652.db2.gz JOKFXGWBZODTNI-GFCCVEGCSA-N 1 0 322.409 3.001 20 5 DGBDRO C[C@H](C1CC1)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444584429 239302066 /nfs/dbraw/zinc/30/20/66/239302066.db2.gz TXFVNQHZCWPGJL-SNVBAGLBSA-N 1 0 300.362 3.234 20 5 DGBDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449099922 240016023 /nfs/dbraw/zinc/01/60/23/240016023.db2.gz PGVVDAGYCIHOGL-QWRGUYRKSA-N 1 0 320.311 3.083 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449181826 240054115 /nfs/dbraw/zinc/05/41/15/240054115.db2.gz BJRRGWCZCLLMBU-ZFWWWQNUSA-N 1 0 304.390 3.217 20 5 DGBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449201125 240063933 /nfs/dbraw/zinc/06/39/33/240063933.db2.gz DCMCLDLUXHHBON-XJKSGUPXSA-N 1 0 308.422 3.159 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC1CCCC1 ZINC000449209374 240069430 /nfs/dbraw/zinc/06/94/30/240069430.db2.gz QJPTXCRYYWHPEY-XJKSGUPXSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2ccccc2n1 ZINC000449217760 240073587 /nfs/dbraw/zinc/07/35/87/240073587.db2.gz BOVDWTIYRBJTSQ-AWEZNQCLSA-N 1 0 324.384 3.006 20 5 DGBDRO CCC(CC)(C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000449232334 240081156 /nfs/dbraw/zinc/08/11/56/240081156.db2.gz SXXCSYGORIRRLW-ZDUSSCGKSA-N 1 0 322.405 3.095 20 5 DGBDRO Cc1nnc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449239776 240086300 /nfs/dbraw/zinc/08/63/00/240086300.db2.gz WQNBRXFJUZCZOR-VHSXEESVSA-N 1 0 306.391 3.037 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@@H]1CCCCO1 ZINC000449243344 240087308 /nfs/dbraw/zinc/08/73/08/240087308.db2.gz KEASJFWZSCHODF-ZBFHGGJFSA-N 1 0 306.406 3.465 20 5 DGBDRO COc1ccc(F)cc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449260565 240096209 /nfs/dbraw/zinc/09/62/09/240096209.db2.gz WTRYWSJZANCXCW-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000449343393 240144469 /nfs/dbraw/zinc/14/44/69/240144469.db2.gz KALCTQPUWTWOGY-GUYCJALGSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000449349299 240150017 /nfs/dbraw/zinc/15/00/17/240150017.db2.gz WSXACGOBJZPIQS-GFCCVEGCSA-N 1 0 323.824 3.164 20 5 DGBDRO CO[C@](C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000449485388 240237502 /nfs/dbraw/zinc/23/75/02/240237502.db2.gz QCUAAQILRWIJEI-OAHLLOKOSA-N 1 0 306.387 3.308 20 5 DGBDRO CCn1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449504250 240253270 /nfs/dbraw/zinc/25/32/70/240253270.db2.gz VMRCUMIHVSSERV-INIZCTEOSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449568360 240294502 /nfs/dbraw/zinc/29/45/02/240294502.db2.gz BAQASDBJJYRTPR-UMVBOHGHSA-N 1 0 314.389 3.408 20 5 DGBDRO CC(C)OCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449731656 240385223 /nfs/dbraw/zinc/38/52/23/240385223.db2.gz WIGDLTCDBQYXAB-UHFFFAOYSA-N 1 0 322.405 3.001 20 5 DGBDRO CCCc1ncc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449611986 240317887 /nfs/dbraw/zinc/31/78/87/240317887.db2.gz IYZVSPSRIKGRMN-GFCCVEGCSA-N 1 0 303.362 3.256 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000449738546 240393616 /nfs/dbraw/zinc/39/36/16/240393616.db2.gz CRGRZNXLNZEIRY-ZVZYQTTQSA-N 1 0 318.417 3.057 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451499394 241145589 /nfs/dbraw/zinc/14/55/89/241145589.db2.gz YGRLPLXYCSIDTP-KMUNFCNLSA-N 1 0 322.792 3.295 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451499397 241147270 /nfs/dbraw/zinc/14/72/70/241147270.db2.gz YGRLPLXYCSIDTP-VCTAVGKDSA-N 1 0 322.792 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCCN(CC[NH+]3CCCCC3)C2)cc1 ZINC000451548783 241169259 /nfs/dbraw/zinc/16/92/59/241169259.db2.gz OKUCYSXIVBSCRG-QGZVFWFLSA-N 1 0 317.433 3.260 20 5 DGBDRO CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC000451551556 241170512 /nfs/dbraw/zinc/17/05/12/241170512.db2.gz WKTIDLSDQACJBT-XJKSGUPXSA-N 1 0 322.405 3.239 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451603850 241185877 /nfs/dbraw/zinc/18/58/77/241185877.db2.gz JYIQKYYWUKVCKX-ZBFHGGJFSA-N 1 0 324.808 3.135 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451965646 241285223 /nfs/dbraw/zinc/28/52/23/241285223.db2.gz MYRFKPCSIXMQDJ-MRXNPFEDSA-N 1 0 322.430 3.193 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000216229864 201486749 /nfs/dbraw/zinc/48/67/49/201486749.db2.gz VTZDGXFHGXIOTO-LMOYCYGVSA-N 1 0 319.405 3.336 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000189994440 432110395 /nfs/dbraw/zinc/11/03/95/432110395.db2.gz RALWIVGDYZLAHD-NWDGAFQWSA-N 1 0 323.393 3.159 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000271780254 209207880 /nfs/dbraw/zinc/20/78/80/209207880.db2.gz DNUAOEWSWTVPEW-BPLDGKMQSA-N 1 0 322.792 3.295 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000271778689 209206182 /nfs/dbraw/zinc/20/61/82/209206182.db2.gz DCMIQJSUNMVIGO-GXTWGEPZSA-N 1 0 316.357 3.369 20 5 DGBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135328558 432112870 /nfs/dbraw/zinc/11/28/70/432112870.db2.gz GWMKRKJBBZIFNC-DOMZBBRYSA-N 1 0 319.405 3.094 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000271767627 209196413 /nfs/dbraw/zinc/19/64/13/209196413.db2.gz NJGBGPZQUOOLPA-BMIGLBTASA-N 1 0 322.311 3.257 20 5 DGBDRO CC[C@@H](c1ccncc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000092224613 193176061 /nfs/dbraw/zinc/17/60/61/193176061.db2.gz LDFDCUMMSGHJIT-KRWDZBQOSA-N 1 0 315.373 3.452 20 5 DGBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459606144 243429426 /nfs/dbraw/zinc/42/94/26/243429426.db2.gz FCGXSJAKAXFCDW-BLLLJJGKSA-N 1 0 305.378 3.092 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])CC(C)C ZINC000463055473 243706809 /nfs/dbraw/zinc/70/68/09/243706809.db2.gz JUHOPIBFKAFHFE-CQSZACIVSA-N 1 0 308.426 3.467 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1O ZINC000190059498 432118624 /nfs/dbraw/zinc/11/86/24/432118624.db2.gz IAHXVWCILFKLMX-LRDDRELGSA-N 1 0 316.357 3.058 20 5 DGBDRO COc1cccc2c1CC[C@H]2[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000468002176 244013954 /nfs/dbraw/zinc/01/39/54/244013954.db2.gz WKDLUJDJFFIXCN-MRXNPFEDSA-N 1 0 312.369 3.423 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000468585761 244054918 /nfs/dbraw/zinc/05/49/18/244054918.db2.gz LLCYCABGPQUJDO-DZXKJOIRSA-N 1 0 318.417 3.385 20 5 DGBDRO CCN(CC)C[C@@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468630270 244055891 /nfs/dbraw/zinc/05/58/91/244055891.db2.gz OETXZYOJLLJSDH-YVGNARHYSA-N 1 0 305.422 3.318 20 5 DGBDRO CO[C@@H]1CCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468617861 244057008 /nfs/dbraw/zinc/05/70/08/244057008.db2.gz CFYOWGVVRAVARM-DZKOEADISA-N 1 0 304.390 3.403 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000469164482 244087768 /nfs/dbraw/zinc/08/77/68/244087768.db2.gz ZXPMCKHPMDHGEE-SKYCBFMCSA-N 1 0 304.390 3.401 20 5 DGBDRO CCC1(O)CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470180275 244157498 /nfs/dbraw/zinc/15/74/98/244157498.db2.gz LFRCIMWACBUTAV-KAMYIIQDSA-N 1 0 304.390 3.235 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000119052443 284133173 /nfs/dbraw/zinc/13/31/73/284133173.db2.gz LHXAJUZLFKWMFZ-CABCVRRESA-N 1 0 305.422 3.366 20 5 DGBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119196571 284137361 /nfs/dbraw/zinc/13/73/61/284137361.db2.gz VNWYDOXOCMOYIA-GJZGRUSLSA-N 1 0 312.797 3.374 20 5 DGBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000473820147 244350287 /nfs/dbraw/zinc/35/02/87/244350287.db2.gz BPIFLZZMRMEAJW-QWHCGFSZSA-N 1 0 322.405 3.396 20 5 DGBDRO C[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000121584949 284201558 /nfs/dbraw/zinc/20/15/58/284201558.db2.gz HELRPGQNRJUDJQ-GJZGRUSLSA-N 1 0 305.422 3.367 20 5 DGBDRO CCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000487305376 245048083 /nfs/dbraw/zinc/04/80/83/245048083.db2.gz FFQCQXQULFBOLZ-UHFFFAOYSA-N 1 0 318.348 3.465 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2C)c1 ZINC000264793281 204161434 /nfs/dbraw/zinc/16/14/34/204161434.db2.gz BATCTHWOOJIGHY-UHFFFAOYSA-N 1 0 314.389 3.362 20 5 DGBDRO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000288225977 220029499 /nfs/dbraw/zinc/02/94/99/220029499.db2.gz NEAFHKUQKXKFAX-YPMHNXCESA-N 1 0 318.402 3.126 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282545031 217078874 /nfs/dbraw/zinc/07/88/74/217078874.db2.gz RSMLIPUJMPZQHM-ZBFHGGJFSA-N 1 0 310.369 3.417 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000282560630 217090724 /nfs/dbraw/zinc/09/07/24/217090724.db2.gz DRSNATIBXPAOJF-MRXNPFEDSA-N 1 0 320.389 3.042 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCC2 ZINC000266157170 205145824 /nfs/dbraw/zinc/14/58/24/205145824.db2.gz MMJFGMAMDUOYPY-HOTGVXAUSA-N 1 0 320.389 3.041 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000267392622 206034160 /nfs/dbraw/zinc/03/41/60/206034160.db2.gz DFCWAPOCDDGTEJ-VHSXEESVSA-N 1 0 306.284 3.213 20 5 DGBDRO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000267474161 206093716 /nfs/dbraw/zinc/09/37/16/206093716.db2.gz YVUSCEHYYQBUPM-ZDUSSCGKSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1noc(C2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000267791357 206283847 /nfs/dbraw/zinc/28/38/47/206283847.db2.gz GGDBMUARXVUBON-UHFFFAOYSA-N 1 0 316.361 3.102 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246543968 432142403 /nfs/dbraw/zinc/14/24/03/432142403.db2.gz DCQLHJHJGMOKDA-ZFWWWQNUSA-N 1 0 322.405 3.117 20 5 DGBDRO C[NH+](C)Cc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000045030520 183476693 /nfs/dbraw/zinc/47/66/93/183476693.db2.gz LCJDGRIUNIDZDC-UHFFFAOYSA-N 1 0 314.345 3.300 20 5 DGBDRO Cc1c(C[NH+]2CCC3(CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000284780562 218175172 /nfs/dbraw/zinc/17/51/72/218175172.db2.gz NVULIFUYBNPHAQ-UHFFFAOYSA-N 1 0 304.390 3.296 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nccs1 ZINC000284872349 218216436 /nfs/dbraw/zinc/21/64/36/218216436.db2.gz AYMQCYGRMIHGAW-ZJUUUORDSA-N 1 0 306.391 3.088 20 5 DGBDRO CCOC1CC(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000284920595 218235395 /nfs/dbraw/zinc/23/53/95/218235395.db2.gz DCOJCMMBQMDYAR-DCBWTQNWSA-N 1 0 307.394 3.033 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284924345 218237411 /nfs/dbraw/zinc/23/74/11/218237411.db2.gz GPJSJSHQFOUPGI-QITRJSSMSA-N 1 0 302.374 3.251 20 5 DGBDRO CC[C@@H]([NH2+]CCCn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000268850120 207017495 /nfs/dbraw/zinc/01/74/95/207017495.db2.gz KDWMLGMPNRMLFQ-MRXNPFEDSA-N 1 0 302.378 3.231 20 5 DGBDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268865297 207033109 /nfs/dbraw/zinc/03/31/09/207033109.db2.gz HBPYVXWONJUDTM-SUMWQHHRSA-N 1 0 300.358 3.153 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(CO)c2)cccc1[N+](=O)[O-] ZINC000268866222 207036186 /nfs/dbraw/zinc/03/61/86/207036186.db2.gz JAOQJSSUHZDBQQ-CYBMUJFWSA-N 1 0 300.358 3.246 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268890111 207060272 /nfs/dbraw/zinc/06/02/72/207060272.db2.gz CRKQDONYGPDEKC-WMLDXEAASA-N 1 0 320.433 3.304 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000269003516 207158456 /nfs/dbraw/zinc/15/84/56/207158456.db2.gz PXLMMPJVKYKLIJ-WFASDCNBSA-N 1 0 323.824 3.164 20 5 DGBDRO CC[NH+](CC)CCCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000058582559 184123445 /nfs/dbraw/zinc/12/34/45/184123445.db2.gz RFWCLJBGMCVPRU-UHFFFAOYSA-N 1 0 308.407 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000061013936 184159513 /nfs/dbraw/zinc/15/95/13/184159513.db2.gz HZKJFLFQCLSQKF-MRXNPFEDSA-N 1 0 315.373 3.115 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1Cl ZINC000269053628 207203266 /nfs/dbraw/zinc/20/32/66/207203266.db2.gz UVEKZJMFIJUQLD-LBPRGKRZSA-N 1 0 320.780 3.351 20 5 DGBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246940462 284931249 /nfs/dbraw/zinc/93/12/49/284931249.db2.gz GVTASPMOUOPZFU-YRNSVEHJSA-N 1 0 324.446 3.325 20 5 DGBDRO C[NH2+][C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435369666 532969589 /nfs/dbraw/zinc/96/95/89/532969589.db2.gz GBJAHGAWNMLIIZ-CYBMUJFWSA-N 1 0 317.414 3.117 20 5 DGBDRO CC(C)(C)OC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119082687 194970199 /nfs/dbraw/zinc/97/01/99/194970199.db2.gz SJGJADJPJJISOU-UHFFFAOYSA-N 1 0 306.406 3.417 20 5 DGBDRO CCN1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000249032890 285047323 /nfs/dbraw/zinc/04/73/23/285047323.db2.gz RROXYADSZKFNDO-WBVHZDCISA-N 1 0 303.406 3.046 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CO ZINC000249088250 285053513 /nfs/dbraw/zinc/05/35/13/285053513.db2.gz MWJZQEXLMWECNH-LRDDRELGSA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000249298740 285067999 /nfs/dbraw/zinc/06/79/99/285067999.db2.gz CJVWTLOVJVNMDB-RDBSUJKOSA-N 1 0 319.405 3.338 20 5 DGBDRO COC1([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000421833846 533028960 /nfs/dbraw/zinc/02/89/60/533028960.db2.gz JPZRANBKWACRSH-AWEZNQCLSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000336969558 253028771 /nfs/dbraw/zinc/02/87/71/253028771.db2.gz BOLCZFSGWVTTMD-DZGCQCFKSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000336984224 253030831 /nfs/dbraw/zinc/03/08/31/253030831.db2.gz HFRMKRFJEXQCJS-DRZSPHRISA-N 1 0 305.378 3.008 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@H]2OC(F)F)c(F)c1 ZINC000337294806 253080804 /nfs/dbraw/zinc/08/08/04/253080804.db2.gz PNUCFNFGCIRBJM-QWHCGFSZSA-N 1 0 318.295 3.374 20 5 DGBDRO C[C@@H](C1CC1)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000337321754 253087282 /nfs/dbraw/zinc/08/72/82/253087282.db2.gz CNXNCGFXIZQJPF-LBPRGKRZSA-N 1 0 317.389 3.186 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337256271 253071024 /nfs/dbraw/zinc/07/10/24/253071024.db2.gz SFXVDVBCUTZPCG-ZIAGYGMSSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@H]1CCC[C@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337256268 253071216 /nfs/dbraw/zinc/07/12/16/253071216.db2.gz SFXVDVBCUTZPCG-KBPBESRZSA-N 1 0 319.405 3.434 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337388504 253103925 /nfs/dbraw/zinc/10/39/25/253103925.db2.gz GOHFOTVSRUEFPK-AAEUAGOBSA-N 1 0 300.305 3.235 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1O ZINC000249884503 285090424 /nfs/dbraw/zinc/09/04/24/285090424.db2.gz IAHXVWCILFKLMX-BLLLJJGKSA-N 1 0 316.357 3.058 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000301349973 285095774 /nfs/dbraw/zinc/09/57/74/285095774.db2.gz JMCSUVMHVVVTSG-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO O=[N+]([O-])c1ccc(CCN2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000069033094 285110526 /nfs/dbraw/zinc/11/05/26/285110526.db2.gz OOWANPADIINILI-SFHVURJKSA-N 1 0 317.433 3.088 20 5 DGBDRO COCC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000338349171 253271188 /nfs/dbraw/zinc/27/11/88/253271188.db2.gz DLFYZAPEXVFKJZ-AWEZNQCLSA-N 1 0 320.393 3.012 20 5 DGBDRO CC(C)[C@@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000338962454 253380115 /nfs/dbraw/zinc/38/01/15/253380115.db2.gz IFFHFVXXNRPCJB-OAHLLOKOSA-N 1 0 306.410 3.302 20 5 DGBDRO CC(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000339000409 253386706 /nfs/dbraw/zinc/38/67/06/253386706.db2.gz KYAIHMJIXZXPDF-QWHCGFSZSA-N 1 0 319.405 3.472 20 5 DGBDRO Cc1cccn2cc(C[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])nc12 ZINC000255116244 285130985 /nfs/dbraw/zinc/13/09/85/285130985.db2.gz GRHYYRBBRFPECH-YWEYNIOJSA-N 1 0 322.368 3.354 20 5 DGBDRO C[C@H]([NH2+]CCOCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294633207 224131740 /nfs/dbraw/zinc/13/17/40/224131740.db2.gz FYMNADVMQPOQJL-ZDUSSCGKSA-N 1 0 315.373 3.044 20 5 DGBDRO CCC[NH+](CCC)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000341851419 253883774 /nfs/dbraw/zinc/88/37/74/253883774.db2.gz LMYYOFBHZNJIDM-UHFFFAOYSA-N 1 0 322.409 3.228 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000157634112 197204096 /nfs/dbraw/zinc/20/40/96/197204096.db2.gz KXKGIDZDCBUNPZ-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO CC(C)[C@@H]1CC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000342862369 254067269 /nfs/dbraw/zinc/06/72/69/254067269.db2.gz SIRSUCABPOOONE-INIZCTEOSA-N 1 0 314.389 3.226 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000344109577 254226913 /nfs/dbraw/zinc/22/69/13/254226913.db2.gz SSCZXPQFCAUOSK-HZPDHXFCSA-N 1 0 304.390 3.075 20 5 DGBDRO CC[C@]1(C)CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000344278535 254249758 /nfs/dbraw/zinc/24/97/58/254249758.db2.gz VDMQTGZWVXNNGH-MRXNPFEDSA-N 1 0 316.361 3.267 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nc(C)oc1C ZINC000344754434 254302588 /nfs/dbraw/zinc/30/25/88/254302588.db2.gz AWZMITARYAMKMA-XFXZXTDPSA-N 1 0 315.373 3.435 20 5 DGBDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000155212060 197033051 /nfs/dbraw/zinc/03/30/51/197033051.db2.gz VIIYPVONFZBUGF-JQRITLKVSA-N 1 0 319.405 3.001 20 5 DGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289845383 285244060 /nfs/dbraw/zinc/24/40/60/285244060.db2.gz PPXWBHDPNAQGDC-FJVHFBRSSA-N 1 0 315.417 3.167 20 5 DGBDRO Cc1ccc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000120493296 195177311 /nfs/dbraw/zinc/17/73/11/195177311.db2.gz MRLPDIJQGFZFNB-AVGNSLFASA-N 1 0 305.378 3.103 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCCOC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000120600428 195198941 /nfs/dbraw/zinc/19/89/41/195198941.db2.gz RZSXEUHUWGHJSM-GOEBONIOSA-N 1 0 322.405 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000301348039 285272913 /nfs/dbraw/zinc/27/29/13/285272913.db2.gz IRTCEYQQHFDWKZ-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO C[NH+]1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000120747480 195229652 /nfs/dbraw/zinc/22/96/52/195229652.db2.gz NEESNBQASHNTID-UHFFFAOYSA-N 1 0 304.177 3.408 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)c2ccccc2)c(Cl)c1 ZINC000289497970 221020699 /nfs/dbraw/zinc/02/06/99/221020699.db2.gz SMCFUQIXEGGRDU-INIZCTEOSA-N 1 0 320.776 3.462 20 5 DGBDRO Cc1cc(NC[C@H](C)CCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000294854115 224266895 /nfs/dbraw/zinc/26/68/95/224266895.db2.gz BKVYRAZOFCXIMR-LLVKDONJSA-N 1 0 303.362 3.272 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)OCCc2sccc21 ZINC000289869194 221282489 /nfs/dbraw/zinc/28/24/89/221282489.db2.gz QZRSQCCREKBWRP-INIZCTEOSA-N 1 0 318.398 3.234 20 5 DGBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[C@H]1O ZINC000289978734 221356910 /nfs/dbraw/zinc/35/69/10/221356910.db2.gz ZRWJQPPKIXUWTB-HZPDHXFCSA-N 1 0 316.357 3.200 20 5 DGBDRO Cc1cnccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000121094933 195292793 /nfs/dbraw/zinc/29/27/93/195292793.db2.gz DAVZZFKEGUINIE-NSHDSACASA-N 1 0 300.318 3.181 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000470174523 533380272 /nfs/dbraw/zinc/38/02/72/533380272.db2.gz LROMUWLEKAWCLM-QXSWTLKVSA-N 1 0 304.390 3.499 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000470170261 533382447 /nfs/dbraw/zinc/38/24/47/533382447.db2.gz RGUZKBPMXXRDOI-OOXMNIKJSA-N 1 0 303.406 3.024 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000449620127 533383069 /nfs/dbraw/zinc/38/30/69/533383069.db2.gz SNGWTGYEWSWITJ-DZXKJOIRSA-N 1 0 318.417 3.481 20 5 DGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C2CC2)c1 ZINC000295579343 533406522 /nfs/dbraw/zinc/40/65/22/533406522.db2.gz ZIHAVDFCGNTWQK-GFCCVEGCSA-N 1 0 300.362 3.020 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000470169322 533406841 /nfs/dbraw/zinc/40/68/41/533406841.db2.gz DJSOERQJUWSVHR-IDJPSDCMSA-N 1 0 304.390 3.357 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCOCC1CC1 ZINC000470181274 533407618 /nfs/dbraw/zinc/40/76/18/533407618.db2.gz AOKXMPRUVNNZIW-GXDHUFHOSA-N 1 0 304.390 3.357 20 5 DGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302042839 533556835 /nfs/dbraw/zinc/55/68/35/533556835.db2.gz IYSFOTBKYONBNM-CHWSQXEVSA-N 1 0 304.394 3.055 20 5 DGBDRO C[C@@H](CCCO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000296626002 533561076 /nfs/dbraw/zinc/56/10/76/533561076.db2.gz XEAGAKBWLXSLOI-LRDDRELGSA-N 1 0 306.406 3.315 20 5 DGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000413244930 533565800 /nfs/dbraw/zinc/56/58/00/533565800.db2.gz NQNHMYDMROGJNZ-NEPJUHHUSA-N 1 0 322.384 3.194 20 5 DGBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000272229671 130010850 /nfs/dbraw/zinc/01/08/50/130010850.db2.gz JPKHTZJPSXBVNF-UKRRQHHQSA-N 1 0 319.408 3.197 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000356846302 285520268 /nfs/dbraw/zinc/52/02/68/285520268.db2.gz YKCUGWUNTWGUDL-HNNXBMFYSA-N 1 0 318.352 3.098 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)C2CC2)s1 ZINC000357763225 285859134 /nfs/dbraw/zinc/85/91/34/285859134.db2.gz NZFQXJZFXCIBRP-HNNXBMFYSA-N 1 0 318.398 3.184 20 5 DGBDRO Cc1[nH+]ccc(N2CCOc3ccc([N+](=O)[O-])cc3C2)c1Cl ZINC000357790496 285870475 /nfs/dbraw/zinc/87/04/75/285870475.db2.gz XPUZOBWJJCGYHU-UHFFFAOYSA-N 1 0 319.748 3.351 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595052663 400090176 /nfs/dbraw/zinc/09/01/76/400090176.db2.gz ZTXQHIBEPQZVTE-HIFRSBDPSA-N 1 0 321.421 3.128 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOCC1CCCC1 ZINC000595054166 400091625 /nfs/dbraw/zinc/09/16/25/400091625.db2.gz YMTSOVYCPYSZPH-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC000595065796 400096058 /nfs/dbraw/zinc/09/60/58/400096058.db2.gz VHNXCHFOCZHGIE-LEAZRHJPSA-N 1 0 324.446 3.244 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CCSCCOc1ccc([N+](=O)[O-])cc1 ZINC000600572234 400096635 /nfs/dbraw/zinc/09/66/35/400096635.db2.gz XJVHFAHVEOHAHR-CYBMUJFWSA-N 1 0 310.419 3.191 20 5 DGBDRO CCSC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595091306 400103034 /nfs/dbraw/zinc/10/30/34/400103034.db2.gz GVOFYMXWCDWODG-STQMWFEESA-N 1 0 324.450 3.150 20 5 DGBDRO CCCN1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097567 400104825 /nfs/dbraw/zinc/10/48/25/400104825.db2.gz XQISLHZLSKMYAQ-PBHICJAKSA-N 1 0 303.406 3.046 20 5 DGBDRO CC1(C)OCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595107686 400108135 /nfs/dbraw/zinc/10/81/35/400108135.db2.gz PUMPVSHJYAUGRK-XJKSGUPXSA-N 1 0 304.390 3.377 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000595027156 400081454 /nfs/dbraw/zinc/08/14/54/400081454.db2.gz PMBHGKPHBMGGTR-WBMJQRKESA-N 1 0 322.405 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000595029135 400081905 /nfs/dbraw/zinc/08/19/05/400081905.db2.gz HORVDABWECIPCA-VHSXEESVSA-N 1 0 300.305 3.442 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000595031965 400082960 /nfs/dbraw/zinc/08/29/60/400082960.db2.gz KEDIONUTCHZSDM-DETPVDSQSA-N 1 0 320.389 3.212 20 5 DGBDRO CCC(CC)(CO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595035425 400084078 /nfs/dbraw/zinc/08/40/78/400084078.db2.gz JDUIMBNBGQUNML-GFCCVEGCSA-N 1 0 310.394 3.053 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000595033705 400084295 /nfs/dbraw/zinc/08/42/95/400084295.db2.gz SEGHUPSMVJJFSP-LBPRGKRZSA-N 1 0 312.369 3.421 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C ZINC000595035160 400084314 /nfs/dbraw/zinc/08/43/14/400084314.db2.gz HBGGVLXHFDODOW-WBMJQRKESA-N 1 0 324.421 3.297 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506969 400172065 /nfs/dbraw/zinc/17/20/65/400172065.db2.gz JIMDOWBTNZOGTE-PBHICJAKSA-N 1 0 303.406 3.074 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H]3CO)s2)cc1 ZINC000092455636 400173639 /nfs/dbraw/zinc/17/36/39/400173639.db2.gz VTQNNCGHXAAARP-AWEZNQCLSA-N 1 0 318.398 3.280 20 5 DGBDRO Cc1noc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c1[N+](=O)[O-] ZINC000595516066 400175052 /nfs/dbraw/zinc/17/50/52/400175052.db2.gz DWBIJYDCMYLOHH-UWVGGRQHSA-N 1 0 321.299 3.492 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000595521549 400176825 /nfs/dbraw/zinc/17/68/25/400176825.db2.gz DUYFIAAKMFJZDK-HNNXBMFYSA-N 1 0 310.394 3.453 20 5 DGBDRO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000595525329 400177653 /nfs/dbraw/zinc/17/76/53/400177653.db2.gz RDAJKCOALTWWBT-FRFSOERESA-N 1 0 304.390 3.342 20 5 DGBDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000609599132 400180480 /nfs/dbraw/zinc/18/04/80/400180480.db2.gz WXGPEIURBDAEND-OAHLLOKOSA-N 1 0 314.341 3.217 20 5 DGBDRO CN1CCN(c2ccsc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000588053418 400184238 /nfs/dbraw/zinc/18/42/38/400184238.db2.gz PQRKNLSNXXOSQZ-AWEZNQCLSA-N 1 0 317.414 3.019 20 5 DGBDRO Cc1noc(C[N@@H+]2CC[C@@H](c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000595302932 400123479 /nfs/dbraw/zinc/12/34/79/400123479.db2.gz XLXMOMYUHZICGV-CYBMUJFWSA-N 1 0 301.346 3.189 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595323392 400127384 /nfs/dbraw/zinc/12/73/84/400127384.db2.gz NDAPWLMCGAKROR-QGZVFWFLSA-N 1 0 315.373 3.445 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000585767827 400139981 /nfs/dbraw/zinc/13/99/81/400139981.db2.gz GPJSJSHQFOUPGI-QGZWLABGSA-N 1 0 302.374 3.251 20 5 DGBDRO Cc1noc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)c1[N+](=O)[O-] ZINC000595422508 400143826 /nfs/dbraw/zinc/14/38/26/400143826.db2.gz HTTOBAYNVLVQIT-AWEZNQCLSA-N 1 0 321.352 3.387 20 5 DGBDRO Cc1cccn2cc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])nc12 ZINC000586773202 400152837 /nfs/dbraw/zinc/15/28/37/400152837.db2.gz IISSYEOYVDBMQB-UHFFFAOYSA-N 1 0 324.384 3.225 20 5 DGBDRO O=C(CC[NH+]1CCC2(CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000586783206 400154166 /nfs/dbraw/zinc/15/41/66/400154166.db2.gz FQCKWCYYEGHLLZ-UHFFFAOYSA-N 1 0 317.389 3.190 20 5 DGBDRO CC(C)OC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609333914 400160693 /nfs/dbraw/zinc/16/06/93/400160693.db2.gz QQSZWOZECDDTLO-UHFFFAOYSA-N 1 0 322.405 3.253 20 5 DGBDRO CO[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595485724 400165458 /nfs/dbraw/zinc/16/54/58/400165458.db2.gz WXKIHBIVTZFOFC-QGZVFWFLSA-N 1 0 306.406 3.274 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C)CC1 ZINC000015378737 400166202 /nfs/dbraw/zinc/16/62/02/400166202.db2.gz FAQNYYLHNHKOQD-LBPRGKRZSA-N 1 0 316.361 3.438 20 5 DGBDRO Cc1noc(C[NH2+][C@H](C)C2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000595561733 400188246 /nfs/dbraw/zinc/18/82/46/400188246.db2.gz LTVUMMBVWYZYMX-MRVPVSSYSA-N 1 0 303.309 3.195 20 5 DGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000067948941 400219122 /nfs/dbraw/zinc/21/91/22/400219122.db2.gz WRWWUMICJDOZEO-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000610278722 400233657 /nfs/dbraw/zinc/23/36/57/400233657.db2.gz RHEXAKFCLHDIBK-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000610420541 400256141 /nfs/dbraw/zinc/25/61/41/400256141.db2.gz OYKDFGWXQALVPO-GLJUWKHASA-N 1 0 314.385 3.410 20 5 DGBDRO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000025407640 400235708 /nfs/dbraw/zinc/23/57/08/400235708.db2.gz SRTHXHUYMUMUBU-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO CCCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610367641 400250869 /nfs/dbraw/zinc/25/08/69/400250869.db2.gz LRVBELZIKDDCNR-ZDUSSCGKSA-N 1 0 319.405 3.037 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601155837 400251018 /nfs/dbraw/zinc/25/10/18/400251018.db2.gz MXXCWUYOZIJZRV-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000595563827 400189591 /nfs/dbraw/zinc/18/95/91/400189591.db2.gz ULDJDTRIAYGANQ-UKRRQHHQSA-N 1 0 308.353 3.125 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000595567013 400190616 /nfs/dbraw/zinc/19/06/16/400190616.db2.gz QXBYASCGLXQWTB-WWGRRREGSA-N 1 0 317.389 3.105 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C[N@@H+]1C1CC1 ZINC000092672337 400192649 /nfs/dbraw/zinc/19/26/49/400192649.db2.gz UUWOJZJFADDQJB-NEPJUHHUSA-N 1 0 312.373 3.180 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000595600155 400198597 /nfs/dbraw/zinc/19/85/97/400198597.db2.gz MUDYWCJCCYQFEW-GFCCVEGCSA-N 1 0 307.394 3.352 20 5 DGBDRO CC(C)(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccsc1 ZINC000595599980 400198737 /nfs/dbraw/zinc/19/87/37/400198737.db2.gz DYDWNGMEXALLBR-UHFFFAOYSA-N 1 0 308.407 3.154 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595599424 400199157 /nfs/dbraw/zinc/19/91/57/400199157.db2.gz LJTOHKSSVCTASN-GFCCVEGCSA-N 1 0 323.393 3.052 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000610390320 400254006 /nfs/dbraw/zinc/25/40/06/400254006.db2.gz WABZKSULLQDHDQ-CYBMUJFWSA-N 1 0 312.369 3.462 20 5 DGBDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595638089 400213888 /nfs/dbraw/zinc/21/38/88/400213888.db2.gz BXFMOOGTRBDKRT-GFCCVEGCSA-N 1 0 307.394 3.256 20 5 DGBDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000595639827 400215365 /nfs/dbraw/zinc/21/53/65/400215365.db2.gz XECODZXDUGLAHG-GFCCVEGCSA-N 1 0 307.394 3.256 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCC2=O)CC1 ZINC000595804740 400264365 /nfs/dbraw/zinc/26/43/65/400264365.db2.gz CTTSOMDFJOMAOV-ZDUSSCGKSA-N 1 0 302.374 3.491 20 5 DGBDRO CCCC[N@H+](CC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000027272425 400268654 /nfs/dbraw/zinc/26/86/54/400268654.db2.gz MBGCONOIKNQEBV-UHFFFAOYSA-N 1 0 313.785 3.309 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+]C2(CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000595830990 400274605 /nfs/dbraw/zinc/27/46/05/400274605.db2.gz JDEPIBUSVUPGHO-ZDUSSCGKSA-N 1 0 319.405 3.399 20 5 DGBDRO CC(C)([NH2+]Cc1[nH]nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000610575182 400275939 /nfs/dbraw/zinc/27/59/39/400275939.db2.gz LDUXBRKVBFDJJV-UHFFFAOYSA-N 1 0 310.357 3.496 20 5 DGBDRO CCOc1cc(C[N@H+](C)CC2=CCSC2)ccc1[N+](=O)[O-] ZINC000595889685 400287637 /nfs/dbraw/zinc/28/76/37/400287637.db2.gz VKMQSJUAGSCMPH-UHFFFAOYSA-N 1 0 308.403 3.099 20 5 DGBDRO Cc1cc(C)n(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000068813520 400291619 /nfs/dbraw/zinc/29/16/19/400291619.db2.gz DUCXQAOJVARKPZ-UHFFFAOYSA-N 1 0 316.405 3.319 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CC1(C)C ZINC000595909056 400292354 /nfs/dbraw/zinc/29/23/54/400292354.db2.gz LPBVHCRNEKURKN-ZDUSSCGKSA-N 1 0 319.405 3.210 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC2CC1(C)C2 ZINC000595914563 400293684 /nfs/dbraw/zinc/29/36/84/400293684.db2.gz CFZPFJFGCDDETC-VHTNMKBUSA-N 1 0 314.345 3.190 20 5 DGBDRO C[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404326621 400295037 /nfs/dbraw/zinc/29/50/37/400295037.db2.gz VTVXEESUILBUNL-RISCZKNCSA-N 1 0 311.813 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000069033141 400305926 /nfs/dbraw/zinc/30/59/26/400305926.db2.gz BVCFRQUKEJECIK-QGZVFWFLSA-N 1 0 303.406 3.045 20 5 DGBDRO CC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069064178 400308793 /nfs/dbraw/zinc/30/87/93/400308793.db2.gz QTLCDXRXGJIRJM-AWEZNQCLSA-N 1 0 319.405 3.330 20 5 DGBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000610831078 400311792 /nfs/dbraw/zinc/31/17/92/400311792.db2.gz UHZKCNXOXLMNIL-CQSZACIVSA-N 1 0 319.405 3.482 20 5 DGBDRO O=[N+]([O-])c1ccccc1NCC1([NH+]2CCSCC2)CCCC1 ZINC000029620731 400312259 /nfs/dbraw/zinc/31/22/59/400312259.db2.gz UUBJSGVIYLFSCC-UHFFFAOYSA-N 1 0 321.446 3.368 20 5 DGBDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000610831077 400312413 /nfs/dbraw/zinc/31/24/13/400312413.db2.gz UHZKCNXOXLMNIL-AWEZNQCLSA-N 1 0 319.405 3.482 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595784532 400258256 /nfs/dbraw/zinc/25/82/56/400258256.db2.gz AZUAFKRUOUCTOT-NVXWUHKLSA-N 1 0 304.390 3.376 20 5 DGBDRO CC(C)[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000589105531 400260098 /nfs/dbraw/zinc/26/00/98/400260098.db2.gz NTPWRBBHJCFAFV-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO C[NH+](C)[C@H](CNc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000610468893 400260987 /nfs/dbraw/zinc/26/09/87/400260987.db2.gz RKRNFVVJTXEUAN-CQSZACIVSA-N 1 0 320.780 3.358 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000611370370 400385406 /nfs/dbraw/zinc/38/54/06/400385406.db2.gz JCUIGWAICHUMMH-UPJWGTAASA-N 1 0 309.435 3.498 20 5 DGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C ZINC000611084502 400344077 /nfs/dbraw/zinc/34/40/77/400344077.db2.gz BVQQZOIGQMJCSZ-JTQLQIEISA-N 1 0 317.311 3.144 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000611248556 400364014 /nfs/dbraw/zinc/36/40/14/400364014.db2.gz SRFAYHJQDSRNJP-RDBSUJKOSA-N 1 0 322.405 3.459 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cccc(O)c2Cl)c1 ZINC000590187224 400368318 /nfs/dbraw/zinc/36/83/18/400368318.db2.gz MFRFAJIKBDXRCA-UHFFFAOYSA-N 1 0 306.749 3.286 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000611268078 400369878 /nfs/dbraw/zinc/36/98/78/400369878.db2.gz FTDLCLLBQHVGJB-QQNRWZHASA-N 1 0 312.373 3.142 20 5 DGBDRO COc1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC000596305901 400375027 /nfs/dbraw/zinc/37/50/27/400375027.db2.gz COEVRHNBGYRCMS-JTQLQIEISA-N 1 0 311.357 3.027 20 5 DGBDRO Cc1n[nH]cc1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000611520904 400415079 /nfs/dbraw/zinc/41/50/79/400415079.db2.gz CHSYDRVJRHYBCZ-LBPRGKRZSA-N 1 0 302.378 3.300 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000611411769 400396344 /nfs/dbraw/zinc/39/63/44/400396344.db2.gz MRMXGKQXXLSBBT-FRRDWIJNSA-N 1 0 309.435 3.498 20 5 DGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072697557 400398472 /nfs/dbraw/zinc/39/84/72/400398472.db2.gz OEOUOTHYDWMEEK-YPMHNXCESA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1n[nH]cc1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000611520903 400415511 /nfs/dbraw/zinc/41/55/11/400415511.db2.gz CHSYDRVJRHYBCZ-GFCCVEGCSA-N 1 0 302.378 3.300 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000611470140 400407234 /nfs/dbraw/zinc/40/72/34/400407234.db2.gz DSADFTGUKMFPPO-KCQAQPDRSA-N 1 0 306.406 3.055 20 5 DGBDRO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611560189 400421483 /nfs/dbraw/zinc/42/14/83/400421483.db2.gz FSUYNRWNUYFXCO-LRDDRELGSA-N 1 0 314.389 3.053 20 5 DGBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000042045388 400419656 /nfs/dbraw/zinc/41/96/56/400419656.db2.gz YOKQZQLNHWPAIQ-UHFFFAOYSA-N 1 0 316.361 3.017 20 5 DGBDRO CCO[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000590756968 400429531 /nfs/dbraw/zinc/42/95/31/400429531.db2.gz VDXOZKGRJABSTD-PBHICJAKSA-N 1 0 322.405 3.111 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000602341375 400443485 /nfs/dbraw/zinc/44/34/85/400443485.db2.gz HWPYQFPEXSNTBK-UHFFFAOYSA-N 1 0 319.405 3.216 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000602571460 400499941 /nfs/dbraw/zinc/49/99/41/400499941.db2.gz MTXRWXABUVSPLS-UHFFFAOYSA-N 1 0 303.387 3.261 20 5 DGBDRO Cc1noc(C)c1[C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602571348 400500471 /nfs/dbraw/zinc/50/04/71/400500471.db2.gz KMJYAZVNRBEDLR-LLVKDONJSA-N 1 0 303.362 3.135 20 5 DGBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000602575035 400501766 /nfs/dbraw/zinc/50/17/66/400501766.db2.gz FLKXKMXMSNXHQN-CABZTGNLSA-N 1 0 318.295 3.271 20 5 DGBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000612194036 400506319 /nfs/dbraw/zinc/50/63/19/400506319.db2.gz NXWRHONMAIYUJH-MRXNPFEDSA-N 1 0 312.369 3.251 20 5 DGBDRO CN(C)[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000602587700 400506646 /nfs/dbraw/zinc/50/66/46/400506646.db2.gz RVBLVLOGMHMBEZ-OAHLLOKOSA-N 1 0 319.430 3.091 20 5 DGBDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CS1 ZINC000602598133 400508702 /nfs/dbraw/zinc/50/87/02/400508702.db2.gz BVNNEYNEYJIPHY-CABZTGNLSA-N 1 0 300.811 3.274 20 5 DGBDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000124082133 400473817 /nfs/dbraw/zinc/47/38/17/400473817.db2.gz CBHUJQSQGFPWCW-QGZVFWFLSA-N 1 0 318.373 3.496 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC[C@@H]3CCCCO3)nc2c1 ZINC000602615413 400512089 /nfs/dbraw/zinc/51/20/89/400512089.db2.gz GSZSBVHRYPKJSO-ZDUSSCGKSA-N 1 0 319.361 3.175 20 5 DGBDRO CO[C@](C)([C@@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591048122 400479988 /nfs/dbraw/zinc/47/99/88/400479988.db2.gz AOJVFUVBTYDMOJ-CXAGYDPISA-N 1 0 322.405 3.157 20 5 DGBDRO Cc1cc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000591347935 400512376 /nfs/dbraw/zinc/51/23/76/400512376.db2.gz HLSPTLOPTQKJPI-MRXNPFEDSA-N 1 0 300.362 3.184 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591143164 400491669 /nfs/dbraw/zinc/49/16/69/400491669.db2.gz VNNSTMTWVTUQAL-AWEZNQCLSA-N 1 0 314.389 3.110 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3C[C@@H]3Cc3ccccc3)nc2c1 ZINC000602544916 400493029 /nfs/dbraw/zinc/49/30/29/400493029.db2.gz BYZAWFXGORXMSG-ZFWWWQNUSA-N 1 0 323.352 3.457 20 5 DGBDRO COC(C)(C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602563563 400497098 /nfs/dbraw/zinc/49/70/98/400497098.db2.gz YGHBOAAXCHZFPV-UHFFFAOYSA-N 1 0 306.284 3.128 20 5 DGBDRO CC(C)(C)c1nnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000602567076 400498721 /nfs/dbraw/zinc/49/87/21/400498721.db2.gz HJUHAAWBFMXNFG-UHFFFAOYSA-N 1 0 320.418 3.076 20 5 DGBDRO COc1ccc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000612586708 400570286 /nfs/dbraw/zinc/57/02/86/400570286.db2.gz GHYXFMPTBZUPAD-FNORWQNLSA-N 1 0 313.357 3.144 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCOc3c(F)cccc32)cc1 ZINC000602628260 400516657 /nfs/dbraw/zinc/51/66/57/400516657.db2.gz WIBSKBMYQQJODF-INIZCTEOSA-N 1 0 316.332 3.390 20 5 DGBDRO CC[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000602666865 400531221 /nfs/dbraw/zinc/53/12/21/400531221.db2.gz MKOGROXQMXANKX-LLVKDONJSA-N 1 0 306.284 3.128 20 5 DGBDRO CC[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000602666866 400531600 /nfs/dbraw/zinc/53/16/00/400531600.db2.gz MKOGROXQMXANKX-NSHDSACASA-N 1 0 306.284 3.128 20 5 DGBDRO CCC1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602678267 400536310 /nfs/dbraw/zinc/53/63/10/400536310.db2.gz LTMNCXWTGNFZOM-UHFFFAOYSA-N 1 0 305.197 3.451 20 5 DGBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602678074 400537163 /nfs/dbraw/zinc/53/71/63/400537163.db2.gz BMODQBRXUBIPKA-SECBINFHSA-N 1 0 320.311 3.253 20 5 DGBDRO O=c1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c[nH]1 ZINC000602684048 400538329 /nfs/dbraw/zinc/53/83/29/400538329.db2.gz FBZQZNOKUANXJT-HNNXBMFYSA-N 1 0 313.357 3.075 20 5 DGBDRO CC(C)OCC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602692451 400541101 /nfs/dbraw/zinc/54/11/01/400541101.db2.gz HYFXRTYRCUFTFV-UHFFFAOYSA-N 1 0 307.350 3.029 20 5 DGBDRO CC1(C)C[C@@H](NC[C@@H]2CCCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000591577824 400541752 /nfs/dbraw/zinc/54/17/52/400541752.db2.gz IDNABEFCCWTVRS-BLLLJJGKSA-N 1 0 303.406 3.049 20 5 DGBDRO CC1(C)CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591767753 400554234 /nfs/dbraw/zinc/55/42/34/400554234.db2.gz FHIQQENEHHHURH-ZDUSSCGKSA-N 1 0 319.405 3.339 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000602763815 400566050 /nfs/dbraw/zinc/56/60/50/400566050.db2.gz DNRVUVMDYQMMSD-NSHDSACASA-N 1 0 322.796 3.446 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000046502123 400567186 /nfs/dbraw/zinc/56/71/86/400567186.db2.gz QLRXXAHFRYSRRI-CYBMUJFWSA-N 1 0 316.361 3.409 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCCCCCC3)n2)c1 ZINC000046502301 400567656 /nfs/dbraw/zinc/56/76/56/400567656.db2.gz BARPEKZUZNXJSN-UHFFFAOYSA-N 1 0 316.361 3.411 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCC(C)(C)C ZINC000592144521 400615161 /nfs/dbraw/zinc/61/51/61/400615161.db2.gz KZIRKPBAVQUMAS-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000075898247 400618824 /nfs/dbraw/zinc/61/88/24/400618824.db2.gz VOUIFAHMEDFAEP-KRWDZBQOSA-N 1 0 300.358 3.150 20 5 DGBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000592187003 400620814 /nfs/dbraw/zinc/62/08/14/400620814.db2.gz UIQVIGHRHWTBMD-CQSZACIVSA-N 1 0 320.389 3.007 20 5 DGBDRO Cc1c(NC(=O)CC[NH+]2CCC(C)(F)CC2)cccc1[N+](=O)[O-] ZINC000602992829 400622991 /nfs/dbraw/zinc/62/29/91/400622991.db2.gz HGMWQFMDKQQFRR-UHFFFAOYSA-N 1 0 323.368 3.056 20 5 DGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000047743160 400630028 /nfs/dbraw/zinc/63/00/28/400630028.db2.gz ODELFGDYPDPANA-UHFFFAOYSA-N 1 0 303.406 3.297 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CO)cc1 ZINC000592392865 400643375 /nfs/dbraw/zinc/64/33/75/400643375.db2.gz AWVTWHZSQJJLMI-AWEZNQCLSA-N 1 0 314.385 3.198 20 5 DGBDRO O=C(C[N@H+](C1CC1)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000048008818 400638761 /nfs/dbraw/zinc/63/87/61/400638761.db2.gz FERUNKQJMXZTES-UHFFFAOYSA-N 1 0 317.389 3.330 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000597211684 400589539 /nfs/dbraw/zinc/58/95/39/400589539.db2.gz NOAGNAMSLIWNJJ-WMLDXEAASA-N 1 0 304.390 3.187 20 5 DGBDRO Cc1ccc(C[NH+]2CCC(c3ccon3)CC2)cc1[N+](=O)[O-] ZINC000597227602 400593127 /nfs/dbraw/zinc/59/31/27/400593127.db2.gz HNFYARCXUPQZNM-UHFFFAOYSA-N 1 0 301.346 3.271 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000597225054 400593241 /nfs/dbraw/zinc/59/32/41/400593241.db2.gz MKZBSHNCLCZLDJ-UXHADMKASA-N 1 0 304.390 3.497 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCC(F)(F)CC3)nc2c1 ZINC000592513690 400661674 /nfs/dbraw/zinc/66/16/74/400661674.db2.gz BYEAVRYUTKHPET-UHFFFAOYSA-N 1 0 310.304 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCn2ccnc2)c(Cl)c1 ZINC000049963821 400673951 /nfs/dbraw/zinc/67/39/51/400673951.db2.gz NVGBKTWPSHYDDL-UHFFFAOYSA-N 1 0 308.769 3.015 20 5 DGBDRO CCOc1cccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000077506262 400722249 /nfs/dbraw/zinc/72/22/49/400722249.db2.gz GLWDSAZPDBSBJU-UHFFFAOYSA-N 1 0 316.357 3.162 20 5 DGBDRO Cc1cccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000603859889 400725300 /nfs/dbraw/zinc/72/53/00/400725300.db2.gz HFZVCTHTWUECPK-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c1 ZINC000603864383 400726153 /nfs/dbraw/zinc/72/61/53/400726153.db2.gz BQZHRZKXFTYMEH-IRXDYDNUSA-N 1 0 323.396 3.163 20 5 DGBDRO CCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000052279849 400726632 /nfs/dbraw/zinc/72/66/32/400726632.db2.gz RCCVCABRPZCKMY-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO CC(C)(C)CC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000603942739 400735594 /nfs/dbraw/zinc/73/55/94/400735594.db2.gz SMVUBQTWQHLXOR-UHFFFAOYSA-N 1 0 309.385 3.292 20 5 DGBDRO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])s2)[NH+](C)C)c1 ZINC000603937428 400735672 /nfs/dbraw/zinc/73/56/72/400735672.db2.gz UVWAKEWSFLGDFV-ZDUSSCGKSA-N 1 0 321.402 3.380 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000593053404 400748146 /nfs/dbraw/zinc/74/81/46/400748146.db2.gz FIYKDHIKBIQIBN-OAHLLOKOSA-N 1 0 322.405 3.383 20 5 DGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(F)c1 ZINC000051710095 400707072 /nfs/dbraw/zinc/70/70/72/400707072.db2.gz KHTUAMDESKZKQO-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000078576639 400811315 /nfs/dbraw/zinc/81/13/15/400811315.db2.gz IJRREFQZFNVQDF-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCC(C)C)cccc1[N+](=O)[O-] ZINC000053365426 400777591 /nfs/dbraw/zinc/77/75/91/400777591.db2.gz HWHIJSZVDYSNHV-CYBMUJFWSA-N 1 0 307.394 3.208 20 5 DGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000604525340 400784130 /nfs/dbraw/zinc/78/41/30/400784130.db2.gz QMHXSLJYGGLZBC-UHFFFAOYSA-N 1 0 306.284 3.248 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000619694578 400888346 /nfs/dbraw/zinc/88/83/46/400888346.db2.gz DKBDFURPONXFMA-UHFFFAOYSA-N 1 0 324.450 3.144 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc4c3CCC4)nc2c1 ZINC000593620963 400882752 /nfs/dbraw/zinc/88/27/52/400882752.db2.gz LZAOQSHJLLHYDN-UHFFFAOYSA-N 1 0 322.368 3.250 20 5 DGBDRO CCOc1cncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000598637048 400848114 /nfs/dbraw/zinc/84/81/14/400848114.db2.gz XJKFCQSDNMUDNS-UHFFFAOYSA-N 1 0 315.373 3.413 20 5 DGBDRO CC[N@H+](CCCNc1c([N+](=O)[O-])c(C)nn1C)C1CCCCC1 ZINC000593489722 400864620 /nfs/dbraw/zinc/86/46/20/400864620.db2.gz XNPUYHWNLNKSPW-UHFFFAOYSA-N 1 0 323.441 3.093 20 5 DGBDRO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H](C)S1 ZINC000599050092 400939251 /nfs/dbraw/zinc/93/92/51/400939251.db2.gz VRUQAJTUJIWEJR-GHMZBOCLSA-N 1 0 303.387 3.473 20 5 DGBDRO CCC[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OCC ZINC000599062381 400944734 /nfs/dbraw/zinc/94/47/34/400944734.db2.gz WWMFODPAPDDNHC-QLFBSQMISA-N 1 0 324.425 3.070 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000619746365 400897708 /nfs/dbraw/zinc/89/77/08/400897708.db2.gz PWZCZSFSXDIYNO-MNOVXSKESA-N 1 0 319.386 3.334 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C2CCC2)CC1 ZINC000593725258 400898996 /nfs/dbraw/zinc/89/89/96/400898996.db2.gz WTCYVONLGJMXHV-LBPRGKRZSA-N 1 0 317.389 3.234 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C2CCC2)CC1 ZINC000593725257 400899217 /nfs/dbraw/zinc/89/92/17/400899217.db2.gz WTCYVONLGJMXHV-GFCCVEGCSA-N 1 0 317.389 3.234 20 5 DGBDRO CCC[NH+]1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000079830115 400899283 /nfs/dbraw/zinc/89/92/83/400899283.db2.gz MMDVITODTSPJJY-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)c2ccccc2)c1 ZINC000599081880 400953746 /nfs/dbraw/zinc/95/37/46/400953746.db2.gz OBYHRZDVMASKAU-VHSSKADRSA-N 1 0 312.369 3.045 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2C[C@@H](O)C2)c2ccccc2)c1 ZINC000599081876 400953807 /nfs/dbraw/zinc/95/38/07/400953807.db2.gz OBYHRZDVMASKAU-JEBQAFNWSA-N 1 0 312.369 3.045 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000599016859 400927835 /nfs/dbraw/zinc/92/78/35/400927835.db2.gz VGJSHEDIIFTJPG-AULYBMBSSA-N 1 0 302.330 3.122 20 5 DGBDRO CCC(CC)[NH2+]CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000599098573 400960212 /nfs/dbraw/zinc/96/02/12/400960212.db2.gz XIKNFQSWRISOJZ-UHFFFAOYSA-N 1 0 302.378 3.333 20 5 DGBDRO CCC(CC)[NH2+]CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000599097960 400960496 /nfs/dbraw/zinc/96/04/96/400960496.db2.gz OKNRLTKLQUMDEG-UHFFFAOYSA-N 1 0 302.378 3.333 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC(F)(F)CC1 ZINC000599551509 401075537 /nfs/dbraw/zinc/07/55/37/401075537.db2.gz OIKDRJROCQJKQG-UHFFFAOYSA-N 1 0 300.305 3.095 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000594502709 401082187 /nfs/dbraw/zinc/08/21/87/401082187.db2.gz NTFVIWIJESEECT-NUTKFTJISA-N 1 0 304.390 3.375 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(CO)ccc2F)cc1[N+](=O)[O-] ZINC000599352290 401031469 /nfs/dbraw/zinc/03/14/69/401031469.db2.gz AGHCUHZPTDIQIU-LBPRGKRZSA-N 1 0 318.348 3.385 20 5 DGBDRO Cc1ccccc1OCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000057972712 401039480 /nfs/dbraw/zinc/03/94/80/401039480.db2.gz KWQGAUITALFKBT-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO Cc1cccc(OCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000057971224 401039738 /nfs/dbraw/zinc/03/97/38/401039738.db2.gz DFSFJCBJPXVFNO-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO COc1ccc(C)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000058093313 401042214 /nfs/dbraw/zinc/04/22/14/401042214.db2.gz OQKMGUKTEKZAGN-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000255507022 401104899 /nfs/dbraw/zinc/10/48/99/401104899.db2.gz LYUVAUZQKHHWPQ-OMVNSRBRSA-N 1 0 312.373 3.211 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC2(CC2)CC1 ZINC000599673791 401108543 /nfs/dbraw/zinc/10/85/43/401108543.db2.gz ZBQPAEADELEIAU-ZDUSSCGKSA-N 1 0 317.389 3.188 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CO)CCCC3)o2)cc1 ZINC000083475400 401118636 /nfs/dbraw/zinc/11/86/36/401118636.db2.gz GCWPADPNJOSTGZ-UHFFFAOYSA-N 1 0 316.357 3.250 20 5 DGBDRO COC(=O)C1C[C@H](C)[NH+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000599712340 401123894 /nfs/dbraw/zinc/12/38/94/401123894.db2.gz XCINHDHZMJEGIQ-RYUDHWBXSA-N 1 0 320.389 3.065 20 5 DGBDRO CC(=O)c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594600552 401125932 /nfs/dbraw/zinc/12/59/32/401125932.db2.gz MBLYXTPKNQISAM-GDBMZVCRSA-N 1 0 317.389 3.226 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1[N+](=O)[O-] ZINC000594614462 401135959 /nfs/dbraw/zinc/13/59/59/401135959.db2.gz WRNAOSYVEVZNTK-INIZCTEOSA-N 1 0 304.390 3.437 20 5 DGBDRO C[C@H](O)C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000594616139 401137717 /nfs/dbraw/zinc/13/77/17/401137717.db2.gz SEVSYUBQRWFCGI-LBPRGKRZSA-N 1 0 316.357 3.200 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000599596132 401087292 /nfs/dbraw/zinc/08/72/92/401087292.db2.gz NHTPYSXJRUPIOR-KRWDZBQOSA-N 1 0 322.405 3.024 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599626993 401095552 /nfs/dbraw/zinc/09/55/52/401095552.db2.gz UERPGYALWNNMOA-LKQDWFRTSA-N 1 0 322.405 3.284 20 5 DGBDRO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000615833511 401161572 /nfs/dbraw/zinc/16/15/72/401161572.db2.gz VASDHWZUSNJYPM-MBSJSRAVSA-N 1 0 304.390 3.357 20 5 DGBDRO COc1ccc(OCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000061784321 401164515 /nfs/dbraw/zinc/16/45/15/401164515.db2.gz PIYSRJAKDGOPRD-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCCC1 ZINC000063505296 401197719 /nfs/dbraw/zinc/19/77/19/401197719.db2.gz TZOCDSNHYVGRDM-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2c(C3CC3)cnn2C)cc1[N+](=O)[O-] ZINC000594937202 401198906 /nfs/dbraw/zinc/19/89/06/401198906.db2.gz IWXZGBWADUMJAH-GFCCVEGCSA-N 1 0 314.389 3.365 20 5 DGBDRO CC(C)([NH2+]Cc1ccnn1CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000594941257 401201310 /nfs/dbraw/zinc/20/13/10/401201310.db2.gz RELPAALNZYNHEZ-UHFFFAOYSA-N 1 0 314.389 3.226 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594957513 401207058 /nfs/dbraw/zinc/20/70/58/401207058.db2.gz SDLKEWURJJLMFZ-GFCCVEGCSA-N 1 0 311.813 3.211 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000088724757 401207132 /nfs/dbraw/zinc/20/71/32/401207132.db2.gz YGLXSYAKNKKTJU-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000063282594 401186006 /nfs/dbraw/zinc/18/60/06/401186006.db2.gz RMIZTWLEFZPUAO-UHFFFAOYSA-N 1 0 304.394 3.056 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000090221494 401262843 /nfs/dbraw/zinc/26/28/43/401262843.db2.gz BVGIAGXYQGRSPF-IPQOISQHSA-N 1 0 318.398 3.183 20 5 DGBDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000090521142 401267364 /nfs/dbraw/zinc/26/73/64/401267364.db2.gz UTPWOQSTKYCJLJ-SUMWQHHRSA-N 1 0 300.358 3.287 20 5 DGBDRO C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000090795825 401273370 /nfs/dbraw/zinc/27/33/70/401273370.db2.gz XOUMMASRTUQLBJ-SCLBCKFNSA-N 1 0 312.369 3.079 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000064029349 401228324 /nfs/dbraw/zinc/22/83/24/401228324.db2.gz HFFPEVJNNPOWAC-UHFFFAOYSA-N 1 0 317.414 3.021 20 5 DGBDRO COCCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595021687 401236004 /nfs/dbraw/zinc/23/60/04/401236004.db2.gz DXGQYBQZXBJBOD-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090084576 401254297 /nfs/dbraw/zinc/25/42/97/401254297.db2.gz OUVJQZNJVOKAFP-UHFFFAOYSA-N 1 0 300.362 3.020 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358350137 286039461 /nfs/dbraw/zinc/03/94/61/286039461.db2.gz FVZITFYEUHQGLQ-YPMHNXCESA-N 1 0 320.311 3.339 20 5 DGBDRO CCC(=O)c1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000358933620 286191333 /nfs/dbraw/zinc/19/13/33/286191333.db2.gz LYEPHNUWKAIODR-UHFFFAOYSA-N 1 0 305.378 3.085 20 5 DGBDRO CCC(=O)c1ccc(NC[C@H]2CCCC[N@H+]2CC)c([N+](=O)[O-])c1 ZINC000359502399 286321543 /nfs/dbraw/zinc/32/15/43/286321543.db2.gz NUCHBEQIPZRCNB-CQSZACIVSA-N 1 0 319.405 3.474 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000359683355 286360348 /nfs/dbraw/zinc/36/03/48/286360348.db2.gz ISDOHRWBKMSMIC-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361028684 286580669 /nfs/dbraw/zinc/58/06/69/286580669.db2.gz FSHRSHOIPOZHNL-VXGBXAGGSA-N 1 0 304.346 3.104 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc21 ZINC000185576637 165009143 /nfs/dbraw/zinc/00/91/43/165009143.db2.gz GWOFSHDNQTVRLO-DYVFJYSZSA-N 1 0 312.369 3.292 20 5 DGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000187578777 165095667 /nfs/dbraw/zinc/09/56/67/165095667.db2.gz KXWZXCPXHVEPBD-DGCLKSJQSA-N 1 0 308.378 3.232 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191342490 165244680 /nfs/dbraw/zinc/24/46/80/165244680.db2.gz NVUFHJTZWYHEGN-CYBMUJFWSA-N 1 0 322.409 3.063 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[NH+]1CCC(C)CC1 ZINC000192500575 165294440 /nfs/dbraw/zinc/29/44/40/165294440.db2.gz MQMLHLCHBFLQBD-UHFFFAOYSA-N 1 0 323.441 3.044 20 5 DGBDRO Cc1c[nH+]ccc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192635178 165300893 /nfs/dbraw/zinc/30/08/93/165300893.db2.gz UAWGAFWOUBIDCV-UHFFFAOYSA-N 1 0 313.357 3.346 20 5 DGBDRO [NH3+]C[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CCCC1 ZINC000262484274 165805381 /nfs/dbraw/zinc/80/53/81/165805381.db2.gz KEUIJLIYAHLJGQ-HNNXBMFYSA-N 1 0 300.362 3.072 20 5 DGBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC1CCOCC1 ZINC000129627802 196063053 /nfs/dbraw/zinc/06/30/53/196063053.db2.gz CDECEVAQLUYKRQ-GQCTYLIASA-N 1 0 304.390 3.357 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190902652 432199313 /nfs/dbraw/zinc/19/93/13/432199313.db2.gz HXDOQSASHOBQGG-CYBMUJFWSA-N 1 0 309.797 3.313 20 5 DGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000182463418 432192757 /nfs/dbraw/zinc/19/27/57/432192757.db2.gz ATTWOMBNNJKKNO-DOMZBBRYSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247030414 432193529 /nfs/dbraw/zinc/19/35/29/432193529.db2.gz MFFFKMPVPWPOKG-UKRRQHHQSA-N 1 0 305.422 3.286 20 5 DGBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247053357 432196437 /nfs/dbraw/zinc/19/64/37/432196437.db2.gz MGYQKRWZBVSFDW-GFZCPQIUSA-N 1 0 324.446 3.325 20 5 DGBDRO Cc1cccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000275414899 292558940 /nfs/dbraw/zinc/55/89/40/292558940.db2.gz GRTPFCXUKOTHRL-OAHLLOKOSA-N 1 0 303.406 3.358 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000247166738 432207404 /nfs/dbraw/zinc/20/74/04/432207404.db2.gz UKVGOHOFXIBDSJ-RBSFLKMASA-N 1 0 305.422 3.366 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000131439869 196169398 /nfs/dbraw/zinc/16/93/98/196169398.db2.gz FPXWDWFCLDFELP-CQSZACIVSA-N 1 0 316.405 3.341 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000182722065 432222291 /nfs/dbraw/zinc/22/22/91/432222291.db2.gz ZAAZJANGQHACCN-STQMWFEESA-N 1 0 319.405 3.256 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H](SC)C1 ZINC000134543391 196399877 /nfs/dbraw/zinc/39/98/77/196399877.db2.gz OQNZLWWWJPOVBU-CQSZACIVSA-N 1 0 310.419 3.321 20 5 DGBDRO CO[C@](C)(C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000291128951 222158782 /nfs/dbraw/zinc/15/87/82/222158782.db2.gz GRSBWHFLFDUFNT-SUMWQHHRSA-N 1 0 306.406 3.321 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@](C)(OC)C2CC2)cc1[N+](=O)[O-] ZINC000291181784 222200715 /nfs/dbraw/zinc/20/07/15/222200715.db2.gz KQDUWJCADGROOX-YVEFUNNKSA-N 1 0 322.405 3.459 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CCCO2)c2ccccc2)c1 ZINC000179976630 228354159 /nfs/dbraw/zinc/35/41/59/228354159.db2.gz WEWUCAFPMMBOCY-MSOLQXFVSA-N 1 0 312.369 3.453 20 5 DGBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC1([NH+](C)C)CCC1 ZINC000189007982 228473623 /nfs/dbraw/zinc/47/36/23/228473623.db2.gz YUBFOYSVSLMKTI-RMKNXTFCSA-N 1 0 303.406 3.024 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C)C1 ZINC000299666197 229315997 /nfs/dbraw/zinc/31/59/97/229315997.db2.gz RFWHXCPHCCOGRC-WDEREUQCSA-N 1 0 302.334 3.048 20 5 DGBDRO C[NH+](C)CCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000357479823 229349468 /nfs/dbraw/zinc/34/94/68/229349468.db2.gz UHVYPTYNRZDFTA-UHFFFAOYSA-N 1 0 307.397 3.070 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000301204840 229559974 /nfs/dbraw/zinc/55/99/74/229559974.db2.gz RYOAFXQAHJIHGF-UHFFFAOYSA-N 1 0 318.421 3.365 20 5 DGBDRO Cc1nn(Cc2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000413005700 230109322 /nfs/dbraw/zinc/10/93/22/230109322.db2.gz WWSPJNIUZRCORX-UHFFFAOYSA-N 1 0 314.389 3.134 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000413030412 230114920 /nfs/dbraw/zinc/11/49/20/230114920.db2.gz VGWYNWYUTAUUGS-IHRRRGAJSA-N 1 0 319.405 3.411 20 5 DGBDRO Cc1cccc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302481846 230262189 /nfs/dbraw/zinc/26/21/89/230262189.db2.gz GYYKLLUUDPQQAT-KBPBESRZSA-N 1 0 321.421 3.203 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000186361269 263655833 /nfs/dbraw/zinc/65/58/33/263655833.db2.gz ADJOLOIXZLHCOQ-HOCLYGCPSA-N 1 0 310.369 3.417 20 5 DGBDRO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000346812571 264101850 /nfs/dbraw/zinc/10/18/50/264101850.db2.gz NZCFIEVUXJYNDH-DZGCQCFKSA-N 1 0 318.373 3.486 20 5 DGBDRO COc1ccc(C[NH2+]CCCc2cnccc2C)cc1[N+](=O)[O-] ZINC000347902950 264303293 /nfs/dbraw/zinc/30/32/93/264303293.db2.gz LXDSNGZZKWJQDK-UHFFFAOYSA-N 1 0 315.373 3.029 20 5 DGBDRO C[C@@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CCC1 ZINC000348286281 264382709 /nfs/dbraw/zinc/38/27/09/264382709.db2.gz YHEKGBQHKHLSNJ-NSHDSACASA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccccc2)n1 ZINC000351489194 264708239 /nfs/dbraw/zinc/70/82/39/264708239.db2.gz CHDMYTXKNGCEBD-CABCVRRESA-N 1 0 300.362 3.065 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(F)cc2)n1 ZINC000351526665 264720048 /nfs/dbraw/zinc/72/00/48/264720048.db2.gz YLJBJTXOHZMWAR-LSDHHAIUSA-N 1 0 318.352 3.204 20 5 DGBDRO CCOC1CC(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000351762065 264806929 /nfs/dbraw/zinc/80/69/29/264806929.db2.gz RFTFPIBAWMAHGR-UHFFFAOYSA-N 1 0 304.390 3.374 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000352400845 265033124 /nfs/dbraw/zinc/03/31/24/265033124.db2.gz VDCRGGZUQLVLIA-HOCLYGCPSA-N 1 0 314.389 3.498 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000352613841 265106310 /nfs/dbraw/zinc/10/63/10/265106310.db2.gz ZIWOMVTZYJCASD-CABCVRRESA-N 1 0 310.369 3.369 20 5 DGBDRO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000352715840 265138501 /nfs/dbraw/zinc/13/85/01/265138501.db2.gz GOIWGFQRBDPCEM-GFCCVEGCSA-N 1 0 310.369 3.249 20 5 DGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352799472 265171671 /nfs/dbraw/zinc/17/16/71/265171671.db2.gz YOIJHIBWDVYMNU-DOMZBBRYSA-N 1 0 323.824 3.307 20 5 DGBDRO CCC[N@@H+]1CCC[C@@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353142986 265317037 /nfs/dbraw/zinc/31/70/37/265317037.db2.gz SANVONVGEIFPKL-KQQSKNTNSA-N 1 0 303.406 3.072 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC(O)C1 ZINC000355369243 266052788 /nfs/dbraw/zinc/05/27/88/266052788.db2.gz QKBBVAZRDUCFPG-UHFFFAOYSA-N 1 0 318.398 3.278 20 5 DGBDRO CSc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000356305828 266348780 /nfs/dbraw/zinc/34/87/80/266348780.db2.gz QPIVRXLLJYYPHW-UHFFFAOYSA-N 1 0 323.443 3.344 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CC[NH+](C(C)C)C(C)C ZINC000356349575 266362695 /nfs/dbraw/zinc/36/26/95/266362695.db2.gz DXIDLCXDQYUPNL-UHFFFAOYSA-N 1 0 323.437 3.154 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCC1(C)C ZINC000191290771 432245853 /nfs/dbraw/zinc/24/58/53/432245853.db2.gz ZSTZSIPKOOSDFY-HNNXBMFYSA-N 1 0 319.405 3.400 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000369641351 271302716 /nfs/dbraw/zinc/30/27/16/271302716.db2.gz UWKUHGOEHLSMLF-UHFFFAOYSA-N 1 0 323.356 3.181 20 5 DGBDRO C[C@@H](c1ccccc1F)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369689218 271310183 /nfs/dbraw/zinc/31/01/83/271310183.db2.gz AYFBNLZJZQHQDR-LBPRGKRZSA-N 1 0 318.352 3.329 20 5 DGBDRO CN(C)C1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417360604 273791674 /nfs/dbraw/zinc/79/16/74/273791674.db2.gz XOKHQZSRRGCURO-INIZCTEOSA-N 1 0 303.406 3.046 20 5 DGBDRO COC[C@H]1CC[N@@H+]1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000293689173 274052055 /nfs/dbraw/zinc/05/20/55/274052055.db2.gz WFNLIBXNGAFMQY-OAHLLOKOSA-N 1 0 309.365 3.167 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000106469750 274111266 /nfs/dbraw/zinc/11/12/66/274111266.db2.gz DJKHZMFJUOGMMF-AWEZNQCLSA-N 1 0 314.341 3.086 20 5 DGBDRO C[C@@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000425919915 274225644 /nfs/dbraw/zinc/22/56/44/274225644.db2.gz GSQXEFFDUWZQBO-LRDDRELGSA-N 1 0 305.422 3.105 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000332144216 274313188 /nfs/dbraw/zinc/31/31/88/274313188.db2.gz HIIGWCHRQZJLMD-NTZNESFSSA-N 1 0 302.378 3.385 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000093214433 274962367 /nfs/dbraw/zinc/96/23/67/274962367.db2.gz IBBOSURSWHRKPJ-VHSXEESVSA-N 1 0 303.284 3.295 20 5 DGBDRO O=c1cc(C[N@H+]2CCC[C@@H](O)CC2)c2c(ccc3ccccc32)o1 ZINC000292976642 275043738 /nfs/dbraw/zinc/04/37/38/275043738.db2.gz AYUBFQBBXQDSLK-MRXNPFEDSA-N 1 0 323.392 3.293 20 5 DGBDRO OCC1(C[NH2+]Cc2c3ccccc3cc3ccccc32)COC1 ZINC000269469067 275045427 /nfs/dbraw/zinc/04/54/27/275045427.db2.gz IOPPFMFMCNOMCT-UHFFFAOYSA-N 1 0 307.393 3.092 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433258459 275867821 /nfs/dbraw/zinc/86/78/21/275867821.db2.gz UGUGUMRWHKAHBN-MRRJBJDNSA-N 1 0 318.417 3.458 20 5 DGBDRO CCOC(=O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182628563 276274706 /nfs/dbraw/zinc/27/47/06/276274706.db2.gz WBDYUOQRZQPDNY-ZDUSSCGKSA-N 1 0 320.389 3.239 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSCC[C@@H]1C ZINC000191816059 276377053 /nfs/dbraw/zinc/37/70/53/276377053.db2.gz PDHUJNVLNMBYFL-LBPRGKRZSA-N 1 0 310.419 3.321 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C)CC1 ZINC000271176564 276573288 /nfs/dbraw/zinc/57/32/88/276573288.db2.gz VBNNFHXCALVBIJ-CYBMUJFWSA-N 1 0 323.462 3.149 20 5 DGBDRO CSC[C@H](CCO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433274109 278137749 /nfs/dbraw/zinc/13/77/49/278137749.db2.gz MJAWZMPIRINIFI-NHYWBVRUSA-N 1 0 324.446 3.021 20 5 DGBDRO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000343914828 278335202 /nfs/dbraw/zinc/33/52/02/278335202.db2.gz MVQXQQUZFMCUPY-CYBMUJFWSA-N 1 0 303.406 3.262 20 5 DGBDRO C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262466491 278557496 /nfs/dbraw/zinc/55/74/96/278557496.db2.gz IYENZFPMJHZVER-NXEZZACHSA-N 1 0 317.311 3.035 20 5 DGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000172863313 279078950 /nfs/dbraw/zinc/07/89/50/279078950.db2.gz IIURCGCEVILPDR-NWDGAFQWSA-N 1 0 306.362 3.082 20 5 DGBDRO CC(C)C[C@H](C[NH3+])N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423272556 279142299 /nfs/dbraw/zinc/14/22/99/279142299.db2.gz ZDSCLTWEQJVAER-MLGOLLRUSA-N 1 0 305.422 3.280 20 5 DGBDRO C[C@@]1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000417309940 279163011 /nfs/dbraw/zinc/16/30/11/279163011.db2.gz JJUZIMLBOYXIPY-IRXDYDNUSA-N 1 0 304.390 3.379 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000111253694 431199813 /nfs/dbraw/zinc/19/98/13/431199813.db2.gz PCNACHYBHPKWOA-GFCCVEGCSA-N 1 0 307.394 3.210 20 5 DGBDRO O=[N+]([O-])c1ccc(CCN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000069033087 431157963 /nfs/dbraw/zinc/15/79/63/431157963.db2.gz OOWANPADIINILI-GOSISDBHSA-N 1 0 317.433 3.088 20 5 DGBDRO CC[C@]1(C)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072803151 431352053 /nfs/dbraw/zinc/35/20/53/431352053.db2.gz JPDCPWQFYGAIDI-QGZVFWFLSA-N 1 0 319.405 3.436 20 5 DGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1cccs1 ZINC000075966621 431509978 /nfs/dbraw/zinc/50/99/78/431509978.db2.gz SLXBUGQXYPGIKP-UHFFFAOYSA-N 1 0 306.387 3.210 20 5 DGBDRO CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000117344854 431557649 /nfs/dbraw/zinc/55/76/49/431557649.db2.gz LQDITFMQNSHDAI-ZDUSSCGKSA-N 1 0 305.378 3.045 20 5 DGBDRO CCOc1cccc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286294850 279973170 /nfs/dbraw/zinc/97/31/70/279973170.db2.gz JAOGZPRNNSOGRG-KBPBESRZSA-N 1 0 319.405 3.057 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000286357469 280372793 /nfs/dbraw/zinc/37/27/93/280372793.db2.gz WXGNTCJHSKIWJP-DOMZBBRYSA-N 1 0 319.380 3.187 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCCC[C@@H]2c2ccccc2)c1 ZINC000174823508 280383893 /nfs/dbraw/zinc/38/38/93/280383893.db2.gz OTYCGFZFQHFTRT-QGZVFWFLSA-N 1 0 314.389 3.409 20 5 DGBDRO COc1cc(NC2CC[NH+](C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000119130653 431650529 /nfs/dbraw/zinc/65/05/29/431650529.db2.gz PHXQIACNEGHYFB-UHFFFAOYSA-N 1 0 311.357 3.027 20 5 DGBDRO CCC[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119115767 431651189 /nfs/dbraw/zinc/65/11/89/431651189.db2.gz AEGXAXOQNNTBSR-DLBZAZTESA-N 1 0 322.405 3.221 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000078281841 431654030 /nfs/dbraw/zinc/65/40/30/431654030.db2.gz QTTXDTTUHIXYCJ-ZDUSSCGKSA-N 1 0 316.361 3.409 20 5 DGBDRO Cc1csc(C(C)(C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000118849242 431625262 /nfs/dbraw/zinc/62/52/62/431625262.db2.gz XIAAKOXBDACOLI-UHFFFAOYSA-N 1 0 305.403 3.427 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000119272543 431667150 /nfs/dbraw/zinc/66/71/50/431667150.db2.gz LSUADUSWCCNKRN-JKSUJKDBSA-N 1 0 318.417 3.463 20 5 DGBDRO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000026476945 431674484 /nfs/dbraw/zinc/67/44/84/431674484.db2.gz NEHPPDBJGCMINC-CJNGLKHVSA-N 1 0 319.405 3.068 20 5 DGBDRO Cc1cc(N2CCC[C@@H](CO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000294282813 280550596 /nfs/dbraw/zinc/55/05/96/280550596.db2.gz XUKLUWSZMQMIIJ-CYBMUJFWSA-N 1 0 315.373 3.050 20 5 DGBDRO COc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1OC ZINC000079723749 431742197 /nfs/dbraw/zinc/74/21/97/431742197.db2.gz JKZKSIXZNGXMNV-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO Cc1c(CN2CCO[C@@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000121270182 431763656 /nfs/dbraw/zinc/76/36/56/431763656.db2.gz VPQSNHCQVWBDEG-MRXNPFEDSA-N 1 0 302.330 3.070 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000123437810 431864910 /nfs/dbraw/zinc/86/49/10/431864910.db2.gz QOLWFHSWAUBACY-TXEJJXNPSA-N 1 0 305.378 3.105 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000123605498 431869718 /nfs/dbraw/zinc/86/97/18/431869718.db2.gz ITXOJXNWGMFFSP-SUMWQHHRSA-N 1 0 300.358 3.287 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000122441447 431832507 /nfs/dbraw/zinc/83/25/07/431832507.db2.gz YNNFMSORFSFTJW-CQSZACIVSA-N 1 0 308.378 3.039 20 5 DGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000125228793 431918543 /nfs/dbraw/zinc/91/85/43/431918543.db2.gz VREGSINDIHMTIR-UONOGXRCSA-N 1 0 319.405 3.068 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3C[C@@H]4CCC[C@H]4C3)co2)cc1 ZINC000089909461 431884649 /nfs/dbraw/zinc/88/46/49/431884649.db2.gz PHUNWKYWULEQEP-KBPBESRZSA-N 1 0 313.357 3.482 20 5 DGBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccnc1 ZINC000125652477 431932494 /nfs/dbraw/zinc/93/24/94/431932494.db2.gz ABXTXYQBQSZBDJ-UHFFFAOYSA-N 1 0 315.373 3.279 20 5 DGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CC1 ZINC000125678963 431933639 /nfs/dbraw/zinc/93/36/39/431933639.db2.gz ZUHIWOBFRIQKNE-UHFFFAOYSA-N 1 0 300.305 3.428 20 5 DGBDRO CCC[NH+]1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049963689 431945747 /nfs/dbraw/zinc/94/57/47/431945747.db2.gz YFRGONQOHALLQS-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000053156110 431961680 /nfs/dbraw/zinc/96/16/80/431961680.db2.gz VUHHNBVHPLFXEX-UHFFFAOYSA-N 1 0 306.749 3.417 20 5 DGBDRO Cc1ccc(-c2csc(C3CC[NH2+]CC3)n2)cc1[N+](=O)[O-] ZINC000053252418 431961859 /nfs/dbraw/zinc/96/18/59/431961859.db2.gz SQLVKMXCKHVJSN-UHFFFAOYSA-N 1 0 303.387 3.494 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC000126980463 431962101 /nfs/dbraw/zinc/96/21/01/431962101.db2.gz HTLOUZXRWQHCPB-BETUJISGSA-N 1 0 316.357 3.464 20 5 DGBDRO CCC[C@@H]([NH2+]CCCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000127072728 431963817 /nfs/dbraw/zinc/96/38/17/431963817.db2.gz MTVNUDDZIRWVHN-MRXNPFEDSA-N 1 0 302.378 3.312 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000127349429 431969685 /nfs/dbraw/zinc/96/96/85/431969685.db2.gz OZTZYIRHNIGDIX-XUSGNXJCSA-N 1 0 312.435 3.101 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C2OCCO2)CC1 ZINC000182738375 281021155 /nfs/dbraw/zinc/02/11/55/281021155.db2.gz MQKUUWWCKGLKDI-ZDUSSCGKSA-N 1 0 320.389 3.049 20 5 DGBDRO Cc1ccccc1[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000183202410 432268987 /nfs/dbraw/zinc/26/89/87/432268987.db2.gz ZSQPGDYWTODWBS-MRXNPFEDSA-N 1 0 302.378 3.087 20 5 DGBDRO C[C@H]([NH2+]CCc1cn2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000173311450 432271606 /nfs/dbraw/zinc/27/16/06/432271606.db2.gz VDBIGXFOPBZVIH-ZDUSSCGKSA-N 1 0 310.357 3.136 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000248200258 432275356 /nfs/dbraw/zinc/27/53/56/432275356.db2.gz YLXHBAFPWCTCFI-CAOSSQGBSA-N 1 0 304.390 3.449 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000248200260 432275852 /nfs/dbraw/zinc/27/58/52/432275852.db2.gz YLXHBAFPWCTCFI-QXSJWSMHSA-N 1 0 304.390 3.449 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000183355179 432284961 /nfs/dbraw/zinc/28/49/61/432284961.db2.gz GPSJFNAEXFQWRW-KRWDZBQOSA-N 1 0 316.332 3.387 20 5 DGBDRO CC(C)=CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000191631451 432286230 /nfs/dbraw/zinc/28/62/30/432286230.db2.gz CUCYKEJQZSVOAH-UHFFFAOYSA-N 1 0 300.362 3.051 20 5 DGBDRO CCN(CCC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000191673327 432290692 /nfs/dbraw/zinc/29/06/92/432290692.db2.gz MFXQQNSECZFSMC-UHFFFAOYSA-N 1 0 322.409 3.017 20 5 DGBDRO CN(C)[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000152028452 432298041 /nfs/dbraw/zinc/29/80/41/432298041.db2.gz FAUJPDZBNZMADI-CQSZACIVSA-N 1 0 323.780 3.234 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248031110 432263981 /nfs/dbraw/zinc/26/39/81/432263981.db2.gz QJVFIFZJCGUZOK-DZGCQCFKSA-N 1 0 323.824 3.164 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CCOCC1 ZINC000271019312 432316118 /nfs/dbraw/zinc/31/61/18/432316118.db2.gz ADPVMYMWOZUEIL-CQSZACIVSA-N 1 0 324.446 3.482 20 5 DGBDRO Cc1ccc(C[NH2+][C@](C)(CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000152769232 432354903 /nfs/dbraw/zinc/35/49/03/432354903.db2.gz STCWWNGJVKWAKS-QGZVFWFLSA-N 1 0 306.406 3.324 20 5 DGBDRO COCc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000271064455 432325538 /nfs/dbraw/zinc/32/55/38/432325538.db2.gz ILWDDANLFLJJCH-UHFFFAOYSA-N 1 0 316.357 3.499 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC1 ZINC000271140850 432337616 /nfs/dbraw/zinc/33/76/16/432337616.db2.gz OGXREIXTGYDLJL-QWHCGFSZSA-N 1 0 310.419 3.092 20 5 DGBDRO CC[C@@]1(CO)CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000249593921 432352512 /nfs/dbraw/zinc/35/25/12/432352512.db2.gz WFJOLTVUKLTTJV-RHSMWYFYSA-N 1 0 306.406 3.449 20 5 DGBDRO CC[C@@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H]1O ZINC000270932689 432306125 /nfs/dbraw/zinc/30/61/25/432306125.db2.gz QJTLJEOQOUCSGF-DYVFJYSZSA-N 1 0 323.392 3.149 20 5 DGBDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000152216628 432314979 /nfs/dbraw/zinc/31/49/79/432314979.db2.gz UQQLSIPTSLWIGO-MEYUZBJRSA-N 1 0 302.374 3.203 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000174917414 432378798 /nfs/dbraw/zinc/37/87/98/432378798.db2.gz DCFFXBVZBFBDSL-AWEZNQCLSA-N 1 0 321.421 3.162 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1ccccc1)CCC2 ZINC000192597745 432391726 /nfs/dbraw/zinc/39/17/26/432391726.db2.gz MKZFDZARXGIAHX-MSOLQXFVSA-N 1 0 312.369 3.295 20 5 DGBDRO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000271425138 432392143 /nfs/dbraw/zinc/39/21/43/432392143.db2.gz CNSFMBLZKDICLW-BDJLRTHQSA-N 1 0 304.321 3.118 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000271423254 432392284 /nfs/dbraw/zinc/39/22/84/432392284.db2.gz CDOJOOCGMGWRFK-XJKSGUPXSA-N 1 0 302.378 3.311 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000184442245 432392362 /nfs/dbraw/zinc/39/23/62/432392362.db2.gz ULFIHRZVVMGDIP-KBPBESRZSA-N 1 0 321.402 3.134 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000153242373 432394754 /nfs/dbraw/zinc/39/47/54/432394754.db2.gz BZYAFFDHORADIG-TZMCWYRMSA-N 1 0 308.378 3.213 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000271469501 432401641 /nfs/dbraw/zinc/40/16/41/432401641.db2.gz FYCKZVSMUHWYDQ-YPMHNXCESA-N 1 0 316.361 3.408 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000271468675 432402829 /nfs/dbraw/zinc/40/28/29/432402829.db2.gz LJBWZLFPAGWEKR-WBMJQRKESA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000251592956 432368987 /nfs/dbraw/zinc/36/89/87/432368987.db2.gz FODVAEGJFIWNCG-MMTVNHQJSA-N 1 0 304.390 3.073 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCCCCO ZINC000192925664 432428166 /nfs/dbraw/zinc/42/81/66/432428166.db2.gz NFAGJPSZQHGOCM-HOCLYGCPSA-N 1 0 306.406 3.058 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCCCCO ZINC000192925675 432429205 /nfs/dbraw/zinc/42/92/05/432429205.db2.gz NFAGJPSZQHGOCM-ZBFHGGJFSA-N 1 0 306.406 3.058 20 5 DGBDRO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193018483 432440906 /nfs/dbraw/zinc/44/09/06/432440906.db2.gz GZXPFINDAJCZQM-XWIAVFTESA-N 1 0 317.433 3.291 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCO[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000193092178 432448623 /nfs/dbraw/zinc/44/86/23/432448623.db2.gz OCFFBRKTSUPHLY-BBRMVZONSA-N 1 0 308.378 3.097 20 5 DGBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000261809225 432452971 /nfs/dbraw/zinc/45/29/71/432452971.db2.gz HJZOZDHFGSJTTD-FQEVSTJZSA-N 1 0 319.408 3.199 20 5 DGBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153931102 432458342 /nfs/dbraw/zinc/45/83/42/432458342.db2.gz OOQZGWGYWOWZGN-CYBMUJFWSA-N 1 0 312.797 3.497 20 5 DGBDRO CCOC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175233983 432412886 /nfs/dbraw/zinc/41/28/86/432412886.db2.gz LBVHGQZZERHSBV-CQSZACIVSA-N 1 0 322.405 3.242 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000192800615 432416166 /nfs/dbraw/zinc/41/61/66/432416166.db2.gz MGMUYOZJFUXUPY-DOMZBBRYSA-N 1 0 319.405 3.400 20 5 DGBDRO CCC(CC)[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192854634 432422185 /nfs/dbraw/zinc/42/21/85/432422185.db2.gz RJMQQYOHFISGSS-SJORKVTESA-N 1 0 306.406 3.359 20 5 DGBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000192910185 432426986 /nfs/dbraw/zinc/42/69/86/432426986.db2.gz IRUSQXMXQBZVTQ-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153645194 432427825 /nfs/dbraw/zinc/42/78/25/432427825.db2.gz QAXAMCWVVWMNRK-NSHDSACASA-N 1 0 312.801 3.176 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)cccc1[N+](=O)[O-] ZINC000154098057 432472001 /nfs/dbraw/zinc/47/20/01/432472001.db2.gz XRVQBNZOROHZEN-CZUORRHYSA-N 1 0 317.389 3.450 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000154543028 432506419 /nfs/dbraw/zinc/50/64/19/432506419.db2.gz TYBNKRQYSSIUSZ-HUUCEWRRSA-N 1 0 306.387 3.431 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](CO)C3)o2)c1 ZINC000154587333 432507499 /nfs/dbraw/zinc/50/74/99/432507499.db2.gz LEJKDDFVQFTSCF-ZDUSSCGKSA-N 1 0 316.357 3.059 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000193920521 432510216 /nfs/dbraw/zinc/51/02/16/432510216.db2.gz LSVOQZOZIPSVBN-XJKSGUPXSA-N 1 0 319.405 3.037 20 5 DGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000193333782 432467497 /nfs/dbraw/zinc/46/74/97/432467497.db2.gz XFJKAFZYIDKTMN-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCCCC2)c2cccnc21 ZINC000194438777 432551100 /nfs/dbraw/zinc/55/11/00/432551100.db2.gz KSYZDICBFAEKPS-UHFFFAOYSA-N 1 0 301.346 3.008 20 5 DGBDRO Cc1cc(N2CCOC3(CCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272882520 432536068 /nfs/dbraw/zinc/53/60/68/432536068.db2.gz VTZGFVGZJURMGD-UHFFFAOYSA-N 1 0 313.357 3.211 20 5 DGBDRO Cc1cc(NC[C@H](C)C[C@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272862199 432537492 /nfs/dbraw/zinc/53/74/92/432537492.db2.gz QOBWCPHHLIMMGT-PWSUYJOCSA-N 1 0 303.362 3.270 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCO[C@@H]21 ZINC000273034472 432541633 /nfs/dbraw/zinc/54/16/33/432541633.db2.gz CQQVEFVTFGLTBJ-YUTCNCBUSA-N 1 0 310.781 3.151 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCO[C@H]21 ZINC000273034468 432541904 /nfs/dbraw/zinc/54/19/04/432541904.db2.gz CQQVEFVTFGLTBJ-IACUBPJLSA-N 1 0 310.781 3.151 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCO[C@@H]21 ZINC000273034466 432542168 /nfs/dbraw/zinc/54/21/68/432542168.db2.gz CQQVEFVTFGLTBJ-BNOWGMLFSA-N 1 0 310.781 3.151 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)c1ccco1 ZINC000186560027 432607684 /nfs/dbraw/zinc/60/76/84/432607684.db2.gz XXYQCGCBXHABGR-ZFWWWQNUSA-N 1 0 318.373 3.222 20 5 DGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000195167949 432611087 /nfs/dbraw/zinc/61/10/87/432611087.db2.gz FENHUPKQMSACOT-CYBMUJFWSA-N 1 0 320.437 3.485 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1CCOCC1 ZINC000155984944 432583831 /nfs/dbraw/zinc/58/38/31/432583831.db2.gz YALQYSGTNTXWQY-UHFFFAOYSA-N 1 0 322.405 3.240 20 5 DGBDRO C[C@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000155977740 432584134 /nfs/dbraw/zinc/58/41/34/432584134.db2.gz VZJNBZBRPMORJD-ILXRZTDVSA-N 1 0 305.422 3.366 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000177121223 432587870 /nfs/dbraw/zinc/58/78/70/432587870.db2.gz QPKJBUQGYNMYOJ-GFCCVEGCSA-N 1 0 304.321 3.464 20 5 DGBDRO COc1cc(C[N@H+](C)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000157500933 432623057 /nfs/dbraw/zinc/62/30/57/432623057.db2.gz TYASITJRXOCWJB-UHFFFAOYSA-N 1 0 308.378 3.377 20 5 DGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000195718766 432633786 /nfs/dbraw/zinc/63/37/86/432633786.db2.gz AWGNBCQCIOFHND-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000274229471 432641913 /nfs/dbraw/zinc/64/19/13/432641913.db2.gz DSDNUBIUJRAVFJ-INIZCTEOSA-N 1 0 314.341 3.217 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2cncc(C)c2)cc1[N+](=O)[O-] ZINC000274673741 432696521 /nfs/dbraw/zinc/69/65/21/432696521.db2.gz YLVSXGVACZRCMG-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000178150492 432700082 /nfs/dbraw/zinc/70/00/82/432700082.db2.gz XBHPLVVSBQTWST-OAHLLOKOSA-N 1 0 318.352 3.152 20 5 DGBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000227687659 432713552 /nfs/dbraw/zinc/71/35/52/432713552.db2.gz FLRZKQMXVCSDNN-RYUDHWBXSA-N 1 0 323.393 3.159 20 5 DGBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178299691 432716734 /nfs/dbraw/zinc/71/67/34/432716734.db2.gz MPLKYVIXKQTAOC-LLVKDONJSA-N 1 0 321.402 3.057 20 5 DGBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065231 432723100 /nfs/dbraw/zinc/72/31/00/432723100.db2.gz JMIQSDMJZUBISM-XHDPSFHLSA-N 1 0 311.813 3.020 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000177909212 432671403 /nfs/dbraw/zinc/67/14/03/432671403.db2.gz DPPVYIHQOKKVEP-ZDUSSCGKSA-N 1 0 313.357 3.193 20 5 DGBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178718898 432769551 /nfs/dbraw/zinc/76/95/51/432769551.db2.gz ZFXZAJOYFLYPQZ-NEPJUHHUSA-N 1 0 302.378 3.357 20 5 DGBDRO CC[NH+](CC)C[C@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266607018 432771139 /nfs/dbraw/zinc/77/11/39/432771139.db2.gz UNRPCGILSXIUFP-HUUCEWRRSA-N 1 0 305.422 3.320 20 5 DGBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000235164495 432742268 /nfs/dbraw/zinc/74/22/68/432742268.db2.gz MZCXPXHZODISRE-RYUDHWBXSA-N 1 0 323.393 3.159 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266761220 432785315 /nfs/dbraw/zinc/78/53/15/432785315.db2.gz GRPOERPHRRBDEX-BZNIZROVSA-N 1 0 304.321 3.118 20 5 DGBDRO C[C@H]([NH2+]CCc1nc2ccccc2n1C)c1cccc([N+](=O)[O-])c1 ZINC000266790667 432787794 /nfs/dbraw/zinc/78/77/94/432787794.db2.gz PCKKUNOFFHLPEP-ZDUSSCGKSA-N 1 0 324.384 3.375 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849574 432791909 /nfs/dbraw/zinc/79/19/09/432791909.db2.gz BZSKUDPOHLGWCO-LSDHHAIUSA-N 1 0 305.422 3.320 20 5 DGBDRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266872744 432793237 /nfs/dbraw/zinc/79/32/37/432793237.db2.gz NLUJCMKVFXQIQK-NXEZZACHSA-N 1 0 306.284 3.213 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCOC2)s1 ZINC000178996080 432794168 /nfs/dbraw/zinc/79/41/68/432794168.db2.gz LNCJXYSIIFULCT-NSHDSACASA-N 1 0 304.371 3.202 20 5 DGBDRO Cc1cnc(NCc2ccc(CC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000276305284 432795053 /nfs/dbraw/zinc/79/50/53/432795053.db2.gz MIIFOWMODGPJTB-UHFFFAOYSA-N 1 0 314.389 3.014 20 5 DGBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189518626 432795287 /nfs/dbraw/zinc/79/52/87/432795287.db2.gz QDQOJYIOHKEUIZ-JYJNAYRXSA-N 1 0 324.446 3.282 20 5 DGBDRO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000266899114 432795530 /nfs/dbraw/zinc/79/55/30/432795530.db2.gz SZBIQVZPCARKFC-CYBMUJFWSA-N 1 0 303.406 3.262 20 5 DGBDRO Cc1ccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000237644146 432795996 /nfs/dbraw/zinc/79/59/96/432795996.db2.gz RFOGXVCJAJJIGJ-UONOGXRCSA-N 1 0 305.378 3.139 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266924246 432799048 /nfs/dbraw/zinc/79/90/48/432799048.db2.gz ZDSWDEXIWGBFBH-ZBEGNZNMSA-N 1 0 304.321 3.118 20 5 DGBDRO CN(C)c1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000276345668 432799283 /nfs/dbraw/zinc/79/92/83/432799283.db2.gz VEUDENCUSYWGTJ-UHFFFAOYSA-N 1 0 317.364 3.432 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CCCn2cnc3ccccc32)cs1 ZINC000237973260 432807183 /nfs/dbraw/zinc/80/71/83/432807183.db2.gz AJDPURUQLTXBJS-UHFFFAOYSA-N 1 0 316.386 3.186 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245517669 432838897 /nfs/dbraw/zinc/83/88/97/432838897.db2.gz HBXITKKIUVVVHM-GRDNDAEWSA-N 1 0 304.390 3.465 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245875564 432867275 /nfs/dbraw/zinc/86/72/75/432867275.db2.gz MOTZZISHXXDHPU-HOTGVXAUSA-N 1 0 322.430 3.081 20 5 DGBDRO CC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000278383169 432892170 /nfs/dbraw/zinc/89/21/70/432892170.db2.gz DEJNPDXUXRZOLV-INIZCTEOSA-N 1 0 304.390 3.379 20 5 DGBDRO CC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245544620 432841992 /nfs/dbraw/zinc/84/19/92/432841992.db2.gz MJASUPVLHOLSKR-QRTARXTBSA-N 1 0 306.406 3.057 20 5 DGBDRO CC[C@H](C)c1nnc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000277431688 432849481 /nfs/dbraw/zinc/84/94/81/432849481.db2.gz NNSUYIXQCFGULV-QWRGUYRKSA-N 1 0 303.366 3.077 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCCOC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000163497873 432854179 /nfs/dbraw/zinc/85/41/79/432854179.db2.gz AMJDHEFELSUGQU-GJZGRUSLSA-N 1 0 322.405 3.140 20 5 DGBDRO CC(C)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330680311 432925173 /nfs/dbraw/zinc/92/51/73/432925173.db2.gz YKDGLYRCUKRESL-UKRRQHHQSA-N 1 0 305.422 3.291 20 5 DGBDRO C[C@H]([NH2+]CCc1nc2ccccc2n1C)c1ccc([N+](=O)[O-])cc1 ZINC000296705078 432925302 /nfs/dbraw/zinc/92/53/02/432925302.db2.gz LJEPAGMWLGDEAP-ZDUSSCGKSA-N 1 0 324.384 3.375 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279066227 432930870 /nfs/dbraw/zinc/93/08/70/432930870.db2.gz LHSFXDOIUMQFKP-LRDDRELGSA-N 1 0 304.390 3.476 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCSC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331155277 432932668 /nfs/dbraw/zinc/93/26/68/432932668.db2.gz JNHCSPHTXUYGAT-UHFFFAOYSA-N 1 0 310.419 3.321 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000279135048 432938652 /nfs/dbraw/zinc/93/86/52/432938652.db2.gz RILVGRVOAAOPQX-ZLIFDBKOSA-N 1 0 318.417 3.458 20 5 DGBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c2nccn21 ZINC000296329726 432897288 /nfs/dbraw/zinc/89/72/88/432897288.db2.gz GHLQPKFLMJLKPM-GXFFZTMASA-N 1 0 320.780 3.283 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H]1CCSC1 ZINC000278811463 432904264 /nfs/dbraw/zinc/90/42/64/432904264.db2.gz SLEJTQXNXQBDAJ-SNVBAGLBSA-N 1 0 300.811 3.133 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H]1CCSC1 ZINC000278811461 432904327 /nfs/dbraw/zinc/90/43/27/432904327.db2.gz SLEJTQXNXQBDAJ-JTQLQIEISA-N 1 0 300.811 3.133 20 5 DGBDRO Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000330441838 432910414 /nfs/dbraw/zinc/91/04/14/432910414.db2.gz DZZUGDAWUVTLBZ-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO Cc1c(CNC2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000330456663 432910630 /nfs/dbraw/zinc/91/06/30/432910630.db2.gz OAOALBBAARGXHW-UHFFFAOYSA-N 1 0 305.422 3.256 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000330617489 432920483 /nfs/dbraw/zinc/92/04/83/432920483.db2.gz GBIAYMNDJCBFMP-CQSZACIVSA-N 1 0 319.405 3.352 20 5 DGBDRO CC1=CCN(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000332181722 432981944 /nfs/dbraw/zinc/98/19/44/432981944.db2.gz VRNJLJXDGQQWMW-GOSISDBHSA-N 1 0 315.417 3.214 20 5 DGBDRO Cc1cnn([C@@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000290033929 432982107 /nfs/dbraw/zinc/98/21/07/432982107.db2.gz VZLVHGWRQSCZLK-GOEBONIOSA-N 1 0 314.389 3.416 20 5 DGBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCS1 ZINC000331683653 432958893 /nfs/dbraw/zinc/95/88/93/432958893.db2.gz WUJXNULUHPDLHI-UMVBOHGHSA-N 1 0 324.450 3.150 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000279364707 432960421 /nfs/dbraw/zinc/96/04/21/432960421.db2.gz WOCARRGXIWDKIK-BBRMVZONSA-N 1 0 322.405 3.023 20 5 DGBDRO CSC1(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000290182172 433006847 /nfs/dbraw/zinc/00/68/47/433006847.db2.gz ZHIBGEPTEWMUJP-UHFFFAOYSA-N 1 0 322.430 3.334 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000332444236 433006966 /nfs/dbraw/zinc/00/69/66/433006966.db2.gz JHYIETALJXHARB-GFCCVEGCSA-N 1 0 300.362 3.259 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCCCC2)c2cccnc21 ZINC000341391380 433047151 /nfs/dbraw/zinc/04/71/51/433047151.db2.gz LRDVEGKBMSCURL-UHFFFAOYSA-N 1 0 315.373 3.398 20 5 DGBDRO CC[C@@](C)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000453309834 433081228 /nfs/dbraw/zinc/08/12/28/433081228.db2.gz XZVHGKBBAFFHAG-WBVHZDCISA-N 1 0 306.406 3.321 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000341491363 433092155 /nfs/dbraw/zinc/09/21/55/433092155.db2.gz UCGYYGCDRSIEKO-RYUDHWBXSA-N 1 0 308.378 3.138 20 5 DGBDRO CC(=O)c1cc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000341540089 433123425 /nfs/dbraw/zinc/12/34/25/433123425.db2.gz YSSNBYRVTLDUNB-STQMWFEESA-N 1 0 319.405 3.330 20 5 DGBDRO Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420222920 433127164 /nfs/dbraw/zinc/12/71/64/433127164.db2.gz YNRYLFOSBFHTPN-NXEZZACHSA-N 1 0 317.311 3.096 20 5 DGBDRO Cc1cc(N2CC[C@H](C)C[C@@H]2C[NH3+])c2cccc([N+](=O)[O-])c2n1 ZINC000420255721 433137700 /nfs/dbraw/zinc/13/77/00/433137700.db2.gz GGUGZMIHVHVKDE-WCQYABFASA-N 1 0 314.389 3.015 20 5 DGBDRO Cc1cc(N[C@@H](C)CCC[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420255994 433138226 /nfs/dbraw/zinc/13/82/26/433138226.db2.gz GNJILJMNEKGEJQ-VIFPVBQESA-N 1 0 305.300 3.461 20 5 DGBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1Cl ZINC000420281101 433143930 /nfs/dbraw/zinc/14/39/30/433143930.db2.gz QVQHSHQKXLBALG-AWEZNQCLSA-N 1 0 320.780 3.318 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000420282408 433144037 /nfs/dbraw/zinc/14/40/37/433144037.db2.gz NCUSMNBHCQBNQO-RYUDHWBXSA-N 1 0 300.362 3.072 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420286071 433144502 /nfs/dbraw/zinc/14/45/02/433144502.db2.gz QFICWVUVEWOSRJ-VXGBXAGGSA-N 1 0 300.362 3.072 20 5 DGBDRO [NH3+]CC[C@H](Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000420275184 433146076 /nfs/dbraw/zinc/14/60/76/433146076.db2.gz ZFUGKHHDRQXGBQ-ZETCQYMHSA-N 1 0 314.119 3.296 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000453344403 433109171 /nfs/dbraw/zinc/10/91/71/433109171.db2.gz DEIYLJWMPHBCQT-JCURWCKSSA-N 1 0 318.417 3.458 20 5 DGBDRO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446838874 433113250 /nfs/dbraw/zinc/11/32/50/433113250.db2.gz MYUNTKDOOPJYKZ-CHWSQXEVSA-N 1 0 302.378 3.385 20 5 DGBDRO Cc1cc(NCC[C@@H]2CC[NH2+]C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420188023 433118303 /nfs/dbraw/zinc/11/83/03/433118303.db2.gz MORAKVMJIJXUMV-JTQLQIEISA-N 1 0 317.311 3.334 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCSC1 ZINC000290926173 433207359 /nfs/dbraw/zinc/20/73/59/433207359.db2.gz RGNWRTZVTDTCRC-VIFPVBQESA-N 1 0 307.202 3.497 20 5 DGBDRO CCC[NH+]1CCC(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447515028 433209245 /nfs/dbraw/zinc/20/92/45/433209245.db2.gz JBKYOXVMTFYSKF-SFHVURJKSA-N 1 0 317.433 3.436 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000336698038 433177151 /nfs/dbraw/zinc/17/71/51/433177151.db2.gz CIZIOWXSEHEPRL-CQSZACIVSA-N 1 0 314.389 3.231 20 5 DGBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000290847579 433187044 /nfs/dbraw/zinc/18/70/44/433187044.db2.gz IUXIRDYBFUBMFS-CQSZACIVSA-N 1 0 312.797 3.135 20 5 DGBDRO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCC1 ZINC000361483069 433201560 /nfs/dbraw/zinc/20/15/60/433201560.db2.gz BXGSTSCFHBLMAU-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000447546468 433220693 /nfs/dbraw/zinc/22/06/93/433220693.db2.gz WBZVJYBEEINEKY-MRRJBJDNSA-N 1 0 303.406 3.045 20 5 DGBDRO CC(C)C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425402182 433223502 /nfs/dbraw/zinc/22/35/02/433223502.db2.gz RCEZUDNPYQAXJS-UHFFFAOYSA-N 1 0 301.184 3.445 20 5 DGBDRO Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000453595123 433224005 /nfs/dbraw/zinc/22/40/05/433224005.db2.gz DJGLGBVHWJAQLN-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000453598258 433224154 /nfs/dbraw/zinc/22/41/54/433224154.db2.gz OIZWZSPNKYKRNZ-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000280948943 433236517 /nfs/dbraw/zinc/23/65/17/433236517.db2.gz JJLKYTXSHKPTHB-DOMZBBRYSA-N 1 0 300.362 3.093 20 5 DGBDRO CC(C)[C@@H](C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298780306 433243322 /nfs/dbraw/zinc/24/33/22/433243322.db2.gz XIELBYCVXOAGCY-LLVKDONJSA-N 1 0 304.350 3.121 20 5 DGBDRO CO[C@H](C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000425466643 433253747 /nfs/dbraw/zinc/25/37/47/433253747.db2.gz BDOCTYBLOWPMGH-DOTOQJQBSA-N 1 0 304.390 3.199 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1C ZINC000413216670 433267658 /nfs/dbraw/zinc/26/76/58/433267658.db2.gz UNGUURAPBANKLH-STQMWFEESA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000448026874 433352115 /nfs/dbraw/zinc/35/21/15/433352115.db2.gz KGHYBPOQJGFRMM-BBRMVZONSA-N 1 0 305.422 3.366 20 5 DGBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339123056 433374308 /nfs/dbraw/zinc/37/43/08/433374308.db2.gz FLMHKDSWGNYMGK-NOZJJQNGSA-N 1 0 318.295 3.271 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000342038520 433428407 /nfs/dbraw/zinc/42/84/07/433428407.db2.gz JHSHEFXRHBQKKY-STQMWFEESA-N 1 0 305.378 3.023 20 5 DGBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339192607 433429645 /nfs/dbraw/zinc/42/96/45/433429645.db2.gz GTBYHDKTYRZPKL-UFBFGSQYSA-N 1 0 320.336 3.455 20 5 DGBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccsc1 ZINC000421018792 433390784 /nfs/dbraw/zinc/39/07/84/433390784.db2.gz XADNNUQICFUEQC-LBPRGKRZSA-N 1 0 308.407 3.324 20 5 DGBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000425971561 433390917 /nfs/dbraw/zinc/39/09/17/433390917.db2.gz QKVGBIIYKSNRSV-GXTWGEPZSA-N 1 0 316.357 3.058 20 5 DGBDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000421022528 433393046 /nfs/dbraw/zinc/39/30/46/433393046.db2.gz QMSRLTMBNRFUSQ-INIZCTEOSA-N 1 0 314.389 3.059 20 5 DGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301084220 433406709 /nfs/dbraw/zinc/40/67/09/433406709.db2.gz JIDXNPUGYNAFRG-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO CC(=O)c1ccc(N[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000301111571 433416578 /nfs/dbraw/zinc/41/65/78/433416578.db2.gz YZIYCTHEQCJKCD-GFCCVEGCSA-N 1 0 305.378 3.084 20 5 DGBDRO CC(=O)c1ccc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301121048 433422158 /nfs/dbraw/zinc/42/21/58/433422158.db2.gz YANNCHFDJNNUJU-STQMWFEESA-N 1 0 319.405 3.330 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[NH+]1CCC(C)CC1 ZINC000301172395 433442202 /nfs/dbraw/zinc/44/22/02/433442202.db2.gz DXWCSPIQINSWNW-UHFFFAOYSA-N 1 0 306.410 3.222 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301248417 433466481 /nfs/dbraw/zinc/46/64/81/433466481.db2.gz AGOJLLWKMPJJSK-WDEREUQCSA-N 1 0 312.801 3.176 20 5 DGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301248415 433469726 /nfs/dbraw/zinc/46/97/26/433469726.db2.gz AGOJLLWKMPJJSK-MNOVXSKESA-N 1 0 312.801 3.176 20 5 DGBDRO Cc1ccnc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301276684 433483720 /nfs/dbraw/zinc/48/37/20/433483720.db2.gz IZHSCYZIGCUSRY-SGMGOOAPSA-N 1 0 306.410 3.077 20 5 DGBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCSCC1 ZINC000355183738 433515563 /nfs/dbraw/zinc/51/55/63/433515563.db2.gz WCWSZTKXWKUTSS-JTQLQIEISA-N 1 0 320.418 3.092 20 5 DGBDRO Cn1cc(C[N@H+](C)[C@@H]2CC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000426551059 433527914 /nfs/dbraw/zinc/52/79/14/433527914.db2.gz DVIZCJWCJLSHME-OAHLLOKOSA-N 1 0 314.389 3.226 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cccc1[N+](=O)[O-] ZINC000414304870 433528354 /nfs/dbraw/zinc/52/83/54/433528354.db2.gz RKEYQIRYEXUXBC-QKCSRTOESA-N 1 0 314.332 3.103 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCC1(O)CCC1 ZINC000421389944 433531629 /nfs/dbraw/zinc/53/16/29/433531629.db2.gz RWDQZYSBYOFVRH-AWEZNQCLSA-N 1 0 306.406 3.201 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCC[C@H]2F)n1 ZINC000414316185 433537000 /nfs/dbraw/zinc/53/70/00/433537000.db2.gz UBPIDGALQUXIJG-YIYPIFLZSA-N 1 0 310.373 3.145 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC1(O)CCC1 ZINC000421391431 433538237 /nfs/dbraw/zinc/53/82/37/433538237.db2.gz UJTKOBPGUKPYFF-KAMYIIQDSA-N 1 0 304.390 3.283 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000414318624 433539187 /nfs/dbraw/zinc/53/91/87/433539187.db2.gz YAYHZPZEBGPISG-SWLSCSKDSA-N 1 0 318.348 3.161 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000301281420 433486300 /nfs/dbraw/zinc/48/63/00/433486300.db2.gz OLVGPPTUOROFAN-NSHDSACASA-N 1 0 312.801 3.320 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000414254883 433487657 /nfs/dbraw/zinc/48/76/57/433487657.db2.gz BRVQDULUYLUNNZ-COMQUAJESA-N 1 0 322.405 3.458 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426453174 433501565 /nfs/dbraw/zinc/50/15/65/433501565.db2.gz CZTHZTYIVPXWFN-XJKSGUPXSA-N 1 0 317.389 3.106 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2nccc(C)c2[N+](=O)[O-])c1 ZINC000301309791 433503492 /nfs/dbraw/zinc/50/34/92/433503492.db2.gz YDAAAPKHMUREJJ-UHFFFAOYSA-N 1 0 314.389 3.362 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000339398044 433559647 /nfs/dbraw/zinc/55/96/47/433559647.db2.gz UMNFDKMASUSMLX-GFCCVEGCSA-N 1 0 324.768 3.268 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301602328 433635325 /nfs/dbraw/zinc/63/53/25/433635325.db2.gz WFBYGZVKFXQMJD-ZIAGYGMSSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000163497000 292868180 /nfs/dbraw/zinc/86/81/80/292868180.db2.gz MARDWPNBFMLKAL-ZBFHGGJFSA-N 1 0 322.405 3.140 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000165302203 292878629 /nfs/dbraw/zinc/87/86/29/292878629.db2.gz MLBCKPXSZKHDMQ-DZGCQCFKSA-N 1 0 305.422 3.286 20 5 DGBDRO Cc1nc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301663602 433660548 /nfs/dbraw/zinc/66/05/48/433660548.db2.gz VNTNRZPGJRQDIB-JHJVBQTASA-N 1 0 306.410 3.077 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CCCC2(C)C)c([N+](=O)[O-])cc1O ZINC000339574324 433662308 /nfs/dbraw/zinc/66/23/08/433662308.db2.gz HTDSELKYJXDDFP-LBPRGKRZSA-N 1 0 308.378 3.225 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000362384910 433675330 /nfs/dbraw/zinc/67/53/30/433675330.db2.gz OCPUEZQBJACQQQ-HNNXBMFYSA-N 1 0 310.419 3.047 20 5 DGBDRO COCC1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000414510144 433676039 /nfs/dbraw/zinc/67/60/39/433676039.db2.gz HEGTYOYZCPARAY-XQRVVYSFSA-N 1 0 304.390 3.403 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)OCC1CC1 ZINC000414512850 433677757 /nfs/dbraw/zinc/67/77/57/433677757.db2.gz DSGMZMVVRUZZSW-UHFFFAOYSA-N 1 0 322.405 3.288 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](C4CC4)C3)co2)cc1 ZINC000367046140 293016401 /nfs/dbraw/zinc/01/64/01/293016401.db2.gz SYQXBQBOMAEYAW-CQSZACIVSA-N 1 0 313.357 3.482 20 5 DGBDRO CC(C)[C@@H]1[N@H+](Cc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414532669 433697609 /nfs/dbraw/zinc/69/76/09/433697609.db2.gz STVBQESKVDFCOI-INIZCTEOSA-N 1 0 304.390 3.232 20 5 DGBDRO CC(C)[C@H]1[N@H+](Cc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414532671 433698095 /nfs/dbraw/zinc/69/80/95/433698095.db2.gz STVBQESKVDFCOI-MRXNPFEDSA-N 1 0 304.390 3.232 20 5 DGBDRO Cc1ccc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000367467766 293076686 /nfs/dbraw/zinc/07/66/86/293076686.db2.gz VPVGINLIYCGLSW-HNNXBMFYSA-N 1 0 314.389 3.016 20 5 DGBDRO COc1cc(C[N@@H+]2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000414530035 433695998 /nfs/dbraw/zinc/69/59/98/433695998.db2.gz WNSFJJHTVVHVIL-LLVKDONJSA-N 1 0 308.378 3.232 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1CN1CCCCC[C@H]1c1ccco1 ZINC000370045993 293151830 /nfs/dbraw/zinc/15/18/30/293151830.db2.gz PAZRBGHULLGOSW-LBPRGKRZSA-N 1 0 304.350 3.039 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1CN1CCCCC[C@@H]1c1ccco1 ZINC000370045992 293151860 /nfs/dbraw/zinc/15/18/60/293151860.db2.gz PAZRBGHULLGOSW-GFCCVEGCSA-N 1 0 304.350 3.039 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283297881 433706228 /nfs/dbraw/zinc/70/62/28/433706228.db2.gz NAYDAXXOGHHDRG-BETUJISGSA-N 1 0 305.378 3.186 20 5 DGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301748826 433709241 /nfs/dbraw/zinc/70/92/41/433709241.db2.gz SPBHTQMSGCAZET-MNOVXSKESA-N 1 0 312.801 3.176 20 5 DGBDRO Cc1cc(NC[C@H]2CCCC[N@H+]2CC(C)C)ncc1[N+](=O)[O-] ZINC000301782760 433721272 /nfs/dbraw/zinc/72/12/72/433721272.db2.gz KDDRFUUQWMSRJJ-CQSZACIVSA-N 1 0 306.410 3.221 20 5 DGBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000339725682 433746386 /nfs/dbraw/zinc/74/63/86/433746386.db2.gz FCQAVROHZLJQAX-CQSZACIVSA-N 1 0 312.797 3.135 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)C2(OC)CCCC2)cc1[N+](=O)[O-] ZINC000421825148 433750005 /nfs/dbraw/zinc/75/00/05/433750005.db2.gz LWABRUFJYNZHQE-GFCCVEGCSA-N 1 0 308.378 3.041 20 5 DGBDRO COC1([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000421864128 433783226 /nfs/dbraw/zinc/78/32/26/433783226.db2.gz LGSVNRSPCVIWJD-ZIAGYGMSSA-N 1 0 322.405 3.138 20 5 DGBDRO CCOC(=O)C1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000351915881 433789762 /nfs/dbraw/zinc/78/97/62/433789762.db2.gz SFRXUDZMZLLHCB-UHFFFAOYSA-N 1 0 320.389 3.151 20 5 DGBDRO COc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000301911352 433793014 /nfs/dbraw/zinc/79/30/14/433793014.db2.gz CJIQHOOALXYQTR-SNVBAGLBSA-N 1 0 313.373 3.131 20 5 DGBDRO CC(C)(C[NH+]1CCCC1)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000449779077 433794285 /nfs/dbraw/zinc/79/42/85/433794285.db2.gz XGDPYRKDYCYISX-VQHVLOKHSA-N 1 0 303.406 3.072 20 5 DGBDRO COc1cccc([C@@H](CNc2sccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000301934351 433798419 /nfs/dbraw/zinc/79/84/19/433798419.db2.gz OHNOQJKECYAHPD-CQSZACIVSA-N 1 0 321.402 3.380 20 5 DGBDRO Cc1ccccc1[C@H]([C@H](C)Nc1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000343806171 433828899 /nfs/dbraw/zinc/82/88/99/433828899.db2.gz JWJSGPHIHQXCAM-BBRMVZONSA-N 1 0 314.389 3.402 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@]2(C)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433120746 433840885 /nfs/dbraw/zinc/84/08/85/433840885.db2.gz OWJNFAQYJMPGSV-WBVHZDCISA-N 1 0 304.390 3.333 20 5 DGBDRO CN(C)[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433160614 433842909 /nfs/dbraw/zinc/84/29/09/433842909.db2.gz WAZJJIJEXFBMQD-SJORKVTESA-N 1 0 317.433 3.247 20 5 DGBDRO C[C@@H]([NH2+]CCSC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284208146 433861503 /nfs/dbraw/zinc/86/15/03/433861503.db2.gz SMCNPZCDVBMICT-SSDOTTSWSA-N 1 0 309.313 3.081 20 5 DGBDRO CCCC[NH+]1CCC(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284228037 433863103 /nfs/dbraw/zinc/86/31/03/433863103.db2.gz UMADDMCKWOHHMO-CYBMUJFWSA-N 1 0 320.437 3.092 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCC2(O)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000284526917 433898901 /nfs/dbraw/zinc/89/89/01/433898901.db2.gz ZPPNEIQELGKQNF-OAHLLOKOSA-N 1 0 304.390 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](C4CC4)C3)nc2c1 ZINC000377525317 433900659 /nfs/dbraw/zinc/90/06/59/433900659.db2.gz OSWYTCDCIVPYAL-GFCCVEGCSA-N 1 0 301.346 3.358 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000377524845 433902824 /nfs/dbraw/zinc/90/28/24/433902824.db2.gz OTJDASLQXDAHGA-AWEZNQCLSA-N 1 0 317.389 3.045 20 5 DGBDRO COc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000436253186 433915241 /nfs/dbraw/zinc/91/52/41/433915241.db2.gz LBNZZJJLCFPFCB-UHFFFAOYSA-N 1 0 315.373 3.111 20 5 DGBDRO Cc1c(C[N@H+](CCCO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000362939641 433918394 /nfs/dbraw/zinc/91/83/94/433918394.db2.gz CVKBYFVDKKCHGU-UHFFFAOYSA-N 1 0 314.385 3.288 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000302862345 433887681 /nfs/dbraw/zinc/88/76/81/433887681.db2.gz CXOXXKORAGIUAA-AWEZNQCLSA-N 1 0 315.348 3.420 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293840726 433891984 /nfs/dbraw/zinc/89/19/84/433891984.db2.gz SWFMGHQLSYMVOP-GFCCVEGCSA-N 1 0 314.389 3.094 20 5 DGBDRO CCC[NH2+]CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414865483 433892365 /nfs/dbraw/zinc/89/23/65/433892365.db2.gz FPRADOCKLWTJTP-UHFFFAOYSA-N 1 0 319.430 3.413 20 5 DGBDRO C[N@H+](CCCC1CCOCC1)CCc1ccccc1[N+](=O)[O-] ZINC000285456748 433953980 /nfs/dbraw/zinc/95/39/80/433953980.db2.gz YZMXNAWGRJUYEH-UHFFFAOYSA-N 1 0 306.406 3.276 20 5 DGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285605525 434014296 /nfs/dbraw/zinc/01/42/96/434014296.db2.gz PTYLFZSNSLVNEI-OCCSQVGLSA-N 1 0 323.824 3.307 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000352298623 434030280 /nfs/dbraw/zinc/03/02/80/434030280.db2.gz ZOCPRQXFYIMQJQ-RKVPGOIHSA-N 1 0 317.433 3.432 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000363385326 434036269 /nfs/dbraw/zinc/03/62/69/434036269.db2.gz XMLBNBSBPDIBNU-MRXNPFEDSA-N 1 0 317.389 3.106 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000412991811 293881654 /nfs/dbraw/zinc/88/16/54/293881654.db2.gz KSKFDPVFBBZKLY-UHFFFAOYSA-N 1 0 314.389 3.134 20 5 DGBDRO CC[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])[NH+]1CCCC1 ZINC000450258596 434063368 /nfs/dbraw/zinc/06/33/68/434063368.db2.gz RRDHAWNOCWRBHY-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450279600 434077737 /nfs/dbraw/zinc/07/77/37/434077737.db2.gz XYGONLAXLRRPKG-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450303076 434093574 /nfs/dbraw/zinc/09/35/74/434093574.db2.gz INDVWUPGHKDGMI-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000353408162 434113480 /nfs/dbraw/zinc/11/34/80/434113480.db2.gz YZQFIGBFHUHNFN-BQLWYNFJSA-N 1 0 315.417 3.168 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000502832158 294176839 /nfs/dbraw/zinc/17/68/39/294176839.db2.gz GIYKSLQQNDEEAZ-STQMWFEESA-N 1 0 305.378 3.010 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000502853528 294177238 /nfs/dbraw/zinc/17/72/38/294177238.db2.gz AMYVLULKLITQRM-TZMCWYRMSA-N 1 0 305.378 3.010 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCOC ZINC000504899848 294224081 /nfs/dbraw/zinc/22/40/81/294224081.db2.gz NKOIUHDWNZMHMP-CHWSQXEVSA-N 1 0 312.435 3.480 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCOC1 ZINC000504918307 294224238 /nfs/dbraw/zinc/22/42/38/294224238.db2.gz GGVSIDOANKOJMG-CZUORRHYSA-N 1 0 324.446 3.482 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)OC ZINC000504925492 294224884 /nfs/dbraw/zinc/22/48/84/294224884.db2.gz CNLHYBFUQFMDRN-GFCCVEGCSA-N 1 0 312.435 3.480 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000507527705 294303147 /nfs/dbraw/zinc/30/31/47/294303147.db2.gz MWIHVJPWODKICN-GDBMZVCRSA-N 1 0 306.406 3.322 20 5 DGBDRO C[N@H+](CCC1CCCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000507607921 294305564 /nfs/dbraw/zinc/30/55/64/294305564.db2.gz KDNGOCBCRMLOBE-UHFFFAOYSA-N 1 0 319.405 3.436 20 5 DGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000510488774 294384574 /nfs/dbraw/zinc/38/45/74/294384574.db2.gz LNPQFHQFMNQCEO-OAHLLOKOSA-N 1 0 301.390 3.073 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)cccc1[N+](=O)[O-] ZINC000340452711 434138393 /nfs/dbraw/zinc/13/83/93/434138393.db2.gz UNAJEKWIYJUKJD-NEPJUHHUSA-N 1 0 301.346 3.416 20 5 DGBDRO CC(C)c1ccc(CN2CC[N@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000353450618 434142488 /nfs/dbraw/zinc/14/24/88/434142488.db2.gz UREJQLOTQHNSMN-AWEZNQCLSA-N 1 0 305.422 3.244 20 5 DGBDRO Cc1ccc(C[NH+]2CCC(OCC3CC3)CC2)cc1[N+](=O)[O-] ZINC000378338465 434145268 /nfs/dbraw/zinc/14/52/68/434145268.db2.gz CPVFOFAPOFVGJO-UHFFFAOYSA-N 1 0 304.390 3.294 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000357772826 434173165 /nfs/dbraw/zinc/17/31/65/434173165.db2.gz DAMZGUJUOUBSKY-JTQLQIEISA-N 1 0 323.422 3.132 20 5 DGBDRO Cc1cc(NC[C@@H](O)C2CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000316261451 434185789 /nfs/dbraw/zinc/18/57/89/434185789.db2.gz IBUZVVXMGNVKIS-MRXNPFEDSA-N 1 0 301.346 3.024 20 5 DGBDRO CCOc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000316239216 434185998 /nfs/dbraw/zinc/18/59/98/434185998.db2.gz PXAAWZNCFOANDY-ZDUSSCGKSA-N 1 0 307.394 3.136 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000295087647 434190576 /nfs/dbraw/zinc/19/05/76/434190576.db2.gz RDZLSIYUPUVLBJ-MRXNPFEDSA-N 1 0 320.776 3.414 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000437043010 434207600 /nfs/dbraw/zinc/20/76/00/434207600.db2.gz IWEYIZPHKHMWSG-YRGRVCCFSA-N 1 0 305.378 3.090 20 5 DGBDRO CCOc1cc(NCC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000318014558 434207656 /nfs/dbraw/zinc/20/76/56/434207656.db2.gz BQMWNTODEQAYJY-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000286357483 434242872 /nfs/dbraw/zinc/24/28/72/434242872.db2.gz WXGNTCJHSKIWJP-WFASDCNBSA-N 1 0 319.380 3.187 20 5 DGBDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000357917428 434247379 /nfs/dbraw/zinc/24/73/79/434247379.db2.gz RIORKHIZVZAYRA-CQSZACIVSA-N 1 0 302.378 3.101 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000321396428 434250911 /nfs/dbraw/zinc/25/09/11/434250911.db2.gz ROSNBLDLVNKDHZ-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000516076951 294588152 /nfs/dbraw/zinc/58/81/52/294588152.db2.gz URQGPKWOKPMHIU-CYBMUJFWSA-N 1 0 321.421 3.160 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000340602215 434238163 /nfs/dbraw/zinc/23/81/63/434238163.db2.gz CWYCALKRKQOFHE-ZDUSSCGKSA-N 1 0 320.311 3.121 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000437524043 434278751 /nfs/dbraw/zinc/27/87/51/434278751.db2.gz DIARMBRKVPHWLW-HOTGVXAUSA-N 1 0 322.430 3.334 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000437544412 434285819 /nfs/dbraw/zinc/28/58/19/434285819.db2.gz ZLHNGSUKHBJZOF-HOCLYGCPSA-N 1 0 322.430 3.334 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000437544604 434288047 /nfs/dbraw/zinc/28/80/47/434288047.db2.gz IJRCZDGTAGJMCY-CVEARBPZSA-N 1 0 322.430 3.334 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](NC[C@H]2CCC[NH2+]2)c2ccccc2)c1 ZINC000423238202 434306945 /nfs/dbraw/zinc/30/69/45/434306945.db2.gz QVSBFINHDHLKEQ-SJLPKXTDSA-N 1 0 311.385 3.026 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000517285220 294667768 /nfs/dbraw/zinc/66/77/68/294667768.db2.gz PEVVOPUDZBNYHF-RISCZKNCSA-N 1 0 307.394 3.336 20 5 DGBDRO CN1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417342086 434361573 /nfs/dbraw/zinc/36/15/73/434361573.db2.gz OUJMEYGYRPPNPI-NVXWUHKLSA-N 1 0 303.406 3.046 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348521189 434371595 /nfs/dbraw/zinc/37/15/95/434371595.db2.gz OBDMPDMJIKTYSW-PWSUYJOCSA-N 1 0 320.723 3.498 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000295471620 434377853 /nfs/dbraw/zinc/37/78/53/434377853.db2.gz ISUFCYFOMAZASC-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCn1cnc2ccccc21 ZINC000518397324 294718061 /nfs/dbraw/zinc/71/80/61/294718061.db2.gz NPZJTDGHACHNIY-HNNXBMFYSA-N 1 0 322.368 3.222 20 5 DGBDRO C[C@@H](C[NH3+])N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423366406 434384015 /nfs/dbraw/zinc/38/40/15/434384015.db2.gz LHCBLRXJSJRABD-QWRGUYRKSA-N 1 0 305.403 3.321 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000287335484 434335582 /nfs/dbraw/zinc/33/55/82/434335582.db2.gz GCGPLRCTCNSBNI-IPYPFGDCSA-N 1 0 322.405 3.317 20 5 DGBDRO CCc1ccc([C@H](NCC(C)(C)[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423283516 434339204 /nfs/dbraw/zinc/33/92/04/434339204.db2.gz FLMOBTSXFNCLLQ-MRXNPFEDSA-N 1 0 317.389 3.167 20 5 DGBDRO CCCC[C@@H](CN)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423298114 434348000 /nfs/dbraw/zinc/34/80/00/434348000.db2.gz NEWAPAGMFHICLP-HOTGVXAUSA-N 1 0 305.422 3.023 20 5 DGBDRO CCCC[C@H](CN)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423296309 434348093 /nfs/dbraw/zinc/34/80/93/434348093.db2.gz GOJIDNSICPAVLL-USXIJHARSA-N 1 0 319.449 3.413 20 5 DGBDRO C[C@@]1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000417309941 434349948 /nfs/dbraw/zinc/34/99/48/434349948.db2.gz JJUZIMLBOYXIPY-SJORKVTESA-N 1 0 304.390 3.379 20 5 DGBDRO Cc1n[nH]cc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312807 434351548 /nfs/dbraw/zinc/35/15/48/434351548.db2.gz TZDPYPLCEPVPDP-INIZCTEOSA-N 1 0 300.362 3.184 20 5 DGBDRO CC(C)[C@@H](O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303494 434351702 /nfs/dbraw/zinc/35/17/02/434351702.db2.gz DKFNXTOUZQNRGT-SJORKVTESA-N 1 0 306.406 3.359 20 5 DGBDRO CC(C)[C@@](C)(O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312431 434352202 /nfs/dbraw/zinc/35/22/02/434352202.db2.gz NRKYDZAHTYWWMJ-SJORKVTESA-N 1 0 306.406 3.359 20 5 DGBDRO Cc1cc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n(C)n1 ZINC000417338562 434359585 /nfs/dbraw/zinc/35/95/85/434359585.db2.gz ZCMSHIJLQNTULC-QGZVFWFLSA-N 1 0 314.389 3.194 20 5 DGBDRO Cc1ccn2c(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cnc2c1 ZINC000348678609 434444946 /nfs/dbraw/zinc/44/49/46/434444946.db2.gz XGZQKKIFYREBLD-UHFFFAOYSA-N 1 0 324.384 3.225 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423427195 434420595 /nfs/dbraw/zinc/42/05/95/434420595.db2.gz NMWUAQKYNAMBGY-FZKQIMNGSA-N 1 0 311.385 3.132 20 5 DGBDRO CC[C@H]1C[N@H+](CC)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000450830255 434427803 /nfs/dbraw/zinc/42/78/03/434427803.db2.gz NPWNQJINDONEQV-AWEZNQCLSA-N 1 0 314.389 3.064 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450852937 434439883 /nfs/dbraw/zinc/43/98/83/434439883.db2.gz ANIKWHXBXHECHS-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO C[NH+](C)C1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000397782877 434441596 /nfs/dbraw/zinc/44/15/96/434441596.db2.gz DYJFIUOKJFJUFE-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000366651112 434477145 /nfs/dbraw/zinc/47/71/45/434477145.db2.gz HJKWSXPITGAAIA-DGCLKSJQSA-N 1 0 310.781 3.107 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000366701534 434489445 /nfs/dbraw/zinc/48/94/45/434489445.db2.gz ZEXZJMBHJHBSIT-SCLBCKFNSA-N 1 0 311.385 3.432 20 5 DGBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc2ccccc21 ZINC000341059662 434519717 /nfs/dbraw/zinc/51/97/17/434519717.db2.gz MBQKVYCVVSCPRG-GFCCVEGCSA-N 1 0 310.357 3.332 20 5 DGBDRO CO[C@H](C)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000348840000 434520887 /nfs/dbraw/zinc/52/08/87/434520887.db2.gz YXDZFTVKFXJJTE-GFCCVEGCSA-N 1 0 304.346 3.322 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000348882629 434540882 /nfs/dbraw/zinc/54/08/82/434540882.db2.gz ZBRPSQZOKPERTA-KTLBGCOUSA-N 1 0 312.316 3.169 20 5 DGBDRO [NH3+]CCN(Cc1ccc(F)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000348892925 434546942 /nfs/dbraw/zinc/54/69/42/434546942.db2.gz JZQDFXSGUTWUEV-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000360211525 434547923 /nfs/dbraw/zinc/54/79/23/434547923.db2.gz DTJRJLFOPHIWPC-NWDGAFQWSA-N 1 0 311.813 3.163 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525411648 295015016 /nfs/dbraw/zinc/01/50/16/295015016.db2.gz WIECUBBKGQVXFY-JKSUJKDBSA-N 1 0 322.405 3.109 20 5 DGBDRO COC(=O)C(C)(C)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000526969664 295066037 /nfs/dbraw/zinc/06/60/37/295066037.db2.gz JZNHXSNPDOKACD-UHFFFAOYSA-N 1 0 322.405 3.395 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000360338131 434581915 /nfs/dbraw/zinc/58/19/15/434581915.db2.gz OYQDRDLOAQEHPP-DVZHBHJUSA-N 1 0 319.405 3.336 20 5 DGBDRO COc1ccc(C[NH+]2CCC(OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000418096183 434585778 /nfs/dbraw/zinc/58/57/78/434585778.db2.gz UZLVRWXGWIVGAQ-UHFFFAOYSA-N 1 0 320.389 3.137 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000418100704 434586247 /nfs/dbraw/zinc/58/62/47/434586247.db2.gz PEJHOZRMIJATMB-CYBMUJFWSA-N 1 0 300.786 3.399 20 5 DGBDRO C[C@]1(CCCO)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000349153079 434620297 /nfs/dbraw/zinc/62/02/97/434620297.db2.gz REHVEUKTAMMFAK-IOMDMTNGSA-N 1 0 304.390 3.235 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H](C)C1 ZINC000360621605 434652944 /nfs/dbraw/zinc/65/29/44/434652944.db2.gz TZHYWJRXHNABSG-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000424189781 434653966 /nfs/dbraw/zinc/65/39/66/434653966.db2.gz NVQIDTFDMWZEFT-UHFFFAOYSA-N 1 0 322.405 3.442 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H]2C2CCC2)n1 ZINC000424288807 434677436 /nfs/dbraw/zinc/67/74/36/434677436.db2.gz JJQIVEVLXMUNJN-YHUYYLMFSA-N 1 0 318.421 3.301 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000459733536 434682491 /nfs/dbraw/zinc/68/24/91/434682491.db2.gz GPXUKXUKARHJBB-HZPDHXFCSA-N 1 0 320.389 3.041 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(C3CCCC3)cc2)c1 ZINC000360966274 434747824 /nfs/dbraw/zinc/74/78/24/434747824.db2.gz NDMWGYQCOVQPMO-UHFFFAOYSA-N 1 0 314.389 3.239 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@H]1C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411232826 434749570 /nfs/dbraw/zinc/74/95/70/434749570.db2.gz TVYPOBXMVLCQIG-INIZCTEOSA-N 1 0 317.389 3.188 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000371444001 434703812 /nfs/dbraw/zinc/70/38/12/434703812.db2.gz VEFYVLHATJEZOW-UHFFFAOYSA-N 1 0 311.385 3.445 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459775669 434717344 /nfs/dbraw/zinc/71/73/44/434717344.db2.gz JXOFZXILPTYGBF-IVMMDQJWSA-N 1 0 317.389 3.010 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000360883366 434719759 /nfs/dbraw/zinc/71/97/59/434719759.db2.gz NKRLPHMXXCWRPQ-CQSZACIVSA-N 1 0 314.389 3.231 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459792534 434722029 /nfs/dbraw/zinc/72/20/29/434722029.db2.gz SGWLYYHSSMQSKS-IAOVAPTHSA-N 1 0 318.417 3.463 20 5 DGBDRO Cc1nn(CC[N@@H+](C)Cc2ccccc2)c2ccc([N+](=O)[O-])cc12 ZINC000418916515 434728082 /nfs/dbraw/zinc/72/80/82/434728082.db2.gz SFRMGWRVPXGZJX-UHFFFAOYSA-N 1 0 324.384 3.385 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(OCC[N@@H+](C)Cc2ccccc2)n1 ZINC000418931911 434730176 /nfs/dbraw/zinc/73/01/76/434730176.db2.gz FJQFZLFCWONKMZ-UHFFFAOYSA-N 1 0 315.373 3.117 20 5 DGBDRO CC(C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000411378548 434770500 /nfs/dbraw/zinc/77/05/00/434770500.db2.gz ARNOLUCQKLWYRF-UHFFFAOYSA-N 1 0 305.378 3.186 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411283910 434756014 /nfs/dbraw/zinc/75/60/14/434756014.db2.gz XBMZOUJADLXJSV-BETUJISGSA-N 1 0 305.378 3.186 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000411306481 434756954 /nfs/dbraw/zinc/75/69/54/434756954.db2.gz GEAWZQCGFUJODQ-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000361056017 434780647 /nfs/dbraw/zinc/78/06/47/434780647.db2.gz GRCINLJDPFHUGT-CQSZACIVSA-N 1 0 323.441 3.042 20 5 DGBDRO C[C@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411630473 434811443 /nfs/dbraw/zinc/81/14/43/434811443.db2.gz IKXBJOTWCQLXGC-WFASDCNBSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1cc(NCC2([NH+](C)C)CCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000445595227 434815074 /nfs/dbraw/zinc/81/50/74/434815074.db2.gz AQJJKCMWIDHDDG-UHFFFAOYSA-N 1 0 314.389 3.348 20 5 DGBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411818538 434831962 /nfs/dbraw/zinc/83/19/62/434831962.db2.gz OWGUGNUTDAIVCZ-CXAGYDPISA-N 1 0 319.405 3.482 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCSC3(CCC3)CC2)c1 ZINC000411867978 434836535 /nfs/dbraw/zinc/83/65/35/434836535.db2.gz KAXBQNQPRGFDTK-UHFFFAOYSA-N 1 0 322.430 3.335 20 5 DGBDRO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000372675563 434846652 /nfs/dbraw/zinc/84/66/52/434846652.db2.gz QBDCGOOAPKLKDM-ZDUSSCGKSA-N 1 0 314.389 3.021 20 5 DGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412043318 434860716 /nfs/dbraw/zinc/86/07/16/434860716.db2.gz NMLSTNKQUKJTKJ-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H](CC)[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000491805057 434865745 /nfs/dbraw/zinc/86/57/45/434865745.db2.gz FTWKXHOSNFBKTD-DZGCQCFKSA-N 1 0 308.378 3.041 20 5 DGBDRO COC1(C)CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000463033254 434941382 /nfs/dbraw/zinc/94/13/82/434941382.db2.gz KTBOYBJDQOTHCW-KAMYIIQDSA-N 1 0 304.390 3.499 20 5 DGBDRO Cc1c(C[N@H+](C)CCCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000523439337 434947808 /nfs/dbraw/zinc/94/78/08/434947808.db2.gz UTEJPVKLTINGRL-UHFFFAOYSA-N 1 0 322.405 3.457 20 5 DGBDRO Cc1cccc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000555167275 434963689 /nfs/dbraw/zinc/96/36/89/434963689.db2.gz DSGOVCVANCWGRS-OAHLLOKOSA-N 1 0 303.406 3.071 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1C ZINC000462888868 434934852 /nfs/dbraw/zinc/93/48/52/434934852.db2.gz HUVQBYABXWACND-KOLCDFICSA-N 1 0 315.320 3.091 20 5 DGBDRO COC1([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000574680459 434996677 /nfs/dbraw/zinc/99/66/77/434996677.db2.gz RDOXCVPVYPWNSW-KGLIPLIRSA-N 1 0 322.405 3.138 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000574705061 434998900 /nfs/dbraw/zinc/99/89/00/434998900.db2.gz UMCZTDOXEWJKTR-OAHLLOKOSA-N 1 0 305.422 3.113 20 5 DGBDRO CCC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000466463729 435077477 /nfs/dbraw/zinc/07/74/77/435077477.db2.gz GXWHZGRWXHHJHH-AWEZNQCLSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCCCCC1 ZINC000532198627 435147699 /nfs/dbraw/zinc/14/76/99/435147699.db2.gz HDLDKXXKUSXTLY-OAHLLOKOSA-N 1 0 305.422 3.430 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000578567581 435092605 /nfs/dbraw/zinc/09/26/05/435092605.db2.gz JVYNKVMNAKHUSB-GFCCVEGCSA-N 1 0 307.394 3.330 20 5 DGBDRO Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000558573446 435097903 /nfs/dbraw/zinc/09/79/03/435097903.db2.gz XSURAKLTMUBYLI-UHFFFAOYSA-N 1 0 319.386 3.083 20 5 DGBDRO C[C@H](CCC1CC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578642677 435099585 /nfs/dbraw/zinc/09/95/85/435099585.db2.gz XKUPBBINCZTRQK-GFCCVEGCSA-N 1 0 305.378 3.092 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCC[NH+]1CCCC1 ZINC000467516659 435124362 /nfs/dbraw/zinc/12/43/62/435124362.db2.gz NSINSDGOADALAK-SSZFMOIBSA-N 1 0 317.433 3.416 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[NH+]1CCCCC1 ZINC000531945193 435128223 /nfs/dbraw/zinc/12/82/23/435128223.db2.gz HHCFOMYSLBDBMG-OAHLLOKOSA-N 1 0 305.422 3.430 20 5 DGBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000559817033 435138182 /nfs/dbraw/zinc/13/81/82/435138182.db2.gz OHUOKFYKSFSFHS-XJKSGUPXSA-N 1 0 302.330 3.122 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000475358634 435192300 /nfs/dbraw/zinc/19/23/00/435192300.db2.gz QIXKRYLJWNJMDX-VWILAXROSA-N 1 0 304.390 3.235 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000475358635 435193402 /nfs/dbraw/zinc/19/34/02/435193402.db2.gz QIXKRYLJWNJMDX-WKOYGUFESA-N 1 0 304.390 3.235 20 5 DGBDRO Cn1ncc2ccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cc21 ZINC000579978690 435197684 /nfs/dbraw/zinc/19/76/84/435197684.db2.gz ZWZZHHMHGHRSKD-INIZCTEOSA-N 1 0 322.368 3.259 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000532475440 435170375 /nfs/dbraw/zinc/17/03/75/435170375.db2.gz FBDDMKIAJLNKAR-AWEZNQCLSA-N 1 0 317.433 3.428 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000579669289 435172987 /nfs/dbraw/zinc/17/29/87/435172987.db2.gz UFLSGZSYCRHHCB-OFQRWUPVSA-N 1 0 303.406 3.133 20 5 DGBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000478241027 435293135 /nfs/dbraw/zinc/29/31/35/435293135.db2.gz VKIJRKIIKQCUNZ-SWLSCSKDSA-N 1 0 310.369 3.417 20 5 DGBDRO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000478437828 435299805 /nfs/dbraw/zinc/29/98/05/435299805.db2.gz IWUKMKCBZZIKRW-OAHLLOKOSA-N 1 0 322.796 3.432 20 5 DGBDRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000567459440 435320315 /nfs/dbraw/zinc/32/03/15/435320315.db2.gz VVBPHWSSCOFLKM-RSUWNVLCSA-N 1 0 319.405 3.336 20 5 DGBDRO Cc1ccc(CN[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000479601307 435342199 /nfs/dbraw/zinc/34/21/99/435342199.db2.gz HFEIQPJDDITNLN-OAHLLOKOSA-N 1 0 305.422 3.257 20 5 DGBDRO C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514616142 435424234 /nfs/dbraw/zinc/42/42/34/435424234.db2.gz KNQWYAYFQKKGAG-GJZGRUSLSA-N 1 0 305.422 3.366 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000480104805 435366454 /nfs/dbraw/zinc/36/64/54/435366454.db2.gz AYQNHXNBXAMXHL-WCQYABFASA-N 1 0 305.378 3.082 20 5 DGBDRO CN1Cc2ccccc2[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000536021657 435367255 /nfs/dbraw/zinc/36/72/55/435367255.db2.gz DXLRTPKPKBKEPG-HNNXBMFYSA-N 1 0 319.311 3.472 20 5 DGBDRO C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000567906020 435367795 /nfs/dbraw/zinc/36/77/95/435367795.db2.gz ATJSIXUKKURRAQ-GBXSZLQWSA-N 1 0 302.374 3.251 20 5 DGBDRO CC(C)[N@H+](C)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480187374 435369479 /nfs/dbraw/zinc/36/94/79/435369479.db2.gz CDIFINLTWJYIES-QGZVFWFLSA-N 1 0 319.449 3.236 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000536370343 435378143 /nfs/dbraw/zinc/37/81/43/435378143.db2.gz LPVZBFZEDSPJDQ-UHFFFAOYSA-N 1 0 312.373 3.066 20 5 DGBDRO Cc1nc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c(C)o1 ZINC000568410917 435434248 /nfs/dbraw/zinc/43/42/48/435434248.db2.gz BTRRIVIKXKHNDE-HNNXBMFYSA-N 1 0 301.346 3.019 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000483245084 435503196 /nfs/dbraw/zinc/50/31/96/435503196.db2.gz GZHGMRDJXSYFOF-CYBMUJFWSA-N 1 0 319.405 3.291 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCC3CCCCC3)C2)nc1 ZINC000483266344 435506245 /nfs/dbraw/zinc/50/62/45/435506245.db2.gz WBTRDLABKHMVRD-HNNXBMFYSA-N 1 0 318.421 3.446 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000539048879 435536605 /nfs/dbraw/zinc/53/66/05/435536605.db2.gz WRSDLRJKGZMNNW-JSGCOSHPSA-N 1 0 319.405 3.480 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000538128856 435482827 /nfs/dbraw/zinc/48/28/27/435482827.db2.gz IIOHHLOSUJHGRQ-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000569652100 435549382 /nfs/dbraw/zinc/54/93/82/435549382.db2.gz XZCHIVWUTQPWFG-CYBMUJFWSA-N 1 0 307.394 3.352 20 5 DGBDRO CCOc1cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000569647984 435549429 /nfs/dbraw/zinc/54/94/29/435549429.db2.gz TYKKRGHQPVJPKS-RYUDHWBXSA-N 1 0 310.419 3.319 20 5 DGBDRO CC(C)OC(=O)[C@H](C)N(C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000539825941 435573860 /nfs/dbraw/zinc/57/38/60/435573860.db2.gz YSBLMKLCMVCUBK-ZDUSSCGKSA-N 1 0 322.405 3.490 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2COc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC000570107523 435590774 /nfs/dbraw/zinc/59/07/74/435590774.db2.gz NAHFEJJYPCWFNR-OAHLLOKOSA-N 1 0 316.332 3.136 20 5 DGBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803750 435616485 /nfs/dbraw/zinc/61/64/85/435616485.db2.gz SVSPMJSNJRJUBJ-UKRRQHHQSA-N 1 0 319.405 3.434 20 5 DGBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000518139694 435626065 /nfs/dbraw/zinc/62/60/65/435626065.db2.gz UKCFHJWWAOQKDF-OWCLPIDISA-N 1 0 304.390 3.111 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000570985977 435667496 /nfs/dbraw/zinc/66/74/96/435667496.db2.gz WZVRWAFPUBTELB-XJKSGUPXSA-N 1 0 310.353 3.175 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c(F)c1 ZINC000570981094 435668320 /nfs/dbraw/zinc/66/83/20/435668320.db2.gz DYJUBRWVKWDDIV-ZDUSSCGKSA-N 1 0 301.321 3.118 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000571829904 435743881 /nfs/dbraw/zinc/74/38/81/435743881.db2.gz HUMOLYFBCKZIIQ-QLFBSQMISA-N 1 0 306.406 3.353 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548753086 435714609 /nfs/dbraw/zinc/71/46/09/435714609.db2.gz FCWIGASMMDVJLX-IGCXYCKISA-N 1 0 304.390 3.464 20 5 DGBDRO C[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000572969566 435886278 /nfs/dbraw/zinc/88/62/78/435886278.db2.gz ZVYVEPUUPWMNBK-STQMWFEESA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000572969564 435887106 /nfs/dbraw/zinc/88/71/06/435887106.db2.gz ZVYVEPUUPWMNBK-OLZOCXBDSA-N 1 0 305.378 3.092 20 5 DGBDRO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000451974534 301322804 /nfs/dbraw/zinc/32/28/04/301322804.db2.gz SNFRQCHFSZWIGN-INIZCTEOSA-N 1 0 318.352 3.076 20 5 DGBDRO Cc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488734150 301338918 /nfs/dbraw/zinc/33/89/18/301338918.db2.gz MLGOMBMFVHIERH-TYNCELHUSA-N 1 0 321.396 3.209 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172020823 312739327 /nfs/dbraw/zinc/73/93/27/312739327.db2.gz KDQQUXWAHVAURV-OAHLLOKOSA-N 1 0 323.824 3.308 20 5 DGBDRO COC(=O)CCC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000531002019 313424764 /nfs/dbraw/zinc/42/47/64/313424764.db2.gz DIGDVKDUBUKTQO-CYBMUJFWSA-N 1 0 320.389 3.321 20 5 DGBDRO CCOc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000531146864 313435824 /nfs/dbraw/zinc/43/58/24/313435824.db2.gz OHZLQPALOHIFHQ-OAHLLOKOSA-N 1 0 319.405 3.058 20 5 DGBDRO CC(C)CC[NH+](CCC(C)C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534136044 313650737 /nfs/dbraw/zinc/65/07/37/313650737.db2.gz QZTHERWCIBWXII-UHFFFAOYSA-N 1 0 323.437 3.151 20 5 DGBDRO CC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000537312507 313808119 /nfs/dbraw/zinc/80/81/19/313808119.db2.gz XLTTWFMJMIFWSL-GMNBZTITSA-N 1 0 304.390 3.403 20 5 DGBDRO COc1cc(C[NH+]2CCC(C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000538734491 313879950 /nfs/dbraw/zinc/87/99/50/313879950.db2.gz FEIKHRYRGSFAQQ-UHFFFAOYSA-N 1 0 322.405 3.480 20 5 DGBDRO Cc1cc(N[C@@H](C)C[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542102187 314056977 /nfs/dbraw/zinc/05/69/77/314056977.db2.gz IVYXNJLPEFZNIS-SMDDNHRTSA-N 1 0 315.373 3.243 20 5 DGBDRO CCc1ccc([C@@H]([NH2+]CCCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544362872 314187946 /nfs/dbraw/zinc/18/79/46/314187946.db2.gz PQHUSBWLGOGCMR-KRWDZBQOSA-N 1 0 318.373 3.466 20 5 DGBDRO CC(C)([NH2+]Cc1ccc2[nH]cnc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000545164800 314229672 /nfs/dbraw/zinc/22/96/72/314229672.db2.gz VTMXNBUAOYNIKD-UHFFFAOYSA-N 1 0 310.357 3.496 20 5 DGBDRO Cc1cncc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000546645841 314318275 /nfs/dbraw/zinc/31/82/75/314318275.db2.gz JKEPBKVVGDCXBG-ZDUSSCGKSA-N 1 0 301.346 3.028 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000547738737 314390529 /nfs/dbraw/zinc/39/05/29/314390529.db2.gz PRFDHUONWGJPES-IRXDYDNUSA-N 1 0 318.417 3.465 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000548791621 314474775 /nfs/dbraw/zinc/47/47/75/314474775.db2.gz FFBUKKDMJIIWAM-QGZVFWFLSA-N 1 0 318.417 3.466 20 5 DGBDRO CC1(C)SC[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000549237399 314500723 /nfs/dbraw/zinc/50/07/23/314500723.db2.gz OQSDXWAPCSDJIW-DZGCQCFKSA-N 1 0 306.431 3.400 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](COC)C1CC1 ZINC000552579734 314619971 /nfs/dbraw/zinc/61/99/71/314619971.db2.gz HZHMFWKEQMRYOI-KGLIPLIRSA-N 1 0 324.446 3.480 20 5 DGBDRO O=C(CC[NH2+]C1CCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000558573368 314850584 /nfs/dbraw/zinc/85/05/84/314850584.db2.gz JMRAGBVVNGYTAJ-UHFFFAOYSA-N 1 0 305.378 3.236 20 5 DGBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CS1 ZINC000562330110 315010207 /nfs/dbraw/zinc/01/02/07/315010207.db2.gz PZNBWSDXCJTJNY-WFASDCNBSA-N 1 0 324.446 3.483 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCOC[C@H]1C1CCC1 ZINC000563808204 315138966 /nfs/dbraw/zinc/13/89/66/315138966.db2.gz DNMBIBZTIKEVPC-HNNXBMFYSA-N 1 0 310.781 3.249 20 5 DGBDRO C[C@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000564225106 315163742 /nfs/dbraw/zinc/16/37/42/315163742.db2.gz CPUNSEYWJIKLHG-RYQLBKOJSA-N 1 0 316.401 3.377 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000564508157 315180045 /nfs/dbraw/zinc/18/00/45/315180045.db2.gz BJXQWNIUQAHQLH-JQFCIGGWSA-N 1 0 303.406 3.181 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000564593443 315185111 /nfs/dbraw/zinc/18/51/11/315185111.db2.gz LGNKAPCDQYJWFR-VXGBXAGGSA-N 1 0 301.346 3.416 20 5 DGBDRO CC1CC[NH+](CCCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565219412 315243454 /nfs/dbraw/zinc/24/34/54/315243454.db2.gz VDMZKNGOXQVBFU-QGZVFWFLSA-N 1 0 317.433 3.294 20 5 DGBDRO CC[C@@H]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566968607 315386931 /nfs/dbraw/zinc/38/69/31/315386931.db2.gz BEUDCNLBIYBXDT-KGLIPLIRSA-N 1 0 319.405 3.339 20 5 DGBDRO CSc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])ccn1 ZINC000568411107 315510197 /nfs/dbraw/zinc/51/01/97/315510197.db2.gz HSXCHUGCOFWDJE-AWEZNQCLSA-N 1 0 315.398 3.489 20 5 DGBDRO Cc1ncsc1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575329556 316048622 /nfs/dbraw/zinc/04/86/22/316048622.db2.gz KODIDMXEBORZQJ-ZDUSSCGKSA-N 1 0 303.387 3.179 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCN1CCCCCC1 ZINC000576886686 316178963 /nfs/dbraw/zinc/17/89/63/316178963.db2.gz MKCWJYRXURRLTN-MRXNPFEDSA-N 1 0 303.406 3.048 20 5 DGBDRO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000576982869 316188905 /nfs/dbraw/zinc/18/89/05/316188905.db2.gz BXVHQXLGEROUJW-AVGNSLFASA-N 1 0 319.405 3.336 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)C1CC1 ZINC000577733383 316265165 /nfs/dbraw/zinc/26/51/65/316265165.db2.gz KYLGUPKYXKWKPG-KBPBESRZSA-N 1 0 324.446 3.074 20 5 DGBDRO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000180398796 323228296 /nfs/dbraw/zinc/22/82/96/323228296.db2.gz PEGUKAARROTWIA-AWEZNQCLSA-N 1 0 321.421 3.138 20 5 DGBDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180395871 323228473 /nfs/dbraw/zinc/22/84/73/323228473.db2.gz GUIJPZRAMHWQQV-ZDUSSCGKSA-N 1 0 313.357 3.193 20 5 DGBDRO Cc1cccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C(C)(C)C)c1 ZINC000180788016 323238059 /nfs/dbraw/zinc/23/80/59/323238059.db2.gz HLMBKMBQDKCXRI-MRXNPFEDSA-N 1 0 316.405 3.477 20 5 DGBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182632595 323306588 /nfs/dbraw/zinc/30/65/88/323306588.db2.gz MPLPKKLFVWJMQC-SNVBAGLBSA-N 1 0 314.769 3.022 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)C1CCCCC1 ZINC000386080001 323634863 /nfs/dbraw/zinc/63/48/63/323634863.db2.gz DTVBJBSYDPSJJS-CQSZACIVSA-N 1 0 312.797 3.279 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000581079023 324071824 /nfs/dbraw/zinc/07/18/24/324071824.db2.gz BFMJTBFWSAXHDN-UHFFFAOYSA-N 1 0 323.393 3.052 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000581558225 324130536 /nfs/dbraw/zinc/13/05/36/324130536.db2.gz KIUMIFACZXVJSZ-SWLSCSKDSA-N 1 0 302.374 3.273 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000581884929 324164659 /nfs/dbraw/zinc/16/46/59/324164659.db2.gz POOORGBBTLMKOY-CRPZLVSXSA-N 1 0 304.390 3.497 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1COc2ccccc2C1 ZINC000582497289 324238016 /nfs/dbraw/zinc/23/80/16/324238016.db2.gz QTSLBJQXDOKUQQ-XJKSGUPXSA-N 1 0 310.353 3.175 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000583693498 324385787 /nfs/dbraw/zinc/38/57/87/324385787.db2.gz ULIDIULVVNSVGQ-ISQHREMWSA-N 1 0 315.417 3.215 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCC[C@H]1C ZINC000584479705 337348502 /nfs/dbraw/zinc/34/85/02/337348502.db2.gz CYTRLIJYCOBHGU-KEYYUXOJSA-N 1 0 317.433 3.435 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccncn1 ZINC000453156486 500888165 /nfs/dbraw/zinc/88/81/65/500888165.db2.gz WGFDOSOURHCIDH-CYBMUJFWSA-N 1 0 300.362 3.058 20 5 DGBDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330867225 533753078 /nfs/dbraw/zinc/75/30/78/533753078.db2.gz VODYGPABHJSQOQ-AAEUAGOBSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000443317490 533827283 /nfs/dbraw/zinc/82/72/83/533827283.db2.gz XWGDPZBFLPLRTN-HFAKWTLXSA-N 1 0 312.797 3.230 20 5 DGBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000443787780 533824590 /nfs/dbraw/zinc/82/45/90/533824590.db2.gz ILDPVBSSZSBGTK-NYAHMKPPSA-N 1 0 304.390 3.089 20 5 DGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000443507648 534132275 /nfs/dbraw/zinc/13/22/75/534132275.db2.gz GVOWQKPBPFEVPC-DGCLKSJQSA-N 1 0 318.402 3.299 20 5 DGBDRO C[C@H]1[C@@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000309927020 534143555 /nfs/dbraw/zinc/14/35/55/534143555.db2.gz XQALUTNZAQIOQO-ZFWWWQNUSA-N 1 0 312.373 3.065 20 5 DGBDRO Cc1ccnc(NCC2CC[NH+](CCC(C)C)CC2)c1[N+](=O)[O-] ZINC000301528283 534401461 /nfs/dbraw/zinc/40/14/61/534401461.db2.gz ITRMQOKULQKUHE-UHFFFAOYSA-N 1 0 320.437 3.468 20 5 DGBDRO Cc1nc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301669048 534488855 /nfs/dbraw/zinc/48/88/55/534488855.db2.gz YCVPJTJJTPBAKA-BETUJISGSA-N 1 0 306.410 3.078 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000163403823 521168234 /nfs/dbraw/zinc/16/82/34/521168234.db2.gz OLXYDRMSZZWIGL-HCQWSFJTSA-N 1 0 312.435 3.183 20 5 DGBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000154899742 522630946 /nfs/dbraw/zinc/63/09/46/522630946.db2.gz XZONLOUCTKRCLO-ZDUSSCGKSA-N 1 0 319.405 3.057 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccnc21 ZINC000322585928 534882146 /nfs/dbraw/zinc/88/21/46/534882146.db2.gz ITQOFOYGHXCUDL-OLZOCXBDSA-N 1 0 312.373 3.182 20 5 DGBDRO CC1(C)C[C@H](O)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449619927 534898915 /nfs/dbraw/zinc/89/89/15/534898915.db2.gz RIXQVVFGJLEISB-ZQMJAJRESA-N 1 0 304.390 3.091 20 5 DGBDRO CC(=O)c1ccc(N[C@H](C)C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000302489888 527319435 /nfs/dbraw/zinc/31/94/35/527319435.db2.gz ZPSNKEJTNPNTNQ-CYBMUJFWSA-N 1 0 319.405 3.474 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432311125 527841667 /nfs/dbraw/zinc/84/16/67/527841667.db2.gz DVTIYXHXCNOQNL-LBPRGKRZSA-N 1 0 311.813 3.416 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2F)c1 ZINC000413080167 527847913 /nfs/dbraw/zinc/84/79/13/527847913.db2.gz YDPDFGRJACCULN-UHFFFAOYSA-N 1 0 318.352 3.193 20 5 DGBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000444764264 527946360 /nfs/dbraw/zinc/94/63/60/527946360.db2.gz GDRGHBFDEGSUIA-HNNXBMFYSA-N 1 0 312.797 3.375 20 5 DGBDRO CC(C)c1ccc(CN(C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435447093 528091951 /nfs/dbraw/zinc/09/19/51/528091951.db2.gz NPBDGHARQVVLTB-HNNXBMFYSA-N 1 0 305.422 3.292 20 5 DGBDRO CCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC1CC1 ZINC000441242700 528104009 /nfs/dbraw/zinc/10/40/09/528104009.db2.gz GCPWJHUWPJLQNW-UHFFFAOYSA-N 1 0 308.378 3.104 20 5 DGBDRO CCC[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000294673189 528150786 /nfs/dbraw/zinc/15/07/86/528150786.db2.gz APWDHCBCNFNZEZ-GFCCVEGCSA-N 1 0 318.320 3.101 20 5 DGBDRO CC[NH+](CC)CCSc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413177348 528165913 /nfs/dbraw/zinc/16/59/13/528165913.db2.gz WZGKFXJTAKDCGN-UHFFFAOYSA-N 1 0 323.340 3.443 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413080115 528179474 /nfs/dbraw/zinc/17/94/74/528179474.db2.gz FGHNHATZRFWXTL-VIFPVBQESA-N 1 0 320.315 3.151 20 5 DGBDRO CCC[C@H]([NH2+]C1CCN(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421878523 528213626 /nfs/dbraw/zinc/21/36/26/528213626.db2.gz NLYOFKAFMREOPC-INIZCTEOSA-N 1 0 307.394 3.051 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000315263802 528236438 /nfs/dbraw/zinc/23/64/38/528236438.db2.gz DVZFVEUZDBOMIF-PBHICJAKSA-N 1 0 303.406 3.262 20 5 DGBDRO CCC[C@H]([NH2+][C@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429448694 528240053 /nfs/dbraw/zinc/24/00/53/528240053.db2.gz GYDUCEKBJZOIQC-AAEUAGOBSA-N 1 0 302.321 3.042 20 5 DGBDRO CC1CC[NH+](CCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000321853472 528246459 /nfs/dbraw/zinc/24/64/59/528246459.db2.gz ADYGGKLZHRPBOH-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO CCOc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1O ZINC000323346903 528277973 /nfs/dbraw/zinc/27/79/73/528277973.db2.gz HVPHKBSHCPCTMP-UHFFFAOYSA-N 1 0 316.357 3.297 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421920347 528358394 /nfs/dbraw/zinc/35/83/94/528358394.db2.gz YDEUTQLNPSWJEC-AWEZNQCLSA-N 1 0 321.421 3.062 20 5 DGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000299227393 528676128 /nfs/dbraw/zinc/67/61/28/528676128.db2.gz CCYQQYYTFHMBQV-AWEZNQCLSA-N 1 0 316.361 3.265 20 5 DGBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000428839285 528917120 /nfs/dbraw/zinc/91/71/20/528917120.db2.gz LEXBACPNKNCRMP-AWEZNQCLSA-N 1 0 302.378 3.263 20 5 DGBDRO CC[NH+]1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413034807 528990830 /nfs/dbraw/zinc/99/08/30/528990830.db2.gz OHLYQQKGYQNXOJ-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427864775 529020301 /nfs/dbraw/zinc/02/03/01/529020301.db2.gz FTHOJMZCTGHCRK-GDBMZVCRSA-N 1 0 314.389 3.237 20 5 DGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000317247594 529082499 /nfs/dbraw/zinc/08/24/99/529082499.db2.gz JYJDPQBUBNLJNZ-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000316640456 529091753 /nfs/dbraw/zinc/09/17/53/529091753.db2.gz OLXNGSNNKYJPFQ-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413184730 529098312 /nfs/dbraw/zinc/09/83/12/529098312.db2.gz KHWLQANZCKARLA-SWLSCSKDSA-N 1 0 314.389 3.284 20 5 DGBDRO CCSCC[C@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444674223 529191271 /nfs/dbraw/zinc/19/12/71/529191271.db2.gz JYEOXUCRZHDDRP-NSHDSACASA-N 1 0 322.434 3.435 20 5 DGBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444658817 529288509 /nfs/dbraw/zinc/28/85/09/529288509.db2.gz BUQDTUIHZSOTCK-UKRRQHHQSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429784466 529322233 /nfs/dbraw/zinc/32/22/33/529322233.db2.gz JMMUNBANHNNQJK-LALPHHSUSA-N 1 0 305.378 3.090 20 5 DGBDRO CC[C@H](CCO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308252 529327997 /nfs/dbraw/zinc/32/79/97/529327997.db2.gz HTLWUDXUYJXJIT-CXAGYDPISA-N 1 0 306.406 3.361 20 5 DGBDRO CCN1CCCC[C@@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468648824 535487675 /nfs/dbraw/zinc/48/76/75/535487675.db2.gz MZRCYEXJNGIXNV-HAZIXKIPSA-N 1 0 317.433 3.462 20 5 DGBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000451782800 535548143 /nfs/dbraw/zinc/54/81/43/535548143.db2.gz LHEQJIYUJDSZQK-XPKDYRNWSA-N 1 0 320.389 3.286 20 5 DGBDRO COCc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449070456 536779173 /nfs/dbraw/zinc/77/91/73/536779173.db2.gz KHIPKLCGUHVSKK-AWEZNQCLSA-N 1 0 314.385 3.462 20 5 DGBDRO COc1cc(F)cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000312293857 546453236 /nfs/dbraw/zinc/45/32/36/546453236.db2.gz ADANYAUAUFDXNS-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)C[NH+]1CCCC1 ZINC000731206483 574545287 /nfs/dbraw/zinc/54/52/87/574545287.db2.gz JAOQLMFGSNROHZ-LLVKDONJSA-N 1 0 320.418 3.348 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000732917845 574587553 /nfs/dbraw/zinc/58/75/53/574587553.db2.gz PPUMVBLRENANHI-QLJPJBMISA-N 1 0 322.311 3.257 20 5 DGBDRO COC[C@@H](CCO)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000740010510 574918286 /nfs/dbraw/zinc/91/82/86/574918286.db2.gz DDKLAHBTJIHGEU-QGZVFWFLSA-N 1 0 309.409 3.480 20 5 DGBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000742425129 574999297 /nfs/dbraw/zinc/99/92/97/574999297.db2.gz KVAYYDKUGRLYQJ-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO CC(C)C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000744437097 575342650 /nfs/dbraw/zinc/34/26/50/575342650.db2.gz GQDNCFHORKHXKN-CYBMUJFWSA-N 1 0 302.378 3.270 20 5 DGBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000746049785 575428941 /nfs/dbraw/zinc/42/89/41/575428941.db2.gz YPZPJYSRSHTYNR-ZBEGNZNMSA-N 1 0 312.373 3.421 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000746674892 575468280 /nfs/dbraw/zinc/46/82/80/575468280.db2.gz YKLDJKSGEWPESB-HNNXBMFYSA-N 1 0 323.824 3.308 20 5 DGBDRO CCc1ccc(C(=O)OCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000747759093 575539654 /nfs/dbraw/zinc/53/96/54/575539654.db2.gz XUIBTLZMCGYGJL-UHFFFAOYSA-N 1 0 320.389 3.190 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000748267737 575576929 /nfs/dbraw/zinc/57/69/29/575576929.db2.gz CEJDJZOXJJYFST-DLBZAZTESA-N 1 0 316.332 3.044 20 5 DGBDRO CC(C)C[C@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748792965 575607614 /nfs/dbraw/zinc/60/76/14/575607614.db2.gz USAJXACHKFQLEW-CQSZACIVSA-N 1 0 302.378 3.413 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000748820160 575609510 /nfs/dbraw/zinc/60/95/10/575609510.db2.gz GDAYAQPMEHJCBU-ZDUSSCGKSA-N 1 0 314.389 3.229 20 5 DGBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000749154258 575630958 /nfs/dbraw/zinc/63/09/58/575630958.db2.gz JQQIOAJCUZNCPE-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCSc2ccccc2)c1 ZINC000749641291 575670457 /nfs/dbraw/zinc/67/04/57/575670457.db2.gz XJORMLVGHGHDCK-INIZCTEOSA-N 1 0 318.398 3.010 20 5 DGBDRO C[C@H](ON=C(N)C[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000749791242 575678947 /nfs/dbraw/zinc/67/89/47/575678947.db2.gz MYOUPOBFKUMIBG-ZDUSSCGKSA-N 1 0 320.393 3.030 20 5 DGBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000749839839 575682801 /nfs/dbraw/zinc/68/28/01/575682801.db2.gz IIYWXKNFSZFCRI-ZBEGNZNMSA-N 1 0 312.373 3.421 20 5 DGBDRO C[C@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@H]1C ZINC000751932253 575812672 /nfs/dbraw/zinc/81/26/72/575812672.db2.gz ZIDBYVMEZWZCKD-AOOOYVTPSA-N 1 0 307.375 3.417 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC000852673368 620639561 /nfs/dbraw/zinc/63/95/61/620639561.db2.gz HVIFCUIZYOQOAT-DOTOQJQBSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000852788023 620648775 /nfs/dbraw/zinc/64/87/75/620648775.db2.gz UGUTVPCKGDUYDQ-JQFCIGGWSA-N 1 0 304.390 3.283 20 5 DGBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000853133559 620672536 /nfs/dbraw/zinc/67/25/36/620672536.db2.gz KLHHZKDKOPUDFT-GFCCVEGCSA-N 1 0 320.311 3.196 20 5 DGBDRO Cc1cccc(C)c1[C@@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000853523007 620705833 /nfs/dbraw/zinc/70/58/33/620705833.db2.gz QUMBIPLUOHTUGX-AWEZNQCLSA-N 1 0 300.362 3.203 20 5 DGBDRO Cc1nn(C[N@H+](C)C[C@@H]2CCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000853611302 620715617 /nfs/dbraw/zinc/71/56/17/620715617.db2.gz XYFCKKYRAYMNKI-HNNXBMFYSA-N 1 0 314.389 3.027 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CCC[NH+](C)C)c1C ZINC000891312237 617772772 /nfs/dbraw/zinc/77/27/72/617772772.db2.gz UOSOCZGDFCILOM-UHFFFAOYSA-N 1 0 321.421 3.062 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000923773553 618032883 /nfs/dbraw/zinc/03/28/83/618032883.db2.gz MMHWWCCYUKFINC-ZDUSSCGKSA-N 1 0 302.334 3.190 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn(C2CCC2)c1 ZINC000894390349 618303460 /nfs/dbraw/zinc/30/34/60/618303460.db2.gz BUPJLQRMUOMFNW-UHFFFAOYSA-N 1 0 314.389 3.191 20 5 DGBDRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893032736 618399150 /nfs/dbraw/zinc/39/91/50/618399150.db2.gz SXCVAVDQWLIFJF-UHFFFAOYSA-N 1 0 314.769 3.070 20 5 DGBDRO COCCCC1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000893066097 618410285 /nfs/dbraw/zinc/41/02/85/618410285.db2.gz GOQHOOIVFYUTDB-UHFFFAOYSA-N 1 0 306.406 3.324 20 5 DGBDRO COc1c(O)ccc(C[NH2+]Cc2c(C)cccc2C)c1[N+](=O)[O-] ZINC000893172192 618457952 /nfs/dbraw/zinc/45/79/52/618457952.db2.gz OPGLZZCNLVDBBR-UHFFFAOYSA-N 1 0 316.357 3.216 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCO[C@@H]1CCCCO1 ZINC000894799895 618460123 /nfs/dbraw/zinc/46/01/23/618460123.db2.gz PUHPHCPJIKRWEK-RHSMWYFYSA-N 1 0 322.405 3.049 20 5 DGBDRO Cc1ccc(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC000894806744 618463148 /nfs/dbraw/zinc/46/31/48/618463148.db2.gz KAANLNDIHGQNLH-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO Cc1ccnc(N)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000893945692 618681580 /nfs/dbraw/zinc/68/15/80/618681580.db2.gz JULMYFNXJNVHTJ-UHFFFAOYSA-N 1 0 314.389 3.291 20 5 DGBDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000894056453 618701105 /nfs/dbraw/zinc/70/11/05/618701105.db2.gz HXMYMEZMPZXBSO-PWSUYJOCSA-N 1 0 320.418 3.235 20 5 DGBDRO Cc1noc2ncc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cc12 ZINC000894192885 618726413 /nfs/dbraw/zinc/72/64/13/618726413.db2.gz JDANWEVLQNZLTD-JTQLQIEISA-N 1 0 312.329 3.290 20 5 DGBDRO CC1(C)CC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)OC1 ZINC000895528915 618795158 /nfs/dbraw/zinc/79/51/58/618795158.db2.gz BHYMGHHYUNYLEF-GFCCVEGCSA-N 1 0 319.361 3.031 20 5 DGBDRO CCN1CC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000895670046 618815866 /nfs/dbraw/zinc/81/58/66/618815866.db2.gz AFWJWFKVQDOPEW-NSHDSACASA-N 1 0 318.204 3.085 20 5 DGBDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000895783848 618830588 /nfs/dbraw/zinc/83/05/88/618830588.db2.gz CUMIBCCTYGKUDG-AAXDQBDMSA-N 1 0 301.346 3.118 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCC3(CCC3)CO2)cc1 ZINC000895808791 618832371 /nfs/dbraw/zinc/83/23/71/618832371.db2.gz CTFIGXQOUALCNV-MRXNPFEDSA-N 1 0 304.390 3.076 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895846703 618841049 /nfs/dbraw/zinc/84/10/49/618841049.db2.gz WSKHIURUFAOLMP-RHSMWYFYSA-N 1 0 304.390 3.213 20 5 DGBDRO C[NH+](C)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000895891985 618846372 /nfs/dbraw/zinc/84/63/72/618846372.db2.gz MGBZWPANZMIEOF-MRXNPFEDSA-N 1 0 300.362 3.095 20 5 DGBDRO C[NH+](C)CC[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1cccnc1 ZINC000895892389 618846374 /nfs/dbraw/zinc/84/63/74/618846374.db2.gz XNWFWJTUWUFSPB-HNNXBMFYSA-N 1 0 318.352 3.234 20 5 DGBDRO C[NH+](C)CC[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1cccnc1 ZINC000895893315 618846776 /nfs/dbraw/zinc/84/67/76/618846776.db2.gz WBWPKLKNVXGHIS-CQSZACIVSA-N 1 0 318.352 3.234 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000895931557 618850508 /nfs/dbraw/zinc/85/05/08/618850508.db2.gz NPKQXAQABURYLT-VZJVUDMVSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1C[C@]1(C)Br)c1ccc([N+](=O)[O-])cc1 ZINC000896510413 618919381 /nfs/dbraw/zinc/91/93/81/618919381.db2.gz OQQQDSKWIRHCOQ-XWIASGKRSA-N 1 0 313.195 3.419 20 5 DGBDRO C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1C ZINC000896555890 618928356 /nfs/dbraw/zinc/92/83/56/618928356.db2.gz RQECZMDLDGZNQW-PRHODGIISA-N 1 0 318.204 3.084 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCC3(CCC3)O2)cc1 ZINC000896918204 618985593 /nfs/dbraw/zinc/98/55/93/618985593.db2.gz MJBIBFOKWOGHEH-INIZCTEOSA-N 1 0 304.390 3.219 20 5 DGBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000897445119 619128785 /nfs/dbraw/zinc/12/87/85/619128785.db2.gz BMANANYMNRDZGF-UHFFFAOYSA-N 1 0 306.406 3.180 20 5 DGBDRO CCc1onc(C)c1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459126 619129849 /nfs/dbraw/zinc/12/98/49/619129849.db2.gz HSACGGOXGVMNMH-LLVKDONJSA-N 1 0 303.362 3.347 20 5 DGBDRO C[C@H](C[NH2+]Cc1ccnn1C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000897460727 619130141 /nfs/dbraw/zinc/13/01/41/619130141.db2.gz VHSGQURWFILEPD-CYBMUJFWSA-N 1 0 314.389 3.410 20 5 DGBDRO CCc1[nH]nc(Cl)c1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897461436 619130197 /nfs/dbraw/zinc/13/01/97/619130197.db2.gz PANFHNHCINUYEL-JTQLQIEISA-N 1 0 322.796 3.427 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000897465801 619130604 /nfs/dbraw/zinc/13/06/04/619130604.db2.gz IKNNNTQLXSBBQL-KEYYUXOJSA-N 1 0 306.406 3.492 20 5 DGBDRO C[C@H](C[NH2+]Cc1cn(C)nc1C(F)F)c1ccccc1[N+](=O)[O-] ZINC000897465482 619130696 /nfs/dbraw/zinc/13/06/96/619130696.db2.gz WWRHVXYCMRKNDZ-SNVBAGLBSA-N 1 0 324.331 3.159 20 5 DGBDRO C[C@H](CC1CCOCC1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466672 619130952 /nfs/dbraw/zinc/13/09/52/619130952.db2.gz ZCUJNOUSCHCUAO-UONOGXRCSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000897469559 619131638 /nfs/dbraw/zinc/13/16/38/619131638.db2.gz MNCXYMJMEINHRP-LBPRGKRZSA-N 1 0 315.329 3.396 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cc1Cl ZINC000897507713 619140985 /nfs/dbraw/zinc/14/09/85/619140985.db2.gz FREMQIZNJXJDFP-WFASDCNBSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@@H]1CC2(CC([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])C2)CO1 ZINC000897781289 619182150 /nfs/dbraw/zinc/18/21/50/619182150.db2.gz UNKDBUYVLAZTGK-RFSLPGQUSA-N 1 0 302.374 3.155 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC(CCO)C2)o1 ZINC000898008043 619201473 /nfs/dbraw/zinc/20/14/73/619201473.db2.gz KGTZJLJYPWKTLG-UHFFFAOYSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCOC12CCCC2 ZINC000898113348 619215364 /nfs/dbraw/zinc/21/53/64/619215364.db2.gz XTMCQJSNLFFYHX-WRLNGNIRSA-N 1 0 302.374 3.299 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000898386364 619270074 /nfs/dbraw/zinc/27/00/74/619270074.db2.gz KAHIWFZWRZNAGG-HOTGVXAUSA-N 1 0 304.390 3.233 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOC1CCSCC1 ZINC000898441317 619276128 /nfs/dbraw/zinc/27/61/28/619276128.db2.gz SHRFWQKWIAEJBS-OAHLLOKOSA-N 1 0 322.430 3.084 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000899936963 619384566 /nfs/dbraw/zinc/38/45/66/619384566.db2.gz KOCVAOHHQIZNDM-DZGCQCFKSA-N 1 0 317.389 3.167 20 5 DGBDRO COc1cc([C@H](C)[NH2+]Cc2scnc2C)cc([N+](=O)[O-])c1 ZINC000903091051 619714576 /nfs/dbraw/zinc/71/45/76/619714576.db2.gz MARKYJFAPLWVJG-VIFPVBQESA-N 1 0 307.375 3.219 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000903104485 619717106 /nfs/dbraw/zinc/71/71/06/619717106.db2.gz JAHINERTCUZKRF-SJCJKPOMSA-N 1 0 322.405 3.459 20 5 DGBDRO CCC(CC)(CCO)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903104809 619717504 /nfs/dbraw/zinc/71/75/04/619717504.db2.gz LFEZFANTECOBHC-CYBMUJFWSA-N 1 0 324.421 3.443 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC2CCC(OC)CC2)cc([N+](=O)[O-])c1 ZINC000903107456 619717915 /nfs/dbraw/zinc/71/79/15/619717915.db2.gz VCRMHZNKTNRVMF-VEAWUBTESA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)C2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903113960 619719995 /nfs/dbraw/zinc/71/99/95/619719995.db2.gz ZIXXTZSAOBFXKE-NEPJUHHUSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)cc([N+](=O)[O-])c1 ZINC000903125661 619722332 /nfs/dbraw/zinc/72/23/32/619722332.db2.gz NFDOCVUHKHWKMK-GXTWGEPZSA-N 1 0 320.389 3.356 20 5 DGBDRO CCOC1CC(CC[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903157186 619726615 /nfs/dbraw/zinc/72/66/15/619726615.db2.gz ACGJRYZAVFKCGM-SFYCDEOASA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903184437 619732047 /nfs/dbraw/zinc/73/20/47/619732047.db2.gz BVFTXQMYVKULNU-CZXHOFHRSA-N 1 0 308.378 3.068 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](C)c2ccccn2)cc([N+](=O)[O-])c1 ZINC000903195840 619733920 /nfs/dbraw/zinc/73/39/20/619733920.db2.gz BIVCFEYWGRAUKK-CHWSQXEVSA-N 1 0 315.373 3.453 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H](C)c2ccccn2)cc([N+](=O)[O-])c1 ZINC000903195843 619734010 /nfs/dbraw/zinc/73/40/10/619734010.db2.gz BIVCFEYWGRAUKK-STQMWFEESA-N 1 0 315.373 3.453 20 5 DGBDRO CC[C@H](NCc1cc(N(C)C)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000903201232 619735251 /nfs/dbraw/zinc/73/52/51/619735251.db2.gz GNBBUPYJDUIGLR-KRWDZBQOSA-N 1 0 314.389 3.297 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)cc([N+](=O)[O-])c1 ZINC000903200232 619735602 /nfs/dbraw/zinc/73/56/02/619735602.db2.gz MUAXHXPAHCQJJR-ZANVPECISA-N 1 0 300.305 3.299 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000903189308 619737152 /nfs/dbraw/zinc/73/71/52/619737152.db2.gz AMLQZZQATCBZEK-XFBWCDHKSA-N 1 0 310.394 3.050 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@@H]2CCSC2)cc([N+](=O)[O-])c1 ZINC000903209926 619738840 /nfs/dbraw/zinc/73/88/40/619738840.db2.gz QYKJKJGUFOXNFD-NWDGAFQWSA-N 1 0 310.419 3.397 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CC3(CCC3)CO2)cc([N+](=O)[O-])c1 ZINC000903218902 619741073 /nfs/dbraw/zinc/74/10/73/619741073.db2.gz DXZUXUYCRYQNKI-MLGOLLRUSA-N 1 0 320.389 3.213 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])nn1C ZINC000903244745 619743292 /nfs/dbraw/zinc/74/32/92/619743292.db2.gz CNCXPUSFSVYCLR-DGCLKSJQSA-N 1 0 302.378 3.091 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000903245691 619743517 /nfs/dbraw/zinc/74/35/17/619743517.db2.gz OACGBFIXCUDHAH-QWHCGFSZSA-N 1 0 315.373 3.453 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCCc2nn(C)cc21)c1ccccc1[N+](=O)[O-] ZINC000903245007 619743604 /nfs/dbraw/zinc/74/36/04/619743604.db2.gz IAFGFSDMOPSMAG-IUODEOHRSA-N 1 0 314.389 3.099 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000903245841 619743769 /nfs/dbraw/zinc/74/37/69/619743769.db2.gz OSNZJFDYPJVLPX-FMKPAKJESA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000903245897 619744057 /nfs/dbraw/zinc/74/40/57/619744057.db2.gz QGHJZXWCPVTSIG-XUWXXGDYSA-N 1 0 318.417 3.493 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CC2(C3(O)CCC3)CC2)cccc1[N+](=O)[O-] ZINC000903260448 619746731 /nfs/dbraw/zinc/74/67/31/619746731.db2.gz VCEPUYDLGDDJCE-ZDUSSCGKSA-N 1 0 304.390 3.249 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](CCO)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000903296533 619752727 /nfs/dbraw/zinc/75/27/27/619752727.db2.gz KITBLFLQZMJCRT-YVEFUNNKSA-N 1 0 322.405 3.195 20 5 DGBDRO C[C@H]([NH2+][C@@H](CO)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000903290242 619755130 /nfs/dbraw/zinc/75/51/30/619755130.db2.gz UIFMGZBMBMEDAQ-WMLDXEAASA-N 1 0 314.385 3.239 20 5 DGBDRO CO[C@]1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCSC1 ZINC000903309172 619757080 /nfs/dbraw/zinc/75/70/80/619757080.db2.gz CCNAYUDNGDBMNW-WFASDCNBSA-N 1 0 310.419 3.076 20 5 DGBDRO C[C@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000903310983 619757398 /nfs/dbraw/zinc/75/73/98/619757398.db2.gz PQYDXZUKBGOMMR-SJCJKPOMSA-N 1 0 318.348 3.292 20 5 DGBDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCSC1 ZINC000903311464 619757760 /nfs/dbraw/zinc/75/77/60/619757760.db2.gz UOIPARDSRKWTLR-DOMZBBRYSA-N 1 0 310.419 3.076 20 5 DGBDRO CO[C@@]1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000903313902 619757931 /nfs/dbraw/zinc/75/79/31/619757931.db2.gz CHCGKUNEWJNIQI-HZPDHXFCSA-N 1 0 322.430 3.084 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)(C)OC)cc1[N+](=O)[O-] ZINC000903332408 619762669 /nfs/dbraw/zinc/76/26/69/619762669.db2.gz RZMFHUJOSBOUMK-NEPJUHHUSA-N 1 0 310.394 3.458 20 5 DGBDRO C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903367021 619765847 /nfs/dbraw/zinc/76/58/47/619765847.db2.gz GGKCCMMSVSIPIK-BFQNTYOBSA-N 1 0 320.364 3.344 20 5 DGBDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000903442765 619777343 /nfs/dbraw/zinc/77/73/43/619777343.db2.gz TYFCXPJPBGYJKK-NCAQKEMTSA-N 1 0 316.332 3.043 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903485033 619781125 /nfs/dbraw/zinc/78/11/25/619781125.db2.gz YRLIKKDBJMIKKW-CQSZACIVSA-N 1 0 309.797 3.013 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000924797823 619914605 /nfs/dbraw/zinc/91/46/05/619914605.db2.gz IFRODBSHQWCCGH-ARLBYUKCSA-N 1 0 304.390 3.451 20 5 DGBDRO O=C(CC[NH2+]C[C@]12C[C@H]1CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000905508855 620003252 /nfs/dbraw/zinc/00/32/52/620003252.db2.gz LITMNGWPOMWLDX-DYVFJYSZSA-N 1 0 317.389 3.093 20 5 DGBDRO CSC1CCC(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000905510712 620003294 /nfs/dbraw/zinc/00/32/94/620003294.db2.gz YWAJLRNWTKXMLI-VDSRIPIWSA-N 1 0 324.446 3.140 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000908277760 620197958 /nfs/dbraw/zinc/19/79/58/620197958.db2.gz FCJPYTZMELCBCV-LLVKDONJSA-N 1 0 323.393 3.099 20 5 DGBDRO CCCCC[N@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153936045 620624994 /nfs/dbraw/zinc/62/49/94/620624994.db2.gz IILXBWRMVVDKIF-UHFFFAOYSA-N 1 0 300.786 3.233 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852566740 620630659 /nfs/dbraw/zinc/63/06/59/620630659.db2.gz ONCUNUUGEXFMFT-RHSMWYFYSA-N 1 0 311.385 3.491 20 5 DGBDRO CCN(CCC[NH+]1CCCC1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000788078442 620907608 /nfs/dbraw/zinc/90/76/08/620907608.db2.gz VNJWVIWHAAQWIT-UHFFFAOYSA-N 1 0 313.348 3.185 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nccc3c2CCCC3)cc1 ZINC000921685991 620933554 /nfs/dbraw/zinc/93/35/54/620933554.db2.gz DKMMRBUGLSHPBG-UHFFFAOYSA-N 1 0 311.385 3.201 20 5 DGBDRO Cc1c(C[NH2+]Cc2nccc3c2CCCC3)cccc1[N+](=O)[O-] ZINC000922049470 620982968 /nfs/dbraw/zinc/98/29/68/620982968.db2.gz XYBZLKANOVXNMC-UHFFFAOYSA-N 1 0 311.385 3.467 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922460787 621041044 /nfs/dbraw/zinc/04/10/44/621041044.db2.gz JTMIKRFTTOISBD-AAEUAGOBSA-N 1 0 318.295 3.103 20 5 DGBDRO C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000857082899 621056707 /nfs/dbraw/zinc/05/67/07/621056707.db2.gz RQOIHDRRWYLMFT-WPRPVWTQSA-N 1 0 318.204 3.412 20 5 DGBDRO CO[C@]1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000922571726 621058646 /nfs/dbraw/zinc/05/86/46/621058646.db2.gz GAQJXYOQMBKMSG-OIQJVACTSA-N 1 0 322.430 3.110 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922731667 621092528 /nfs/dbraw/zinc/09/25/28/621092528.db2.gz GLKPZORMLWTFDT-JOYOIKCWSA-N 1 0 318.295 3.282 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000922964325 621141019 /nfs/dbraw/zinc/14/10/19/621141019.db2.gz RRLRJCCTIBEECU-GOSISDBHSA-N 1 0 312.369 3.389 20 5 DGBDRO Cc1c(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)cccc1[N+](=O)[O-] ZINC000922968806 621141432 /nfs/dbraw/zinc/14/14/32/621141432.db2.gz SCVSMSUFLDPUHW-HNNXBMFYSA-N 1 0 304.390 3.485 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2([C@@H]3CCCCO3)CC2)c1 ZINC000923028211 621148476 /nfs/dbraw/zinc/14/84/76/621148476.db2.gz VJBKVOFHWPNWSM-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000923503050 621188439 /nfs/dbraw/zinc/18/84/39/621188439.db2.gz FOOMBXIYOSVTQG-AWEZNQCLSA-N 1 0 323.462 3.258 20 5 DGBDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000858503581 621198896 /nfs/dbraw/zinc/19/88/96/621198896.db2.gz BYQOTFNYMYSDPW-WFASDCNBSA-N 1 0 318.373 3.206 20 5 DGBDRO CC1(C)CCC[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000859618375 621299613 /nfs/dbraw/zinc/29/96/13/621299613.db2.gz QZRMGECHKJJFFI-MRXNPFEDSA-N 1 0 310.369 3.155 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000755056096 621549249 /nfs/dbraw/zinc/54/92/49/621549249.db2.gz CQQGXCDWADLPBD-ZDUSSCGKSA-N 1 0 324.808 3.497 20 5 DGBDRO CCOc1cc(CN2CC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000755064205 621549799 /nfs/dbraw/zinc/54/97/99/621549799.db2.gz JHBINKQBTYXUJJ-NSHDSACASA-N 1 0 318.295 3.378 20 5 DGBDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863584106 621685532 /nfs/dbraw/zinc/68/55/32/621685532.db2.gz POKVLXAQZOYUHL-RCCFBDPRSA-N 1 0 312.369 3.082 20 5 DGBDRO C[C@@H]([NH2+]CC[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000839544982 621693633 /nfs/dbraw/zinc/69/36/33/621693633.db2.gz ZTBCRBWCXIUHDZ-CXAGYDPISA-N 1 0 300.358 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000839680961 621711711 /nfs/dbraw/zinc/71/17/11/621711711.db2.gz POUXIGYVKQQSKK-LBPRGKRZSA-N 1 0 305.334 3.125 20 5 DGBDRO C[NH+](C)CCN(Cc1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000759700319 621883894 /nfs/dbraw/zinc/88/38/94/621883894.db2.gz PLQXGIIJQSUABG-UHFFFAOYSA-N 1 0 323.393 3.364 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCc3cccnc3CC2)cc1[N+](=O)[O-] ZINC000865787656 621995976 /nfs/dbraw/zinc/99/59/76/621995976.db2.gz QFIMNWFXHNLTRK-MRXNPFEDSA-N 1 0 311.385 3.335 20 5 DGBDRO CCN(C)c1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000865787926 621996122 /nfs/dbraw/zinc/99/61/22/621996122.db2.gz VTLVKWNKPBQFJE-UHFFFAOYSA-N 1 0 314.389 3.044 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000865787660 621996133 /nfs/dbraw/zinc/99/61/33/621996133.db2.gz QKRARMGHCKEPRK-UHFFFAOYSA-N 1 0 316.405 3.224 20 5 DGBDRO Cc1nn(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293068 621999500 /nfs/dbraw/zinc/99/95/00/621999500.db2.gz PJJZYKLNMLLNGO-KBPBESRZSA-N 1 0 314.389 3.332 20 5 DGBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3C(F)F)C2)C1 ZINC000865827242 622002242 /nfs/dbraw/zinc/00/22/42/622002242.db2.gz FXGOULAGYBFTNG-OAHLLOKOSA-N 1 0 311.332 3.064 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866264628 622079899 /nfs/dbraw/zinc/07/98/99/622079899.db2.gz CAHRMKZYTNYIFX-HWWQOWPSSA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)CC(C)(C)C ZINC000866270425 622080667 /nfs/dbraw/zinc/08/06/67/622080667.db2.gz XQQJJHUXKUWNGQ-RISCZKNCSA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC(C)(C)CO ZINC000866272966 622081902 /nfs/dbraw/zinc/08/19/02/622081902.db2.gz ZPJGURATEPNPDD-GFCCVEGCSA-N 1 0 312.385 3.053 20 5 DGBDRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866281311 622084413 /nfs/dbraw/zinc/08/44/13/622084413.db2.gz GVCAJINZCDZELL-CHWSQXEVSA-N 1 0 317.364 3.281 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000762617864 622087223 /nfs/dbraw/zinc/08/72/23/622087223.db2.gz UVXPILAVJIVURK-MCIONIFRSA-N 1 0 310.444 3.064 20 5 DGBDRO Cc1cnccc1CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866309418 622090593 /nfs/dbraw/zinc/09/05/93/622090593.db2.gz GBKULIOLCPQYGU-CYBMUJFWSA-N 1 0 317.364 3.201 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000866309388 622090632 /nfs/dbraw/zinc/09/06/32/622090632.db2.gz FMQIUCDAOLTCKX-DIOULYMOSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000866344231 622098602 /nfs/dbraw/zinc/09/86/02/622098602.db2.gz SAUFEQODJKDJFX-SMDDNHRTSA-N 1 0 310.369 3.212 20 5 DGBDRO Cc1cccnc1CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866368123 622104538 /nfs/dbraw/zinc/10/45/38/622104538.db2.gz WTEHEPIJPVRFTL-CYBMUJFWSA-N 1 0 317.364 3.201 20 5 DGBDRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866367921 622104596 /nfs/dbraw/zinc/10/45/96/622104596.db2.gz RLVMGMBIGDHMOP-NEPJUHHUSA-N 1 0 320.368 3.232 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000866375157 622106048 /nfs/dbraw/zinc/10/60/48/622106048.db2.gz LIUPEDQBMWSJDT-HZUKXOBISA-N 1 0 312.385 3.050 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000866376145 622106128 /nfs/dbraw/zinc/10/61/28/622106128.db2.gz SPSBKDBFIMZNNN-BYNQJWBRSA-N 1 0 310.369 3.068 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1ccccn1 ZINC000866384527 622107823 /nfs/dbraw/zinc/10/78/23/622107823.db2.gz BOLASMPUBIHECI-CHWSQXEVSA-N 1 0 317.364 3.453 20 5 DGBDRO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866387027 622108259 /nfs/dbraw/zinc/10/82/59/622108259.db2.gz KIUHZFZUVUYQKL-STQMWFEESA-N 1 0 317.364 3.281 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CCSC1 ZINC000866401468 622111450 /nfs/dbraw/zinc/11/14/50/622111450.db2.gz AMOZPGHAOISFTI-RYUDHWBXSA-N 1 0 312.410 3.398 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccns1 ZINC000866399818 622111523 /nfs/dbraw/zinc/11/15/23/622111523.db2.gz WABQBRBFWBNWDO-ZJUUUORDSA-N 1 0 309.366 3.472 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000866501742 622128342 /nfs/dbraw/zinc/12/83/42/622128342.db2.gz WMFJBAXIMATPFD-WHGOUJPWSA-N 1 0 306.259 3.205 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866512715 622130205 /nfs/dbraw/zinc/13/02/05/622130205.db2.gz NYIYPJAYPOQDHH-PZSREKOKSA-N 1 0 319.405 3.033 20 5 DGBDRO C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC000866570249 622140533 /nfs/dbraw/zinc/14/05/33/622140533.db2.gz FCROTYNSVGIIBZ-CYBMUJFWSA-N 1 0 324.384 3.375 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000866634187 622150733 /nfs/dbraw/zinc/15/07/33/622150733.db2.gz BUSNEVDHLSZKKJ-SGMGOOAPSA-N 1 0 310.394 3.194 20 5 DGBDRO C[C@H](CCC(C)(C)C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945302 622195911 /nfs/dbraw/zinc/19/59/11/622195911.db2.gz TUGNGNWORUVCBU-SJKOYZFVSA-N 1 0 321.421 3.100 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)N1CCCCC1 ZINC000765257478 622254399 /nfs/dbraw/zinc/25/43/99/622254399.db2.gz YKDKLRAQQKSICG-LSDHHAIUSA-N 1 0 305.422 3.428 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000765845132 622290724 /nfs/dbraw/zinc/29/07/24/622290724.db2.gz MVFWKROLHNRKKG-QWQRMKEZSA-N 1 0 314.385 3.410 20 5 DGBDRO CC(C)C1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765849342 622291235 /nfs/dbraw/zinc/29/12/35/622291235.db2.gz ORUZNOBIIDICMO-PUJMQQBBSA-N 1 0 306.406 3.433 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000766248912 622314897 /nfs/dbraw/zinc/31/48/97/622314897.db2.gz JGTHFGNDGBEZHM-RYUDHWBXSA-N 1 0 311.813 3.163 20 5 DGBDRO CC1(C)C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000767916842 622427981 /nfs/dbraw/zinc/42/79/81/622427981.db2.gz KNVOUCUPCVCDPP-OAHLLOKOSA-N 1 0 306.406 3.386 20 5 DGBDRO CC1CC[NH+](CCCCNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881810783 625568906 /nfs/dbraw/zinc/56/89/06/625568906.db2.gz OLYBVXPBPFWKTM-UHFFFAOYSA-N 1 0 310.373 3.053 20 5 DGBDRO Cc1nc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000872021433 622755962 /nfs/dbraw/zinc/75/59/62/622755962.db2.gz QLHVNFLVTOHQQF-VIFPVBQESA-N 1 0 309.366 3.392 20 5 DGBDRO C[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000872024780 622758174 /nfs/dbraw/zinc/75/81/74/622758174.db2.gz DVNQBTKQFATAKY-STQMWFEESA-N 1 0 309.385 3.116 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028109 622761242 /nfs/dbraw/zinc/76/12/42/622761242.db2.gz NVMDVAAYXXPBAG-BONVTDFDSA-N 1 0 322.311 3.257 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000872033439 622764997 /nfs/dbraw/zinc/76/49/97/622764997.db2.gz HHSMTKYNQSJPDD-RYUDHWBXSA-N 1 0 321.446 3.204 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(O)CCCC1 ZINC000872035455 622765811 /nfs/dbraw/zinc/76/58/11/622765811.db2.gz MSXIVUOHICOQPX-LLVKDONJSA-N 1 0 310.419 3.272 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CSCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043379 622770229 /nfs/dbraw/zinc/77/02/29/622770229.db2.gz XKVBDCHHILZCKT-UWVGGRQHSA-N 1 0 316.423 3.233 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000872048370 622774698 /nfs/dbraw/zinc/77/46/98/622774698.db2.gz YSEKWLRQOBSAOQ-NEPJUHHUSA-N 1 0 320.418 3.253 20 5 DGBDRO COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872052606 622777066 /nfs/dbraw/zinc/77/70/66/622777066.db2.gz PNNYRXZXACYIDJ-YGRLFVJLSA-N 1 0 310.419 3.392 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052067 622777120 /nfs/dbraw/zinc/77/71/20/622777120.db2.gz AZDCUVDBTBQXRM-NWDGAFQWSA-N 1 0 324.352 3.070 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cnccn1 ZINC000872053435 622778462 /nfs/dbraw/zinc/77/84/62/622778462.db2.gz KIYCBLOWUQBDKW-LLVKDONJSA-N 1 0 318.402 3.000 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000872063994 622784730 /nfs/dbraw/zinc/78/47/30/622784730.db2.gz UZUXVMCXAXMJQY-CUOATXAZSA-N 1 0 310.419 3.127 20 5 DGBDRO Cc1ncsc1CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872075659 622791266 /nfs/dbraw/zinc/79/12/66/622791266.db2.gz TZYGBMHIYLWZCZ-SNVBAGLBSA-N 1 0 309.366 3.392 20 5 DGBDRO COCC(C)(C)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000872103383 622806333 /nfs/dbraw/zinc/80/63/33/622806333.db2.gz ZFDQBKWYGIAGGK-GFCCVEGCSA-N 1 0 312.385 3.317 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000872128443 622822640 /nfs/dbraw/zinc/82/26/40/622822640.db2.gz QQFYXPSZWBGSEX-UKTARXLSSA-N 1 0 320.389 3.223 20 5 DGBDRO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000872131538 622824747 /nfs/dbraw/zinc/82/47/47/622824747.db2.gz WHJQPYNYMDOCCG-ZYHUDNBSSA-N 1 0 318.352 3.114 20 5 DGBDRO [NH3+]C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])c2ccccc21 ZINC000872153946 622835008 /nfs/dbraw/zinc/83/50/08/622835008.db2.gz KJVQGLTULZBWGF-LBPRGKRZSA-N 1 0 315.348 3.187 20 5 DGBDRO CC(C)(C)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000872234852 622863516 /nfs/dbraw/zinc/86/35/16/622863516.db2.gz ZSAXROQOZAEEJM-HNNXBMFYSA-N 1 0 318.373 3.309 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000872249244 622866812 /nfs/dbraw/zinc/86/68/12/622866812.db2.gz GMVUJBFWTJZHHX-PMUMKWKESA-N 1 0 314.385 3.410 20 5 DGBDRO CCc1noc(C)c1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000773119611 622987259 /nfs/dbraw/zinc/98/72/59/622987259.db2.gz PTJMZESLSZANSU-NSHDSACASA-N 1 0 303.362 3.347 20 5 DGBDRO Cc1c(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873021576 623019542 /nfs/dbraw/zinc/01/95/42/623019542.db2.gz LQLAZSPZFZFEJL-INIZCTEOSA-N 1 0 316.405 3.304 20 5 DGBDRO Cc1c(C[NH2+]CCCc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000873054712 623026439 /nfs/dbraw/zinc/02/64/39/623026439.db2.gz UJHNUTFFEWGCNY-UHFFFAOYSA-N 1 0 300.358 3.331 20 5 DGBDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873105313 623036531 /nfs/dbraw/zinc/03/65/31/623036531.db2.gz YZEYHTYOSLECKS-HNNXBMFYSA-N 1 0 318.373 3.234 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000873131921 623043427 /nfs/dbraw/zinc/04/34/27/623043427.db2.gz ZTPJLGNZKMBPLT-SJLPKXTDSA-N 1 0 318.417 3.098 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873155418 623053916 /nfs/dbraw/zinc/05/39/16/623053916.db2.gz FMRRNPPURNMJJQ-RQVBUSTBSA-N 1 0 302.374 3.155 20 5 DGBDRO COCC1(C)CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000773732142 623064273 /nfs/dbraw/zinc/06/42/73/623064273.db2.gz PYRLZJAAEKLFMJ-UHFFFAOYSA-N 1 0 312.797 3.497 20 5 DGBDRO COCC1(C)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000773730232 623064482 /nfs/dbraw/zinc/06/44/82/623064482.db2.gz GSIVSLFQRUPXRA-UHFFFAOYSA-N 1 0 312.797 3.497 20 5 DGBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000873184662 623066318 /nfs/dbraw/zinc/06/63/18/623066318.db2.gz WDMBKJLOFIZKLD-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](O)c1ccccc1 ZINC000873193603 623069285 /nfs/dbraw/zinc/06/92/85/623069285.db2.gz MNKYKQHIGWMTIT-DLBZAZTESA-N 1 0 318.348 3.336 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000775062630 623224567 /nfs/dbraw/zinc/22/45/67/623224567.db2.gz FJVGSSMZLNAADG-LLVKDONJSA-N 1 0 307.350 3.371 20 5 DGBDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775187560 623239093 /nfs/dbraw/zinc/23/90/93/623239093.db2.gz OMIOPQHISLUPJV-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776270225 623404415 /nfs/dbraw/zinc/40/44/15/623404415.db2.gz AYTRBTGZPLNXFF-QGZVFWFLSA-N 1 0 300.358 3.069 20 5 DGBDRO Cc1ccccc1C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272790 623405194 /nfs/dbraw/zinc/40/51/94/623405194.db2.gz WNIPLQCWWGDDJH-QGZVFWFLSA-N 1 0 300.358 3.069 20 5 DGBDRO C[N@H+](CCCc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277427 623405819 /nfs/dbraw/zinc/40/58/19/623405819.db2.gz PGSKLSCHNKGCGF-GOSISDBHSA-N 1 0 314.385 3.193 20 5 DGBDRO Cc1cccc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776276413 623406111 /nfs/dbraw/zinc/40/61/11/623406111.db2.gz JQEITHBFLQQPSV-QGZVFWFLSA-N 1 0 300.358 3.069 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000776575975 623442172 /nfs/dbraw/zinc/44/21/72/623442172.db2.gz XSVSOFQOHIAJIS-INIZCTEOSA-N 1 0 318.398 3.354 20 5 DGBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587481 623444322 /nfs/dbraw/zinc/44/43/22/623444322.db2.gz IBJNYTJLQMATCB-JWZBEHFJSA-N 1 0 304.390 3.281 20 5 DGBDRO CC(C)(C)C1=CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592824 623445405 /nfs/dbraw/zinc/44/54/05/623445405.db2.gz AVUYKMROKJDLJN-INIZCTEOSA-N 1 0 304.390 3.306 20 5 DGBDRO CC[C@H](c1ccncc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602128 623446204 /nfs/dbraw/zinc/44/62/04/623446204.db2.gz SLIUXZWGYMLVDN-IAGOWNOFSA-N 1 0 315.373 3.106 20 5 DGBDRO CC(C)[C@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963837 623592262 /nfs/dbraw/zinc/59/22/62/623592262.db2.gz MUBLZXMGHIMJHM-HNNXBMFYSA-N 1 0 314.389 3.394 20 5 DGBDRO C[C@](O)(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000778214632 623626231 /nfs/dbraw/zinc/62/62/31/623626231.db2.gz OWDHGYFTEQXGAS-KRWDZBQOSA-N 1 0 318.348 3.121 20 5 DGBDRO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000778245432 623631221 /nfs/dbraw/zinc/63/12/21/623631221.db2.gz LPEHYJWEUXMUHO-IAQYHMDHSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@H]1C[C@@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000778994776 623717776 /nfs/dbraw/zinc/71/77/76/623717776.db2.gz KTYOUQUNNOXBDT-RYUDHWBXSA-N 1 0 312.797 3.495 20 5 DGBDRO C[C@@H](CCc1ccccc1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876893317 623737941 /nfs/dbraw/zinc/73/79/41/623737941.db2.gz FZZSDPKTNHMQMY-JEYLPNPQSA-N 1 0 314.389 3.106 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1F ZINC000876905183 623741259 /nfs/dbraw/zinc/74/12/59/623741259.db2.gz FDEYPDHQIFCXQK-GCVQQVDUSA-N 1 0 322.315 3.124 20 5 DGBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877007323 623765315 /nfs/dbraw/zinc/76/53/15/623765315.db2.gz LZTQCDLWYIYRRO-BGHVQYPCSA-N 1 0 306.410 3.299 20 5 DGBDRO CCC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccn1 ZINC000877012949 623765817 /nfs/dbraw/zinc/76/58/17/623765817.db2.gz HHCMPYSMRGUMFP-ZUEPYMLJSA-N 1 0 315.377 3.021 20 5 DGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000779429980 623769644 /nfs/dbraw/zinc/76/96/44/623769644.db2.gz ZFXNKSWFKOPHIT-SNVBAGLBSA-N 1 0 313.348 3.040 20 5 DGBDRO Cc1cccc([C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1C ZINC000877032658 623770347 /nfs/dbraw/zinc/77/03/47/623770347.db2.gz MYYGNFSRQNWHGQ-NFOMZHRRSA-N 1 0 314.389 3.462 20 5 DGBDRO C[C@H]1CCCC[C@@H]1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877039737 623773600 /nfs/dbraw/zinc/77/36/00/623773600.db2.gz OTQNZUNJXYLJCS-ZUJMUWTESA-N 1 0 306.410 3.301 20 5 DGBDRO COCC1(C)CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877171810 623817192 /nfs/dbraw/zinc/81/71/92/623817192.db2.gz LJUJNEJFDZUMQG-UHFFFAOYSA-N 1 0 306.406 3.460 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000779864389 623824374 /nfs/dbraw/zinc/82/43/74/623824374.db2.gz AXNPETFBMGGDMT-GOEBONIOSA-N 1 0 314.389 3.010 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(C(F)F)cc3)C2)c1 ZINC000877376661 623861999 /nfs/dbraw/zinc/86/19/99/623861999.db2.gz XEMFLOXRSLOHJV-UHFFFAOYSA-N 1 0 322.315 3.222 20 5 DGBDRO CC[C@@]1(CO)CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877438257 623881942 /nfs/dbraw/zinc/88/19/42/623881942.db2.gz MKZJCLOWSKESBU-QGZVFWFLSA-N 1 0 306.406 3.196 20 5 DGBDRO C[C@@](O)(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000877441956 623884886 /nfs/dbraw/zinc/88/48/86/623884886.db2.gz VHCWQVWCHYUOCA-GOSISDBHSA-N 1 0 314.385 3.025 20 5 DGBDRO CCC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000877586911 623952170 /nfs/dbraw/zinc/95/21/70/623952170.db2.gz XFXFUWSQSAVDBT-ZBCRRDGASA-N 1 0 306.410 3.443 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000877595633 623955589 /nfs/dbraw/zinc/95/55/89/623955589.db2.gz AAYKHRJZEYPFHT-OAHLLOKOSA-N 1 0 306.406 3.196 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](C3CCC3)C3CCCC3)C2)c1 ZINC000877605156 623959364 /nfs/dbraw/zinc/95/93/64/623959364.db2.gz OBUSIJPHBLQDOP-VMBOVVBDSA-N 1 0 318.421 3.443 20 5 DGBDRO C[C@@]1(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@]1(F)Cl ZINC000877611622 623962272 /nfs/dbraw/zinc/96/22/72/623962272.db2.gz VWKUXYDQZAAOOZ-ZIAGYGMSSA-N 1 0 300.761 3.432 20 5 DGBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CC2CCC1CC2 ZINC000877617447 623964012 /nfs/dbraw/zinc/96/40/12/623964012.db2.gz WKDZRMIOPQKFPP-SFBBAABFSA-N 1 0 318.421 3.299 20 5 DGBDRO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCCO1 ZINC000877702689 623997855 /nfs/dbraw/zinc/99/78/55/623997855.db2.gz XBHDACQWTFRDFF-CQSZACIVSA-N 1 0 319.361 3.173 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCSCCC(F)(F)F)cc1 ZINC000877730850 624006578 /nfs/dbraw/zinc/00/65/78/624006578.db2.gz HFKRWAPSTRXDDJ-UHFFFAOYSA-N 1 0 322.352 3.413 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1Cl ZINC000877738583 624012752 /nfs/dbraw/zinc/01/27/52/624012752.db2.gz OPJYVIDEUQSEFE-NEPJUHHUSA-N 1 0 312.822 3.433 20 5 DGBDRO Cc1csc([C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000877814062 624046647 /nfs/dbraw/zinc/04/66/47/624046647.db2.gz NGECHCKECKAFDI-CQSZACIVSA-N 1 0 317.414 3.392 20 5 DGBDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877816657 624048631 /nfs/dbraw/zinc/04/86/31/624048631.db2.gz BQWVOIDCAIBSRI-CQSZACIVSA-N 1 0 320.389 3.068 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877935029 624100486 /nfs/dbraw/zinc/10/04/86/624100486.db2.gz GMVAZROWUXNHSF-LLVKDONJSA-N 1 0 302.334 3.019 20 5 DGBDRO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1CCCC1 ZINC000878015101 624136044 /nfs/dbraw/zinc/13/60/44/624136044.db2.gz WJRDAVRBQRHEOU-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)C ZINC000878039061 624144908 /nfs/dbraw/zinc/14/49/08/624144908.db2.gz WOIADFPMPZYYLZ-UHFFFAOYSA-N 1 0 304.350 3.123 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878332384 624247293 /nfs/dbraw/zinc/24/72/93/624247293.db2.gz NYBBQKQTRCANIP-NWDGAFQWSA-N 1 0 316.361 3.123 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532326 624261188 /nfs/dbraw/zinc/26/11/88/624261188.db2.gz SQPNWRVLSZWKFF-NEPJUHHUSA-N 1 0 323.368 3.325 20 5 DGBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC1([NH+](C)C)CCC1 ZINC000782644319 624270551 /nfs/dbraw/zinc/27/05/51/624270551.db2.gz XNZHCFOOXAWNFQ-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878453337 624281653 /nfs/dbraw/zinc/28/16/53/624281653.db2.gz RTPKSECIVOQMCB-YPMHNXCESA-N 1 0 316.361 3.265 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC2(CCC2)O1 ZINC000878566369 624309586 /nfs/dbraw/zinc/30/95/86/624309586.db2.gz ZOIAPVMDEYUUGA-MRXNPFEDSA-N 1 0 304.390 3.171 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(CCC2)O1 ZINC000878599404 624318520 /nfs/dbraw/zinc/31/85/20/624318520.db2.gz YEHWFJBNNZEISO-OAHLLOKOSA-N 1 0 304.390 3.171 20 5 DGBDRO CC(C)([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000878643833 624328494 /nfs/dbraw/zinc/32/84/94/624328494.db2.gz PWZKJISUWYEUOS-HEHGZKQESA-N 1 0 304.390 3.377 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000783569437 624367627 /nfs/dbraw/zinc/36/76/27/624367627.db2.gz GTLVXHHFLPQLBH-RYUDHWBXSA-N 1 0 311.813 3.163 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1Cl ZINC000783572458 624368413 /nfs/dbraw/zinc/36/84/13/624368413.db2.gz ITPJCYAORPXVHI-CQSZACIVSA-N 1 0 324.808 3.497 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCSC1 ZINC000783587253 624370966 /nfs/dbraw/zinc/37/09/66/624370966.db2.gz DAMJQZXPZWJPTC-LBPRGKRZSA-N 1 0 300.811 3.276 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(O)cc2)cc1Cl ZINC000783600532 624373234 /nfs/dbraw/zinc/37/32/34/624373234.db2.gz DMKPJWIAXBSILF-UHFFFAOYSA-N 1 0 306.749 3.286 20 5 DGBDRO CC(C)(C)[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000784034514 624425816 /nfs/dbraw/zinc/42/58/16/624425816.db2.gz KRCGRJYARQDCFQ-ZDUSSCGKSA-N 1 0 302.378 3.270 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879239429 624457450 /nfs/dbraw/zinc/45/74/50/624457450.db2.gz APFUKCYAHWKOLK-ZWKOTPCHSA-N 1 0 312.369 3.293 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000879419306 624540434 /nfs/dbraw/zinc/54/04/34/624540434.db2.gz LFOPMJIDEFDDIE-IMJJTQAJSA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000879419302 624540627 /nfs/dbraw/zinc/54/06/27/624540627.db2.gz LFOPMJIDEFDDIE-BMFZPTHFSA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879560653 624589749 /nfs/dbraw/zinc/58/97/49/624589749.db2.gz VJAPHKSXGUFCTD-NWDGAFQWSA-N 1 0 312.822 3.433 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@]1(C)c1ccccc1 ZINC000880371650 624939382 /nfs/dbraw/zinc/93/93/82/624939382.db2.gz MUUWBVVVQMUWPX-QGZVFWFLSA-N 1 0 314.389 3.111 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000786803130 624954857 /nfs/dbraw/zinc/95/48/57/624954857.db2.gz DXXORZCOMXADIE-QWHCGFSZSA-N 1 0 305.378 3.082 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)c1ccc(C)o1 ZINC000786810899 624955366 /nfs/dbraw/zinc/95/53/66/624955366.db2.gz BSDGTRZWOXTDDA-OQRGYWNNSA-N 1 0 316.357 3.223 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H](CC)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000880471765 624963930 /nfs/dbraw/zinc/96/39/30/624963930.db2.gz VIISEBDOXYKFEP-GJZGRUSLSA-N 1 0 322.405 3.288 20 5 DGBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787305558 624999558 /nfs/dbraw/zinc/99/95/58/624999558.db2.gz IRMJIVWWUUDWFI-ARFHVFGLSA-N 1 0 324.446 3.282 20 5 DGBDRO CC(=O)OC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000787406004 625007375 /nfs/dbraw/zinc/00/73/75/625007375.db2.gz JSHRIEZDAXNDBH-RAXLEYEMSA-N 1 0 318.373 3.026 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000788541347 625212429 /nfs/dbraw/zinc/21/24/29/625212429.db2.gz VVXSCAKDGZRFKG-MSOLQXFVSA-N 1 0 314.385 3.443 20 5 DGBDRO C[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788585878 625222044 /nfs/dbraw/zinc/22/20/44/625222044.db2.gz XECCRRJEAJQQNY-JTQLQIEISA-N 1 0 321.327 3.349 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C12CCC2 ZINC000788607057 625227452 /nfs/dbraw/zinc/22/74/52/625227452.db2.gz BWXBDWHCWMWBIC-HFBAOOFYSA-N 1 0 319.405 3.175 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613416 625229753 /nfs/dbraw/zinc/22/97/53/625229753.db2.gz WQMISGCCHDYWRQ-UKRRQHHQSA-N 1 0 320.437 3.092 20 5 DGBDRO C[C@@H]([NH2+]CCOC1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788643900 625235543 /nfs/dbraw/zinc/23/55/43/625235543.db2.gz HPLRGCIXWRTWCD-GFCCVEGCSA-N 1 0 307.394 3.177 20 5 DGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1(C)C ZINC000788751717 625258378 /nfs/dbraw/zinc/25/83/78/625258378.db2.gz SXZFCJVOVLIJPZ-IUIKQTSFSA-N 1 0 321.421 3.420 20 5 DGBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000130585551 625876850 /nfs/dbraw/zinc/87/68/50/625876850.db2.gz JTARUJWQKVRSCO-YGRLFVJLSA-N 1 0 324.764 3.443 20 5 DGBDRO CCOc1cc(N2CCC(C)([NH+]3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000882964193 625878267 /nfs/dbraw/zinc/87/82/67/625878267.db2.gz VQYYAWHYCIDSMO-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO CCCN(CC[NH+]1CCCCC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796468494 626053424 /nfs/dbraw/zinc/05/34/24/626053424.db2.gz XEAKLWNXYAMJCU-UHFFFAOYSA-N 1 0 323.412 3.432 20 5 DGBDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000796491646 626055596 /nfs/dbraw/zinc/05/55/96/626055596.db2.gz XBFJOIKTFMZSLX-GUYCJALGSA-N 1 0 300.358 3.115 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CCC1 ZINC000796532224 626059049 /nfs/dbraw/zinc/05/90/49/626059049.db2.gz BDXHSIYEDYZNGO-UHFFFAOYSA-N 1 0 323.368 3.185 20 5 DGBDRO C[C@H](CO)[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCC1 ZINC000796544622 626061004 /nfs/dbraw/zinc/06/10/04/626061004.db2.gz BRGOEFIEOQSEAZ-LLVKDONJSA-N 1 0 312.797 3.231 20 5 DGBDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000796576055 626063209 /nfs/dbraw/zinc/06/32/09/626063209.db2.gz RLBQIPQMMFEPDN-GOEBONIOSA-N 1 0 306.406 3.386 20 5 DGBDRO CC(C)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000800847086 626379239 /nfs/dbraw/zinc/37/92/39/626379239.db2.gz MEKIWDDJJGPACV-KRWDZBQOSA-N 1 0 320.437 3.345 20 5 DGBDRO Cc1ccccc1[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801600979 626411932 /nfs/dbraw/zinc/41/19/32/626411932.db2.gz XLQICCAHNHJLST-GOSISDBHSA-N 1 0 314.385 3.111 20 5 DGBDRO C=C/C=C/CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000883267430 626630325 /nfs/dbraw/zinc/63/03/25/626630325.db2.gz DVKVLECQMWGABI-MUBLQREKSA-N 1 0 303.362 3.034 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC1(c3ncccn3)CCC1)CCC2 ZINC000883312256 626642314 /nfs/dbraw/zinc/64/23/14/626642314.db2.gz YGZIPDCIUAAYRG-INIZCTEOSA-N 1 0 324.384 3.431 20 5 DGBDRO C[C@H](OC(=O)CC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000803858870 626645174 /nfs/dbraw/zinc/64/51/74/626645174.db2.gz KHKXOZQXMXNSMN-DZGCQCFKSA-N 1 0 320.389 3.464 20 5 DGBDRO C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])OCCc2ccccc21 ZINC000883340499 626653525 /nfs/dbraw/zinc/65/35/25/626653525.db2.gz SJXPJTRQVZUWIL-GOSISDBHSA-N 1 0 312.369 3.173 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883363054 626661812 /nfs/dbraw/zinc/66/18/12/626661812.db2.gz UXAZOLHBSISLHN-AWEZNQCLSA-N 1 0 304.390 3.403 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883367010 626663221 /nfs/dbraw/zinc/66/32/21/626663221.db2.gz FZMHJPSHASFIGE-JLZZUVOBSA-N 1 0 322.380 3.356 20 5 DGBDRO C[C@H]([NH2+]C1CCC2(COC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000883382322 626667186 /nfs/dbraw/zinc/66/71/86/626667186.db2.gz DTTSFBDNGTVJJN-NSHDSACASA-N 1 0 308.353 3.344 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCC2(COC2)CC1 ZINC000883382381 626667599 /nfs/dbraw/zinc/66/75/99/626667599.db2.gz FWVFFGKECFMYCH-LBPRGKRZSA-N 1 0 320.389 3.213 20 5 DGBDRO CC1(C)CC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000804339939 626670694 /nfs/dbraw/zinc/67/06/94/626670694.db2.gz PQUZKFAETUGFGI-UHFFFAOYSA-N 1 0 322.365 3.224 20 5 DGBDRO CCC(CC)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000804340718 626671289 /nfs/dbraw/zinc/67/12/89/626671289.db2.gz ILLFNNBSFFOIJF-QGZVFWFLSA-N 1 0 320.437 3.490 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+]1CCCCC1 ZINC000804347188 626671650 /nfs/dbraw/zinc/67/16/50/626671650.db2.gz AKCPCEXZXZQTCB-LBPRGKRZSA-N 1 0 305.378 3.084 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000804442096 626680118 /nfs/dbraw/zinc/68/01/18/626680118.db2.gz MSMXEBQVGCAHOI-CYBMUJFWSA-N 1 0 309.797 3.313 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000132590604 626727956 /nfs/dbraw/zinc/72/79/56/626727956.db2.gz SHWZLEVOHFMEIM-KGLIPLIRSA-N 1 0 312.460 3.484 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)C[NH+]1CCCCC1 ZINC000807925082 626777815 /nfs/dbraw/zinc/77/78/15/626777815.db2.gz HCVQYPVVFIYQAU-GFCCVEGCSA-N 1 0 305.378 3.084 20 5 DGBDRO Cc1cc(F)cc(C(=O)OCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000800179306 626820191 /nfs/dbraw/zinc/82/01/91/626820191.db2.gz NTXVABBWOGNAOX-UHFFFAOYSA-N 1 0 324.352 3.075 20 5 DGBDRO Cc1ccc([C@@H](C)NC(=O)C(C)(C)[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000884171191 626844089 /nfs/dbraw/zinc/84/40/89/626844089.db2.gz PFBXHKFIOPMTSI-IUODEOHRSA-N 1 0 321.421 3.090 20 5 DGBDRO C[C@H](C[C@H]1CCOC1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808727534 626854197 /nfs/dbraw/zinc/85/41/97/626854197.db2.gz HCQXYCFUSCJGFD-CHWSQXEVSA-N 1 0 317.389 3.023 20 5 DGBDRO Cc1cc(NCc2cc(C3CC3)no2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000884637959 626917874 /nfs/dbraw/zinc/91/78/74/626917874.db2.gz HCFAUUXJPLJXBO-UHFFFAOYSA-N 1 0 324.340 3.351 20 5 DGBDRO Cc1[nH]c(C2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884707772 626932360 /nfs/dbraw/zinc/93/23/60/626932360.db2.gz YYBOMPDSCFYGII-UHFFFAOYSA-N 1 0 315.377 3.022 20 5 DGBDRO [NH3+]CCN(Cc1cc(Cl)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000809734480 626942994 /nfs/dbraw/zinc/94/29/94/626942994.db2.gz HNIQMTANLONWJC-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO C[C@H](Cc1ccsc1)N(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734850 626943447 /nfs/dbraw/zinc/94/34/47/626943447.db2.gz MHDQUMDHMZTGLH-GFCCVEGCSA-N 1 0 305.403 3.053 20 5 DGBDRO [NH3+]CCN(Cc1cc(Cl)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000809734893 626943616 /nfs/dbraw/zinc/94/36/16/626943616.db2.gz NHLZFFKWVMNIDO-UHFFFAOYSA-N 1 0 311.794 3.275 20 5 DGBDRO [NH3+]CCN(C[C@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734952 626943662 /nfs/dbraw/zinc/94/36/62/626943662.db2.gz OLXDYXWKPBYEFW-QAPCUYQASA-N 1 0 311.385 3.164 20 5 DGBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766463 626948970 /nfs/dbraw/zinc/94/89/70/626948970.db2.gz XYFIINSNHRDQRN-RISCZKNCSA-N 1 0 311.813 3.020 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809792784 626954543 /nfs/dbraw/zinc/95/45/43/626954543.db2.gz GVSSCQRMKZBVDH-LBPRGKRZSA-N 1 0 313.829 3.458 20 5 DGBDRO CC1(C2CC2)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000810064863 626973728 /nfs/dbraw/zinc/97/37/28/626973728.db2.gz YBTQUOXNVFWOLD-INIZCTEOSA-N 1 0 304.390 3.140 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000810180221 626985150 /nfs/dbraw/zinc/98/51/50/626985150.db2.gz QYXRTBXDQHFMOR-GFCCVEGCSA-N 1 0 313.829 3.458 20 5 DGBDRO COc1ccc([C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C2CC2)cc1 ZINC000886114586 627107498 /nfs/dbraw/zinc/10/74/98/627107498.db2.gz SMLUKIXPYWEAJT-MRXNPFEDSA-N 1 0 313.357 3.239 20 5 DGBDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886200627 627120501 /nfs/dbraw/zinc/12/05/01/627120501.db2.gz UISDXWPCXQHDOR-UONOGXRCSA-N 1 0 307.394 3.063 20 5 DGBDRO CC(C)([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1ccccc1[N+](=O)[O-] ZINC000886215505 627122211 /nfs/dbraw/zinc/12/22/11/627122211.db2.gz LJNPTQMGAHFXNS-BBRMVZONSA-N 1 0 304.390 3.377 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000886318393 627136350 /nfs/dbraw/zinc/13/63/50/627136350.db2.gz RTKQQOUGGQMEPX-CQSZACIVSA-N 1 0 320.389 3.042 20 5 DGBDRO C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC2(CCC2)C1 ZINC000886345407 627141095 /nfs/dbraw/zinc/14/10/95/627141095.db2.gz ZNKGTKCZTRKDIQ-INIZCTEOSA-N 1 0 304.390 3.424 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871981 627211637 /nfs/dbraw/zinc/21/16/37/627211637.db2.gz GPXDJMXZZZRNBW-RHSMWYFYSA-N 1 0 303.406 3.121 20 5 DGBDRO C[N@H+](CCCF)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000887142538 627229350 /nfs/dbraw/zinc/22/93/50/627229350.db2.gz OQAKTHOAHITHFF-UHFFFAOYSA-N 1 0 305.147 3.149 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(C2CC2)CCC1 ZINC000887147508 627229629 /nfs/dbraw/zinc/22/96/29/627229629.db2.gz PRTPOFRHSFTRKG-UHFFFAOYSA-N 1 0 317.389 3.154 20 5 DGBDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000811479958 627279733 /nfs/dbraw/zinc/27/97/33/627279733.db2.gz OFGUNHXEWJLEQE-CYBMUJFWSA-N 1 0 319.188 3.152 20 5 DGBDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811480547 627279800 /nfs/dbraw/zinc/27/98/00/627279800.db2.gz XVSFQTUSAGSITA-QPUJVOFHSA-N 1 0 321.204 3.398 20 5 DGBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000811519008 627287105 /nfs/dbraw/zinc/28/71/05/627287105.db2.gz RQMLJCJUDQLOFW-AWEZNQCLSA-N 1 0 312.797 3.135 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000811706257 627309137 /nfs/dbraw/zinc/30/91/37/627309137.db2.gz WTQLXVXUDYNNRN-GFCCVEGCSA-N 1 0 324.450 3.002 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000811848428 627329686 /nfs/dbraw/zinc/32/96/86/627329686.db2.gz DSERMNILUQVKSQ-GFCCVEGCSA-N 1 0 307.394 3.330 20 5 DGBDRO C[C@H]1CCC[N@@H+]1CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000840270479 627429909 /nfs/dbraw/zinc/42/99/09/627429909.db2.gz PGLRKGKFRCCERO-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO CCC/C=C/C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173084 627461625 /nfs/dbraw/zinc/46/16/25/627461625.db2.gz UIBJNSPAPSAJDE-YCOJEUHLSA-N 1 0 318.373 3.069 20 5 DGBDRO CCCCCC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170236 627461654 /nfs/dbraw/zinc/46/16/54/627461654.db2.gz ABTJJMHQDFFMQJ-INIZCTEOSA-N 1 0 320.389 3.293 20 5 DGBDRO COC(=O)[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC(C)C ZINC000813333373 627479395 /nfs/dbraw/zinc/47/93/95/627479395.db2.gz MGEZPKNIQUDJCI-LYASGUKUSA-N 1 0 320.389 3.033 20 5 DGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000813630784 627504603 /nfs/dbraw/zinc/50/46/03/627504603.db2.gz QZAFEHCHDFEFTL-LBPRGKRZSA-N 1 0 307.369 3.045 20 5 DGBDRO Cc1c(-c2noc([C@@H]3CCC[N@H+]3C(C)C)n2)cccc1[N+](=O)[O-] ZINC000924093572 627601608 /nfs/dbraw/zinc/60/16/08/627601608.db2.gz TZMCLMGLELKCSH-AWEZNQCLSA-N 1 0 316.361 3.499 20 5 DGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000814909363 627606396 /nfs/dbraw/zinc/60/63/96/627606396.db2.gz KAYJBNUJAKHVAV-OAHLLOKOSA-N 1 0 309.797 3.170 20 5 DGBDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000815148014 627637305 /nfs/dbraw/zinc/63/73/05/627637305.db2.gz ZRVHIRFQPUWZFY-OAHLLOKOSA-N 1 0 312.797 3.279 20 5 DGBDRO CCO[C@@H](CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000815585205 627687626 /nfs/dbraw/zinc/68/76/26/627687626.db2.gz AWCNTQIJJJUMDK-LRDDRELGSA-N 1 0 309.410 3.279 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583978 627688008 /nfs/dbraw/zinc/68/80/08/627688008.db2.gz SBKPMUYHMKQMFD-PBXWNFIWSA-N 1 0 319.405 3.031 20 5 DGBDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1(C)C ZINC000815585739 627688474 /nfs/dbraw/zinc/68/84/74/627688474.db2.gz QSLDIZOASUWRFE-QSGSBWRWSA-N 1 0 307.394 3.031 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CO2 ZINC000815596348 627689188 /nfs/dbraw/zinc/68/91/88/627689188.db2.gz QWNJMAAIISWUBZ-IAQYHMDHSA-N 1 0 313.357 3.270 20 5 DGBDRO COC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000815593070 627689203 /nfs/dbraw/zinc/68/92/03/627689203.db2.gz APXQITKIXODWPN-WBMJQRKESA-N 1 0 315.373 3.215 20 5 DGBDRO C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc2c1OCO2 ZINC000925311857 627729125 /nfs/dbraw/zinc/72/91/25/627729125.db2.gz WLNBCJVACIWFQF-LLVKDONJSA-N 1 0 300.314 3.174 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000925691603 627777285 /nfs/dbraw/zinc/77/72/85/627777285.db2.gz IWDHUWDUTQGOTA-BYNSBNAKSA-N 1 0 304.390 3.451 20 5 DGBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000816642205 627818119 /nfs/dbraw/zinc/81/81/19/627818119.db2.gz RVYVZPWLKUKROR-INIZCTEOSA-N 1 0 323.824 3.166 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CCC([NH+](C)C)CC2)c1 ZINC000817125391 627858143 /nfs/dbraw/zinc/85/81/43/627858143.db2.gz QYOCXYNMVZGSCQ-UHFFFAOYSA-N 1 0 311.357 3.027 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000817282439 627876357 /nfs/dbraw/zinc/87/63/57/627876357.db2.gz FDEPHYYNUFPUJC-NVXWUHKLSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817907887 627958513 /nfs/dbraw/zinc/95/85/13/627958513.db2.gz YNWXZGMCTGSALB-FVQBIDKESA-N 1 0 323.824 3.259 20 5 DGBDRO CCC[C@H](O)CC[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000927017898 627999022 /nfs/dbraw/zinc/99/90/22/627999022.db2.gz NBZYSTVYCKZTIE-OCCSQVGLSA-N 1 0 310.394 3.195 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cccc1[N+](=O)[O-] ZINC000927056318 628004201 /nfs/dbraw/zinc/00/42/01/628004201.db2.gz CIDPWUXNANHSFU-GVAFMPQTSA-N 1 0 320.389 3.236 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000927065073 628006194 /nfs/dbraw/zinc/00/61/94/628006194.db2.gz DQGBMVGXURIDCA-SKDZVZGDSA-N 1 0 316.401 3.377 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927159075 628028910 /nfs/dbraw/zinc/02/89/10/628028910.db2.gz KZJYPTIEVRRKTM-MLGOLLRUSA-N 1 0 320.389 3.356 20 5 DGBDRO Cc1ccc([C@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819089823 628090600 /nfs/dbraw/zinc/09/06/00/628090600.db2.gz UZPFKXVKFJMANF-KDOFPFPSSA-N 1 0 314.385 3.330 20 5 DGBDRO Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000819112934 628094552 /nfs/dbraw/zinc/09/45/52/628094552.db2.gz JULGVDUHLGGKEC-SJKOYZFVSA-N 1 0 318.373 3.141 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000819383035 628144799 /nfs/dbraw/zinc/14/47/99/628144799.db2.gz KVBFNAXHILCAKB-YSVLISHTSA-N 1 0 304.390 3.187 20 5 DGBDRO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000820581366 628274278 /nfs/dbraw/zinc/27/42/78/628274278.db2.gz RIRMGGNZLNXVFA-UHFFFAOYSA-N 1 0 309.797 3.170 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc3nonc3c2)C2CC2)cc1 ZINC000821401095 628363700 /nfs/dbraw/zinc/36/37/00/628363700.db2.gz ABVMVEITOJYXGW-UHFFFAOYSA-N 1 0 324.340 3.296 20 5 DGBDRO Cc1cc(-c2noc([C@H]3C[C@@H](C)CC[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000823269175 628544210 /nfs/dbraw/zinc/54/42/10/628544210.db2.gz DGRZLBQAGKCFGC-TVQRCGJNSA-N 1 0 302.334 3.014 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823585757 628576597 /nfs/dbraw/zinc/57/65/97/628576597.db2.gz QVKBUHFGXLQZBK-RDTXWAMCSA-N 1 0 314.385 3.495 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CF)CCOCC2)cc1Cl ZINC000824795024 628694784 /nfs/dbraw/zinc/69/47/84/628694784.db2.gz LERSEDXRFGPPIG-UHFFFAOYSA-N 1 0 316.760 3.104 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)cc1 ZINC000824820717 628697719 /nfs/dbraw/zinc/69/77/19/628697719.db2.gz LCKCDYOSKWGMRW-DOTOQJQBSA-N 1 0 302.374 3.467 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H](C)O ZINC000824920876 628707337 /nfs/dbraw/zinc/70/73/37/628707337.db2.gz AMGIFNYVDNETRJ-HQJQHLMTSA-N 1 0 307.177 3.151 20 5 DGBDRO CC[C@H](COC)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000825298020 628747427 /nfs/dbraw/zinc/74/74/27/628747427.db2.gz SMAHBRSXLMBHPY-SNVBAGLBSA-N 1 0 307.177 3.416 20 5 DGBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825321574 628749027 /nfs/dbraw/zinc/74/90/27/628749027.db2.gz HLRYTCJNGXHHCF-GFCCVEGCSA-N 1 0 312.797 3.497 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825339076 628751509 /nfs/dbraw/zinc/75/15/09/628751509.db2.gz ZVUYECBCPRNCRG-CYBMUJFWSA-N 1 0 311.813 3.163 20 5 DGBDRO C[C@@H](O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000827857224 628997502 /nfs/dbraw/zinc/99/75/02/628997502.db2.gz ZBFJSXCADKRFIB-BDJLRTHQSA-N 1 0 320.776 3.460 20 5 DGBDRO C[N@H+](CCC[C@@H]1CCOC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000828021482 629015616 /nfs/dbraw/zinc/01/56/16/629015616.db2.gz RZUGLTJKZCBSEJ-GFCCVEGCSA-N 1 0 312.797 3.497 20 5 DGBDRO CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830155835 629232011 /nfs/dbraw/zinc/23/20/11/629232011.db2.gz MFZODGSURLRHHX-KBPBESRZSA-N 1 0 321.421 3.330 20 5 DGBDRO CCOCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102422999 630104748 /nfs/dbraw/zinc/10/47/48/630104748.db2.gz PVFMAQYDINCRLP-UHFFFAOYSA-N 1 0 306.387 3.449 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000837574602 630278159 /nfs/dbraw/zinc/27/81/59/630278159.db2.gz ZIBUAUDCJVHDFL-CYBMUJFWSA-N 1 0 324.352 3.154 20 5 DGBDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CS1 ZINC000840857643 630367804 /nfs/dbraw/zinc/36/78/04/630367804.db2.gz YJCDORIXNKTGMQ-JSGCOSHPSA-N 1 0 321.446 3.047 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CS1 ZINC000840857644 630367866 /nfs/dbraw/zinc/36/78/66/630367866.db2.gz YJCDORIXNKTGMQ-OCCSQVGLSA-N 1 0 321.446 3.047 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1ccco1)CCCC2 ZINC000841744439 630461316 /nfs/dbraw/zinc/46/13/16/630461316.db2.gz NWVMJNNEFHRJDO-HZPDHXFCSA-N 1 0 316.357 3.279 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H](C(C)C)[C@H](C)[NH3+])n1 ZINC000841826688 630469648 /nfs/dbraw/zinc/46/96/48/630469648.db2.gz HIIGIGZMGDOHGI-GWCFXTLKSA-N 1 0 304.350 3.040 20 5 DGBDRO [NH3+]C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000842476765 630540194 /nfs/dbraw/zinc/54/01/94/630540194.db2.gz VCBSWTNVDFPATM-CQSZACIVSA-N 1 0 311.813 3.245 20 5 DGBDRO Cc1cc(F)cc(-c2nc([C@@H]([NH3+])CC(C)C)no2)c1[N+](=O)[O-] ZINC000842586128 630550369 /nfs/dbraw/zinc/55/03/69/630550369.db2.gz NLSIHIBLKVGYJE-NSHDSACASA-N 1 0 308.313 3.138 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CO1 ZINC000843432237 630658258 /nfs/dbraw/zinc/65/82/58/630658258.db2.gz KQABCTIBUSMWAI-XCBNKYQSSA-N 1 0 305.161 3.169 20 5 DGBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CO1 ZINC000843432236 630658317 /nfs/dbraw/zinc/65/83/17/630658317.db2.gz KQABCTIBUSMWAI-OIBJUYFYSA-N 1 0 305.161 3.169 20 5 DGBDRO O=[N+]([O-])c1cc(OCc2ccc3c(c2)C[NH2+]CC3)ccc1Cl ZINC000844299715 630716882 /nfs/dbraw/zinc/71/68/82/630716882.db2.gz FIQGDKPZQPJOMM-UHFFFAOYSA-N 1 0 318.760 3.473 20 5 DGBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000844375962 630722648 /nfs/dbraw/zinc/72/26/48/630722648.db2.gz AHCHKBLWWAUENQ-IINYFYTJSA-N 1 0 300.786 3.135 20 5 DGBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000844375964 630722844 /nfs/dbraw/zinc/72/28/44/630722844.db2.gz AHCHKBLWWAUENQ-YGRLFVJLSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CNc3ccccc3C2)cc1Cl ZINC000844906622 630972744 /nfs/dbraw/zinc/97/27/44/630972744.db2.gz VMMBBIIHBVIALU-ZDUSSCGKSA-N 1 0 317.776 3.375 20 5 DGBDRO Cc1c(-c2noc([C@@H]3CC[C@H](C4CC4)[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000844918828 630980961 /nfs/dbraw/zinc/98/09/61/630980961.db2.gz FYARDBQBHQTMBS-OLZOCXBDSA-N 1 0 314.345 3.156 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000105908906 631175035 /nfs/dbraw/zinc/17/50/35/631175035.db2.gz LPXKLQTZUFQAAA-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846038918 631207508 /nfs/dbraw/zinc/20/75/08/631207508.db2.gz OJFZWUVMNISYNA-RDTXWAMCSA-N 1 0 314.385 3.289 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)cc1F ZINC000846907457 631347954 /nfs/dbraw/zinc/34/79/54/631347954.db2.gz HJSUZJYZAHBYHQ-AWEZNQCLSA-N 1 0 301.321 3.118 20 5 DGBDRO Cc1cc(OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c(C)[nH+]1 ZINC000848515964 631673013 /nfs/dbraw/zinc/67/30/13/631673013.db2.gz WLJNBAJPNBSNHF-UHFFFAOYSA-N 1 0 317.301 3.402 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000848761495 631743749 /nfs/dbraw/zinc/74/37/49/631743749.db2.gz VGBUSFOPLQPXAS-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848783983 631748395 /nfs/dbraw/zinc/74/83/95/631748395.db2.gz JLZRCSQCKDFWDP-DZGCQCFKSA-N 1 0 323.368 3.171 20 5 DGBDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCc1cccc([N+](=O)[O-])c1 ZINC000849001468 631802348 /nfs/dbraw/zinc/80/23/48/631802348.db2.gz HAHIPVHREFTMOJ-CQSZACIVSA-N 1 0 320.437 3.466 20 5 DGBDRO Cc1cc(C)cc(NC(=[NH2+])NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000849001514 631803315 /nfs/dbraw/zinc/80/33/15/631803315.db2.gz QWDQBEBGCWAHTI-UHFFFAOYSA-N 1 0 312.373 3.391 20 5 DGBDRO COc1cccc(NC(=[NH2+])NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000849093287 631833405 /nfs/dbraw/zinc/83/34/05/631833405.db2.gz WOGOKLYQPFEAER-UHFFFAOYSA-N 1 0 314.345 3.048 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000850351735 632121844 /nfs/dbraw/zinc/12/18/44/632121844.db2.gz SGFMPSPOPRQFLZ-CYBMUJFWSA-N 1 0 311.813 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1COC3(CCC3)C1)CCC2 ZINC000850523220 632179008 /nfs/dbraw/zinc/17/90/08/632179008.db2.gz CTSGTZVYKGYNSV-CJNGLKHVSA-N 1 0 302.374 3.273 20 5 DGBDRO CC1(C)OC[C@@H](CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000851816536 632502462 /nfs/dbraw/zinc/50/24/62/632502462.db2.gz ILWVSKJPJRFITB-MRXNPFEDSA-N 1 0 320.389 3.101 20 5 DGBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852425289 632602185 /nfs/dbraw/zinc/60/21/85/632602185.db2.gz JEQNUEKDWTYHBE-RISCZKNCSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852422934 632602817 /nfs/dbraw/zinc/60/28/17/632602817.db2.gz NTVNJQGWCCSNGJ-SMDDNHRTSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1SCCS1 ZINC000703090252 660762169 /nfs/dbraw/zinc/76/21/69/660762169.db2.gz SVVSKBDGESMEFQ-UHFFFAOYSA-N 1 0 304.824 3.144 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000049963358 655628324 /nfs/dbraw/zinc/62/83/24/655628324.db2.gz XUOUMHLFRIIECA-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO C[N@@H+]1CCC[C@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000234346701 655722982 /nfs/dbraw/zinc/72/29/82/655722982.db2.gz UXQZOFFKZSETEG-SECBINFHSA-N 1 0 301.749 3.141 20 5 DGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)c(F)c1 ZINC000051323001 655727942 /nfs/dbraw/zinc/72/79/42/655727942.db2.gz DJSIWHXSDRQEQQ-INIZCTEOSA-N 1 0 322.311 3.038 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000176202816 655744884 /nfs/dbraw/zinc/74/48/84/655744884.db2.gz BEASSNRDVHMLMS-CHWSQXEVSA-N 1 0 300.362 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934333010 655768358 /nfs/dbraw/zinc/76/83/58/655768358.db2.gz JCRXFQLZSKMLLI-ZDUSSCGKSA-N 1 0 303.387 3.116 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCCCC1 ZINC000003538900 655947496 /nfs/dbraw/zinc/94/74/96/655947496.db2.gz XYOCCXTUQOPDFQ-ZDUSSCGKSA-N 1 0 305.378 3.188 20 5 DGBDRO [NH3+]CC[C@H]1CCCCN1c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000236255866 655950459 /nfs/dbraw/zinc/95/04/59/655950459.db2.gz MAQUIYLICQXBNB-SECBINFHSA-N 1 0 301.749 3.095 20 5 DGBDRO C[C@@H](C[NH+]1CCCCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000037153730 661217104 /nfs/dbraw/zinc/21/71/04/661217104.db2.gz UUCRJEBGVOHSJY-LBPRGKRZSA-N 1 0 311.813 3.212 20 5 DGBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000752074880 658016564 /nfs/dbraw/zinc/01/65/64/658016564.db2.gz JAAQRYQMUOTFNT-ZBFHGGJFSA-N 1 0 310.369 3.369 20 5 DGBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172180326 659322814 /nfs/dbraw/zinc/32/28/14/659322814.db2.gz VKKBWRCGBPKTRB-CABCVRRESA-N 1 0 312.797 3.374 20 5 DGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000173958291 659406499 /nfs/dbraw/zinc/40/64/99/659406499.db2.gz QFIDZOVAXAOEFM-HNNXBMFYSA-N 1 0 309.385 3.040 20 5 DGBDRO Cc1cccc([C@H](O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000930439867 661398513 /nfs/dbraw/zinc/39/85/13/661398513.db2.gz KFWXXQZDJIGDEW-GOSISDBHSA-N 1 0 314.385 3.111 20 5 DGBDRO COC/C(C)=C\C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930636370 661417606 /nfs/dbraw/zinc/41/76/06/661417606.db2.gz GBNKLPDGXXFOKR-MBSJSRAVSA-N 1 0 304.390 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3ncco3)CC2)cc1 ZINC000931449548 661477509 /nfs/dbraw/zinc/47/75/09/661477509.db2.gz VSHLENNPWDVAPD-UHFFFAOYSA-N 1 0 301.346 3.005 20 5 DGBDRO Cc1ccc(C[NH+]2CCC(c3ccn(C)n3)CC2)cc1[N+](=O)[O-] ZINC000932141481 661541525 /nfs/dbraw/zinc/54/15/25/661541525.db2.gz KJNVPFCGVWBXRK-UHFFFAOYSA-N 1 0 314.389 3.016 20 5 DGBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000932560174 661579462 /nfs/dbraw/zinc/57/94/62/661579462.db2.gz FMHBRWQHPRHCNS-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)cc1 ZINC000932888748 661606230 /nfs/dbraw/zinc/60/62/30/661606230.db2.gz LITUVUWJUOMWLH-NXHRZFHOSA-N 1 0 316.401 3.139 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1C ZINC000933484407 661636139 /nfs/dbraw/zinc/63/61/39/661636139.db2.gz JYHQHLIRVLAGGA-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnn(CC2CCC2)c1 ZINC000934553994 661714618 /nfs/dbraw/zinc/71/46/18/661714618.db2.gz OFMZBDLEQAAPSV-CYBMUJFWSA-N 1 0 314.389 3.442 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCOc1ccccc1 ZINC000084439727 662200645 /nfs/dbraw/zinc/20/06/45/662200645.db2.gz FTICJVFGHFGFDO-UHFFFAOYSA-N 1 0 306.749 3.417 20 5 DGBDRO CCC(=O)c1ccc(N(C)C2(C[NH3+])CCCCC2)c([N+](=O)[O-])c1 ZINC001576931745 1191876258 /nfs/dbraw/zinc/87/62/58/1191876258.db2.gz HQEZQQWUHUHYMD-UHFFFAOYSA-N 1 0 319.405 3.285 20 5 DGBDRO Cn1cc(C[N@H+](C)C2CC(C)(C)CC(C)(C)C2)c([N+](=O)[O-])n1 ZINC001620311320 1191919869 /nfs/dbraw/zinc/91/98/69/1191919869.db2.gz AMFXDKDMWZNBIU-UHFFFAOYSA-N 1 0 308.426 3.365 20 5 DGBDRO Cc1c(NC(=O)[C@H]([NH3+])C2CCCCCC2)cccc1[N+](=O)[O-] ZINC001579538241 1191979246 /nfs/dbraw/zinc/97/92/46/1191979246.db2.gz RLLXWRRATIZPJS-OAHLLOKOSA-N 1 0 305.378 3.139 20 5 DGBDRO COc1ccc(C[NH2+]CCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC001620792436 1192006772 /nfs/dbraw/zinc/00/67/72/1192006772.db2.gz ZCXCNDDRMZQXDY-UHFFFAOYSA-N 1 0 322.311 3.214 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001580177384 1192012217 /nfs/dbraw/zinc/01/22/17/1192012217.db2.gz WHNHKZXMNGJQQZ-IUCAKERBSA-N 1 0 303.284 3.295 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(OC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001580874611 1192043354 /nfs/dbraw/zinc/04/33/54/1192043354.db2.gz FPUSRAIEARPGBA-MRVPVSSYSA-N 1 0 305.161 3.280 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@]23CCC[C@H]2[NH2+]CC3)cc1C(F)(F)F ZINC001580876032 1192043429 /nfs/dbraw/zinc/04/34/29/1192043429.db2.gz XSGSXXRYDURVSI-CHWSQXEVSA-N 1 0 315.295 3.310 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC001620920297 1192608552 /nfs/dbraw/zinc/60/85/52/1192608552.db2.gz JHINNXJFEJVXIF-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001332280178 1178410938 /nfs/dbraw/zinc/41/09/38/1178410938.db2.gz ZXTAPDFZOBDCDC-STQMWFEESA-N 1 0 309.385 3.116 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC2(CC2(F)F)C1 ZINC001333846316 1178684501 /nfs/dbraw/zinc/68/45/01/1178684501.db2.gz JPEYZMMAYRYEEO-UHFFFAOYSA-N 1 0 312.316 3.271 20 5 DGBDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccc(N)c([N+](=O)[O-])c1 ZINC001334728471 1178787413 /nfs/dbraw/zinc/78/74/13/1178787413.db2.gz DJJBYECPJANHKH-SMHCIBLRSA-N 1 0 307.419 3.254 20 5 DGBDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC001336048766 1178985863 /nfs/dbraw/zinc/98/58/63/1178985863.db2.gz YLQXOAGAOWHVGK-VIFPVBQESA-N 1 0 309.366 3.185 20 5 DGBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001343596303 1179302345 /nfs/dbraw/zinc/30/23/45/1179302345.db2.gz OBCCETNMLDOSAF-HUUCEWRRSA-N 1 0 320.389 3.150 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2C[C@H](C)CC[NH2+]2)n1 ZINC001349006748 1179864758 /nfs/dbraw/zinc/86/47/58/1179864758.db2.gz XXNHWZWSDYYDPL-RNCFNFMXSA-N 1 0 316.361 3.322 20 5 DGBDRO O=[N+]([O-])c1cccnc1NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001472843944 1180907602 /nfs/dbraw/zinc/90/76/02/1180907602.db2.gz XKVKVQAZCKGTHQ-UHFFFAOYSA-N 1 0 321.340 3.162 20 5 DGBDRO Cc1cc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001355361884 1181043668 /nfs/dbraw/zinc/04/36/68/1181043668.db2.gz HNQPIIYEZZLOJC-KKUMJFAQSA-N 1 0 303.406 3.070 20 5 DGBDRO CC(C)([NH2+]Cc1cn2ccnc2s1)c1ccccc1[N+](=O)[O-] ZINC001356037977 1181130364 /nfs/dbraw/zinc/13/03/64/1181130364.db2.gz KIIQRYSSBJCBIS-UHFFFAOYSA-N 1 0 316.386 3.329 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCOC12CCCC2 ZINC001356045767 1181132060 /nfs/dbraw/zinc/13/20/60/1181132060.db2.gz KEHFZKDRWKTWHQ-GOEBONIOSA-N 1 0 302.374 3.273 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC001473365961 1181481228 /nfs/dbraw/zinc/48/12/28/1181481228.db2.gz YBMGMBNLBBAAOL-STQMWFEESA-N 1 0 319.405 3.290 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001473365958 1181481591 /nfs/dbraw/zinc/48/15/91/1181481591.db2.gz YBMGMBNLBBAAOL-CHWSQXEVSA-N 1 0 319.405 3.290 20 5 DGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001474626525 1181595437 /nfs/dbraw/zinc/59/54/37/1181595437.db2.gz NGOXYFOSFUMRAD-SIUPPRGNSA-N 1 0 318.417 3.463 20 5 DGBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001458053637 1182492050 /nfs/dbraw/zinc/49/20/50/1182492050.db2.gz FMAYGXKKZMJYPZ-JTQLQIEISA-N 1 0 313.785 3.153 20 5 DGBDRO C[NH+](C)[C@H]1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1(C)C ZINC001458450640 1182524720 /nfs/dbraw/zinc/52/47/20/1182524720.db2.gz HZTBSGRGMAZNTA-GJZGRUSLSA-N 1 0 314.389 3.284 20 5 DGBDRO C[C@@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001460201249 1182662167 /nfs/dbraw/zinc/66/21/67/1182662167.db2.gz HHRVTKFOILPUET-CQSZACIVSA-N 1 0 320.437 3.184 20 5 DGBDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001460770105 1182720208 /nfs/dbraw/zinc/72/02/08/1182720208.db2.gz WBCLCHPYGARQCT-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CCO)C1CCCC1 ZINC001460850502 1182730741 /nfs/dbraw/zinc/73/07/41/1182730741.db2.gz HKZWPXQFNXLHIO-DYVFJYSZSA-N 1 0 306.406 3.495 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CCO)C1CCCC1 ZINC001460850505 1182730789 /nfs/dbraw/zinc/73/07/89/1182730789.db2.gz HKZWPXQFNXLHIO-SUMWQHHRSA-N 1 0 306.406 3.495 20 5 DGBDRO Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC001461381710 1182802565 /nfs/dbraw/zinc/80/25/65/1182802565.db2.gz JBGMSHHPWXEUMX-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001461503154 1182820897 /nfs/dbraw/zinc/82/08/97/1182820897.db2.gz TTXZRXNKNMUMGN-ZJUUUORDSA-N 1 0 313.195 3.493 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cccc1[N+](=O)[O-] ZINC001461648568 1182837778 /nfs/dbraw/zinc/83/77/78/1182837778.db2.gz PGFSTQCJDXQATH-BPQIPLTHSA-N 1 0 312.344 3.470 20 5 DGBDRO C[C@H](CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[NH+](C)C ZINC001461661602 1182839430 /nfs/dbraw/zinc/83/94/30/1182839430.db2.gz GOFHCGYYCLWUII-CYBMUJFWSA-N 1 0 317.389 3.285 20 5 DGBDRO COc1ccccc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001461784464 1182853269 /nfs/dbraw/zinc/85/32/69/1182853269.db2.gz BEXMUEWFHJCISJ-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO CCC[C@H](O)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001461799195 1182856308 /nfs/dbraw/zinc/85/63/08/1182856308.db2.gz UQAIQRQBOFZFAC-HNNXBMFYSA-N 1 0 318.373 3.496 20 5 DGBDRO CCCN(CC[NH+]1CCCCCC1)c1ncc(C)cc1[N+](=O)[O-] ZINC001472799023 1183682241 /nfs/dbraw/zinc/68/22/41/1183682241.db2.gz GFUCENPFQOTKTH-UHFFFAOYSA-N 1 0 320.437 3.391 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001472894176 1183696744 /nfs/dbraw/zinc/69/67/44/1183696744.db2.gz AMLOWPWGBOGWFG-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO CC(=O)c1ccc(N[C@@H](CC(C)C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001472897563 1183698072 /nfs/dbraw/zinc/69/80/72/1183698072.db2.gz PVBJDEZVRSCMNA-AWEZNQCLSA-N 1 0 307.394 3.186 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC001473187896 1183725388 /nfs/dbraw/zinc/72/53/88/1183725388.db2.gz UJZXPVCWKQKKEH-WBVHZDCISA-N 1 0 322.405 3.239 20 5 DGBDRO CC[NH+](CC)CCN(Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC001473210762 1183730239 /nfs/dbraw/zinc/73/02/39/1183730239.db2.gz CHUJLBKFSKRXIU-UHFFFAOYSA-N 1 0 307.438 3.395 20 5 DGBDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001473337245 1183745459 /nfs/dbraw/zinc/74/54/59/1183745459.db2.gz CRRJAATYLCUQJI-LBPRGKRZSA-N 1 0 310.357 3.332 20 5 DGBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001473342910 1183746270 /nfs/dbraw/zinc/74/62/70/1183746270.db2.gz UBCIYNZTTJJCAU-HNNXBMFYSA-N 1 0 320.368 3.288 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC001473805989 1183806009 /nfs/dbraw/zinc/80/60/09/1183806009.db2.gz KULDTLROMSDLAI-QGZVFWFLSA-N 1 0 316.332 3.390 20 5 DGBDRO CCCCC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001473871360 1183816366 /nfs/dbraw/zinc/81/63/66/1183816366.db2.gz SAKFCJYGQMAIDT-UHFFFAOYSA-N 1 0 305.378 3.236 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1CCOCC12CCCC2 ZINC001473893502 1183819889 /nfs/dbraw/zinc/81/98/89/1183819889.db2.gz QGADMBKECOUJNR-HNNXBMFYSA-N 1 0 308.353 3.173 20 5 DGBDRO C[C@H](C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC001473956944 1183837591 /nfs/dbraw/zinc/83/75/91/1183837591.db2.gz CZMRHAGNIUHFLB-SECBINFHSA-N 1 0 313.195 3.493 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC001474136830 1183873465 /nfs/dbraw/zinc/87/34/65/1183873465.db2.gz RFUWLPVXYWEUNZ-QGZVFWFLSA-N 1 0 319.449 3.422 20 5 DGBDRO CC[C@H]1CCCCC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001474321796 1183903975 /nfs/dbraw/zinc/90/39/75/1183903975.db2.gz SVYUPRYMAZKSCT-ZDUSSCGKSA-N 1 0 308.378 3.464 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC001474381381 1183913480 /nfs/dbraw/zinc/91/34/80/1183913480.db2.gz XSCHLJMFQAOXNN-GFCCVEGCSA-N 1 0 308.378 3.177 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC001474381382 1183913588 /nfs/dbraw/zinc/91/35/88/1183913588.db2.gz XSCHLJMFQAOXNN-LBPRGKRZSA-N 1 0 308.378 3.177 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001474414007 1183917459 /nfs/dbraw/zinc/91/74/59/1183917459.db2.gz JABUCFVUQRDMKQ-HNNXBMFYSA-N 1 0 305.422 3.128 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1 ZINC001474438263 1183922596 /nfs/dbraw/zinc/92/25/96/1183922596.db2.gz FDRQDAFSPINJQF-AWEZNQCLSA-N 1 0 320.295 3.139 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001611860913 1193442449 /nfs/dbraw/zinc/44/24/49/1193442449.db2.gz MGHHJZHLAHYPKV-ZDUSSCGKSA-N 1 0 318.421 3.012 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001516491243 1186784825 /nfs/dbraw/zinc/78/48/25/1186784825.db2.gz HTPZKYJOOJYSIC-UHFFFAOYSA-N 1 0 312.373 3.379 20 5 DGBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+]1C ZINC001612939769 1193464390 /nfs/dbraw/zinc/46/43/90/1193464390.db2.gz SXDAQWMOJPJZJS-GXTWGEPZSA-N 1 0 312.373 3.161 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC34CCC(CC3)C4)C2)nc1 ZINC001615971673 1193531335 /nfs/dbraw/zinc/53/13/35/1193531335.db2.gz HLFFHNHGKCGVGX-UUCFBXCCSA-N 1 0 316.405 3.056 20 5 DGBDRO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001617358643 1193566572 /nfs/dbraw/zinc/56/65/72/1193566572.db2.gz BQDIMXICYRYNHM-FRRDWIJNSA-N 1 0 305.378 3.042 20 5 DGBDRO CCC1(C)CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001559511620 1189212118 /nfs/dbraw/zinc/21/21/18/1189212118.db2.gz FFAHHQLAYFRCEM-CYBMUJFWSA-N 1 0 319.405 3.434 20 5 DGBDRO CC(C)(C)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001559902646 1189255045 /nfs/dbraw/zinc/25/50/45/1189255045.db2.gz BZVNMLOHZZIOOF-ZDUSSCGKSA-N 1 0 308.426 3.328 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001559921878 1189257395 /nfs/dbraw/zinc/25/73/95/1189257395.db2.gz USRGQWAJMSMQBK-OLZOCXBDSA-N 1 0 307.350 3.417 20 5 DGBDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001560569067 1189342273 /nfs/dbraw/zinc/34/22/73/1189342273.db2.gz IRLUXTJVWZIKMT-OAHLLOKOSA-N 1 0 315.373 3.039 20 5 DGBDRO CCN1CC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001560569066 1189342733 /nfs/dbraw/zinc/34/27/33/1189342733.db2.gz IRLUXTJVWZIKMT-HNNXBMFYSA-N 1 0 315.373 3.039 20 5 DGBDRO Cc1c(C[NH2+]CCc2c(F)cc(O)cc2F)cccc1[N+](=O)[O-] ZINC001560600953 1189346175 /nfs/dbraw/zinc/34/61/75/1189346175.db2.gz HPGDGWTVCAZKGQ-UHFFFAOYSA-N 1 0 322.311 3.219 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)c1[N+](=O)[O-] ZINC001560679442 1189359872 /nfs/dbraw/zinc/35/98/72/1189359872.db2.gz OGDVKMSORSXZCJ-AWEZNQCLSA-N 1 0 320.389 3.464 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001560742048 1189372915 /nfs/dbraw/zinc/37/29/15/1189372915.db2.gz QJRARDALTCDNJH-NTZNESFSSA-N 1 0 308.378 3.223 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC001560998395 1189418080 /nfs/dbraw/zinc/41/80/80/1189418080.db2.gz WPRHJFWYJWXRTF-DNXIFWLFSA-N 1 0 318.417 3.481 20 5 DGBDRO C[C@@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H](C)[NH3+] ZINC001576102883 1191530113 /nfs/dbraw/zinc/53/01/13/1191530113.db2.gz IVTQQFGEDHWNHI-VHSXEESVSA-N 1 0 323.780 3.334 20 5 DGBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001619854591 1193762715 /nfs/dbraw/zinc/76/27/15/1193762715.db2.gz RGBOXUBQPMNHOG-CQSZACIVSA-N 1 0 322.405 3.253 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c1 ZINC001620629749 1193785305 /nfs/dbraw/zinc/78/53/05/1193785305.db2.gz BERIZMNJQDWIOP-RYQLBKOJSA-N 1 0 316.401 3.139 20 5 DGBDRO Cc1ccc(C[NH2+]CC(C)(C)C2=CCOCC2)cc1[N+](=O)[O-] ZINC001621105439 1193802623 /nfs/dbraw/zinc/80/26/23/1193802623.db2.gz QFBHPDDIMRUGSK-UHFFFAOYSA-N 1 0 304.390 3.366 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001621398616 1193837844 /nfs/dbraw/zinc/83/78/44/1193837844.db2.gz NAURWSXCNFYTSI-NEPJUHHUSA-N 1 0 308.378 3.223 20 5 DGBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001649207799 1194082795 /nfs/dbraw/zinc/08/27/95/1194082795.db2.gz TYRMFOKFAMJTEQ-UHFFFAOYSA-N 1 0 314.389 3.411 20 5 DGBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCCC2)c2ccccc21 ZINC001639271877 1194758277 /nfs/dbraw/zinc/75/82/77/1194758277.db2.gz BRPIXNDSFRKPEN-UHFFFAOYSA-N 1 0 300.362 3.041 20 5 DGBDRO C[C@H]1CCC[N@H+](CCNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001642066514 1194886864 /nfs/dbraw/zinc/88/68/64/1194886864.db2.gz QNRQFJNTDNFDIP-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCCN(CCF)C2)c(Cl)c1 ZINC001642866463 1194948991 /nfs/dbraw/zinc/94/89/91/1194948991.db2.gz UZHSDADKQIQFIS-SNVBAGLBSA-N 1 0 301.749 3.094 20 5 DGBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C)C1 ZINC001642938079 1194955603 /nfs/dbraw/zinc/95/56/03/1194955603.db2.gz JQMXIGPSKMEOAF-LSDHHAIUSA-N 1 0 322.405 3.111 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ncccn2)CC1 ZINC001644577712 1195117641 /nfs/dbraw/zinc/11/76/41/1195117641.db2.gz MRHNWJFNJOUYCE-ZDUSSCGKSA-N 1 0 312.373 3.325 20 5 DGBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC001645196715 1195164995 /nfs/dbraw/zinc/16/49/95/1195164995.db2.gz HXQIWIBPXVHPMW-CYBMUJFWSA-N 1 0 304.415 3.433 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1OC ZINC001645511302 1195190886 /nfs/dbraw/zinc/19/08/86/1195190886.db2.gz UUZADFHSELECQR-HZPDHXFCSA-N 1 0 322.405 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCSC[C@H]2C2CC2)cc1 ZINC001645756233 1195200069 /nfs/dbraw/zinc/20/00/69/1195200069.db2.gz NHGBLCYHNQPTMU-INIZCTEOSA-N 1 0 322.430 3.191 20 5 DGBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H](C)C1 ZINC001645913457 1195207160 /nfs/dbraw/zinc/20/71/60/1195207160.db2.gz WNHJJWOENIYKJD-CABCVRRESA-N 1 0 308.426 3.472 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001650695779 1195372433 /nfs/dbraw/zinc/37/24/33/1195372433.db2.gz DNOJGXMSUZUDGC-SNVBAGLBSA-N 1 0 315.801 3.399 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001650744673 1195377346 /nfs/dbraw/zinc/37/73/46/1195377346.db2.gz JVJGVJWGFSNBSU-CQSZACIVSA-N 1 0 318.421 3.155 20 5 DGBDRO COc1cc(C[NH2+]CC2CCCCCC2)c([N+](=O)[O-])cc1O ZINC001651083368 1195410800 /nfs/dbraw/zinc/41/08/00/1195410800.db2.gz RBTZGUZJHFIYGI-UHFFFAOYSA-N 1 0 308.378 3.369 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001651258991 1195434369 /nfs/dbraw/zinc/43/43/69/1195434369.db2.gz UUXZCZDDXDPNQZ-LBPRGKRZSA-N 1 0 324.812 3.462 20 5 DGBDRO C[NH+]1C[C@@]2(C)CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC001651302168 1195440585 /nfs/dbraw/zinc/44/05/85/1195440585.db2.gz ZMRWLSVFLKBRRC-GJZGRUSLSA-N 1 0 309.797 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCC[N@H+]1CC=CCC1 ZINC001651808813 1195511882 /nfs/dbraw/zinc/51/18/82/1195511882.db2.gz FWAFYWPHRJEUIQ-UHFFFAOYSA-N 1 0 315.295 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC001652067072 1195543990 /nfs/dbraw/zinc/54/39/90/1195543990.db2.gz UHNGIWSVUGNOCE-OAGGEKHMSA-N 1 0 315.417 3.153 20 5 DGBDRO [NH3+]CCN(Cc1cccc2c1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC001652380557 1195589317 /nfs/dbraw/zinc/58/93/17/1195589317.db2.gz MHRPDTUWVOUCDN-UHFFFAOYSA-N 1 0 311.385 3.049 20 5 DGBDRO CC(C)[C@](C)([NH2+]CC[N+](=O)[O-])c1ccc(Br)cc1 ZINC001653293012 1195708933 /nfs/dbraw/zinc/70/89/33/1195708933.db2.gz NIOHRHZHGPBHGE-ZDUSSCGKSA-N 1 0 315.211 3.187 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001653360582 1195713744 /nfs/dbraw/zinc/71/37/44/1195713744.db2.gz RWIUGIQGUSZOMH-ZIAGYGMSSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1OC ZINC001653518267 1195730731 /nfs/dbraw/zinc/73/07/31/1195730731.db2.gz JADDWFZICMSPMP-CABCVRRESA-N 1 0 310.369 3.417 20 5 DGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001654402276 1195800130 /nfs/dbraw/zinc/80/01/30/1195800130.db2.gz ZHHVXUBPJFDRLI-DZGCQCFKSA-N 1 0 310.419 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CCO)C2CCCC2)c1 ZINC001654909865 1195854336 /nfs/dbraw/zinc/85/43/36/1195854336.db2.gz YFXQSGHBLSDZII-OAHLLOKOSA-N 1 0 312.797 3.279 20 5 DGBDRO C[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001654947174 1195856600 /nfs/dbraw/zinc/85/66/00/1195856600.db2.gz HJANKYQMFSHBSO-QDEZUTFSSA-N 1 0 302.349 3.378 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001655049271 1195870015 /nfs/dbraw/zinc/87/00/15/1195870015.db2.gz IPZMHPIWFCNYKN-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CCCC[N@H+](C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001655117760 1195878529 /nfs/dbraw/zinc/87/85/29/1195878529.db2.gz XUQQLNGDCLOEFH-UHFFFAOYSA-N 1 0 306.410 3.012 20 5 DGBDRO CCC(CC)CCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001655199995 1195890288 /nfs/dbraw/zinc/89/02/88/1195890288.db2.gz KFZHEOAPJRIAOW-UHFFFAOYSA-N 1 0 321.421 3.342 20 5 DGBDRO CCCN(CC[NH+]1CCCC1)c1cc(C)c([N+](=O)[O-])cc1F ZINC001655461310 1195920095 /nfs/dbraw/zinc/92/00/95/1195920095.db2.gz WJAYZRPDSZZJJK-UHFFFAOYSA-N 1 0 309.385 3.355 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2NCc1ccc2c[nH+]cn2c1 ZINC001655550934 1195931333 /nfs/dbraw/zinc/93/13/33/1195931333.db2.gz PONBPHUALVSVCX-UHFFFAOYSA-N 1 0 319.324 3.403 20 5 DGBDRO C[C@@H]1Cc2n[nH]cc2CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001655589914 1195936428 /nfs/dbraw/zinc/93/64/28/1195936428.db2.gz OITOEZNXHQUELE-SNVBAGLBSA-N 1 0 320.780 3.166 20 5 DGBDRO C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CCC1(C)C ZINC001655720941 1195955211 /nfs/dbraw/zinc/95/52/11/1195955211.db2.gz VIOODBNHONOGKX-UHFFFAOYSA-N 1 0 320.418 3.125 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2CCCCN2C2CC2)cccc1[N+](=O)[O-] ZINC001656204699 1196017472 /nfs/dbraw/zinc/01/74/72/1196017472.db2.gz VDOKRAJKDHNROK-INIZCTEOSA-N 1 0 303.406 3.010 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC001656238313 1196022415 /nfs/dbraw/zinc/02/24/15/1196022415.db2.gz ILVCLMOUWKXEIV-UHFFFAOYSA-N 1 0 324.384 3.420 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1csc([N+](=O)[O-])c1 ZINC001656474322 1196042946 /nfs/dbraw/zinc/04/29/46/1196042946.db2.gz ILSDDNAJZUJTJE-HUUCEWRRSA-N 1 0 323.462 3.351 20 5 DGBDRO Cc1c(CN[C@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC001656641096 1196057500 /nfs/dbraw/zinc/05/75/00/1196057500.db2.gz BWLHKQBQUSESBD-KRWDZBQOSA-N 1 0 317.433 3.257 20 5 DGBDRO Cc1noc(C)c1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001656649176 1196058122 /nfs/dbraw/zinc/05/81/22/1196058122.db2.gz YVFLMTNYNXMENA-UHFFFAOYSA-N 1 0 303.362 3.312 20 5 DGBDRO COc1ccc(C[NH2+]CC2(OC)CCCCCC2)cc1[N+](=O)[O-] ZINC001657099642 1196105862 /nfs/dbraw/zinc/10/58/62/1196105862.db2.gz PSFHNJYSGOJEFN-UHFFFAOYSA-N 1 0 322.405 3.432 20 5 DGBDRO CCC1(C)CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001657131150 1196109231 /nfs/dbraw/zinc/10/92/31/1196109231.db2.gz ALWSRKLVBBNQKH-ZDUSSCGKSA-N 1 0 319.405 3.434 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)c1nccs1 ZINC001657760051 1196175729 /nfs/dbraw/zinc/17/57/29/1196175729.db2.gz QRTHGHXTBZMJSS-LLVKDONJSA-N 1 0 321.402 3.343 20 5 DGBDRO Cc1ccc2ncc(C[NH2+][C@H](C)c3ccccc3[N+](=O)[O-])n2c1 ZINC001657929769 1196194867 /nfs/dbraw/zinc/19/48/67/1196194867.db2.gz YWQICDBJHAUYHI-CYBMUJFWSA-N 1 0 310.357 3.402 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC001658347507 1196245629 /nfs/dbraw/zinc/24/56/29/1196245629.db2.gz TVPKWUNDKUUMBZ-TZMCWYRMSA-N 1 0 320.389 3.225 20 5 DGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001658584854 1196276545 /nfs/dbraw/zinc/27/65/45/1196276545.db2.gz LHBJUMYSKUOZNE-LSDHHAIUSA-N 1 0 310.419 3.237 20 5 DGBDRO CCS[C@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001658584845 1196276937 /nfs/dbraw/zinc/27/69/37/1196276937.db2.gz LHBJUMYSKUOZNE-CABCVRRESA-N 1 0 310.419 3.237 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(O)ccc2Cl)cc1 ZINC001658806616 1196303691 /nfs/dbraw/zinc/30/36/91/1196303691.db2.gz QEKLFGZPFBYYSB-UHFFFAOYSA-N 1 0 306.749 3.286 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC=CCC1 ZINC001658926146 1196320671 /nfs/dbraw/zinc/32/06/71/1196320671.db2.gz CHHLOLZDXBHYTL-CYBMUJFWSA-N 1 0 317.389 3.400 20 5 DGBDRO C[C@@H]1Cc2cc(CN3CCc4ccc([N+](=O)[O-])cc4C3)ccc2O1 ZINC001659156794 1196353858 /nfs/dbraw/zinc/35/38/58/1196353858.db2.gz BXQZMAGANZVNFI-CYBMUJFWSA-N 1 0 324.380 3.477 20 5 DGBDRO CC(C)C1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001659295453 1196369411 /nfs/dbraw/zinc/36/94/11/1196369411.db2.gz QCMGJCTUGSKFBF-UHFFFAOYSA-N 1 0 303.406 3.153 20 5 DGBDRO CCC(CC)(C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C(=O)OC ZINC001659390218 1196378223 /nfs/dbraw/zinc/37/82/23/1196378223.db2.gz SFWVBCGWEGBFTD-UHFFFAOYSA-N 1 0 322.405 3.281 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001659422322 1196382024 /nfs/dbraw/zinc/38/20/24/1196382024.db2.gz MTHYAGMSDQHWMA-SIXLDLHFSA-N 1 0 318.417 3.463 20 5 DGBDRO Cc1ccc([C@@H](C)CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC001659719289 1196407531 /nfs/dbraw/zinc/40/75/31/1196407531.db2.gz GTUQOGDKDVEAIN-HNNXBMFYSA-N 1 0 313.401 3.472 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCc2c(O)cccc2C1 ZINC001659793430 1196414951 /nfs/dbraw/zinc/41/49/51/1196414951.db2.gz ACFBGEUDJYYGKC-UHFFFAOYSA-N 1 0 312.369 3.476 20 5 DGBDRO CO[C@@H](C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001660097028 1196445024 /nfs/dbraw/zinc/44/50/24/1196445024.db2.gz PABICMWOTBLWRL-GUYCJALGSA-N 1 0 306.406 3.493 20 5 DGBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC001660507714 1196491857 /nfs/dbraw/zinc/49/18/57/1196491857.db2.gz MDMLUKYURZLJAU-JKSUJKDBSA-N 1 0 304.390 3.484 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001660640931 1196507383 /nfs/dbraw/zinc/50/73/83/1196507383.db2.gz BIOYNZKUQBROOO-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC1CC[NH+](CC(C)C)CC1 ZINC001660863304 1196537345 /nfs/dbraw/zinc/53/73/45/1196537345.db2.gz AXJHCCPLGVDHHA-UHFFFAOYSA-N 1 0 319.449 3.422 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(O)(C(C)C)CC1 ZINC001660897591 1196540271 /nfs/dbraw/zinc/54/02/71/1196540271.db2.gz DENLPXXSVQPGKR-PTNGSMBKSA-N 1 0 318.417 3.481 20 5 DGBDRO CCN1CCCC[C@@H]1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001661416409 1196603352 /nfs/dbraw/zinc/60/33/52/1196603352.db2.gz OHVDKYBORCYCPU-OAHLLOKOSA-N 1 0 305.422 3.176 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3(O)CCCC3)o2)c1 ZINC001661458579 1196607897 /nfs/dbraw/zinc/60/78/97/1196607897.db2.gz CTZJXXFAVYNGAF-UHFFFAOYSA-N 1 0 316.357 3.250 20 5 DGBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC001661590721 1196622319 /nfs/dbraw/zinc/62/23/19/1196622319.db2.gz QAJKRHWFLSFBRN-GFCCVEGCSA-N 1 0 304.321 3.291 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2COC3(CCCCC3)O2)cc1[N+](=O)[O-] ZINC001662055824 1196677858 /nfs/dbraw/zinc/67/78/58/1196677858.db2.gz NDIPYRXLPOHMND-OAHLLOKOSA-N 1 0 320.389 3.069 20 5 DGBDRO Cc1ccc(CNCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001662194086 1196692891 /nfs/dbraw/zinc/69/28/91/1196692891.db2.gz LZSPDZBCVAHZKH-OAHLLOKOSA-N 1 0 305.422 3.257 20 5 DGBDRO [NH3+]CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000236205059 1202605129 /nfs/dbraw/zinc/60/51/29/1202605129.db2.gz LVNVLLSCQDMVIF-UHFFFAOYSA-N 1 0 305.765 3.214 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165047562 721965336 /nfs/dbraw/zinc/96/53/36/721965336.db2.gz VBXYKVFCCDWRDT-HNNXBMFYSA-N 1 0 318.421 3.143 20 5 DGBDRO Cc1cnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001165046392 721965689 /nfs/dbraw/zinc/96/56/89/721965689.db2.gz KTFQVHPHIOQVLR-HNNXBMFYSA-N 1 0 318.421 3.143 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001169717824 1081638489 /nfs/dbraw/zinc/63/84/89/1081638489.db2.gz GDWQKKTWFJYJFO-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO Cc1cc(Cl)nc(NCC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001156377948 1081653315 /nfs/dbraw/zinc/65/33/15/1081653315.db2.gz HTPVZGVOAYDWSX-LLVKDONJSA-N 1 0 312.801 3.095 20 5 DGBDRO Cc1cc(Cl)c(-n2ccc3cc(C[NH3+])cnc32)c([N+](=O)[O-])c1 ZINC001167319021 1081958873 /nfs/dbraw/zinc/95/88/73/1081958873.db2.gz CXPKASIYMHGTMK-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170306249 1082337108 /nfs/dbraw/zinc/33/71/08/1082337108.db2.gz TYLCDBWMCLGOCG-GXTWGEPZSA-N 1 0 322.405 3.082 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC001170299136 1082338291 /nfs/dbraw/zinc/33/82/91/1082338291.db2.gz QQXDRVPJIXHURM-OSAQELSMSA-N 1 0 310.369 3.262 20 5 DGBDRO CCCCC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304708 1082339441 /nfs/dbraw/zinc/33/94/41/1082339441.db2.gz GASKKSNKQISKBH-OLZOCXBDSA-N 1 0 322.405 3.272 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170329776 1082347322 /nfs/dbraw/zinc/34/73/22/1082347322.db2.gz UHZIFHVLBUQJIM-GXTWGEPZSA-N 1 0 310.369 3.358 20 5 DGBDRO CCC1([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCOCC1 ZINC001170329270 1082348100 /nfs/dbraw/zinc/34/81/00/1082348100.db2.gz YTQMCLUBRMYZCN-ZDUSSCGKSA-N 1 0 322.405 3.083 20 5 DGBDRO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])c1 ZINC001170347609 1082357139 /nfs/dbraw/zinc/35/71/39/1082357139.db2.gz SDJDJUVAGFXUBK-TUKIKUTGSA-N 1 0 304.390 3.122 20 5 DGBDRO COc1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cnc1[N+](=O)[O-] ZINC001170451441 1082476030 /nfs/dbraw/zinc/47/60/30/1082476030.db2.gz MSRZMDXDQPAXOZ-UHFFFAOYSA-N 1 0 322.409 3.062 20 5 DGBDRO CCOc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)ccc1[N+](=O)[O-] ZINC001167626867 1082621970 /nfs/dbraw/zinc/62/19/70/1082621970.db2.gz WGCKWNNXJJYISU-UHFFFAOYSA-N 1 0 321.421 3.478 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217947388 1082962715 /nfs/dbraw/zinc/96/27/15/1082962715.db2.gz RBQBJJKAGURVQC-ONGXEEELSA-N 1 0 302.733 3.026 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1CC[NH2+]CC[C@@H]1F ZINC001218021413 1083006290 /nfs/dbraw/zinc/00/62/90/1083006290.db2.gz WNVPZBHQZHTCSM-ONGXEEELSA-N 1 0 323.151 3.371 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])n1 ZINC001170681487 1083108019 /nfs/dbraw/zinc/10/80/19/1083108019.db2.gz GOVKZZXGUQAVCM-LBPRGKRZSA-N 1 0 323.356 3.171 20 5 DGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C[NH2+][C@H]2C)c1Cl ZINC001218383725 1083153984 /nfs/dbraw/zinc/15/39/84/1083153984.db2.gz HFCGZZKRLPXZHO-WKEGUHRASA-N 1 0 305.161 3.203 20 5 DGBDRO C[C@H]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C[NH2+]1 ZINC001218402785 1083173215 /nfs/dbraw/zinc/17/32/15/1083173215.db2.gz WEPKYFYZVHQDED-JGVFFNPUSA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001218418507 1083185157 /nfs/dbraw/zinc/18/51/57/1083185157.db2.gz ZYGNDPWTIMXYFR-CPCISQLKSA-N 1 0 305.161 3.278 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001167751636 1083624562 /nfs/dbraw/zinc/62/45/62/1083624562.db2.gz MUSDXXJBBAEJGY-GFCCVEGCSA-N 1 0 317.393 3.148 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC001184046097 1084095451 /nfs/dbraw/zinc/09/54/51/1084095451.db2.gz UDMLVPUYNHRXCD-UHOFOFEASA-N 1 0 304.390 3.246 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCOc2cccc(F)c2)cc1 ZINC001184205591 1084124229 /nfs/dbraw/zinc/12/42/29/1084124229.db2.gz AWINCDNGCSBPKW-UHFFFAOYSA-N 1 0 318.348 3.335 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCCCCC2)n1 ZINC001184634740 1084233216 /nfs/dbraw/zinc/23/32/16/1084233216.db2.gz XOVZRJIQQRBRHN-UHFFFAOYSA-N 1 0 306.410 3.365 20 5 DGBDRO Cc1c(CNc2cc[nH+]cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC001186113939 1084592589 /nfs/dbraw/zinc/59/25/89/1084592589.db2.gz ZXBZLLJEHPKQHT-UHFFFAOYSA-N 1 0 311.263 3.351 20 5 DGBDRO CC(C)(CC[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC001186176390 1084604691 /nfs/dbraw/zinc/60/46/91/1084604691.db2.gz WLGTYRQYACTYRN-UHFFFAOYSA-N 1 0 306.410 3.446 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001186632987 1084681523 /nfs/dbraw/zinc/68/15/23/1084681523.db2.gz LHOWBBBTDJSLPZ-ZDUSSCGKSA-N 1 0 324.425 3.309 20 5 DGBDRO C[N@@H+]1C[C@@]2(C)CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001187215450 1084776019 /nfs/dbraw/zinc/77/60/19/1084776019.db2.gz HOSCWFYRIDXTDE-GASCZTMLSA-N 1 0 309.797 3.026 20 5 DGBDRO CC[N@@H+]1CC[C@H]1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001187423144 1084799688 /nfs/dbraw/zinc/79/96/88/1084799688.db2.gz PGCZGKIABWFOHN-JTQLQIEISA-N 1 0 303.284 3.120 20 5 DGBDRO CC1(Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168185609 1087031664 /nfs/dbraw/zinc/03/16/64/1087031664.db2.gz KFIWKBINAWQCBS-UHFFFAOYSA-N 1 0 303.284 3.168 20 5 DGBDRO C[C@H](CCNc1cc(Br)ccc1[N+](=O)[O-])[NH+](C)C ZINC000697877408 1087354225 /nfs/dbraw/zinc/35/42/25/1087354225.db2.gz IGLIIMGXOQTRLS-SECBINFHSA-N 1 0 316.199 3.109 20 5 DGBDRO CC(C)[N@@H+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@@H]1C ZINC001158495231 1087866007 /nfs/dbraw/zinc/86/60/07/1087866007.db2.gz YOABKIORQCUOTI-ZDUSSCGKSA-N 1 0 314.389 3.062 20 5 DGBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC23CC[NH+](CC2)CC3)c1 ZINC001158831966 1088058066 /nfs/dbraw/zinc/05/80/66/1088058066.db2.gz GFGNDLQYSKQAOD-UHFFFAOYSA-N 1 0 312.373 3.041 20 5 DGBDRO Cc1ccc(Nc2ccccc2N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001159813775 1088501866 /nfs/dbraw/zinc/50/18/66/1088501866.db2.gz FRVOTNCIQAUDIS-UHFFFAOYSA-N 1 0 312.373 3.056 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)c1F ZINC001159921568 1088551808 /nfs/dbraw/zinc/55/18/08/1088551808.db2.gz AADKYQGWRCVXCU-ZDUSSCGKSA-N 1 0 317.320 3.218 20 5 DGBDRO O=[N+]([O-])c1ccccc1Nc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001159948107 1088564602 /nfs/dbraw/zinc/56/46/02/1088564602.db2.gz DLDTYEIFLUNITM-HNNXBMFYSA-N 1 0 313.357 3.469 20 5 DGBDRO Cc1ccnc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001159947960 1088565018 /nfs/dbraw/zinc/56/50/18/1088565018.db2.gz QTRMTXOTEGHQAQ-GFCCVEGCSA-N 1 0 322.368 3.058 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)nc1-c1ccccc1 ZINC001160150136 1088672064 /nfs/dbraw/zinc/67/20/64/1088672064.db2.gz FMLZXZSIWYOAMK-AWEZNQCLSA-N 1 0 312.373 3.211 20 5 DGBDRO Cc1ccc(Nc2ccccc2O[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001160172908 1088684005 /nfs/dbraw/zinc/68/40/05/1088684005.db2.gz ZALZAJNYPCLRNF-CQSZACIVSA-N 1 0 313.357 3.388 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001155032418 1088907592 /nfs/dbraw/zinc/90/75/92/1088907592.db2.gz XPDNBPMJIIRVAR-TZMCWYRMSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001155033996 1088910051 /nfs/dbraw/zinc/91/00/51/1088910051.db2.gz UZUNLRUMICZJHH-TZMCWYRMSA-N 1 0 314.389 3.191 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@@]2(F)CCCC[NH2+]C2)c2ccccc21 ZINC001155116931 1088958875 /nfs/dbraw/zinc/95/88/75/1088958875.db2.gz MODPAELAAMVMFN-MRXNPFEDSA-N 1 0 318.352 3.037 20 5 DGBDRO CC(C)(C)[C@H](C[NH3+])Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001160913826 1089015895 /nfs/dbraw/zinc/01/58/95/1089015895.db2.gz ZUHQGGMOMZMXCY-QMMMGPOBSA-N 1 0 307.181 3.082 20 5 DGBDRO CCC(CC)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC001161094715 1089112156 /nfs/dbraw/zinc/11/21/56/1089112156.db2.gz HWILYCXBOLONCC-UHFFFAOYSA-N 1 0 306.410 3.363 20 5 DGBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CC[N@@H+](C3CCC3)C2)c1 ZINC001161182496 1089144395 /nfs/dbraw/zinc/14/43/95/1089144395.db2.gz GPVLJRTUJANION-ZDUSSCGKSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(N[C@@H]2C[NH2+]Cc3ccsc32)nc1Cl ZINC001155560123 1089164739 /nfs/dbraw/zinc/16/47/39/1089164739.db2.gz XQUPXTBYFNATFO-SECBINFHSA-N 1 0 324.793 3.270 20 5 DGBDRO [NH3+]C1(CC2CCC2)CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001161571283 1089291182 /nfs/dbraw/zinc/29/11/82/1089291182.db2.gz FEINLCYXOKSTRT-UHFFFAOYSA-N 1 0 324.812 3.131 20 5 DGBDRO Cc1c(C)n(-c2ccc([N+](=O)[O-])c(C)n2)c2ccc(C[NH3+])cc12 ZINC001155903022 1089296045 /nfs/dbraw/zinc/29/60/45/1089296045.db2.gz AZEQNWVLBLOUEI-UHFFFAOYSA-N 1 0 310.357 3.318 20 5 DGBDRO C[NH+](C)CCCCNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001161728366 1089373949 /nfs/dbraw/zinc/37/39/49/1089373949.db2.gz JWKAFRYDYPMXDU-UHFFFAOYSA-N 1 0 306.341 3.036 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001156377957 1089495111 /nfs/dbraw/zinc/49/51/11/1089495111.db2.gz HXECYOCRJAXPAH-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001162396296 1089713049 /nfs/dbraw/zinc/71/30/49/1089713049.db2.gz IUPNAWNEHOOISN-NXEZZACHSA-N 1 0 303.284 3.295 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001162397302 1089713546 /nfs/dbraw/zinc/71/35/46/1089713546.db2.gz SJIFACZYNCZJLJ-BDAKNGLRSA-N 1 0 303.284 3.295 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162404204 1089719654 /nfs/dbraw/zinc/71/96/54/1089719654.db2.gz IZDITEJLZNJQGN-OLZOCXBDSA-N 1 0 307.394 3.372 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001162467016 1089749142 /nfs/dbraw/zinc/74/91/42/1089749142.db2.gz OSWIFISOTLSOEF-CHWSQXEVSA-N 1 0 314.389 3.191 20 5 DGBDRO CC(C)[N@H+](C)[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001157019468 1089786055 /nfs/dbraw/zinc/78/60/55/1089786055.db2.gz GBTFLMIUFZTQBM-HNNXBMFYSA-N 1 0 314.389 3.062 20 5 DGBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001157019469 1089789086 /nfs/dbraw/zinc/78/90/86/1089789086.db2.gz GBTFLMIUFZTQBM-OAHLLOKOSA-N 1 0 314.389 3.062 20 5 DGBDRO Cc1c(F)cc([N+](=O)[O-])cc1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162853793 1089992701 /nfs/dbraw/zinc/99/27/01/1089992701.db2.gz GNXPOIDSOWZAER-GFCCVEGCSA-N 1 0 301.321 3.064 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001163035150 1090057137 /nfs/dbraw/zinc/05/71/37/1090057137.db2.gz GWIKRRARAKGGFI-UHFFFAOYSA-N 1 0 300.790 3.353 20 5 DGBDRO [NH3+]CC[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])c2ccccc21 ZINC001157739133 1090091408 /nfs/dbraw/zinc/09/14/08/1090091408.db2.gz HGEZSJRIFXUCHT-SNVBAGLBSA-N 1 0 318.764 3.227 20 5 DGBDRO Cc1cc(Cl)nc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001157796569 1090112242 /nfs/dbraw/zinc/11/22/42/1090112242.db2.gz DWYFSLQXEOMMKX-QWRGUYRKSA-N 1 0 312.801 3.236 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001157942207 1090154957 /nfs/dbraw/zinc/15/49/57/1090154957.db2.gz SEFZPXSXMGXXMZ-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc(Cl)cc([N+](=O)[O-])n2)[C@H](C)C1 ZINC001163360857 1090162447 /nfs/dbraw/zinc/16/24/47/1090162447.db2.gz GGINQBNTAJPDOO-ZYHUDNBSSA-N 1 0 312.801 3.174 20 5 DGBDRO CN(CCC[NH+](C)C)c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001163597745 1090217443 /nfs/dbraw/zinc/21/74/43/1090217443.db2.gz JKNKJMRKBMXNPJ-UHFFFAOYSA-N 1 0 322.796 3.184 20 5 DGBDRO CCOc1cc(N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC001163722267 1090242084 /nfs/dbraw/zinc/24/20/84/1090242084.db2.gz VYIVRHFPGOYQBA-HZPDHXFCSA-N 1 0 319.405 3.278 20 5 DGBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1ccc2ccc3cccnc3c2n1 ZINC001164460193 1090426786 /nfs/dbraw/zinc/42/67/86/1090426786.db2.gz AJARKPQGWYDKIE-UONOGXRCSA-N 1 0 306.413 3.347 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(N2CCC3(CCCC[NH2+]3)CC2)nc1Cl ZINC001165247394 1090488274 /nfs/dbraw/zinc/48/82/74/1090488274.db2.gz XWIHDJMAXALWCL-UHFFFAOYSA-N 1 0 324.812 3.064 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001165260835 1090491369 /nfs/dbraw/zinc/49/13/69/1090491369.db2.gz JPHYDPQIOHIWPE-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO [NH3+]CC[C@@H]1CN(c2c(Cl)nccc2[N+](=O)[O-])c2ccccc21 ZINC001168546247 1090529910 /nfs/dbraw/zinc/52/99/10/1090529910.db2.gz VBZQPBTZJWSLMQ-SNVBAGLBSA-N 1 0 318.764 3.227 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2c(Cl)nccc2[N+](=O)[O-])CC1 ZINC001166603622 1090627711 /nfs/dbraw/zinc/62/77/11/1090627711.db2.gz LTUCWHVTOYIKBU-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO CCCC1CC[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC001204566419 1091001623 /nfs/dbraw/zinc/00/16/23/1091001623.db2.gz WJBGYSSDCCWLTB-UHFFFAOYSA-N 1 0 308.378 3.321 20 5 DGBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001161181308 1091133930 /nfs/dbraw/zinc/13/39/30/1091133930.db2.gz PJDBHRBOIJIDOT-LBPRGKRZSA-N 1 0 324.812 3.320 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H](C(C)C)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001205790052 1091349405 /nfs/dbraw/zinc/34/94/05/1091349405.db2.gz ZHAQZCBHDTYWDL-ZFWWWQNUSA-N 1 0 322.405 3.421 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C(C)C)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001205790050 1091350589 /nfs/dbraw/zinc/35/05/89/1091350589.db2.gz ZHAQZCBHDTYWDL-HIFRSBDPSA-N 1 0 322.405 3.421 20 5 DGBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCCCC1 ZINC001307196504 1091587117 /nfs/dbraw/zinc/58/71/17/1091587117.db2.gz VBNIJIPJCLHFDU-UHFFFAOYSA-N 1 0 314.389 3.477 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccc2nonc2c1)c1ccccc1[N+](=O)[O-] ZINC001207689266 1092070561 /nfs/dbraw/zinc/07/05/61/1092070561.db2.gz RUJHIKOMHUYUJW-NSHDSACASA-N 1 0 312.329 3.024 20 5 DGBDRO C[C@@H]1CNC(=O)C[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141728528 1092323361 /nfs/dbraw/zinc/32/33/61/1092323361.db2.gz UPHVIXWGGWQDBQ-CQSZACIVSA-N 1 0 304.393 3.313 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC(=O)N1 ZINC001141723531 1092323668 /nfs/dbraw/zinc/32/36/68/1092323668.db2.gz ZXGHUTZJVLQZSL-CQSZACIVSA-N 1 0 304.393 3.313 20 5 DGBDRO [NH3+][C@H]1CCc2c(c3ccccc3n2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168976316 1092456648 /nfs/dbraw/zinc/45/66/48/1092456648.db2.gz CRIUYCAPOPROCJ-HZSPNIEDSA-N 1 0 313.401 3.075 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOc2cccc3ccccc32)C1 ZINC001168978210 1092457244 /nfs/dbraw/zinc/45/72/44/1092457244.db2.gz PVIQZMYXHGIYRO-GOEBONIOSA-N 1 0 314.385 3.254 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC001168983730 1092460657 /nfs/dbraw/zinc/46/06/57/1092460657.db2.gz LBXLXGLTCLLKBJ-GXTWGEPZSA-N 1 0 316.323 3.283 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)C1 ZINC001168982025 1092461030 /nfs/dbraw/zinc/46/10/30/1092461030.db2.gz HYJYBSRHFCGLAM-YJBOKZPZSA-N 1 0 311.385 3.284 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccn3)cc2)C1 ZINC001168985666 1092462215 /nfs/dbraw/zinc/46/22/15/1092462215.db2.gz UUTKKLSKXBAIMJ-NVXWUHKLSA-N 1 0 311.385 3.284 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2c(F)cccc2Cl)C1 ZINC001168958220 1092462759 /nfs/dbraw/zinc/46/27/59/1092462759.db2.gz LNZGJQPPSXLPTL-WDEREUQCSA-N 1 0 300.761 3.057 20 5 DGBDRO CC(C)(C[NH3+])c1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168984785 1092462854 /nfs/dbraw/zinc/46/28/54/1092462854.db2.gz AGQGGCPGVYGVOW-UONOGXRCSA-N 1 0 315.417 3.496 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccn3)cc2)C1 ZINC001168985668 1092463094 /nfs/dbraw/zinc/46/30/94/1092463094.db2.gz UUTKKLSKXBAIMJ-RDJZCZTQSA-N 1 0 311.385 3.284 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001168970446 1092470804 /nfs/dbraw/zinc/47/08/04/1092470804.db2.gz HPMHIUVZYGADKL-SKDRFNHKSA-N 1 0 320.286 3.380 20 5 DGBDRO COc1ccccc1CC(C)(C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998631 1092479212 /nfs/dbraw/zinc/47/92/12/1092479212.db2.gz PCTSJPPSAWMKPC-DZGCQCFKSA-N 1 0 306.406 3.051 20 5 DGBDRO COc1ccccc1CC(C)(C)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168999455 1092480794 /nfs/dbraw/zinc/48/07/94/1092480794.db2.gz UBIFMQXKWMHNKT-GDBMZVCRSA-N 1 0 320.433 3.299 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2cccnc2Cl)C2CC2)C1 ZINC001169006921 1092486142 /nfs/dbraw/zinc/48/61/42/1092486142.db2.gz ZSVDKYAJNXLVMS-OSMZGAPFSA-N 1 0 309.797 3.221 20 5 DGBDRO C[Si](C)(C)C([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)[Si](C)(C)C ZINC001168988241 1092492416 /nfs/dbraw/zinc/49/24/16/1092492416.db2.gz PPBRJMRYFKNXPZ-NWDGAFQWSA-N 1 0 302.567 3.145 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)c2c1 ZINC001168987330 1092492550 /nfs/dbraw/zinc/49/25/50/1092492550.db2.gz IKCUITUHWPMCEI-LZWOXQAQSA-N 1 0 315.417 3.457 20 5 DGBDRO [NH3+]Cc1ccc(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C(F)(F)F ZINC001168986919 1092492692 /nfs/dbraw/zinc/49/26/92/1092492692.db2.gz GDJUKUZXDYHOGC-ONGXEEELSA-N 1 0 317.311 3.021 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC001168989370 1092492737 /nfs/dbraw/zinc/49/27/37/1092492737.db2.gz WIWISZVJYNBCFZ-NVXWUHKLSA-N 1 0 317.433 3.212 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)C1 ZINC001169032987 1092497356 /nfs/dbraw/zinc/49/73/56/1092497356.db2.gz AMYUMWROQVTVIU-WQVCFCJDSA-N 1 0 324.421 3.361 20 5 DGBDRO COc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169036604 1092498290 /nfs/dbraw/zinc/49/82/90/1092498290.db2.gz GZEQPSGABLKABH-UNEWFSDZSA-N 1 0 304.390 3.278 20 5 DGBDRO COc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169036600 1092498717 /nfs/dbraw/zinc/49/87/17/1092498717.db2.gz GZEQPSGABLKABH-LXZKKBNFSA-N 1 0 304.390 3.278 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC001169026989 1092507047 /nfs/dbraw/zinc/50/70/47/1092507047.db2.gz OQKMRIODWADFCW-IRXDYDNUSA-N 1 0 318.417 3.113 20 5 DGBDRO COc1ccccc1C[C@H](C)[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047457 1092507334 /nfs/dbraw/zinc/50/73/34/1092507334.db2.gz RCSNQRFXEUBZSE-SQWLQELKSA-N 1 0 306.406 3.003 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3cccc(O)c3)CC2)C1 ZINC001169046668 1092507606 /nfs/dbraw/zinc/50/76/06/1092507606.db2.gz LQPLLGFMZDKBQW-XJKSGUPXSA-N 1 0 304.390 3.017 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001169056930 1092512820 /nfs/dbraw/zinc/51/28/20/1092512820.db2.gz UEICZSJAUCZXBS-PVAVHDDUSA-N 1 0 306.381 3.278 20 5 DGBDRO C[NH+](C)CCOc1ccc(Nc2cccc([N+](=O)[O-])c2F)cc1 ZINC001210380287 1093147221 /nfs/dbraw/zinc/14/72/21/1093147221.db2.gz RVGVIIPYOQHICD-UHFFFAOYSA-N 1 0 319.336 3.418 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(C[NH+](C)C)cc1 ZINC001210446156 1093168215 /nfs/dbraw/zinc/16/82/15/1093168215.db2.gz GHNMWZMPXSDLQY-UHFFFAOYSA-N 1 0 301.346 3.409 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccnn2-c2cc[nH+]cc2)c1F ZINC001215291858 1093952537 /nfs/dbraw/zinc/95/25/37/1093952537.db2.gz GCGZLMGJIMASJO-UHFFFAOYSA-N 1 0 317.255 3.197 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@H]2C[NH2+]CCC[C@@H]2F)c2ccccc21 ZINC001217773723 1094494223 /nfs/dbraw/zinc/49/42/23/1094494223.db2.gz KQSHNCOXDUBXJW-RDJZCZTQSA-N 1 0 318.348 3.355 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@@H]1C[NH2+]CCOC1 ZINC001217785306 1094495603 /nfs/dbraw/zinc/49/56/03/1094495603.db2.gz JAAJOZJTGYXZPI-QGZVFWFLSA-N 1 0 307.393 3.498 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2C[NH2+]CCC23CC3)c2ccccc21 ZINC001217910844 1094516071 /nfs/dbraw/zinc/51/60/71/1094516071.db2.gz BEQSSBZXEJCCIR-QGZVFWFLSA-N 1 0 312.369 3.407 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C[C@H]2F)cc(C(F)(F)F)c1 ZINC001217947477 1094525460 /nfs/dbraw/zinc/52/54/60/1094525460.db2.gz KINMZVJUYCSDSP-VXGBXAGGSA-N 1 0 322.258 3.083 20 5 DGBDRO F[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001217952332 1094527762 /nfs/dbraw/zinc/52/77/62/1094527762.db2.gz UUKRHXNPBOKWNN-UGSOOPFHSA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1CCCC[NH2+]C1 ZINC001217967716 1094534457 /nfs/dbraw/zinc/53/44/57/1094534457.db2.gz CPGGSRMPJBHCKK-JTQLQIEISA-N 1 0 304.268 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CCCC[NH2+]C1 ZINC001217972850 1094536393 /nfs/dbraw/zinc/53/63/93/1094536393.db2.gz VCFIZFFVUFNWSZ-SNVBAGLBSA-N 1 0 320.267 3.014 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CCCC[NH2+]C1 ZINC001217972324 1094536547 /nfs/dbraw/zinc/53/65/47/1094536547.db2.gz CHWINPSWUPIUJH-SECBINFHSA-N 1 0 305.161 3.423 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217979586 1094539516 /nfs/dbraw/zinc/53/95/16/1094539516.db2.gz GXOZSYVVZVDTMK-ONGXEEELSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001217996168 1094549573 /nfs/dbraw/zinc/54/95/73/1094549573.db2.gz QSALYYKZSGHDOR-JTQLQIEISA-N 1 0 304.268 3.135 20 5 DGBDRO C[C@@H](Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001218002915 1094552392 /nfs/dbraw/zinc/55/23/92/1094552392.db2.gz UZCJOUQHHSZIRY-SECBINFHSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[NH2+]CC[C@@H]2F)c(Cl)c1 ZINC001218015717 1094561267 /nfs/dbraw/zinc/56/12/67/1094561267.db2.gz MPLSWYWOLUKOSU-WDEREUQCSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001218025091 1094565872 /nfs/dbraw/zinc/56/58/72/1094565872.db2.gz CWRWSLMJDHSSFZ-BXKDBHETSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001218026550 1094566267 /nfs/dbraw/zinc/56/62/67/1094566267.db2.gz ITILMHOBHHCGBU-ZANVPECISA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001218030959 1094570071 /nfs/dbraw/zinc/57/00/71/1094570071.db2.gz WMAMJVNPYCKJGK-NOZJJQNGSA-N 1 0 318.295 3.381 20 5 DGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]C[C@H]2C)c1Cl ZINC001218035711 1094571774 /nfs/dbraw/zinc/57/17/74/1094571774.db2.gz NCZAPKIQYWNJRK-RDDDGLTNSA-N 1 0 319.188 3.451 20 5 DGBDRO C[C@H]1C[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218056504 1094579217 /nfs/dbraw/zinc/57/92/17/1094579217.db2.gz OMUIYXOWQIBFAZ-WCBMZHEXSA-N 1 0 304.268 3.133 20 5 DGBDRO C[C@H]1C[C@@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218055027 1094579632 /nfs/dbraw/zinc/57/96/32/1094579632.db2.gz GWGGEKUHXOCJNN-YUMQZZPRSA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@H]1C[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC001218058246 1094580129 /nfs/dbraw/zinc/58/01/29/1094580129.db2.gz VZOFQRSNXUBDIR-YUMQZZPRSA-N 1 0 305.161 3.421 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(OC2CC3(C2)CC[NH2+]C3)cc1Cl ZINC001218061615 1094581734 /nfs/dbraw/zinc/58/17/34/1094581734.db2.gz VQOZYEPIMDZVRA-UHFFFAOYSA-N 1 0 317.172 3.423 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218079986 1094590009 /nfs/dbraw/zinc/59/00/09/1094590009.db2.gz KDOXOBDXGCIFHX-LBPRGKRZSA-N 1 0 310.781 3.468 20 5 DGBDRO c1ccc2nc3c(cccc3OC[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc2c1 ZINC001218083874 1094592116 /nfs/dbraw/zinc/59/21/16/1094592116.db2.gz COLBSKURHHHZMZ-FRQCXROJSA-N 1 0 320.392 3.001 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(O[C@@H]3CCC[C@]34CC[NH2+]C4)sc2c1 ZINC001218094759 1094599654 /nfs/dbraw/zinc/59/96/54/1094599654.db2.gz NNWCYECRFRNOEQ-UKRRQHHQSA-N 1 0 319.386 3.116 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218115595 1094613922 /nfs/dbraw/zinc/61/39/22/1094613922.db2.gz OGMZGNRGYZUUFS-QWHCGFSZSA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[C@]23CC[NH2+]C3)c(Cl)c1 ZINC001218120733 1094618014 /nfs/dbraw/zinc/61/80/14/1094618014.db2.gz WONGNPZACYFVIU-DGCLKSJQSA-N 1 0 317.172 3.423 20 5 DGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001218187873 1094647588 /nfs/dbraw/zinc/64/75/88/1094647588.db2.gz OHMFEYDXMJDPOZ-KYZUINATSA-N 1 0 302.733 3.297 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3CCC4(C[NH2+]C4)C3)nc2c1 ZINC001218234354 1094670282 /nfs/dbraw/zinc/67/02/82/1094670282.db2.gz FUONMORGEKCEDV-CYBMUJFWSA-N 1 0 305.381 3.304 20 5 DGBDRO F[C@@H]1[C@H]2CC[C@@H](C[C@@H]1Oc1ccc3nc4ccccc4nc3c1)[NH2+]2 ZINC001218269885 1094689055 /nfs/dbraw/zinc/68/90/55/1094689055.db2.gz HTGBLMHHOIUIBH-BDGZYUFMSA-N 1 0 323.371 3.393 20 5 DGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C[NH2+][C@@H]2C)c1Cl ZINC001218383722 1094742348 /nfs/dbraw/zinc/74/23/48/1094742348.db2.gz HFCGZZKRLPXZHO-LDWIPMOCSA-N 1 0 305.161 3.203 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC23CC3)c(Cl)cc1Cl ZINC001218398019 1094751002 /nfs/dbraw/zinc/75/10/02/1094751002.db2.gz AWRZSOJPPKJTAJ-GFCCVEGCSA-N 1 0 317.172 3.423 20 5 DGBDRO C[C@H]1CC[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[NH2+]1 ZINC001218401830 1094753577 /nfs/dbraw/zinc/75/35/77/1094753577.db2.gz IJFBTGALYZIGFS-GZMMTYOYSA-N 1 0 304.268 3.133 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC001218420966 1094766390 /nfs/dbraw/zinc/76/63/90/1094766390.db2.gz VEMPKWPBRVNXQR-YVEFUNNKSA-N 1 0 309.365 3.323 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(Cl)cc1Cl ZINC001218441948 1094776688 /nfs/dbraw/zinc/77/66/88/1094776688.db2.gz KUBRUNLJGAWVRU-JSTDYGSISA-N 1 0 303.145 3.031 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@H]3[C@@H]4CC[C@H]3[NH2+]C4)ccc21 ZINC001218444357 1094778305 /nfs/dbraw/zinc/77/83/05/1094778305.db2.gz LMFWDIOXWPQXKX-VWCVUJCZSA-N 1 0 307.349 3.075 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)ccc21 ZINC001218458568 1094788809 /nfs/dbraw/zinc/78/88/09/1094788809.db2.gz BUFDKDOYMYTLQH-XHBKTUGNSA-N 1 0 321.376 3.323 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]Cc3ccccc32)c(Cl)c1 ZINC001218486715 1094811544 /nfs/dbraw/zinc/81/15/44/1094811544.db2.gz QJMMPDPMFSLQPH-OAHLLOKOSA-N 1 0 304.733 3.472 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC001218488673 1094813883 /nfs/dbraw/zinc/81/38/83/1094813883.db2.gz RCPYUFUCGLXMCY-HNNXBMFYSA-N 1 0 304.733 3.472 20 5 DGBDRO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001122168123 1094916004 /nfs/dbraw/zinc/91/60/04/1094916004.db2.gz YBKOEMORNPAWSJ-WBMJQRKESA-N 1 0 319.405 3.070 20 5 DGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000312221478 1094978048 /nfs/dbraw/zinc/97/80/48/1094978048.db2.gz AMMRTCMYOFJELT-GFCCVEGCSA-N 1 0 302.733 3.154 20 5 DGBDRO CCCN1CCCC[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC001116114804 1095458894 /nfs/dbraw/zinc/45/88/94/1095458894.db2.gz CCIQRXURISHURK-INIZCTEOSA-N 1 0 320.389 3.211 20 5 DGBDRO Cn1cc(C[NH2+]C/C=C\C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001117721921 1095815121 /nfs/dbraw/zinc/81/51/21/1095815121.db2.gz CKNVUXXMQZKNIN-IHWYPQMZSA-N 1 0 312.373 3.051 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccc(C(F)F)c2)c1 ZINC001118156569 1095948883 /nfs/dbraw/zinc/94/88/83/1095948883.db2.gz YBSLGPUNDKMKLH-OAHLLOKOSA-N 1 0 322.311 3.356 20 5 DGBDRO C[C@H](O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC001223427103 1095966408 /nfs/dbraw/zinc/96/64/08/1095966408.db2.gz GVIOVDCWGLRWSY-FAYQHZLMSA-N 1 0 304.390 3.403 20 5 DGBDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001118325036 1095982976 /nfs/dbraw/zinc/98/29/76/1095982976.db2.gz BTYGDOIXXBWLEL-HLLBOEOZSA-N 1 0 303.406 3.045 20 5 DGBDRO COc1ccc(COC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001223518648 1095991335 /nfs/dbraw/zinc/99/13/35/1095991335.db2.gz UUOFEJMONUEJDO-UHFFFAOYSA-N 1 0 322.405 3.383 20 5 DGBDRO CCOC(=O)[C@H](O[C@@H](C)C[N+](C)(C)C)c1ccccc1Cl ZINC001223771060 1096060091 /nfs/dbraw/zinc/06/00/91/1096060091.db2.gz GVLQMXSCJOHNDT-SWLSCSKDSA-N 1 0 314.833 3.056 20 5 DGBDRO C[NH+]1CCC(OCc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001224201415 1096161292 /nfs/dbraw/zinc/16/12/92/1096161292.db2.gz AVJOVNVVCIRNFN-UHFFFAOYSA-N 1 0 300.358 3.359 20 5 DGBDRO CC[N@@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224204949 1096162671 /nfs/dbraw/zinc/16/26/71/1096162671.db2.gz WPDAOQGLWKHLFZ-CQSZACIVSA-N 1 0 300.358 3.359 20 5 DGBDRO [NH3+]CCc1cc2ccccc2n1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001171303977 1096230066 /nfs/dbraw/zinc/23/00/66/1096230066.db2.gz ACIINJRQMQTTTP-UHFFFAOYSA-N 1 0 316.748 3.088 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001225574582 1096470799 /nfs/dbraw/zinc/47/07/99/1096470799.db2.gz FOEQPUFLKBYIKD-OAHLLOKOSA-N 1 0 316.332 3.387 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001225601194 1096479676 /nfs/dbraw/zinc/47/96/76/1096479676.db2.gz NCWFIJUIBHKOAY-UHFFFAOYSA-N 1 0 323.349 3.063 20 5 DGBDRO C[NH+](C)CC[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC001225629211 1096488669 /nfs/dbraw/zinc/48/86/69/1096488669.db2.gz GVTZBRUUBYNBMS-CQSZACIVSA-N 1 0 301.346 3.062 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cccc([N+](=O)[O-])c1Cl ZINC001225789290 1096529940 /nfs/dbraw/zinc/52/99/40/1096529940.db2.gz RNRLECFWLNWBPR-HBYGRHMLSA-N 1 0 310.781 3.357 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[C@H]([NH+](C)C)CC2)c1 ZINC001225804656 1096534396 /nfs/dbraw/zinc/53/43/96/1096534396.db2.gz XDNIPEIPNRVPOG-HDJSIYSDSA-N 1 0 306.362 3.049 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001225897812 1096557239 /nfs/dbraw/zinc/55/72/39/1096557239.db2.gz NWZXXTCKJXBPIV-SECBINFHSA-N 1 0 321.299 3.118 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225919164 1096565007 /nfs/dbraw/zinc/56/50/07/1096565007.db2.gz QLYFTZXHIKQJIN-NSHDSACASA-N 1 0 318.295 3.477 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226199760 1096636777 /nfs/dbraw/zinc/63/67/77/1096636777.db2.gz ZOLJYHYHYJAUJL-VIFPVBQESA-N 1 0 302.733 3.250 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001226301995 1096656538 /nfs/dbraw/zinc/65/65/38/1096656538.db2.gz TUYUZZQBTORLMI-NSHDSACASA-N 1 0 318.295 3.477 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC001226513575 1096710576 /nfs/dbraw/zinc/71/05/76/1096710576.db2.gz BVTMPMBOUWYJMZ-ZDUSSCGKSA-N 1 0 312.389 3.420 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H](CC[NH+](C)C)c1ccccc1 ZINC001226762452 1096769569 /nfs/dbraw/zinc/76/95/69/1096769569.db2.gz UYNKJOZYTCDVDT-MRXNPFEDSA-N 1 0 315.373 3.370 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001226908514 1096812097 /nfs/dbraw/zinc/81/20/97/1096812097.db2.gz JCNOQMOUAMDHOO-SECBINFHSA-N 1 0 304.749 3.496 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H](CC[NH+](C)C)c2cccs2)n1 ZINC001227062509 1096858004 /nfs/dbraw/zinc/85/80/04/1096858004.db2.gz ONAOELFTCIXAQP-ZDUSSCGKSA-N 1 0 321.402 3.432 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c(Br)ccnc12 ZINC001227931086 1097015320 /nfs/dbraw/zinc/01/53/20/1097015320.db2.gz DHUSDWTWPDOYGI-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228138579 1097060524 /nfs/dbraw/zinc/06/05/24/1097060524.db2.gz MJFBJPITBUYAKL-GFCCVEGCSA-N 1 0 301.346 3.006 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228139660 1097060636 /nfs/dbraw/zinc/06/06/36/1097060636.db2.gz WFHVEILYJVUODS-GFCCVEGCSA-N 1 0 301.346 3.005 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)oc1ccccc1c2=O ZINC001228182123 1097069838 /nfs/dbraw/zinc/06/98/38/1097069838.db2.gz BHFDTYIXFASUGF-CYBMUJFWSA-N 1 0 312.389 3.420 20 5 DGBDRO COC(=O)c1cc2oc(C)cc2c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001228693233 1097169893 /nfs/dbraw/zinc/16/98/93/1097169893.db2.gz IXDIIEYHUSEHRS-GFCCVEGCSA-N 1 0 306.382 3.001 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228931483 1097220127 /nfs/dbraw/zinc/22/01/27/1097220127.db2.gz VXUPNKFLSIQICH-SNVBAGLBSA-N 1 0 318.295 3.477 20 5 DGBDRO CC[NH+]1CCC(Oc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001229006075 1097235474 /nfs/dbraw/zinc/23/54/74/1097235474.db2.gz RCQCOOVMEBVXHP-UHFFFAOYSA-N 1 0 301.346 3.006 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1ccccn1)CC2 ZINC001172899142 1097267718 /nfs/dbraw/zinc/26/77/18/1097267718.db2.gz ULRYTTCEMYSHKK-KRWDZBQOSA-N 1 0 311.385 3.070 20 5 DGBDRO C[C@@]1(O)CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907882 1097269776 /nfs/dbraw/zinc/26/97/76/1097269776.db2.gz IPHHSKAWRKZSDU-SJLPKXTDSA-N 1 0 318.417 3.079 20 5 DGBDRO Cc1ccnc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172895268 1097278390 /nfs/dbraw/zinc/27/83/90/1097278390.db2.gz BITRIYKRBHXNSE-INIZCTEOSA-N 1 0 311.385 3.335 20 5 DGBDRO CO[C@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909583 1097291642 /nfs/dbraw/zinc/29/16/42/1097291642.db2.gz SYPKULOSOIQELL-JZXOWHBKSA-N 1 0 318.417 3.389 20 5 DGBDRO CC[NH+](CC)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014550 1097306413 /nfs/dbraw/zinc/30/64/13/1097306413.db2.gz RRSOUAUKKFINIW-UHFFFAOYSA-N 1 0 313.348 3.184 20 5 DGBDRO CC(C)(C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007476 1097306868 /nfs/dbraw/zinc/30/68/68/1097306868.db2.gz QSWTZYPKLLZERM-UHFFFAOYSA-N 1 0 313.348 3.230 20 5 DGBDRO O=[N+]([O-])C[C@@H](Oc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC001229448259 1097323203 /nfs/dbraw/zinc/32/32/03/1097323203.db2.gz HCDDYWWIVWPSDL-QGZVFWFLSA-N 1 0 304.390 3.107 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1CNC(=O)OC(C)(C)C ZINC001229589781 1097349461 /nfs/dbraw/zinc/34/94/61/1097349461.db2.gz HLZRIOJLWITUFK-CQSZACIVSA-O 1 0 323.457 3.185 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1c(Br)ccc(F)c1F ZINC001229613772 1097353248 /nfs/dbraw/zinc/35/32/48/1097353248.db2.gz HXAPDIKYZHIZDG-MRVPVSSYSA-N 1 0 309.174 3.201 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CC=CCC2)c1F ZINC001173177512 1097355842 /nfs/dbraw/zinc/35/58/42/1097355842.db2.gz BBZCSUWHIAUZNT-NWDGAFQWSA-N 1 0 308.353 3.372 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2CCCC2)c1F ZINC001173174682 1097356262 /nfs/dbraw/zinc/35/62/62/1097356262.db2.gz ARUGDYGEVCHYBV-NSHDSACASA-N 1 0 310.369 3.453 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(C)(C)C2CC2)c1F ZINC001173177928 1097356403 /nfs/dbraw/zinc/35/64/03/1097356403.db2.gz YIHLZFDCOAXVKX-JTQLQIEISA-N 1 0 310.369 3.452 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)C2CCC2)c1F ZINC001173181450 1097357032 /nfs/dbraw/zinc/35/70/32/1097357032.db2.gz WLXZQXIIDQECSQ-GHMZBOCLSA-N 1 0 310.369 3.452 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CC2CCC2)c1F ZINC001173190547 1097358170 /nfs/dbraw/zinc/35/81/70/1097358170.db2.gz VNLMOLTXHQJLDT-NSHDSACASA-N 1 0 310.369 3.405 20 5 DGBDRO CCCN(CCC)CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215330 1097366630 /nfs/dbraw/zinc/36/66/30/1097366630.db2.gz VASSJZBKBUZSSI-OAHLLOKOSA-N 1 0 307.438 3.237 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2cc(C[NH3+])cnc21 ZINC001173215319 1097366714 /nfs/dbraw/zinc/36/67/14/1097366714.db2.gz UVDXZXDWYFSVQG-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC001173215087 1097366812 /nfs/dbraw/zinc/36/68/12/1097366812.db2.gz RTJFMCJYDNMBHT-DYVFJYSZSA-N 1 0 312.369 3.119 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH3+])c(F)c1 ZINC001173218335 1097369592 /nfs/dbraw/zinc/36/95/92/1097369592.db2.gz AIPBTWPLBFCZCO-NSHDSACASA-N 1 0 303.337 3.236 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCCCCCO ZINC001173220534 1097371133 /nfs/dbraw/zinc/37/11/33/1097371133.db2.gz FSDNEYOXSRVJBF-OAHLLOKOSA-N 1 0 308.422 3.448 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(F)(F)[C@H](F)C1 ZINC001173220599 1097372368 /nfs/dbraw/zinc/37/23/68/1097372368.db2.gz BCDVVKNAUKLWMT-ZWNOBZJWSA-N 1 0 302.296 3.205 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CC2CC2)CCOCC1 ZINC001173226130 1097375254 /nfs/dbraw/zinc/37/52/54/1097375254.db2.gz VAVZWMJDFKFDFH-CQSZACIVSA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001173234881 1097378064 /nfs/dbraw/zinc/37/80/64/1097378064.db2.gz ULOSKYVRRFMHQU-HIFRSBDPSA-N 1 0 322.380 3.119 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nc2ccccc2n1C ZINC001173209768 1097380321 /nfs/dbraw/zinc/38/03/21/1097380321.db2.gz FSEORSJJZUITED-ZDUSSCGKSA-N 1 0 324.384 3.202 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CCO)c1ccccc1 ZINC001173209269 1097380331 /nfs/dbraw/zinc/38/03/31/1097380331.db2.gz AYBACQCGQALTSW-KBXCAEBGSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1ccc(F)cc1 ZINC001173212925 1097381433 /nfs/dbraw/zinc/38/14/33/1097381433.db2.gz CUPBIWAHDHIEJC-ZDUSSCGKSA-N 1 0 318.348 3.334 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C)CC12CCCC2 ZINC001173238387 1097394133 /nfs/dbraw/zinc/39/41/33/1097394133.db2.gz RBUVGXFSYDZZOD-OAHLLOKOSA-N 1 0 317.433 3.086 20 5 DGBDRO CC[NH+]1CCC(Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001229831523 1097394641 /nfs/dbraw/zinc/39/46/41/1097394641.db2.gz MPRRCHXQQAFROV-UHFFFAOYSA-N 1 0 318.295 3.477 20 5 DGBDRO CC(=O)c1ccc(C(F)(F)F)cc1O[C@H](C)C[N+](C)(C)C ZINC001229924628 1097413442 /nfs/dbraw/zinc/41/34/42/1097413442.db2.gz VACCCHXIDCXTNL-SNVBAGLBSA-N 1 0 304.332 3.382 20 5 DGBDRO COC(=O)c1ccc2sccc2c1O[C@@H](C)C[N+](C)(C)C ZINC001230074418 1097442085 /nfs/dbraw/zinc/44/20/85/1097442085.db2.gz UOJOEECYPCTPOB-NSHDSACASA-N 1 0 308.423 3.161 20 5 DGBDRO COC(=O)c1ccc2ccccc2c1O[C@@H](C)C[N+](C)(C)C ZINC001230219175 1097458454 /nfs/dbraw/zinc/45/84/54/1097458454.db2.gz LCDLTMCQBHBIRG-ZDUSSCGKSA-N 1 0 302.394 3.100 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(CCC(=O)C(F)(F)F)cc1 ZINC001230644058 1097544016 /nfs/dbraw/zinc/54/40/16/1097544016.db2.gz ZBJWQZWMQZVQDA-LBPRGKRZSA-N 1 0 318.359 3.224 20 5 DGBDRO COCCC[NH+]1CCC(Oc2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC001231055501 1097657044 /nfs/dbraw/zinc/65/70/44/1097657044.db2.gz CXMDAKVRIXFQKT-UHFFFAOYSA-N 1 0 322.405 3.091 20 5 DGBDRO O=[N+]([O-])c1cccc2cc(OC3CC[NH+](C4CC4)CC3)cnc21 ZINC001231155543 1097683893 /nfs/dbraw/zinc/68/38/93/1097683893.db2.gz ASGCFYGKLCYDBM-UHFFFAOYSA-N 1 0 313.357 3.149 20 5 DGBDRO OC[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232218021 1097970193 /nfs/dbraw/zinc/97/01/93/1097970193.db2.gz CNYYNODDRPKXKX-OAHLLOKOSA-N 1 0 321.424 3.377 20 5 DGBDRO CO[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218762 1097970730 /nfs/dbraw/zinc/97/07/30/1097970730.db2.gz GRFPRNDVXWLIJE-QGZVFWFLSA-N 1 0 307.397 3.394 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@@]4(CCOC4)C3)nc12 ZINC001232219043 1097971191 /nfs/dbraw/zinc/97/11/91/1097971191.db2.gz PKZPVFFXMYRGPD-HXUWFJFHSA-N 1 0 319.408 3.395 20 5 DGBDRO OC[C@@H]1CCCC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219892 1097972055 /nfs/dbraw/zinc/97/20/55/1097972055.db2.gz VXLIJFSGCWBNAL-KRWDZBQOSA-N 1 0 307.397 3.130 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)nc12 ZINC001232224467 1097972688 /nfs/dbraw/zinc/97/26/88/1097972688.db2.gz IOOXEZKJMQVBST-IRXDYDNUSA-N 1 0 319.408 3.251 20 5 DGBDRO C[N@H+](Cc1ccc2ccc3cccnc3c2n1)CC1(C)COC1 ZINC001232223071 1097973724 /nfs/dbraw/zinc/97/37/24/1097973724.db2.gz JSSIGPQQGLTCSF-UHFFFAOYSA-N 1 0 307.397 3.251 20 5 DGBDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001176010123 1098231154 /nfs/dbraw/zinc/23/11/54/1098231154.db2.gz PJSVMBQFYZDAGY-AWEZNQCLSA-N 1 0 322.405 3.253 20 5 DGBDRO Cc1nc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC001176078266 1098243801 /nfs/dbraw/zinc/24/38/01/1098243801.db2.gz QWGALZULLCSDID-MRXNPFEDSA-N 1 0 314.389 3.314 20 5 DGBDRO Cc1nc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC001176078265 1098243844 /nfs/dbraw/zinc/24/38/44/1098243844.db2.gz QWGALZULLCSDID-INIZCTEOSA-N 1 0 314.389 3.314 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC001176086210 1098245904 /nfs/dbraw/zinc/24/59/04/1098245904.db2.gz FNEHOXIONMLJTR-APWZRJJASA-N 1 0 324.380 3.247 20 5 DGBDRO Cc1ccnc([N+](=O)[O-])c1O[C@H](CC[NH+](C)C)c1ccccc1 ZINC001233556253 1098375593 /nfs/dbraw/zinc/37/55/93/1098375593.db2.gz LNFTXTQFODOQFS-OAHLLOKOSA-N 1 0 315.373 3.370 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCSC[C@H]1C1CC1 ZINC001176639900 1098395826 /nfs/dbraw/zinc/39/58/26/1098395826.db2.gz JXCITUKQNHEBMO-HNNXBMFYSA-N 1 0 322.430 3.321 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233698366 1098411785 /nfs/dbraw/zinc/41/17/85/1098411785.db2.gz LBZFDKGCGGZKBF-LLVKDONJSA-N 1 0 300.305 3.125 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001176783353 1098430052 /nfs/dbraw/zinc/43/00/52/1098430052.db2.gz VBRBDJGHXJSOCQ-CQSZACIVSA-N 1 0 319.405 3.496 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2c3cccnc3ccc2[N+](=O)[O-])CC1 ZINC001233785999 1098430644 /nfs/dbraw/zinc/43/06/44/1098430644.db2.gz KWMWTOSXTDXHIG-JOCQHMNTSA-N 1 0 315.373 3.395 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC001233855131 1098443637 /nfs/dbraw/zinc/44/36/37/1098443637.db2.gz NNQHGDPLURFFGT-INIZCTEOSA-N 1 0 313.357 3.033 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1ccnc([N+](=O)[O-])c1)c1cccs1 ZINC001233858282 1098443660 /nfs/dbraw/zinc/44/36/60/1098443660.db2.gz TVMHKFKSXXILEF-LBPRGKRZSA-N 1 0 307.375 3.123 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC001233855132 1098443980 /nfs/dbraw/zinc/44/39/80/1098443980.db2.gz NNQHGDPLURFFGT-MRXNPFEDSA-N 1 0 313.357 3.033 20 5 DGBDRO O=[N+]([O-])c1cc(OC2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC001233855381 1098443996 /nfs/dbraw/zinc/44/39/96/1098443996.db2.gz RFYASRNLGJNPKP-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO COC(=O)c1ccc2ccc(O[C@@H](C)C[N+](C)(C)C)cc2c1 ZINC001233936113 1098461876 /nfs/dbraw/zinc/46/18/76/1098461876.db2.gz WBBAQPVTGQBQOU-ZDUSSCGKSA-N 1 0 302.394 3.100 20 5 DGBDRO COC(=O)c1ccc2ccc(O[C@H](C)C[N+](C)(C)C)cc2c1 ZINC001233936112 1098462042 /nfs/dbraw/zinc/46/20/42/1098462042.db2.gz WBBAQPVTGQBQOU-CYBMUJFWSA-N 1 0 302.394 3.100 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCC[C@H](C)C1 ZINC001177262212 1098508744 /nfs/dbraw/zinc/50/87/44/1098508744.db2.gz QNEKFVISVWSILX-ZDUSSCGKSA-N 1 0 305.422 3.033 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(=O)oc(-c2ccccc2Cl)c1 ZINC001234834791 1098674430 /nfs/dbraw/zinc/67/44/30/1098674430.db2.gz KQJOFEPWGKJPLO-GFCCVEGCSA-N 1 0 322.812 3.434 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](CO)CC1CCCC1 ZINC001178584731 1098867031 /nfs/dbraw/zinc/86/70/31/1098867031.db2.gz OFJQRIBOVHUKDC-MRXNPFEDSA-N 1 0 320.433 3.490 20 5 DGBDRO COc1cc(C[NH2+]CC2CCC3(CC3)CC2)c([N+](=O)[O-])cc1O ZINC001179284888 1099052767 /nfs/dbraw/zinc/05/27/67/1099052767.db2.gz BDSYWAJWWKPJOX-UHFFFAOYSA-N 1 0 320.389 3.369 20 5 DGBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001179646672 1099153223 /nfs/dbraw/zinc/15/32/23/1099153223.db2.gz UORROGVZAWZJGI-IAQYHMDHSA-N 1 0 318.398 3.448 20 5 DGBDRO CC(C)[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001179830274 1099213901 /nfs/dbraw/zinc/21/39/01/1099213901.db2.gz OFYDSNVALYQNDJ-HNNXBMFYSA-N 1 0 320.414 3.430 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](CCO)Cc1ccccc1 ZINC001180375683 1099387820 /nfs/dbraw/zinc/38/78/20/1099387820.db2.gz WQUUFOCUENOOCK-UHFFFAOYSA-N 1 0 314.385 3.206 20 5 DGBDRO C[C@@H](C(=O)Nc1cc2cccnc2c2ncccc12)[NH+]1CCCC1 ZINC001180584865 1099466140 /nfs/dbraw/zinc/46/61/40/1099466140.db2.gz WZGSFLCVUKSPCY-ZDUSSCGKSA-N 1 0 320.396 3.206 20 5 DGBDRO Cc1nnc([C@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC001180674096 1099488982 /nfs/dbraw/zinc/48/89/82/1099488982.db2.gz SGHBSQWOXDLEKC-MNOVXSKESA-N 1 0 320.418 3.427 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C2CCCC2)CC1 ZINC001191351244 1100449488 /nfs/dbraw/zinc/44/94/88/1100449488.db2.gz ZCPQSFPCNUHCHD-UHFFFAOYSA-N 1 0 306.410 3.002 20 5 DGBDRO C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193251014 1100721179 /nfs/dbraw/zinc/72/11/79/1100721179.db2.gz SYXPGMGODIFBBJ-HOCLYGCPSA-N 1 0 317.433 3.337 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2COC3(CCCCC3)O2)cccc1[N+](=O)[O-] ZINC001201684439 1102703630 /nfs/dbraw/zinc/70/36/30/1102703630.db2.gz JASHXHNQNGUILN-HNNXBMFYSA-N 1 0 320.389 3.069 20 5 DGBDRO COc1ccc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC001329746577 1104377427 /nfs/dbraw/zinc/37/74/27/1104377427.db2.gz YBCCBFUSCPFJRC-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c(C)o1 ZINC001330626366 1104598059 /nfs/dbraw/zinc/59/80/59/1104598059.db2.gz ODYBGQYUPFDMAF-QFWMXSHPSA-N 1 0 304.350 3.055 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615877 1104629963 /nfs/dbraw/zinc/62/99/63/1104629963.db2.gz UCXFCPHMNFCDTJ-MAUKXSAKSA-N 1 0 317.433 3.134 20 5 DGBDRO C[N@H+]([C@H]1CCCC[C@@H]1N)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246921832 1104738029 /nfs/dbraw/zinc/73/80/29/1104738029.db2.gz SLZOSYOCIVVHAZ-NJAFHUGGSA-N 1 0 317.433 3.044 20 5 DGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(Cn2ccnc2)cc1 ZINC001249548709 1105309569 /nfs/dbraw/zinc/30/95/69/1105309569.db2.gz QLTRJCNHMLXKPD-UHFFFAOYSA-N 1 0 309.329 3.287 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(Cl)s1 ZINC001254531687 1105455059 /nfs/dbraw/zinc/45/50/59/1105455059.db2.gz GXHVRJTZWLOIMT-VIFPVBQESA-N 1 0 311.794 3.426 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC(C)(C)C2(C)C)c([N+](=O)[O-])c1 ZINC001252638391 1105808414 /nfs/dbraw/zinc/80/84/14/1105808414.db2.gz PMJYJUSFLJEWNF-UHFFFAOYSA-N 1 0 308.378 3.103 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[C@@H](F)CC3)CC2)cc1 ZINC001254465202 1106077226 /nfs/dbraw/zinc/07/72/26/1106077226.db2.gz SWUUNIBAQARTIR-OKILXGFUSA-N 1 0 321.396 3.434 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCC[C@H](F)C3)CC2)cc1 ZINC001254473567 1106078187 /nfs/dbraw/zinc/07/81/87/1106078187.db2.gz FRIRSJHGWQZEQN-AWEZNQCLSA-N 1 0 321.396 3.388 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cc2cc(C[NH3+])ccc2n1 ZINC001254535820 1106097736 /nfs/dbraw/zinc/09/77/36/1106097736.db2.gz LQNCVHXDIIJTFB-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)c1ccccc1 ZINC001254536519 1106098217 /nfs/dbraw/zinc/09/82/17/1106098217.db2.gz PSZITXWWNDZIAU-OAHLLOKOSA-N 1 0 313.401 3.252 20 5 DGBDRO C[C@H](CCCC(C)(C)O)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540756 1106098619 /nfs/dbraw/zinc/09/86/19/1106098619.db2.gz VYSDJTUABZZAAJ-ZIAGYGMSSA-N 1 0 308.422 3.445 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H](C[NH3+])c2ccccc21 ZINC001254543464 1106099947 /nfs/dbraw/zinc/09/99/47/1106099947.db2.gz SDGSDCKNZCPDHU-DZGCQCFKSA-N 1 0 311.385 3.088 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C)[C@@](C)(O)CC1 ZINC001254551857 1106101189 /nfs/dbraw/zinc/10/11/89/1106101189.db2.gz GKRHRNBCUJGBOV-VBQJREDUSA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001254551469 1106101267 /nfs/dbraw/zinc/10/12/67/1106101267.db2.gz BOYDKJWKOAKTDC-DYVFJYSZSA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(CO)CC1 ZINC001254553744 1106102462 /nfs/dbraw/zinc/10/24/62/1106102462.db2.gz YISFSOLXPMRKKV-PBHICJAKSA-N 1 0 306.406 3.010 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001254560112 1106103949 /nfs/dbraw/zinc/10/39/49/1106103949.db2.gz PEVSUSLSECXMDO-ZFWWWQNUSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001254559775 1106103980 /nfs/dbraw/zinc/10/39/80/1106103980.db2.gz MOJATHJNQAGXME-ZYHUDNBSSA-N 1 0 302.296 3.410 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001254561253 1106104255 /nfs/dbraw/zinc/10/42/55/1106104255.db2.gz KOAOLZJTSVEXRM-RPCCPQHDSA-N 1 0 304.390 3.025 20 5 DGBDRO CCC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001254563681 1106104339 /nfs/dbraw/zinc/10/43/39/1106104339.db2.gz BCFSQZCUAMEQQI-CQSZACIVSA-N 1 0 306.406 3.417 20 5 DGBDRO CC(C)([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)c1ccccc1 ZINC001254567835 1106104822 /nfs/dbraw/zinc/10/48/22/1106104822.db2.gz PGYTVPWKPLNPMZ-MRXNPFEDSA-N 1 0 324.380 3.313 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCc1cccc(F)c1)C2 ZINC001254567837 1106105326 /nfs/dbraw/zinc/10/53/26/1106105326.db2.gz PHSRGHAWWHUGTL-MRXNPFEDSA-N 1 0 300.333 3.033 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(F)ccc1F)C2 ZINC001254571970 1106105973 /nfs/dbraw/zinc/10/59/73/1106105973.db2.gz FMHFYLZHTJMKIE-AWEZNQCLSA-N 1 0 304.296 3.130 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCOc1ccccc1)C2 ZINC001254574899 1106106687 /nfs/dbraw/zinc/10/66/87/1106106687.db2.gz LVCUOCCFJDOGGQ-INIZCTEOSA-N 1 0 312.369 3.121 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCc3ccccc3C1)C2 ZINC001254573543 1106106941 /nfs/dbraw/zinc/10/69/41/1106106941.db2.gz BPNMHRNCVAYNMI-QZTJIDSGSA-N 1 0 308.381 3.209 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCc3ccccc3C1)C2 ZINC001254573545 1106106952 /nfs/dbraw/zinc/10/69/52/1106106952.db2.gz BPNMHRNCVAYNMI-ZWKOTPCHSA-N 1 0 308.381 3.209 20 5 DGBDRO COc1cccc([C@@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572998 1106106985 /nfs/dbraw/zinc/10/69/85/1106106985.db2.gz VDPYMOQITYJVSV-MLGOLLRUSA-N 1 0 312.369 3.421 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)C2 ZINC001254577217 1106107569 /nfs/dbraw/zinc/10/75/69/1106107569.db2.gz DHWWOZZILNEKID-FUHWJXTLSA-N 1 0 309.369 3.198 20 5 DGBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254582361 1106108604 /nfs/dbraw/zinc/10/86/04/1106108604.db2.gz SLNZZBZNNKZSFJ-KXBFYZLASA-N 1 0 324.380 3.348 20 5 DGBDRO CC(C)CC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCOCC1 ZINC001254587965 1106109039 /nfs/dbraw/zinc/10/90/39/1106109039.db2.gz SWZGNJDJKPCLOW-MRXNPFEDSA-N 1 0 318.417 3.247 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc3ncccc13)C2 ZINC001254585878 1106109058 /nfs/dbraw/zinc/10/90/58/1106109058.db2.gz YBRYZHSKQDJUGE-INIZCTEOSA-N 1 0 319.364 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCc3ccccc3C1)C2 ZINC001254584879 1106109283 /nfs/dbraw/zinc/10/92/83/1106109283.db2.gz AURFWOQNJNDVLS-IFXJQAMLSA-N 1 0 322.408 3.457 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC3(CC(F)C3)CC1)C2 ZINC001254595389 1106109921 /nfs/dbraw/zinc/10/99/21/1106109921.db2.gz WKEMNVQXDKZIKZ-MRXNPFEDSA-N 1 0 304.365 3.276 20 5 DGBDRO COc1cccc2c1C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254598822 1106110926 /nfs/dbraw/zinc/11/09/26/1106110926.db2.gz MAUZLLKHVAJIQH-KRWDZBQOSA-N 1 0 324.380 3.129 20 5 DGBDRO Cc1nn(C[N@@H+](CCc2ccccc2)C(C)C)c(C)c1[N+](=O)[O-] ZINC001320705619 1107111947 /nfs/dbraw/zinc/11/19/47/1107111947.db2.gz UVSJWHTYTDFORA-UHFFFAOYSA-N 1 0 316.405 3.319 20 5 DGBDRO CC(C)c1nc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cs1 ZINC001261183696 1107356162 /nfs/dbraw/zinc/35/61/62/1107356162.db2.gz XBTKOGVIPFXNIH-UHFFFAOYSA-N 1 0 320.418 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1(C2CC2)CCOCC1 ZINC001321855744 1107449609 /nfs/dbraw/zinc/44/96/09/1107449609.db2.gz BNCSSGQXGOGXPG-UHFFFAOYSA-N 1 0 310.781 3.297 20 5 DGBDRO COc1ccc(C[N@H+](C)[C@H]2CC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC001322159163 1107546983 /nfs/dbraw/zinc/54/69/83/1107546983.db2.gz PSPICECDFCBDLB-STQMWFEESA-N 1 0 310.419 3.319 20 5 DGBDRO Cc1[nH]c(C2CCN(c3c(C)cncc3[N+](=O)[O-])CC2)[nH+]c1C ZINC001262070445 1107603436 /nfs/dbraw/zinc/60/34/36/1107603436.db2.gz ZYVZHLAAJRVDIL-UHFFFAOYSA-N 1 0 315.377 3.022 20 5 DGBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001322417673 1107668535 /nfs/dbraw/zinc/66/85/35/1107668535.db2.gz ZRRNQPTWPQDXIF-KKUMJFAQSA-N 1 0 318.421 3.140 20 5 DGBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001262558402 1107722966 /nfs/dbraw/zinc/72/29/66/1107722966.db2.gz DHNPXRWAXPAYLS-ZWKOTPCHSA-N 1 0 312.369 3.214 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N(C)C)cccc1[N+](=O)[O-] ZINC001319392918 1108445016 /nfs/dbraw/zinc/44/50/16/1108445016.db2.gz GPMYPXMGGPQYIQ-QRTARXTBSA-N 1 0 305.422 3.427 20 5 DGBDRO COc1cc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC001319690778 1108594242 /nfs/dbraw/zinc/59/42/42/1108594242.db2.gz GUFWFVLHBMVULM-YPMHNXCESA-N 1 0 311.357 3.027 20 5 DGBDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC001319832852 1108655250 /nfs/dbraw/zinc/65/52/50/1108655250.db2.gz UTLLOTFPHLGDCL-MJWHDNRXSA-N 1 0 303.406 3.070 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001306982708 1111257380 /nfs/dbraw/zinc/25/73/80/1111257380.db2.gz OIRJTRMBCMWWBB-KBPBESRZSA-N 1 0 318.421 3.153 20 5 DGBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]21 ZINC001307603813 1111319102 /nfs/dbraw/zinc/31/91/02/1111319102.db2.gz PXCLJRLTXGGVJM-XOKHGSTOSA-N 1 0 304.390 3.484 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001307622178 1111321119 /nfs/dbraw/zinc/32/11/19/1111321119.db2.gz MWEYHKPPFANACW-XNRPHZJLSA-N 1 0 320.389 3.225 20 5 DGBDRO C[N@H+](CCSC(F)(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC001307715669 1111331086 /nfs/dbraw/zinc/33/10/86/1111331086.db2.gz LCSOPDJWDUZVOJ-UHFFFAOYSA-N 1 0 308.325 3.322 20 5 DGBDRO C[C@@H]1CCSCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307739766 1111334053 /nfs/dbraw/zinc/33/40/53/1111334053.db2.gz GMVRNHZKJWHJOB-CYBMUJFWSA-N 1 0 310.419 3.191 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001307854332 1111346637 /nfs/dbraw/zinc/34/66/37/1111346637.db2.gz YXUHGCPCYQWVOQ-UONOGXRCSA-N 1 0 320.389 3.296 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001307967651 1111360580 /nfs/dbraw/zinc/36/05/80/1111360580.db2.gz JJZKMXHJLOBAMK-ROUUACIJSA-N 1 0 323.396 3.054 20 5 DGBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001308064036 1111373155 /nfs/dbraw/zinc/37/31/55/1111373155.db2.gz PJSVMBQFYZDAGY-CQSZACIVSA-N 1 0 322.405 3.253 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C3(O)CCC3)CCC2)c(Cl)c1 ZINC001308066186 1111373521 /nfs/dbraw/zinc/37/35/21/1111373521.db2.gz PYCMIAOJLGPLAK-UHFFFAOYSA-N 1 0 324.808 3.423 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC001308194439 1111394555 /nfs/dbraw/zinc/39/45/55/1111394555.db2.gz FPOZKCLGDXSUJL-CYBMUJFWSA-N 1 0 302.378 3.093 20 5 DGBDRO COc1ccc(O[C@@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001308291963 1111412253 /nfs/dbraw/zinc/41/22/53/1111412253.db2.gz AMHCDECJATZSSM-ZDUSSCGKSA-N 1 0 316.357 3.161 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC001308462546 1111431207 /nfs/dbraw/zinc/43/12/07/1111431207.db2.gz QQWIUDPOXLIMMP-AWEZNQCLSA-N 1 0 305.422 3.174 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccc3nccnc3c2)cc1[N+](=O)[O-] ZINC001308494133 1111434976 /nfs/dbraw/zinc/43/49/76/1111434976.db2.gz CUQHWXWCQGANMN-UHFFFAOYSA-N 1 0 308.341 3.136 20 5 DGBDRO CCCn1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC001308519232 1111437602 /nfs/dbraw/zinc/43/76/02/1111437602.db2.gz QUWGQHMIYUQGTD-GFCCVEGCSA-N 1 0 302.378 3.361 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC001308751651 1111469968 /nfs/dbraw/zinc/46/99/68/1111469968.db2.gz LIEHRRKJBYVDEP-MAUKXSAKSA-N 1 0 317.433 3.270 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC001308987945 1111506016 /nfs/dbraw/zinc/50/60/16/1111506016.db2.gz UYEDLSOWQNDTHD-LBPRGKRZSA-N 1 0 313.829 3.458 20 5 DGBDRO C[NH+](C)CCN(Cc1ccsc1)Cc1ccccc1[N+](=O)[O-] ZINC000459739833 282097852 /nfs/dbraw/zinc/09/78/52/282097852.db2.gz CIAOEEIIQARDHA-UHFFFAOYSA-N 1 0 319.430 3.220 20 5 DGBDRO C[C@@H]1C[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[C@@H](C)O1 ZINC000414259079 230720457 /nfs/dbraw/zinc/72/04/57/230720457.db2.gz FMHHNRUMWGKLAP-BQGCOEIASA-N 1 0 318.417 3.319 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCCOC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000163497800 197634566 /nfs/dbraw/zinc/63/45/66/197634566.db2.gz AMJDHEFELSUGQU-CABCVRRESA-N 1 0 322.405 3.140 20 5 DGBDRO Cc1ncc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000459669487 282156732 /nfs/dbraw/zinc/15/67/32/282156732.db2.gz DIWWUWLMNNQIFL-CJNGLKHVSA-N 1 0 315.373 3.392 20 5 DGBDRO CC[C@H](CSC)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444690835 529409769 /nfs/dbraw/zinc/40/97/69/529409769.db2.gz VYWQTRNOAUOLPJ-SNVBAGLBSA-N 1 0 308.407 3.045 20 5 DGBDRO C[NH+](C)C1(CNc2ccnc3c2cccc3[N+](=O)[O-])CCC1 ZINC000318051311 231166116 /nfs/dbraw/zinc/16/61/16/231166116.db2.gz YGVNSNQDSBCHHK-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000320458854 231195392 /nfs/dbraw/zinc/19/53/92/231195392.db2.gz DLDJWSKNPQQQMT-DGCLKSJQSA-N 1 0 318.295 3.103 20 5 DGBDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000063309348 432004743 /nfs/dbraw/zinc/00/47/43/432004743.db2.gz UJTYRDRZUGVIBO-ZDUSSCGKSA-N 1 0 305.378 3.045 20 5 DGBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000428429214 529574375 /nfs/dbraw/zinc/57/43/75/529574375.db2.gz FNKJDFXQKKSIHL-QGZVFWFLSA-N 1 0 316.357 3.202 20 5 DGBDRO Cc1cc(NCC(C)(C)CCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272841671 210239318 /nfs/dbraw/zinc/23/93/18/210239318.db2.gz NABYDNHIIOOLKA-UHFFFAOYSA-N 1 0 303.362 3.272 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)O ZINC000293019360 529625310 /nfs/dbraw/zinc/62/53/10/529625310.db2.gz ORRXLDIANVEIAA-INIZCTEOSA-N 1 0 318.373 3.494 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC2(CCOC)CC2)cc1[N+](=O)[O-] ZINC000090536013 185301462 /nfs/dbraw/zinc/30/14/62/185301462.db2.gz GVOVONHMBUQKEY-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092380131 185314546 /nfs/dbraw/zinc/31/45/46/185314546.db2.gz SFPLFTPJPGGUCN-UHFFFAOYSA-N 1 0 308.378 3.103 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279303198 214777015 /nfs/dbraw/zinc/77/70/15/214777015.db2.gz QMFGVHAHFLAAIM-STQMWFEESA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000129711265 432008763 /nfs/dbraw/zinc/00/87/63/432008763.db2.gz WVQAESCCMXPAJG-GFCCVEGCSA-N 1 0 314.341 3.217 20 5 DGBDRO C[N@H+](CCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444600539 529934650 /nfs/dbraw/zinc/93/46/50/529934650.db2.gz WVQQUESEOIHTID-UHFFFAOYSA-N 1 0 310.357 3.146 20 5 DGBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297461567 529939731 /nfs/dbraw/zinc/93/97/31/529939731.db2.gz IBDDQBPAROAYMD-IAGOWNOFSA-N 1 0 314.389 3.059 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000104078504 432013671 /nfs/dbraw/zinc/01/36/71/432013671.db2.gz XVUGROPKMQQLPE-KBPBESRZSA-N 1 0 319.405 3.495 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000181840040 199359836 /nfs/dbraw/zinc/35/98/36/199359836.db2.gz SHGQEVZMJSXNSW-CQSZACIVSA-N 1 0 321.421 3.199 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000279663216 215042707 /nfs/dbraw/zinc/04/27/07/215042707.db2.gz DNUAOEWSWTVPEW-VHDGCEQUSA-N 1 0 322.792 3.295 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000119504467 185754071 /nfs/dbraw/zinc/75/40/71/185754071.db2.gz PWLXGOGFDHFSRU-MGPQQGTHSA-N 1 0 319.405 3.338 20 5 DGBDRO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000105900646 432019511 /nfs/dbraw/zinc/01/95/11/432019511.db2.gz UFEXACGFIGGVCR-WMLDXEAASA-N 1 0 314.389 3.498 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000279811889 215167965 /nfs/dbraw/zinc/16/79/65/215167965.db2.gz XKFRMGBCSASLJG-HYVNUMGLSA-N 1 0 316.401 3.075 20 5 DGBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000106439765 432021105 /nfs/dbraw/zinc/02/11/05/432021105.db2.gz GFLQSXGAGNKCAW-RYUDHWBXSA-N 1 0 319.405 3.093 20 5 DGBDRO CSCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000138209508 186014666 /nfs/dbraw/zinc/01/46/66/186014666.db2.gz JFNNWQATHJHIAN-UHFFFAOYSA-N 1 0 321.402 3.087 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000287109415 219318929 /nfs/dbraw/zinc/31/89/29/219318929.db2.gz YJBLKGDHZJUEOQ-INIZCTEOSA-N 1 0 320.776 3.462 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)C1CC1 ZINC000188030352 186246367 /nfs/dbraw/zinc/24/63/67/186246367.db2.gz BHWKCUQLJHAGNO-XYPHTWIQSA-N 1 0 318.417 3.057 20 5 DGBDRO CCC[C@H]([NH2+]CCCOCCOC)c1cccc([N+](=O)[O-])c1 ZINC000268745607 186375525 /nfs/dbraw/zinc/37/55/25/186375525.db2.gz RSLJUEWVBMYPGJ-INIZCTEOSA-N 1 0 310.394 3.079 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000107070557 432027231 /nfs/dbraw/zinc/02/72/31/432027231.db2.gz NQDBMBKXHKRLCZ-STQMWFEESA-N 1 0 313.357 3.273 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000107071333 432027198 /nfs/dbraw/zinc/02/71/98/432027198.db2.gz WTYCYUDNFDSHIM-OLZOCXBDSA-N 1 0 313.357 3.273 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3O)s2)cc1 ZINC000172632421 198129068 /nfs/dbraw/zinc/12/90/68/198129068.db2.gz YGPVWQHRTHLXLO-HUUCEWRRSA-N 1 0 318.398 3.326 20 5 DGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCSC1 ZINC000130637827 432028474 /nfs/dbraw/zinc/02/84/74/432028474.db2.gz WAWPBPOXAMHTQZ-NSHDSACASA-N 1 0 318.345 3.134 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173388758 198209313 /nfs/dbraw/zinc/20/93/13/198209313.db2.gz YBVPNIZYXHTFAE-LSDHHAIUSA-N 1 0 305.422 3.366 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173386081 198209333 /nfs/dbraw/zinc/20/93/33/198209333.db2.gz SPWXMMZRMVVXJW-QWHCGFSZSA-N 1 0 302.378 3.087 20 5 DGBDRO Cc1cccc(C(=O)NCCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000173608231 198231438 /nfs/dbraw/zinc/23/14/38/198231438.db2.gz QCCPOTAYJODDAU-UHFFFAOYSA-N 1 0 321.421 3.142 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CSCCS2)cccc1[N+](=O)[O-] ZINC000165752358 432056963 /nfs/dbraw/zinc/05/69/63/432056963.db2.gz QRJXSNGDJNECAY-NWDGAFQWSA-N 1 0 312.460 3.402 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000276689964 213049524 /nfs/dbraw/zinc/04/95/24/213049524.db2.gz UOARDRYLTXQGNN-MJBXVCDLSA-N 1 0 324.446 3.216 20 5 DGBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCOC1 ZINC000180158284 199125164 /nfs/dbraw/zinc/12/51/64/199125164.db2.gz VWRKZKGXKDGGHK-ZDUSSCGKSA-N 1 0 316.357 3.323 20 5 DGBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000237310298 202225780 /nfs/dbraw/zinc/22/57/80/202225780.db2.gz JIHHQFKIKXYLTB-ZDUSSCGKSA-N 1 0 300.358 3.411 20 5 DGBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180857955 199219376 /nfs/dbraw/zinc/21/93/76/199219376.db2.gz HCHDZUXZMGHZND-TZMCWYRMSA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180855479 199218983 /nfs/dbraw/zinc/21/89/83/199218983.db2.gz TYYKGGJQOJHHKN-JSGCOSHPSA-N 1 0 316.357 3.058 20 5 DGBDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000180884466 199223205 /nfs/dbraw/zinc/22/32/05/199223205.db2.gz LITBBMFDADLPAH-UHFFFAOYSA-N 1 0 315.373 3.457 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000415101307 237075261 /nfs/dbraw/zinc/07/52/61/237075261.db2.gz AZFSINXCAUWXKP-ZAOIQFLMSA-N 1 0 323.396 3.255 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000415101305 237076140 /nfs/dbraw/zinc/07/61/40/237076140.db2.gz AZFSINXCAUWXKP-SMTIMMHKSA-N 1 0 323.396 3.255 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNCCC[NH2+]C2CC2)o1 ZINC000415071763 237056541 /nfs/dbraw/zinc/05/65/41/237056541.db2.gz UQVNJTFWUHIRDU-UHFFFAOYSA-N 1 0 315.373 3.087 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415486788 237207386 /nfs/dbraw/zinc/20/73/86/237207386.db2.gz SBFUPZVGZLHQLT-CYBMUJFWSA-N 1 0 322.409 3.049 20 5 DGBDRO CC(C)(O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000187498659 200119734 /nfs/dbraw/zinc/11/97/34/200119734.db2.gz MBYQWMZBAQJKQO-UHFFFAOYSA-N 1 0 300.358 3.112 20 5 DGBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449672786 240356716 /nfs/dbraw/zinc/35/67/16/240356716.db2.gz XPSKZECBASNHKT-NSHDSACASA-N 1 0 304.321 3.160 20 5 DGBDRO Cc1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000188246339 200215888 /nfs/dbraw/zinc/21/58/88/200215888.db2.gz FOQOYEUXIPAJFX-KRWDZBQOSA-N 1 0 304.390 3.294 20 5 DGBDRO CCOC1CC(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000188774107 200301306 /nfs/dbraw/zinc/30/13/06/200301306.db2.gz FIFFPRLNYBLWIF-FNORWQNLSA-N 1 0 304.390 3.403 20 5 DGBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000189121542 200352137 /nfs/dbraw/zinc/35/21/37/200352137.db2.gz ZXLYPTBEGDRQNO-NWDGAFQWSA-N 1 0 304.346 3.368 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428997446 238037422 /nfs/dbraw/zinc/03/74/22/238037422.db2.gz CMSWLDOVWUEZAY-BASYENTBSA-N 1 0 317.433 3.318 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429575845 238055639 /nfs/dbraw/zinc/05/56/39/238055639.db2.gz AWLMRIHPGJPPHF-CHWSQXEVSA-N 1 0 308.378 3.103 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000430240444 238072261 /nfs/dbraw/zinc/07/22/61/238072261.db2.gz UVWMZOWUPQPUBY-HNNXBMFYSA-N 1 0 310.419 3.177 20 5 DGBDRO O=[N+]([O-])c1cccc(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000435726736 238340176 /nfs/dbraw/zinc/34/01/76/238340176.db2.gz RLKLMUIHBBCUFA-SFHVURJKSA-N 1 0 317.433 3.482 20 5 DGBDRO Cc1nc(NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000268487499 432095568 /nfs/dbraw/zinc/09/55/68/432095568.db2.gz MXQRYXIXHNNIGA-AWEZNQCLSA-N 1 0 316.361 3.140 20 5 DGBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193007562 200975653 /nfs/dbraw/zinc/97/56/53/200975653.db2.gz MVYISJCWDAWILF-WBMJQRKESA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193386717 201043179 /nfs/dbraw/zinc/04/31/79/201043179.db2.gz NNLJVOWEMQYVBG-CYBMUJFWSA-N 1 0 306.410 3.244 20 5 DGBDRO CSCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193984736 201158124 /nfs/dbraw/zinc/15/81/24/201158124.db2.gz DODOSFCBMFTYPI-JTQLQIEISA-N 1 0 313.379 3.076 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-n3cccn3)cc2)cc1 ZINC000194416184 201222963 /nfs/dbraw/zinc/22/29/63/201222963.db2.gz FFAMYOMCQMUKJF-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000194415268 201223073 /nfs/dbraw/zinc/22/30/73/201223073.db2.gz HGOMUPKKXFRTJM-LBPRGKRZSA-N 1 0 315.329 3.396 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000442789335 239125417 /nfs/dbraw/zinc/12/54/17/239125417.db2.gz YXFUMBYINMDQOZ-ZDUSSCGKSA-N 1 0 307.353 3.333 20 5 DGBDRO C[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000271851416 209268170 /nfs/dbraw/zinc/26/81/70/209268170.db2.gz ISUOKKIXXQBENW-KBPBESRZSA-N 1 0 306.406 3.434 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195330477 201382231 /nfs/dbraw/zinc/38/22/31/201382231.db2.gz OUTRAONLNJHPJG-UHFFFAOYSA-N 1 0 317.389 3.025 20 5 DGBDRO C[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000271846994 209265027 /nfs/dbraw/zinc/26/50/27/209265027.db2.gz HYCHBRSPPMHVKU-KBPBESRZSA-N 1 0 306.406 3.434 20 5 DGBDRO CC(C)[NH+](CCCNC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000072731663 283758497 /nfs/dbraw/zinc/75/84/97/283758497.db2.gz GXPLCCVMIRIVOK-UHFFFAOYSA-N 1 0 322.409 3.225 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447602869 239670899 /nfs/dbraw/zinc/67/08/99/239670899.db2.gz VWMVUMRDVQLWAZ-GMTAPVOTSA-N 1 0 320.315 3.063 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccccc1O ZINC000449111183 240021732 /nfs/dbraw/zinc/02/17/32/240021732.db2.gz JRYNPXGTSZWYRV-CYBMUJFWSA-N 1 0 300.358 3.064 20 5 DGBDRO CSC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000449169148 240048678 /nfs/dbraw/zinc/04/86/78/240048678.db2.gz COFUDZNRXYZNBW-CYBMUJFWSA-N 1 0 324.446 3.028 20 5 DGBDRO Cc1nc(C)c(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449180483 240054782 /nfs/dbraw/zinc/05/47/82/240054782.db2.gz ZNWZXCJUNGFAOC-SNVBAGLBSA-N 1 0 305.403 3.389 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000449190142 240058402 /nfs/dbraw/zinc/05/84/02/240058402.db2.gz NDNUTKQYZUOYSF-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000449192588 240059437 /nfs/dbraw/zinc/05/94/37/240059437.db2.gz YVPLNTMWJUDRBA-DNNBLBMLSA-N 1 0 304.390 3.073 20 5 DGBDRO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449205653 240068115 /nfs/dbraw/zinc/06/81/15/240068115.db2.gz OIGQZLLOJKHHQH-NWDGAFQWSA-N 1 0 317.393 3.118 20 5 DGBDRO Cc1cccc(CCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449316129 240126891 /nfs/dbraw/zinc/12/68/91/240126891.db2.gz LLRIAVVODBMNRU-HNNXBMFYSA-N 1 0 313.401 3.452 20 5 DGBDRO Cc1nnc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449239777 240086153 /nfs/dbraw/zinc/08/61/53/240086153.db2.gz WQNBRXFJUZCZOR-ZJUUUORDSA-N 1 0 306.391 3.037 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000449240521 240086249 /nfs/dbraw/zinc/08/62/49/240086249.db2.gz NZVVGOAUIWKTNS-ILXRZTDVSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COc2ccc(F)cc21 ZINC000449250308 240092552 /nfs/dbraw/zinc/09/25/52/240092552.db2.gz NVDGPNKRCAOACQ-NHYWBVRUSA-N 1 0 316.332 3.388 20 5 DGBDRO C[C@H](CCO)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449357262 240154736 /nfs/dbraw/zinc/15/47/36/240154736.db2.gz KRWQINLYCAOSFV-ZOBUZTSGSA-N 1 0 320.433 3.304 20 5 DGBDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449378195 240165390 /nfs/dbraw/zinc/16/53/90/240165390.db2.gz CXHCAKWQTAYEGN-SECBINFHSA-N 1 0 312.313 3.103 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000449497819 240247840 /nfs/dbraw/zinc/24/78/40/240247840.db2.gz ARHSSGMVKQJYLP-HOCLYGCPSA-N 1 0 324.808 3.135 20 5 DGBDRO CO[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000449482158 240236392 /nfs/dbraw/zinc/23/63/92/240236392.db2.gz ATEHFCXVULQXAS-QGZVFWFLSA-N 1 0 318.348 3.385 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449482405 240236850 /nfs/dbraw/zinc/23/68/50/240236850.db2.gz YJDRNRHXKPLICB-LSDHHAIUSA-N 1 0 318.417 3.465 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000449528048 240269917 /nfs/dbraw/zinc/26/99/17/240269917.db2.gz MUZOPDROPLSWGG-WMHVBEDNSA-N 1 0 304.415 3.435 20 5 DGBDRO CCn1ccnc1[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449561197 240289074 /nfs/dbraw/zinc/28/90/74/240289074.db2.gz BLJVYAYADJQCTL-CFNZNRNTSA-N 1 0 300.362 3.175 20 5 DGBDRO CC[C@H](C)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091796016 193109913 /nfs/dbraw/zinc/10/99/13/193109913.db2.gz KIIOSIGBFTVLNO-ZDUSSCGKSA-N 1 0 316.405 3.473 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043155 193145763 /nfs/dbraw/zinc/14/57/63/193145763.db2.gz GJCKUFWFWRTEEF-DGDBIBOCSA-N 1 0 315.417 3.024 20 5 DGBDRO Cn1cc(C[N@H+](C)CCC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092067050 193152402 /nfs/dbraw/zinc/15/24/02/193152402.db2.gz GAOVDMXMWCIMGX-UHFFFAOYSA-N 1 0 314.389 3.227 20 5 DGBDRO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000451089931 241003079 /nfs/dbraw/zinc/00/30/79/241003079.db2.gz FUVRTQRTVTVPAR-LBPRGKRZSA-N 1 0 323.824 3.164 20 5 DGBDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451187259 241037568 /nfs/dbraw/zinc/03/75/68/241037568.db2.gz PDEPBNQUMFGEPF-NFAWXSAZSA-N 1 0 314.389 3.095 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451495611 241146415 /nfs/dbraw/zinc/14/64/15/241146415.db2.gz JRUSBQZBPHVGTM-YUELXQCFSA-N 1 0 322.792 3.295 20 5 DGBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000180960402 432108544 /nfs/dbraw/zinc/10/85/44/432108544.db2.gz FHZNGDDCCGUWRK-UHFFFAOYSA-N 1 0 317.336 3.340 20 5 DGBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000451605889 241186017 /nfs/dbraw/zinc/18/60/17/241186017.db2.gz HERGFTRLZQWDSF-BBRMVZONSA-N 1 0 312.385 3.113 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000271791530 209218915 /nfs/dbraw/zinc/21/89/15/209218915.db2.gz WSQWNSIKWDZNRM-ZFWWWQNUSA-N 1 0 320.389 3.240 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000090588405 283991940 /nfs/dbraw/zinc/99/19/40/283991940.db2.gz LAEQZTFOLVKFLH-JSGCOSHPSA-N 1 0 324.421 3.441 20 5 DGBDRO Cc1c(NC(=O)C2C[NH+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000457388554 242743008 /nfs/dbraw/zinc/74/30/08/242743008.db2.gz OBAMUODZAWVEPU-UHFFFAOYSA-N 1 0 317.389 3.106 20 5 DGBDRO CCC[NH+]1CCC(N(C)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461780727 243615762 /nfs/dbraw/zinc/61/57/62/243615762.db2.gz UURSIUUNSDZYEV-UHFFFAOYSA-N 1 0 309.385 3.353 20 5 DGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000464091954 243756461 /nfs/dbraw/zinc/75/64/61/243756461.db2.gz JRJKYQZEWVPLQH-LSDHHAIUSA-N 1 0 310.369 3.416 20 5 DGBDRO C[C@@H](Cc1ccccc1F)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000468003430 244013818 /nfs/dbraw/zinc/01/38/18/244013818.db2.gz IKKMIBYJQPXZQL-ZDUSSCGKSA-N 1 0 302.349 3.497 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)OC(C)(C)C ZINC000468600111 244055782 /nfs/dbraw/zinc/05/57/82/244055782.db2.gz QLYSEDCBESDQIT-RAXLEYEMSA-N 1 0 320.389 3.320 20 5 DGBDRO CCCN(CC)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468748628 244064071 /nfs/dbraw/zinc/06/40/71/244064071.db2.gz UBIOLBOIAPZHDR-NTCAYCPXSA-N 1 0 305.422 3.320 20 5 DGBDRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469810358 244125016 /nfs/dbraw/zinc/12/50/16/244125016.db2.gz WJJMWGZIMGPIMV-STQMWFEESA-N 1 0 319.405 3.480 20 5 DGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000471552968 244219367 /nfs/dbraw/zinc/21/93/67/244219367.db2.gz WTLKYBASBVKDHB-CYBMUJFWSA-N 1 0 323.824 3.416 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOC(F)(F)F ZINC000474031529 244360362 /nfs/dbraw/zinc/36/03/62/244360362.db2.gz IWHSCHKBUJKMOR-JTQLQIEISA-N 1 0 306.284 3.042 20 5 DGBDRO C[C@H]1C[C@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000119285651 284139765 /nfs/dbraw/zinc/13/97/65/284139765.db2.gz KNFOMBBHKXGIJM-NWDGAFQWSA-N 1 0 311.813 3.163 20 5 DGBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000119397605 284142458 /nfs/dbraw/zinc/14/24/58/284142458.db2.gz MKZZXQRTTHJNMW-CQSZACIVSA-N 1 0 314.385 3.406 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000093213990 193217684 /nfs/dbraw/zinc/21/76/84/193217684.db2.gz JWMRNFYNZFJGFM-DTWKUNHWSA-N 1 0 314.183 3.039 20 5 DGBDRO CCCC[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000119968173 284157516 /nfs/dbraw/zinc/15/75/16/284157516.db2.gz UCXRULXBBNJYBY-UHFFFAOYSA-N 1 0 322.409 3.065 20 5 DGBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)C(C)C ZINC000120264604 284164838 /nfs/dbraw/zinc/16/48/38/284164838.db2.gz GHAOTLKZMZYUQQ-CYBMUJFWSA-N 1 0 307.394 3.208 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](C)CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000480446831 244710832 /nfs/dbraw/zinc/71/08/32/244710832.db2.gz QYOVEWWWRJGLDL-CYBMUJFWSA-N 1 0 306.406 3.446 20 5 DGBDRO COCC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487187981 245030413 /nfs/dbraw/zinc/03/04/13/245030413.db2.gz PZPWOQULYHCUMF-UHFFFAOYSA-N 1 0 320.311 3.376 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282545021 217077960 /nfs/dbraw/zinc/07/79/60/217077960.db2.gz RSMLIPUJMPZQHM-GDBMZVCRSA-N 1 0 310.369 3.417 20 5 DGBDRO COc1ccc(C[NH2+]CCSc2ccccc2)cc1[N+](=O)[O-] ZINC000127314098 284334514 /nfs/dbraw/zinc/33/45/14/284334514.db2.gz BCCQKEFNJVGPAE-UHFFFAOYSA-N 1 0 318.398 3.485 20 5 DGBDRO CC[N@@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000266131109 205124914 /nfs/dbraw/zinc/12/49/14/205124914.db2.gz DBKNDJGVXUIIET-IAQYHMDHSA-N 1 0 311.813 3.068 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCSC2)o1 ZINC000266163999 205150900 /nfs/dbraw/zinc/15/09/00/205150900.db2.gz OQPIPEUZMWOSGC-LLVKDONJSA-N 1 0 304.371 3.450 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000282981488 217367659 /nfs/dbraw/zinc/36/76/59/217367659.db2.gz DLULSYYKBMMGAR-OAHLLOKOSA-N 1 0 321.396 3.184 20 5 DGBDRO Cc1c([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000268779165 432131933 /nfs/dbraw/zinc/13/19/33/432131933.db2.gz PFFGSZGFPMNMKF-QRTARXTBSA-N 1 0 303.406 3.181 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000268832550 432144289 /nfs/dbraw/zinc/14/42/89/432144289.db2.gz RGOPJJOEGCWXJI-XJKSGUPXSA-N 1 0 302.378 3.311 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268977038 432149292 /nfs/dbraw/zinc/14/92/92/432149292.db2.gz JSZQEEVPVOAPCZ-PBHICJAKSA-N 1 0 314.385 3.412 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C(CC)CC)cc1[N+](=O)[O-] ZINC000153733945 284688253 /nfs/dbraw/zinc/68/82/53/284688253.db2.gz BZAYYYPZIZPREC-BLLLJJGKSA-N 1 0 324.421 3.441 20 5 DGBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000284850858 218206262 /nfs/dbraw/zinc/20/62/62/218206262.db2.gz ACHPTBJJQMEQCL-VHDGCEQUSA-N 1 0 321.421 3.421 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000106469747 194219631 /nfs/dbraw/zinc/21/96/31/194219631.db2.gz DJKHZMFJUOGMMF-CQSZACIVSA-N 1 0 314.341 3.086 20 5 DGBDRO CCOC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000285182540 218323188 /nfs/dbraw/zinc/32/31/88/218323188.db2.gz BULOCTBQKUOONS-AWEZNQCLSA-N 1 0 302.321 3.024 20 5 DGBDRO CCOC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000285182544 218324009 /nfs/dbraw/zinc/32/40/09/218324009.db2.gz BULOCTBQKUOONS-CQSZACIVSA-N 1 0 302.321 3.024 20 5 DGBDRO CC[C@H]([NH2+]CCCn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000268850118 207018336 /nfs/dbraw/zinc/01/83/36/207018336.db2.gz KDWMLGMPNRMLFQ-INIZCTEOSA-N 1 0 302.378 3.231 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC(C)C)C1CC1 ZINC000063493187 184283695 /nfs/dbraw/zinc/28/36/95/184283695.db2.gz UABOBOVMEIVYES-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO C[N@@H+](CCc1cccc2ccccc21)CCn1cc([N+](=O)[O-])cn1 ZINC000174839990 252681812 /nfs/dbraw/zinc/68/18/12/252681812.db2.gz FJFLHFCCLYZOGC-UHFFFAOYSA-N 1 0 324.384 3.119 20 5 DGBDRO CCOc1cccc(NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000336860469 253010898 /nfs/dbraw/zinc/01/08/98/253010898.db2.gz RFLOMUYWOULZNP-CYBMUJFWSA-N 1 0 307.394 3.137 20 5 DGBDRO CC1(C)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337258538 253072011 /nfs/dbraw/zinc/07/20/11/253072011.db2.gz UYVVHDWELJSEQO-UHFFFAOYSA-N 1 0 319.405 3.436 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337382247 253102232 /nfs/dbraw/zinc/10/22/32/253102232.db2.gz CSBJBHBRIKQAGW-OAHLLOKOSA-N 1 0 308.353 3.173 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337413750 253111232 /nfs/dbraw/zinc/11/12/32/253111232.db2.gz OMOCQHCSYNCWHI-WCQYABFASA-N 1 0 318.295 3.374 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150887410 285095993 /nfs/dbraw/zinc/09/59/93/285095993.db2.gz QMNPNKUOVNTIBP-AWEZNQCLSA-N 1 0 307.369 3.189 20 5 DGBDRO CC1CCC(O)(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000338363567 253273716 /nfs/dbraw/zinc/27/37/16/253273716.db2.gz WKAPTVLARFGTJX-UHFFFAOYSA-N 1 0 306.406 3.010 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NCC[N@H+](C)Cc2ccccc2)c1 ZINC000338653760 253327413 /nfs/dbraw/zinc/32/74/13/253327413.db2.gz CZCSXDASQQHKBF-UHFFFAOYSA-N 1 0 315.373 3.147 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)nc2c1 ZINC000338956834 253378786 /nfs/dbraw/zinc/37/87/86/253378786.db2.gz KSAUEXZCTDUYFK-CHWSQXEVSA-N 1 0 300.362 3.139 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(O)cc(F)c1 ZINC000338956767 253378949 /nfs/dbraw/zinc/37/89/49/253378949.db2.gz VQWCGSCBCDXHBX-UHFFFAOYSA-N 1 0 304.321 3.114 20 5 DGBDRO Cc1ccc2ncc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)n2c1 ZINC000338956869 253379009 /nfs/dbraw/zinc/37/90/09/253379009.db2.gz WAAZNPBAMJKSRA-UHFFFAOYSA-N 1 0 324.384 3.225 20 5 DGBDRO COc1ccccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338956846 253379284 /nfs/dbraw/zinc/37/92/84/253379284.db2.gz BFFJWRRHLLIOPV-UHFFFAOYSA-N 1 0 300.358 3.278 20 5 DGBDRO CC1(C)CCC[C@@]1(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000339463850 253473255 /nfs/dbraw/zinc/47/32/55/253473255.db2.gz DHCDATMWCOGMCP-ZGRWHYIRSA-N 1 0 304.390 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([N@@H+]1CCC[C@]3(CCOC3)C1)CCC2 ZINC000453357969 285144541 /nfs/dbraw/zinc/14/45/41/285144541.db2.gz JNBXEWVHYLWSSG-MSOLQXFVSA-N 1 0 316.401 3.475 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC1 ZINC000271140851 208653053 /nfs/dbraw/zinc/65/30/53/208653053.db2.gz OGXREIXTGYDLJL-STQMWFEESA-N 1 0 310.419 3.092 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)COC1 ZINC000271157897 208670197 /nfs/dbraw/zinc/67/01/97/208670197.db2.gz RLCKERZHQPZHQL-LBPRGKRZSA-N 1 0 310.419 3.092 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000287128179 285155831 /nfs/dbraw/zinc/15/58/31/285155831.db2.gz DBIWZDZMGYGPRA-ZDUSSCGKSA-N 1 0 307.369 3.189 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341990041 285154163 /nfs/dbraw/zinc/15/41/63/285154163.db2.gz LGUNSXMZLMWJDQ-OAHLLOKOSA-N 1 0 310.781 3.251 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000158041332 197239004 /nfs/dbraw/zinc/23/90/04/197239004.db2.gz ARYTWKAZOLBTPS-BLLLJJGKSA-N 1 0 324.421 3.441 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CCO)c1ccccc1 ZINC000344437939 285159888 /nfs/dbraw/zinc/15/98/88/285159888.db2.gz IZZHCRJXVBTTQM-IVEQORNPSA-N 1 0 312.369 3.321 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000179136897 285162029 /nfs/dbraw/zinc/16/20/29/285162029.db2.gz LOHRDBLBSQVGJI-UXLLHSPISA-N 1 0 318.417 3.322 20 5 DGBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000459514183 285165504 /nfs/dbraw/zinc/16/55/04/285165504.db2.gz SEOJAEYMFCLJFD-UHFFFAOYSA-N 1 0 316.405 3.002 20 5 DGBDRO CC[C@@H](C)[NH2+][C@@H](CNc1nc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000343252172 254120593 /nfs/dbraw/zinc/12/05/93/254120593.db2.gz PZEWFOGQRSEETD-YPMHNXCESA-N 1 0 318.377 3.433 20 5 DGBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000343980653 254208697 /nfs/dbraw/zinc/20/86/97/254208697.db2.gz UBZZYKZGXARXJY-CQSZACIVSA-N 1 0 305.378 3.084 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000343888008 254200310 /nfs/dbraw/zinc/20/03/10/254200310.db2.gz UDFUFZWIXGQTKG-ZIAGYGMSSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000343919955 254202860 /nfs/dbraw/zinc/20/28/60/254202860.db2.gz JZYZQYJFGHYMRI-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000343980651 254208880 /nfs/dbraw/zinc/20/88/80/254208880.db2.gz UBZZYKZGXARXJY-AWEZNQCLSA-N 1 0 305.378 3.084 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000344114090 254227273 /nfs/dbraw/zinc/22/72/73/254227273.db2.gz RYLKDHHUVKWHRY-AWEZNQCLSA-N 1 0 317.389 3.045 20 5 DGBDRO CC[C@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344243659 254244749 /nfs/dbraw/zinc/24/47/49/254244749.db2.gz VNJYBQFEEAPNRJ-QGZVFWFLSA-N 1 0 319.405 3.354 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000344375660 254263761 /nfs/dbraw/zinc/26/37/61/254263761.db2.gz GDCVDPCLLHBAHG-KRWDZBQOSA-N 1 0 316.357 3.371 20 5 DGBDRO COc1cc(C[NH2+]CCCC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000344549096 254282255 /nfs/dbraw/zinc/28/22/55/254282255.db2.gz ONZVIUQHQYCTSR-UHFFFAOYSA-N 1 0 322.283 3.044 20 5 DGBDRO C[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000255954917 285189168 /nfs/dbraw/zinc/18/91/68/285189168.db2.gz GAZSHKOOVTZNNS-WWGRRREGSA-N 1 0 319.405 3.338 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc2c(c1)COC2 ZINC000344960469 254319172 /nfs/dbraw/zinc/31/91/72/254319172.db2.gz DEDYAAYEHBWCAH-HYXAFXHYSA-N 1 0 310.353 3.428 20 5 DGBDRO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154961339 197007672 /nfs/dbraw/zinc/00/76/72/197007672.db2.gz BVNJNUBNDNGYEN-SWLSCSKDSA-N 1 0 303.362 3.141 20 5 DGBDRO CCOC1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000292963020 285256207 /nfs/dbraw/zinc/25/62/07/285256207.db2.gz LNPQBOGKZGUYDF-UHFFFAOYSA-N 1 0 308.378 3.042 20 5 DGBDRO CCC[C@@H]([NH2+]CCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000120491115 195177742 /nfs/dbraw/zinc/17/77/42/195177742.db2.gz PZNXGFLHEIHKTD-MRXNPFEDSA-N 1 0 302.378 3.312 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000305770144 285301778 /nfs/dbraw/zinc/30/17/78/285301778.db2.gz NTPWQNIUBSMYTK-DEYYWGMASA-N 1 0 314.385 3.238 20 5 DGBDRO CC(C)[C@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289524908 221040518 /nfs/dbraw/zinc/04/05/18/221040518.db2.gz MVDGVQGNERSFIN-LBPRGKRZSA-N 1 0 321.204 3.398 20 5 DGBDRO CC(C)[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289524904 221040461 /nfs/dbraw/zinc/04/04/61/221040461.db2.gz MVDGVQGNERSFIN-GFCCVEGCSA-N 1 0 321.204 3.398 20 5 DGBDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000307967943 285303948 /nfs/dbraw/zinc/30/39/48/285303948.db2.gz UQPQSJAEGFQDEU-NSHDSACASA-N 1 0 302.378 3.279 20 5 DGBDRO CCc1ccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc1[N+](=O)[O-] ZINC000339393754 285318245 /nfs/dbraw/zinc/31/82/45/285318245.db2.gz GUGPEWALAFVJTO-LBPRGKRZSA-N 1 0 304.350 3.253 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C)CC[C@H]1C ZINC000470176768 533382390 /nfs/dbraw/zinc/38/23/90/533382390.db2.gz YZJOZOHNRSRYEP-QKXCFHHRSA-N 1 0 303.406 3.024 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C)CC[C@@H]1C ZINC000470176767 533406444 /nfs/dbraw/zinc/40/64/44/533406444.db2.gz YZJOZOHNRSRYEP-GOFCXVBSSA-N 1 0 303.406 3.024 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CC2CC2)CC1 ZINC000470181855 533406949 /nfs/dbraw/zinc/40/69/49/533406949.db2.gz BPPJWWOZQIDZDV-RVDMUPIBSA-N 1 0 315.417 3.026 20 5 DGBDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000295092484 533546040 /nfs/dbraw/zinc/54/60/40/533546040.db2.gz RTXDQOZATKPKFW-ZDUSSCGKSA-N 1 0 318.373 3.496 20 5 DGBDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000294849946 533559781 /nfs/dbraw/zinc/55/97/81/533559781.db2.gz RYVSGFWTEAOFPM-ZDUSSCGKSA-N 1 0 318.373 3.353 20 5 DGBDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000294687865 533560035 /nfs/dbraw/zinc/56/00/35/533560035.db2.gz CBUGPIUWIFZCHN-ZDUSSCGKSA-N 1 0 318.373 3.353 20 5 DGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000413256970 533565656 /nfs/dbraw/zinc/56/56/56/533565656.db2.gz AFDSXTKKCJOQIL-IAQYHMDHSA-N 1 0 318.352 3.232 20 5 DGBDRO C[C@@H](CCNc1ncc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000302123459 533613715 /nfs/dbraw/zinc/61/37/15/533613715.db2.gz FBYGFCHJYCAEAB-NSHDSACASA-N 1 0 312.801 3.320 20 5 DGBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc2ncccc21 ZINC000066405012 400086613 /nfs/dbraw/zinc/08/66/13/400086613.db2.gz FSKWDAOUHOUXAX-GOEBONIOSA-N 1 0 312.373 3.182 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H](O)C(C)C ZINC000595043894 400087285 /nfs/dbraw/zinc/08/72/85/400087285.db2.gz BHRBETNWCZGZQS-HZUKXOBISA-N 1 0 310.394 3.050 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000595046828 400088321 /nfs/dbraw/zinc/08/83/21/400088321.db2.gz BMBUZSJFPSPLTQ-NWDGAFQWSA-N 1 0 310.419 3.397 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000595046827 400088481 /nfs/dbraw/zinc/08/84/81/400088481.db2.gz BMBUZSJFPSPLTQ-NEPJUHHUSA-N 1 0 310.419 3.397 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595047547 400088510 /nfs/dbraw/zinc/08/85/10/400088510.db2.gz TUCNUHAEGFHAFX-AVGNSLFASA-N 1 0 310.394 3.051 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056532 400092427 /nfs/dbraw/zinc/09/24/27/400092427.db2.gz LFNGNFFVUVDADB-UONOGXRCSA-N 1 0 305.422 3.427 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC000595065793 400096605 /nfs/dbraw/zinc/09/66/05/400096605.db2.gz VHNXCHFOCZHGIE-JMALDWJISA-N 1 0 324.446 3.244 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595079508 400100685 /nfs/dbraw/zinc/10/06/85/400100685.db2.gz DYMAHKLWUOHKBD-XHDPSFHLSA-N 1 0 305.378 3.090 20 5 DGBDRO O=c1cc(C[N@H+]2CCC[C@@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000007449619 400104524 /nfs/dbraw/zinc/10/45/24/400104524.db2.gz KZPYIIHVOGIAQW-CQSZACIVSA-N 1 0 323.392 3.151 20 5 DGBDRO CC[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000584834338 400112194 /nfs/dbraw/zinc/11/21/94/400112194.db2.gz JYQHGJZPQJXIEJ-ZIAGYGMSSA-N 1 0 319.405 3.482 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1nccc(C)c1[N+](=O)[O-])CC(C)C ZINC000303735993 400112385 /nfs/dbraw/zinc/11/23/85/400112385.db2.gz WQHHIXRQOVVNDF-CQSZACIVSA-N 1 0 308.426 3.467 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000285027339 400079250 /nfs/dbraw/zinc/07/92/50/400079250.db2.gz ZWSHDBADIJOPCY-DLBZAZTESA-N 1 0 320.389 3.007 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000595025712 400080455 /nfs/dbraw/zinc/08/04/55/400080455.db2.gz LPWDRNVOKQLIBK-SZYCXQDTSA-N 1 0 320.389 3.068 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000595031967 400082715 /nfs/dbraw/zinc/08/27/15/400082715.db2.gz KEDIONUTCHZSDM-NORZTCDRSA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000595031844 400083109 /nfs/dbraw/zinc/08/31/09/400083109.db2.gz GRSJLIQNJVRSEX-FRRDWIJNSA-N 1 0 308.378 3.069 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506971 400171971 /nfs/dbraw/zinc/17/19/71/400171971.db2.gz JIMDOWBTNZOGTE-WMLDXEAASA-N 1 0 303.406 3.074 20 5 DGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595511695 400173395 /nfs/dbraw/zinc/17/33/95/400173395.db2.gz KACLJFUAHGPKHC-LSDHHAIUSA-N 1 0 310.369 3.416 20 5 DGBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])s2)C[C@H]1Cc1ccccc1 ZINC000588053397 400184286 /nfs/dbraw/zinc/18/42/86/400184286.db2.gz FHAIUCHJEPDIBO-CQSZACIVSA-N 1 0 317.414 3.019 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2C)c1[N+](=O)[O-] ZINC000595316340 400124863 /nfs/dbraw/zinc/12/48/63/400124863.db2.gz AXLBTBZNWVMCTN-OAHLLOKOSA-N 1 0 315.373 3.407 20 5 DGBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000609671494 400185834 /nfs/dbraw/zinc/18/58/34/400185834.db2.gz XEQMVVDKJPIXPN-YOEHRIQHSA-N 1 0 321.421 3.144 20 5 DGBDRO Cc1c(C[N@@H+]2CCc3ccc(O)cc3CC2)cccc1[N+](=O)[O-] ZINC000608866719 400129572 /nfs/dbraw/zinc/12/95/72/400129572.db2.gz XGROUQFDDARWOO-UHFFFAOYSA-N 1 0 312.369 3.210 20 5 DGBDRO C[C@](CO)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000595334790 400131225 /nfs/dbraw/zinc/13/12/25/400131225.db2.gz VXZBOVAPBQYRKY-MRXNPFEDSA-N 1 0 310.369 3.155 20 5 DGBDRO Cc1noc(C[N@@H+]2CCc3ccccc3[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595564724 400189357 /nfs/dbraw/zinc/18/93/57/400189357.db2.gz VDAZMIBKGTUIMZ-NSHDSACASA-N 1 0 301.346 3.053 20 5 DGBDRO COC(=O)CC1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000595378969 400136885 /nfs/dbraw/zinc/13/68/85/400136885.db2.gz BZVQVYOEJLCHPH-UHFFFAOYSA-N 1 0 324.352 3.090 20 5 DGBDRO Cc1noc(C[NH+]2CCC(C)(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595399384 400140484 /nfs/dbraw/zinc/14/04/84/400140484.db2.gz ZWMICBPRVAPZLT-UHFFFAOYSA-N 1 0 315.373 3.445 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000314856684 400141693 /nfs/dbraw/zinc/14/16/93/400141693.db2.gz VEOADXASTMAAIF-SECBINFHSA-N 1 0 315.295 3.262 20 5 DGBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000609671490 400186528 /nfs/dbraw/zinc/18/65/28/400186528.db2.gz XEQMVVDKJPIXPN-PBHICJAKSA-N 1 0 321.421 3.144 20 5 DGBDRO COCC[C@@H]1CCCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595442470 400152079 /nfs/dbraw/zinc/15/20/79/400152079.db2.gz SARFYBIIPZNXGY-ZDUSSCGKSA-N 1 0 310.369 3.373 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000595458578 400157569 /nfs/dbraw/zinc/15/75/69/400157569.db2.gz KHZSBVLJRJICCZ-INIZCTEOSA-N 1 0 308.353 3.125 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000595475189 400163073 /nfs/dbraw/zinc/16/30/73/400163073.db2.gz JIGGXLXALFAMIF-UHFFFAOYSA-N 1 0 308.353 3.127 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)C ZINC000609450490 400168222 /nfs/dbraw/zinc/16/82/22/400168222.db2.gz HWXKTDYSJCGMDU-GJZGRUSLSA-N 1 0 319.405 3.114 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000609466523 400169423 /nfs/dbraw/zinc/16/94/23/400169423.db2.gz ACKUAEADQGXGQP-UHFFFAOYSA-N 1 0 311.341 3.245 20 5 DGBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595505031 400169992 /nfs/dbraw/zinc/16/99/92/400169992.db2.gz POIFHCNBWQNPPO-INIZCTEOSA-N 1 0 323.824 3.166 20 5 DGBDRO C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000610420555 400256307 /nfs/dbraw/zinc/25/63/07/400256307.db2.gz QZMNURMLIRRBJB-ZQIUZPCESA-N 1 0 314.385 3.410 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000595709759 400238758 /nfs/dbraw/zinc/23/87/58/400238758.db2.gz ZVIXTQFTMCEVFS-YVEFUNNKSA-N 1 0 312.369 3.421 20 5 DGBDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000588928092 400247204 /nfs/dbraw/zinc/24/72/04/400247204.db2.gz GNRICVZVFDOMOE-AWEZNQCLSA-N 1 0 318.373 3.209 20 5 DGBDRO CCC1(CC)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595751579 400249960 /nfs/dbraw/zinc/24/99/60/400249960.db2.gz FKFJFKRZNMJUOF-UHFFFAOYSA-N 1 0 319.405 3.096 20 5 DGBDRO Cc1cc(N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000092657754 400190544 /nfs/dbraw/zinc/19/05/44/400190544.db2.gz HRMTVUMTANDWEH-OAHLLOKOSA-N 1 0 303.406 3.215 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595568445 400190572 /nfs/dbraw/zinc/19/05/72/400190572.db2.gz VKKMZQZYDCKGPS-BBRMVZONSA-N 1 0 317.389 3.106 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000595566887 400190833 /nfs/dbraw/zinc/19/08/33/400190833.db2.gz OODWTLHVPPTYHK-BBRMVZONSA-N 1 0 317.389 3.106 20 5 DGBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000609840002 400195831 /nfs/dbraw/zinc/19/58/31/400195831.db2.gz XHYQPOPNRDPTNY-CQSZACIVSA-N 1 0 305.378 3.084 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000067711432 400196874 /nfs/dbraw/zinc/19/68/74/400196874.db2.gz WBSSZDKKCUWAGF-JTQLQIEISA-N 1 0 315.295 3.262 20 5 DGBDRO COc1cc(NC[C@@H](C2CC2)[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596116205 400321821 /nfs/dbraw/zinc/32/18/21/400321821.db2.gz ZVPIETKKIQJMNE-ZDUSSCGKSA-N 1 0 313.785 3.009 20 5 DGBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000595820804 400269445 /nfs/dbraw/zinc/26/94/45/400269445.db2.gz WRNFFJNOJQOPGX-HSBZDZAISA-N 1 0 310.369 3.480 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(CC(C)C)CC1 ZINC000595831357 400274509 /nfs/dbraw/zinc/27/45/09/400274509.db2.gz MVGMTVSYIPSFPS-UHFFFAOYSA-N 1 0 319.405 3.400 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595857997 400281982 /nfs/dbraw/zinc/28/19/82/400281982.db2.gz PYFNNZHWXSVYGI-AHBJDQSVSA-N 1 0 317.389 3.185 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601301310 400286285 /nfs/dbraw/zinc/28/62/85/400286285.db2.gz YAQSBEURZHGGIW-JIMOISOXSA-N 1 0 320.311 3.337 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000610665219 400287016 /nfs/dbraw/zinc/28/70/16/400287016.db2.gz MFVMXOWZBCBSLI-MRXNPFEDSA-N 1 0 314.389 3.109 20 5 DGBDRO Cc1cc(N[C@@H](C)C[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589584741 400306382 /nfs/dbraw/zinc/30/63/82/400306382.db2.gz OECQLCLGVOYLOM-WCQYABFASA-N 1 0 315.373 3.100 20 5 DGBDRO CC(C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000596070510 400308445 /nfs/dbraw/zinc/30/84/45/400308445.db2.gz QLGGIMKHAKNBDR-AWEZNQCLSA-N 1 0 322.409 3.008 20 5 DGBDRO CC(C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000596070511 400308716 /nfs/dbraw/zinc/30/87/16/400308716.db2.gz QLGGIMKHAKNBDR-CQSZACIVSA-N 1 0 322.409 3.008 20 5 DGBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000029873765 400317844 /nfs/dbraw/zinc/31/78/44/400317844.db2.gz BYSLTSUCAKVIGL-OAHLLOKOSA-N 1 0 322.365 3.035 20 5 DGBDRO CC[C@H](CSC)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000611350700 400383509 /nfs/dbraw/zinc/38/35/09/400383509.db2.gz QUEGQIDPTIXTOW-CYBMUJFWSA-N 1 0 312.435 3.437 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596337139 400384451 /nfs/dbraw/zinc/38/44/51/400384451.db2.gz UUGHCQDUWLPZIY-CYBMUJFWSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1sccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000610946711 400327169 /nfs/dbraw/zinc/32/71/69/400327169.db2.gz SRRZORVQWDNRSP-AAEUAGOBSA-N 1 0 307.419 3.109 20 5 DGBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])s1 ZINC000596144356 400329353 /nfs/dbraw/zinc/32/93/53/400329353.db2.gz DWTVMRCVKWMHPV-OLZOCXBDSA-N 1 0 309.435 3.416 20 5 DGBDRO O=[N+]([O-])c1ncccc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000611030837 400339094 /nfs/dbraw/zinc/33/90/94/400339094.db2.gz QZMANVKKQYPXSU-UHFFFAOYSA-N 1 0 318.421 3.082 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CC(Cc2ccc(F)cc2)C1 ZINC000611173068 400353932 /nfs/dbraw/zinc/35/39/32/400353932.db2.gz SGRFRIPQEGIGFQ-UHFFFAOYSA-N 1 0 300.333 3.408 20 5 DGBDRO CC[N@@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268128 400367139 /nfs/dbraw/zinc/36/71/39/400367139.db2.gz DWOLXOZKLBGUNW-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]3CCC[C@@H]31)OCCO2 ZINC000611265442 400367682 /nfs/dbraw/zinc/36/76/82/400367682.db2.gz OOWUYECVGBKSLV-OCCSQVGLSA-N 1 0 318.373 3.131 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cccc(O)c1Cl ZINC000590184413 400367724 /nfs/dbraw/zinc/36/77/24/400367724.db2.gz KQGBNZKOAIFSHI-UHFFFAOYSA-N 1 0 306.749 3.286 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000590211008 400370465 /nfs/dbraw/zinc/37/04/65/400370465.db2.gz QKQHXAJSLFOKHF-KRWDZBQOSA-N 1 0 322.405 3.111 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)nc2C)cc1[N+](=O)[O-] ZINC000611299736 400375652 /nfs/dbraw/zinc/37/56/52/400375652.db2.gz ITHDIFJDNKJZGR-GFCCVEGCSA-N 1 0 315.373 3.466 20 5 DGBDRO CC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596308353 400375727 /nfs/dbraw/zinc/37/57/27/400375727.db2.gz RFFYRGKVDGCZGB-ZDUSSCGKSA-N 1 0 305.378 3.082 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CCOC2)CC1 ZINC000611516815 400413502 /nfs/dbraw/zinc/41/35/02/400413502.db2.gz LFVLRNLHLIFMKK-CQSZACIVSA-N 1 0 304.390 3.467 20 5 DGBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000590569238 400397060 /nfs/dbraw/zinc/39/70/60/400397060.db2.gz PAIFXPDWIUMGES-GXSJLCMTSA-N 1 0 317.311 3.142 20 5 DGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072698160 400398489 /nfs/dbraw/zinc/39/84/89/400398489.db2.gz HIALTNODXMIOSE-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072698158 400398750 /nfs/dbraw/zinc/39/87/50/400398750.db2.gz HIALTNODXMIOSE-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C(C)C)C(C)C ZINC000611434116 400400900 /nfs/dbraw/zinc/40/09/00/400400900.db2.gz OLSNAOREORJKDD-UHFFFAOYSA-N 1 0 307.394 3.112 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000611464384 400405880 /nfs/dbraw/zinc/40/58/80/400405880.db2.gz JJOIJTLACMIYGI-LLVKDONJSA-N 1 0 300.305 3.271 20 5 DGBDRO CC[C@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000590646543 400408682 /nfs/dbraw/zinc/40/86/82/400408682.db2.gz MGLDHTAWAMFCNY-WBVHZDCISA-N 1 0 306.406 3.465 20 5 DGBDRO CC[C@H](COC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120222410 400443983 /nfs/dbraw/zinc/44/39/83/400443983.db2.gz JLBSUISXWQWEPG-CYBMUJFWSA-N 1 0 304.346 3.369 20 5 DGBDRO COc1cccc(NCC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000596563154 400445121 /nfs/dbraw/zinc/44/51/21/400445121.db2.gz QRZWFKFCBATXFI-UHFFFAOYSA-N 1 0 319.405 3.137 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000611697128 400438279 /nfs/dbraw/zinc/43/82/79/400438279.db2.gz HRBNRMVVLFZERI-MRXNPFEDSA-N 1 0 302.378 3.087 20 5 DGBDRO CN(C)[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000602584820 400505055 /nfs/dbraw/zinc/50/50/55/400505055.db2.gz AXZLVWONPGTKGA-GOSISDBHSA-N 1 0 313.401 3.030 20 5 DGBDRO CN(C)[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000602584822 400505214 /nfs/dbraw/zinc/50/52/14/400505214.db2.gz AXZLVWONPGTKGA-SFHVURJKSA-N 1 0 313.401 3.030 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3CCCC[NH2+]3)o2)c1 ZINC000591275596 400505705 /nfs/dbraw/zinc/50/57/05/400505705.db2.gz IGDOIGNETZRFRG-AWEZNQCLSA-N 1 0 315.373 3.087 20 5 DGBDRO CO[C@@](C)(C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000602599193 400508322 /nfs/dbraw/zinc/50/83/22/400508322.db2.gz GMPTYQPIEPHVOM-HNNXBMFYSA-N 1 0 312.797 3.195 20 5 DGBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602610353 400511072 /nfs/dbraw/zinc/51/10/72/400511072.db2.gz TWIVCLJGQGEWLJ-RYUDHWBXSA-N 1 0 319.361 3.031 20 5 DGBDRO COC[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602467961 400469957 /nfs/dbraw/zinc/46/99/57/400469957.db2.gz MFQOTBDQNROBBZ-JTQLQIEISA-N 1 0 318.295 3.082 20 5 DGBDRO CO[C@@](C)([C@@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591048123 400479570 /nfs/dbraw/zinc/47/95/70/400479570.db2.gz AOJVFUVBTYDMOJ-DYVFJYSZSA-N 1 0 322.405 3.157 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591061958 400481116 /nfs/dbraw/zinc/48/11/16/400481116.db2.gz PNPAEDPKKVXMBS-JSGCOSHPSA-N 1 0 317.389 3.044 20 5 DGBDRO COc1ccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000602534166 400490507 /nfs/dbraw/zinc/49/05/07/400490507.db2.gz GJPVPRFXAGDRHF-UHFFFAOYSA-N 1 0 318.348 3.117 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[N@H+](CC4CC4)C3)c2c1 ZINC000591146213 400493256 /nfs/dbraw/zinc/49/32/56/400493256.db2.gz JTWOXDOHEXBWEP-AWEZNQCLSA-N 1 0 312.373 3.039 20 5 DGBDRO COc1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)sn1 ZINC000602559980 400496025 /nfs/dbraw/zinc/49/60/25/400496025.db2.gz LVOUDPVWTDJYKO-UHFFFAOYSA-N 1 0 321.402 3.172 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]CCC2CCOCC2)cc1 ZINC000602563342 400497414 /nfs/dbraw/zinc/49/74/14/400497414.db2.gz YXRJHRBOABLNEC-UHFFFAOYSA-N 1 0 306.406 3.324 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000612133032 400498471 /nfs/dbraw/zinc/49/84/71/400498471.db2.gz UDAGTNFPHCWETN-UKRRQHHQSA-N 1 0 304.390 3.404 20 5 DGBDRO C[N@H+](CCCOc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000046598938 400570884 /nfs/dbraw/zinc/57/08/84/400570884.db2.gz LRQQXAUWLCXXTL-UHFFFAOYSA-N 1 0 300.358 3.496 20 5 DGBDRO CC[C@H]1c2ccccc2CC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602788103 400574305 /nfs/dbraw/zinc/57/43/05/400574305.db2.gz ROYQOYNQOBPXQQ-INIZCTEOSA-N 1 0 314.389 3.109 20 5 DGBDRO C[N@H+](CCCCCO)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602638392 400520033 /nfs/dbraw/zinc/52/00/33/400520033.db2.gz BVFPEPYJBRYJOR-UHFFFAOYSA-N 1 0 320.311 3.208 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCCC3(F)F)nc2c1 ZINC000602685144 400537816 /nfs/dbraw/zinc/53/78/16/400537816.db2.gz LYHQJBRWWFTNOH-VIFPVBQESA-N 1 0 311.288 3.261 20 5 DGBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602692543 400540956 /nfs/dbraw/zinc/54/09/56/400540956.db2.gz XUUBGWCWBIRWKH-QFYYESIMSA-N 1 0 319.361 3.029 20 5 DGBDRO CO[C@](C)([C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602692537 400540966 /nfs/dbraw/zinc/54/09/66/400540966.db2.gz XUUBGWCWBIRWKH-MGPLVRAMSA-N 1 0 319.361 3.029 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000618197873 400547125 /nfs/dbraw/zinc/54/71/25/400547125.db2.gz OLIQLIXXKLUURD-IVZVJUQRSA-N 1 0 324.380 3.461 20 5 DGBDRO COc1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000046055786 400547410 /nfs/dbraw/zinc/54/74/10/400547410.db2.gz HWBNQSNCLOSTIN-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO CSCC1(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602712035 400547989 /nfs/dbraw/zinc/54/79/89/400547989.db2.gz WYXDLANSEUDZIY-UHFFFAOYSA-N 1 0 321.402 3.359 20 5 DGBDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000591668411 400549090 /nfs/dbraw/zinc/54/90/90/400549090.db2.gz MMDKKLUCHFZCFS-LBPRGKRZSA-N 1 0 323.824 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597060967 400550600 /nfs/dbraw/zinc/55/06/00/400550600.db2.gz XXZVXMBPLYPMJU-RDJZCZTQSA-N 1 0 304.390 3.075 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C(C)C ZINC000140511129 400619309 /nfs/dbraw/zinc/61/93/09/400619309.db2.gz NYLGEKAJIAWJOZ-INIZCTEOSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1c(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000602997823 400623858 /nfs/dbraw/zinc/62/38/58/400623858.db2.gz ROTSBYGXVJPFFQ-PVAVHDDUSA-N 1 0 304.390 3.029 20 5 DGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC000141370658 400624785 /nfs/dbraw/zinc/62/47/85/400624785.db2.gz NOTDGCRPLKMNSR-UHFFFAOYSA-N 1 0 312.369 3.073 20 5 DGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357209 400637539 /nfs/dbraw/zinc/63/75/39/400637539.db2.gz UWMOXTFIHZBWLC-JSGCOSHPSA-N 1 0 316.361 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc2sc(-c3nc([C@H]4CCC[NH2+]4)no3)cc2c1 ZINC000592357956 400637570 /nfs/dbraw/zinc/63/75/70/400637570.db2.gz XSIRIMKPVNZDSA-SNVBAGLBSA-N 1 0 316.342 3.284 20 5 DGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357174 400637725 /nfs/dbraw/zinc/63/77/25/400637725.db2.gz SHJLMFHKENAECA-CABZTGNLSA-N 1 0 320.374 3.256 20 5 DGBDRO C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602839652 400587866 /nfs/dbraw/zinc/58/78/66/400587866.db2.gz IAYBFKWHQWFAIL-CWRNSKLLSA-N 1 0 304.390 3.199 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000592392892 400643869 /nfs/dbraw/zinc/64/38/69/400643869.db2.gz DFSGZSRASQYDRH-ZDUSSCGKSA-N 1 0 300.358 3.246 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1 ZINC000075758104 400609940 /nfs/dbraw/zinc/60/99/40/400609940.db2.gz XULVJVJDSUXEKE-UHFFFAOYSA-N 1 0 322.368 3.129 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(F)c1 ZINC000592134935 400611816 /nfs/dbraw/zinc/61/18/16/400611816.db2.gz VDDVGVWXTSEKDP-CZUORRHYSA-N 1 0 308.353 3.125 20 5 DGBDRO CC1([NH3+])CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000592431554 400649237 /nfs/dbraw/zinc/64/92/37/400649237.db2.gz HFGWIDSZPSGKRI-UHFFFAOYSA-N 1 0 315.373 3.168 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592397506 400645734 /nfs/dbraw/zinc/64/57/34/400645734.db2.gz MNFLKVAGHNHYJY-JQFCIGGWSA-N 1 0 320.433 3.303 20 5 DGBDRO CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592521244 400662490 /nfs/dbraw/zinc/66/24/90/400662490.db2.gz YEZSRMNEVTUWJN-BVBGJJFLSA-N 1 0 303.406 3.024 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCCCC1 ZINC000151881308 400676368 /nfs/dbraw/zinc/67/63/68/400676368.db2.gz HBFQPDGXSWPKGT-HOTGVXAUSA-N 1 0 319.449 3.380 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000603837377 400720747 /nfs/dbraw/zinc/72/07/47/400720747.db2.gz MCBPEIPLEXEQFH-AWEZNQCLSA-N 1 0 316.361 3.222 20 5 DGBDRO Cc1cc(N2CC[NH+](CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000603942648 400735518 /nfs/dbraw/zinc/73/55/18/400735518.db2.gz AAKOOPHDFPTWPW-UHFFFAOYSA-N 1 0 305.422 3.461 20 5 DGBDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618987899 400740215 /nfs/dbraw/zinc/74/02/15/400740215.db2.gz BWIPRZZIFDEWKA-RRFJBIMHSA-N 1 0 304.390 3.066 20 5 DGBDRO Cc1cn2c(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)c(C)nc2s1 ZINC000077220993 400698093 /nfs/dbraw/zinc/69/80/93/400698093.db2.gz CZXDWZZFTKHZKQ-UHFFFAOYSA-N 1 0 316.386 3.211 20 5 DGBDRO Cc1cnc(NC[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000078624817 400815407 /nfs/dbraw/zinc/81/54/07/400815407.db2.gz WUFHXLDULOTAQK-OAHLLOKOSA-N 1 0 300.362 3.013 20 5 DGBDRO CC1CCC([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000053836958 400799359 /nfs/dbraw/zinc/79/93/59/400799359.db2.gz NQIUINPTULJCGX-UHFFFAOYSA-N 1 0 319.405 3.068 20 5 DGBDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593620926 400882200 /nfs/dbraw/zinc/88/22/00/400882200.db2.gz LKGZCOZTMSFMHP-LLVKDONJSA-N 1 0 320.393 3.012 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+](CC1CC1)C1CCC1)OCCO2 ZINC000619434458 400847954 /nfs/dbraw/zinc/84/79/54/400847954.db2.gz AEUOEPCJHDASIT-UHFFFAOYSA-N 1 0 318.373 3.131 20 5 DGBDRO Cc1nccnc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000598676138 400855596 /nfs/dbraw/zinc/85/55/96/400855596.db2.gz NSXSFCRIZAGYNA-OAHLLOKOSA-N 1 0 312.373 3.073 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000599056626 400941149 /nfs/dbraw/zinc/94/11/49/400941149.db2.gz KUKBYSQPRLUFBZ-UONOGXRCSA-N 1 0 322.405 3.461 20 5 DGBDRO CC(C)CC[C@@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599067546 400949078 /nfs/dbraw/zinc/94/90/78/400949078.db2.gz FPKYCPBRMILVIS-WMLDXEAASA-N 1 0 306.406 3.359 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599073391 400950883 /nfs/dbraw/zinc/95/08/83/400950883.db2.gz BZWQLKSQTVPTPH-VZTWBHMWSA-N 1 0 308.378 3.066 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599073388 400950892 /nfs/dbraw/zinc/95/08/92/400950892.db2.gz BZWQLKSQTVPTPH-RPHNGCRZSA-N 1 0 308.378 3.066 20 5 DGBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619783587 400905721 /nfs/dbraw/zinc/90/57/21/400905721.db2.gz SIUQTHIKXZJVME-LLVKDONJSA-N 1 0 322.386 3.395 20 5 DGBDRO Cc1cccn2cc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)nc12 ZINC000619785412 400907099 /nfs/dbraw/zinc/90/70/99/400907099.db2.gz LCGFUVCLZDJLEN-UHFFFAOYSA-N 1 0 324.384 3.225 20 5 DGBDRO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965665 400914757 /nfs/dbraw/zinc/91/47/57/400914757.db2.gz OIMKDHOYCBBUOU-DZGCQCFKSA-N 1 0 305.422 3.427 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1[N+](=O)[O-] ZINC000598989523 400922371 /nfs/dbraw/zinc/92/23/71/400922371.db2.gz KQKQNSARPRCDNM-KRWDZBQOSA-N 1 0 312.369 3.134 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599006279 400926457 /nfs/dbraw/zinc/92/64/57/400926457.db2.gz FXAAWERGIUXWMK-YOEHRIQHSA-N 1 0 304.390 3.375 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599164735 400982740 /nfs/dbraw/zinc/98/27/40/400982740.db2.gz LGLRFNFFZQBITR-GFCCVEGCSA-N 1 0 310.785 3.072 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000599090614 400956934 /nfs/dbraw/zinc/95/69/34/400956934.db2.gz ANGIDFVNLAFVMD-MIGQKNRLSA-N 1 0 304.390 3.073 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCC23CC3)n1 ZINC000599091263 400957217 /nfs/dbraw/zinc/95/72/17/400957217.db2.gz IYVUDNJULYNLHF-SOUVJXGZSA-N 1 0 318.421 3.445 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000080611270 400969162 /nfs/dbraw/zinc/96/91/62/400969162.db2.gz ULUFCTKRVYNTSM-NSHDSACASA-N 1 0 317.311 3.144 20 5 DGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000057156491 400976487 /nfs/dbraw/zinc/97/64/87/400976487.db2.gz LCOJMJJWNCGNRK-AWEZNQCLSA-N 1 0 321.421 3.144 20 5 DGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000057156955 400976806 /nfs/dbraw/zinc/97/68/06/400976806.db2.gz IFVBUMVWTCIXKQ-AWEZNQCLSA-N 1 0 321.421 3.144 20 5 DGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000057156501 400977076 /nfs/dbraw/zinc/97/70/76/400977076.db2.gz DVZLXFGADDLPFK-ZDUSSCGKSA-N 1 0 321.421 3.144 20 5 DGBDRO COC(=O)CCCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599433872 401049591 /nfs/dbraw/zinc/04/95/91/401049591.db2.gz LWXDZEPWLQQJLB-OAHLLOKOSA-N 1 0 320.389 3.118 20 5 DGBDRO C[C@H]1C[NH+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC000599511895 401062768 /nfs/dbraw/zinc/06/27/68/401062768.db2.gz CUWFGPNEOZDZJJ-RYUDHWBXSA-N 1 0 314.332 3.197 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000594501245 401082786 /nfs/dbraw/zinc/08/27/86/401082786.db2.gz XLGJLCYDSYCAFD-INIZCTEOSA-N 1 0 314.389 3.239 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000060089773 401100637 /nfs/dbraw/zinc/10/06/37/401100637.db2.gz CSEFMCIDGWWMLK-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000060089764 401100673 /nfs/dbraw/zinc/10/06/73/401100673.db2.gz URVYIHFIYWAOAU-CQSZACIVSA-N 1 0 319.405 3.496 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC3(CC3)CC2)c2c(c1)COCO2 ZINC000599672507 401108553 /nfs/dbraw/zinc/10/85/53/401108553.db2.gz IBBBWYSJHIDOIW-UHFFFAOYSA-N 1 0 318.373 3.227 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000271154969 401137087 /nfs/dbraw/zinc/13/70/87/401137087.db2.gz RAHYFDOTGZLCEJ-JLNYLFASSA-N 1 0 322.430 3.375 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000059394158 401092957 /nfs/dbraw/zinc/09/29/57/401092957.db2.gz JWIDZEFXDGMJID-INIZCTEOSA-N 1 0 303.337 3.449 20 5 DGBDRO C[C@H]1CC(F)(F)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000599624783 401093455 /nfs/dbraw/zinc/09/34/55/401093455.db2.gz YNVMSPLOZMVYRK-NSHDSACASA-N 1 0 300.305 3.093 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594518582 401095466 /nfs/dbraw/zinc/09/54/66/401095466.db2.gz IEWLWTTXXBDXMP-JKSUJKDBSA-N 1 0 323.824 3.355 20 5 DGBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)[NH3+] ZINC000594736796 401165760 /nfs/dbraw/zinc/16/57/60/401165760.db2.gz VJTURCOWBBCCNM-UHFFFAOYSA-N 1 0 303.362 3.024 20 5 DGBDRO CC[C@@H](c1ccccc1)[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000358265999 286015748 /nfs/dbraw/zinc/01/57/48/286015748.db2.gz OURBLOYERARSSK-HNNXBMFYSA-N 1 0 302.378 3.265 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000064020638 401226504 /nfs/dbraw/zinc/22/65/04/401226504.db2.gz WGLVZZIMIOYPMQ-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C(C)C ZINC000063618819 401204773 /nfs/dbraw/zinc/20/47/73/401204773.db2.gz NYLGEKAJIAWJOZ-MRXNPFEDSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C)CC2)cccc1[N+](=O)[O-] ZINC000063302742 401188286 /nfs/dbraw/zinc/18/82/86/401188286.db2.gz RJXPHHVLGGLPTE-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)n1cc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000089581021 401226668 /nfs/dbraw/zinc/22/66/68/401226668.db2.gz YVGDDIZHEFJSNT-ZDUSSCGKSA-N 1 0 318.377 3.102 20 5 DGBDRO CC[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC)[NH+]1CCCC1 ZINC000595006671 401226937 /nfs/dbraw/zinc/22/69/37/401226937.db2.gz HYRVKTOHNQNGPR-ZIAGYGMSSA-N 1 0 321.421 3.128 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOCCC(C)C ZINC000595016125 401232792 /nfs/dbraw/zinc/23/27/92/401232792.db2.gz QNUOQAIGHFPYTB-CYBMUJFWSA-N 1 0 310.394 3.317 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000595013496 401233249 /nfs/dbraw/zinc/23/32/49/401233249.db2.gz IUMLDTQZZWHLGB-CYBMUJFWSA-N 1 0 321.421 3.127 20 5 DGBDRO CCC[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358350134 286039426 /nfs/dbraw/zinc/03/94/26/286039426.db2.gz FVZITFYEUHQGLQ-AAEUAGOBSA-N 1 0 320.311 3.339 20 5 DGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000065243067 401260330 /nfs/dbraw/zinc/26/03/30/401260330.db2.gz BACMYZPRWPTCDT-UHFFFAOYSA-N 1 0 304.390 3.484 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000359044140 286222583 /nfs/dbraw/zinc/22/25/83/286222583.db2.gz FYPOFQZTFWPGMH-LXTVHRRPSA-N 1 0 306.410 3.301 20 5 DGBDRO Cc1ccc(CN(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000359478053 286316831 /nfs/dbraw/zinc/31/68/31/286316831.db2.gz XFXYDVFJAMXUCQ-UHFFFAOYSA-N 1 0 313.401 3.254 20 5 DGBDRO Cc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000359952298 286396217 /nfs/dbraw/zinc/39/62/17/286396217.db2.gz LDGKUDQKCRSSPN-STQMWFEESA-N 1 0 307.369 3.105 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000360010507 286407521 /nfs/dbraw/zinc/40/75/21/286407521.db2.gz OAVYPMNKHFZACA-HNNXBMFYSA-N 1 0 323.824 3.308 20 5 DGBDRO COc1cccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000185452763 286456494 /nfs/dbraw/zinc/45/64/94/286456494.db2.gz XGKDZXGFBQRQFJ-CQSZACIVSA-N 1 0 319.405 3.058 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](CCC(C)C)CC2)n1 ZINC000360872599 286545586 /nfs/dbraw/zinc/54/55/86/286545586.db2.gz OWFNCHLJFYEELP-UHFFFAOYSA-N 1 0 320.437 3.468 20 5 DGBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000361652992 286707932 /nfs/dbraw/zinc/70/79/32/286707932.db2.gz HKUQKNQUJPBPPT-HIFRSBDPSA-N 1 0 314.389 3.328 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000362031193 286760066 /nfs/dbraw/zinc/76/00/66/286760066.db2.gz ZXBRVCQADGJRFZ-GJZGRUSLSA-N 1 0 314.389 3.144 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000364762217 287059133 /nfs/dbraw/zinc/05/91/33/287059133.db2.gz YOGORPWEUHLTEL-GFCCVEGCSA-N 1 0 317.301 3.086 20 5 DGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000185653051 165011304 /nfs/dbraw/zinc/01/13/04/165011304.db2.gz SLLBQBYFTLBIMZ-IUODEOHRSA-N 1 0 319.405 3.352 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000192558260 165296876 /nfs/dbraw/zinc/29/68/76/165296876.db2.gz XNLSEBSYSSDLBY-GFCCVEGCSA-N 1 0 323.441 3.042 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000246474112 165520993 /nfs/dbraw/zinc/52/09/93/165520993.db2.gz QSHJJFZWMJHHGR-BJJXKVORSA-N 1 0 322.430 3.300 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000293685932 165891817 /nfs/dbraw/zinc/89/18/17/165891817.db2.gz KSCUHWXCOIUUBI-ZBEGNZNMSA-N 1 0 308.378 3.069 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246739129 432160827 /nfs/dbraw/zinc/16/08/27/432160827.db2.gz PAVFIQWESXXNSX-WFASDCNBSA-N 1 0 310.781 3.249 20 5 DGBDRO C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[C@H]1[NH3+] ZINC000269244471 432155777 /nfs/dbraw/zinc/15/57/77/432155777.db2.gz DJAJVHUUMIMVCT-FZKQIMNGSA-N 1 0 319.408 3.197 20 5 DGBDRO CC(C)[NH+](CCNc1ncc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000129752035 196072631 /nfs/dbraw/zinc/07/26/31/196072631.db2.gz OICUQLAVJZVHHG-UHFFFAOYSA-N 1 0 300.790 3.174 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000269687165 432197438 /nfs/dbraw/zinc/19/74/38/432197438.db2.gz SXSHSGUAKRZKKY-ROUUACIJSA-N 1 0 312.369 3.465 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000130600663 196093815 /nfs/dbraw/zinc/09/38/15/196093815.db2.gz WWDABHMAISZSQO-AWEZNQCLSA-N 1 0 324.384 3.444 20 5 DGBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000130611467 196095498 /nfs/dbraw/zinc/09/54/98/196095498.db2.gz JNUTTWYHKIMWER-OAHLLOKOSA-N 1 0 300.362 3.272 20 5 DGBDRO C[C@@H](O)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000130802708 196111233 /nfs/dbraw/zinc/11/12/33/196111233.db2.gz BHBOPPIBANIFTC-LLVKDONJSA-N 1 0 306.387 3.136 20 5 DGBDRO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182594733 432208434 /nfs/dbraw/zinc/20/84/34/432208434.db2.gz IZPIDMKXJSOUHR-KBPBESRZSA-N 1 0 320.389 3.239 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172373305 432211362 /nfs/dbraw/zinc/21/13/62/432211362.db2.gz ZDJICVVMDZPYCO-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000132138807 196229613 /nfs/dbraw/zinc/22/96/13/196229613.db2.gz GOYHNVGRAGXONC-ZWKOTPCHSA-N 1 0 314.385 3.239 20 5 DGBDRO CCOc1cc(NC[C@@H]2CCC[N@H+](CC)C2)ccc1[N+](=O)[O-] ZINC000133260621 196325289 /nfs/dbraw/zinc/32/52/89/196325289.db2.gz LGFBEWNALKZJTM-ZDUSSCGKSA-N 1 0 307.394 3.137 20 5 DGBDRO O=C1CCC(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000296719351 226157442 /nfs/dbraw/zinc/15/74/42/226157442.db2.gz HKXBCNVEEMIMPX-UHFFFAOYSA-N 1 0 302.374 3.319 20 5 DGBDRO C[C@H](CO)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290975123 222040918 /nfs/dbraw/zinc/04/09/18/222040918.db2.gz XWLFREVVRULUQJ-VIFPVBQESA-N 1 0 321.204 3.400 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@](C)(OC)C2CC2)cc1[N+](=O)[O-] ZINC000291181771 222200335 /nfs/dbraw/zinc/20/03/35/222200335.db2.gz KQDUWJCADGROOX-PXAZEXFGSA-N 1 0 322.405 3.459 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000301725432 229854136 /nfs/dbraw/zinc/85/41/36/229854136.db2.gz POOFKHOEEHCMAJ-HUUCEWRRSA-N 1 0 321.421 3.205 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000301968133 230010181 /nfs/dbraw/zinc/01/01/81/230010181.db2.gz XQBZIJYQUMSUDC-GFCCVEGCSA-N 1 0 306.410 3.221 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000301973172 230015008 /nfs/dbraw/zinc/01/50/08/230015008.db2.gz ACGIWBAHPHPPLC-CYBMUJFWSA-N 1 0 317.311 3.366 20 5 DGBDRO Cc1cc(N2CCC[C@@H]([C@@H](C)O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302058208 230070752 /nfs/dbraw/zinc/07/07/52/230070752.db2.gz BKYKMCZFOOZAIM-CHWSQXEVSA-N 1 0 315.373 3.049 20 5 DGBDRO Cc1cc(NC[C@@H]2CCCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302158072 230132298 /nfs/dbraw/zinc/13/22/98/230132298.db2.gz JDZRRECBMAYBMN-ZDUSSCGKSA-N 1 0 301.346 3.432 20 5 DGBDRO O=[N+]([O-])c1cnc(NCCCCC[NH+]2CCCCC2)c(F)c1 ZINC000413146430 230139377 /nfs/dbraw/zinc/13/93/77/230139377.db2.gz PEPBYHFBBGONGW-UHFFFAOYSA-N 1 0 310.373 3.197 20 5 DGBDRO Cc1cc(NC[C@H]2CCC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302209295 230164398 /nfs/dbraw/zinc/16/43/98/230164398.db2.gz XYTJEJAYOVMQBG-GXTWGEPZSA-N 1 0 315.373 3.414 20 5 DGBDRO CN(CC1([NH+](C)C)CCC1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413253334 230169203 /nfs/dbraw/zinc/16/92/03/230169203.db2.gz ZIJWVXMMVAUNIK-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@H](C[NH+]1CCCCCC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000302479421 230262680 /nfs/dbraw/zinc/26/26/80/230262680.db2.gz XWEHJRHOROMURK-LLVKDONJSA-N 1 0 312.801 3.320 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccccc2Cl)cc1 ZINC000038079344 263515742 /nfs/dbraw/zinc/51/57/42/263515742.db2.gz GYJAYBBJTWFLBN-UHFFFAOYSA-N 1 0 306.749 3.417 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000346688344 264079265 /nfs/dbraw/zinc/07/92/65/264079265.db2.gz MYQSRNJRMAZLLV-LSDHHAIUSA-N 1 0 322.405 3.287 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[NH2+]1 ZINC000347051878 264147657 /nfs/dbraw/zinc/14/76/57/264147657.db2.gz RSAKPPROFMPSQB-STQMWFEESA-N 1 0 315.373 3.037 20 5 DGBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H]1C ZINC000347272082 264187632 /nfs/dbraw/zinc/18/76/32/264187632.db2.gz DFNYYMTWQHXSFP-SWLSCSKDSA-N 1 0 320.389 3.102 20 5 DGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000347327628 264197512 /nfs/dbraw/zinc/19/75/12/264197512.db2.gz XLNHXCFMSDOGHT-SWLSCSKDSA-N 1 0 323.824 3.307 20 5 DGBDRO C[C@]1(F)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347336322 264199278 /nfs/dbraw/zinc/19/92/78/264199278.db2.gz ATEUOLHWEDADCX-INIZCTEOSA-N 1 0 319.336 3.226 20 5 DGBDRO CC[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000347343770 264201637 /nfs/dbraw/zinc/20/16/37/264201637.db2.gz SVLQVUUONXBFNQ-QGZVFWFLSA-N 1 0 314.385 3.368 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000347384738 264210792 /nfs/dbraw/zinc/21/07/92/264210792.db2.gz YVICUPCNPIFWQO-LRFDDAOPSA-N 1 0 304.390 3.091 20 5 DGBDRO CC(C)C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccs1 ZINC000347601998 264250305 /nfs/dbraw/zinc/25/03/05/264250305.db2.gz BUTNCKAELLQSJD-NSHDSACASA-N 1 0 308.407 3.267 20 5 DGBDRO C[C@H](CO)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000348333949 264392500 /nfs/dbraw/zinc/39/25/00/264392500.db2.gz DHSOZYMLTBRKOC-VYLZPFMQSA-N 1 0 304.390 3.091 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1C ZINC000352349729 265011091 /nfs/dbraw/zinc/01/10/91/265011091.db2.gz HBESUXRNUPOHND-CHWSQXEVSA-N 1 0 314.389 3.062 20 5 DGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352618708 265106738 /nfs/dbraw/zinc/10/67/38/265106738.db2.gz SSLXIDAWJQAHEZ-TZMCWYRMSA-N 1 0 309.385 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccc(F)cc1)CCO2 ZINC000352678204 265126014 /nfs/dbraw/zinc/12/60/14/265126014.db2.gz NHWLQIIDKSDBQF-UHFFFAOYSA-N 1 0 302.305 3.129 20 5 DGBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000352795099 265171620 /nfs/dbraw/zinc/17/16/20/265171620.db2.gz JIYAPSQPMBZRPZ-CQSZACIVSA-N 1 0 303.337 3.412 20 5 DGBDRO CCn1cc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000352965800 265250054 /nfs/dbraw/zinc/25/00/54/265250054.db2.gz JPYYSGSMZLGODT-NSHDSACASA-N 1 0 322.796 3.358 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353017273 265266734 /nfs/dbraw/zinc/26/67/34/265266734.db2.gz BROHBFAILQCPOC-QWRGUYRKSA-N 1 0 300.305 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](COC(F)F)C1 ZINC000353024746 265268993 /nfs/dbraw/zinc/26/89/93/265268993.db2.gz PNJBLXKKGVITDF-VIFPVBQESA-N 1 0 320.723 3.309 20 5 DGBDRO CC[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)OC ZINC000353113598 265302432 /nfs/dbraw/zinc/30/24/32/265302432.db2.gz LCCIHHLBDAALCK-AWEZNQCLSA-N 1 0 304.346 3.369 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]cc2c1 ZINC000353287075 265374530 /nfs/dbraw/zinc/37/45/30/265374530.db2.gz OBJLBQNGXHWLHG-LBPRGKRZSA-N 1 0 310.357 3.364 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC000353924165 265597721 /nfs/dbraw/zinc/59/77/21/265597721.db2.gz PSWQHDGIMOMRLW-ZDUSSCGKSA-N 1 0 310.357 3.402 20 5 DGBDRO COc1cccc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000355333888 266042083 /nfs/dbraw/zinc/04/20/83/266042083.db2.gz RBBMHMGAQHRXHG-OLZOCXBDSA-N 1 0 307.394 3.136 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000355488223 266090231 /nfs/dbraw/zinc/09/02/31/266090231.db2.gz UOMWJBOBYLOUBR-HNNXBMFYSA-N 1 0 306.406 3.359 20 5 DGBDRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000355599130 266127791 /nfs/dbraw/zinc/12/77/91/266127791.db2.gz BQXCMNUGVXJEEQ-NEPJUHHUSA-N 1 0 308.378 3.138 20 5 DGBDRO CCCCOC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000362457072 271017477 /nfs/dbraw/zinc/01/74/77/271017477.db2.gz YEWUPQOBITYKAI-UHFFFAOYSA-N 1 0 322.405 3.255 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000369419268 271273824 /nfs/dbraw/zinc/27/38/24/271273824.db2.gz QWLLXNFIOSCWGR-GJZGRUSLSA-N 1 0 304.390 3.233 20 5 DGBDRO CC1(C)C[C@H](NCC[C@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000423355736 273589008 /nfs/dbraw/zinc/58/90/08/273589008.db2.gz GAIUENVVPZFVLB-WBMJQRKESA-N 1 0 303.406 3.049 20 5 DGBDRO CC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000278383171 273594479 /nfs/dbraw/zinc/59/44/79/273594479.db2.gz DEJNPDXUXRZOLV-MRXNPFEDSA-N 1 0 304.390 3.379 20 5 DGBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000459766505 273737102 /nfs/dbraw/zinc/73/71/02/273737102.db2.gz DSWPERXVGJDTCS-OLZOCXBDSA-N 1 0 318.295 3.271 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000192833213 274225782 /nfs/dbraw/zinc/22/57/82/274225782.db2.gz ORSGQPGQOKAELZ-SJCJKPOMSA-N 1 0 303.406 3.045 20 5 DGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H](c1ccccc1)[NH+](C)C ZINC000287787062 274264814 /nfs/dbraw/zinc/26/48/14/274264814.db2.gz OPNNUZDTRCOKCF-ZWNOBZJWSA-N 1 0 306.391 3.155 20 5 DGBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000429573257 274317278 /nfs/dbraw/zinc/31/72/78/274317278.db2.gz YSYISLOUCSKUQQ-RISCZKNCSA-N 1 0 306.362 3.082 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449576127 274498827 /nfs/dbraw/zinc/49/88/27/274498827.db2.gz ZVMRETUXSUVMBM-YRGRVCCFSA-N 1 0 300.362 3.018 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000420236272 275033288 /nfs/dbraw/zinc/03/32/88/275033288.db2.gz ZXTHXENPECDTHQ-ZDUSSCGKSA-N 1 0 316.188 3.091 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC2(CC[NH2+]2)CC1 ZINC000422542753 275033294 /nfs/dbraw/zinc/03/32/94/275033294.db2.gz RBIRPVMRAKCDRI-UHFFFAOYSA-N 1 0 316.188 3.234 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186696968 275035143 /nfs/dbraw/zinc/03/51/43/275035143.db2.gz PSWLRQWDQMNUBS-LJQANCHMSA-N 1 0 324.380 3.269 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000278222887 275038416 /nfs/dbraw/zinc/03/84/16/275038416.db2.gz JFVSQYDKXNJGFC-SQNIBIBYSA-N 1 0 315.417 3.189 20 5 DGBDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000271809796 275675520 /nfs/dbraw/zinc/67/55/20/275675520.db2.gz AONWFSAKUAYBOI-RHSMWYFYSA-N 1 0 320.433 3.303 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CC2(CO)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433232197 275859904 /nfs/dbraw/zinc/85/99/04/275859904.db2.gz BKCJMTILKGEOJW-OAHLLOKOSA-N 1 0 304.390 3.069 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000331947030 275862030 /nfs/dbraw/zinc/86/20/30/275862030.db2.gz KBHVHJUAHFTZRB-XHSDSOJGSA-N 1 0 304.390 3.210 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCOC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433084404 275867674 /nfs/dbraw/zinc/86/76/74/275867674.db2.gz BBAQYDMHNYFHKK-LBPRGKRZSA-N 1 0 318.295 3.443 20 5 DGBDRO CCOC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000302175134 276311952 /nfs/dbraw/zinc/31/19/52/276311952.db2.gz MTAPSVGZHCSWMM-UHFFFAOYSA-N 1 0 315.373 3.457 20 5 DGBDRO COc1cccc2c1CC[C@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000482490891 278036166 /nfs/dbraw/zinc/03/61/66/278036166.db2.gz OPOMNSJNHSHWLG-QGZVFWFLSA-N 1 0 312.369 3.423 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000341679785 278257483 /nfs/dbraw/zinc/25/74/83/278257483.db2.gz BTBSUESHQUVUCG-ZDUSSCGKSA-N 1 0 302.378 3.002 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc21 ZINC000185576613 278260166 /nfs/dbraw/zinc/26/01/66/278260166.db2.gz GWOFSHDNQTVRLO-GUYCJALGSA-N 1 0 312.369 3.292 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000417306758 278286452 /nfs/dbraw/zinc/28/64/52/278286452.db2.gz GLDAXFFUAQFMRT-IGCXYCKISA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])O1 ZINC000453413351 278604023 /nfs/dbraw/zinc/60/40/23/278604023.db2.gz RQRRFAVZIAKSRQ-YALNPMBYSA-N 1 0 318.417 3.463 20 5 DGBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000287391798 278853154 /nfs/dbraw/zinc/85/31/54/278853154.db2.gz ISJGZHICMHCGLM-IFIJOSMWSA-N 1 0 304.390 3.234 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)c1ccccn1 ZINC000449396607 279382110 /nfs/dbraw/zinc/38/21/10/279382110.db2.gz ZJPDKRCVWIKADV-CQSZACIVSA-N 1 0 313.401 3.488 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccncc1F ZINC000449309287 279382466 /nfs/dbraw/zinc/38/24/66/279382466.db2.gz CVPPLANMEUICOS-NEPJUHHUSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@H]([NH3+])C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000261996697 279394368 /nfs/dbraw/zinc/39/43/68/279394368.db2.gz UPZXJOWRXSIRGH-VIFPVBQESA-N 1 0 317.311 3.177 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000069227641 431171161 /nfs/dbraw/zinc/17/11/61/431171161.db2.gz CEFLZKAVMKFFIJ-ZDUSSCGKSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000111253941 431201696 /nfs/dbraw/zinc/20/16/96/431201696.db2.gz YSIXXHHEWJLQOH-GFCCVEGCSA-N 1 0 307.394 3.210 20 5 DGBDRO O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000072058323 431328847 /nfs/dbraw/zinc/32/88/47/431328847.db2.gz NOAYKGVPHSVXAA-UHFFFAOYSA-N 1 0 308.297 3.237 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC1CC1 ZINC000114724192 431405781 /nfs/dbraw/zinc/40/57/81/431405781.db2.gz NPLHUGBZZIHPHU-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCCC[C@H]3O)o2)c1 ZINC000116342991 431502969 /nfs/dbraw/zinc/50/29/69/431502969.db2.gz WHSXNTFXQGMZCR-HZPDHXFCSA-N 1 0 316.357 3.248 20 5 DGBDRO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000076416134 431550551 /nfs/dbraw/zinc/55/05/51/431550551.db2.gz OMEWXLNYQKLLPO-UHFFFAOYSA-N 1 0 308.378 3.149 20 5 DGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000343797419 280101902 /nfs/dbraw/zinc/10/19/02/280101902.db2.gz UQLGJIOZXZJBNN-AAEUAGOBSA-N 1 0 309.797 3.311 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000186794404 280374888 /nfs/dbraw/zinc/37/48/88/280374888.db2.gz ZYUYFSZWTZBVFS-AAJLLMFJSA-N 1 0 318.417 3.199 20 5 DGBDRO Cc1cc(NC2CCC(O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302198621 280626167 /nfs/dbraw/zinc/62/61/67/280626167.db2.gz UFKQQAJWEUWVJN-UHFFFAOYSA-N 1 0 301.346 3.167 20 5 DGBDRO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121186420 431749791 /nfs/dbraw/zinc/74/97/91/431749791.db2.gz LYUVAUZQKHHWPQ-VFQAQYNWSA-N 1 0 312.373 3.211 20 5 DGBDRO Cc1c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631234 431799166 /nfs/dbraw/zinc/79/91/66/431799166.db2.gz VLHKICZXKZCAJA-INIZCTEOSA-N 1 0 317.433 3.067 20 5 DGBDRO C[C@H](NCCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000122141915 431815505 /nfs/dbraw/zinc/81/55/05/431815505.db2.gz DEJIKSYGZLCJAN-HNNXBMFYSA-N 1 0 305.422 3.367 20 5 DGBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488736075 288260993 /nfs/dbraw/zinc/26/09/93/288260993.db2.gz QOFFQQFDTHUGCR-LBPRGKRZSA-N 1 0 307.369 3.045 20 5 DGBDRO C[NH+](C)CCCC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000123423802 431864589 /nfs/dbraw/zinc/86/45/89/431864589.db2.gz NKTSDKGFHIBXGY-UHFFFAOYSA-N 1 0 323.412 3.288 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000123464114 431865365 /nfs/dbraw/zinc/86/53/65/431865365.db2.gz RRWYLWDFBIGQEG-PHIMTYICSA-N 1 0 302.334 3.018 20 5 DGBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123764046 431873862 /nfs/dbraw/zinc/87/38/62/431873862.db2.gz HQVSWFSBXUTKHH-SMDDNHRTSA-N 1 0 312.797 3.374 20 5 DGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCC1 ZINC000047967729 431917456 /nfs/dbraw/zinc/91/74/56/431917456.db2.gz WGEMZZVJJNGGFY-UHFFFAOYSA-N 1 0 306.362 3.226 20 5 DGBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(C)o1 ZINC000125308618 431920944 /nfs/dbraw/zinc/92/09/44/431920944.db2.gz IOKYXQGYDDDXMT-UHFFFAOYSA-N 1 0 318.373 3.187 20 5 DGBDRO CCSc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090539395 431892699 /nfs/dbraw/zinc/89/26/99/431892699.db2.gz VLDUXPGCBSOFCE-LBPRGKRZSA-N 1 0 320.418 3.254 20 5 DGBDRO CC(C)CC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559529 431893122 /nfs/dbraw/zinc/89/31/22/431893122.db2.gz NGBVZWZOCMLAGQ-OAHLLOKOSA-N 1 0 321.421 3.047 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000182850419 281020234 /nfs/dbraw/zinc/02/02/34/281020234.db2.gz WMBOBBCCUBPZRN-IIDMSEBBSA-N 1 0 317.433 3.380 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128377489 431993079 /nfs/dbraw/zinc/99/30/79/431993079.db2.gz KKRCRZOZLVLZHA-GOEBONIOSA-N 1 0 318.352 3.204 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1cccc([N+](=O)[O-])c1 ZINC000183236480 432272440 /nfs/dbraw/zinc/27/24/40/432272440.db2.gz NADHSBJCLDUCAI-QWHCGFSZSA-N 1 0 300.358 3.499 20 5 DGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191560838 432277842 /nfs/dbraw/zinc/27/78/42/432277842.db2.gz XHCMJOMMJLYQQT-YOEHRIQHSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000191668613 432289122 /nfs/dbraw/zinc/28/91/22/432289122.db2.gz XSRZTKPRJXWANU-QGZVFWFLSA-N 1 0 306.406 3.324 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000248526791 432298687 /nfs/dbraw/zinc/29/86/87/432298687.db2.gz GGUVLHFIKGZQGA-CJNGLKHVSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000248552736 432300241 /nfs/dbraw/zinc/30/02/41/432300241.db2.gz JFCOXBLRWACAEB-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCOCC1 ZINC000271107546 432331352 /nfs/dbraw/zinc/33/13/52/432331352.db2.gz GMVONSYWRUKYGI-GFCCVEGCSA-N 1 0 310.419 3.234 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000271143780 432336572 /nfs/dbraw/zinc/33/65/72/432336572.db2.gz OWKUSNJVEQLYGI-OBJOEFQTSA-N 1 0 308.378 3.069 20 5 DGBDRO C[C@@H](C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000184008488 432345858 /nfs/dbraw/zinc/34/58/58/432345858.db2.gz KSYKRWKFKNNJKK-LBPRGKRZSA-N 1 0 321.402 3.166 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000174823155 432373324 /nfs/dbraw/zinc/37/33/24/432373324.db2.gz KDPPRCQQKVNPOL-OAHLLOKOSA-N 1 0 320.780 3.282 20 5 DGBDRO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000192445131 432374752 /nfs/dbraw/zinc/37/47/52/432374752.db2.gz RCJIKRZQSUNSEH-OAHLLOKOSA-N 1 0 312.369 3.251 20 5 DGBDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174868935 432375270 /nfs/dbraw/zinc/37/52/70/432375270.db2.gz CHIYBHXKXASEAX-LBPRGKRZSA-N 1 0 322.796 3.008 20 5 DGBDRO CCOc1cc(NCCCCn2ccnc2C)ccc1[N+](=O)[O-] ZINC000174916754 432379406 /nfs/dbraw/zinc/37/94/06/432379406.db2.gz ANSHTYRTQCISDX-UHFFFAOYSA-N 1 0 318.377 3.391 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000252731142 432385717 /nfs/dbraw/zinc/38/57/17/432385717.db2.gz OLXYDRMSZZWIGL-QOKQMOMRSA-N 1 0 312.435 3.183 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1ccccc1)CCC2 ZINC000192597771 432392348 /nfs/dbraw/zinc/39/23/48/432392348.db2.gz MKZFDZARXGIAHX-ROUUACIJSA-N 1 0 312.369 3.295 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000271423250 432393077 /nfs/dbraw/zinc/39/30/77/432393077.db2.gz CDOJOOCGMGWRFK-CJNGLKHVSA-N 1 0 302.378 3.311 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000271423247 432393113 /nfs/dbraw/zinc/39/31/13/432393113.db2.gz CDOJOOCGMGWRFK-BBRMVZONSA-N 1 0 302.378 3.311 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192623284 432393899 /nfs/dbraw/zinc/39/38/99/432393899.db2.gz LVIVOVSUQTXHAI-JSGCOSHPSA-N 1 0 305.378 3.044 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000153242150 432394426 /nfs/dbraw/zinc/39/44/26/432394426.db2.gz BZYAFFDHORADIG-OCCSQVGLSA-N 1 0 308.378 3.213 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000255076481 432407628 /nfs/dbraw/zinc/40/76/28/432407628.db2.gz ARQCFXORQINSLT-ZXYDQQDNSA-N 1 0 324.380 3.200 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000192685530 432400790 /nfs/dbraw/zinc/40/07/90/432400790.db2.gz RRNRIUUTFXGKKJ-NEPJUHHUSA-N 1 0 323.393 3.159 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000271485986 432405415 /nfs/dbraw/zinc/40/54/15/432405415.db2.gz DWMJSRVSSGJPNL-HZSPNIEDSA-N 1 0 322.405 3.459 20 5 DGBDRO [NH3+]CCN(Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261557255 432430490 /nfs/dbraw/zinc/43/04/90/432430490.db2.gz XDCCNKQVUCCIDC-UHFFFAOYSA-N 1 0 319.792 3.209 20 5 DGBDRO Cc1cnc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])s1 ZINC000185009693 432455843 /nfs/dbraw/zinc/45/58/43/432455843.db2.gz BLNMTGIZHPZDNX-NSHDSACASA-N 1 0 307.375 3.089 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000153942799 432458326 /nfs/dbraw/zinc/45/83/26/432458326.db2.gz KJXSBQSNHDQYSM-BJJXKVORSA-N 1 0 322.405 3.195 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000271506442 432409354 /nfs/dbraw/zinc/40/93/54/432409354.db2.gz LIVLLMZWKQKHSB-WMLDXEAASA-N 1 0 322.405 3.287 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000271532717 432416905 /nfs/dbraw/zinc/41/69/05/432416905.db2.gz MNUJFCAODJJRDG-RISCZKNCSA-N 1 0 306.362 3.224 20 5 DGBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000261883406 432458811 /nfs/dbraw/zinc/45/88/11/432458811.db2.gz UMYVXJMCCBCXMO-ZIAGYGMSSA-N 1 0 319.408 3.197 20 5 DGBDRO Cc1noc(C)c1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192844635 432420463 /nfs/dbraw/zinc/42/04/63/432420463.db2.gz PQQSIUVTSMPMRY-QGZVFWFLSA-N 1 0 315.373 3.409 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000153623940 432426010 /nfs/dbraw/zinc/42/60/10/432426010.db2.gz YMRVYXYHGUNELX-CHWSQXEVSA-N 1 0 321.421 3.127 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153645081 432427645 /nfs/dbraw/zinc/42/76/45/432427645.db2.gz QAXAMCWVVWMNRK-LLVKDONJSA-N 1 0 312.801 3.176 20 5 DGBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCCC1 ZINC000185166450 432473105 /nfs/dbraw/zinc/47/31/05/432473105.db2.gz YTIQMRPKESMYQU-UHFFFAOYSA-N 1 0 323.368 3.327 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000185189881 432474000 /nfs/dbraw/zinc/47/40/00/432474000.db2.gz UUZXQEVUNUQOKB-PBHICJAKSA-N 1 0 322.405 3.287 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000185189899 432474793 /nfs/dbraw/zinc/47/47/93/432474793.db2.gz UUZXQEVUNUQOKB-WMLDXEAASA-N 1 0 322.405 3.287 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](CC)CCO)cc1[N+](=O)[O-] ZINC000154195952 432482051 /nfs/dbraw/zinc/48/20/51/432482051.db2.gz SEBLTCDOKDQWPX-QWHCGFSZSA-N 1 0 310.394 3.053 20 5 DGBDRO Cc1c(CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000262511725 432488241 /nfs/dbraw/zinc/48/82/41/432488241.db2.gz NARPQPVKLDKUMD-BBRMVZONSA-N 1 0 305.422 3.304 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000176041735 432488915 /nfs/dbraw/zinc/48/89/15/432488915.db2.gz SZYGTILJZRNXOA-NHYWBVRUSA-N 1 0 306.362 3.130 20 5 DGBDRO COc1cc(CN(C)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000154454398 432499559 /nfs/dbraw/zinc/49/95/59/432499559.db2.gz YPLXLJZVEIGHOZ-UHFFFAOYSA-N 1 0 316.357 3.244 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccoc2)C2CCCCC2)n1 ZINC000176262452 432505523 /nfs/dbraw/zinc/50/55/23/432505523.db2.gz SXICHGJLVOOIIR-UHFFFAOYSA-N 1 0 318.377 3.219 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2ccc3c(c2)CCO3)cc1 ZINC000193309162 432465347 /nfs/dbraw/zinc/46/53/47/432465347.db2.gz LXYPZXHATKNPIV-UHFFFAOYSA-N 1 0 312.369 3.252 20 5 DGBDRO C[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000155541344 432561253 /nfs/dbraw/zinc/56/12/53/432561253.db2.gz DTEATAIAIUWCGL-AWEZNQCLSA-N 1 0 319.405 3.038 20 5 DGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185605582 432515673 /nfs/dbraw/zinc/51/56/73/432515673.db2.gz YCVOTZYBQQGORO-SMDDNHRTSA-N 1 0 316.361 3.265 20 5 DGBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000185825239 432537051 /nfs/dbraw/zinc/53/70/51/432537051.db2.gz PEUNHGZJCWISMH-YWVDXFKGSA-N 1 0 316.357 3.272 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000273058099 432544783 /nfs/dbraw/zinc/54/47/83/432544783.db2.gz LVUXPFLDZBANPK-UONOGXRCSA-N 1 0 322.405 3.288 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000273058097 432545391 /nfs/dbraw/zinc/54/53/91/432545391.db2.gz LVUXPFLDZBANPK-KBPBESRZSA-N 1 0 322.405 3.288 20 5 DGBDRO C[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO[C@H]1C1CC1 ZINC000273073411 432546863 /nfs/dbraw/zinc/54/68/63/432546863.db2.gz OUQZPHUBNYBDCM-LSDHHAIUSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@H]1C[C@@H](CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000273079412 432547839 /nfs/dbraw/zinc/54/78/39/432547839.db2.gz QEXJRBTVNDQDAD-PGXISHIXSA-N 1 0 304.390 3.403 20 5 DGBDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000156002319 432586367 /nfs/dbraw/zinc/58/63/67/432586367.db2.gz LADJDNQTPOTXOV-LLVKDONJSA-N 1 0 303.362 3.401 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCCC1 ZINC000186479447 432598328 /nfs/dbraw/zinc/59/83/28/432598328.db2.gz WPEWRMBCVVVTHP-CQSZACIVSA-N 1 0 306.406 3.058 20 5 DGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000195509138 432624629 /nfs/dbraw/zinc/62/46/29/432624629.db2.gz YOSUSOMVZXRMPE-RYUDHWBXSA-N 1 0 312.439 3.221 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000216230061 432646130 /nfs/dbraw/zinc/64/61/30/432646130.db2.gz LOPKSPHJLLTQDH-ZOBORPQBSA-N 1 0 319.405 3.336 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000158492535 432647540 /nfs/dbraw/zinc/64/75/40/432647540.db2.gz IPYBFIVIMJFHHI-WFASDCNBSA-N 1 0 323.824 3.164 20 5 DGBDRO C[NH+](C)C[C@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000264942400 432665221 /nfs/dbraw/zinc/66/52/21/432665221.db2.gz IOKKAOLUIGFMSB-SNVBAGLBSA-N 1 0 317.311 3.002 20 5 DGBDRO COc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000177841796 432666790 /nfs/dbraw/zinc/66/67/90/432666790.db2.gz CGHJYXYVZYNINQ-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO COc1ccc(C[NH2+]C2(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000187491687 432667462 /nfs/dbraw/zinc/66/74/62/432667462.db2.gz LQUMGSWRNBZEGB-UHFFFAOYSA-N 1 0 312.369 3.468 20 5 DGBDRO CC(C)OCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178191196 432704706 /nfs/dbraw/zinc/70/47/06/432704706.db2.gz YEFKHQFWWLUQHT-MRXNPFEDSA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000159201652 432674303 /nfs/dbraw/zinc/67/43/03/432674303.db2.gz NINGHZHBAAGUGA-JQFCIGGWSA-N 1 0 306.406 3.495 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000159202533 432674615 /nfs/dbraw/zinc/67/46/15/432674615.db2.gz CQVSSTUWAZBSLB-RRQGHBQHSA-N 1 0 306.406 3.495 20 5 DGBDRO C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000159554498 432687339 /nfs/dbraw/zinc/68/73/39/432687339.db2.gz NPUHDEOHFCBBNF-CQSZACIVSA-N 1 0 319.405 3.038 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178554162 432751558 /nfs/dbraw/zinc/75/15/58/432751558.db2.gz DOTUQKRXYWKEPD-OLZOCXBDSA-N 1 0 300.358 3.499 20 5 DGBDRO Cc1cnc(NC[C@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000266198656 432753679 /nfs/dbraw/zinc/75/36/79/432753679.db2.gz ITQCCWGELOFNRJ-CYBMUJFWSA-N 1 0 306.391 3.075 20 5 DGBDRO COCCCOC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266513145 432759211 /nfs/dbraw/zinc/75/92/11/432759211.db2.gz FFDVZWOWMNPXJP-AWEZNQCLSA-N 1 0 322.405 3.173 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cnn(C)c1 ZINC000266534250 432761407 /nfs/dbraw/zinc/76/14/07/432761407.db2.gz NBSMBVKSDQAWQU-WFASDCNBSA-N 1 0 300.362 3.226 20 5 DGBDRO C[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178658122 432763142 /nfs/dbraw/zinc/76/31/42/432763142.db2.gz RJPDVWYGQMHLEG-CQSZACIVSA-N 1 0 322.405 3.079 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000266546235 432763176 /nfs/dbraw/zinc/76/31/76/432763176.db2.gz RRUQLXDRDAJPTG-ZDUSSCGKSA-N 1 0 314.389 3.269 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000236892149 432768875 /nfs/dbraw/zinc/76/88/75/432768875.db2.gz TVEWPXGZNFERMF-JKSUJKDBSA-N 1 0 304.390 3.422 20 5 DGBDRO C[N@@H+](Cc1cc(=O)oc2ccc3ccccc3c12)C[C@H]1CCOC1 ZINC000178776326 432776556 /nfs/dbraw/zinc/77/65/56/432776556.db2.gz UTZPADSMOQRELB-CQSZACIVSA-N 1 0 323.392 3.415 20 5 DGBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000189334535 432779107 /nfs/dbraw/zinc/77/91/07/432779107.db2.gz GRWUJOOFTBNLPH-JKSUJKDBSA-N 1 0 316.357 3.104 20 5 DGBDRO COc1ccc(C[NH2+][C@](C)(CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000265785142 432731045 /nfs/dbraw/zinc/73/10/45/432731045.db2.gz PGDMLWWLWNNCLX-QGZVFWFLSA-N 1 0 322.405 3.024 20 5 DGBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000276554929 432818294 /nfs/dbraw/zinc/81/82/94/432818294.db2.gz KVDMGKPVFUKCBG-JHJVBQTASA-N 1 0 308.378 3.142 20 5 DGBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000276554934 432819055 /nfs/dbraw/zinc/81/90/55/432819055.db2.gz KVDMGKPVFUKCBG-UPJWGTAASA-N 1 0 308.378 3.142 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000267181883 432820401 /nfs/dbraw/zinc/82/04/01/432820401.db2.gz KKUVVGZEWHHNNX-SJKOYZFVSA-N 1 0 318.348 3.254 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C2CCCC2)CC1 ZINC000267199438 432821568 /nfs/dbraw/zinc/82/15/68/432821568.db2.gz OGCUQZADQSVVCB-UHFFFAOYSA-N 1 0 304.394 3.117 20 5 DGBDRO CC(=O)c1ccc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000267290291 432830008 /nfs/dbraw/zinc/83/00/08/432830008.db2.gz REKYDPSTIXPMED-KBPBESRZSA-N 1 0 305.378 3.082 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000161546388 432785263 /nfs/dbraw/zinc/78/52/63/432785263.db2.gz FMVYGRXWAKFBJA-CZUORRHYSA-N 1 0 300.358 3.022 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000178869756 432785522 /nfs/dbraw/zinc/78/55/22/432785522.db2.gz OBDQTXVSNWWGBS-UHFFFAOYSA-N 1 0 311.332 3.159 20 5 DGBDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266777601 432787232 /nfs/dbraw/zinc/78/72/32/432787232.db2.gz LVSHBYDRZUMFDV-SUMWQHHRSA-N 1 0 300.358 3.287 20 5 DGBDRO CCC[NH+]1CCC(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000161619539 432789323 /nfs/dbraw/zinc/78/93/23/432789323.db2.gz IQGGXZZWZBAGLJ-AWEZNQCLSA-N 1 0 305.422 3.428 20 5 DGBDRO CCC[NH+]1CCC(N[C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000161619625 432790203 /nfs/dbraw/zinc/79/02/03/432790203.db2.gz IQGGXZZWZBAGLJ-CQSZACIVSA-N 1 0 305.422 3.428 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC[C@@H]3CCCO3)CC2)cc1 ZINC000189476993 432790305 /nfs/dbraw/zinc/79/03/05/432790305.db2.gz OFIGZQWPXSGULL-HNNXBMFYSA-N 1 0 320.389 3.007 20 5 DGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000276404992 432805088 /nfs/dbraw/zinc/80/50/88/432805088.db2.gz HHKCTQZSOXCFNI-UHFFFAOYSA-N 1 0 321.421 3.097 20 5 DGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000276467719 432811028 /nfs/dbraw/zinc/81/10/28/432811028.db2.gz OSLGBWPWCVRNGR-UHFFFAOYSA-N 1 0 321.421 3.097 20 5 DGBDRO CC(C)[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267084289 432812962 /nfs/dbraw/zinc/81/29/62/432812962.db2.gz YUXCBVUXSRSCOU-UHFFFAOYSA-N 1 0 309.385 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(O)CCC3)s2)cc1 ZINC000238143566 432813663 /nfs/dbraw/zinc/81/36/63/432813663.db2.gz WZFAXKGBYAFVQD-UHFFFAOYSA-N 1 0 318.398 3.328 20 5 DGBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000268269201 432859893 /nfs/dbraw/zinc/85/98/93/432859893.db2.gz TZDHLWKSRQWUJW-LLVKDONJSA-N 1 0 312.801 3.033 20 5 DGBDRO CC(C)(CCCO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278160337 432888573 /nfs/dbraw/zinc/88/85/73/432888573.db2.gz AUYIXEYYZWQUIW-MRXNPFEDSA-N 1 0 306.406 3.361 20 5 DGBDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163261202 432848622 /nfs/dbraw/zinc/84/86/22/432848622.db2.gz OBFIETVDLMAYKC-SUMWQHHRSA-N 1 0 300.358 3.287 20 5 DGBDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000296554349 432922362 /nfs/dbraw/zinc/92/23/62/432922362.db2.gz CBWXHOZJDUHJRO-KEYYUXOJSA-N 1 0 314.389 3.058 20 5 DGBDRO CCOC(=O)CCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296751461 432926235 /nfs/dbraw/zinc/92/62/35/432926235.db2.gz PQUHKYVFTHGPAJ-ZDUSSCGKSA-N 1 0 308.378 3.369 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000331085209 432929058 /nfs/dbraw/zinc/92/90/58/432929058.db2.gz OKUCTVACFJIZON-JKSUJKDBSA-N 1 0 310.369 3.417 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000331155325 432932619 /nfs/dbraw/zinc/93/26/19/432932619.db2.gz YHXWFMRLSSIVNJ-MRVWCRGKSA-N 1 0 319.405 3.256 20 5 DGBDRO Cc1ccccc1[C@H]([C@H](C)Nc1ncc([N+](=O)[O-])s1)[NH+](C)C ZINC000343818061 292689172 /nfs/dbraw/zinc/68/91/72/292689172.db2.gz YWLOGDOABDNHQM-FZMZJTMJSA-N 1 0 320.418 3.463 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331518166 432946431 /nfs/dbraw/zinc/94/64/31/432946431.db2.gz FRTOJCHOCYJHBQ-XJKSGUPXSA-N 1 0 317.389 3.188 20 5 DGBDRO C[C@H](CCCCO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296348810 432898712 /nfs/dbraw/zinc/89/87/12/432898712.db2.gz IEECMFUSQBEVLP-CJNGLKHVSA-N 1 0 306.406 3.057 20 5 DGBDRO CCC(CC)[N@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000288797677 432899315 /nfs/dbraw/zinc/89/93/15/432899315.db2.gz CTUMZGIMGKWGTE-UHFFFAOYSA-N 1 0 308.378 3.472 20 5 DGBDRO CC1(C)CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000330448595 432910850 /nfs/dbraw/zinc/91/08/50/432910850.db2.gz IQQOBGOFXIFUFK-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330615687 432920542 /nfs/dbraw/zinc/92/05/42/432920542.db2.gz CQNQANAUFXKBOT-CQSZACIVSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000332080972 432971772 /nfs/dbraw/zinc/97/17/72/432971772.db2.gz KXUUVWLDBUNEOB-AAEUAGOBSA-N 1 0 316.361 3.145 20 5 DGBDRO CC(C)[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289783289 432974736 /nfs/dbraw/zinc/97/47/36/432974736.db2.gz LFYMZTPMIZAZCB-UHFFFAOYSA-N 1 0 307.177 3.104 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332159288 432978563 /nfs/dbraw/zinc/97/85/63/432978563.db2.gz KIKBSDVKIKMPEV-NHYWBVRUSA-N 1 0 302.378 3.482 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290077434 432987854 /nfs/dbraw/zinc/98/78/54/432987854.db2.gz YTLBCDUKJSCGHX-YPMHNXCESA-N 1 0 320.780 3.453 20 5 DGBDRO C[NH+](C)C[C@H](NCc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000290116038 432994134 /nfs/dbraw/zinc/99/41/34/432994134.db2.gz LSTYMOMAQJONKP-AWEZNQCLSA-N 1 0 323.393 3.188 20 5 DGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000289377833 432951724 /nfs/dbraw/zinc/95/17/24/432951724.db2.gz BZZVJTRDXAPXCS-OAHLLOKOSA-N 1 0 322.405 3.253 20 5 DGBDRO C[C@H](CO)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000289404828 432955525 /nfs/dbraw/zinc/95/55/25/432955525.db2.gz GZVJWVSFHVBYPD-LLVKDONJSA-N 1 0 306.387 3.136 20 5 DGBDRO Cc1ccc(C[NH2+]CC[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000289455343 432963607 /nfs/dbraw/zinc/96/36/07/432963607.db2.gz NRLUFCNHPFZLIJ-KRWDZBQOSA-N 1 0 300.358 3.117 20 5 DGBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290175716 433006959 /nfs/dbraw/zinc/00/69/59/433006959.db2.gz NCOSGWPZCBWNHK-KQTLUZQSSA-N 1 0 306.406 3.319 20 5 DGBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000349846441 433019735 /nfs/dbraw/zinc/01/97/35/433019735.db2.gz BNKUFFHREGOODZ-SFAKSCPVSA-N 1 0 316.357 3.272 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000290276381 433025394 /nfs/dbraw/zinc/02/53/94/433025394.db2.gz WSQNROOQGRIMMP-SWLSCSKDSA-N 1 0 322.405 3.195 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000297954309 433036239 /nfs/dbraw/zinc/03/62/39/433036239.db2.gz TVRXMFJUGLSLQT-GFCCVEGCSA-N 1 0 323.393 3.052 20 5 DGBDRO Cc1ccncc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000280349843 433038571 /nfs/dbraw/zinc/03/85/71/433038571.db2.gz RFNRRANHICGXTH-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO Cc1cc(N[C@@H](C)Cn2ccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000290453235 433058258 /nfs/dbraw/zinc/05/82/58/433058258.db2.gz DJQJUYWXYHEOFF-LBPRGKRZSA-N 1 0 311.345 3.149 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000341491354 433090259 /nfs/dbraw/zinc/09/02/59/433090259.db2.gz UCGYYGCDRSIEKO-NEPJUHHUSA-N 1 0 308.378 3.138 20 5 DGBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449120831 289428978 /nfs/dbraw/zinc/42/89/78/289428978.db2.gz FOXWVPZUAZSANL-QWHCGFSZSA-N 1 0 322.405 3.236 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)[C@@H](C)O ZINC000453334140 433097367 /nfs/dbraw/zinc/09/73/67/433097367.db2.gz JHLUURNIWJDVTQ-UPJWGTAASA-N 1 0 312.435 3.215 20 5 DGBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000420225536 433125416 /nfs/dbraw/zinc/12/54/16/433125416.db2.gz DRSMJJDSIDXSLJ-BCMRRPTOSA-N 1 0 316.188 3.075 20 5 DGBDRO CCC[C@@]1(CO)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000446904455 433126485 /nfs/dbraw/zinc/12/64/85/433126485.db2.gz APPPSUPKOXIYAV-AFCDSYGPSA-N 1 0 304.390 3.235 20 5 DGBDRO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453372216 433128586 /nfs/dbraw/zinc/12/85/86/433128586.db2.gz SCLHSMDYKOGQJR-OAHLLOKOSA-N 1 0 306.406 3.359 20 5 DGBDRO Cc1nccnc1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000446931519 433132572 /nfs/dbraw/zinc/13/25/72/433132572.db2.gz RERALEHXCQSZNO-CYBMUJFWSA-N 1 0 314.389 3.367 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000420277719 433145460 /nfs/dbraw/zinc/14/54/60/433145460.db2.gz ITVVIDPQZHTUHJ-UWVGGRQHSA-N 1 0 315.320 3.126 20 5 DGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453342662 433104090 /nfs/dbraw/zinc/10/40/90/433104090.db2.gz CZXMKLHDANIXMR-XHSDSOJGSA-N 1 0 306.406 3.456 20 5 DGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453342655 433104367 /nfs/dbraw/zinc/10/43/67/433104367.db2.gz CZXMKLHDANIXMR-JYJNAYRXSA-N 1 0 306.406 3.456 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000350186899 433108219 /nfs/dbraw/zinc/10/82/19/433108219.db2.gz SHPRPCOMNJREAN-LBPRGKRZSA-N 1 0 322.409 3.062 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000453353592 433111040 /nfs/dbraw/zinc/11/10/40/433111040.db2.gz QMRRJFHSOSZQEH-SUMWQHHRSA-N 1 0 316.405 3.390 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453355800 433119124 /nfs/dbraw/zinc/11/91/24/433119124.db2.gz IUFLEEBGWLBVED-YOEHRIQHSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@H]1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)C1 ZINC000446854329 433121033 /nfs/dbraw/zinc/12/10/33/433121033.db2.gz WZCVLRUJWAKJEF-GHMZBOCLSA-N 1 0 302.378 3.385 20 5 DGBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C1CC1 ZINC000290749472 433155283 /nfs/dbraw/zinc/15/52/83/433155283.db2.gz INXZIVPRWJEPPZ-MRXNPFEDSA-N 1 0 317.389 3.044 20 5 DGBDRO CCOCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290778541 433161923 /nfs/dbraw/zinc/16/19/23/433161923.db2.gz BZFFKKWXWSROGR-UHFFFAOYSA-N 1 0 307.177 3.418 20 5 DGBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000361470884 433190657 /nfs/dbraw/zinc/19/06/57/433190657.db2.gz PLQQOCMHPGWAAR-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC1(C)C[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000453584889 433217279 /nfs/dbraw/zinc/21/72/79/433217279.db2.gz RBFIKNKQGNBADV-DYLGSBMWSA-N 1 0 304.390 3.403 20 5 DGBDRO C[NH+](C)CC(C)(C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000453601756 433228203 /nfs/dbraw/zinc/22/82/03/433228203.db2.gz VETXGBKWMJPHDL-UHFFFAOYSA-N 1 0 317.389 3.285 20 5 DGBDRO CCCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000298746050 433233537 /nfs/dbraw/zinc/23/35/37/433233537.db2.gz KXAZWZODNZZYIM-UHFFFAOYSA-N 1 0 316.361 3.409 20 5 DGBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582849 433236542 /nfs/dbraw/zinc/23/65/42/433236542.db2.gz AAQCRUMFCXMTEX-UUWFMWQGSA-N 1 0 315.417 3.045 20 5 DGBDRO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000280948958 433238017 /nfs/dbraw/zinc/23/80/17/433238017.db2.gz JJLKYTXSHKPTHB-WFASDCNBSA-N 1 0 300.362 3.093 20 5 DGBDRO CO[C@H](C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000425466646 433251843 /nfs/dbraw/zinc/25/18/43/433251843.db2.gz BDOCTYBLOWPMGH-NVXWUHKLSA-N 1 0 304.390 3.199 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000374733662 433269432 /nfs/dbraw/zinc/26/94/32/433269432.db2.gz GTCNUCXDVSJEPM-QGZVFWFLSA-N 1 0 322.368 3.392 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC2CCCC2)c(Cl)c1 ZINC000337791671 433260898 /nfs/dbraw/zinc/26/08/98/433260898.db2.gz DFUNNYUMNKOASK-CYBMUJFWSA-N 1 0 312.797 3.279 20 5 DGBDRO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[C@H](C)C1 ZINC000361645392 433310652 /nfs/dbraw/zinc/31/06/52/433310652.db2.gz RRCSASNDEMGDIR-DZGCQCFKSA-N 1 0 322.405 3.240 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000414065091 433371249 /nfs/dbraw/zinc/37/12/49/433371249.db2.gz GMQHKOUEGAUQML-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000375325041 433426446 /nfs/dbraw/zinc/42/64/46/433426446.db2.gz CHMATGVJNXTOOM-UHFFFAOYSA-N 1 0 300.362 3.006 20 5 DGBDRO CC[N@H+](CCC1CC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000355037577 433429244 /nfs/dbraw/zinc/42/92/44/433429244.db2.gz QKGZXWNABPPPGR-UHFFFAOYSA-N 1 0 306.362 3.083 20 5 DGBDRO CC1(C)C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000448358958 433394548 /nfs/dbraw/zinc/39/45/48/433394548.db2.gz IXZQLSBAPGLFTP-INIZCTEOSA-N 1 0 316.357 3.058 20 5 DGBDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000421030103 433397339 /nfs/dbraw/zinc/39/73/39/433397339.db2.gz YHDZVXICDJIFDI-HNNXBMFYSA-N 1 0 314.389 3.059 20 5 DGBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301063894 433398516 /nfs/dbraw/zinc/39/85/16/433398516.db2.gz VOQFLLPLSTXJHF-UHFFFAOYSA-N 1 0 317.311 3.146 20 5 DGBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301092563 433409967 /nfs/dbraw/zinc/40/99/67/433409967.db2.gz UCFFBWPPVONDJK-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000301162275 433435363 /nfs/dbraw/zinc/43/53/63/433435363.db2.gz ATEYOAHVMFFGHB-OAHLLOKOSA-N 1 0 318.352 3.152 20 5 DGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](C)OC ZINC000339208532 433435637 /nfs/dbraw/zinc/43/56/37/433435637.db2.gz KFNXDIQNHJGPMU-JTQLQIEISA-N 1 0 320.311 3.470 20 5 DGBDRO Cc1n[nH]cc1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000375373180 433445663 /nfs/dbraw/zinc/44/56/63/433445663.db2.gz JXDFCEMSDQNIQT-UHFFFAOYSA-N 1 0 314.389 3.314 20 5 DGBDRO CC[N@H+](CCC1CC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000355071736 433446362 /nfs/dbraw/zinc/44/63/62/433446362.db2.gz VWKXOJHYIGRNQL-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000301210356 433456359 /nfs/dbraw/zinc/45/63/59/433456359.db2.gz WGELBOHGYVAXEB-STQMWFEESA-N 1 0 306.410 3.078 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]1C ZINC000355106406 433464932 /nfs/dbraw/zinc/46/49/32/433464932.db2.gz MZYTXFBQBBZEEP-NXEZZACHSA-N 1 0 300.305 3.427 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CS1 ZINC000414227050 433471126 /nfs/dbraw/zinc/47/11/26/433471126.db2.gz KIFSESSCXHHVIR-UGFHNGPFSA-N 1 0 306.431 3.400 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000301256361 433472493 /nfs/dbraw/zinc/47/24/93/433472493.db2.gz TXKJMXPVJBDLAB-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[NH+](C)CCc1ccc(Nc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000301260988 433477413 /nfs/dbraw/zinc/47/74/13/433477413.db2.gz FYXHSBSSKVKHAY-UHFFFAOYSA-N 1 0 320.780 3.491 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)nc1 ZINC000301266958 433480558 /nfs/dbraw/zinc/48/05/58/433480558.db2.gz GVNGERZQJXUOFL-OAHLLOKOSA-N 1 0 312.373 3.066 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000301350012 433518921 /nfs/dbraw/zinc/51/89/21/433518921.db2.gz JNNHHAHTZMYGGB-UHFFFAOYSA-N 1 0 311.385 3.225 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000282177000 433521137 /nfs/dbraw/zinc/52/11/37/433521137.db2.gz VMGGQFQQKPITPD-MRXNPFEDSA-N 1 0 304.390 3.342 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000414297818 433525354 /nfs/dbraw/zinc/52/53/54/433525354.db2.gz PTMHNTVMDLCEEW-JLJPHGGASA-N 1 0 308.422 3.301 20 5 DGBDRO CC(C)([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000292193478 433498825 /nfs/dbraw/zinc/49/88/25/433498825.db2.gz RNSPHZNKFYEVAR-MRXNPFEDSA-N 1 0 318.348 3.292 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC[C@H]1F ZINC000414277388 433506432 /nfs/dbraw/zinc/50/64/32/433506432.db2.gz BHCGYXZVNYCMQK-KCPJHIHWSA-N 1 0 323.368 3.182 20 5 DGBDRO CCOc1ccc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc1[N+](=O)[O-] ZINC000339389644 433552986 /nfs/dbraw/zinc/55/29/86/433552986.db2.gz IDTAMOMPGJTJEM-LLVKDONJSA-N 1 0 320.349 3.089 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000339388695 433554144 /nfs/dbraw/zinc/55/41/44/433554144.db2.gz IOEBDHMMCCJGQA-FWWRYZNZSA-N 1 0 302.334 3.194 20 5 DGBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000362158944 433554430 /nfs/dbraw/zinc/55/44/30/433554430.db2.gz AZAUOMFQTGZQJM-LSDHHAIUSA-N 1 0 322.405 3.111 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c(Cl)c1 ZINC000301462423 433563277 /nfs/dbraw/zinc/56/32/77/433563277.db2.gz JLFOYBBAKLKVBN-GFCCVEGCSA-N 1 0 324.812 3.320 20 5 DGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000301490729 433574849 /nfs/dbraw/zinc/57/48/49/433574849.db2.gz AYOAXFIHIVRLCH-UHFFFAOYSA-N 1 0 324.812 3.462 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293145314 433633641 /nfs/dbraw/zinc/63/36/41/433633641.db2.gz BHQSRYRIEMKNLK-ZBFHGGJFSA-N 1 0 314.385 3.191 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000301614658 433637812 /nfs/dbraw/zinc/63/78/12/433637812.db2.gz IHAMYHDKPYAKIM-UKRRQHHQSA-N 1 0 312.373 3.065 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000301614657 433638403 /nfs/dbraw/zinc/63/84/03/433638403.db2.gz IHAMYHDKPYAKIM-HIFRSBDPSA-N 1 0 312.373 3.065 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2ccncn2)CC1 ZINC000414472454 433640870 /nfs/dbraw/zinc/64/08/70/433640870.db2.gz RXPVAYDEWUXIIE-HWKANZROSA-N 1 0 324.384 3.278 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)OC(C)(C)C ZINC000163575220 292869128 /nfs/dbraw/zinc/86/91/28/292869128.db2.gz BQAOBYSMOJERCI-LBPRGKRZSA-N 1 0 308.378 3.286 20 5 DGBDRO CCOc1cc(NC[C@H]2CCCC[N@@H+]2CC)ccc1[N+](=O)[O-] ZINC000301533626 433598403 /nfs/dbraw/zinc/59/84/03/433598403.db2.gz KWWHZNXAPZWQQX-CQSZACIVSA-N 1 0 307.394 3.280 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC000165470254 292879569 /nfs/dbraw/zinc/87/95/69/292879569.db2.gz PTNDLBZNDSIXQO-GFCCVEGCSA-N 1 0 302.296 3.458 20 5 DGBDRO CCOc1cc(NC[C@@H]2CCCC[N@@H+]2CC)ccc1[N+](=O)[O-] ZINC000301533624 433600323 /nfs/dbraw/zinc/60/03/23/433600323.db2.gz KWWHZNXAPZWQQX-AWEZNQCLSA-N 1 0 307.394 3.280 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)cccc1[N+](=O)[O-] ZINC000282426076 433605338 /nfs/dbraw/zinc/60/53/38/433605338.db2.gz MBSWXTXMWGHOAJ-IUODEOHRSA-N 1 0 314.389 3.365 20 5 DGBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000283110220 433664003 /nfs/dbraw/zinc/66/40/03/433664003.db2.gz YAZABZDUXIETTC-KRWDZBQOSA-N 1 0 300.358 3.035 20 5 DGBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414499355 433666521 /nfs/dbraw/zinc/66/65/21/433666521.db2.gz YHOOWANRLGIQBK-AEFFLSMTSA-N 1 0 312.369 3.305 20 5 DGBDRO CO[C@@](C)([C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414499099 433667563 /nfs/dbraw/zinc/66/75/63/433667563.db2.gz JHODXHWOSXNEQR-VOACFVOZSA-N 1 0 304.390 3.401 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000362385000 433679366 /nfs/dbraw/zinc/67/93/66/433679366.db2.gz PVVMJHDJVCKJJJ-HNNXBMFYSA-N 1 0 310.419 3.047 20 5 DGBDRO CC(C)[C@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC12CCOCC2 ZINC000414521691 433689335 /nfs/dbraw/zinc/68/93/35/433689335.db2.gz AMXOABZPFKDMJZ-MRXNPFEDSA-N 1 0 322.380 3.371 20 5 DGBDRO CCOc1cc(N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000356780298 433693731 /nfs/dbraw/zinc/69/37/31/433693731.db2.gz ALVRDGYOPOWAIN-ZFWWWQNUSA-N 1 0 321.421 3.303 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CC2)CC1 ZINC000368423972 293122845 /nfs/dbraw/zinc/12/28/45/293122845.db2.gz GFJWNYLIGJCMAX-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371062609 293197946 /nfs/dbraw/zinc/19/79/46/293197946.db2.gz CMUBSXMTVUOPFQ-CYBMUJFWSA-N 1 0 324.808 3.497 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)ccc1Cl ZINC000374386827 293392507 /nfs/dbraw/zinc/39/25/07/293392507.db2.gz ADLSLJHZOGJAMD-STQMWFEESA-N 1 0 310.781 3.107 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccccc1F ZINC000449061071 433716631 /nfs/dbraw/zinc/71/66/31/433716631.db2.gz UUNOKLSZLAWZDL-CYBMUJFWSA-N 1 0 318.348 3.334 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)C1CCCCC1 ZINC000449207911 433728269 /nfs/dbraw/zinc/72/82/69/433728269.db2.gz RPUXIBZSPYDFLZ-YOEHRIQHSA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@@]1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000374642343 293429046 /nfs/dbraw/zinc/42/90/46/293429046.db2.gz CIAMLUMQXHSYQD-HUUCEWRRSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@H](CCO)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449357259 433739707 /nfs/dbraw/zinc/73/97/07/433739707.db2.gz KRWQINLYCAOSFV-UXLLHSPISA-N 1 0 320.433 3.304 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)C2(OC)CCCC2)cc1[N+](=O)[O-] ZINC000421825149 433747729 /nfs/dbraw/zinc/74/77/29/433747729.db2.gz LWABRUFJYNZHQE-LBPRGKRZSA-N 1 0 308.378 3.041 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000414631202 433755764 /nfs/dbraw/zinc/75/57/64/433755764.db2.gz WLVKMYPJHHCAAI-LBPRGKRZSA-N 1 0 318.377 3.350 20 5 DGBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301870145 433765294 /nfs/dbraw/zinc/76/52/94/433765294.db2.gz PCQYRTXEVQCCSZ-CYBMUJFWSA-N 1 0 314.389 3.409 20 5 DGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccnc1 ZINC000414563307 433725175 /nfs/dbraw/zinc/72/51/75/433725175.db2.gz WFYCPAIOSCAFRH-UHFFFAOYSA-N 1 0 303.337 3.196 20 5 DGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449759299 433773717 /nfs/dbraw/zinc/77/37/17/433773717.db2.gz XQTAQCQCKKFNLZ-YSVLISHTSA-N 1 0 306.406 3.463 20 5 DGBDRO Cc1ccnc(NCc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000301897688 433784650 /nfs/dbraw/zinc/78/46/50/433784650.db2.gz VYZPQZMBZLWYRP-UHFFFAOYSA-N 1 0 318.352 3.111 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000283942915 433801524 /nfs/dbraw/zinc/80/15/24/433801524.db2.gz AFQYUUPECLWHIZ-RDJZCZTQSA-N 1 0 320.389 3.137 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000449789493 433802846 /nfs/dbraw/zinc/80/28/46/433802846.db2.gz ZYSUUTZBLWKVCV-QWSHFYNQSA-N 1 0 317.433 3.413 20 5 DGBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CCC[N@@H+]1C ZINC000343476883 433810846 /nfs/dbraw/zinc/81/08/46/433810846.db2.gz OLJBYVQUZQMJRD-DGCLKSJQSA-N 1 0 300.362 3.038 20 5 DGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000293656572 433821953 /nfs/dbraw/zinc/82/19/53/433821953.db2.gz IFMKYWZUBHPHND-GXTWGEPZSA-N 1 0 321.421 3.106 20 5 DGBDRO CC(=O)c1cc(NCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000339969064 433874645 /nfs/dbraw/zinc/87/46/45/433874645.db2.gz MBQGYNQURJCGOF-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(C[NH3+])CCC1 ZINC000414792814 433838628 /nfs/dbraw/zinc/83/86/28/433838628.db2.gz SOOUFYZWTYDBMW-UHFFFAOYSA-N 1 0 315.373 3.168 20 5 DGBDRO CO[C@@H]1CC[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000302737985 433847712 /nfs/dbraw/zinc/84/77/12/433847712.db2.gz BRGJEMPUEZMNLS-WCQYABFASA-N 1 0 301.346 3.431 20 5 DGBDRO C[C@H]([NH2+]CCSC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284208151 433861049 /nfs/dbraw/zinc/86/10/49/433861049.db2.gz SMCNPZCDVBMICT-ZETCQYMHSA-N 1 0 309.313 3.081 20 5 DGBDRO COc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284244789 433869801 /nfs/dbraw/zinc/86/98/01/433869801.db2.gz VISCIILSZCIZBT-LBPRGKRZSA-N 1 0 315.373 3.345 20 5 DGBDRO CCCC[NH+]1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302873823 433896373 /nfs/dbraw/zinc/89/63/73/433896373.db2.gz DLVDGDHVGSTPFX-UHFFFAOYSA-N 1 0 318.421 3.239 20 5 DGBDRO C[C@H]1[NH2+]CCC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414953851 433935314 /nfs/dbraw/zinc/93/53/14/433935314.db2.gz MDDLFBAPOKXMAR-IUODEOHRSA-N 1 0 315.373 3.085 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000293926228 433926955 /nfs/dbraw/zinc/92/69/55/433926955.db2.gz HBAGSOFXWPBIJL-VBQJREDUSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285396406 433933675 /nfs/dbraw/zinc/93/36/75/433933675.db2.gz WZTZGHZXJTWSEC-CHWSQXEVSA-N 1 0 321.421 3.016 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302850085 433883773 /nfs/dbraw/zinc/88/37/73/433883773.db2.gz PLMNKGBWRIZCFL-CYBMUJFWSA-N 1 0 318.421 3.239 20 5 DGBDRO CC[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000293838088 433886956 /nfs/dbraw/zinc/88/69/56/433886956.db2.gz BTNHPUYKFVBZME-AWEZNQCLSA-N 1 0 321.421 3.067 20 5 DGBDRO CCC[NH2+]CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414865812 433889988 /nfs/dbraw/zinc/88/99/88/433889988.db2.gz FXECAYSCOXULRK-UHFFFAOYSA-N 1 0 319.430 3.413 20 5 DGBDRO CC[C@H]([NH3+])CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414978552 433954798 /nfs/dbraw/zinc/95/47/98/433954798.db2.gz MKAYIGZGVFUTGW-NSHDSACASA-N 1 0 305.403 3.150 20 5 DGBDRO CN1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000436410494 433960906 /nfs/dbraw/zinc/96/09/06/433960906.db2.gz JHIIDNKJTSWEQM-GFCCVEGCSA-N 1 0 317.414 3.055 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC(C)(C)CC1 ZINC000303893926 433972172 /nfs/dbraw/zinc/97/21/72/433972172.db2.gz KNSQEFAXYHFDPB-ZDUSSCGKSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414953856 433936809 /nfs/dbraw/zinc/93/68/09/433936809.db2.gz MDDLFBAPOKXMAR-WFASDCNBSA-N 1 0 315.373 3.085 20 5 DGBDRO CCOC1CC2(C1)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000285595734 434009855 /nfs/dbraw/zinc/00/98/55/434009855.db2.gz WIKXSKRLYPIXAF-UHFFFAOYSA-N 1 0 304.390 3.028 20 5 DGBDRO Cc1cc(NCCOC2CCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000391389995 293827588 /nfs/dbraw/zinc/82/75/88/293827588.db2.gz YBRRYTPOHMPVGL-UHFFFAOYSA-N 1 0 315.373 3.244 20 5 DGBDRO CC[C@H](Cc1ccccc1)[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000345958526 434023756 /nfs/dbraw/zinc/02/37/56/434023756.db2.gz PRRKADQLEUWPFK-OAHLLOKOSA-N 1 0 316.405 3.172 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000352298663 434031418 /nfs/dbraw/zinc/03/14/18/434031418.db2.gz ZWXJNPDWGVXBFD-RKVPGOIHSA-N 1 0 317.433 3.432 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000305130476 434047185 /nfs/dbraw/zinc/04/71/85/434047185.db2.gz DZJLENIROAZBAD-MEQKGCOVSA-N 1 0 324.380 3.032 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2NC1CC[NH+](C2CC2)CC1 ZINC000450229213 434043826 /nfs/dbraw/zinc/04/38/26/434043826.db2.gz CLJOCEYOLVOKNN-UHFFFAOYSA-N 1 0 312.373 3.182 20 5 DGBDRO COc1cc(N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000363451624 434062753 /nfs/dbraw/zinc/06/27/53/434062753.db2.gz ZTBCRINTRBQVJY-OAHLLOKOSA-N 1 0 313.357 3.202 20 5 DGBDRO CC[NH2+][C@H](C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414954759 293893410 /nfs/dbraw/zinc/89/34/10/293893410.db2.gz KTNNQCCQAREWJN-GFCCVEGCSA-N 1 0 319.430 3.411 20 5 DGBDRO CC[N@H+](CCNc1nccc2c1cccc2[N+](=O)[O-])C(C)C ZINC000450306891 434094409 /nfs/dbraw/zinc/09/44/09/434094409.db2.gz UXAGRXWSEVJJOM-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)[NH+]1CCCC1 ZINC000450243369 434051638 /nfs/dbraw/zinc/05/16/38/434051638.db2.gz NAZJIEFGXJYCGM-OAHLLOKOSA-N 1 0 321.425 3.006 20 5 DGBDRO Cc1ccc(-c2noc(-c3ccc4c[nH+]cn4c3)n2)cc1[N+](=O)[O-] ZINC000346005823 434056354 /nfs/dbraw/zinc/05/63/54/434056354.db2.gz ZGTDIGXIHFLWGS-UHFFFAOYSA-N 1 0 321.296 3.268 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000378267390 434125411 /nfs/dbraw/zinc/12/54/11/434125411.db2.gz CPKDEFIJKRYSGD-ACJLOTCBSA-N 1 0 311.385 3.432 20 5 DGBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000499254623 294082519 /nfs/dbraw/zinc/08/25/19/294082519.db2.gz VCENHPIBUAYELZ-RHSMWYFYSA-N 1 0 320.389 3.115 20 5 DGBDRO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000499537080 294087400 /nfs/dbraw/zinc/08/74/00/294087400.db2.gz HLJSACTVYVQROX-UONOGXRCSA-N 1 0 306.410 3.158 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000502853526 294177441 /nfs/dbraw/zinc/17/74/41/294177441.db2.gz AMYVLULKLITQRM-JSGCOSHPSA-N 1 0 305.378 3.010 20 5 DGBDRO CC(C)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000507312408 294293972 /nfs/dbraw/zinc/29/39/72/294293972.db2.gz AJRHCAYAEPSOOZ-UHFFFAOYSA-N 1 0 300.358 3.499 20 5 DGBDRO CCC(C)(C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000510259865 294379007 /nfs/dbraw/zinc/37/90/07/294379007.db2.gz KQWZGIDTXSEMGU-UHFFFAOYSA-N 1 0 313.785 3.307 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC1CCCC1 ZINC000511009007 294398165 /nfs/dbraw/zinc/39/81/65/294398165.db2.gz BIVFBTLBGXLMCI-WMLDXEAASA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@H]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000450377149 434140078 /nfs/dbraw/zinc/14/00/78/434140078.db2.gz KOCNMBPNOVBGHJ-RYUDHWBXSA-N 1 0 312.373 3.180 20 5 DGBDRO CN(C(=O)C[N@@H+]1CCCC(C)(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000357777223 434171913 /nfs/dbraw/zinc/17/19/13/434171913.db2.gz YPBYMKLZBYLIHO-UHFFFAOYSA-N 1 0 319.405 3.070 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnn2ccccc12 ZINC000512868981 294454653 /nfs/dbraw/zinc/45/46/53/294454653.db2.gz LLJFVMBBIYIUAS-ZROIWOOFSA-N 1 0 322.368 3.436 20 5 DGBDRO CC(C)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363924814 434188817 /nfs/dbraw/zinc/18/88/17/434188817.db2.gz SVOOSLGBIUJELK-CVEARBPZSA-N 1 0 317.433 3.435 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000286188314 434191372 /nfs/dbraw/zinc/19/13/72/434191372.db2.gz DZGXKJLEPYGIPV-UHFFFAOYSA-N 1 0 317.389 3.084 20 5 DGBDRO CCOc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000317108025 434196895 /nfs/dbraw/zinc/19/68/95/434196895.db2.gz BXXCWDJNEDQLMR-KGLIPLIRSA-N 1 0 305.378 3.032 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)C2CC2)s1 ZINC000357763226 434168059 /nfs/dbraw/zinc/16/80/59/434168059.db2.gz NZFQXJZFXCIBRP-OAHLLOKOSA-N 1 0 318.398 3.184 20 5 DGBDRO Cc1ccc(C(C)(C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000353583228 434248085 /nfs/dbraw/zinc/24/80/85/434248085.db2.gz WSZWUJQMMUDINV-UHFFFAOYSA-N 1 0 315.373 3.202 20 5 DGBDRO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000450542507 434252867 /nfs/dbraw/zinc/25/28/67/434252867.db2.gz HSALZNFSXFSBJC-NSHDSACASA-N 1 0 309.797 3.169 20 5 DGBDRO [NH3+]C[C@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000515465315 294561130 /nfs/dbraw/zinc/56/11/30/294561130.db2.gz WBEDXXYTMGSCGM-MRVPVSSYSA-N 1 0 304.177 3.077 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nccs1 ZINC000515866862 294580711 /nfs/dbraw/zinc/58/07/11/294580711.db2.gz DBIBUFLSXAMWPG-ZWNOBZJWSA-N 1 0 303.387 3.432 20 5 DGBDRO O=C(CC[NH2+]CC1=CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000516050769 294586449 /nfs/dbraw/zinc/58/64/49/294586449.db2.gz YZCZSCFJNDIURR-UHFFFAOYSA-N 1 0 303.362 3.013 20 5 DGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000319987242 434234153 /nfs/dbraw/zinc/23/41/53/434234153.db2.gz SPTQEKNBWPCTAT-LBPRGKRZSA-N 1 0 302.378 3.284 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286345849 434239461 /nfs/dbraw/zinc/23/94/61/434239461.db2.gz KORVOBCALPQLNF-ZDUSSCGKSA-N 1 0 306.410 3.244 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000437524040 434279126 /nfs/dbraw/zinc/27/91/26/434279126.db2.gz DIARMBRKVPHWLW-CVEARBPZSA-N 1 0 322.430 3.334 20 5 DGBDRO CC(=O)c1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000295260419 434280221 /nfs/dbraw/zinc/28/02/21/434280221.db2.gz GXXPSRWEMSTSTN-UHFFFAOYSA-N 1 0 312.369 3.472 20 5 DGBDRO CC[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340699904 434307887 /nfs/dbraw/zinc/30/78/87/434307887.db2.gz XJVURQURWFMUSC-LBPRGKRZSA-N 1 0 302.334 3.019 20 5 DGBDRO Cc1ccc([C@@H](C)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000423266084 434322964 /nfs/dbraw/zinc/32/29/64/434322964.db2.gz RUTPLPYMAVPRNA-CJNGLKHVSA-N 1 0 305.422 3.461 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000450670395 434328821 /nfs/dbraw/zinc/32/88/21/434328821.db2.gz DHHJQWIBHIBFGC-DEYYWGMASA-N 1 0 314.385 3.410 20 5 DGBDRO CO[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417350320 434362747 /nfs/dbraw/zinc/36/27/47/434362747.db2.gz PIFUPFSKMVIGML-SJORKVTESA-N 1 0 304.390 3.377 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000348521138 434370901 /nfs/dbraw/zinc/37/09/01/434370901.db2.gz NMJBAUDIGSAWDD-AAEUAGOBSA-N 1 0 300.305 3.153 20 5 DGBDRO CCC([NH3+])(CC)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423286654 434337830 /nfs/dbraw/zinc/33/78/30/434337830.db2.gz HZWWYNDMSLMNBI-HNNXBMFYSA-N 1 0 305.422 3.424 20 5 DGBDRO CCc1ccc([C@@H](NCC(C)(C)[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423283515 434338148 /nfs/dbraw/zinc/33/81/48/434338148.db2.gz FLMOBTSXFNCLLQ-INIZCTEOSA-N 1 0 317.389 3.167 20 5 DGBDRO CC(C)[C@H]([NH3+])CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423282819 434339122 /nfs/dbraw/zinc/33/91/22/434339122.db2.gz WJXPQFPEJDIOSM-QZTJIDSGSA-N 1 0 313.401 3.257 20 5 DGBDRO COc1ccc2c(c1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000340754800 434342195 /nfs/dbraw/zinc/34/21/95/434342195.db2.gz HLVZORVEZCJONI-UHFFFAOYSA-N 1 0 318.398 3.266 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437831645 434347824 /nfs/dbraw/zinc/34/78/24/434347824.db2.gz CGNLIEKTKLBCEB-MRXNPFEDSA-N 1 0 312.369 3.291 20 5 DGBDRO Cc1n[nH]cc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312808 434349610 /nfs/dbraw/zinc/34/96/10/434349610.db2.gz TZDPYPLCEPVPDP-MRXNPFEDSA-N 1 0 300.362 3.184 20 5 DGBDRO C[C@]1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000417309938 434350150 /nfs/dbraw/zinc/35/01/50/434350150.db2.gz JJUZIMLBOYXIPY-IAGOWNOFSA-N 1 0 304.390 3.379 20 5 DGBDRO CN(C)C(C)(C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417300003 434350991 /nfs/dbraw/zinc/35/09/91/434350991.db2.gz OAMWIBWXJOJGEU-MRXNPFEDSA-N 1 0 305.422 3.292 20 5 DGBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317746 434354495 /nfs/dbraw/zinc/35/44/95/434354495.db2.gz XGHOCODTQKOEBY-HFBAOOFYSA-N 1 0 324.446 3.064 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c2cccnc21 ZINC000390312219 434356005 /nfs/dbraw/zinc/35/60/05/434356005.db2.gz GGUDTKFPWHEUSP-GFCCVEGCSA-N 1 0 312.373 3.039 20 5 DGBDRO CC[NH2+][C@H](C)CN[C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000423388654 434395918 /nfs/dbraw/zinc/39/59/18/434395918.db2.gz UKMYIDPWSFNVOD-OLZOCXBDSA-N 1 0 311.451 3.053 20 5 DGBDRO Cc1c([C@@H](C)NC[C@H]2[NH2+]CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000423401282 434405835 /nfs/dbraw/zinc/40/58/35/434405835.db2.gz XNQAMMYPKZEAMU-CZUORRHYSA-N 1 0 305.422 3.332 20 5 DGBDRO CO[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000296022234 434478875 /nfs/dbraw/zinc/47/88/75/434478875.db2.gz NDBNWDZEWPADBZ-AWEZNQCLSA-N 1 0 314.332 3.120 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000366701532 434488248 /nfs/dbraw/zinc/48/82/48/434488248.db2.gz ZEXZJMBHJHBSIT-ACJLOTCBSA-N 1 0 311.385 3.432 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000450862317 434449128 /nfs/dbraw/zinc/44/91/28/434449128.db2.gz QQTXBQAOFKXSIH-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000353817039 434454717 /nfs/dbraw/zinc/45/47/17/434454717.db2.gz GBRUIBYOUVSINY-MMCPSDEHSA-N 1 0 303.406 3.023 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000438336197 434456711 /nfs/dbraw/zinc/45/67/11/434456711.db2.gz TXMXQZCRNHMBBL-MRXNPFEDSA-N 1 0 306.406 3.311 20 5 DGBDRO CCCN1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353970485 434549651 /nfs/dbraw/zinc/54/96/51/434549651.db2.gz FAFTZBQNQIKVBB-AEFFLSMTSA-N 1 0 317.433 3.436 20 5 DGBDRO CC(C)c1ncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000348918080 434554133 /nfs/dbraw/zinc/55/41/33/434554133.db2.gz BJZPPBVMIQDXCV-UHFFFAOYSA-N 1 0 320.418 3.140 20 5 DGBDRO Cc1cnc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000408241118 434554305 /nfs/dbraw/zinc/55/43/05/434554305.db2.gz SQWHBIIZNBAHQX-QLFBSQMISA-N 1 0 318.421 3.140 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525408839 295014417 /nfs/dbraw/zinc/01/44/17/295014417.db2.gz KWNCRKLZTRUXPC-HOTGVXAUSA-N 1 0 306.406 3.273 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000449329904 295019962 /nfs/dbraw/zinc/01/99/62/295019962.db2.gz JXGAOPKJNABQDK-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c(F)c1 ZINC000348953139 434563743 /nfs/dbraw/zinc/56/37/43/434563743.db2.gz XVXIEZZMETWLQI-INIZCTEOSA-N 1 0 308.353 3.125 20 5 DGBDRO COc1cc(C[NH2+]CC2CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000527113559 295078813 /nfs/dbraw/zinc/07/88/13/295078813.db2.gz FKRLGQXPFOOJQV-UHFFFAOYSA-N 1 0 308.378 3.138 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000527360655 295094369 /nfs/dbraw/zinc/09/43/69/295094369.db2.gz SBHCJMXBJNIVRO-KRWDZBQOSA-N 1 0 322.368 3.240 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](c4ccco4)C3)nc2c1 ZINC000360365089 434590739 /nfs/dbraw/zinc/59/07/39/434590739.db2.gz GDWYHAWULFOXSO-LLVKDONJSA-N 1 0 313.313 3.319 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000360598138 434645612 /nfs/dbraw/zinc/64/56/12/434645612.db2.gz NZOQQCSGEYNDDJ-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459620353 434636167 /nfs/dbraw/zinc/63/61/67/434636167.db2.gz VXEKUUSRQIMAKT-GUYCJALGSA-N 1 0 319.405 3.116 20 5 DGBDRO CC(C)n1cncc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000424147760 434636843 /nfs/dbraw/zinc/63/68/43/434636843.db2.gz SDSMSZLKFOAIRA-UHFFFAOYSA-N 1 0 302.378 3.397 20 5 DGBDRO CCOc1ccc([C@H](C)N[C@H](C)C[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000349210175 434638876 /nfs/dbraw/zinc/63/88/76/434638876.db2.gz SRJQTOSZIUSKPK-KGLIPLIRSA-N 1 0 323.437 3.374 20 5 DGBDRO CC[C@@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000354072822 434601556 /nfs/dbraw/zinc/60/15/56/434601556.db2.gz KZBXZSWELGASTB-INIZCTEOSA-N 1 0 308.378 3.234 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c([N+](=O)[O-])cc1OC ZINC000424179276 434646604 /nfs/dbraw/zinc/64/66/04/434646604.db2.gz YPXNGMSLDZJGCW-JSGCOSHPSA-N 1 0 320.389 3.138 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)C2CCSCC2)cc1[N+](=O)[O-] ZINC000354212047 434672205 /nfs/dbraw/zinc/67/22/05/434672205.db2.gz OVWGXIRFPSVSFQ-NSHDSACASA-N 1 0 310.419 3.225 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCCCC2)no1 ZINC000424344314 434706940 /nfs/dbraw/zinc/70/69/40/434706940.db2.gz BXSQICAKCWZKGS-UHFFFAOYSA-N 1 0 316.361 3.380 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000411147864 434733687 /nfs/dbraw/zinc/73/36/87/434733687.db2.gz JTQXNFKCZMXJMS-UHFFFAOYSA-N 1 0 305.378 3.188 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000360951788 434741836 /nfs/dbraw/zinc/74/18/36/434741836.db2.gz SMWYHVFHRHFOIQ-STQMWFEESA-N 1 0 307.394 3.136 20 5 DGBDRO CCC(CC)(CC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411378374 434770525 /nfs/dbraw/zinc/77/05/25/434770525.db2.gz GKWXJMVXFFIFBD-UHFFFAOYSA-N 1 0 307.394 3.482 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000411306477 434758232 /nfs/dbraw/zinc/75/82/32/434758232.db2.gz GEAWZQCGFUJODQ-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000371878836 434763905 /nfs/dbraw/zinc/76/39/05/434763905.db2.gz WTMPDJOXUSLKCI-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411445371 434781141 /nfs/dbraw/zinc/78/11/41/434781141.db2.gz OSXCWWMAXMPNIA-TZMCWYRMSA-N 1 0 305.378 3.186 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CC(C)(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000412047182 434861374 /nfs/dbraw/zinc/86/13/74/434861374.db2.gz SGEJNDQIPHZORS-LBPRGKRZSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)C[C@H]1C ZINC000412048939 434862270 /nfs/dbraw/zinc/86/22/70/434862270.db2.gz VNZOLEWWHPSHPM-CYBMUJFWSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411637288 434811565 /nfs/dbraw/zinc/81/15/65/434811565.db2.gz CPAZQQLXZKEDAL-DOMZBBRYSA-N 1 0 305.378 3.092 20 5 DGBDRO Cc1c(-c2noc(C[N@H+]3[C@H](C)CC[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000453264730 434844284 /nfs/dbraw/zinc/84/42/84/434844284.db2.gz VTBXTICBTGGSPI-PHIMTYICSA-N 1 0 316.361 3.326 20 5 DGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000412018367 434854992 /nfs/dbraw/zinc/85/49/92/434854992.db2.gz BGLCQHUJROQJTC-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412041445 434859733 /nfs/dbraw/zinc/85/97/33/434859733.db2.gz LIJNQRSDDUEJHY-NWDGAFQWSA-N 1 0 305.378 3.042 20 5 DGBDRO Cc1cc(N(C)[C@H](C)C2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461960328 434894301 /nfs/dbraw/zinc/89/43/01/434894301.db2.gz UFMSGDSSFABERB-GFCCVEGCSA-N 1 0 309.385 3.209 20 5 DGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)(C)C ZINC000463369460 434955154 /nfs/dbraw/zinc/95/51/54/434955154.db2.gz SDVCPMUQWLPUTI-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO C[N@H+](CCOc1ccc(F)cc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000523701617 434958548 /nfs/dbraw/zinc/95/85/48/434958548.db2.gz KSPGDBJTPMXYSF-UHFFFAOYSA-N 1 0 318.348 3.287 20 5 DGBDRO O=C(CC[NH2+]CC12CCC(CC1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000573795588 434926079 /nfs/dbraw/zinc/92/60/79/434926079.db2.gz SENVMIQXCQZRCL-UHFFFAOYSA-N 1 0 317.389 3.093 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000465000911 435013122 /nfs/dbraw/zinc/01/31/22/435013122.db2.gz MDLWLDZCDOPVOH-WBVHZDCISA-N 1 0 322.405 3.287 20 5 DGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCC3CCCC3)CC2)c1 ZINC000525121030 435005602 /nfs/dbraw/zinc/00/56/02/435005602.db2.gz MAMSAVVKYRLKPR-UHFFFAOYSA-N 1 0 303.406 3.297 20 5 DGBDRO C[C@H]1CC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C[NH2+]1 ZINC000638644322 435064235 /nfs/dbraw/zinc/06/42/35/435064235.db2.gz PMZWVLMLFCTHJY-DZGCQCFKSA-N 1 0 319.408 3.258 20 5 DGBDRO CC(C)[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000556981298 435041835 /nfs/dbraw/zinc/04/18/35/435041835.db2.gz XHUPNRGCTGSNMH-CTEOGUNLSA-N 1 0 304.390 3.355 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000579345681 435147592 /nfs/dbraw/zinc/14/75/92/435147592.db2.gz LFLVNWWBLVXBON-MGPQQGTHSA-N 1 0 319.405 3.338 20 5 DGBDRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000558718048 435108768 /nfs/dbraw/zinc/10/87/68/435108768.db2.gz GGXCVOCYSXLPIR-CZUORRHYSA-N 1 0 315.373 3.392 20 5 DGBDRO CCN1CCCC[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531714973 435112953 /nfs/dbraw/zinc/11/29/53/435112953.db2.gz IIRNEVBJPFWIBF-ZBFHGGJFSA-N 1 0 305.422 3.428 20 5 DGBDRO C[C@H]([NH3+])c1ccc(OCCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000579227387 435138036 /nfs/dbraw/zinc/13/80/36/435138036.db2.gz FEGUPCWRCAVJPU-LBPRGKRZSA-N 1 0 302.330 3.072 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000560894867 435195236 /nfs/dbraw/zinc/19/52/36/435195236.db2.gz ZNMSQVQSDQXXAA-GFCCVEGCSA-N 1 0 304.321 3.464 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000494450178 435195569 /nfs/dbraw/zinc/19/55/69/435195569.db2.gz CLZPMUDCBOFVTM-AWEZNQCLSA-N 1 0 314.389 3.019 20 5 DGBDRO CCC[NH+]1CCC(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000579971648 435197564 /nfs/dbraw/zinc/19/75/64/435197564.db2.gz GKINFUYQTBJJQU-MRXNPFEDSA-N 1 0 303.406 3.046 20 5 DGBDRO COc1cccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000475498398 435199853 /nfs/dbraw/zinc/19/98/53/435199853.db2.gz OEJHRKIWOONEAV-AWEZNQCLSA-N 1 0 319.405 3.280 20 5 DGBDRO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000532977569 435201971 /nfs/dbraw/zinc/20/19/71/435201971.db2.gz SSFDBNOTHPIQKY-UHFFFAOYSA-N 1 0 311.769 3.061 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000475565339 435202491 /nfs/dbraw/zinc/20/24/91/435202491.db2.gz LPNXOQBPDDBCOW-RDBSUJKOSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000475566201 435202791 /nfs/dbraw/zinc/20/27/91/435202791.db2.gz NXMZFWLNWVDAEU-HZSPNIEDSA-N 1 0 319.405 3.338 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1COCc2ccccc21 ZINC000580216417 435214182 /nfs/dbraw/zinc/21/41/82/435214182.db2.gz XPKZILGLYLXFEL-DLBZAZTESA-N 1 0 310.353 3.443 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1COCc2ccccc21 ZINC000580216420 435214195 /nfs/dbraw/zinc/21/41/95/435214195.db2.gz XPKZILGLYLXFEL-SJORKVTESA-N 1 0 310.353 3.443 20 5 DGBDRO Cc1cc(NC[C@H](C)C(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000475728811 435210707 /nfs/dbraw/zinc/21/07/07/435210707.db2.gz BZRUJWFQKDUFDA-QMMMGPOBSA-N 1 0 313.279 3.484 20 5 DGBDRO CCCCN(C)C[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000561754866 435232103 /nfs/dbraw/zinc/23/21/03/435232103.db2.gz ZHHOFGFJWVGSPZ-WWRUEGTHSA-N 1 0 305.422 3.318 20 5 DGBDRO CCCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000562059293 435251335 /nfs/dbraw/zinc/25/13/35/435251335.db2.gz YSOUFZVRMNBKKG-LBPRGKRZSA-N 1 0 308.378 3.472 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997468 435333442 /nfs/dbraw/zinc/33/34/42/435333442.db2.gz KUQSHNKUPAJWMA-FMKPAKJESA-N 1 0 324.808 3.374 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCN2CC=CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000479513086 435336384 /nfs/dbraw/zinc/33/63/84/435336384.db2.gz LWIBMWXLZYUKGR-KRWDZBQOSA-N 1 0 315.417 3.169 20 5 DGBDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000567790933 435355376 /nfs/dbraw/zinc/35/53/76/435355376.db2.gz BBTPHJBYOBJYTC-ZFWWWQNUSA-N 1 0 317.389 3.188 20 5 DGBDRO Cc1cccc(OCC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511075158 435313626 /nfs/dbraw/zinc/31/36/26/435313626.db2.gz QENYVIKWZXAVTK-UHFFFAOYSA-N 1 0 314.385 3.457 20 5 DGBDRO C[C@](O)(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000513822066 435401850 /nfs/dbraw/zinc/40/18/50/435401850.db2.gz VXVHVXAZEZQCMI-OWQGQXMQSA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000481180930 435412341 /nfs/dbraw/zinc/41/23/41/435412341.db2.gz VGPZCHPJHOBWRM-GOEBONIOSA-N 1 0 314.385 3.097 20 5 DGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000481200462 435414553 /nfs/dbraw/zinc/41/45/53/435414553.db2.gz GRTWGBYRVFPFTE-KGLIPLIRSA-N 1 0 319.405 3.400 20 5 DGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000481200464 435414949 /nfs/dbraw/zinc/41/49/49/435414949.db2.gz GRTWGBYRVFPFTE-ZIAGYGMSSA-N 1 0 319.405 3.400 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000480104806 435367474 /nfs/dbraw/zinc/36/74/74/435367474.db2.gz AYQNHXNBXAMXHL-YPMHNXCESA-N 1 0 305.378 3.082 20 5 DGBDRO CC(C)c1ccc(C[NH+]2CCC(CCO)CC2)cc1[N+](=O)[O-] ZINC000536631890 435395727 /nfs/dbraw/zinc/39/57/27/435395727.db2.gz CWYMMDHXAJCQSB-UHFFFAOYSA-N 1 0 306.406 3.313 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000537466406 435444172 /nfs/dbraw/zinc/44/41/72/435444172.db2.gz CBGIOSLQBDBFSH-SVEBXFOSSA-N 1 0 316.401 3.499 20 5 DGBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000569108702 435504724 /nfs/dbraw/zinc/50/47/24/435504724.db2.gz PUMDCQNTDOUXAB-ZIAGYGMSSA-N 1 0 304.390 3.484 20 5 DGBDRO Cc1nccn1C[C@H](C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538310041 435493127 /nfs/dbraw/zinc/49/31/27/435493127.db2.gz FUPFAERPHOYICV-BRLPQQTGSA-N 1 0 314.389 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCc4ccccc4CC3)nc2c1 ZINC000569670487 435551173 /nfs/dbraw/zinc/55/11/73/435551173.db2.gz LSKLKAOZKXEBIK-UHFFFAOYSA-N 1 0 322.368 3.072 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000539506552 435557188 /nfs/dbraw/zinc/55/71/88/435557188.db2.gz AYLKHRNGOQTETE-BBRMVZONSA-N 1 0 306.406 3.351 20 5 DGBDRO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000516906714 435559649 /nfs/dbraw/zinc/55/96/49/435559649.db2.gz ORFKSYOZVKUGCK-HUUCEWRRSA-N 1 0 318.377 3.009 20 5 DGBDRO CN(CCOc1cccc([N+](=O)[O-])c1)Cc1c(F)cccc1F ZINC000569944774 435575055 /nfs/dbraw/zinc/57/50/55/435575055.db2.gz FVNZLZYQGXBCSY-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000539081288 435537834 /nfs/dbraw/zinc/53/78/34/435537834.db2.gz VFVGWAZNYIXVRM-KRWDZBQOSA-N 1 0 316.332 3.390 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)C1CCCCC1 ZINC000539086731 435538483 /nfs/dbraw/zinc/53/84/83/435538483.db2.gz KIDDOEWAJMVRFO-SUMWQHHRSA-N 1 0 306.406 3.495 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000570366854 435613296 /nfs/dbraw/zinc/61/32/96/435613296.db2.gz ITCSQWDKFMRKFJ-CYBMUJFWSA-N 1 0 322.409 3.145 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570294041 435606667 /nfs/dbraw/zinc/60/66/67/435606667.db2.gz YFOUUNOJWYOQKU-BBRMVZONSA-N 1 0 305.422 3.292 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccno1 ZINC000570929037 435662064 /nfs/dbraw/zinc/66/20/64/435662064.db2.gz ZXCDMGHVLLBVTO-WFASDCNBSA-N 1 0 301.346 3.084 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c(F)c1 ZINC000570981093 435667828 /nfs/dbraw/zinc/66/78/28/435667828.db2.gz DYJUBRWVKWDDIV-CYBMUJFWSA-N 1 0 301.321 3.118 20 5 DGBDRO CS[C@H]1CCCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000548180224 435676399 /nfs/dbraw/zinc/67/63/99/435676399.db2.gz SYDVEZCTLIJFQI-LBPRGKRZSA-N 1 0 320.418 3.189 20 5 DGBDRO CC(C)C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N(C)C ZINC000571225185 435688027 /nfs/dbraw/zinc/68/80/27/435688027.db2.gz VSTZGLRUAQBCOI-CJNGLKHVSA-N 1 0 305.422 3.148 20 5 DGBDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000519709477 435700836 /nfs/dbraw/zinc/70/08/36/435700836.db2.gz RVOKRDQAUGYNOX-UHFFFAOYSA-N 1 0 305.378 3.044 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000520243405 435729874 /nfs/dbraw/zinc/72/98/74/435729874.db2.gz BWZVSNXVIOWUNF-OAHLLOKOSA-N 1 0 318.421 3.446 20 5 DGBDRO C[C@H]1CCCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548763628 435717241 /nfs/dbraw/zinc/71/72/41/435717241.db2.gz RHWOLXCOEDRIGW-UONOGXRCSA-N 1 0 319.405 3.339 20 5 DGBDRO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCC[C@H]21 ZINC000550063517 435791607 /nfs/dbraw/zinc/79/16/07/435791607.db2.gz NRCSGZNHMVGYAB-DOMZBBRYSA-N 1 0 314.389 3.482 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000572855654 435876876 /nfs/dbraw/zinc/87/68/76/435876876.db2.gz HXCOPVBSEBGNNF-PBHICJAKSA-N 1 0 315.417 3.189 20 5 DGBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000572420157 435823541 /nfs/dbraw/zinc/82/35/41/435823541.db2.gz NOILVXFTIOVVMZ-JSGCOSHPSA-N 1 0 315.373 3.166 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160451214 304800008 /nfs/dbraw/zinc/80/00/08/304800008.db2.gz IMWOLGGOLWAJBS-ZDUSSCGKSA-N 1 0 324.812 3.098 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)CCC2 ZINC000377078188 313013687 /nfs/dbraw/zinc/01/36/87/313013687.db2.gz NXWQSMJUUBCDRG-IKGGRYGDSA-N 1 0 302.374 3.129 20 5 DGBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000530443018 313370520 /nfs/dbraw/zinc/37/05/20/313370520.db2.gz KCWVUBCOEUBDTR-KRWDZBQOSA-N 1 0 316.357 3.202 20 5 DGBDRO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000532248892 313532481 /nfs/dbraw/zinc/53/24/81/313532481.db2.gz CZBKFVSXHXFFHF-SUMWQHHRSA-N 1 0 300.358 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)cc1 ZINC000536370166 313758082 /nfs/dbraw/zinc/75/80/82/313758082.db2.gz JTCITBBXJQMOGV-UHFFFAOYSA-N 1 0 312.373 3.066 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000538403645 313861291 /nfs/dbraw/zinc/86/12/91/313861291.db2.gz QKKNMVVCBRPKBF-MAUKXSAKSA-N 1 0 312.369 3.367 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000538408206 313861449 /nfs/dbraw/zinc/86/14/49/313861449.db2.gz CCJFUPZXVCETMB-IRXDYDNUSA-N 1 0 318.417 3.465 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1ccccc1O ZINC000541764640 314037139 /nfs/dbraw/zinc/03/71/39/314037139.db2.gz IVNUMRKGFQJRQF-UHFFFAOYSA-N 1 0 300.358 3.283 20 5 DGBDRO COC(=O)CC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000543709749 314150900 /nfs/dbraw/zinc/15/09/00/314150900.db2.gz RBZTXVWNXPQUAG-UHFFFAOYSA-N 1 0 320.389 3.259 20 5 DGBDRO COc1cccc(N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000547789833 314395697 /nfs/dbraw/zinc/39/56/97/314395697.db2.gz JFKQRKYNDWQGRG-UHFFFAOYSA-N 1 0 321.421 3.160 20 5 DGBDRO CCC(CC)(CCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000548939341 314486713 /nfs/dbraw/zinc/48/67/13/314486713.db2.gz AQEAHUYRHCVSSE-UHFFFAOYSA-N 1 0 300.786 3.279 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000550896188 314545109 /nfs/dbraw/zinc/54/51/09/314545109.db2.gz XISIAXARVKTHSQ-BBRMVZONSA-N 1 0 306.406 3.434 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC1(C)C ZINC000554095376 314665852 /nfs/dbraw/zinc/66/58/52/314665852.db2.gz CXGCUGWVLRSQAH-RISCZKNCSA-N 1 0 305.378 3.090 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](OC)C1CC1 ZINC000556240801 314749862 /nfs/dbraw/zinc/74/98/62/314749862.db2.gz KCTBPRIFJJEJRT-DZGCQCFKSA-N 1 0 324.446 3.480 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000556237944 314749884 /nfs/dbraw/zinc/74/98/84/314749884.db2.gz FTPPUQDCVWLJRC-GJZGRUSLSA-N 1 0 306.406 3.456 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000556237940 314750070 /nfs/dbraw/zinc/75/00/70/314750070.db2.gz FTPPUQDCVWLJRC-CABCVRRESA-N 1 0 306.406 3.456 20 5 DGBDRO CCCc1csc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000559091837 314873778 /nfs/dbraw/zinc/87/37/78/314873778.db2.gz PZISKBQPBPASQJ-UHFFFAOYSA-N 1 0 321.402 3.172 20 5 DGBDRO Cc1ccc2nc(C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])cn2c1 ZINC000561469120 314970317 /nfs/dbraw/zinc/97/03/17/314970317.db2.gz ZPFFHTGOVCJJIS-GQCTYLIASA-N 1 0 322.368 3.354 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1COc2ccccc21 ZINC000563419073 315113561 /nfs/dbraw/zinc/11/35/61/315113561.db2.gz RWCRUZDCGBHBTG-WBMJQRKESA-N 1 0 310.353 3.348 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000564326545 315169936 /nfs/dbraw/zinc/16/99/36/315169936.db2.gz JMASEQRFEIPSSS-DOTOQJQBSA-N 1 0 304.390 3.294 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000564387239 315173252 /nfs/dbraw/zinc/17/32/52/315173252.db2.gz WUMPODSQQOSIJK-GFCCVEGCSA-N 1 0 310.357 3.332 20 5 DGBDRO CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217782 315242618 /nfs/dbraw/zinc/24/26/18/315242618.db2.gz MYKQCROJFPDGQX-XJKSGUPXSA-N 1 0 306.406 3.216 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000566055989 315307896 /nfs/dbraw/zinc/30/78/96/315307896.db2.gz WXPOMGPDFLLQLP-GDLCADMTSA-N 1 0 314.332 3.103 20 5 DGBDRO Cc1noc(C)c1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566688725 315367996 /nfs/dbraw/zinc/36/79/96/315367996.db2.gz JDZMNWVOWKSSPT-OAHLLOKOSA-N 1 0 301.346 3.019 20 5 DGBDRO CC[C@H]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566968606 315386963 /nfs/dbraw/zinc/38/69/63/315386963.db2.gz BEUDCNLBIYBXDT-KBPBESRZSA-N 1 0 319.405 3.339 20 5 DGBDRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000567459441 315422910 /nfs/dbraw/zinc/42/29/10/315422910.db2.gz VVBPHWSSCOFLKM-UPJWGTAASA-N 1 0 319.405 3.336 20 5 DGBDRO CC[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])OC ZINC000568334091 315503089 /nfs/dbraw/zinc/50/30/89/315503089.db2.gz TUODDXKSVPRCPU-BMFZPTHFSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CO1 ZINC000569724323 315599906 /nfs/dbraw/zinc/59/99/06/315599906.db2.gz XRXYIOMTFCFNBV-AAEUAGOBSA-N 1 0 302.330 3.122 20 5 DGBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CO1 ZINC000569724327 315600015 /nfs/dbraw/zinc/60/00/15/315600015.db2.gz XRXYIOMTFCFNBV-WCQYABFASA-N 1 0 302.330 3.122 20 5 DGBDRO CC[C@]1(C(C)C)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571197879 315703766 /nfs/dbraw/zinc/70/37/66/315703766.db2.gz ANEMWGARFHOIKK-NVXWUHKLSA-N 1 0 319.405 3.338 20 5 DGBDRO [NH3+]CCC1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000573972282 315919343 /nfs/dbraw/zinc/91/93/43/315919343.db2.gz IASOKTAIDUSZJL-UHFFFAOYSA-N 1 0 318.204 3.467 20 5 DGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000575881138 316072038 /nfs/dbraw/zinc/07/20/38/316072038.db2.gz HJUCIXQOMTVWTO-JGFGOQIWSA-N 1 0 304.390 3.375 20 5 DGBDRO CN(C)[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000576052121 316089435 /nfs/dbraw/zinc/08/94/35/316089435.db2.gz BLEOCNYDVXPFOA-ZBFHGGJFSA-N 1 0 315.373 3.068 20 5 DGBDRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000576982871 316189040 /nfs/dbraw/zinc/18/90/40/316189040.db2.gz BXVHQXLGEROUJW-RSUWNVLCSA-N 1 0 319.405 3.336 20 5 DGBDRO CCC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000577338365 316225338 /nfs/dbraw/zinc/22/53/38/316225338.db2.gz VCSRCZPBQHDECK-UONOGXRCSA-N 1 0 306.410 3.445 20 5 DGBDRO CC[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000577457163 316236644 /nfs/dbraw/zinc/23/66/44/316236644.db2.gz DIFOVFVMBOFLQM-YJBOKZPZSA-N 1 0 317.433 3.436 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000577551420 316246792 /nfs/dbraw/zinc/24/67/92/316246792.db2.gz RIKMOTDTPSRYEO-LBPRGKRZSA-N 1 0 306.410 3.095 20 5 DGBDRO C[C@H](NCc1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000180436391 323229526 /nfs/dbraw/zinc/22/95/26/323229526.db2.gz RCQQPEYIXZUJHV-LBPRGKRZSA-N 1 0 324.340 3.496 20 5 DGBDRO Cc1csc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])n1 ZINC000184215495 323358716 /nfs/dbraw/zinc/35/87/16/323358716.db2.gz HVSXFDQIIDEFSD-LLVKDONJSA-N 1 0 307.375 3.089 20 5 DGBDRO CO[C@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000384329779 323628236 /nfs/dbraw/zinc/62/82/36/323628236.db2.gz TZUAOMCJHUVEIV-QGZVFWFLSA-N 1 0 300.358 3.246 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000581034909 324066672 /nfs/dbraw/zinc/06/66/72/324066672.db2.gz RVKHEBFLPZIHGE-HUIKVCRJSA-N 1 0 318.417 3.386 20 5 DGBDRO O=C(CC[N@H+](C1CC1)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000581058004 324069025 /nfs/dbraw/zinc/06/90/25/324069025.db2.gz MEILRNXJBMIAAO-UHFFFAOYSA-N 1 0 317.389 3.330 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@H]3C=CCCCCC3)C2)nc1 ZINC000581501638 324124179 /nfs/dbraw/zinc/12/41/79/324124179.db2.gz FPEFJKCZXOLRQP-GJZGRUSLSA-N 1 0 316.405 3.365 20 5 DGBDRO CCOc1cc(Cn2c(C)[nH+]c3c2CCCC3)ccc1[N+](=O)[O-] ZINC000582252952 324208653 /nfs/dbraw/zinc/20/86/53/324208653.db2.gz XHLWDZLCPCJMBK-UHFFFAOYSA-N 1 0 315.373 3.426 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1COc2ccccc2C1 ZINC000582497288 324237996 /nfs/dbraw/zinc/23/79/96/324237996.db2.gz QTSLBJQXDOKUQQ-CZUORRHYSA-N 1 0 310.353 3.175 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)C1CCCCC1 ZINC000582991384 324299134 /nfs/dbraw/zinc/29/91/34/324299134.db2.gz NDKDAUIRFUVOBX-CYBMUJFWSA-N 1 0 319.405 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1Cc3ccccc3C1)CC2 ZINC000584561615 337361343 /nfs/dbraw/zinc/36/13/43/337361343.db2.gz QWELPTXVDIFFRP-UHFFFAOYSA-N 1 0 308.381 3.368 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)C[NH+](C)C ZINC000314039051 534092735 /nfs/dbraw/zinc/09/27/35/534092735.db2.gz RSOYNSGASNTWJM-VIFPVBQESA-N 1 0 305.300 3.223 20 5 DGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000443507649 534109328 /nfs/dbraw/zinc/10/93/28/534109328.db2.gz GVOWQKPBPFEVPC-WCQYABFASA-N 1 0 318.402 3.299 20 5 DGBDRO Cc1ccc([C@H](C)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000171141366 534225826 /nfs/dbraw/zinc/22/58/26/534225826.db2.gz VUFBPXBNKHYFDX-ZFWWWQNUSA-N 1 0 305.422 3.286 20 5 DGBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000293539476 534237696 /nfs/dbraw/zinc/23/76/96/534237696.db2.gz FVDRDIYHZRANJS-ZDUSSCGKSA-N 1 0 300.358 3.064 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443640279 534298641 /nfs/dbraw/zinc/29/86/41/534298641.db2.gz IROBVKULBDRDBT-MGPQQGTHSA-N 1 0 319.405 3.290 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000443637837 534340014 /nfs/dbraw/zinc/34/00/14/534340014.db2.gz CEFSXULYWALEBC-QWHCGFSZSA-N 1 0 319.405 3.210 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000339396909 519369089 /nfs/dbraw/zinc/36/90/89/519369089.db2.gz ZRHUXYUMUZMQJI-NSHDSACASA-N 1 0 310.741 3.344 20 5 DGBDRO COC[C@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000265782841 522845579 /nfs/dbraw/zinc/84/55/79/522845579.db2.gz KVFPDWWCEOVEFB-AWEZNQCLSA-N 1 0 323.392 3.415 20 5 DGBDRO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000148478072 524513016 /nfs/dbraw/zinc/51/30/16/524513016.db2.gz UDXRWCUAPDWAPD-LLVKDONJSA-N 1 0 312.801 3.177 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415091704 534887372 /nfs/dbraw/zinc/88/73/72/534887372.db2.gz ZQEGZPKRYCBUFG-DLBZAZTESA-N 1 0 311.385 3.178 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000433028779 534885955 /nfs/dbraw/zinc/88/59/55/534885955.db2.gz DCDZXILDKKRHRU-CQSZACIVSA-N 1 0 310.781 3.128 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442799475 534887066 /nfs/dbraw/zinc/88/70/66/534887066.db2.gz YMVOTQJXERPUKC-CYBMUJFWSA-N 1 0 307.353 3.333 20 5 DGBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444685895 526673266 /nfs/dbraw/zinc/67/32/66/526673266.db2.gz QGSIWPUCAGVCPL-LLVKDONJSA-N 1 0 302.378 3.339 20 5 DGBDRO CC(C)(C)[C@H](C[NH3+])NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415046097 526697251 /nfs/dbraw/zinc/69/72/51/526697251.db2.gz CNOMYLYEJIDKIA-INIZCTEOSA-N 1 0 317.389 3.318 20 5 DGBDRO CC(C)(CO)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000294836110 527203690 /nfs/dbraw/zinc/20/36/90/527203690.db2.gz QOFLBFBGXREBPC-ZBFHGGJFSA-N 1 0 320.433 3.304 20 5 DGBDRO CC(C)(O)C1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000297348068 527314980 /nfs/dbraw/zinc/31/49/80/527314980.db2.gz GHQIEANYBCRIIF-UHFFFAOYSA-N 1 0 316.357 3.058 20 5 DGBDRO CC(=O)c1ccc(NCCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000413349531 527316909 /nfs/dbraw/zinc/31/69/09/527316909.db2.gz SLGATJRYHHNHQI-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO CC(C)CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413184490 527725330 /nfs/dbraw/zinc/72/53/30/527725330.db2.gz XLYCBCZRAWDVIX-UHFFFAOYSA-N 1 0 324.400 3.299 20 5 DGBDRO CC(C)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000444754622 527778448 /nfs/dbraw/zinc/77/84/48/527778448.db2.gz UTUBBAFEAMVVDP-KBPBESRZSA-N 1 0 319.405 3.290 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429448727 528235980 /nfs/dbraw/zinc/23/59/80/528235980.db2.gz GYDUCEKBJZOIQC-YPMHNXCESA-N 1 0 302.321 3.042 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178095739 528238926 /nfs/dbraw/zinc/23/89/26/528238926.db2.gz QAEJCUIWVZOKKK-DOMZBBRYSA-N 1 0 321.421 3.329 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413063330 528262030 /nfs/dbraw/zinc/26/20/30/528262030.db2.gz APDQFTOCUCGWKM-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413177841 528292003 /nfs/dbraw/zinc/29/20/03/528292003.db2.gz WJXSZQZKSDLYNK-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO CCOc1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433810328 528328766 /nfs/dbraw/zinc/32/87/66/528328766.db2.gz ZPARZDWSGWOILM-OAHLLOKOSA-N 1 0 319.405 3.422 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000305736589 528607314 /nfs/dbraw/zinc/60/73/14/528607314.db2.gz SZYPWTFNHRLCKC-LRDDRELGSA-N 1 0 310.394 3.051 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000305724185 528607477 /nfs/dbraw/zinc/60/74/77/528607477.db2.gz FOQQEHVKNTZPCX-GZBFAFLISA-N 1 0 322.405 3.195 20 5 DGBDRO CCOc1cccc(NC[C@@H]2CCCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000302134853 528673407 /nfs/dbraw/zinc/67/34/07/528673407.db2.gz ZMWWPGHUKUFJST-ZDUSSCGKSA-N 1 0 307.394 3.280 20 5 DGBDRO CCOc1cccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433809731 528674387 /nfs/dbraw/zinc/67/43/87/528674387.db2.gz AZXYATXBFZJHAQ-AWEZNQCLSA-N 1 0 319.405 3.422 20 5 DGBDRO CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000296726911 528785459 /nfs/dbraw/zinc/78/54/59/528785459.db2.gz NOPGYFHPBABEJE-KBPBESRZSA-N 1 0 321.421 3.279 20 5 DGBDRO CCC[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000294673193 528957047 /nfs/dbraw/zinc/95/70/47/528957047.db2.gz APWDHCBCNFNZEZ-LBPRGKRZSA-N 1 0 318.320 3.101 20 5 DGBDRO CCC(O)(CC)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302190390 528976638 /nfs/dbraw/zinc/97/66/38/528976638.db2.gz QTLFWCJGAMBUBL-UHFFFAOYSA-N 1 0 303.362 3.414 20 5 DGBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413184728 529092571 /nfs/dbraw/zinc/09/25/71/529092571.db2.gz KHWLQANZCKARLA-IUODEOHRSA-N 1 0 314.389 3.284 20 5 DGBDRO CCC(O)(CC)CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000472440496 535194590 /nfs/dbraw/zinc/19/45/90/535194590.db2.gz TVGYPERACCLXOF-UHFFFAOYSA-N 1 0 317.389 3.226 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000449543224 535935168 /nfs/dbraw/zinc/93/51/68/535935168.db2.gz NXOPOOCJAJIKPX-LUYZLQTOSA-N 1 0 306.406 3.055 20 5 DGBDRO C[NH+](C)C1CC(NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000670402955 547749797 /nfs/dbraw/zinc/74/97/97/547749797.db2.gz VKNITDLCQXPPMZ-UHFFFAOYSA-N 1 0 319.408 3.210 20 5 DGBDRO CC[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1C)[NH+](CC)CC ZINC000741032236 574525342 /nfs/dbraw/zinc/52/53/42/574525342.db2.gz BNKUTNBTEXJPPT-CQSZACIVSA-N 1 0 308.378 3.067 20 5 DGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccccc1F ZINC000731670372 574554670 /nfs/dbraw/zinc/55/46/70/574554670.db2.gz JCVUGDSQIGFPOT-UHFFFAOYSA-N 1 0 318.348 3.287 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000732918004 574587326 /nfs/dbraw/zinc/58/73/26/574587326.db2.gz YAWUTVRXYBZUDC-BONVTDFDSA-N 1 0 322.311 3.257 20 5 DGBDRO CC(C)[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000741012714 574948314 /nfs/dbraw/zinc/94/83/14/574948314.db2.gz RAULEGMKMGOLIL-INIZCTEOSA-N 1 0 320.389 3.149 20 5 DGBDRO C[C@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+]1C ZINC000742412029 574997695 /nfs/dbraw/zinc/99/76/95/574997695.db2.gz MQOUTGXCWLRTRQ-VHSXEESVSA-N 1 0 306.391 3.099 20 5 DGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000742422994 574999238 /nfs/dbraw/zinc/99/92/38/574999238.db2.gz HAUGLWATQLTIAQ-SFHVURJKSA-N 1 0 311.385 3.306 20 5 DGBDRO CC[N@H+](CCc1ccccn1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000744194330 575077945 /nfs/dbraw/zinc/07/79/45/575077945.db2.gz BIIDIHQEGUXLEE-UHFFFAOYSA-N 1 0 303.337 3.194 20 5 DGBDRO COCC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)C ZINC000746654424 575466881 /nfs/dbraw/zinc/46/68/81/575466881.db2.gz IEKRCRZMULRJRV-UHFFFAOYSA-N 1 0 300.786 3.353 20 5 DGBDRO CC(C)OCCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746676074 575469578 /nfs/dbraw/zinc/46/95/78/575469578.db2.gz ZOFHHXNZXHITAZ-UHFFFAOYSA-N 1 0 300.786 3.495 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000747206200 575505612 /nfs/dbraw/zinc/50/56/12/575505612.db2.gz KOOJDPBGGGMTBV-NSHDSACASA-N 1 0 313.373 3.131 20 5 DGBDRO CC[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000747839802 575545730 /nfs/dbraw/zinc/54/57/30/575545730.db2.gz LKUJMAOAKIQZBC-UHFFFAOYSA-N 1 0 303.337 3.194 20 5 DGBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000749153139 575630475 /nfs/dbraw/zinc/63/04/75/575630475.db2.gz AERHATKKGNUMQM-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO CC[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000749637576 575670516 /nfs/dbraw/zinc/67/05/16/575670516.db2.gz BRWXUURESIORHI-KSSFIOAISA-N 1 0 314.385 3.412 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cc3ccccc3o2)c1 ZINC000749674362 575671758 /nfs/dbraw/zinc/67/17/58/575671758.db2.gz IENVPGWIIXZNLO-INIZCTEOSA-N 1 0 312.325 3.164 20 5 DGBDRO CCc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000749678342 575671917 /nfs/dbraw/zinc/67/19/17/575671917.db2.gz RLGAQSLUUPJQOD-HNNXBMFYSA-N 1 0 306.387 3.042 20 5 DGBDRO Cc1ccc(C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000750039692 575699137 /nfs/dbraw/zinc/69/91/37/575699137.db2.gz IYWMYTYMOMHBJO-KRWDZBQOSA-N 1 0 316.357 3.194 20 5 DGBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000751939481 575813148 /nfs/dbraw/zinc/81/31/48/575813148.db2.gz FTCVXKQYACLUHG-QWHCGFSZSA-N 1 0 300.362 3.146 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCC2CC2)CC2CC2)c1 ZINC000852717086 620642635 /nfs/dbraw/zinc/64/26/35/620642635.db2.gz CUMQGVMFYJFZTH-KRWDZBQOSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1OCc1cccc2c1CC[NH2+]C2 ZINC000853135822 620672751 /nfs/dbraw/zinc/67/27/51/620672751.db2.gz JJSKCKHPMVQFHG-UHFFFAOYSA-N 1 0 318.760 3.473 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000111390682 620705851 /nfs/dbraw/zinc/70/58/51/620705851.db2.gz OJXXEBPGABDFCR-HNNXBMFYSA-N 1 0 312.369 3.423 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000853763503 620734837 /nfs/dbraw/zinc/73/48/37/620734837.db2.gz LISATHOQWQWRIV-JTQLQIEISA-N 1 0 311.357 3.027 20 5 DGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000804813747 617674803 /nfs/dbraw/zinc/67/48/03/617674803.db2.gz TXZDCGVNYODHED-WCQYABFASA-N 1 0 309.797 3.311 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000804834459 617681556 /nfs/dbraw/zinc/68/15/56/617681556.db2.gz FZUAICQQLWSAPJ-NSHDSACASA-N 1 0 311.357 3.029 20 5 DGBDRO C[C@H](OC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1[N+](=O)[O-] ZINC000892608744 618118235 /nfs/dbraw/zinc/11/82/35/618118235.db2.gz IGTHLFQSVBGYMD-ZDUSSCGKSA-N 1 0 318.373 3.075 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892656854 618128331 /nfs/dbraw/zinc/12/83/31/618128331.db2.gz GWCLOYALOBYDRB-INIZCTEOSA-N 1 0 320.776 3.380 20 5 DGBDRO Cc1cc(F)ncc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000894390354 618302853 /nfs/dbraw/zinc/30/28/53/618302853.db2.gz BVYQAXKWOVMRSK-UHFFFAOYSA-N 1 0 303.337 3.112 20 5 DGBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000894480175 618350383 /nfs/dbraw/zinc/35/03/83/618350383.db2.gz MOGGCOSJQIYDOL-QUCGXOGASA-N 1 0 319.188 3.318 20 5 DGBDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000893123878 618435369 /nfs/dbraw/zinc/43/53/69/618435369.db2.gz PHXDBPSRUIURRU-INIZCTEOSA-N 1 0 320.776 3.380 20 5 DGBDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893597374 618613485 /nfs/dbraw/zinc/61/34/85/618613485.db2.gz JQTYSSBYUYXHRI-SECBINFHSA-N 1 0 322.283 3.130 20 5 DGBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000112379539 620821212 /nfs/dbraw/zinc/82/12/12/620821212.db2.gz QUAJSDWRORMLGF-YGRLFVJLSA-N 1 0 300.786 3.135 20 5 DGBDRO CCOc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000894272697 618748076 /nfs/dbraw/zinc/74/80/76/618748076.db2.gz JZNCKLQTPWYIOG-UHFFFAOYSA-N 1 0 304.346 3.261 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2CSC2)o1 ZINC000895422998 618783615 /nfs/dbraw/zinc/78/36/15/618783615.db2.gz SQYMHTYQLAEVCV-UHFFFAOYSA-N 1 0 304.371 3.307 20 5 DGBDRO CC1([NH+]2CCCC2)CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000895526968 618794671 /nfs/dbraw/zinc/79/46/71/618794671.db2.gz ORNMJQPOCZRBAX-UHFFFAOYSA-N 1 0 304.394 3.199 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000895539971 618796602 /nfs/dbraw/zinc/79/66/02/618796602.db2.gz NTIYGQVONOJABC-JLIMDTESSA-N 1 0 319.188 3.416 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC1CCC(C)([NH+]2CCC2)CC1 ZINC000896257585 618892685 /nfs/dbraw/zinc/89/26/85/618892685.db2.gz OUHVNWTVMUPBOT-UHFFFAOYSA-N 1 0 304.394 3.117 20 5 DGBDRO C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000896510407 618919433 /nfs/dbraw/zinc/91/94/33/618919433.db2.gz OHVSRWOBNZSFQA-LLVKDONJSA-N 1 0 300.362 3.057 20 5 DGBDRO CO[C@@H]1CC[C@@H]1N(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000897147386 619022908 /nfs/dbraw/zinc/02/29/08/619022908.db2.gz LMWDGJJVALOCAC-GOEBONIOSA-N 1 0 301.346 3.065 20 5 DGBDRO Cc1c(C[NH2+]CC(C)(C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000897442533 619128796 /nfs/dbraw/zinc/12/87/96/619128796.db2.gz XKZNIQGSENKPKY-UHFFFAOYSA-N 1 0 306.406 3.446 20 5 DGBDRO COc1cncc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000897459151 619129814 /nfs/dbraw/zinc/12/98/14/619129814.db2.gz IPSMBVMHPJTSKT-GFCCVEGCSA-N 1 0 315.373 3.200 20 5 DGBDRO Cc1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cnc1F ZINC000897460505 619130382 /nfs/dbraw/zinc/13/03/82/619130382.db2.gz SYYXSDIABNPCST-GFCCVEGCSA-N 1 0 303.337 3.331 20 5 DGBDRO Cc1ccc2ncc(C[NH2+]C[C@@H](C)c3ccccc3[N+](=O)[O-])n2c1 ZINC000897465994 619130526 /nfs/dbraw/zinc/13/05/26/619130526.db2.gz MCICKYORVFAAGO-CQSZACIVSA-N 1 0 324.384 3.444 20 5 DGBDRO CCCn1nccc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897461714 619130616 /nfs/dbraw/zinc/13/06/16/619130616.db2.gz WBZSKEOQNROAFM-ZDUSSCGKSA-N 1 0 302.378 3.095 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000897465799 619130619 /nfs/dbraw/zinc/13/06/19/619130619.db2.gz IKNNNTQLXSBBQL-CPUCHLNUSA-N 1 0 306.406 3.492 20 5 DGBDRO C[C@H]1CC2(CC([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)CO1 ZINC000897776838 619179536 /nfs/dbraw/zinc/17/95/36/619179536.db2.gz YDKAENUZIVWNFH-AOUUJYHQSA-N 1 0 302.374 3.129 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCOC12CCCC2 ZINC000898113346 619215347 /nfs/dbraw/zinc/21/53/47/619215347.db2.gz XTMCQJSNLFFYHX-BIENSFFJSA-N 1 0 302.374 3.299 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCOC12CCCC2 ZINC000898113347 619215413 /nfs/dbraw/zinc/21/54/13/619215413.db2.gz XTMCQJSNLFFYHX-GMNBZTITSA-N 1 0 302.374 3.299 20 5 DGBDRO Cc1ncccc1CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000898253820 619228825 /nfs/dbraw/zinc/22/88/25/619228825.db2.gz WAMFOEUOAQKYCB-CQSZACIVSA-N 1 0 313.401 3.452 20 5 DGBDRO C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000926964633 619253850 /nfs/dbraw/zinc/25/38/50/619253850.db2.gz SSCPNHPHSBIMOC-GXFFZTMASA-N 1 0 319.327 3.128 20 5 DGBDRO C[C@@H](NCC1([NH3+])CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000902414839 619638052 /nfs/dbraw/zinc/63/80/52/619638052.db2.gz DJXTYRJEAVHOKE-LLVKDONJSA-N 1 0 317.414 3.465 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000902766659 619672952 /nfs/dbraw/zinc/67/29/52/619672952.db2.gz PDXXISAXMSYQJC-QVILVFIQSA-N 1 0 302.374 3.059 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cc1 ZINC000903056605 619707382 /nfs/dbraw/zinc/70/73/82/619707382.db2.gz WHTJWZQESLPCTJ-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cccnc2)cc([N+](=O)[O-])c1 ZINC000903058816 619707772 /nfs/dbraw/zinc/70/77/72/619707772.db2.gz UGDNIEVDACUCPE-RYUDHWBXSA-N 1 0 301.346 3.410 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccco2)cc([N+](=O)[O-])c1 ZINC000903061337 619708189 /nfs/dbraw/zinc/70/81/89/619708189.db2.gz DLLCLMCIVLEGAO-VXGBXAGGSA-N 1 0 304.346 3.478 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2csc(C)n2)cc([N+](=O)[O-])c1 ZINC000903066823 619710031 /nfs/dbraw/zinc/71/00/31/619710031.db2.gz LWIDJDLRRUIJSV-JTQLQIEISA-N 1 0 321.402 3.262 20 5 DGBDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C)nc2)cc([N+](=O)[O-])c1 ZINC000903071580 619715543 /nfs/dbraw/zinc/71/55/43/619715543.db2.gz DRFPTJCISVTLHT-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903103814 619717012 /nfs/dbraw/zinc/71/70/12/619717012.db2.gz AIGRCWJYWXUUCY-MBNYWOFBSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)CC(C)(C)OC)cc([N+](=O)[O-])c1 ZINC000903103065 619717229 /nfs/dbraw/zinc/71/72/29/619717229.db2.gz DGFKRLLULCVPEQ-RYUDHWBXSA-N 1 0 310.394 3.458 20 5 DGBDRO COc1cc([C@H](C)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000903106322 619717832 /nfs/dbraw/zinc/71/78/32/619717832.db2.gz HDWZWWUHRBRHCZ-AEGPPILISA-N 1 0 321.421 3.127 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903097612 619720054 /nfs/dbraw/zinc/72/00/54/619720054.db2.gz GZBSSPHFMFDTPS-RISCZKNCSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903131952 619722489 /nfs/dbraw/zinc/72/24/89/619722489.db2.gz LYOGDMQSXFCLOU-MLGOLLRUSA-N 1 0 322.405 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)CCCO)cc([N+](=O)[O-])c1 ZINC000903112204 619723247 /nfs/dbraw/zinc/72/32/47/619723247.db2.gz FSFZOAVSZBJVCT-LBPRGKRZSA-N 1 0 310.394 3.053 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccccn2)cc([N+](=O)[O-])c1 ZINC000903195750 619734220 /nfs/dbraw/zinc/73/42/20/619734220.db2.gz AAGVCPXSACITGE-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)cc([N+](=O)[O-])c1 ZINC000903200229 619735472 /nfs/dbraw/zinc/73/54/72/619735472.db2.gz MUAXHXPAHCQJJR-NOZJJQNGSA-N 1 0 300.305 3.299 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000903189307 619737359 /nfs/dbraw/zinc/73/73/59/619737359.db2.gz AMLQZZQATCBZEK-UVBJJODRSA-N 1 0 310.394 3.050 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@H](O)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000903214536 619739569 /nfs/dbraw/zinc/73/95/69/619739569.db2.gz VWEIUFPINHDSFJ-SJCJKPOMSA-N 1 0 322.405 3.195 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000903245704 619743527 /nfs/dbraw/zinc/74/35/27/619743527.db2.gz OJXQDAHFQOUBAN-JWZBEHFJSA-N 1 0 318.417 3.492 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000903245705 619743762 /nfs/dbraw/zinc/74/37/62/619743762.db2.gz OJXQDAHFQOUBAN-ODVANORSSA-N 1 0 318.417 3.492 20 5 DGBDRO CC[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903258880 619746440 /nfs/dbraw/zinc/74/64/40/619746440.db2.gz IBJNBUOJYYGARC-HNNXBMFYSA-N 1 0 304.390 3.331 20 5 DGBDRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000903265794 619748913 /nfs/dbraw/zinc/74/89/13/619748913.db2.gz SWRXOGCHELFGSH-HUBLWGQQSA-N 1 0 310.369 3.326 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)c1cccc(CO)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903287007 619754524 /nfs/dbraw/zinc/75/45/24/619754524.db2.gz LUMSDQZODZFUCD-CHWSQXEVSA-N 1 0 300.358 3.499 20 5 DGBDRO C[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000903290240 619755097 /nfs/dbraw/zinc/75/50/97/619755097.db2.gz UIFMGZBMBMEDAQ-PBHICJAKSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000903310984 619757412 /nfs/dbraw/zinc/75/74/12/619757412.db2.gz PQYDXZUKBGOMMR-SJKOYZFVSA-N 1 0 318.348 3.292 20 5 DGBDRO C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903335087 619759525 /nfs/dbraw/zinc/75/95/25/619759525.db2.gz KOTWOLUHTHFGKB-GTNSWQLSSA-N 1 0 312.373 3.374 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(OC(C)C)CCOC2)cccc1[N+](=O)[O-] ZINC000903360359 619765228 /nfs/dbraw/zinc/76/52/28/619765228.db2.gz JNUJEHUIRWVMAJ-YOEHRIQHSA-N 1 0 322.405 3.138 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000903393278 619767151 /nfs/dbraw/zinc/76/71/51/619767151.db2.gz JWIQQEGYECDWIR-HZPDHXFCSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CCO)cc2)cc1[N+](=O)[O-] ZINC000903397705 619769487 /nfs/dbraw/zinc/76/94/87/619769487.db2.gz RLHWSWXSQDXQMW-AWEZNQCLSA-N 1 0 314.385 3.289 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCOC12CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000903389026 619770724 /nfs/dbraw/zinc/77/07/24/619770724.db2.gz OEUUCZWDCNMTPI-BXUZGUMPSA-N 1 0 308.353 3.486 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCOC23CCCC3)cc([N+](=O)[O-])c1 ZINC000903390360 619770897 /nfs/dbraw/zinc/77/08/97/619770897.db2.gz VDFPYIZSNWVDNX-WBMJQRKESA-N 1 0 320.389 3.356 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCOC23CCCC3)cc([N+](=O)[O-])c1 ZINC000903390359 619770966 /nfs/dbraw/zinc/77/09/66/619770966.db2.gz VDFPYIZSNWVDNX-MLGOLLRUSA-N 1 0 320.389 3.356 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)C1CC1 ZINC000903405609 619771438 /nfs/dbraw/zinc/77/14/38/619771438.db2.gz DKBNVZCBZQPLSM-ZFWWWQNUSA-N 1 0 324.446 3.216 20 5 DGBDRO Cc1ncccc1CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000903418685 619773332 /nfs/dbraw/zinc/77/33/32/619773332.db2.gz NOPLJENJMHVKEJ-GFCCVEGCSA-N 1 0 303.337 3.331 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cccnc1C ZINC000903419506 619773537 /nfs/dbraw/zinc/77/35/37/619773537.db2.gz ZVXKJRSVBVKYOK-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000903435372 619775046 /nfs/dbraw/zinc/77/50/46/619775046.db2.gz DFYSNHJKTHPUHF-NILFDRSVSA-N 1 0 320.389 3.069 20 5 DGBDRO CCC[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903438852 619775400 /nfs/dbraw/zinc/77/54/00/619775400.db2.gz YBTWVLHEGRFBQT-ULQDDVLXSA-N 1 0 304.390 3.451 20 5 DGBDRO [NH3+]CC1([C@@H]2CCCCN2Cc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000903815406 619814206 /nfs/dbraw/zinc/81/42/06/619814206.db2.gz QWWXDPUPIUDBJV-INIZCTEOSA-N 1 0 321.396 3.217 20 5 DGBDRO CC(C)(CCc1noc([C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)n1)[N+](=O)[O-] ZINC000904121374 619880537 /nfs/dbraw/zinc/88/05/37/619880537.db2.gz PDIGXYVMXJQKBF-AGIUHOORSA-N 1 0 322.409 3.041 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@H]2CCCC2(F)F)c1 ZINC000905416613 619995938 /nfs/dbraw/zinc/99/59/38/619995938.db2.gz ARCVRQKSQGGVLC-OCCSQVGLSA-N 1 0 314.332 3.043 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@@H]2CCCC2(F)F)cc1 ZINC000905422847 619996402 /nfs/dbraw/zinc/99/64/02/619996402.db2.gz LBHRLGOTBPEUFH-JSGCOSHPSA-N 1 0 314.332 3.043 20 5 DGBDRO O=C(CC[NH2+][C@@H]1CCCC2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000905663259 620014963 /nfs/dbraw/zinc/01/49/63/620014963.db2.gz MZZDAIYQNXYHQQ-CYBMUJFWSA-N 1 0 317.389 3.236 20 5 DGBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000905644887 620016259 /nfs/dbraw/zinc/01/62/59/620016259.db2.gz SXMKQWWWSQUMPU-SJKOYZFVSA-N 1 0 318.348 3.161 20 5 DGBDRO Cc1cnc(Cl)c(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000921722742 620940464 /nfs/dbraw/zinc/94/04/64/620940464.db2.gz XKWDOTKFRUPJPN-UHFFFAOYSA-N 1 0 321.764 3.120 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921792055 620950024 /nfs/dbraw/zinc/95/00/24/620950024.db2.gz RNRCTZYWBUURLT-UHFFFAOYSA-N 1 0 320.780 3.181 20 5 DGBDRO C[C@](O)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000114508184 621008186 /nfs/dbraw/zinc/00/81/86/621008186.db2.gz ROERFWKAGWJLGJ-KOEDOTQGSA-N 1 0 312.369 3.105 20 5 DGBDRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000922537254 621052063 /nfs/dbraw/zinc/05/20/63/621052063.db2.gz CYLNRKYIFGBFHQ-SECBINFHSA-N 1 0 310.304 3.117 20 5 DGBDRO COc1ccc(F)c(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000857082201 621056369 /nfs/dbraw/zinc/05/63/69/621056369.db2.gz UUINMRLDCPBASE-JTQLQIEISA-N 1 0 319.336 3.176 20 5 DGBDRO CO[C@@]1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000922571725 621058478 /nfs/dbraw/zinc/05/84/78/621058478.db2.gz GAQJXYOQMBKMSG-LPDYGMJQSA-N 1 0 322.430 3.110 20 5 DGBDRO CN1CC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000922573505 621058883 /nfs/dbraw/zinc/05/88/83/621058883.db2.gz CWUAIOONMCFLBU-GFCCVEGCSA-N 1 0 317.414 3.117 20 5 DGBDRO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000115512804 621116603 /nfs/dbraw/zinc/11/66/03/621116603.db2.gz BCUWTYPGKNETJA-BLLLJJGKSA-N 1 0 314.389 3.244 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000923027812 621147957 /nfs/dbraw/zinc/14/79/57/621147957.db2.gz OUUUVYGZABAEBW-YERXGYGTSA-N 1 0 302.374 3.299 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858285128 621171478 /nfs/dbraw/zinc/17/14/78/621171478.db2.gz GYPXLGSZMHHHDD-HNNXBMFYSA-N 1 0 323.824 3.355 20 5 DGBDRO C[N@@H+]1CCCC[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000858715664 621215984 /nfs/dbraw/zinc/21/59/84/621215984.db2.gz RBGCHMZFNSEZAT-NSHDSACASA-N 1 0 320.418 3.348 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858780510 621220749 /nfs/dbraw/zinc/22/07/49/621220749.db2.gz CNJWUTDTFBSGRH-HNNXBMFYSA-N 1 0 317.389 3.226 20 5 DGBDRO CC1(C)CCC[C@](CO)([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000859615587 621299297 /nfs/dbraw/zinc/29/92/97/621299297.db2.gz RRUHYCPFLJVUMU-INIZCTEOSA-N 1 0 310.369 3.155 20 5 DGBDRO CCOC(=O)CC(C)(C)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000839076682 621323129 /nfs/dbraw/zinc/32/31/29/621323129.db2.gz ABCUVCQWMRXEFE-UHFFFAOYSA-N 1 0 322.405 3.049 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000754169243 621493717 /nfs/dbraw/zinc/49/37/17/621493717.db2.gz UGPUUNGZAAIWNY-CYBMUJFWSA-N 1 0 314.389 3.215 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000754169245 621493948 /nfs/dbraw/zinc/49/39/48/621493948.db2.gz UGPUUNGZAAIWNY-ZDUSSCGKSA-N 1 0 314.389 3.215 20 5 DGBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000755915797 621602882 /nfs/dbraw/zinc/60/28/82/621602882.db2.gz FSNPFBUXHVYLHP-ZDUSSCGKSA-N 1 0 323.824 3.416 20 5 DGBDRO CC(C)CO[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000119618046 621706692 /nfs/dbraw/zinc/70/66/92/621706692.db2.gz VARKNURIFRJWSH-CQSZACIVSA-N 1 0 312.797 3.495 20 5 DGBDRO CCC[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000757611800 621728383 /nfs/dbraw/zinc/72/83/83/621728383.db2.gz VKYWVEMOKWIPRL-ZDUSSCGKSA-N 1 0 317.393 3.118 20 5 DGBDRO CCC[C@@H]([NH2+]C1COC(C)(C)OC1)c1cccc([N+](=O)[O-])c1 ZINC000757705103 621734505 /nfs/dbraw/zinc/73/45/05/621734505.db2.gz MPAHYZDBVCNMFW-OAHLLOKOSA-N 1 0 308.378 3.177 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000759000721 621817515 /nfs/dbraw/zinc/81/75/15/621817515.db2.gz ROXZEEDBQJWGFA-GFCCVEGCSA-N 1 0 302.378 3.270 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H](c4ccccc4)C3)c2c1 ZINC000120264674 621822642 /nfs/dbraw/zinc/82/26/42/621822642.db2.gz YXOWBHUTCYJMHB-INIZCTEOSA-N 1 0 322.368 3.392 20 5 DGBDRO Cc1ccc(C)c(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000759629381 621877117 /nfs/dbraw/zinc/87/71/17/621877117.db2.gz BDPGBKWLNUOORA-GOSISDBHSA-N 1 0 314.385 3.377 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000759710829 621885111 /nfs/dbraw/zinc/88/51/11/621885111.db2.gz GXNTWONFOYGSJC-ZDUSSCGKSA-N 1 0 318.760 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c(C(F)F)c1 ZINC000865527012 621943766 /nfs/dbraw/zinc/94/37/66/621943766.db2.gz AUOGPKROVZJGIF-LLVKDONJSA-N 1 0 311.332 3.429 20 5 DGBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000760904809 621973301 /nfs/dbraw/zinc/97/33/01/621973301.db2.gz DPPBINZKECVBIM-AWEZNQCLSA-N 1 0 314.769 3.070 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1[N+](=O)[O-] ZINC000865694629 621979224 /nfs/dbraw/zinc/97/92/24/621979224.db2.gz VAWQFJDUOSDBHZ-CSAOUQSSSA-N 1 0 316.401 3.231 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865727601 621984483 /nfs/dbraw/zinc/98/44/83/621984483.db2.gz BXWROKHXNHJLLN-NSHDSACASA-N 1 0 313.348 3.453 20 5 DGBDRO COc1ccc(C[NH2+]C(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000865747730 621987870 /nfs/dbraw/zinc/98/78/70/621987870.db2.gz WDUSFFDCANIDLT-OAHLLOKOSA-N 1 0 308.378 3.041 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000865839296 622004829 /nfs/dbraw/zinc/00/48/29/622004829.db2.gz KFRLYANZWRRHOS-GFCCVEGCSA-N 1 0 302.378 3.303 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865876509 622013653 /nfs/dbraw/zinc/01/36/53/622013653.db2.gz WAYIHQOSVKMDFH-OAHLLOKOSA-N 1 0 312.797 3.279 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000761507818 622013771 /nfs/dbraw/zinc/01/37/71/622013771.db2.gz YBRISPHPDBKFHG-CQSZACIVSA-N 1 0 323.824 3.308 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1Cl ZINC000761526464 622014840 /nfs/dbraw/zinc/01/48/40/622014840.db2.gz DQMNJDKQXLJTOO-GFCCVEGCSA-N 1 0 310.781 3.440 20 5 DGBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761532249 622015234 /nfs/dbraw/zinc/01/52/34/622015234.db2.gz CVUGVBQHQFAKKA-AWEZNQCLSA-N 1 0 314.769 3.070 20 5 DGBDRO CC(C)[NH+]1CCC(CCNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000866086280 622044174 /nfs/dbraw/zinc/04/41/74/622044174.db2.gz UXKJXOYOAZXHDH-UHFFFAOYSA-N 1 0 306.410 3.099 20 5 DGBDRO CN1CC[C@@](O)(C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000762557210 622083529 /nfs/dbraw/zinc/08/35/29/622083529.db2.gz VSPQGVPNTBIXFG-OAQYLSRUSA-N 1 0 320.436 3.149 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1ccncc1 ZINC000866283007 622084676 /nfs/dbraw/zinc/08/46/76/622084676.db2.gz UEGXGYCHWQBMEU-OLZOCXBDSA-N 1 0 317.364 3.453 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000866305286 622089659 /nfs/dbraw/zinc/08/96/59/622089659.db2.gz GCGQYUMQMKFFST-QMTHXVAHSA-N 1 0 318.352 3.055 20 5 DGBDRO Cc1cncc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866313124 622091686 /nfs/dbraw/zinc/09/16/86/622091686.db2.gz WPAIIPZELPOQAA-LBPRGKRZSA-N 1 0 303.337 3.158 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCSC1 ZINC000866355976 622101789 /nfs/dbraw/zinc/10/17/89/622101789.db2.gz HSZOKXBFRMZHNV-VXGBXAGGSA-N 1 0 312.410 3.398 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000866367950 622104590 /nfs/dbraw/zinc/10/45/90/622104590.db2.gz RUPLOPCYRWBNRQ-GYSYKLTISA-N 1 0 318.352 3.157 20 5 DGBDRO Cc1ncsc1CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866367949 622104627 /nfs/dbraw/zinc/10/46/27/622104627.db2.gz RUOOPLBEPVLXHB-SNVBAGLBSA-N 1 0 323.393 3.262 20 5 DGBDRO Cc1cccnc1CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866368124 622104739 /nfs/dbraw/zinc/10/47/39/622104739.db2.gz WTEHEPIJPVRFTL-ZDUSSCGKSA-N 1 0 317.364 3.201 20 5 DGBDRO CCCc1ncc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000866372849 622105742 /nfs/dbraw/zinc/10/57/42/622105742.db2.gz VGWVRUUXLGDSHS-LLVKDONJSA-N 1 0 321.352 3.395 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000866376146 622105990 /nfs/dbraw/zinc/10/59/90/622105990.db2.gz SPSBKDBFIMZNNN-CZXHOFHRSA-N 1 0 310.369 3.068 20 5 DGBDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000866378410 622106544 /nfs/dbraw/zinc/10/65/44/622106544.db2.gz PYFCQDCAIOOPKX-KCPJHIHWSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@H](Cc1ccccn1)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866387024 622108309 /nfs/dbraw/zinc/10/83/09/622108309.db2.gz KIUHZFZUVUYQKL-CHWSQXEVSA-N 1 0 317.364 3.281 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCSC1 ZINC000866401466 622111493 /nfs/dbraw/zinc/11/14/93/622111493.db2.gz AMOZPGHAOISFTI-NWDGAFQWSA-N 1 0 312.410 3.398 20 5 DGBDRO CC(=O)c1c(NC[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000763203330 622129912 /nfs/dbraw/zinc/12/99/12/622129912.db2.gz MXYOAHUKZGGPJW-CYBMUJFWSA-N 1 0 319.405 3.331 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866529655 622132332 /nfs/dbraw/zinc/13/23/32/622132332.db2.gz IANZAAGLLDEHEZ-CJNGLKHVSA-N 1 0 316.401 3.379 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705556 622158789 /nfs/dbraw/zinc/15/87/89/622158789.db2.gz CMBGDASQZFUYAM-GUYCJALGSA-N 1 0 305.422 3.353 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)Cc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000765439778 622265299 /nfs/dbraw/zinc/26/52/99/622265299.db2.gz LIHMIDZNBHTKOI-GUYCJALGSA-N 1 0 314.389 3.447 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000765846801 622290681 /nfs/dbraw/zinc/29/06/81/622290681.db2.gz YMAULTNGCJECKV-IAGOWNOFSA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000767764223 622420669 /nfs/dbraw/zinc/42/06/69/622420669.db2.gz ROGUYNGAFSJERB-INIZCTEOSA-N 1 0 314.389 3.236 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CC(C(F)F)C1 ZINC000769546360 622539598 /nfs/dbraw/zinc/53/95/98/622539598.db2.gz BVBJOUJUQHVVHH-UHFFFAOYSA-N 1 0 304.724 3.424 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC4(CCCC4)C3)nc2c1 ZINC000769727080 622554889 /nfs/dbraw/zinc/55/48/89/622554889.db2.gz CXNSKEADCBTVGO-UHFFFAOYSA-N 1 0 300.362 3.237 20 5 DGBDRO Cc1cc(C)cc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000769844651 622567722 /nfs/dbraw/zinc/56/77/22/622567722.db2.gz BFEUWZAGHWYJSY-SFHVURJKSA-N 1 0 314.385 3.377 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C[NH+](C)C)CC1 ZINC000770084579 622600261 /nfs/dbraw/zinc/60/02/61/622600261.db2.gz VKJARTBJWRAYJW-UHFFFAOYSA-N 1 0 311.813 3.335 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNc1cc(C[NH+](C)C)ccn1 ZINC000871861624 622720838 /nfs/dbraw/zinc/72/08/38/622720838.db2.gz LSIMGYYVHUPXDT-UHFFFAOYSA-N 1 0 314.389 3.280 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021700 622756507 /nfs/dbraw/zinc/75/65/07/622756507.db2.gz SPYLFJSZNPRCST-BONVTDFDSA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@H]([NH2+]CCCCn1ccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872023785 622756960 /nfs/dbraw/zinc/75/69/60/622756960.db2.gz KSUULNXLBMWCJM-LBPRGKRZSA-N 1 0 306.341 3.061 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C1CC1)[NH+](C)C ZINC000872025623 622759283 /nfs/dbraw/zinc/75/92/83/622759283.db2.gz QENHOPVRSHPAJT-NHYWBVRUSA-N 1 0 323.462 3.308 20 5 DGBDRO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025795 622759312 /nfs/dbraw/zinc/75/93/12/622759312.db2.gz TXVSNRWXCLSMBY-GFCCVEGCSA-N 1 0 321.396 3.259 20 5 DGBDRO C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042047 622770333 /nfs/dbraw/zinc/77/03/33/622770333.db2.gz MIJZDQNBAOUOLA-GRYCIOLGSA-N 1 0 307.369 3.010 20 5 DGBDRO Cc1cccc(NCC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872050144 622775370 /nfs/dbraw/zinc/77/53/70/622775370.db2.gz YTMBDIADKYOJRX-LBPRGKRZSA-N 1 0 318.352 3.200 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062183 622783279 /nfs/dbraw/zinc/78/32/79/622783279.db2.gz KGOXSDIMSVJDIC-JVLSTEMRSA-N 1 0 308.353 3.342 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](C)CCO ZINC000872073982 622790005 /nfs/dbraw/zinc/79/00/05/622790005.db2.gz AFOYWQBTDBELOD-RYUDHWBXSA-N 1 0 312.435 3.376 20 5 DGBDRO O=[N+]([O-])c1c(F)nccc1NCCCCC[NH+]1CCCCC1 ZINC000881967064 625597323 /nfs/dbraw/zinc/59/73/23/625597323.db2.gz RGWJSXNZSMHUEC-UHFFFAOYSA-N 1 0 310.373 3.197 20 5 DGBDRO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000872129804 622823668 /nfs/dbraw/zinc/82/36/68/622823668.db2.gz UVPUKLHWLHWOOU-CYBMUJFWSA-N 1 0 303.406 3.120 20 5 DGBDRO COc1cccc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000872129538 622824099 /nfs/dbraw/zinc/82/40/99/622824099.db2.gz KWKIXKHHVXFUJB-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO C[NH2+]C1(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CCCCC1 ZINC000872629951 622945407 /nfs/dbraw/zinc/94/54/07/622945407.db2.gz UYKQCXJSFJJJRO-UHFFFAOYSA-N 1 0 305.378 3.132 20 5 DGBDRO CCc1noc(C)c1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000772978481 622959947 /nfs/dbraw/zinc/95/99/47/622959947.db2.gz NJVHRQDWLOHJIV-NSHDSACASA-N 1 0 319.361 3.183 20 5 DGBDRO Cc1nc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cs1 ZINC000873011018 623016822 /nfs/dbraw/zinc/01/68/22/623016822.db2.gz SSOUQMJECAFBNO-UHFFFAOYSA-N 1 0 305.403 3.309 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000873043928 623024915 /nfs/dbraw/zinc/02/49/15/623024915.db2.gz WUNVYIYOJUJKNU-GFCCVEGCSA-N 1 0 300.358 3.330 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)CCc2cccn2C)cccc1[N+](=O)[O-] ZINC000873063070 623028425 /nfs/dbraw/zinc/02/84/25/623028425.db2.gz IKKMTBCVMPZKPE-ZDUSSCGKSA-N 1 0 301.390 3.353 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)CCc2cccn2C)cccc1[N+](=O)[O-] ZINC000873063069 623029025 /nfs/dbraw/zinc/02/90/25/623029025.db2.gz IKKMTBCVMPZKPE-CYBMUJFWSA-N 1 0 301.390 3.353 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000873069348 623030014 /nfs/dbraw/zinc/03/00/14/623030014.db2.gz DBCUOJYGYBFKLD-SJCJKPOMSA-N 1 0 318.348 3.254 20 5 DGBDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873071384 623030230 /nfs/dbraw/zinc/03/02/30/623030230.db2.gz ICCAXWCODUSWTK-DFFLPILJSA-N 1 0 324.446 3.073 20 5 DGBDRO Cc1ncc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000873089778 623034147 /nfs/dbraw/zinc/03/41/47/623034147.db2.gz HIWXWISEMXAKHX-UHFFFAOYSA-N 1 0 305.403 3.309 20 5 DGBDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873126520 623041860 /nfs/dbraw/zinc/04/18/60/623041860.db2.gz UCIFGBKFCNFSJY-KBXCAEBGSA-N 1 0 314.385 3.423 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873132733 623043781 /nfs/dbraw/zinc/04/37/81/623043781.db2.gz DOCOXELNXHYKPJ-KBXCAEBGSA-N 1 0 314.385 3.289 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC1SCCS1 ZINC000873139116 623047457 /nfs/dbraw/zinc/04/74/57/623047457.db2.gz USDSBGYHRVBSPJ-UHFFFAOYSA-N 1 0 312.460 3.497 20 5 DGBDRO Cc1c(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000873140487 623048068 /nfs/dbraw/zinc/04/80/68/623048068.db2.gz PJSASUXIHYGRSV-DYVFJYSZSA-N 1 0 300.358 3.115 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873148702 623049711 /nfs/dbraw/zinc/04/97/11/623049711.db2.gz GQMJKZFRONSJNV-RDJZCZTQSA-N 1 0 304.390 3.198 20 5 DGBDRO CC(C)c1ccc(CN[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873229475 623082402 /nfs/dbraw/zinc/08/24/02/623082402.db2.gz ADGLZIQHDILHNX-SJORKVTESA-N 1 0 303.406 3.092 20 5 DGBDRO CC(C)c1ccc(CN[C@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873229474 623083255 /nfs/dbraw/zinc/08/32/55/623083255.db2.gz ADGLZIQHDILHNX-IRXDYDNUSA-N 1 0 303.406 3.092 20 5 DGBDRO C[N@H+](CCC1CC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774637768 623168545 /nfs/dbraw/zinc/16/85/45/623168545.db2.gz CYLGAYGWUDKYGG-UHFFFAOYSA-N 1 0 308.769 3.287 20 5 DGBDRO C[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C[C@H]1C ZINC000774636132 623168829 /nfs/dbraw/zinc/16/88/29/623168829.db2.gz MFMRBULTPPLARL-AOOOYVTPSA-N 1 0 308.769 3.143 20 5 DGBDRO CC[N@H+](CC1CC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774634875 623168944 /nfs/dbraw/zinc/16/89/44/623168944.db2.gz GGBZRFWSIHKSOM-UHFFFAOYSA-N 1 0 308.769 3.287 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000124839377 623240845 /nfs/dbraw/zinc/24/08/45/623240845.db2.gz WLXVDPRPVQGWLZ-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@@H](NC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000874625832 623308432 /nfs/dbraw/zinc/30/84/32/623308432.db2.gz XAZXTRYHMRZKBB-AAVRWANBSA-N 1 0 319.405 3.033 20 5 DGBDRO C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273777 623405425 /nfs/dbraw/zinc/40/54/25/623405425.db2.gz AJIJSNIZSJVZFQ-YVEFUNNKSA-N 1 0 318.348 3.460 20 5 DGBDRO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277745 623406008 /nfs/dbraw/zinc/40/60/08/623406008.db2.gz RVLZQWIEMVHTNV-MRXNPFEDSA-N 1 0 322.311 3.038 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000776277249 623406241 /nfs/dbraw/zinc/40/62/41/623406241.db2.gz QDLDEFRSRLHFDZ-ZWKOTPCHSA-N 1 0 312.369 3.465 20 5 DGBDRO C[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582673 623443122 /nfs/dbraw/zinc/44/31/22/623443122.db2.gz SVUMKWATDXOBGN-ACJLOTCBSA-N 1 0 312.369 3.248 20 5 DGBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587484 623444231 /nfs/dbraw/zinc/44/42/31/623444231.db2.gz IBJNYTJLQMATCB-UOJCXKCYSA-N 1 0 304.390 3.281 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3(C4CC4)CC3)CC2)cc1 ZINC000777146127 623500804 /nfs/dbraw/zinc/50/08/04/623500804.db2.gz RDEITFSSKWTLNT-UHFFFAOYSA-N 1 0 301.390 3.096 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](O)c1cccc(F)c1 ZINC000778096060 623611622 /nfs/dbraw/zinc/61/16/22/623611622.db2.gz JAQKMZZLRCWOIS-QLJPJBMISA-N 1 0 322.311 3.085 20 5 DGBDRO CC[C@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000778613788 623676545 /nfs/dbraw/zinc/67/65/45/623676545.db2.gz IYFODXZFRAUBIG-GXTWGEPZSA-N 1 0 308.378 3.319 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000876779650 623703671 /nfs/dbraw/zinc/70/36/71/623703671.db2.gz AWPIIHPIFDLBLG-HUUCEWRRSA-N 1 0 304.390 3.070 20 5 DGBDRO CC(C)[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876907528 623741719 /nfs/dbraw/zinc/74/17/19/623741719.db2.gz FXEBRXPIKIKERU-DQPZFDDXSA-N 1 0 314.389 3.482 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1c(F)cccc1F ZINC000876950565 623752866 /nfs/dbraw/zinc/75/28/66/623752866.db2.gz QAXCUVYBYJGBOA-WHXUTIOJSA-N 1 0 322.315 3.124 20 5 DGBDRO CSc1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000876967766 623756576 /nfs/dbraw/zinc/75/65/76/623756576.db2.gz AUYUNBUVJHOJMQ-UHFFFAOYSA-N 1 0 318.402 3.007 20 5 DGBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](C)c1ccccc1 ZINC000877080703 623786480 /nfs/dbraw/zinc/78/64/80/623786480.db2.gz NCGWPRATTOZGLF-KCNJBTMXSA-N 1 0 314.389 3.277 20 5 DGBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877082823 623786832 /nfs/dbraw/zinc/78/68/32/623786832.db2.gz CYSLCFVGQMVRKB-LFUGVXIPSA-N 1 0 306.410 3.299 20 5 DGBDRO CCCC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000877531215 623928101 /nfs/dbraw/zinc/92/81/01/623928101.db2.gz JXTPQKGVDYOQNO-XUJLQICISA-N 1 0 306.410 3.443 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877590215 623953320 /nfs/dbraw/zinc/95/33/20/623953320.db2.gz UQLSBWACRPRISI-VHMBPLKRSA-N 1 0 306.410 3.299 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@](C)(O)c1ccccc1 ZINC000877610963 623960641 /nfs/dbraw/zinc/96/06/41/623960641.db2.gz UKGXZKZFGLEBKO-KDOFPFPSSA-N 1 0 314.385 3.023 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2C=CCC2)cc1Br ZINC000877623843 623966829 /nfs/dbraw/zinc/96/68/29/623966829.db2.gz BMIWZEMWYWALRF-SSDOTTSWSA-N 1 0 303.181 3.227 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@]12C[C@H]1CCCC2 ZINC000877686318 623992671 /nfs/dbraw/zinc/99/26/71/623992671.db2.gz NOQKEGBEJXNZAE-WXVXMEIJSA-N 1 0 304.394 3.053 20 5 DGBDRO CC(C)(C)c1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000877734469 624008738 /nfs/dbraw/zinc/00/87/38/624008738.db2.gz AAABBECBBQFUBA-UHFFFAOYSA-N 1 0 318.377 3.175 20 5 DGBDRO C[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1C ZINC000129618428 625707461 /nfs/dbraw/zinc/70/74/61/625707461.db2.gz JSXCWANTGLJCAJ-RYUDHWBXSA-N 1 0 323.368 3.040 20 5 DGBDRO CCCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000782478433 624255769 /nfs/dbraw/zinc/25/57/69/624255769.db2.gz OJTIOHAYEIQENY-UHFFFAOYSA-N 1 0 323.368 3.327 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878508868 624293472 /nfs/dbraw/zinc/29/34/72/624293472.db2.gz VEURPGJKDXIJGB-AAEUAGOBSA-N 1 0 316.361 3.313 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878598316 624318767 /nfs/dbraw/zinc/31/87/67/624318767.db2.gz CHMKOSDZACUXSU-YQQAZPJKSA-N 1 0 304.390 3.027 20 5 DGBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC000783202252 624322870 /nfs/dbraw/zinc/32/28/70/624322870.db2.gz CYNAKGMNTIEEAL-UHFFFAOYSA-N 1 0 323.780 3.061 20 5 DGBDRO CC(C)([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000878644023 624329223 /nfs/dbraw/zinc/32/92/23/624329223.db2.gz SMYVZDOWIGZROY-CYBMUJFWSA-N 1 0 304.390 3.379 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000783309415 624337368 /nfs/dbraw/zinc/33/73/68/624337368.db2.gz IQMBWXFDQAOZNO-TZMCWYRMSA-N 1 0 306.362 3.337 20 5 DGBDRO C[C@](CO)([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000783627817 624376661 /nfs/dbraw/zinc/37/66/61/624376661.db2.gz YFWJYQHVMCQMFI-MRXNPFEDSA-N 1 0 320.776 3.246 20 5 DGBDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783638812 624378093 /nfs/dbraw/zinc/37/80/93/624378093.db2.gz OVGGIBGPUNWLJK-HNNXBMFYSA-N 1 0 320.776 3.380 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CCCCC2)cc1Cl ZINC000783639397 624378357 /nfs/dbraw/zinc/37/83/57/624378357.db2.gz VCIWABKAHMLXBZ-UHFFFAOYSA-N 1 0 312.797 3.281 20 5 DGBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO[C@H]1C1CC1 ZINC000783667611 624381430 /nfs/dbraw/zinc/38/14/30/624381430.db2.gz RXGAKBBTRVHZBI-GJZGRUSLSA-N 1 0 310.781 3.295 20 5 DGBDRO CC(C)(C)[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000784037750 624426920 /nfs/dbraw/zinc/42/69/20/624426920.db2.gz ZLQHBGUBXLHQKE-ZDUSSCGKSA-N 1 0 302.378 3.270 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000879242287 624459293 /nfs/dbraw/zinc/45/92/93/624459293.db2.gz YOOSHQRYPANVDM-MSOLQXFVSA-N 1 0 312.369 3.293 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000879417664 624539271 /nfs/dbraw/zinc/53/92/71/624539271.db2.gz FQNCFEMZUVICIL-INMHGKMJSA-N 1 0 304.390 3.029 20 5 DGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000805769033 624585810 /nfs/dbraw/zinc/58/58/10/624585810.db2.gz QYOWUGLRRGEHHV-MLGOLLRUSA-N 1 0 323.824 3.307 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879732241 624656390 /nfs/dbraw/zinc/65/63/90/624656390.db2.gz VVQYOQFAEVLTOQ-MRXNPFEDSA-N 1 0 320.389 3.185 20 5 DGBDRO Cc1nc(F)ccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000785483023 624674794 /nfs/dbraw/zinc/67/47/94/624674794.db2.gz QDPFTWLJJFCUDY-UHFFFAOYSA-N 1 0 303.337 3.462 20 5 DGBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785541727 624684435 /nfs/dbraw/zinc/68/44/35/624684435.db2.gz VXNSKOFDVAMCBF-ZETOZRRWSA-N 1 0 312.797 3.230 20 5 DGBDRO CC(C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000785602954 624696564 /nfs/dbraw/zinc/69/65/64/624696564.db2.gz RRESPXDXHCHBMB-ALCCZGGFSA-N 1 0 304.390 3.403 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000785616871 624702034 /nfs/dbraw/zinc/70/20/34/624702034.db2.gz WKODIPDEIBSBAD-OAHLLOKOSA-N 1 0 324.739 3.211 20 5 DGBDRO Cc1csc([C@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000880013594 624755467 /nfs/dbraw/zinc/75/54/67/624755467.db2.gz SHJWRCIISPAGDS-LBPRGKRZSA-N 1 0 321.377 3.488 20 5 DGBDRO OC[C@H](O)C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000785979629 624773130 /nfs/dbraw/zinc/77/31/30/624773130.db2.gz ACUDHEVKYJJCHM-GFCCVEGCSA-N 1 0 315.800 3.089 20 5 DGBDRO COC(=O)[C@]12CCC[C@H]1[N@@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000880181233 624824345 /nfs/dbraw/zinc/82/43/45/624824345.db2.gz SFGBVMROPTZRDQ-MJEQTWJJSA-N 1 0 318.373 3.073 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000786810779 624955396 /nfs/dbraw/zinc/95/53/96/624955396.db2.gz ANMXQMOUMDYOGI-JZUUQJBKSA-N 1 0 316.357 3.088 20 5 DGBDRO C[C@H]1CCCN1CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788584248 625219752 /nfs/dbraw/zinc/21/97/52/625219752.db2.gz IGFKWCBHFVYCMG-SUMWQHHRSA-N 1 0 317.433 3.391 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@H](CCO)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000788594171 625221910 /nfs/dbraw/zinc/22/19/10/625221910.db2.gz ZWYYZTNNAYOUGY-HZPDHXFCSA-N 1 0 304.390 3.068 20 5 DGBDRO C[C@H]([NH2+]CCOC1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788643904 625235737 /nfs/dbraw/zinc/23/57/37/625235737.db2.gz HPLRGCIXWRTWCD-LBPRGKRZSA-N 1 0 307.394 3.177 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cc[nH]c(=O)c1 ZINC000788668048 625238956 /nfs/dbraw/zinc/23/89/56/625238956.db2.gz WQFZZRYDUXMGLO-CYBMUJFWSA-N 1 0 315.373 3.369 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000791414643 625795886 /nfs/dbraw/zinc/79/58/86/625795886.db2.gz XTECMYXARWPBES-LBPRGKRZSA-N 1 0 311.813 3.416 20 5 DGBDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000130585364 625876957 /nfs/dbraw/zinc/87/69/57/625876957.db2.gz JTARUJWQKVRSCO-HZMBPMFUSA-N 1 0 324.764 3.443 20 5 DGBDRO CC1([NH+]2CCC2)CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000882964462 625877906 /nfs/dbraw/zinc/87/79/06/625877906.db2.gz DYLYIYHLZDQLBT-UHFFFAOYSA-N 1 0 309.797 3.313 20 5 DGBDRO CC(C)c1cnc(CN(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000796110378 626022950 /nfs/dbraw/zinc/02/29/50/626022950.db2.gz CMLQYJBWOWRTLJ-UHFFFAOYSA-N 1 0 303.362 3.381 20 5 DGBDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000796481048 626054904 /nfs/dbraw/zinc/05/49/04/626054904.db2.gz HALUSYXAPPTCLM-SJKOYZFVSA-N 1 0 318.348 3.254 20 5 DGBDRO C[C@@H](CO)[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CCC1 ZINC000796545244 626061292 /nfs/dbraw/zinc/06/12/92/626061292.db2.gz GYTKKNNKABCOCG-NSHDSACASA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CC2CC2)CC2CCC2)cc1 ZINC000796579195 626063587 /nfs/dbraw/zinc/06/35/87/626063587.db2.gz DRVOCEXGFDUAFR-KRWDZBQOSA-N 1 0 304.390 3.140 20 5 DGBDRO C[NH+](C)CC1(Nc2nc3ccc([N+](=O)[O-])cc3s2)CCC1 ZINC000798406886 626216233 /nfs/dbraw/zinc/21/62/33/626216233.db2.gz NYGJTNBJXSTHCG-UHFFFAOYSA-N 1 0 306.391 3.101 20 5 DGBDRO C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000799728046 626324943 /nfs/dbraw/zinc/32/49/43/626324943.db2.gz FAJTYLDZAYZROS-RHSMWYFYSA-N 1 0 314.385 3.239 20 5 DGBDRO Nc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000800871422 626381228 /nfs/dbraw/zinc/38/12/28/626381228.db2.gz UYNMJZQAOCQJSU-OAHLLOKOSA-N 1 0 318.421 3.386 20 5 DGBDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000800897707 626383652 /nfs/dbraw/zinc/38/36/52/626383652.db2.gz MASLYANWJQYDKJ-GOSISDBHSA-N 1 0 314.385 3.343 20 5 DGBDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1OC ZINC000801551321 626409578 /nfs/dbraw/zinc/40/95/78/626409578.db2.gz LHSQXVRGURLZRO-GJZGRUSLSA-N 1 0 310.369 3.417 20 5 DGBDRO CC[C@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000803613894 626624792 /nfs/dbraw/zinc/62/47/92/626624792.db2.gz MFSWVOPHKNTTKA-CYBMUJFWSA-N 1 0 307.394 3.171 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000883277620 626634583 /nfs/dbraw/zinc/63/45/83/626634583.db2.gz BYAFHLKKYLILHY-PBHICJAKSA-N 1 0 318.373 3.080 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000883357418 626659441 /nfs/dbraw/zinc/65/94/41/626659441.db2.gz KVSANBLKPPWBLA-RYUDHWBXSA-N 1 0 308.353 3.486 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883358941 626660419 /nfs/dbraw/zinc/66/04/19/626660419.db2.gz UNCHEXVGSBBTTP-IUODEOHRSA-N 1 0 322.380 3.356 20 5 DGBDRO C[NH+](C)C1(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCCCC1 ZINC000804325396 626669734 /nfs/dbraw/zinc/66/97/34/626669734.db2.gz RBEGXUXIBACKTB-UHFFFAOYSA-N 1 0 322.365 3.179 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCC2(COC2)CC1 ZINC000883391043 626670924 /nfs/dbraw/zinc/67/09/24/626670924.db2.gz AKWLROLGYBLGAH-HWKANZROSA-N 1 0 302.374 3.157 20 5 DGBDRO C[N@H+](CCCNc1ccc(N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000804341799 626671269 /nfs/dbraw/zinc/67/12/69/626671269.db2.gz KYVRFTIROMALKH-UHFFFAOYSA-N 1 0 306.410 3.244 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCCC[C@H]1C ZINC000804352985 626673000 /nfs/dbraw/zinc/67/30/00/626673000.db2.gz UGZOTQVOXZJSSR-GFCCVEGCSA-N 1 0 305.378 3.084 20 5 DGBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000804383268 626675577 /nfs/dbraw/zinc/67/55/77/626675577.db2.gz CMIIYWPPXPJDAY-UHFFFAOYSA-N 1 0 319.405 3.474 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804442793 626680236 /nfs/dbraw/zinc/68/02/36/626680236.db2.gz NUKHTPKIOCBTKR-TXEJJXNPSA-N 1 0 322.365 3.178 20 5 DGBDRO C[C@@H](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000804613678 626697724 /nfs/dbraw/zinc/69/77/24/626697724.db2.gz XGGCREYLPMETPB-LBPRGKRZSA-N 1 0 322.365 3.179 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000807989331 626783151 /nfs/dbraw/zinc/78/31/51/626783151.db2.gz LVQOMPOVFIUGHB-QWHCGFSZSA-N 1 0 305.378 3.082 20 5 DGBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000808443677 626825003 /nfs/dbraw/zinc/82/50/03/626825003.db2.gz ALKHMNZTHPBVHV-MFLFMWSKSA-N 1 0 312.369 3.320 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000809168559 626890012 /nfs/dbraw/zinc/89/00/12/626890012.db2.gz WTQLXVXUDYNNRN-LBPRGKRZSA-N 1 0 324.450 3.002 20 5 DGBDRO Cc1[nH]c(C2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884708317 626932608 /nfs/dbraw/zinc/93/26/08/626932608.db2.gz UVONNIAYFKAFPG-UHFFFAOYSA-N 1 0 318.352 3.458 20 5 DGBDRO [NH3+]CCN(Cc1nccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000809736486 626943521 /nfs/dbraw/zinc/94/35/21/626943521.db2.gz XBWKJBDYZOBLHG-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809735975 626943601 /nfs/dbraw/zinc/94/36/01/626943601.db2.gz YOUJEGUZQVSRGJ-CYBMUJFWSA-N 1 0 311.813 3.068 20 5 DGBDRO [NH3+]CCN(C/C=C/c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734902 626943612 /nfs/dbraw/zinc/94/36/12/626943612.db2.gz NSSLCKUUUPJPHN-OWOJBTEDSA-N 1 0 315.348 3.212 20 5 DGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767511 626949293 /nfs/dbraw/zinc/94/92/93/626949293.db2.gz NDUYGPDBLGRYNB-HIFRSBDPSA-N 1 0 323.824 3.164 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000809787191 626953385 /nfs/dbraw/zinc/95/33/85/626953385.db2.gz VSFLTGZTHYKZDH-MEDUHNTESA-N 1 0 320.776 3.460 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1(CO)CCCC1 ZINC000809964986 626963649 /nfs/dbraw/zinc/96/36/49/626963649.db2.gz XCZQYDUKRROWCZ-UHFFFAOYSA-N 1 0 319.188 3.296 20 5 DGBDRO Cc1ccc(OC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000810534150 627013037 /nfs/dbraw/zinc/01/30/37/627013037.db2.gz HYTPDINHIUCVOC-MRXNPFEDSA-N 1 0 324.352 3.021 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000885968936 627072972 /nfs/dbraw/zinc/07/29/72/627072972.db2.gz FFVRDUWQWFXRAH-ZFWWWQNUSA-N 1 0 308.378 3.041 20 5 DGBDRO COCCN(Cc1cccnc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000885970636 627073789 /nfs/dbraw/zinc/07/37/89/627073789.db2.gz FYYALTCUUFNERY-AWEZNQCLSA-N 1 0 315.373 3.199 20 5 DGBDRO CCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000886018559 627085749 /nfs/dbraw/zinc/08/57/49/627085749.db2.gz CFBQWSOSZSUNPD-RBSFLKMASA-N 1 0 319.405 3.015 20 5 DGBDRO C[C@]12CC[N@H+](Cc3cccnc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000886194042 627119969 /nfs/dbraw/zinc/11/99/69/627119969.db2.gz HSXVQQJWIQCROE-PWSUYJOCSA-N 1 0 316.188 3.006 20 5 DGBDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886200625 627120350 /nfs/dbraw/zinc/12/03/50/627120350.db2.gz UISDXWPCXQHDOR-KBPBESRZSA-N 1 0 307.394 3.063 20 5 DGBDRO CC(C)([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1ccccc1[N+](=O)[O-] ZINC000886215508 627121997 /nfs/dbraw/zinc/12/19/97/627121997.db2.gz LJNPTQMGAHFXNS-XJKSGUPXSA-N 1 0 304.390 3.377 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886289458 627132119 /nfs/dbraw/zinc/13/21/19/627132119.db2.gz WBISTOMBHPMVLO-HNNXBMFYSA-N 1 0 320.389 3.042 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000886320055 627136540 /nfs/dbraw/zinc/13/65/40/627136540.db2.gz ZEBCAHMUBPXPEV-OAHLLOKOSA-N 1 0 319.405 3.019 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000886710816 627196121 /nfs/dbraw/zinc/19/61/21/627196121.db2.gz GTVVGBULAJOUMF-UHFFFAOYSA-N 1 0 317.433 3.088 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000886730933 627198512 /nfs/dbraw/zinc/19/85/12/627198512.db2.gz QMXZUBMMICLQMT-JSGCOSHPSA-N 1 0 319.405 3.177 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3(C4CC4)CCC3)CC2)cc1 ZINC000886825343 627209148 /nfs/dbraw/zinc/20/91/48/627209148.db2.gz QWAVKBHXFHFWFW-UHFFFAOYSA-N 1 0 315.417 3.486 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811520249 627287378 /nfs/dbraw/zinc/28/73/78/627287378.db2.gz MLZWRABNWLZOOL-GFCCVEGCSA-N 1 0 313.829 3.458 20 5 DGBDRO CC1(C2CC2)CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000811784833 627321779 /nfs/dbraw/zinc/32/17/79/627321779.db2.gz LTJOIWJFEJPFKG-UHFFFAOYSA-N 1 0 314.389 3.414 20 5 DGBDRO Cc1cc(F)cc(C(=O)OCC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000840269758 627424787 /nfs/dbraw/zinc/42/47/87/627424787.db2.gz PBQLJIBYTRNUOL-CYBMUJFWSA-N 1 0 324.352 3.074 20 5 DGBDRO C[N@H+](CCCCNc1nc2ccc([N+](=O)[O-])cc2s1)C1CC1 ZINC000840316377 627555041 /nfs/dbraw/zinc/55/50/41/627555041.db2.gz OCXYRLLJJXEJBU-UHFFFAOYSA-N 1 0 320.418 3.491 20 5 DGBDRO C[N@@H+]1CCC[C@]2(CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000814909832 627606313 /nfs/dbraw/zinc/60/63/13/627606313.db2.gz OCFLVISTQRCZSB-HNNXBMFYSA-N 1 0 309.797 3.170 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561214 627684811 /nfs/dbraw/zinc/68/48/11/627684811.db2.gz BAVJSRMSQWMZFC-VIFPVBQESA-N 1 0 306.753 3.076 20 5 DGBDRO C[C@@H]([NH2+]CCc1cc(F)ccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585275 627687696 /nfs/dbraw/zinc/68/76/96/627687696.db2.gz CENJCDJTGKUQSD-SNVBAGLBSA-N 1 0 321.327 3.349 20 5 DGBDRO COC1CCC(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815586499 627688344 /nfs/dbraw/zinc/68/83/44/627688344.db2.gz KEXDLRJNPVYBLC-LKSINWNRSA-N 1 0 307.394 3.033 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815619691 627691705 /nfs/dbraw/zinc/69/17/05/627691705.db2.gz VEPANQGBIILWFB-JTQLQIEISA-N 1 0 321.327 3.349 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)on1 ZINC000925464465 627739378 /nfs/dbraw/zinc/73/93/78/627739378.db2.gz CTVOCKNCFLQYLC-LBPRGKRZSA-N 1 0 319.361 3.265 20 5 DGBDRO Cc1nc2c(o1)CCC[C@H]2[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925640833 627767613 /nfs/dbraw/zinc/76/76/13/627767613.db2.gz JUPKVWLVWJNYMX-CQSZACIVSA-N 1 0 301.346 3.101 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCCC[C@H]2CCCO)cccc1[N+](=O)[O-] ZINC000926273086 627872752 /nfs/dbraw/zinc/87/27/52/627872752.db2.gz ZGFZSTVPQBNWLR-HOCLYGCPSA-N 1 0 306.406 3.324 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2CCCO)cccc1[N+](=O)[O-] ZINC000926273085 627872887 /nfs/dbraw/zinc/87/28/87/627872887.db2.gz ZGFZSTVPQBNWLR-GOEBONIOSA-N 1 0 306.406 3.324 20 5 DGBDRO C[C@@H]1OC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000926303579 627876624 /nfs/dbraw/zinc/87/66/24/627876624.db2.gz NAEUHSSLYSEDSS-ZDMBXUJBSA-N 1 0 318.295 3.127 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000926835715 627962428 /nfs/dbraw/zinc/96/24/28/627962428.db2.gz KHYIOSPHMZUKJH-UKPHBRMFSA-N 1 0 303.406 3.262 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926942193 627986230 /nfs/dbraw/zinc/98/62/30/627986230.db2.gz NBXAMBMRMOOLJZ-CTASWTNQSA-N 1 0 302.374 3.145 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC2CC=CC2)n1 ZINC000926952007 627988511 /nfs/dbraw/zinc/98/85/11/627988511.db2.gz IVTKTBVYADMKQY-HUUCEWRRSA-N 1 0 304.394 3.221 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCS1 ZINC000927025938 627999946 /nfs/dbraw/zinc/99/99/46/627999946.db2.gz DIERZVCPJQIOSW-SYQHCUMBSA-N 1 0 324.450 3.149 20 5 DGBDRO C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000927053205 628002952 /nfs/dbraw/zinc/00/29/52/628002952.db2.gz WFODEVHYCNFMCU-TXFQPVFDSA-N 1 0 324.352 3.067 20 5 DGBDRO CC(C)[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cnn(C)c1 ZINC000927072655 628008059 /nfs/dbraw/zinc/00/80/59/628008059.db2.gz YBPSAZPAFXGRIR-DOTOQJQBSA-N 1 0 314.389 3.303 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@]23C[C@H]2CCC3)n1 ZINC000927121587 628020495 /nfs/dbraw/zinc/02/04/95/628020495.db2.gz MBERBAUHFJNGGG-KQTLUZQSSA-N 1 0 304.394 3.055 20 5 DGBDRO C[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927129999 628022862 /nfs/dbraw/zinc/02/28/62/628022862.db2.gz RIBLXAPAVZZNMZ-JSGCOSHPSA-N 1 0 319.405 3.319 20 5 DGBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000818943154 628064248 /nfs/dbraw/zinc/06/42/48/628064248.db2.gz UZIJOYRDYSIMLL-DYVFJYSZSA-N 1 0 300.358 3.022 20 5 DGBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000818966768 628068951 /nfs/dbraw/zinc/06/89/51/628068951.db2.gz OHHFBCKXNQZOPD-HFBAOOFYSA-N 1 0 316.357 3.134 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000819031345 628080716 /nfs/dbraw/zinc/08/07/16/628080716.db2.gz MFLQFDNJAQKFFA-SJORKVTESA-N 1 0 316.332 3.044 20 5 DGBDRO Cc1cc(C)cc([C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000819111897 628093929 /nfs/dbraw/zinc/09/39/29/628093929.db2.gz YKJNWLRUTKWIBL-GOSISDBHSA-N 1 0 314.385 3.077 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000819333271 628134994 /nfs/dbraw/zinc/13/49/94/628134994.db2.gz IGSNRRAYZYKVSQ-SZMVWBNQSA-N 1 0 312.369 3.022 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)cc1 ZINC000819366232 628141723 /nfs/dbraw/zinc/14/17/23/628141723.db2.gz LQDVUFASYVUVHX-DJIMGWMZSA-N 1 0 304.390 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000819383032 628144861 /nfs/dbraw/zinc/14/48/61/628144861.db2.gz KVBFNAXHILCAKB-LXZKKBNFSA-N 1 0 304.390 3.187 20 5 DGBDRO C[NH+]1CCC2(CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000820581378 628274377 /nfs/dbraw/zinc/27/43/77/628274377.db2.gz RZHGJEIMYCWSNI-UHFFFAOYSA-N 1 0 309.797 3.170 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823591737 628578035 /nfs/dbraw/zinc/57/80/35/628578035.db2.gz MZSZHURAWQWKLO-KBXCAEBGSA-N 1 0 314.385 3.495 20 5 DGBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000823590442 628578065 /nfs/dbraw/zinc/57/80/65/628578065.db2.gz DDDDJTXHNMHUHU-QGZVFWFLSA-N 1 0 318.348 3.073 20 5 DGBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+](C2CC2)C1 ZINC000824446482 628661324 /nfs/dbraw/zinc/66/13/24/628661324.db2.gz XTBBXXIOYNQUOY-GFCCVEGCSA-N 1 0 323.824 3.164 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000824445710 628661563 /nfs/dbraw/zinc/66/15/63/628661563.db2.gz LEAKCAKTMSOEPH-GFCCVEGCSA-N 1 0 323.824 3.164 20 5 DGBDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826790580 628887539 /nfs/dbraw/zinc/88/75/39/628887539.db2.gz KKMVBXWMTDRMEL-LBPRGKRZSA-N 1 0 311.813 3.211 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826868029 628897459 /nfs/dbraw/zinc/89/74/59/628897459.db2.gz OOXCNGNUAIRADE-LBPRGKRZSA-N 1 0 311.813 3.211 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000831359564 629367067 /nfs/dbraw/zinc/36/70/67/629367067.db2.gz XOINPUWBLQOPKL-CABCVRRESA-N 1 0 310.369 3.416 20 5 DGBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000831359565 629367107 /nfs/dbraw/zinc/36/71/07/629367107.db2.gz XOINPUWBLQOPKL-GJZGRUSLSA-N 1 0 310.369 3.416 20 5 DGBDRO C[C@H]([NH2+]CCOCC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834912614 629807576 /nfs/dbraw/zinc/80/75/76/629807576.db2.gz XNFQNUQBWZELRU-LBPRGKRZSA-N 1 0 307.394 3.034 20 5 DGBDRO C[C@H]1C[C@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841004687 630394433 /nfs/dbraw/zinc/39/44/33/630394433.db2.gz XCUPITPEQFECIZ-NWDGAFQWSA-N 1 0 311.813 3.068 20 5 DGBDRO [NH3+]C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000841039466 630400722 /nfs/dbraw/zinc/40/07/22/630400722.db2.gz QCGQIMCENNAQNV-AWEZNQCLSA-N 1 0 311.813 3.245 20 5 DGBDRO C[NH+](C)C1(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000841889490 630473720 /nfs/dbraw/zinc/47/37/20/630473720.db2.gz ARKSISHREHRQJN-UHFFFAOYSA-N 1 0 318.204 3.085 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000842472970 630539723 /nfs/dbraw/zinc/53/97/23/630539723.db2.gz NPRHCIFTZUSAPL-INIZCTEOSA-N 1 0 323.824 3.212 20 5 DGBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000842576894 630548954 /nfs/dbraw/zinc/54/89/54/630548954.db2.gz LFEAACNTTWFNON-SNVBAGLBSA-N 1 0 318.377 3.265 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000843044809 630607463 /nfs/dbraw/zinc/60/74/63/630607463.db2.gz JXTWHELBZXRLBU-WBMJQRKESA-N 1 0 323.824 3.212 20 5 DGBDRO CC(C)[C@@H]([NH3+])c1noc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000843149572 630620325 /nfs/dbraw/zinc/62/03/25/630620325.db2.gz BPIMSHPBRBSKKF-BXKDBHETSA-N 1 0 322.390 3.487 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1ccc(OCC[NH3+])cc1 ZINC000843365979 630650108 /nfs/dbraw/zinc/65/01/08/630650108.db2.gz RHROOZHYVTWVED-CYBMUJFWSA-N 1 0 315.373 3.414 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)CC2(C)C)c1 ZINC000844300040 630716829 /nfs/dbraw/zinc/71/68/29/630716829.db2.gz IZCFLXVGWAGERW-NSHDSACASA-N 1 0 306.362 3.002 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1OCc1ccc2c(c1)C[NH2+]CC2 ZINC000844301071 630717088 /nfs/dbraw/zinc/71/70/88/630717088.db2.gz PWPLZUDCHBTIKK-UHFFFAOYSA-N 1 0 318.760 3.473 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844435543 630729092 /nfs/dbraw/zinc/72/90/92/630729092.db2.gz FCHDDAMFWIUTEC-AWEZNQCLSA-N 1 0 312.316 3.095 20 5 DGBDRO CN(CC[NH+]1CCCCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844464750 630732470 /nfs/dbraw/zinc/73/24/70/630732470.db2.gz RTVQQOLGXRSFRZ-UHFFFAOYSA-N 1 0 311.813 3.166 20 5 DGBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C[NH+]1CCCC1 ZINC000845663410 631186274 /nfs/dbraw/zinc/18/62/74/631186274.db2.gz NXBTUIKYWDGCAR-CMPYXILNSA-N 1 0 318.373 3.026 20 5 DGBDRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)c1 ZINC000846966356 631368198 /nfs/dbraw/zinc/36/81/98/631368198.db2.gz AEOQNGGWLBEAFV-AWEZNQCLSA-N 1 0 315.348 3.427 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848473951 631666387 /nfs/dbraw/zinc/66/63/87/631666387.db2.gz RXJBBBXFQHHSSK-CYBMUJFWSA-N 1 0 300.362 3.148 20 5 DGBDRO CC1(C)CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848479957 631669166 /nfs/dbraw/zinc/66/91/66/631669166.db2.gz DOBVNEAHDSNIPM-UHFFFAOYSA-N 1 0 300.362 3.148 20 5 DGBDRO C[C@@H]1CCCN(C(=[NH2+])NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000849012652 631806993 /nfs/dbraw/zinc/80/69/93/631806993.db2.gz KDIHWHMGUQEAQY-SNVBAGLBSA-N 1 0 310.785 3.004 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850351732 632121910 /nfs/dbraw/zinc/12/19/10/632121910.db2.gz RZAXMQQNTBCPDX-LBPRGKRZSA-N 1 0 311.813 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1COC3(CCC3)C1)CCC2 ZINC000850523221 632178890 /nfs/dbraw/zinc/17/88/90/632178890.db2.gz CTSGTZVYKGYNSV-CZUORRHYSA-N 1 0 302.374 3.273 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000852009376 632538026 /nfs/dbraw/zinc/53/80/26/632538026.db2.gz IEWPODVWAQGMOM-GFCCVEGCSA-N 1 0 301.321 3.118 20 5 DGBDRO Cc1noc(C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000852047326 632544472 /nfs/dbraw/zinc/54/44/72/632544472.db2.gz ZQLAVZZCVCLBTK-FZMZJTMJSA-N 1 0 301.346 3.474 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](C1CC1)C1(CO)CCC1 ZINC000852158073 632564896 /nfs/dbraw/zinc/56/48/96/632564896.db2.gz ARQARMGBVIEWFL-UHFFFAOYSA-N 1 0 310.781 3.128 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792877961 660990997 /nfs/dbraw/zinc/99/09/97/660990997.db2.gz YBCXRTWFVTTWRC-HBYGRHMLSA-N 1 0 307.350 3.417 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000792934168 660995174 /nfs/dbraw/zinc/99/51/74/660995174.db2.gz SXFMXMBEWKVBJS-LJQANCHMSA-N 1 0 324.380 3.418 20 5 DGBDRO Cc1cc(NCc2cccnc2F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000795229980 661134920 /nfs/dbraw/zinc/13/49/20/661134920.db2.gz OJDOMNDZDGRXMB-UHFFFAOYSA-N 1 0 312.304 3.020 20 5 DGBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000932491980 655577518 /nfs/dbraw/zinc/57/75/18/655577518.db2.gz NXMFHTJKKPXRBT-CPCISQLKSA-N 1 0 305.161 3.026 20 5 DGBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000049964288 655628195 /nfs/dbraw/zinc/62/81/95/655628195.db2.gz KHCBOTQZYISXLT-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)c2ccccc2Cl)c1 ZINC000052926343 655847142 /nfs/dbraw/zinc/84/71/42/655847142.db2.gz GABKZODVTNORFO-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563125 661265718 /nfs/dbraw/zinc/26/57/18/661265718.db2.gz KJMQQLJQQFDEHE-LBPRGKRZSA-N 1 0 308.407 3.057 20 5 DGBDRO C[NH+](C)CCSCc1cccc([N+](=O)[O-])c1Br ZINC000234292686 656942607 /nfs/dbraw/zinc/94/26/07/656942607.db2.gz YOILLYKVTLSOQP-UHFFFAOYSA-N 1 0 319.224 3.152 20 5 DGBDRO CC(C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000178868966 657092952 /nfs/dbraw/zinc/09/29/52/657092952.db2.gz YHECZQOEPYOGKP-INIZCTEOSA-N 1 0 318.348 3.292 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(NC[C@H]2[NH2+]CCc3ccccc32)c(F)c1 ZINC000261860231 657144056 /nfs/dbraw/zinc/14/40/56/657144056.db2.gz KJCKMPRCIUEIQH-OAHLLOKOSA-N 1 0 319.311 3.172 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCOc2ccccc2)c1 ZINC000042895122 658802588 /nfs/dbraw/zinc/80/25/88/658802588.db2.gz NWOLYTWHQMJIBJ-UHFFFAOYSA-N 1 0 306.749 3.417 20 5 DGBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172180320 659323152 /nfs/dbraw/zinc/32/31/52/659323152.db2.gz VKKBWRCGBPKTRB-LSDHHAIUSA-N 1 0 312.797 3.374 20 5 DGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000173958275 659406446 /nfs/dbraw/zinc/40/64/46/659406446.db2.gz QFIDZOVAXAOEFM-OAHLLOKOSA-N 1 0 309.385 3.040 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000444797141 659887303 /nfs/dbraw/zinc/88/73/03/659887303.db2.gz CMBNYWOHBYEQGY-ZIAGYGMSSA-N 1 0 314.389 3.269 20 5 DGBDRO O=[N+]([O-])CC[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000930180722 661374507 /nfs/dbraw/zinc/37/45/07/661374507.db2.gz YLWQGPAGFQSHRQ-UHFFFAOYSA-N 1 0 302.296 3.162 20 5 DGBDRO C[C@H]([NH2+]CCOC1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000930235260 661381207 /nfs/dbraw/zinc/38/12/07/661381207.db2.gz KYLPSDJWIDZQGV-LBPRGKRZSA-N 1 0 310.419 3.158 20 5 DGBDRO Cc1nc([C@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)no1 ZINC000931938231 661524415 /nfs/dbraw/zinc/52/44/15/661524415.db2.gz LPDNMCMMGUBBKT-AAEUAGOBSA-N 1 0 316.361 3.145 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932134720 661540587 /nfs/dbraw/zinc/54/05/87/661540587.db2.gz HTVQMUGSAMIKAO-UONOGXRCSA-N 1 0 314.389 3.269 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932134721 661540867 /nfs/dbraw/zinc/54/08/67/661540867.db2.gz HTVQMUGSAMIKAO-ZIAGYGMSSA-N 1 0 314.389 3.269 20 5 DGBDRO Cc1c(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)cccc1[N+](=O)[O-] ZINC000932140207 661541737 /nfs/dbraw/zinc/54/17/37/661541737.db2.gz YKDGLHMJMZJINF-OAHLLOKOSA-N 1 0 314.389 3.016 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1 ZINC000932177463 661544634 /nfs/dbraw/zinc/54/46/34/661544634.db2.gz YFCHYUCOFPIPAP-ICCXJUOJSA-N 1 0 318.295 3.355 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000933879273 661664805 /nfs/dbraw/zinc/66/48/05/661664805.db2.gz PMCGTHQASKXSJU-HNNXBMFYSA-N 1 0 308.353 3.315 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CC[C@H](Cc3nccs3)C2)cs1 ZINC000934335972 661698546 /nfs/dbraw/zinc/69/85/46/661698546.db2.gz VYHJITMZZKUHPG-SNVBAGLBSA-N 1 0 309.416 3.177 20 5 DGBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000934761395 661732850 /nfs/dbraw/zinc/73/28/50/661732850.db2.gz GBIIRFVUWVLHDK-XHSDSOJGSA-N 1 0 304.390 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1F ZINC000934838239 661739813 /nfs/dbraw/zinc/73/98/13/661739813.db2.gz NXSAFSQYEXJNDO-HUUCEWRRSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000934838961 661740052 /nfs/dbraw/zinc/74/00/52/661740052.db2.gz RLWDPDWZCNWKNA-HIFRSBDPSA-N 1 0 322.380 3.373 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000490414776 685263996 /nfs/dbraw/zinc/26/39/96/685263996.db2.gz YWKZSCNNPYEIQL-GFCCVEGCSA-N 1 0 300.362 3.259 20 5 DGBDRO Nc1cccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001580457124 1192028026 /nfs/dbraw/zinc/02/80/26/1192028026.db2.gz KTIWVAXONRFESH-UHFFFAOYSA-N 1 0 305.765 3.163 20 5 DGBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001580765115 1192039647 /nfs/dbraw/zinc/03/96/47/1192039647.db2.gz ATWCILAWIRNBPJ-DZGCQCFKSA-N 1 0 323.780 3.109 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC001580874938 1192043376 /nfs/dbraw/zinc/04/33/76/1192043376.db2.gz PTILCPOJRVQPPE-JSGCOSHPSA-N 1 0 307.369 3.092 20 5 DGBDRO O=[N+]([O-])c1c(N[C@@H]2CCC[NH2+]CC2)cccc1C(F)(F)F ZINC001580874901 1192043527 /nfs/dbraw/zinc/04/35/27/1192043527.db2.gz NYPWSCNBPMXCEI-SECBINFHSA-N 1 0 303.284 3.168 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@H]1CC[NH2+]C12CCC2 ZINC001580874898 1192043536 /nfs/dbraw/zinc/04/35/36/1192043536.db2.gz NUTXGWBBFPESBW-LBPRGKRZSA-N 1 0 315.295 3.310 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001620850905 1192455147 /nfs/dbraw/zinc/45/51/47/1192455147.db2.gz ROMKXBFTTMWCIE-DYVFJYSZSA-N 1 0 317.433 3.291 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC001331347980 1178190717 /nfs/dbraw/zinc/19/07/17/1178190717.db2.gz PJJMSJWCMBWQLU-UHFFFAOYSA-N 1 0 323.393 3.052 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001332280175 1178411192 /nfs/dbraw/zinc/41/11/92/1178411192.db2.gz ZXTAPDFZOBDCDC-OLZOCXBDSA-N 1 0 309.385 3.116 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001332366668 1178429844 /nfs/dbraw/zinc/42/98/44/1178429844.db2.gz ZTMDXFKMYIRBTO-UHFFFAOYSA-N 1 0 313.357 3.075 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001333671524 1178650356 /nfs/dbraw/zinc/65/03/56/1178650356.db2.gz IUKOOUYVWFRCIS-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001334972720 1178836324 /nfs/dbraw/zinc/83/63/24/1178836324.db2.gz JMEILAQTWCQWOF-KGLIPLIRSA-N 1 0 311.813 3.211 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001335858545 1178964604 /nfs/dbraw/zinc/96/46/04/1178964604.db2.gz ZCPICEWJNFWXRS-JGZJWPJOSA-N 1 0 317.311 3.366 20 5 DGBDRO C[C@@H](NC(=O)[C@H]1CCCCCC[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001341740184 1179055221 /nfs/dbraw/zinc/05/52/21/1179055221.db2.gz MSQVVBGGGNVJEH-UHOFOFEASA-N 1 0 319.405 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]c3c(O)cccc13)CC2 ZINC001344427734 1179432191 /nfs/dbraw/zinc/43/21/91/1179432191.db2.gz ODTXHPOZICDLHQ-UHFFFAOYSA-N 1 0 321.336 3.411 20 5 DGBDRO [NH3+]CC[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC001345000335 1179509155 /nfs/dbraw/zinc/50/91/55/1179509155.db2.gz TVXUWQLZECQGLV-CQSZACIVSA-N 1 0 319.408 3.199 20 5 DGBDRO COc1ccc(CNc2ccc3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC001621056290 1192983060 /nfs/dbraw/zinc/98/30/60/1192983060.db2.gz TZMFJAGSMXVXIU-UHFFFAOYSA-N 1 0 313.357 3.489 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001352673889 1180377879 /nfs/dbraw/zinc/37/78/79/1180377879.db2.gz VLNZWFGUTDMBGX-ZDUSSCGKSA-N 1 0 311.769 3.060 20 5 DGBDRO CCNc1ccccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001200126667 1180393336 /nfs/dbraw/zinc/39/33/36/1180393336.db2.gz JHLFNYLKQGFYFE-UHFFFAOYSA-N 1 0 315.373 3.195 20 5 DGBDRO CSc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001200126173 1180393871 /nfs/dbraw/zinc/39/38/71/1180393871.db2.gz BGQNSHFENBEJDL-UHFFFAOYSA-N 1 0 318.398 3.485 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001353235611 1180505155 /nfs/dbraw/zinc/50/51/55/1180505155.db2.gz VIPYPYZANJVZQQ-CYBMUJFWSA-N 1 0 314.389 3.110 20 5 DGBDRO C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001354154837 1180732307 /nfs/dbraw/zinc/73/23/07/1180732307.db2.gz FJBFQXGCNYBJDA-OLZOCXBDSA-N 1 0 318.421 3.242 20 5 DGBDRO C[C@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001354158511 1180733757 /nfs/dbraw/zinc/73/37/57/1180733757.db2.gz ZKROEULNMZKWEB-NWDGAFQWSA-N 1 0 322.384 3.194 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC001355264660 1181023359 /nfs/dbraw/zinc/02/33/59/1181023359.db2.gz XLZQBVPSFYLQPI-GFCCVEGCSA-N 1 0 314.389 3.365 20 5 DGBDRO C[NH+](C)C[C@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001356498388 1181203129 /nfs/dbraw/zinc/20/31/29/1181203129.db2.gz DQSHKTHBYQSJER-SNVBAGLBSA-N 1 0 317.311 3.002 20 5 DGBDRO CCC[N@H+](CC)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC001458219034 1182506176 /nfs/dbraw/zinc/50/61/76/1182506176.db2.gz GYXJKHURJPUKDJ-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO C[C@@H](C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC001460622208 1182700976 /nfs/dbraw/zinc/70/09/76/1182700976.db2.gz UCDAUGUODMEHSF-CXAGYDPISA-N 1 0 308.422 3.464 20 5 DGBDRO C[C@H](C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001460744468 1182714870 /nfs/dbraw/zinc/71/48/70/1182714870.db2.gz PKADFDJNGJHNFH-CYBMUJFWSA-N 1 0 321.421 3.172 20 5 DGBDRO C[C@@H](C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001460744469 1182715642 /nfs/dbraw/zinc/71/56/42/1182715642.db2.gz PKADFDJNGJHNFH-ZDUSSCGKSA-N 1 0 321.421 3.172 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCOCC23CCCC3)cccc1[N+](=O)[O-] ZINC001460965956 1182748122 /nfs/dbraw/zinc/74/81/22/1182748122.db2.gz MPBHGGFDAFXTOW-INIZCTEOSA-N 1 0 304.390 3.342 20 5 DGBDRO CC1(C)C[C@@H]1C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001461186376 1182779276 /nfs/dbraw/zinc/77/92/76/1182779276.db2.gz OSDRDBRLGQGMGW-SECBINFHSA-N 1 0 313.195 3.493 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CCO)C3CC3)o2)cc1 ZINC001461233575 1182783634 /nfs/dbraw/zinc/78/36/34/1182783634.db2.gz ZTMYBCYTPDJRDT-INIZCTEOSA-N 1 0 316.357 3.105 20 5 DGBDRO Cc1scc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1C ZINC001462208539 1182924061 /nfs/dbraw/zinc/92/40/61/1182924061.db2.gz WLZYTDTWXOJNQG-UHFFFAOYSA-N 1 0 305.403 3.238 20 5 DGBDRO CC1(C)CCN(Cc2ccc([N+](=O)[O-])cc2F)CC(C)(C)[NH2+]1 ZINC001462662577 1182982033 /nfs/dbraw/zinc/98/20/33/1182982033.db2.gz FFQSINGTWGVYKW-UHFFFAOYSA-N 1 0 309.385 3.086 20 5 DGBDRO CCC(CC)[NH2+]CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC001466443401 1183205331 /nfs/dbraw/zinc/20/53/31/1183205331.db2.gz UCPTYVKBZNDEJF-UHFFFAOYSA-N 1 0 322.409 3.111 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001472668755 1183664071 /nfs/dbraw/zinc/66/40/71/1183664071.db2.gz XJBOZKKATWSJSK-VXGBXAGGSA-N 1 0 317.393 3.003 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001472673918 1183664726 /nfs/dbraw/zinc/66/47/26/1183664726.db2.gz KGHALEQZZPBIPF-UHFFFAOYSA-N 1 0 321.396 3.436 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001472798004 1183682485 /nfs/dbraw/zinc/68/24/85/1183682485.db2.gz UKMNPSALRFKURI-ZDUSSCGKSA-N 1 0 320.437 3.401 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC001473446105 1183758362 /nfs/dbraw/zinc/75/83/62/1183758362.db2.gz AEWUAQYZMGFBQP-JKSUJKDBSA-N 1 0 322.405 3.287 20 5 DGBDRO CC[C@H]1C[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC001473563486 1183773663 /nfs/dbraw/zinc/77/36/63/1183773663.db2.gz CXDKAMQMONRPEV-HOTGVXAUSA-N 1 0 322.405 3.253 20 5 DGBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3CCCC[C@@]32C)c([N+](=O)[O-])c1 ZINC001473692613 1183789150 /nfs/dbraw/zinc/78/91/50/1183789150.db2.gz FILQDINJDWFMBA-GUYCJALGSA-N 1 0 320.389 3.247 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)c1 ZINC001473884443 1183819063 /nfs/dbraw/zinc/81/90/63/1183819063.db2.gz IUQBFGJLVIRFDU-SJORKVTESA-N 1 0 320.389 3.007 20 5 DGBDRO CC(C)c1cnc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC001473981295 1183842390 /nfs/dbraw/zinc/84/23/90/1183842390.db2.gz BNEHNFNTDSUNSK-UHFFFAOYSA-N 1 0 321.402 3.343 20 5 DGBDRO Cc1c(C[NH2+]C2CC(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001474441074 1183921700 /nfs/dbraw/zinc/92/17/00/1183921700.db2.gz DCEJFOXLOHFZQC-UHFFFAOYSA-N 1 0 320.389 3.113 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@H]2C[C@H]2C2CCCC2)c1[N+](=O)[O-] ZINC001474754739 1183973626 /nfs/dbraw/zinc/97/36/26/1183973626.db2.gz BPQNFWKQGMALAI-KGLIPLIRSA-N 1 0 320.389 3.225 20 5 DGBDRO Cc1ccc(NCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001611775662 1193441348 /nfs/dbraw/zinc/44/13/48/1193441348.db2.gz LHDLSMLZMSYCJN-UHFFFAOYSA-N 1 0 311.385 3.373 20 5 DGBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc(C(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001516431427 1186783969 /nfs/dbraw/zinc/78/39/69/1186783969.db2.gz OODVOYOCBQODMH-TUAOUCFPSA-N 1 0 311.332 3.285 20 5 DGBDRO Cc1cc(NC(=O)NCc2cnc(C)cc2C)cc([N+](=O)[O-])c1 ZINC001517923303 1186825653 /nfs/dbraw/zinc/82/56/53/1186825653.db2.gz XTOHJLXZGGOJBL-UHFFFAOYSA-N 1 0 314.345 3.237 20 5 DGBDRO CC[NH+](CC)[C@H](C)CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001612342530 1193450420 /nfs/dbraw/zinc/45/04/20/1193450420.db2.gz ALKZGZPNQZDTAC-SNVBAGLBSA-N 1 0 315.801 3.399 20 5 DGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C1CCCC1 ZINC001612913447 1193463697 /nfs/dbraw/zinc/46/36/97/1193463697.db2.gz VQEUTBUOSNXHLF-GFCCVEGCSA-N 1 0 307.369 3.187 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001615497094 1193523236 /nfs/dbraw/zinc/52/32/36/1193523236.db2.gz STININYLLJNGTA-ZIAGYGMSSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@H](Cc1ccsc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001615783034 1193528510 /nfs/dbraw/zinc/52/85/10/1193528510.db2.gz QHRKBAINDWQMGL-WBMJQRKESA-N 1 0 320.414 3.253 20 5 DGBDRO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001617358650 1193566597 /nfs/dbraw/zinc/56/65/97/1193566597.db2.gz BQDIMXICYRYNHM-YNEHKIRRSA-N 1 0 305.378 3.042 20 5 DGBDRO CN(C(=O)C[NH+]1CCCCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001617969413 1193587341 /nfs/dbraw/zinc/58/73/41/1193587341.db2.gz WVCUVUUIBIAWGZ-UHFFFAOYSA-N 1 0 319.405 3.214 20 5 DGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001618010357 1193588428 /nfs/dbraw/zinc/58/84/28/1193588428.db2.gz DLXHGODBKSSEDS-HZPDHXFCSA-N 1 0 322.405 3.155 20 5 DGBDRO Cc1nc(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC001559067810 1189167928 /nfs/dbraw/zinc/16/79/28/1189167928.db2.gz ROXJRQBOSYDSEO-MRXNPFEDSA-N 1 0 320.437 3.467 20 5 DGBDRO O=[N+]([O-])c1ccc(NCc2ccc3c[nH+]cn3c2)c2ncccc12 ZINC001559208312 1189180949 /nfs/dbraw/zinc/18/09/49/1189180949.db2.gz BQWHXIMFBGUGTJ-UHFFFAOYSA-N 1 0 319.324 3.403 20 5 DGBDRO CC1(C)CC[N@H+](CCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001559300232 1189194227 /nfs/dbraw/zinc/19/42/27/1189194227.db2.gz HNDQOLRJAJQOJY-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC001559846849 1189249182 /nfs/dbraw/zinc/24/91/82/1189249182.db2.gz MFWVAMAPRPBGLN-LYRGGWFBSA-N 1 0 322.405 3.143 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001559847720 1189249771 /nfs/dbraw/zinc/24/97/71/1189249771.db2.gz ZPUAVWGCPKUKSI-BIGNPOOSSA-N 1 0 312.797 3.397 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCSC[C@H]1C1CC1 ZINC001560188921 1189289053 /nfs/dbraw/zinc/28/90/53/1189289053.db2.gz YJABAFHWIWSZHU-HNNXBMFYSA-N 1 0 322.430 3.191 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@H]1[C@H]1CCCO1 ZINC001560223506 1189293850 /nfs/dbraw/zinc/29/38/50/1189293850.db2.gz ANMFXVKVXBIIRC-JKSUJKDBSA-N 1 0 308.353 3.267 20 5 DGBDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001560357365 1189316969 /nfs/dbraw/zinc/31/69/69/1189316969.db2.gz LGIDJCGLTVFKFT-LBPRGKRZSA-N 1 0 301.346 3.163 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCC(=O)OC(C)(C)C ZINC001560513637 1189334859 /nfs/dbraw/zinc/33/48/59/1189334859.db2.gz BBTVHEKWLOTDQD-UHFFFAOYSA-N 1 0 322.405 3.423 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC001560564999 1189342585 /nfs/dbraw/zinc/34/25/85/1189342585.db2.gz PZSQFUNENJMGKS-MRXNPFEDSA-N 1 0 322.405 3.024 20 5 DGBDRO [NH3+]CCN(C[C@H]1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001560815938 1189386327 /nfs/dbraw/zinc/38/63/27/1189386327.db2.gz WLBBWLCGFMSGDM-OAHLLOKOSA-N 1 0 311.385 3.090 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC001560894707 1189402361 /nfs/dbraw/zinc/40/23/61/1189402361.db2.gz RRNMGRDSABXLNQ-GXTWGEPZSA-N 1 0 320.389 3.367 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001561054836 1189427897 /nfs/dbraw/zinc/42/78/97/1189427897.db2.gz OEDKCUFDBQUMFE-LBPRGKRZSA-N 1 0 313.829 3.458 20 5 DGBDRO CC(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@H](C)[NH3+] ZINC001575408767 1191481228 /nfs/dbraw/zinc/48/12/28/1191481228.db2.gz WGYCFHGNSFGVEN-ZBEGNZNMSA-N 1 0 315.373 3.306 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001575967108 1191521407 /nfs/dbraw/zinc/52/14/07/1191521407.db2.gz VAWZUILTZOWFLR-HOCLYGCPSA-N 1 0 319.449 3.284 20 5 DGBDRO CC1(C)[C@H]([NH3+])C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001576380730 1191578080 /nfs/dbraw/zinc/57/80/80/1191578080.db2.gz XPNMAWPCGKBOHG-HZPDHXFCSA-N 1 0 315.373 3.070 20 5 DGBDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001576389073 1191580260 /nfs/dbraw/zinc/58/02/60/1191580260.db2.gz FNISXLKIISNXND-GLQYFDAESA-N 1 0 323.824 3.114 20 5 DGBDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001576389072 1191581066 /nfs/dbraw/zinc/58/10/66/1191581066.db2.gz FNISXLKIISNXND-DFBGVHRSSA-N 1 0 323.824 3.114 20 5 DGBDRO C[C@]12C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001620626946 1193784755 /nfs/dbraw/zinc/78/47/55/1193784755.db2.gz FYKJCFYCLUFQDK-MAQMMGONSA-N 1 0 302.349 3.378 20 5 DGBDRO C[C@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)(C)C ZINC001621218304 1193818875 /nfs/dbraw/zinc/81/88/75/1193818875.db2.gz BHYJGUUJYMWYRM-CQSZACIVSA-N 1 0 305.422 3.399 20 5 DGBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)C[NH+](C)C ZINC001621554818 1193857852 /nfs/dbraw/zinc/85/78/52/1193857852.db2.gz IZWFGYXVVUPANC-UHFFFAOYSA-N 1 0 313.829 3.268 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000036925910 1193923690 /nfs/dbraw/zinc/92/36/90/1193923690.db2.gz DUOQHIDEBCDNAE-LLVKDONJSA-N 1 0 312.801 3.320 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1F ZINC001640526049 1194818463 /nfs/dbraw/zinc/81/84/63/1194818463.db2.gz YBJIGJOFYQGKHU-PBHICJAKSA-N 1 0 321.396 3.433 20 5 DGBDRO C[NH+]1CCC(CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC001642176082 1194892190 /nfs/dbraw/zinc/89/21/90/1194892190.db2.gz VVWXPSJRFQAXHH-UHFFFAOYSA-N 1 0 318.421 3.012 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1(C)C ZINC001643131897 1194997186 /nfs/dbraw/zinc/99/71/86/1194997186.db2.gz WYSZENPNERDCSP-HOTGVXAUSA-N 1 0 322.405 3.285 20 5 DGBDRO C[C@H]1[C@@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001643203415 1195003148 /nfs/dbraw/zinc/00/31/48/1195003148.db2.gz SSAVHYXZMMUWLT-CBAPKCEASA-N 1 0 304.177 3.406 20 5 DGBDRO C[C@@H]1[C@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001643203417 1195004218 /nfs/dbraw/zinc/00/42/18/1195004218.db2.gz SSAVHYXZMMUWLT-VXNVDRBHSA-N 1 0 304.177 3.406 20 5 DGBDRO C[C@@H]1[C@@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001643203414 1195004350 /nfs/dbraw/zinc/00/43/50/1195004350.db2.gz SSAVHYXZMMUWLT-APPZFPTMSA-N 1 0 304.177 3.406 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001643208928 1195004914 /nfs/dbraw/zinc/00/49/14/1195004914.db2.gz FXYUPJAWSVEYLA-UHFFFAOYSA-N 1 0 307.394 3.291 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC001643914894 1195064220 /nfs/dbraw/zinc/06/42/20/1195064220.db2.gz GELJHCXUJGKIFI-OAHLLOKOSA-N 1 0 306.410 3.144 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccccc1C)C(C)C ZINC001645105860 1195157614 /nfs/dbraw/zinc/15/76/14/1195157614.db2.gz LUJLEROTDPNULR-QGZVFWFLSA-N 1 0 316.405 3.395 20 5 DGBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H](C)C1 ZINC001645913460 1195206944 /nfs/dbraw/zinc/20/69/44/1195206944.db2.gz WNHJJWOENIYKJD-LSDHHAIUSA-N 1 0 308.426 3.472 20 5 DGBDRO C[C@@H]([NH2+]C[Si](C)(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001648277258 1195288746 /nfs/dbraw/zinc/28/87/46/1195288746.db2.gz JAKXIOWTBNUVIU-CQSZACIVSA-N 1 0 314.461 3.400 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](CC2CCCCC2)CC1 ZINC001651443958 1195462821 /nfs/dbraw/zinc/46/28/21/1195462821.db2.gz JYHYSZJZJHZJQM-UHFFFAOYSA-N 1 0 321.396 3.436 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001651475586 1195467494 /nfs/dbraw/zinc/46/74/94/1195467494.db2.gz PBUFVMAHOKFORN-LBPRGKRZSA-N 1 0 306.410 3.011 20 5 DGBDRO CCC[C@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC001652028738 1195538557 /nfs/dbraw/zinc/53/85/57/1195538557.db2.gz XFCJMTFJIYZZPN-CYBMUJFWSA-N 1 0 300.786 3.195 20 5 DGBDRO CN(CC(C)(C)C[NH+](C)C)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC001652304513 1195578597 /nfs/dbraw/zinc/57/85/97/1195578597.db2.gz FNXXOWOLGKONHR-UHFFFAOYSA-N 1 0 322.434 3.229 20 5 DGBDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001653063508 1195685161 /nfs/dbraw/zinc/68/51/61/1195685161.db2.gz XLKWPXNDBLDRIZ-GFCCVEGCSA-N 1 0 314.341 3.232 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCCCC2(C)C)c1 ZINC001653366903 1195715353 /nfs/dbraw/zinc/71/53/53/1195715353.db2.gz MIGHJQBHKADRTA-HNNXBMFYSA-N 1 0 320.389 3.440 20 5 DGBDRO CO[C@@]1(C)C[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653446317 1195725025 /nfs/dbraw/zinc/72/50/25/1195725025.db2.gz YORDVECJWGJTRD-RDJZCZTQSA-N 1 0 322.405 3.109 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001655087169 1195874283 /nfs/dbraw/zinc/87/42/83/1195874283.db2.gz XZNJGKNHXDPETM-ZIAGYGMSSA-N 1 0 319.405 3.352 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001655534284 1195929336 /nfs/dbraw/zinc/92/93/36/1195929336.db2.gz JTBLYJKMBZRFPW-ZDUSSCGKSA-N 1 0 316.405 3.097 20 5 DGBDRO C[C@H]1Cc2cc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC001655560423 1195932117 /nfs/dbraw/zinc/93/21/17/1195932117.db2.gz HGRJBCHZJYXPMD-ZDUSSCGKSA-N 1 0 312.369 3.251 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001655902994 1195975674 /nfs/dbraw/zinc/97/56/74/1195975674.db2.gz UNFRODBBRWEHOP-OAHLLOKOSA-N 1 0 308.353 3.173 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC001656363504 1196033000 /nfs/dbraw/zinc/03/30/00/1196033000.db2.gz DGICAUTYZLZVHW-UHFFFAOYSA-N 1 0 308.353 3.318 20 5 DGBDRO CCC[C@@](C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC001656483836 1196043589 /nfs/dbraw/zinc/04/35/89/1196043589.db2.gz UDIIDFVMANGDEU-MRXNPFEDSA-N 1 0 302.378 3.096 20 5 DGBDRO CC1(C)CCC[C@](O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001656776743 1196070349 /nfs/dbraw/zinc/07/03/49/1196070349.db2.gz PULVEKLLGPYYCS-QGZVFWFLSA-N 1 0 306.406 3.406 20 5 DGBDRO CC(C)c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001656798419 1196072061 /nfs/dbraw/zinc/07/20/61/1196072061.db2.gz GWSLXNZZLHRDFQ-DLBZAZTESA-N 1 0 317.433 3.435 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccc([N+](=O)[O-])cc1 ZINC001656960446 1196087166 /nfs/dbraw/zinc/08/71/66/1196087166.db2.gz QUUPIUJVKDNGBL-NSHDSACASA-N 1 0 312.329 3.429 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cc(F)ccc2C)cc1[N+](=O)[O-] ZINC001657136864 1196109743 /nfs/dbraw/zinc/10/97/43/1196109743.db2.gz MAAWYDHSXRSKQA-UHFFFAOYSA-N 1 0 304.321 3.341 20 5 DGBDRO C[C@H](F)CC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001657452643 1196142947 /nfs/dbraw/zinc/14/29/47/1196142947.db2.gz UDUYVMLMLLUZFP-QMMMGPOBSA-N 1 0 305.147 3.195 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C/C=C/c2ccccc2)c1[N+](=O)[O-] ZINC001657537515 1196152826 /nfs/dbraw/zinc/15/28/26/1196152826.db2.gz QTXYPEFUHMDLAD-VMPITWQZSA-N 1 0 314.341 3.112 20 5 DGBDRO [NH3+]CCN(CCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC001658000141 1196200215 /nfs/dbraw/zinc/20/02/15/1196200215.db2.gz RKVNODUSTKNFMW-UHFFFAOYSA-N 1 0 319.792 3.256 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2nccnc2c1)c1ccccc1[N+](=O)[O-] ZINC001658537543 1196270813 /nfs/dbraw/zinc/27/08/13/1196270813.db2.gz RKMNZDKKCHAFPK-GFCCVEGCSA-N 1 0 308.341 3.389 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC1CCC1 ZINC001658575141 1196275648 /nfs/dbraw/zinc/27/56/48/1196275648.db2.gz ADOPSOLSJZJPFG-ZDUSSCGKSA-N 1 0 319.405 3.482 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccc2nccnc2c1)c1ccccc1[N+](=O)[O-] ZINC001658683394 1196288344 /nfs/dbraw/zinc/28/83/44/1196288344.db2.gz GHCNTUOZSSYWQD-ZDUSSCGKSA-N 1 0 322.368 3.431 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001658738384 1196294142 /nfs/dbraw/zinc/29/41/42/1196294142.db2.gz WPXHZRRLVVIXLR-KGLIPLIRSA-N 1 0 306.431 3.397 20 5 DGBDRO Cc1cccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1F ZINC001659110053 1196345498 /nfs/dbraw/zinc/34/54/98/1196345498.db2.gz HJBUCIGDUVOWKG-UHFFFAOYSA-N 1 0 303.337 3.008 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc(C)cc1 ZINC001659193214 1196357857 /nfs/dbraw/zinc/35/78/57/1196357857.db2.gz DRVVZWGOANCNIM-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO COC(=O)[C@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001660030777 1196439310 /nfs/dbraw/zinc/43/93/10/1196439310.db2.gz DPXAXHZPVHTRCR-NFAWXSAZSA-N 1 0 320.389 3.225 20 5 DGBDRO Cc1c(CN2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001660369702 1196475854 /nfs/dbraw/zinc/47/58/54/1196475854.db2.gz JSWMYLVUOSDNAR-YOEHRIQHSA-N 1 0 319.449 3.455 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3nccn32)cc1[N+](=O)[O-] ZINC001661594807 1196622854 /nfs/dbraw/zinc/62/28/54/1196622854.db2.gz LMPURWGHJCQEBQ-CYBMUJFWSA-N 1 0 310.357 3.402 20 5 DGBDRO COc1ccc(CNCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC001661652164 1196627809 /nfs/dbraw/zinc/62/78/09/1196627809.db2.gz XFUKXMNWGBMPAB-UHFFFAOYSA-N 1 0 323.437 3.202 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001662971541 1196778646 /nfs/dbraw/zinc/77/86/46/1196778646.db2.gz XKFACFXCNWNHQD-IRXDYDNUSA-N 1 0 304.390 3.341 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001662971543 1196778744 /nfs/dbraw/zinc/77/87/44/1196778744.db2.gz XKFACFXCNWNHQD-SJORKVTESA-N 1 0 304.390 3.341 20 5 DGBDRO CO[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001665345623 1197126530 /nfs/dbraw/zinc/12/65/30/1197126530.db2.gz OKPRBZPCZWZYQZ-KRWDZBQOSA-N 1 0 306.406 3.322 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(Br)CC2)c(Cl)c1 ZINC001665809936 1197200790 /nfs/dbraw/zinc/20/07/90/1197200790.db2.gz XNISSBCSRDSDPL-UHFFFAOYSA-N 1 0 319.586 3.265 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001169711590 1081636557 /nfs/dbraw/zinc/63/65/57/1081636557.db2.gz MZCZOYJIQGRRDX-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO Cc1nc(N2CC3(CC[NH2+]CC3)c3ccccc32)ccc1[N+](=O)[O-] ZINC001167071899 1081637179 /nfs/dbraw/zinc/63/71/79/1081637179.db2.gz QKQLEYLHSFKAPQ-UHFFFAOYSA-N 1 0 324.384 3.071 20 5 DGBDRO C[NH2+]Cc1c(C)nn(-c2ccc3ccc4cccnc4c3n2)c1C ZINC001167098259 1081689849 /nfs/dbraw/zinc/68/98/49/1081689849.db2.gz JNYRRGPPCXTZNO-UHFFFAOYSA-N 1 0 317.396 3.305 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccnc2C)c([N+](=O)[O-])c1 ZINC001170298164 1082338377 /nfs/dbraw/zinc/33/83/77/1082338377.db2.gz HBTCFPFROAFZKW-LBPRGKRZSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC001170296722 1082338580 /nfs/dbraw/zinc/33/85/80/1082338580.db2.gz HWKOJSHRGKQSSE-MNOVXSKESA-N 1 0 321.402 3.342 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC001170329015 1082347964 /nfs/dbraw/zinc/34/79/64/1082347964.db2.gz NDEKYROMCZOLBP-YUELXQCFSA-N 1 0 322.405 3.082 20 5 DGBDRO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170355878 1082350488 /nfs/dbraw/zinc/35/04/88/1082350488.db2.gz RYTUIIASEWTMCG-XEZPLFJOSA-N 1 0 322.405 3.034 20 5 DGBDRO COc1ccc(C[C@H](C)[N@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170345421 1082356941 /nfs/dbraw/zinc/35/69/41/1082356941.db2.gz KGHNZAFHNYFHOW-BBRMVZONSA-N 1 0 322.405 3.035 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170345422 1082357233 /nfs/dbraw/zinc/35/72/33/1082357233.db2.gz KGHNZAFHNYFHOW-CJNGLKHVSA-N 1 0 322.405 3.035 20 5 DGBDRO Cc1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC001170451651 1082476806 /nfs/dbraw/zinc/47/68/06/1082476806.db2.gz VRMAIFSTZDYCGY-UHFFFAOYSA-N 1 0 306.410 3.362 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001218028003 1083012066 /nfs/dbraw/zinc/01/20/66/1083012066.db2.gz SCQPCIDBDZWCAJ-QPUJVOFHSA-N 1 0 302.733 3.154 20 5 DGBDRO CCCC(CCC)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133023319 1083030498 /nfs/dbraw/zinc/03/04/98/1083030498.db2.gz FXIUEJCVJBDLMP-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO Cc1cc(C)c(-n2nc(C[NH3+])c3ccccc32)c(C)c1[N+](=O)[O-] ZINC001167697575 1083105792 /nfs/dbraw/zinc/10/57/92/1083105792.db2.gz HBOSCZXEPANKMI-UHFFFAOYSA-N 1 0 310.357 3.318 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1NCc1nccc3ccccc31)C[NH2+]C2 ZINC001167703285 1083119555 /nfs/dbraw/zinc/11/95/55/1083119555.db2.gz XLPUSPOAHADIDS-UHFFFAOYSA-N 1 0 320.352 3.358 20 5 DGBDRO CCCC[NH+](CCCC)CCNc1ccc(OC)c([N+](=O)[O-])n1 ZINC001167732401 1083310266 /nfs/dbraw/zinc/31/02/66/1083310266.db2.gz ZVAZFOPTDVAYIG-UHFFFAOYSA-N 1 0 324.425 3.313 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC001181234718 1083437920 /nfs/dbraw/zinc/43/79/20/1083437920.db2.gz OZRHOUBHKSCCGM-AVGNSLFASA-N 1 0 322.405 3.471 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CC[C@@H]4CCC[C@@H]43)nc2c1 ZINC001181267603 1083439469 /nfs/dbraw/zinc/43/94/69/1083439469.db2.gz RVPPIDFDZOJSRI-DRZSPHRISA-N 1 0 300.362 3.139 20 5 DGBDRO Cc1cc(C)cc(CCN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC001181554690 1083491369 /nfs/dbraw/zinc/49/13/69/1083491369.db2.gz FKAMQONKOXWOCL-UHFFFAOYSA-N 1 0 313.401 3.219 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC001182006890 1083612556 /nfs/dbraw/zinc/61/25/56/1083612556.db2.gz AJQIQIBSUGYWCK-SFHVURJKSA-N 1 0 320.433 3.442 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001167753870 1083631531 /nfs/dbraw/zinc/63/15/31/1083631531.db2.gz SIGZRCAJQWEUOF-GFCCVEGCSA-N 1 0 317.393 3.148 20 5 DGBDRO O=C(CCc1c2ccccc2cc2ccccc21)N[C@H]1CC[NH2+]C1 ZINC001182415259 1083713386 /nfs/dbraw/zinc/71/33/86/1083713386.db2.gz YHALRNXHLSZKRG-KRWDZBQOSA-N 1 0 318.420 3.404 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC001182533147 1083748359 /nfs/dbraw/zinc/74/83/59/1083748359.db2.gz JODGRYWAAKTCDL-YIZWMMSDSA-N 1 0 320.389 3.225 20 5 DGBDRO Cc1cccc2c1C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CO2 ZINC001183009234 1083855202 /nfs/dbraw/zinc/85/52/02/1083855202.db2.gz APYUMZHJBOTTOM-HNNXBMFYSA-N 1 0 312.369 3.039 20 5 DGBDRO C[N@@H+]1CCCC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001187044773 1084746140 /nfs/dbraw/zinc/74/61/40/1084746140.db2.gz OPKNLMSJAFDQRS-ZDUSSCGKSA-N 1 0 318.421 3.012 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCCC1CC[NH+](C(C)C)CC1 ZINC001187189804 1084767427 /nfs/dbraw/zinc/76/74/27/1084767427.db2.gz IPHSVWLFVMWYSB-UHFFFAOYSA-N 1 0 306.410 3.221 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Br)c(F)c1F ZINC001226050439 1085846810 /nfs/dbraw/zinc/84/68/10/1085846810.db2.gz PVJKMTPJEQPYEL-MRVPVSSYSA-N 1 0 309.174 3.201 20 5 DGBDRO Cc1cnc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001158265035 1087748680 /nfs/dbraw/zinc/74/86/80/1087748680.db2.gz FGUUTZRABQEUMP-LRDDRELGSA-N 1 0 306.410 3.254 20 5 DGBDRO Cc1ccnc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158268682 1087752565 /nfs/dbraw/zinc/75/25/65/1087752565.db2.gz QCWRMBGEMRQHNL-LRDDRELGSA-N 1 0 306.410 3.254 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001158757075 1088012334 /nfs/dbraw/zinc/01/23/34/1088012334.db2.gz JANAGGGBIVXCNM-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cc([C@@H]2CCCC[NH2+]2)no1 ZINC001159313434 1088286203 /nfs/dbraw/zinc/28/62/03/1088286203.db2.gz NVBGMVUQSSFJEC-LBPRGKRZSA-N 1 0 302.334 3.449 20 5 DGBDRO Cc1c(Nc2ccc(CC[NH3+])cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159639755 1088430082 /nfs/dbraw/zinc/43/00/82/1088430082.db2.gz FAWWVJKVTXRHAJ-UHFFFAOYSA-N 1 0 316.317 3.056 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001159679761 1088442804 /nfs/dbraw/zinc/44/28/04/1088442804.db2.gz YJXOWOKXDOISNA-UHFFFAOYSA-N 1 0 301.321 3.166 20 5 DGBDRO c1nn(C2C[NH2+]C2)cc1Nc1ccc2nc3ccccc3cc2c1 ZINC001159741309 1088467691 /nfs/dbraw/zinc/46/76/91/1088467691.db2.gz KWQNABNYTJYWHS-UHFFFAOYSA-N 1 0 315.380 3.472 20 5 DGBDRO [NH3+][C@@H]1CCN(c2c(F)cccc2Nc2ccccc2[N+](=O)[O-])C1 ZINC001160116162 1088646708 /nfs/dbraw/zinc/64/67/08/1088646708.db2.gz CWQRICGSKAGFNI-LLVKDONJSA-N 1 0 316.336 3.015 20 5 DGBDRO [NH3+]CCc1cc2ccccc2n1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001160124939 1088653170 /nfs/dbraw/zinc/65/31/70/1088653170.db2.gz PVVBYJPKJSZNDE-UHFFFAOYSA-N 1 0 316.748 3.088 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)cc1 ZINC001160162345 1088679933 /nfs/dbraw/zinc/67/99/33/1088679933.db2.gz KXMJHDUNHRTYTA-CQSZACIVSA-N 1 0 317.320 3.218 20 5 DGBDRO Cc1ccc(Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)c([N+](=O)[O-])c1 ZINC001160399790 1088785618 /nfs/dbraw/zinc/78/56/18/1088785618.db2.gz NJXZTNLAOUYCQQ-ZBEGNZNMSA-N 1 0 311.341 3.095 20 5 DGBDRO [NH3+]Cc1ccc(Nc2cccc([N+](=O)[O-])n2)c(C(F)(F)F)c1 ZINC001160418127 1088794851 /nfs/dbraw/zinc/79/48/51/1088794851.db2.gz PXJKSHQNCJRKFV-UHFFFAOYSA-N 1 0 312.251 3.211 20 5 DGBDRO Cc1cnc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001160842240 1088989568 /nfs/dbraw/zinc/98/95/68/1088989568.db2.gz DRVADKMZPYEGBO-UHFFFAOYSA-N 1 0 324.384 3.478 20 5 DGBDRO [NH3+]Cc1ccccc1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001160907242 1089010398 /nfs/dbraw/zinc/01/03/98/1089010398.db2.gz MSRYWKIJUUVTBO-UHFFFAOYSA-N 1 0 308.341 3.214 20 5 DGBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001155247419 1089024590 /nfs/dbraw/zinc/02/45/90/1089024590.db2.gz HHVNAECKNWLINK-QMMMGPOBSA-N 1 0 317.736 3.002 20 5 DGBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001155248673 1089026013 /nfs/dbraw/zinc/02/60/13/1089026013.db2.gz XELCNLWIEAWFKN-QMMMGPOBSA-N 1 0 317.736 3.002 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)n1 ZINC001155549603 1089157836 /nfs/dbraw/zinc/15/78/36/1089157836.db2.gz NXLPENXJAMGIRI-DOMZBBRYSA-N 1 0 318.764 3.158 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001162452530 1089738749 /nfs/dbraw/zinc/73/87/49/1089738749.db2.gz FXGXBUPZIFYWJF-STQMWFEESA-N 1 0 320.437 3.335 20 5 DGBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162459171 1089743930 /nfs/dbraw/zinc/74/39/30/1089743930.db2.gz YBISVFDIBUJCOI-STQMWFEESA-N 1 0 307.394 3.041 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156928257 1089751918 /nfs/dbraw/zinc/75/19/18/1089751918.db2.gz JQLOVORPTUKJIU-LBPRGKRZSA-N 1 0 317.393 3.148 20 5 DGBDRO Cc1c(C)c(NCCC[N@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC001156929792 1089753114 /nfs/dbraw/zinc/75/31/14/1089753114.db2.gz ZRFQGJGUGBLOEM-GFCCVEGCSA-N 1 0 306.410 3.283 20 5 DGBDRO CC(C)[N@H+](C)[C@H]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001157009493 1089785668 /nfs/dbraw/zinc/78/56/68/1089785668.db2.gz JBBLEMYEYRXCSD-AWEZNQCLSA-N 1 0 314.389 3.062 20 5 DGBDRO CC(C)[N@H+](C)[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001157019167 1089786323 /nfs/dbraw/zinc/78/63/23/1089786323.db2.gz DDOCIDFLHLZFNK-AWEZNQCLSA-N 1 0 314.389 3.062 20 5 DGBDRO CC1(Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC001157403214 1089948772 /nfs/dbraw/zinc/94/87/72/1089948772.db2.gz LPBCGMCAQOYZQB-UHFFFAOYSA-N 1 0 320.780 3.350 20 5 DGBDRO O=[N+]([O-])c1c(F)cc(F)cc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162810296 1089969062 /nfs/dbraw/zinc/96/90/62/1089969062.db2.gz PEXXDPBMMRZYMT-UHFFFAOYSA-N 1 0 319.311 3.131 20 5 DGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162816367 1089973318 /nfs/dbraw/zinc/97/33/18/1089973318.db2.gz PPJBBSGDXWXWQO-UHFFFAOYSA-N 1 0 315.348 3.300 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1NCc1c(C)nn(C)c1C ZINC001162883452 1090004111 /nfs/dbraw/zinc/00/41/11/1090004111.db2.gz FUKGQRJAKFYFAS-UHFFFAOYSA-N 1 0 301.458 3.245 20 5 DGBDRO CC(C)[NH+]1CC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC001157530137 1090010790 /nfs/dbraw/zinc/01/07/90/1090010790.db2.gz RWINTNVPMOIGSH-UHFFFAOYSA-N 1 0 312.373 3.161 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001163038995 1090060106 /nfs/dbraw/zinc/06/01/06/1090060106.db2.gz XXKBASMYCUAYEW-UHFFFAOYSA-N 1 0 305.382 3.181 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001163040847 1090060726 /nfs/dbraw/zinc/06/07/26/1090060726.db2.gz TYLVUHMDIKMELN-UHFFFAOYSA-N 1 0 317.393 3.248 20 5 DGBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001157743107 1090094721 /nfs/dbraw/zinc/09/47/21/1090094721.db2.gz HIFVQMNRZHWFAH-BXKDBHETSA-N 1 0 320.780 3.112 20 5 DGBDRO [NH3+]CC[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)c2ccccc21 ZINC001157744205 1090095218 /nfs/dbraw/zinc/09/52/18/1090095218.db2.gz IVENGUONSRBCQJ-LLVKDONJSA-N 1 0 323.356 3.055 20 5 DGBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163230018 1090126802 /nfs/dbraw/zinc/12/68/02/1090126802.db2.gz SXPOGAYVMPXIIJ-ZDUSSCGKSA-N 1 0 319.386 3.311 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC001163358623 1090162554 /nfs/dbraw/zinc/16/25/54/1090162554.db2.gz WHFBFYXVJKCGMH-MFKMUULPSA-N 1 0 312.801 3.174 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2ccc3ccc4cccnc4c3n2)C1 ZINC001164067997 1090332702 /nfs/dbraw/zinc/33/27/02/1090332702.db2.gz DVMGPYQTGRQTKL-CZUORRHYSA-N 1 0 306.413 3.347 20 5 DGBDRO Cc1cc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001164191139 1090368819 /nfs/dbraw/zinc/36/88/19/1090368819.db2.gz YUWMJIKBWBCHJG-SECBINFHSA-N 1 0 303.284 3.038 20 5 DGBDRO CC[NH+]1CCC(N(C)c2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001165067660 1090458532 /nfs/dbraw/zinc/45/85/32/1090458532.db2.gz GXPFOLXEBBDULT-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001165273846 1090493776 /nfs/dbraw/zinc/49/37/76/1090493776.db2.gz WYABJHOEPLVVDB-CYBMUJFWSA-N 1 0 318.421 3.012 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001165273847 1090494049 /nfs/dbraw/zinc/49/40/49/1090494049.db2.gz WYABJHOEPLVVDB-ZDUSSCGKSA-N 1 0 318.421 3.012 20 5 DGBDRO CC1=CCC[C@H](C)[C@@H]1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001205709285 1091319666 /nfs/dbraw/zinc/31/96/66/1091319666.db2.gz WNVMIIAYLUXIFJ-LSDHHAIUSA-N 1 0 303.406 3.352 20 5 DGBDRO OC[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1O ZINC001141723099 1092323932 /nfs/dbraw/zinc/32/39/32/1092323932.db2.gz OQPZJEKHTVJTIH-DYESRHJHSA-N 1 0 321.420 3.168 20 5 DGBDRO [NH3+]CCN(c1cccnc1)c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001168837709 1092389692 /nfs/dbraw/zinc/38/96/92/1092389692.db2.gz JIJLOXRPQOKXRM-VMPITWQZSA-N 1 0 318.764 3.079 20 5 DGBDRO [NH3+][C@H]1CCc2c(c3ccccc3n2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168976319 1092456835 /nfs/dbraw/zinc/45/68/35/1092456835.db2.gz CRIUYCAPOPROCJ-RDBSUJKOSA-N 1 0 313.401 3.075 20 5 DGBDRO COc1ccc([C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC2)cc1 ZINC001168977669 1092457074 /nfs/dbraw/zinc/45/70/74/1092457074.db2.gz LBKMKYUDEMIZKF-YLQAJVPDSA-N 1 0 304.390 3.181 20 5 DGBDRO Cc1ccc2c(CC[NH3+])cn([C@H]3CC[C@H](C[N+](=O)[O-])C3)c2c1 ZINC001168976021 1092457105 /nfs/dbraw/zinc/45/71/05/1092457105.db2.gz YGWCNLPMXNPEKY-ZFWWWQNUSA-N 1 0 301.390 3.069 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2cccnc2)C1 ZINC001168980408 1092458319 /nfs/dbraw/zinc/45/83/19/1092458319.db2.gz DHZUSEVPHOBGTG-WMLDXEAASA-N 1 0 311.385 3.284 20 5 DGBDRO [NH3+]Cc1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccc(Cl)cc12 ZINC001168979659 1092458375 /nfs/dbraw/zinc/45/83/75/1092458375.db2.gz ZHEZTVYEUASHQW-GWCFXTLKSA-N 1 0 307.781 3.371 20 5 DGBDRO [NH3+]Cc1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccc(Cl)cc12 ZINC001168979660 1092458547 /nfs/dbraw/zinc/45/85/47/1092458547.db2.gz ZHEZTVYEUASHQW-GXFFZTMASA-N 1 0 307.781 3.371 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)c(F)cc2Cl)C1 ZINC001168978630 1092458784 /nfs/dbraw/zinc/45/87/84/1092458784.db2.gz TVELPYONIRPYLA-SCZZXKLOSA-N 1 0 304.724 3.153 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978848 1092458919 /nfs/dbraw/zinc/45/89/19/1092458919.db2.gz UWCRGSMJRLUSBB-IJEWVQPXSA-N 1 0 303.406 3.040 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)C1 ZINC001168978268 1092459144 /nfs/dbraw/zinc/45/91/44/1092459144.db2.gz QNWCDZFEMCQOEI-ZJUUUORDSA-N 1 0 320.286 3.380 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC001168983840 1092461257 /nfs/dbraw/zinc/46/12/57/1092461257.db2.gz LNUJMJJYNCHJNM-FHLIZLRMSA-N 1 0 318.417 3.189 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC001168961613 1092464465 /nfs/dbraw/zinc/46/44/65/1092464465.db2.gz JDYNJJZRMJLZNH-DTWKUNHWSA-N 1 0 304.724 3.153 20 5 DGBDRO Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168961880 1092466327 /nfs/dbraw/zinc/46/63/27/1092466327.db2.gz KQMXGSFIKYDIIL-ZFWWWQNUSA-N 1 0 301.390 3.069 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(N3CCCCC3)c2)C1 ZINC001168966000 1092468379 /nfs/dbraw/zinc/46/83/79/1092468379.db2.gz FOHPXWABVQPDRO-SJORKVTESA-N 1 0 317.433 3.212 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCOc2ccc(Cl)cc2)C1 ZINC001168965580 1092468672 /nfs/dbraw/zinc/46/86/72/1092468672.db2.gz AUUZDADFWSUQDS-GXTWGEPZSA-N 1 0 312.797 3.144 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001168975725 1092475184 /nfs/dbraw/zinc/47/51/84/1092475184.db2.gz WZKJQOPPTILOHV-SKDRFNHKSA-N 1 0 320.286 3.380 20 5 DGBDRO CCc1cc2c(cc1CC)CC([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168995683 1092476325 /nfs/dbraw/zinc/47/63/25/1092476325.db2.gz SPDVKHJZKFUHJK-SCLBCKFNSA-N 1 0 316.445 3.314 20 5 DGBDRO CCc1cc2c(cc1CC)CC([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168995681 1092476647 /nfs/dbraw/zinc/47/66/47/1092476647.db2.gz SPDVKHJZKFUHJK-FZKQIMNGSA-N 1 0 316.445 3.314 20 5 DGBDRO COc1ccccc1CC1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992502 1092477176 /nfs/dbraw/zinc/47/71/76/1092477176.db2.gz KFLAXTPGZQHRQD-GDBMZVCRSA-N 1 0 318.417 3.053 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3F)CC2)C1 ZINC001168998354 1092478506 /nfs/dbraw/zinc/47/85/06/1092478506.db2.gz LPAJTOYXTIPNMC-ZFWWWQNUSA-N 1 0 306.381 3.183 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(CC3CCC3)CCOCC2)C1 ZINC001168998563 1092479523 /nfs/dbraw/zinc/47/95/23/1092479523.db2.gz OQAXVMYRSJRMSZ-CVEARBPZSA-N 1 0 310.438 3.008 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C1 ZINC001168996934 1092479652 /nfs/dbraw/zinc/47/96/52/1092479652.db2.gz WXCFSHDHICEOAZ-GDBMZVCRSA-N 1 0 306.381 3.183 20 5 DGBDRO COc1cccc(CC2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168998016 1092479665 /nfs/dbraw/zinc/47/96/65/1092479665.db2.gz HGAMBFHENQQRTD-HOTGVXAUSA-N 1 0 318.417 3.053 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3F)CCC2)C1 ZINC001169000286 1092480431 /nfs/dbraw/zinc/48/04/31/1092480431.db2.gz XJJNSZSXFNDUNB-DZGCQCFKSA-N 1 0 306.381 3.326 20 5 DGBDRO COc1ccc(CC(C)(C)C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169000677 1092481337 /nfs/dbraw/zinc/48/13/37/1092481337.db2.gz YRPUUMWCXULHQI-HOTGVXAUSA-N 1 0 320.433 3.299 20 5 DGBDRO COc1cccc(CC2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001168999892 1092481595 /nfs/dbraw/zinc/48/15/95/1092481595.db2.gz WBLPOTGUSCDWNX-HOTGVXAUSA-N 1 0 318.417 3.195 20 5 DGBDRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169003063 1092482933 /nfs/dbraw/zinc/48/29/33/1092482933.db2.gz MSJAAWIEOWWYKU-RVSPLBMKSA-N 1 0 304.390 3.108 20 5 DGBDRO COc1ccccc1[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC1 ZINC001169003577 1092483385 /nfs/dbraw/zinc/48/33/85/1092483385.db2.gz OGTPVVQWAMOWBN-JDFRZJQESA-N 1 0 304.390 3.181 20 5 DGBDRO O=C(c1ccccc1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007296 1092485370 /nfs/dbraw/zinc/48/53/70/1092485370.db2.gz MKPZQMLMEWBZFY-WMLDXEAASA-N 1 0 316.401 3.027 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C1 ZINC001169030372 1092494088 /nfs/dbraw/zinc/49/40/88/1092494088.db2.gz ZBYSSOZMEWVVSJ-DYVFJYSZSA-N 1 0 306.381 3.451 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Oc3cccc(F)c3)CC2)C1 ZINC001169021819 1092502669 /nfs/dbraw/zinc/50/26/69/1092502669.db2.gz ADABUTSSMPMUJW-ZFWWWQNUSA-N 1 0 322.380 3.114 20 5 DGBDRO CC[N@H+](CCc1ccc(OC)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046897 1092507020 /nfs/dbraw/zinc/50/70/20/1092507020.db2.gz OGAZVSKKDIDTAD-HZPDHXFCSA-N 1 0 306.406 3.005 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)C1 ZINC001169046324 1092507542 /nfs/dbraw/zinc/50/75/42/1092507542.db2.gz KNEZAFKHAPIUAI-NOLJZWGESA-N 1 0 324.421 3.438 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3cccc(O)c3)CC2)C1 ZINC001169046667 1092507786 /nfs/dbraw/zinc/50/77/86/1092507786.db2.gz LQPLLGFMZDKBQW-CZUORRHYSA-N 1 0 304.390 3.017 20 5 DGBDRO Cc1c(F)cnc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169141038 1092557369 /nfs/dbraw/zinc/55/73/69/1092557369.db2.gz ILLNTNRYLRJWFH-BZNIZROVSA-N 1 0 324.400 3.393 20 5 DGBDRO Cc1cnc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001169141880 1092559343 /nfs/dbraw/zinc/55/93/43/1092559343.db2.gz DSMAKNBFBFOSMG-BLLLJJGKSA-N 1 0 306.410 3.254 20 5 DGBDRO COc1ncc(Nc2cc[nH+]c(C3CCC3)c2)cc1[N+](=O)[O-] ZINC001210136621 1093055277 /nfs/dbraw/zinc/05/52/77/1093055277.db2.gz MEFFEULZOMLPLR-UHFFFAOYSA-N 1 0 300.318 3.405 20 5 DGBDRO COCCCC1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001119953029 1094320760 /nfs/dbraw/zinc/32/07/60/1094320760.db2.gz IFCUIBYWROZQBZ-UHFFFAOYSA-N 1 0 306.406 3.324 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217943879 1094522929 /nfs/dbraw/zinc/52/29/29/1094522929.db2.gz BXKFJZFKHKXOBY-KOLCDFICSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217952235 1094527545 /nfs/dbraw/zinc/52/75/45/1094527545.db2.gz VNWSDZCIINOOKO-ONGXEEELSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C[C@H]2F)c(Cl)c1Cl ZINC001217951710 1094527803 /nfs/dbraw/zinc/52/78/03/1094527803.db2.gz UUODSSHKHYJYQO-APPZFPTMSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCCC[NH2+]C2)cc1C(F)(F)F ZINC001217967445 1094534020 /nfs/dbraw/zinc/53/40/20/1094534020.db2.gz APEYWWWHHBOKIA-SNVBAGLBSA-N 1 0 304.268 3.135 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217979583 1094539212 /nfs/dbraw/zinc/53/92/12/1094539212.db2.gz GXOZSYVVZVDTMK-GXSJLCMTSA-N 1 0 322.258 3.083 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001135495356 1094555583 /nfs/dbraw/zinc/55/55/83/1094555583.db2.gz ZRNGLRNSGVNQME-UONOGXRCSA-N 1 0 319.405 3.271 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]CC[C@@H]2F)cc1C(F)(F)F ZINC001218014733 1094560944 /nfs/dbraw/zinc/56/09/44/1094560944.db2.gz YRABURHCMWYMAP-CMPLNLGQSA-N 1 0 322.258 3.083 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001218030961 1094570636 /nfs/dbraw/zinc/57/06/36/1094570636.db2.gz WMAMJVNPYCKJGK-TVQRCGJNSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1C[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC001218058242 1094580313 /nfs/dbraw/zinc/58/03/13/1094580313.db2.gz VZOFQRSNXUBDIR-JGVFFNPUSA-N 1 0 305.161 3.421 20 5 DGBDRO CC(C)(C)c1ccc(OC2CC3(C2)CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218060783 1094581044 /nfs/dbraw/zinc/58/10/44/1094581044.db2.gz ATZMYYCZQCPXBI-UHFFFAOYSA-N 1 0 304.390 3.413 20 5 DGBDRO c1ccc2c(c1)ccc1c2ccnc1OC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001218073507 1094587031 /nfs/dbraw/zinc/58/70/31/1094587031.db2.gz KOPBQBFBOPICES-OAHLLOKOSA-N 1 0 320.392 3.288 20 5 DGBDRO CC(C)(C)c1ccc(O[C@@H]2CSC3(C[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001218095683 1094599357 /nfs/dbraw/zinc/59/93/57/1094599357.db2.gz IXZSLCGMKIURJG-LBPRGKRZSA-N 1 0 322.430 3.119 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218098754 1094603298 /nfs/dbraw/zinc/60/32/98/1094603298.db2.gz QZKVIDSAMAATPH-RDJZCZTQSA-N 1 0 313.357 3.054 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218115596 1094613484 /nfs/dbraw/zinc/61/34/84/1094613484.db2.gz OGMZGNRGYZUUFS-STQMWFEESA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[C@]23CC[NH2+]C3)ccc1C(F)(F)F ZINC001218119845 1094618209 /nfs/dbraw/zinc/61/82/09/1094618209.db2.gz YWTLFVZVMVGWPD-QWHCGFSZSA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c(Cl)cc1F ZINC001218143949 1094629990 /nfs/dbraw/zinc/62/99/90/1094629990.db2.gz CLGAZGXQOFOYIN-VYUIOLGVSA-N 1 0 314.744 3.154 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1CCC12C[NH2+]C2 ZINC001218241736 1094674728 /nfs/dbraw/zinc/67/47/28/1094674728.db2.gz LNKHNWHSSQJGGS-JTQLQIEISA-N 1 0 303.145 3.032 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1C[C@@H]2CC[NH2+][C@H]2C1 ZINC001218249698 1094680999 /nfs/dbraw/zinc/68/09/99/1094680999.db2.gz YXVKXFOJDAXUOK-RNSXUZJQSA-N 1 0 317.172 3.421 20 5 DGBDRO F[C@@H]1[C@H]2CC[C@@H](C[C@H]1Oc1ccc3nc4ccccc4nc3c1)[NH2+]2 ZINC001218269888 1094689231 /nfs/dbraw/zinc/68/92/31/1094689231.db2.gz HTGBLMHHOIUIBH-COAODMOZSA-N 1 0 323.371 3.393 20 5 DGBDRO C[C@H]1CC[C@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218399065 1094750577 /nfs/dbraw/zinc/75/05/77/1094750577.db2.gz NOKNGLXNMGLNKO-WPRPVWTQSA-N 1 0 320.267 3.013 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1C[NH2+]CCC12CC2 ZINC001218404974 1094755902 /nfs/dbraw/zinc/75/59/02/1094755902.db2.gz QCVGOAINGFRMRF-NSHDSACASA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c(Cl)c1 ZINC001218459686 1094789227 /nfs/dbraw/zinc/78/92/27/1094789227.db2.gz HCFWQAOYUXLAEJ-VFWDIBGWSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218475081 1094798526 /nfs/dbraw/zinc/79/85/26/1094798526.db2.gz XWJKHZGAIYQICL-JOAULVNJSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2C[NH2+]Cc3ccccc32)c(F)c1 ZINC001218487410 1094816108 /nfs/dbraw/zinc/81/61/08/1094816108.db2.gz TWKQWRXVHYOTDE-AWEZNQCLSA-N 1 0 306.268 3.096 20 5 DGBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979066 1094918542 /nfs/dbraw/zinc/91/85/42/1094918542.db2.gz HFXAXNRFTYKSRF-TZMCWYRMSA-N 1 0 320.396 3.110 20 5 DGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000312221479 1094977475 /nfs/dbraw/zinc/97/74/75/1094977475.db2.gz AMMRTCMYOFJELT-LBPRGKRZSA-N 1 0 302.733 3.154 20 5 DGBDRO Cc1cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)ncc1[N+](=O)[O-] ZINC001171098219 1095356464 /nfs/dbraw/zinc/35/64/64/1095356464.db2.gz YTLJXWCNZTYRNC-LBPRGKRZSA-N 1 0 322.368 3.058 20 5 DGBDRO CC(=O)c1ccc(N[C@@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001116028340 1095440898 /nfs/dbraw/zinc/44/08/98/1095440898.db2.gz PAUGJFZPURHMBI-UKRRQHHQSA-N 1 0 305.378 3.082 20 5 DGBDRO CCCN1CCCC[C@H]1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC001116116088 1095459560 /nfs/dbraw/zinc/45/95/60/1095459560.db2.gz XFJVPOWYYJODBT-HNNXBMFYSA-N 1 0 324.352 3.042 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001116351516 1095522741 /nfs/dbraw/zinc/52/27/41/1095522741.db2.gz CXRXCQZKGVDPAX-UKPHBRMFSA-N 1 0 304.390 3.140 20 5 DGBDRO CC(C)(C)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC001116440556 1095551610 /nfs/dbraw/zinc/55/16/10/1095551610.db2.gz LLXVKFNWXABVJW-VURMDHGXSA-N 1 0 303.406 3.024 20 5 DGBDRO O=[N+]([O-])c1ccccc1COC1CCN(c2cc[nH+]cc2)CC1 ZINC001222759834 1095743591 /nfs/dbraw/zinc/74/35/91/1095743591.db2.gz IJPAVZSEOUCZQD-UHFFFAOYSA-N 1 0 313.357 3.175 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001118489465 1096021084 /nfs/dbraw/zinc/02/10/84/1096021084.db2.gz MIMKRIQDCDZLKK-MNUQUWEESA-N 1 0 312.316 3.298 20 5 DGBDRO C[C@H](C[N+](C)(C)C)OCc1cccc(NC(=O)OC(C)(C)C)n1 ZINC001223734186 1096047011 /nfs/dbraw/zinc/04/70/11/1096047011.db2.gz CPFFYUKPDHGFFR-CYBMUJFWSA-O 1 0 324.445 3.040 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c(F)c1 ZINC001118628475 1096049968 /nfs/dbraw/zinc/04/99/68/1096049968.db2.gz MAGKIBWBFZWEFA-JLLWLGSASA-N 1 0 300.280 3.257 20 5 DGBDRO Cc1c(C[NH+]2CC(CC3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC001119517490 1096219548 /nfs/dbraw/zinc/21/95/48/1096219548.db2.gz VBKZNDONFQMFKQ-UHFFFAOYSA-N 1 0 304.390 3.152 20 5 DGBDRO C[N+](C)(C)CCO[C@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001224772868 1096282768 /nfs/dbraw/zinc/28/27/68/1096282768.db2.gz CSNBULUSLJRRMJ-GOSISDBHSA-N 1 0 315.393 3.407 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001225667155 1096499367 /nfs/dbraw/zinc/49/93/67/1096499367.db2.gz PITYNSGXTLZCTF-UHFFFAOYSA-N 1 0 317.320 3.177 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)c(Br)c(F)c1 ZINC001225735191 1096516408 /nfs/dbraw/zinc/51/64/08/1096516408.db2.gz DUODDHVPEPNWRA-QMMMGPOBSA-N 1 0 309.174 3.201 20 5 DGBDRO O=[N+]([O-])c1cccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC001225794149 1096531579 /nfs/dbraw/zinc/53/15/79/1096531579.db2.gz JBUOQDMXFHFQHU-CQSZACIVSA-N 1 0 316.332 3.387 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC001225948847 1096571557 /nfs/dbraw/zinc/57/15/57/1096571557.db2.gz WEGHSOWQKBMKBG-HNNXBMFYSA-N 1 0 316.332 3.387 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001225956595 1096573588 /nfs/dbraw/zinc/57/35/88/1096573588.db2.gz NXOFMVSIPXWYBD-NSHDSACASA-N 1 0 318.295 3.477 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001226007536 1096588007 /nfs/dbraw/zinc/58/80/07/1096588007.db2.gz PIGSKRWWJPYXQI-CQSZACIVSA-N 1 0 316.332 3.387 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226312840 1096659517 /nfs/dbraw/zinc/65/95/17/1096659517.db2.gz FMDNMWSYQPFLJQ-NSHDSACASA-N 1 0 318.295 3.477 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC1CCC([NH+](C)C)CC1 ZINC001226532730 1096715689 /nfs/dbraw/zinc/71/56/89/1096715689.db2.gz XENKRVZKYPRYDO-UHFFFAOYSA-N 1 0 306.362 3.049 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001226743330 1096765668 /nfs/dbraw/zinc/76/56/68/1096765668.db2.gz CVTXYLASWKHWNI-HOMQSWHASA-N 1 0 300.305 3.125 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1nc2cc(Br)ccc2o1 ZINC001227098901 1096868333 /nfs/dbraw/zinc/86/83/33/1096868333.db2.gz QSOLAAUSLZCYSL-SECBINFHSA-N 1 0 314.203 3.064 20 5 DGBDRO Cc1cnc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC001227237333 1096902373 /nfs/dbraw/zinc/90/23/73/1096902373.db2.gz SZZPLBNGFWFTDK-WDNDVIMCSA-N 1 0 305.378 3.081 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC001171653647 1096940200 /nfs/dbraw/zinc/94/02/00/1096940200.db2.gz LVFNRDYQATUXMD-XJKSGUPXSA-N 1 0 305.422 3.318 20 5 DGBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1Br ZINC001227931900 1097015754 /nfs/dbraw/zinc/01/57/54/1097015754.db2.gz HEQFGVRPWLMHLB-SNVBAGLBSA-N 1 0 315.231 3.125 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001228136959 1097060289 /nfs/dbraw/zinc/06/02/89/1097060289.db2.gz AVGIZBITTCOAID-UHFFFAOYSA-N 1 0 315.373 3.395 20 5 DGBDRO CC[N@@H+]1CC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228152792 1097063324 /nfs/dbraw/zinc/06/33/24/1097063324.db2.gz SWVUOEWKHLHPDI-MRVPVSSYSA-N 1 0 305.161 3.375 20 5 DGBDRO CC[N@@H+]1CC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228152793 1097063592 /nfs/dbraw/zinc/06/35/92/1097063592.db2.gz SWVUOEWKHLHPDI-QMMMGPOBSA-N 1 0 305.161 3.375 20 5 DGBDRO COC(=O)Nc1cccc2ccc(O[C@@H](C)C[N+](C)(C)C)cc21 ZINC001228172251 1097067249 /nfs/dbraw/zinc/06/72/49/1097067249.db2.gz CQCCVSAOXSWETJ-ZDUSSCGKSA-O 1 0 317.409 3.492 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001228179545 1097068545 /nfs/dbraw/zinc/06/85/45/1097068545.db2.gz IRVQHDIFMHDLFG-AWEZNQCLSA-N 1 0 309.365 3.419 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228212650 1097075022 /nfs/dbraw/zinc/07/50/22/1097075022.db2.gz RCQZEOISQDUIQT-NSHDSACASA-N 1 0 307.375 3.068 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228212649 1097075039 /nfs/dbraw/zinc/07/50/39/1097075039.db2.gz RCQZEOISQDUIQT-LLVKDONJSA-N 1 0 307.375 3.068 20 5 DGBDRO COCCC[NH+]1CCC(Oc2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC001228572050 1097145062 /nfs/dbraw/zinc/14/50/62/1097145062.db2.gz VGCDWGAMMIFAJY-UHFFFAOYSA-N 1 0 322.405 3.091 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ccncc2c1Br ZINC001228671631 1097163809 /nfs/dbraw/zinc/16/38/09/1097163809.db2.gz JRNDVISFLFHAAV-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO Cc1cc2[nH]c(O[C@H]3CCC[N@@H+](C(C)C)C3)nc2cc1[N+](=O)[O-] ZINC001228673491 1097164463 /nfs/dbraw/zinc/16/44/63/1097164463.db2.gz GUQXVSKKPSCSSW-LBPRGKRZSA-N 1 0 318.377 3.031 20 5 DGBDRO Cc1c(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001203181578 1097209055 /nfs/dbraw/zinc/20/90/55/1097209055.db2.gz ZWHMINUWOMMBRI-MRXNPFEDSA-N 1 0 317.433 3.400 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228931481 1097219957 /nfs/dbraw/zinc/21/99/57/1097219957.db2.gz VXUPNKFLSIQICH-JTQLQIEISA-N 1 0 318.295 3.477 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1nccc2ccc([N+](=O)[O-])cc21 ZINC001229005423 1097235537 /nfs/dbraw/zinc/23/55/37/1097235537.db2.gz ICGARZNAOUNROZ-GFCCVEGCSA-N 1 0 303.362 3.252 20 5 DGBDRO CCCOCCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901831 1097268189 /nfs/dbraw/zinc/26/81/89/1097268189.db2.gz PTUZAWRPGPAQQE-INIZCTEOSA-N 1 0 306.406 3.249 20 5 DGBDRO CC(C)(CO)CCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900494 1097268210 /nfs/dbraw/zinc/26/82/10/1097268210.db2.gz UMXYJUJJBHRVPC-MRXNPFEDSA-N 1 0 320.433 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC3(C1)CCCCO3)CC2 ZINC001172903976 1097269305 /nfs/dbraw/zinc/26/93/05/1097269305.db2.gz KOEIBZLCBJSTFO-INIZCTEOSA-N 1 0 316.401 3.097 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccno1 ZINC001172907073 1097269321 /nfs/dbraw/zinc/26/93/21/1097269321.db2.gz CNNZOALBRUTLHL-BXUZGUMPSA-N 1 0 301.346 3.181 20 5 DGBDRO CCC[N@H+](CCOC)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907681 1097270266 /nfs/dbraw/zinc/27/02/66/1097270266.db2.gz HNDVFHKWVUHRCP-MRXNPFEDSA-N 1 0 306.406 3.201 20 5 DGBDRO Cc1cnccc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896629 1097278094 /nfs/dbraw/zinc/27/80/94/1097278094.db2.gz PVBPXSWDXUBRMO-KRWDZBQOSA-N 1 0 311.385 3.335 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@]13CCOC3)CC2 ZINC001172920076 1097280720 /nfs/dbraw/zinc/28/07/20/1097280720.db2.gz IHWPYKJWMMVPTJ-AEFFLSMTSA-N 1 0 316.401 3.097 20 5 DGBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922593 1097281766 /nfs/dbraw/zinc/28/17/66/1097281766.db2.gz ZBMBELNOGFYLLH-WBVHZDCISA-N 1 0 318.417 3.078 20 5 DGBDRO CC(C)(O)[C@H]1CCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922591 1097281817 /nfs/dbraw/zinc/28/18/17/1097281817.db2.gz ZBMBELNOGFYLLH-NVXWUHKLSA-N 1 0 318.417 3.078 20 5 DGBDRO CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909584 1097291661 /nfs/dbraw/zinc/29/16/61/1097291661.db2.gz SYPKULOSOIQELL-NUJGCVRESA-N 1 0 318.417 3.389 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229344216 1097301850 /nfs/dbraw/zinc/30/18/50/1097301850.db2.gz SNNNOXIXDVZNKU-CQSZACIVSA-N 1 0 301.346 3.005 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC001229395480 1097311699 /nfs/dbraw/zinc/31/16/99/1097311699.db2.gz IPOIMTGFZGVWGR-INIZCTEOSA-N 1 0 316.357 3.372 20 5 DGBDRO Cc1cc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc(C)c1[N+](=O)[O-] ZINC001229470373 1097326770 /nfs/dbraw/zinc/32/67/70/1097326770.db2.gz PKUDYEUPDZSKSL-HALDLXJZSA-N 1 0 304.390 3.321 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)C2CCC2)c1F ZINC001173181453 1097357109 /nfs/dbraw/zinc/35/71/09/1097357109.db2.gz WLXZQXIIDQECSQ-WDEREUQCSA-N 1 0 310.369 3.452 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(C)CCC2)c1F ZINC001173180373 1097357232 /nfs/dbraw/zinc/35/72/32/1097357232.db2.gz VVUVBOSHOVMOPQ-NSHDSACASA-N 1 0 310.369 3.453 20 5 DGBDRO COc1ccccc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216071 1097367988 /nfs/dbraw/zinc/36/79/88/1097367988.db2.gz JYWLSNDRWVRBIF-ZDUSSCGKSA-N 1 0 300.358 3.324 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1ccccc1 ZINC001173217355 1097368485 /nfs/dbraw/zinc/36/84/85/1097368485.db2.gz ULGBDOKJYAXIEU-AWEZNQCLSA-N 1 0 300.358 3.194 20 5 DGBDRO C[C@@H](CCCC(C)(C)O)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218095 1097369813 /nfs/dbraw/zinc/36/98/13/1097369813.db2.gz OHZKHZHGIUVSES-KBPBESRZSA-N 1 0 308.422 3.445 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC001173218041 1097369692 /nfs/dbraw/zinc/36/96/92/1097369692.db2.gz AMLAOCSYRPGETQ-ZFWWWQNUSA-N 1 0 306.406 3.321 20 5 DGBDRO CC(C)Cn1cnc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173220701 1097372142 /nfs/dbraw/zinc/37/21/42/1097372142.db2.gz DXIOMXNKPBJCKV-CQSZACIVSA-N 1 0 316.405 3.168 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](C)(O)[C@H](C)C1 ZINC001173221671 1097372385 /nfs/dbraw/zinc/37/23/85/1097372385.db2.gz LFJBQJLDOGSVAW-CPUCHLNUSA-N 1 0 306.406 3.009 20 5 DGBDRO CC(C)Cn1cnc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173220692 1097372505 /nfs/dbraw/zinc/37/25/05/1097372505.db2.gz DXIOMXNKPBJCKV-AWEZNQCLSA-N 1 0 316.405 3.168 20 5 DGBDRO CCCCC[NH+]1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173226312 1097374627 /nfs/dbraw/zinc/37/46/27/1097374627.db2.gz IBVRYOAONBWTMU-MRXNPFEDSA-N 1 0 319.449 3.334 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCOC2)CC1 ZINC001173225399 1097375147 /nfs/dbraw/zinc/37/51/47/1097375147.db2.gz JRWQDVBXTXQRCV-AWEZNQCLSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001173225495 1097375337 /nfs/dbraw/zinc/37/53/37/1097375337.db2.gz KDLZRYLCHMEJAV-KBRIMQKVSA-N 1 0 316.401 3.359 20 5 DGBDRO Cc1ncsc1CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230103 1097376354 /nfs/dbraw/zinc/37/63/54/1097376354.db2.gz QODINEFVWCJKMF-LLVKDONJSA-N 1 0 305.403 3.123 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001173228922 1097376489 /nfs/dbraw/zinc/37/64/89/1097376489.db2.gz LHHPEWQGISSPBN-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001173227867 1097376504 /nfs/dbraw/zinc/37/65/04/1097376504.db2.gz SEYZHOMCCWVYMY-GUYCJALGSA-N 1 0 312.373 3.153 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC(=O)OC(C)(C)C ZINC001173233113 1097377347 /nfs/dbraw/zinc/37/73/47/1097377347.db2.gz HBGKBANTCMKSOA-CYBMUJFWSA-N 1 0 322.405 3.237 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH3+])c2ccccc21 ZINC001173235480 1097378159 /nfs/dbraw/zinc/37/81/59/1097378159.db2.gz TZDVQTOSSOIHOK-GUYCJALGSA-N 1 0 311.385 3.436 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cccc(F)c1 ZINC001173213018 1097381699 /nfs/dbraw/zinc/38/16/99/1097381699.db2.gz CETSIRGSCFLMHO-ZDUSSCGKSA-N 1 0 302.349 3.497 20 5 DGBDRO CC(C)[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001173238392 1097394251 /nfs/dbraw/zinc/39/42/51/1097394251.db2.gz RDIBEKKGKFRCFL-AWEZNQCLSA-N 1 0 306.406 3.415 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229830421 1097395093 /nfs/dbraw/zinc/39/50/93/1097395093.db2.gz CHTORZMXLQKZJQ-LLVKDONJSA-N 1 0 304.268 3.087 20 5 DGBDRO CC[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229832023 1097395687 /nfs/dbraw/zinc/39/56/87/1097395687.db2.gz PGCUCEBHIHMJAN-NSHDSACASA-N 1 0 304.268 3.087 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2cc3n[nH]cc3cc2[N+](=O)[O-])CC1 ZINC001230601345 1097527270 /nfs/dbraw/zinc/52/72/70/1097527270.db2.gz MMUPIHIJDDVUDE-UHFFFAOYSA-N 1 0 318.377 3.113 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001230766280 1097577644 /nfs/dbraw/zinc/57/76/44/1097577644.db2.gz LLUCKKAOFYWRAL-QMMMGPOBSA-N 1 0 308.185 3.375 20 5 DGBDRO C[NH+]1CCC(Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC001230768501 1097578445 /nfs/dbraw/zinc/57/84/45/1097578445.db2.gz LFPYHQCTHSUBNZ-UHFFFAOYSA-N 1 0 305.161 3.375 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231156755 1097684013 /nfs/dbraw/zinc/68/40/13/1097684013.db2.gz PMWVNOLSOQEJFU-CYBMUJFWSA-N 1 0 301.346 3.006 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)C1 ZINC001231331072 1097724315 /nfs/dbraw/zinc/72/43/15/1097724315.db2.gz FBZYHXHTKVUSEW-HNNXBMFYSA-N 1 0 324.380 3.154 20 5 DGBDRO C[NH+](C)CCOc1cc(F)ccc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174480427 1097741655 /nfs/dbraw/zinc/74/16/55/1097741655.db2.gz UFOPLTFVMGLDGW-UHFFFAOYSA-N 1 0 319.336 3.418 20 5 DGBDRO OC[C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232218017 1097969806 /nfs/dbraw/zinc/96/98/06/1097969806.db2.gz CNYYNODDRPKXKX-HNNXBMFYSA-N 1 0 321.424 3.377 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@]1(C)O ZINC001232219537 1097971528 /nfs/dbraw/zinc/97/15/28/1097971528.db2.gz VFKLDUKMYDCZSN-VLIAUNLRSA-N 1 0 321.424 3.376 20 5 DGBDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219091 1097972184 /nfs/dbraw/zinc/97/21/84/1097972184.db2.gz QNBMLIHRCRXTGS-LSDHHAIUSA-N 1 0 321.424 3.376 20 5 DGBDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc2ccc3cccnc3c2n1 ZINC001232227691 1097974909 /nfs/dbraw/zinc/97/49/09/1097974909.db2.gz LRCRPWDQKSEYAY-ROUUACIJSA-N 1 0 318.424 3.061 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001176035868 1098238644 /nfs/dbraw/zinc/23/86/44/1098238644.db2.gz FVVSSEJNDMOMJZ-JGGQBBKZSA-N 1 0 320.389 3.225 20 5 DGBDRO CC(=O)c1cc(OC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001233502039 1098354273 /nfs/dbraw/zinc/35/42/73/1098354273.db2.gz NJZDVWNTFKUTEK-UHFFFAOYSA-N 1 0 306.362 3.049 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC001233747462 1098421175 /nfs/dbraw/zinc/42/11/75/1098421175.db2.gz RGGWBAVYTPWXCO-SECBINFHSA-N 1 0 321.299 3.118 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCCC[C@]23CCCOC3)cc1[N+](=O)[O-] ZINC001177015963 1098462892 /nfs/dbraw/zinc/46/28/92/1098462892.db2.gz UKLUQVKXFNKJMM-QGZVFWFLSA-N 1 0 304.390 3.438 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cncc(OCc2ccccc2)c1 ZINC001234294555 1098531301 /nfs/dbraw/zinc/53/13/01/1098531301.db2.gz RIDKQUYZXCHTAE-OAHLLOKOSA-N 1 0 301.410 3.134 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](OCC[NH+]2CCCC2)C(F)(F)F)cc1 ZINC001206309145 1098591451 /nfs/dbraw/zinc/59/14/51/1098591451.db2.gz LKOUTQTVEPPQGL-ZDUSSCGKSA-N 1 0 318.295 3.311 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234675968 1098643166 /nfs/dbraw/zinc/64/31/66/1098643166.db2.gz GWHOKHNYUZRWEJ-ZDUSSCGKSA-N 1 0 315.373 3.395 20 5 DGBDRO Cc1nccc([N+](=O)[O-])c1O[C@H](CC[NH+](C)C)c1ccccc1 ZINC001234901359 1098702098 /nfs/dbraw/zinc/70/20/98/1098702098.db2.gz PJVSICRRFJFEKQ-MRXNPFEDSA-N 1 0 315.373 3.370 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(=O)OC(C)(C)C ZINC001178317920 1098792625 /nfs/dbraw/zinc/79/26/25/1098792625.db2.gz SQWUCFBDGLATHW-UHFFFAOYSA-N 1 0 308.378 3.033 20 5 DGBDRO C[N@@H+](Cc1c2ccccc2cc2ccccc21)C[C@H]1COCCN1 ZINC001235962665 1099293330 /nfs/dbraw/zinc/29/33/30/1099293330.db2.gz NZGPPWZAGJDDGK-SFHVURJKSA-N 1 0 320.436 3.413 20 5 DGBDRO CC(C)C[C@@H](C)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001180497459 1099444119 /nfs/dbraw/zinc/44/41/19/1099444119.db2.gz LILSKYHOGUIHQW-OAHLLOKOSA-N 1 0 305.422 3.399 20 5 DGBDRO CCCCC1([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001198555542 1101918923 /nfs/dbraw/zinc/91/89/23/1101918923.db2.gz ZXFJPPKIAHFOIB-LBPRGKRZSA-N 1 0 305.378 3.234 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC001200942488 1102453971 /nfs/dbraw/zinc/45/39/71/1102453971.db2.gz SMCMXJJPPSHDIT-SJORKVTESA-N 1 0 322.405 3.024 20 5 DGBDRO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC001325785810 1103124575 /nfs/dbraw/zinc/12/45/75/1103124575.db2.gz NLQMIRPTHBDZCC-NXEZZACHSA-N 1 0 313.195 3.445 20 5 DGBDRO CC[NH+](CC)C1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC001327617162 1103693122 /nfs/dbraw/zinc/69/31/22/1103693122.db2.gz JAQJFCAHFNDZMP-UHFFFAOYSA-N 1 0 309.385 3.353 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001327983968 1103793678 /nfs/dbraw/zinc/79/36/78/1103793678.db2.gz YDRXCGOKQGQXSS-HZPDHXFCSA-N 1 0 314.389 3.428 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001329976436 1104442300 /nfs/dbraw/zinc/44/23/00/1104442300.db2.gz MQCAIBSSFHHVJG-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650099 1104647820 /nfs/dbraw/zinc/64/78/20/1104647820.db2.gz GUTUZAMHGNTQSS-QAPCUYQASA-N 1 0 317.433 3.134 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1Cl ZINC001330852435 1104662524 /nfs/dbraw/zinc/66/25/24/1104662524.db2.gz ZZBCBWYVWNTCPF-ILWJIGKKSA-N 1 0 302.708 3.382 20 5 DGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1c[nH+]ccc1N1CCCCC1 ZINC001249544819 1105308879 /nfs/dbraw/zinc/30/88/79/1105308879.db2.gz MTZSQGYRJRGODB-UHFFFAOYSA-N 1 0 313.361 3.427 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(Cl)s1 ZINC001254531686 1105454569 /nfs/dbraw/zinc/45/45/69/1105454569.db2.gz GXHVRJTZWLOIMT-SECBINFHSA-N 1 0 311.794 3.426 20 5 DGBDRO C[NH+](C)Cc1ccc2[nH]c(-c3ccc([N+](=O)[O-])c(F)c3)nc2c1 ZINC001250780609 1105582090 /nfs/dbraw/zinc/58/20/90/1105582090.db2.gz CWZDYPJOGDMLHP-UHFFFAOYSA-N 1 0 314.320 3.339 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC001254184783 1106030294 /nfs/dbraw/zinc/03/02/94/1106030294.db2.gz QYNKFGDBOKIKTE-CABCVRRESA-N 1 0 311.813 3.211 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC001254184798 1106030660 /nfs/dbraw/zinc/03/06/60/1106030660.db2.gz QYNKFGDBOKIKTE-LSDHHAIUSA-N 1 0 311.813 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCC(F)CC3)CC2)cc1 ZINC001254465092 1106076908 /nfs/dbraw/zinc/07/69/08/1106076908.db2.gz SWUUNIBAQARTIR-UHFFFAOYSA-N 1 0 321.396 3.434 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])c1ccc(F)c(F)c1 ZINC001254536077 1106097676 /nfs/dbraw/zinc/09/76/76/1106097676.db2.gz NFLHBLDCJHTNQB-JTQLQIEISA-N 1 0 319.311 3.419 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])c1ccc(F)c(F)c1 ZINC001254536078 1106098072 /nfs/dbraw/zinc/09/80/72/1106098072.db2.gz NFLHBLDCJHTNQB-SNVBAGLBSA-N 1 0 319.311 3.419 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCCCC1 ZINC001254539007 1106098880 /nfs/dbraw/zinc/09/88/80/1106098880.db2.gz CVKVXHWTDXQFDP-XJKSGUPXSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccncc1Cl ZINC001254542419 1106099437 /nfs/dbraw/zinc/09/94/37/1106099437.db2.gz NAQAQUOYENKMAQ-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])c1cccnc1Cl ZINC001254542856 1106099648 /nfs/dbraw/zinc/09/96/48/1106099648.db2.gz OVOKNTJGUNRWEB-JTQLQIEISA-N 1 0 318.764 3.189 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@](C)(O)CC1 ZINC001254551853 1106101129 /nfs/dbraw/zinc/10/11/29/1106101129.db2.gz GKRHRNBCUJGBOV-CKEIUWERSA-N 1 0 306.406 3.009 20 5 DGBDRO Cc1nc2ccccn2c1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254551108 1106101149 /nfs/dbraw/zinc/10/11/49/1106101149.db2.gz YAPZRCJJDWQPAH-ZDUSSCGKSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccc(F)cc2C1 ZINC001254549358 1106101419 /nfs/dbraw/zinc/10/14/19/1106101419.db2.gz SIGZGXNCHGRZAS-YVEFUNNKSA-N 1 0 314.360 3.422 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001254562363 1106104062 /nfs/dbraw/zinc/10/40/62/1106104062.db2.gz KXCDXWXAWKVNBR-ZBFHGGJFSA-N 1 0 311.385 3.410 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ncsc2C1 ZINC001254560047 1106104458 /nfs/dbraw/zinc/10/44/58/1106104458.db2.gz OTGAQZXTHDDIDQ-NSHDSACASA-N 1 0 303.387 3.041 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001254562606 1106104491 /nfs/dbraw/zinc/10/44/91/1106104491.db2.gz NZXDGRSETRUMBH-GUYCJALGSA-N 1 0 312.373 3.153 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(F)cc1F)C2 ZINC001254566152 1106104805 /nfs/dbraw/zinc/10/48/05/1106104805.db2.gz IHRIHTIPKIFFDY-CQSZACIVSA-N 1 0 304.296 3.130 20 5 DGBDRO Cn1ccc2cc(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)ccc21 ZINC001254567408 1106104926 /nfs/dbraw/zinc/10/49/26/1106104926.db2.gz NITQYIBRUFTQJG-QGZVFWFLSA-N 1 0 321.380 3.344 20 5 DGBDRO Cn1ccc2cc(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)ccc21 ZINC001254567407 1106105070 /nfs/dbraw/zinc/10/50/70/1106105070.db2.gz NITQYIBRUFTQJG-KRWDZBQOSA-N 1 0 321.380 3.344 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1ccc(F)cc1)C2 ZINC001254567941 1106105754 /nfs/dbraw/zinc/10/57/54/1106105754.db2.gz RIIGHZJAPIDMOT-INIZCTEOSA-N 1 0 300.333 3.033 20 5 DGBDRO Cc1ccccc1OCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573289 1106106717 /nfs/dbraw/zinc/10/67/17/1106106717.db2.gz XGPBWTDQYBUCLN-INIZCTEOSA-N 1 0 312.369 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(F)c(F)c1F)C2 ZINC001254573444 1106106813 /nfs/dbraw/zinc/10/68/13/1106106813.db2.gz ZPUWTGZAVHUPOV-GFCCVEGCSA-N 1 0 322.286 3.269 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc(F)c(F)cc1F)C2 ZINC001254573379 1106106934 /nfs/dbraw/zinc/10/69/34/1106106934.db2.gz YSDRMBSTFBEYRJ-GFCCVEGCSA-N 1 0 322.286 3.269 20 5 DGBDRO Cc1c(F)ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1F ZINC001254579621 1106107694 /nfs/dbraw/zinc/10/76/94/1106107694.db2.gz UNJAEYDTNHGNCZ-AWEZNQCLSA-N 1 0 318.323 3.438 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCc3cc(F)ccc31)C2 ZINC001254578224 1106107758 /nfs/dbraw/zinc/10/77/58/1106107758.db2.gz BSXZGKWJWFPDEW-YJBOKZPZSA-N 1 0 312.344 3.478 20 5 DGBDRO CC(C)(Cc1ccccn1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586499 1106108915 /nfs/dbraw/zinc/10/89/15/1106108915.db2.gz KMFWFEGJQUGWFO-MRXNPFEDSA-N 1 0 311.385 3.068 20 5 DGBDRO CC(C)(Cc1ccncc1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254587994 1106109292 /nfs/dbraw/zinc/10/92/92/1106109292.db2.gz ULIWFNPCVXBWAM-INIZCTEOSA-N 1 0 311.385 3.068 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCc3c1cccc3O)C2 ZINC001254589784 1106109964 /nfs/dbraw/zinc/10/99/64/1106109964.db2.gz RAVLVCRTKGISSO-SUMWQHHRSA-N 1 0 310.353 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H]1c1nccs1)C2 ZINC001254604895 1106111556 /nfs/dbraw/zinc/11/15/56/1106111556.db2.gz YFMFRGZLMOFICN-CABCVRRESA-N 1 0 315.398 3.356 20 5 DGBDRO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254607738 1106112504 /nfs/dbraw/zinc/11/25/04/1106112504.db2.gz MTMDTAIXHORPCT-MRXNPFEDSA-N 1 0 318.323 3.472 20 5 DGBDRO CC[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256081990 1106367331 /nfs/dbraw/zinc/36/73/31/1106367331.db2.gz HLJBEZADPWGKFC-ZDUSSCGKSA-N 1 0 321.421 3.208 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001321635724 1107399594 /nfs/dbraw/zinc/39/95/94/1107399594.db2.gz GTBUALKMGGUZIT-HIFRSBDPSA-N 1 0 311.813 3.211 20 5 DGBDRO CC[N@@H+](Cc1ccccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001322885078 1107774310 /nfs/dbraw/zinc/77/43/10/1107774310.db2.gz GARVIHLYHXTVIZ-KRWDZBQOSA-N 1 0 318.348 3.289 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC001318790488 1108198495 /nfs/dbraw/zinc/19/84/95/1108198495.db2.gz DEFSHHZZWREBCB-GXTWGEPZSA-N 1 0 310.419 3.319 20 5 DGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)nc(C)c2)c1 ZINC001319179698 1108352955 /nfs/dbraw/zinc/35/29/55/1108352955.db2.gz IMGKIHPMCYKTBK-UHFFFAOYSA-N 1 0 317.370 3.003 20 5 DGBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001319401227 1108447422 /nfs/dbraw/zinc/44/74/22/1108447422.db2.gz WWSKPRFXMKRTTR-UHFFFAOYSA-N 1 0 314.769 3.022 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC001319846615 1108661549 /nfs/dbraw/zinc/66/15/49/1108661549.db2.gz TWHVLCMXTGRCCX-INIZCTEOSA-N 1 0 316.332 3.046 20 5 DGBDRO C[C@H]1CCSCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307739767 1111334328 /nfs/dbraw/zinc/33/43/28/1111334328.db2.gz GMVRNHZKJWHJOB-ZDUSSCGKSA-N 1 0 310.419 3.191 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001307854825 1111347274 /nfs/dbraw/zinc/34/72/74/1111347274.db2.gz XAQWWPVRLQWGDZ-ZIAGYGMSSA-N 1 0 308.426 3.246 20 5 DGBDRO COC[C@@H]1CCCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001308664861 1111457420 /nfs/dbraw/zinc/45/74/20/1111457420.db2.gz BFOBSJASZPXUHU-OAHLLOKOSA-N 1 0 306.406 3.460 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2cccnc2o1 ZINC001308712734 1111465363 /nfs/dbraw/zinc/46/53/63/1111465363.db2.gz RXNRDFWWYYNAAY-UHFFFAOYSA-N 1 0 311.341 3.411 20 5 DGBDRO CC1(C)CC[N@H+](CCNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001308975449 1111502869 /nfs/dbraw/zinc/50/28/69/1111502869.db2.gz UCIFADYFYAYBME-UHFFFAOYSA-N 1 0 311.813 3.070 20 5 DGBDRO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272850707 210247908 /nfs/dbraw/zinc/24/79/08/210247908.db2.gz HHJPDOPRWCAIFU-OLZOCXBDSA-N 1 0 304.394 3.055 20 5 DGBDRO C[C@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000309927017 231106484 /nfs/dbraw/zinc/10/64/84/231106484.db2.gz XQALUTNZAQIOQO-DZGCQCFKSA-N 1 0 312.373 3.065 20 5 DGBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000278747076 214372427 /nfs/dbraw/zinc/37/24/27/214372427.db2.gz RPPXPYRUPTUEHG-UHFFFAOYSA-N 1 0 312.373 3.066 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000317473659 231161510 /nfs/dbraw/zinc/16/15/10/231161510.db2.gz QWHBZMHPSYDZHS-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000319368374 231184284 /nfs/dbraw/zinc/18/42/84/231184284.db2.gz YKJBJCVJCWKCOG-USXIJHARSA-N 1 0 304.390 3.029 20 5 DGBDRO CC[C@H]([NH2+]Cc1cccn(CC)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000433097293 529632950 /nfs/dbraw/zinc/63/29/50/529632950.db2.gz LUKBJTOSIBIDMF-INIZCTEOSA-N 1 0 315.373 3.017 20 5 DGBDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090217351 185287053 /nfs/dbraw/zinc/28/70/53/185287053.db2.gz NZEWKUVTMWRUHS-KBPBESRZSA-N 1 0 321.421 3.201 20 5 DGBDRO COC[C@@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000272804389 210206389 /nfs/dbraw/zinc/20/63/89/210206389.db2.gz FPTONJGIRRHYIJ-CYBMUJFWSA-N 1 0 315.373 3.314 20 5 DGBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297461570 529939898 /nfs/dbraw/zinc/93/98/98/529939898.db2.gz IBDDQBPAROAYMD-IRXDYDNUSA-N 1 0 314.389 3.059 20 5 DGBDRO C[NH+]1CCC(C)(CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000324061937 530048403 /nfs/dbraw/zinc/04/84/03/530048403.db2.gz IQJMNPXAVKJMGR-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000301084474 530055160 /nfs/dbraw/zinc/05/51/60/530055160.db2.gz DGULWPLKNRHQIF-JTQLQIEISA-N 1 0 317.311 3.367 20 5 DGBDRO COCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000330792413 232072244 /nfs/dbraw/zinc/07/22/44/232072244.db2.gz BLFHIDLNFKYQPK-UHFFFAOYSA-N 1 0 312.797 3.497 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000279709595 215080111 /nfs/dbraw/zinc/08/01/11/215080111.db2.gz KMZKUOOCBNSVBM-IXDOHACOSA-N 1 0 316.401 3.075 20 5 DGBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279818881 215172358 /nfs/dbraw/zinc/17/23/58/215172358.db2.gz QIZAQWPDDDJZOW-WCQYABFASA-N 1 0 312.797 3.374 20 5 DGBDRO CC(C)[NH+](CCNc1ncnc2sc([N+](=O)[O-])cc21)C(C)C ZINC000287134857 219336411 /nfs/dbraw/zinc/33/64/11/219336411.db2.gz XBQBKDLGKXWGFH-UHFFFAOYSA-N 1 0 323.422 3.130 20 5 DGBDRO C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173374542 186181008 /nfs/dbraw/zinc/18/10/08/186181008.db2.gz KBBHZUBJPPGHPV-LBPRGKRZSA-N 1 0 323.393 3.112 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCOCC1CC1)C1CC1 ZINC000268739019 186373417 /nfs/dbraw/zinc/37/34/17/186373417.db2.gz PFVZMMZGZFYKIE-QGZVFWFLSA-N 1 0 318.417 3.322 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000280092572 215369565 /nfs/dbraw/zinc/36/95/65/215369565.db2.gz ZGDVPKWGMQNZIZ-DVZHBHJUSA-N 1 0 320.389 3.223 20 5 DGBDRO CCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CC1 ZINC000072950276 191255160 /nfs/dbraw/zinc/25/51/60/191255160.db2.gz JGGOWAIGILBNCX-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173431614 198214748 /nfs/dbraw/zinc/21/47/48/198214748.db2.gz MLZXPEIUOIJISQ-QWRGUYRKSA-N 1 0 303.362 3.481 20 5 DGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173386067 198209341 /nfs/dbraw/zinc/20/93/41/198209341.db2.gz SPWXMMZRMVVXJW-OLZOCXBDSA-N 1 0 302.378 3.087 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000182057768 199380248 /nfs/dbraw/zinc/38/02/48/199380248.db2.gz BGKNALAAZWHZPR-LLVKDONJSA-N 1 0 310.781 3.249 20 5 DGBDRO CCOc1cccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000236948754 202088755 /nfs/dbraw/zinc/08/87/55/202088755.db2.gz OJSAOXUHCBPFMQ-UHFFFAOYSA-N 1 0 316.357 3.292 20 5 DGBDRO CN(C)[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000237153966 202169187 /nfs/dbraw/zinc/16/91/87/202169187.db2.gz YSSLOFFYKGGBBY-WHWKNOJMSA-N 1 0 315.373 3.094 20 5 DGBDRO CC(C)[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000276907005 213166821 /nfs/dbraw/zinc/16/68/21/213166821.db2.gz OFNYQENPPHNZFW-CJNGLKHVSA-N 1 0 308.422 3.301 20 5 DGBDRO C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000179582086 199058698 /nfs/dbraw/zinc/05/86/98/199058698.db2.gz JTWLDTDVQLCGOJ-QWRGUYRKSA-N 1 0 306.387 3.355 20 5 DGBDRO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180422728 199157219 /nfs/dbraw/zinc/15/72/19/199157219.db2.gz KPDVQJVDXZTTNL-ZIAGYGMSSA-N 1 0 321.421 3.138 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(C3CC3)s2)cc1 ZINC000134285079 432075963 /nfs/dbraw/zinc/07/59/63/432075963.db2.gz HANHOZZGSBASEA-UHFFFAOYSA-N 1 0 303.387 3.261 20 5 DGBDRO C[C@H](CO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237389539 202251355 /nfs/dbraw/zinc/25/13/55/202251355.db2.gz GVMGILJJQQMWNQ-NSHDSACASA-N 1 0 306.387 3.041 20 5 DGBDRO CCOCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180149789 432078783 /nfs/dbraw/zinc/07/87/83/432078783.db2.gz BKTXAHCZTYCHAU-QGZVFWFLSA-N 1 0 300.358 3.310 20 5 DGBDRO COc1ccc(C[N@@H+]2CCCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000134579915 432079652 /nfs/dbraw/zinc/07/96/52/432079652.db2.gz UBPLMXDGPPFGNN-CYBMUJFWSA-N 1 0 310.419 3.321 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CCOCC2)c2ccccc2)c1 ZINC000180170705 432079869 /nfs/dbraw/zinc/07/98/69/432079869.db2.gz ZZICRARYUXXCHM-SFHVURJKSA-N 1 0 312.369 3.453 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(COC)CC1 ZINC000419826129 237684013 /nfs/dbraw/zinc/68/40/13/237684013.db2.gz WECLCRFLHSVVQP-UHFFFAOYSA-N 1 0 322.405 3.288 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[C@@H](O)C3)o2)cc1 ZINC000188843769 200311944 /nfs/dbraw/zinc/31/19/44/200311944.db2.gz OHLCOSGGSBFTMQ-SWLSCSKDSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000428556383 238025182 /nfs/dbraw/zinc/02/51/82/238025182.db2.gz FOWCNTWPYNSDKE-IJVDHGTGSA-N 1 0 310.353 3.071 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429584354 238056609 /nfs/dbraw/zinc/05/66/09/238056609.db2.gz DTDNTGCHQOHHOC-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccncc1CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000429841029 238061858 /nfs/dbraw/zinc/06/18/58/238061858.db2.gz QBDOPEQNLKTPBI-UHFFFAOYSA-N 1 0 311.385 3.289 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1cccs1 ZINC000430224868 238071744 /nfs/dbraw/zinc/07/17/44/238071744.db2.gz KGBKNBRJYAQMRT-UHFFFAOYSA-N 1 0 306.387 3.339 20 5 DGBDRO C[NH+](C)[C@@]1(CNc2c(Cl)cccc2[N+](=O)[O-])CCSC1 ZINC000432309589 238124475 /nfs/dbraw/zinc/12/44/75/238124475.db2.gz BKLBAZPSQAKFEC-CYBMUJFWSA-N 1 0 315.826 3.097 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)CC1CCC1)CCC2 ZINC000281299848 216221943 /nfs/dbraw/zinc/22/19/43/216221943.db2.gz YOLHSHSHSXNXRD-WMLDXEAASA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000434797409 238246413 /nfs/dbraw/zinc/24/64/13/238246413.db2.gz YAGDSBMHORBZNZ-WVRJYTFGSA-N 1 0 315.417 3.215 20 5 DGBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271884452 209293191 /nfs/dbraw/zinc/29/31/91/209293191.db2.gz AAVJCIVSJMBNJX-OAHLLOKOSA-N 1 0 312.797 3.375 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000194037249 201166943 /nfs/dbraw/zinc/16/69/43/201166943.db2.gz IMUUQEHMYFXGIA-PVXIVEMSSA-N 1 0 319.405 3.256 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000441226859 239022542 /nfs/dbraw/zinc/02/25/42/239022542.db2.gz GQYDLSCWRIWLFC-CQSZACIVSA-N 1 0 308.378 3.103 20 5 DGBDRO CCC[NH+](CCC)CCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194573610 201254347 /nfs/dbraw/zinc/25/43/47/201254347.db2.gz ZFUAZQRGWUDTDP-UHFFFAOYSA-N 1 0 321.421 3.145 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441444557 239051629 /nfs/dbraw/zinc/05/16/29/239051629.db2.gz DOVUQHVNYUTIKD-OLZOCXBDSA-N 1 0 308.378 3.103 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441444563 239053128 /nfs/dbraw/zinc/05/31/28/239053128.db2.gz DOVUQHVNYUTIKD-STQMWFEESA-N 1 0 308.378 3.103 20 5 DGBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000441448130 239053164 /nfs/dbraw/zinc/05/31/64/239053164.db2.gz OKBZJKMWSJHJDA-ZIAGYGMSSA-N 1 0 322.405 3.493 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000441451916 239055484 /nfs/dbraw/zinc/05/54/84/239055484.db2.gz OJXSABLYARKABQ-UKRRQHHQSA-N 1 0 320.389 3.247 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccco1 ZINC000195511278 201396315 /nfs/dbraw/zinc/39/63/15/201396315.db2.gz NQFPACWYNVRSLH-JTQLQIEISA-N 1 0 310.379 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCC2CCOCC2)C2CC2)cc1 ZINC000292924702 223310913 /nfs/dbraw/zinc/31/09/13/223310913.db2.gz MAYHYAHVQJEUPK-UHFFFAOYSA-N 1 0 304.390 3.376 20 5 DGBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159997 240044710 /nfs/dbraw/zinc/04/47/10/240044710.db2.gz KFCANFAPCNCAPB-NEPJUHHUSA-N 1 0 317.389 3.351 20 5 DGBDRO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449172451 240050883 /nfs/dbraw/zinc/05/08/83/240050883.db2.gz MFJHLWCLAAYOAI-KMFMINBZSA-N 1 0 306.406 3.177 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)COC2 ZINC000449188027 240058568 /nfs/dbraw/zinc/05/85/68/240058568.db2.gz FPFWDGRRKJWVDF-ZDUSSCGKSA-N 1 0 312.369 3.346 20 5 DGBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449201118 240065258 /nfs/dbraw/zinc/06/52/58/240065258.db2.gz DCMCLDLUXHHBON-BBRMVZONSA-N 1 0 308.422 3.159 20 5 DGBDRO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449269175 240100421 /nfs/dbraw/zinc/10/04/21/240100421.db2.gz MIPSIRPQQIBPIV-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000449303043 240121657 /nfs/dbraw/zinc/12/16/57/240121657.db2.gz LSNOISZECYOFEE-XQLPTFJDSA-N 1 0 306.406 3.319 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000449240523 240086076 /nfs/dbraw/zinc/08/60/76/240086076.db2.gz NZVVGOAUIWKTNS-QLFBSQMISA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000449252158 240091566 /nfs/dbraw/zinc/09/15/66/240091566.db2.gz RPZBHRMSQKNTBQ-JEBQAFNWSA-N 1 0 318.417 3.321 20 5 DGBDRO CCOC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000449342753 240143131 /nfs/dbraw/zinc/14/31/31/240143131.db2.gz FBPAXNMOUDJSHB-CQSZACIVSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@H](CCCO)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449407084 240183217 /nfs/dbraw/zinc/18/32/17/240183217.db2.gz FIBMTMXDYMIFND-VYDXJSESSA-N 1 0 320.433 3.304 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COc2ccccc21 ZINC000449327925 240133592 /nfs/dbraw/zinc/13/35/92/240133592.db2.gz GXEWQKDKIHBZNE-ZFWWWQNUSA-N 1 0 312.369 3.292 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nn(C)cc1Cl ZINC000449481982 240233168 /nfs/dbraw/zinc/23/31/68/240233168.db2.gz WZLSGQZOUCUYMI-LLVKDONJSA-N 1 0 322.796 3.093 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449576122 240298336 /nfs/dbraw/zinc/29/83/36/240298336.db2.gz ZVMRETUXSUVMBM-DYEKYZERSA-N 1 0 300.362 3.018 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000449579524 240301473 /nfs/dbraw/zinc/30/14/73/240301473.db2.gz GYBBEBUXTFGGPT-HOCLYGCPSA-N 1 0 318.417 3.058 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](CO)C(C)C ZINC000449507689 240256573 /nfs/dbraw/zinc/25/65/73/240256573.db2.gz FQMXHOQIQQPIBS-GXTWGEPZSA-N 1 0 300.424 3.035 20 5 DGBDRO CC(C)[C@@H](CO)[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449515401 240262220 /nfs/dbraw/zinc/26/22/20/240262220.db2.gz YZUGCPUXXAOCAL-QGPMSJSTSA-N 1 0 322.449 3.405 20 5 DGBDRO CC1(C)C[C@@H](O)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449619926 240322695 /nfs/dbraw/zinc/32/26/95/240322695.db2.gz RIXQVVFGJLEISB-PKYBCLHXSA-N 1 0 304.390 3.091 20 5 DGBDRO C[C@@](CO)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000077656462 283853337 /nfs/dbraw/zinc/85/33/37/283853337.db2.gz RZDQDPFMLAQGEK-KRWDZBQOSA-N 1 0 306.406 3.058 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000450253999 240621158 /nfs/dbraw/zinc/62/11/58/240621158.db2.gz RMDUSONUUKVQGO-OLZOCXBDSA-N 1 0 312.373 3.182 20 5 DGBDRO CCOc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000079695022 283886080 /nfs/dbraw/zinc/88/60/80/283886080.db2.gz CPBKAUHHBDJMHI-UHFFFAOYSA-N 1 0 300.358 3.326 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCc3cscn3)C2)cc1 ZINC000451543718 241163426 /nfs/dbraw/zinc/16/34/26/241163426.db2.gz CFWKGNUYXIQFKP-CQSZACIVSA-N 1 0 317.414 3.473 20 5 DGBDRO CC(C)OC(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548499 241168330 /nfs/dbraw/zinc/16/83/30/241168330.db2.gz NTJKUSODFJGQTR-OAHLLOKOSA-N 1 0 320.389 3.116 20 5 DGBDRO CC(C)OC(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548498 241169131 /nfs/dbraw/zinc/16/91/31/241169131.db2.gz NTJKUSODFJGQTR-HNNXBMFYSA-N 1 0 320.389 3.116 20 5 DGBDRO Cc1c(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000451594269 241184320 /nfs/dbraw/zinc/18/43/20/241184320.db2.gz DHVQKGZSSOLMCK-NVXWUHKLSA-N 1 0 308.422 3.282 20 5 DGBDRO CCC[C@@H]([NH2+]CCc1cnc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000453399834 241765400 /nfs/dbraw/zinc/76/54/00/241765400.db2.gz LRXZBEZYTJBMHO-QGZVFWFLSA-N 1 0 314.389 3.367 20 5 DGBDRO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249068202 284068163 /nfs/dbraw/zinc/06/81/63/284068163.db2.gz KLLYXFDKUNKETO-GZBFAFLISA-N 1 0 320.389 3.095 20 5 DGBDRO CCN1CCC([N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170900 244151809 /nfs/dbraw/zinc/15/18/09/244151809.db2.gz CBFBODVBWSJQIX-QINSGFPZSA-N 1 0 317.433 3.414 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC2(CCC2)C1 ZINC000470181330 244155551 /nfs/dbraw/zinc/15/55/51/244155551.db2.gz BBYYMHAIQLJJTR-GXDHUFHOSA-N 1 0 302.374 3.253 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119290151 284139520 /nfs/dbraw/zinc/13/95/20/284139520.db2.gz GVVXTLABVORGLX-GFCCVEGCSA-N 1 0 311.813 3.022 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000119682697 284148699 /nfs/dbraw/zinc/14/86/99/284148699.db2.gz PTOOJWYACSQSDL-CYBMUJFWSA-N 1 0 303.406 3.181 20 5 DGBDRO Cc1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000093683526 193288742 /nfs/dbraw/zinc/28/87/42/193288742.db2.gz FROMDKMTYXEZSO-KRWDZBQOSA-N 1 0 317.433 3.211 20 5 DGBDRO Cc1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000093659988 193285191 /nfs/dbraw/zinc/28/51/91/193285191.db2.gz CTSWSKPFAHRGDT-INIZCTEOSA-N 1 0 305.422 3.209 20 5 DGBDRO CC(C)[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000120731982 284177404 /nfs/dbraw/zinc/17/74/04/284177404.db2.gz LGTGZVCEVYIIQN-YOEHRIQHSA-N 1 0 305.422 3.366 20 5 DGBDRO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C ZINC000488062779 245141492 /nfs/dbraw/zinc/14/14/92/245141492.db2.gz OTCVHTXPPZYQFR-HIFRSBDPSA-N 1 0 322.405 3.240 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC(C)(C)OC[C@@H]1C ZINC000488219577 245161955 /nfs/dbraw/zinc/16/19/55/245161955.db2.gz MDKRFHYKMPQUMQ-ZDUSSCGKSA-N 1 0 322.405 3.381 20 5 DGBDRO Nc1ccc(NC2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000288228452 220029877 /nfs/dbraw/zinc/02/98/77/220029877.db2.gz FBOJYBXRJNUXQX-UHFFFAOYSA-N 1 0 318.421 3.386 20 5 DGBDRO C[N@H+](CCCC1CCOCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000282479628 217026878 /nfs/dbraw/zinc/02/68/78/217026878.db2.gz OQWSAEFRKUVASE-UHFFFAOYSA-N 1 0 306.406 3.276 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCSC3)o2)c1 ZINC000266136132 205127883 /nfs/dbraw/zinc/12/78/83/205127883.db2.gz FRIDEXVIAKGWEL-LBPRGKRZSA-N 1 0 304.371 3.450 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1ccccc1 ZINC000288537487 220214907 /nfs/dbraw/zinc/21/49/07/220214907.db2.gz KPYFBQVRKHXTSO-BZNIZROVSA-N 1 0 320.776 3.460 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266917883 205674851 /nfs/dbraw/zinc/67/48/51/205674851.db2.gz GSRNZKZRPHTOEY-ZDUSSCGKSA-N 1 0 323.824 3.166 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000129711054 284420994 /nfs/dbraw/zinc/42/09/94/284420994.db2.gz WVQAESCCMXPAJG-LBPRGKRZSA-N 1 0 314.341 3.217 20 5 DGBDRO CCC(O)(CC)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129984668 284428848 /nfs/dbraw/zinc/42/88/48/284428848.db2.gz BLBDYEYBBVQGBF-ZBFHGGJFSA-N 1 0 320.433 3.447 20 5 DGBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000494512170 246158169 /nfs/dbraw/zinc/15/81/69/246158169.db2.gz RGKWWCVFUFYYQT-CYBMUJFWSA-N 1 0 318.295 3.128 20 5 DGBDRO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000495439007 246269442 /nfs/dbraw/zinc/26/94/42/246269442.db2.gz JYUASHJXHFHBRZ-GXTWGEPZSA-N 1 0 312.797 3.195 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000246480074 432136949 /nfs/dbraw/zinc/13/69/49/432136949.db2.gz ACFXWADBRUOYOQ-NEPJUHHUSA-N 1 0 316.361 3.265 20 5 DGBDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000142053057 284529344 /nfs/dbraw/zinc/52/93/44/284529344.db2.gz USMAEPGOLBTHCL-DRZSPHRISA-N 1 0 307.394 3.254 20 5 DGBDRO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000151836873 284584112 /nfs/dbraw/zinc/58/41/12/284584112.db2.gz RJWFEPFPUAWXNV-SNVBAGLBSA-N 1 0 306.284 3.214 20 5 DGBDRO Cc1nccn1CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268893956 432146487 /nfs/dbraw/zinc/14/64/87/432146487.db2.gz VFXVHLLLEVGEBK-CYBMUJFWSA-N 1 0 302.378 3.149 20 5 DGBDRO C[C@H]([NH2+]CC1(CCO)CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283970430 217830773 /nfs/dbraw/zinc/83/07/73/217830773.db2.gz GOAPRNZYIRBXJU-ZDUSSCGKSA-N 1 0 321.421 3.161 20 5 DGBDRO CO[C@]1(C)C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1(C)C ZINC000237271850 284792219 /nfs/dbraw/zinc/79/22/19/284792219.db2.gz MYGQYNHYXVPRFE-PRLJZHDASA-N 1 0 304.390 3.401 20 5 DGBDRO COCC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC000285231660 218343588 /nfs/dbraw/zinc/34/35/88/218343588.db2.gz PHPVOLVOFPXPNA-FZMZJTMJSA-N 1 0 319.361 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000110798270 194359902 /nfs/dbraw/zinc/35/99/02/194359902.db2.gz KDGCDDMCMBLWHL-VIFPVBQESA-N 1 0 303.284 3.025 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CC2(CCO)CCCC2)cccc1[N+](=O)[O-] ZINC000268886842 207056635 /nfs/dbraw/zinc/05/66/35/207056635.db2.gz CGUSXJIXMSBGMV-AWEZNQCLSA-N 1 0 306.406 3.497 20 5 DGBDRO CCC[C@@](C)(O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268906392 207074604 /nfs/dbraw/zinc/07/46/04/207074604.db2.gz RMBRPXPZSGUHQI-DOTOQJQBSA-N 1 0 306.406 3.057 20 5 DGBDRO CCC[C@](C)(O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268906395 207075713 /nfs/dbraw/zinc/07/57/13/207075713.db2.gz RMBRPXPZSGUHQI-RDJZCZTQSA-N 1 0 306.406 3.057 20 5 DGBDRO C[NH+](C)C1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCCC1 ZINC000111220803 194406977 /nfs/dbraw/zinc/40/69/77/194406977.db2.gz VIJHWXQXPHDIJK-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000268928875 207095929 /nfs/dbraw/zinc/09/59/29/207095929.db2.gz QMFFRETUJVDMDC-CZUORRHYSA-N 1 0 300.358 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000268963607 207128451 /nfs/dbraw/zinc/12/84/51/207128451.db2.gz JPLSSWHYZACFRP-CYBMUJFWSA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)cccc1[N+](=O)[O-] ZINC000269123386 207258081 /nfs/dbraw/zinc/25/80/81/207258081.db2.gz YAOSIKQWVODNJJ-JBBXEZCESA-N 1 0 312.369 3.212 20 5 DGBDRO C[C@H]([NH2+]CCCOCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173436628 252657038 /nfs/dbraw/zinc/65/70/38/252657038.db2.gz FEKHOEGXWSANAP-AWEZNQCLSA-N 1 0 322.405 3.079 20 5 DGBDRO COCCSCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000278812555 252842853 /nfs/dbraw/zinc/84/28/53/252842853.db2.gz HQENJPMJYCVUIJ-CYBMUJFWSA-N 1 0 312.435 3.324 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCSC1 ZINC000119961377 195071066 /nfs/dbraw/zinc/07/10/66/195071066.db2.gz JEBSZKCFKRRKEL-AWEZNQCLSA-N 1 0 310.419 3.319 20 5 DGBDRO CO[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000249054071 285050324 /nfs/dbraw/zinc/05/03/24/285050324.db2.gz ORWXLNKTNNYTNT-BZUAXINKSA-N 1 0 304.390 3.073 20 5 DGBDRO COc1ccc(OCC[N@H+](C)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000441525515 533014369 /nfs/dbraw/zinc/01/43/69/533014369.db2.gz POTRBIJAGTZEKO-UHFFFAOYSA-N 1 0 308.378 3.104 20 5 DGBDRO COc1cc(NCC[N@@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000443961346 533028073 /nfs/dbraw/zinc/02/80/73/533028073.db2.gz KZMJRYVYRNMGOZ-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO C[C@H]1CCC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000336999645 253033989 /nfs/dbraw/zinc/03/39/89/253033989.db2.gz RFOBTPGIPKQPHT-UONOGXRCSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000337308019 253082973 /nfs/dbraw/zinc/08/29/73/253082973.db2.gz SSDYPPUXVZEVJA-DGCLKSJQSA-N 1 0 300.305 3.153 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2OC(F)F)c(Cl)c1 ZINC000337310651 253083554 /nfs/dbraw/zinc/08/35/54/253083554.db2.gz UTKKMYPGLKLEOP-NWDGAFQWSA-N 1 0 320.723 3.498 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC[C@H]2OC(F)F)c1 ZINC000337309945 253083589 /nfs/dbraw/zinc/08/35/89/253083589.db2.gz UJRYSTTWEVBOIK-QWHCGFSZSA-N 1 0 300.305 3.235 20 5 DGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337256270 253071200 /nfs/dbraw/zinc/07/12/00/253071200.db2.gz SFXVDVBCUTZPCG-UONOGXRCSA-N 1 0 319.405 3.434 20 5 DGBDRO CC(C)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337258617 253071867 /nfs/dbraw/zinc/07/18/67/253071867.db2.gz VGABUXUHBYKPLH-OAHLLOKOSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000337481903 253124202 /nfs/dbraw/zinc/12/42/02/253124202.db2.gz WGVLMHLSNHGNPS-SUNKGSAMSA-N 1 0 316.361 3.484 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000437541709 285111300 /nfs/dbraw/zinc/11/13/00/285111300.db2.gz XMWMXJROHSYCJC-JKSUJKDBSA-N 1 0 306.431 3.497 20 5 DGBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338664476 253329934 /nfs/dbraw/zinc/32/99/34/253329934.db2.gz NIHHCYNOUHRJHE-JTQLQIEISA-N 1 0 317.311 3.286 20 5 DGBDRO CC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000158843961 197305558 /nfs/dbraw/zinc/30/55/58/197305558.db2.gz CYXLEZYHQKVITB-UHFFFAOYSA-N 1 0 314.389 3.227 20 5 DGBDRO CCC[C@@]1(CO)CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000288671815 220337106 /nfs/dbraw/zinc/33/71/06/220337106.db2.gz CGTQAHWNXZTHTF-RHSMWYFYSA-N 1 0 306.406 3.449 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)CCC2 ZINC000192956510 285145196 /nfs/dbraw/zinc/14/51/96/285145196.db2.gz RCLUIPRYOGXBMU-HACGYAERSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C/C=C\c3ccccc3)C2)nc1 ZINC000255470869 285157086 /nfs/dbraw/zinc/15/70/86/285157086.db2.gz PQJWJDSDHZHVPB-HQQUCIOCSA-N 1 0 324.384 3.189 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000179141079 285162742 /nfs/dbraw/zinc/16/27/42/285162742.db2.gz WIDUYNMHEGTJNX-NDOBWRGRSA-N 1 0 316.401 3.216 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+](C)C)c(F)c2)n1 ZINC000342800690 254053027 /nfs/dbraw/zinc/05/30/27/254053027.db2.gz TVNJQXMSAIAUTD-UHFFFAOYSA-N 1 0 318.352 3.111 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000157649620 197204422 /nfs/dbraw/zinc/20/44/22/197204422.db2.gz YCGCULSZNLZWEF-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1cccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157445394 197188426 /nfs/dbraw/zinc/18/84/26/197188426.db2.gz GFJQBUGDUZPRNI-INIZCTEOSA-N 1 0 303.406 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc(CCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157445085 197187919 /nfs/dbraw/zinc/18/79/19/197187919.db2.gz QSLKRCAYVAOMSH-KRWDZBQOSA-N 1 0 317.433 3.088 20 5 DGBDRO CCCN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000343329894 254127943 /nfs/dbraw/zinc/12/79/43/254127943.db2.gz DHDKOOUNHMWBTH-UHFFFAOYSA-N 1 0 306.410 3.001 20 5 DGBDRO Cc1cc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C2CC2)ccc1F ZINC000343383287 254134736 /nfs/dbraw/zinc/13/47/36/254134736.db2.gz HWPSIRAIVJWEJB-OAHLLOKOSA-N 1 0 318.352 3.017 20 5 DGBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH+]1CCCC1 ZINC000343597514 254166385 /nfs/dbraw/zinc/16/63/85/254166385.db2.gz CEVIHCJQTQKSKU-TWGQIWQCSA-N 1 0 303.406 3.026 20 5 DGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1c(F)cccc1[N+](=O)[O-] ZINC000343803925 254190698 /nfs/dbraw/zinc/19/06/98/254190698.db2.gz GQZHYACSGZKGCX-UHFFFAOYSA-N 1 0 321.352 3.285 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000343956436 254205865 /nfs/dbraw/zinc/20/58/65/254205865.db2.gz DSKMJTMKWWSDMZ-GFCCVEGCSA-N 1 0 308.353 3.365 20 5 DGBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000344028225 254215516 /nfs/dbraw/zinc/21/55/16/254215516.db2.gz MNCWXDGWZNHBGY-CYBMUJFWSA-N 1 0 319.405 3.291 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000344114092 254227365 /nfs/dbraw/zinc/22/73/65/254227365.db2.gz RYLKDHHUVKWHRY-CQSZACIVSA-N 1 0 317.389 3.045 20 5 DGBDRO CC[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000344214667 254240528 /nfs/dbraw/zinc/24/05/28/254240528.db2.gz CCNRKXOSPKTDGW-WBMJQRKESA-N 1 0 305.378 3.044 20 5 DGBDRO Cn1cc(C[NH2+]C[C@@H]2CC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344411061 254267757 /nfs/dbraw/zinc/26/77/57/254267757.db2.gz QAEUKJPCTAZKFS-AWEZNQCLSA-N 1 0 314.389 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000344419797 254268712 /nfs/dbraw/zinc/26/87/12/254268712.db2.gz NNSJHCRAFTUBAQ-HNNXBMFYSA-N 1 0 318.421 3.082 20 5 DGBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])nc2)[NH+](C)C)cc1 ZINC000344434712 254270282 /nfs/dbraw/zinc/27/02/82/254270282.db2.gz LRJUGQLBVPJGNU-OAHLLOKOSA-N 1 0 300.362 3.013 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1c(C)noc1C ZINC000344842538 254309875 /nfs/dbraw/zinc/30/98/75/254309875.db2.gz GPRXZECJSRAYJL-XFFZJAGNSA-N 1 0 301.346 3.393 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CCC2)s1 ZINC000344842108 254310069 /nfs/dbraw/zinc/31/00/69/254310069.db2.gz UTSNVJWJAQQFMT-UHFFFAOYSA-N 1 0 317.414 3.119 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000344842674 254310081 /nfs/dbraw/zinc/31/00/81/254310081.db2.gz HCLUEGQRBCBBDH-IWUOBAOPSA-N 1 0 304.390 3.139 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000430200892 533137365 /nfs/dbraw/zinc/13/73/65/533137365.db2.gz IFWHHNIQSJGWHV-RDJZCZTQSA-N 1 0 322.405 3.287 20 5 DGBDRO C[C@H]([NH2+]CCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000156900176 197148932 /nfs/dbraw/zinc/14/89/32/197148932.db2.gz AGEIFBKPECKIQO-AWEZNQCLSA-N 1 0 300.358 3.462 20 5 DGBDRO C[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000156688636 197133983 /nfs/dbraw/zinc/13/39/83/197133983.db2.gz HRGGYWJVYFKUDW-MRXNPFEDSA-N 1 0 320.776 3.246 20 5 DGBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000270227060 285207018 /nfs/dbraw/zinc/20/70/18/285207018.db2.gz OCLSOHHYVXXVAU-JTQLQIEISA-N 1 0 317.311 3.002 20 5 DGBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000270227064 285207020 /nfs/dbraw/zinc/20/70/20/285207020.db2.gz OCLSOHHYVXXVAU-SNVBAGLBSA-N 1 0 317.311 3.002 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)s1 ZINC000288952621 220564168 /nfs/dbraw/zinc/56/41/68/220564168.db2.gz CFSIBSPLSSQZOD-UHFFFAOYSA-N 1 0 320.374 3.048 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000156362151 197106700 /nfs/dbraw/zinc/10/67/00/197106700.db2.gz QWEJQTOBKLCXPK-OAHLLOKOSA-N 1 0 316.405 3.457 20 5 DGBDRO CC1(C)CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155123530 197024491 /nfs/dbraw/zinc/02/44/91/197024491.db2.gz BYLZISBBEVPWFD-AWEZNQCLSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289845398 285244105 /nfs/dbraw/zinc/24/41/05/285244105.db2.gz PPXWBHDPNAQGDC-UTDDRVLSSA-N 1 0 315.417 3.167 20 5 DGBDRO CCC[C@H]([NH2+]CCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000120490940 195177172 /nfs/dbraw/zinc/17/71/72/195177172.db2.gz PZNXGFLHEIHKTD-INIZCTEOSA-N 1 0 302.378 3.312 20 5 DGBDRO CC[C@H](Cc1ccccc1)[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000120519421 195182927 /nfs/dbraw/zinc/18/29/27/195182927.db2.gz RGYQAKFVRPDKQG-MRXNPFEDSA-N 1 0 316.405 3.135 20 5 DGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000120809194 195242081 /nfs/dbraw/zinc/24/20/81/195242081.db2.gz KQAYHMVWQJJGJU-UHFFFAOYSA-N 1 0 321.421 3.097 20 5 DGBDRO CC(C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000120840790 195247848 /nfs/dbraw/zinc/24/78/48/195247848.db2.gz OJDFVFMNZBADAB-UHFFFAOYSA-N 1 0 319.405 3.237 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ncccc2F)cc1[N+](=O)[O-] ZINC000271576893 209026226 /nfs/dbraw/zinc/02/62/26/209026226.db2.gz ZRKPLDKSPIYRNE-LBPRGKRZSA-N 1 0 319.336 3.167 20 5 DGBDRO Cc1c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289480027 221004671 /nfs/dbraw/zinc/00/46/71/221004671.db2.gz IEGFXPLJSZLMJI-DLBZAZTESA-N 1 0 316.401 3.437 20 5 DGBDRO COC(=O)CCCCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000289879290 221287782 /nfs/dbraw/zinc/28/77/82/221287782.db2.gz RXLOELUJEPFFSJ-AWEZNQCLSA-N 1 0 322.405 3.239 20 5 DGBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000289977702 221355239 /nfs/dbraw/zinc/35/52/39/221355239.db2.gz XPZLOBGKYNQNSX-VXGBXAGGSA-N 1 0 319.188 3.247 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CCCC1 ZINC000290045236 221398703 /nfs/dbraw/zinc/39/87/03/221398703.db2.gz DSHQWFWYRVBUAC-BBRMVZONSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121735743 195336610 /nfs/dbraw/zinc/33/66/10/195336610.db2.gz VGTCGIZXQRADFC-RWMBFGLXSA-N 1 0 305.378 3.090 20 5 DGBDRO CCC(O)(CC)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121889240 195368932 /nfs/dbraw/zinc/36/89/32/195368932.db2.gz UKAPHKSBFJKLJV-HNNXBMFYSA-N 1 0 306.406 3.057 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1(O)CCCC1 ZINC000470182829 533380219 /nfs/dbraw/zinc/38/02/19/533380219.db2.gz NJYVFRHINOMGCN-UVTDQMKNSA-N 1 0 304.390 3.235 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000449182537 533384527 /nfs/dbraw/zinc/38/45/27/533384527.db2.gz CUPSZQLCUJHLST-XTBTUZTQSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@H]1F ZINC000414280882 533445508 /nfs/dbraw/zinc/44/55/08/533445508.db2.gz FASAVCUWBAYARY-NILFDRSVSA-N 1 0 323.368 3.182 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC([NH2+]C(C)C)CC1 ZINC000483273664 533406498 /nfs/dbraw/zinc/40/64/98/533406498.db2.gz UDVKXOKYOYGMEI-RVDMUPIBSA-N 1 0 317.433 3.461 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCCCC1 ZINC000468653513 533409249 /nfs/dbraw/zinc/40/92/49/533409249.db2.gz WJZBBNKNAARXCL-NTCAYCPXSA-N 1 0 303.406 3.074 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000449182536 533409663 /nfs/dbraw/zinc/40/96/63/533409663.db2.gz CUPSZQLCUJHLST-OTOWYGFESA-N 1 0 304.390 3.139 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449574758 533409906 /nfs/dbraw/zinc/40/99/06/533409906.db2.gz VZFSAVOXGBCBOA-VJNRTPOASA-N 1 0 312.373 3.490 20 5 DGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302042840 533556539 /nfs/dbraw/zinc/55/65/39/533556539.db2.gz IYSFOTBKYONBNM-OLZOCXBDSA-N 1 0 304.394 3.055 20 5 DGBDRO COc1ccc(C[NH2+]CCCc2ncccc2C)cc1[N+](=O)[O-] ZINC000294734372 533663884 /nfs/dbraw/zinc/66/38/84/533663884.db2.gz DOXRAWIXAYVLKC-UHFFFAOYSA-N 1 0 315.373 3.029 20 5 DGBDRO NC(=O)CC1C[NH+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000297426666 132015039 /nfs/dbraw/zinc/01/50/39/132015039.db2.gz NYJOHEWAYLGWHT-UHFFFAOYSA-N 1 0 304.393 3.300 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)C1CC1 ZINC000188030376 296514226 /nfs/dbraw/zinc/51/42/26/296514226.db2.gz BHWKCUQLJHAGNO-KBRIMQKVSA-N 1 0 318.417 3.057 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cc(C)nc(C)c1 ZINC000595044629 400086765 /nfs/dbraw/zinc/08/67/65/400086765.db2.gz MTNZBOWDDNZTNX-ZDUSSCGKSA-N 1 0 315.373 3.466 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595047551 400088314 /nfs/dbraw/zinc/08/83/14/400088314.db2.gz TUCNUHAEGFHAFX-YNEHKIRRSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000595047324 400088547 /nfs/dbraw/zinc/08/85/47/400088547.db2.gz QZJBVYMTKSKJIQ-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000595052019 400090632 /nfs/dbraw/zinc/09/06/32/400090632.db2.gz PMEMYUJHVCWDDN-RYUDHWBXSA-N 1 0 308.378 3.212 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(C)(C)F ZINC000595091085 400102695 /nfs/dbraw/zinc/10/26/95/400102695.db2.gz URMLUHDXPPVSPO-NSHDSACASA-N 1 0 311.357 3.040 20 5 DGBDRO C[C@H](O)[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000595105077 400107683 /nfs/dbraw/zinc/10/76/83/400107683.db2.gz WVLADVHQZGHUSW-XZOAIXRZSA-N 1 0 312.369 3.294 20 5 DGBDRO C[C@H](O)[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000595105075 400108006 /nfs/dbraw/zinc/10/80/06/400108006.db2.gz WVLADVHQZGHUSW-IWEFOYFVSA-N 1 0 312.369 3.294 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)C[C@H](C)O ZINC000595025031 400080401 /nfs/dbraw/zinc/08/04/01/400080401.db2.gz DPTFPOIXUNKICW-RYUDHWBXSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000595028661 400081475 /nfs/dbraw/zinc/08/14/75/400081475.db2.gz WTJBDZMODGYAJJ-YVECIDJPSA-N 1 0 308.378 3.210 20 5 DGBDRO COc1cccc2c1CC[C@H]2[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910177 400082652 /nfs/dbraw/zinc/08/26/52/400082652.db2.gz KEADDWMXNXPKOA-QGZVFWFLSA-N 1 0 312.369 3.423 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOCC1CCC1 ZINC000595033740 400083663 /nfs/dbraw/zinc/08/36/63/400083663.db2.gz SWOHWKOBDPWVGM-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO Cc1cc(N2CCC[C@H](CCO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322350193 400173922 /nfs/dbraw/zinc/17/39/22/400173922.db2.gz FKKYVMGDODCYKC-CYBMUJFWSA-N 1 0 315.373 3.050 20 5 DGBDRO CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000595525240 400177730 /nfs/dbraw/zinc/17/77/30/400177730.db2.gz QDVWJXHOUHKTIJ-GDBMZVCRSA-N 1 0 304.390 3.342 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000595295547 400121063 /nfs/dbraw/zinc/12/10/63/400121063.db2.gz GXXCAAAFOIFEEM-OAHLLOKOSA-N 1 0 315.373 3.488 20 5 DGBDRO Cc1noc(C[NH2+]C(C)(C)CCc2ccccc2)c1[N+](=O)[O-] ZINC000595308452 400125043 /nfs/dbraw/zinc/12/50/43/400125043.db2.gz OFKFQKQKVPLCBC-UHFFFAOYSA-N 1 0 303.362 3.392 20 5 DGBDRO CCOc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000092612292 400185728 /nfs/dbraw/zinc/18/57/28/400185728.db2.gz HODRSFSWAUBKMD-HNNXBMFYSA-N 1 0 319.405 3.058 20 5 DGBDRO C[N@H+](CCc1cccc(Nc2ccc([N+](=O)[O-])cn2)c1)C1CC1 ZINC000091632145 400129429 /nfs/dbraw/zinc/12/94/29/400129429.db2.gz CWBXMZCYDCQLGH-UHFFFAOYSA-N 1 0 312.373 3.370 20 5 DGBDRO CCc1nn(C)cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000091742252 400134702 /nfs/dbraw/zinc/13/47/02/400134702.db2.gz LVQMJLCCPRVMFJ-LBPRGKRZSA-N 1 0 302.378 3.050 20 5 DGBDRO CC[N@H+](CCc1nccs1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595387608 400137755 /nfs/dbraw/zinc/13/77/55/400137755.db2.gz FJUYAOUXKCBLHV-UHFFFAOYSA-N 1 0 309.366 3.255 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000585767828 400139687 /nfs/dbraw/zinc/13/96/87/400139687.db2.gz GPJSJSHQFOUPGI-RZKHIIBWSA-N 1 0 302.374 3.251 20 5 DGBDRO Cc1noc(C[NH2+][C@H](C)C(C)(C)c2ccccc2)c1[N+](=O)[O-] ZINC000595415106 400142154 /nfs/dbraw/zinc/14/21/54/400142154.db2.gz LWFYEOQSKSPBQL-GFCCVEGCSA-N 1 0 303.362 3.347 20 5 DGBDRO CO[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCC1 ZINC000595411812 400143175 /nfs/dbraw/zinc/14/31/75/400143175.db2.gz NNFFYHUULMGQKX-KRWDZBQOSA-N 1 0 304.390 3.374 20 5 DGBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC[C@H]1CCc3ccccc31)CC2 ZINC000595424445 400145718 /nfs/dbraw/zinc/14/57/18/400145718.db2.gz MQUDQBLXVOUNMS-OAHLLOKOSA-N 1 0 323.396 3.468 20 5 DGBDRO CC(C)[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000067127827 400146725 /nfs/dbraw/zinc/14/67/25/400146725.db2.gz VDNWBSSFMDWXEJ-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO Cc1noc(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000595427952 400146771 /nfs/dbraw/zinc/14/67/71/400146771.db2.gz VDCRCAUTBZRLIQ-CQSZACIVSA-N 1 0 301.346 3.189 20 5 DGBDRO CCC[N@H+](CCc1cccs1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595442263 400150739 /nfs/dbraw/zinc/15/07/39/400150739.db2.gz QXXAAEDQPXVZDC-UHFFFAOYSA-N 1 0 309.391 3.407 20 5 DGBDRO Cc1cc([C@@H]2CCC[NH2+]2)ccc1-c1cc([N+](=O)[O-])ccc1CO ZINC000600782555 400151943 /nfs/dbraw/zinc/15/19/43/400151943.db2.gz MYBYQDNMUAGKPC-SFHVURJKSA-N 1 0 312.369 3.487 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1Cn1c(C)[nH+]c2c1CCCC2 ZINC000317309690 400153933 /nfs/dbraw/zinc/15/39/33/400153933.db2.gz IGYYFOQHGUIJST-UHFFFAOYSA-N 1 0 301.346 3.035 20 5 DGBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595450503 400155114 /nfs/dbraw/zinc/15/51/14/400155114.db2.gz NWUXYCHFBJPEHM-HUUCEWRRSA-N 1 0 315.373 3.392 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCc2sccc2C1 ZINC000609322932 400159642 /nfs/dbraw/zinc/15/96/42/400159642.db2.gz NZPVAAIOSVSGHR-UHFFFAOYSA-N 1 0 318.398 3.484 20 5 DGBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000595483728 400165170 /nfs/dbraw/zinc/16/51/70/400165170.db2.gz VPCIXPFBBKRGOG-ICCXJUOJSA-N 1 0 320.311 3.193 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)C ZINC000609450489 400168389 /nfs/dbraw/zinc/16/83/89/400168389.db2.gz HWXKTDYSJCGMDU-CABCVRRESA-N 1 0 319.405 3.114 20 5 DGBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595676736 400224336 /nfs/dbraw/zinc/22/43/36/400224336.db2.gz NSJWEVMBANSESH-SMDDNHRTSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000610248000 400229513 /nfs/dbraw/zinc/22/95/13/400229513.db2.gz BSOASNNCLPUSGK-QWHCGFSZSA-N 1 0 300.362 3.259 20 5 DGBDRO C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610420540 400255938 /nfs/dbraw/zinc/25/59/38/400255938.db2.gz OYKDFGWXQALVPO-DEYYWGMASA-N 1 0 314.385 3.410 20 5 DGBDRO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000093223983 400232394 /nfs/dbraw/zinc/23/23/94/400232394.db2.gz BBUQHZPLQJHTQZ-UHFFFAOYSA-N 1 0 315.373 3.279 20 5 DGBDRO COc1ccc(C[N@H+](Cc2cccnc2)C(C)C)cc1[N+](=O)[O-] ZINC000093224399 400232886 /nfs/dbraw/zinc/23/28/86/400232886.db2.gz LZAMKTQYHULRLJ-UHFFFAOYSA-N 1 0 315.373 3.409 20 5 DGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610281901 400234418 /nfs/dbraw/zinc/23/44/18/400234418.db2.gz XAYRVVWSWHHZOL-AWEZNQCLSA-N 1 0 317.414 3.367 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601151165 400250104 /nfs/dbraw/zinc/25/01/04/400250104.db2.gz QPJPWRDTVXYYPA-ZANVPECISA-N 1 0 320.311 3.120 20 5 DGBDRO CC(C)OCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000601159691 400252343 /nfs/dbraw/zinc/25/23/43/400252343.db2.gz MCZITUSXKZJEAP-UHFFFAOYSA-N 1 0 304.346 3.369 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000067711430 400197285 /nfs/dbraw/zinc/19/72/85/400197285.db2.gz WBSSZDKKCUWAGF-SNVBAGLBSA-N 1 0 315.295 3.262 20 5 DGBDRO O=[N+]([O-])c1sccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067905649 400215250 /nfs/dbraw/zinc/21/52/50/400215250.db2.gz ODRNOPKOHRAFEO-CYBMUJFWSA-N 1 0 303.387 3.343 20 5 DGBDRO Cc1ccc(Nc2cnn(C3CC[NH+](C)CC3)c2)c([N+](=O)[O-])c1 ZINC000601227526 400268439 /nfs/dbraw/zinc/26/84/39/400268439.db2.gz UBZSQEYSCMDUPT-UHFFFAOYSA-N 1 0 315.377 3.110 20 5 DGBDRO CCC[NH+](CCC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000027271344 400268704 /nfs/dbraw/zinc/26/87/04/400268704.db2.gz BRLVSCMYIWQEQA-UHFFFAOYSA-N 1 0 323.393 3.054 20 5 DGBDRO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](O)C1CC1 ZINC000589198260 400275163 /nfs/dbraw/zinc/27/51/63/400275163.db2.gz XLOAQHGOHVBFDG-INIZCTEOSA-N 1 0 316.357 3.058 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](C4CCC4)C3)nc2c1 ZINC000595837691 400277127 /nfs/dbraw/zinc/27/71/27/400277127.db2.gz RCKZPCDUJXCWGP-ZDUSSCGKSA-N 1 0 314.389 3.483 20 5 DGBDRO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000610581283 400278202 /nfs/dbraw/zinc/27/82/02/400278202.db2.gz YVPDVJSDMQSSPZ-UHFFFAOYSA-N 1 0 319.361 3.127 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595857998 400282406 /nfs/dbraw/zinc/28/24/06/400282406.db2.gz PYFNNZHWXSVYGI-ARQBPDDDSA-N 1 0 317.389 3.185 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+](CCC(C)C)CCC(C)C ZINC000610657227 400285353 /nfs/dbraw/zinc/28/53/53/400285353.db2.gz XFFMADCASBDYQK-UHFFFAOYSA-N 1 0 310.442 3.494 20 5 DGBDRO Cc1cc(N[C@H](C)C[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589584739 400305892 /nfs/dbraw/zinc/30/58/92/400305892.db2.gz OECQLCLGVOYLOM-DGCLKSJQSA-N 1 0 315.373 3.100 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(O)CCC(C)CC1 ZINC000596059164 400306722 /nfs/dbraw/zinc/30/67/22/400306722.db2.gz VPCJMSUYSAAEBZ-UHFFFAOYSA-N 1 0 322.405 3.024 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000610916055 400324733 /nfs/dbraw/zinc/32/47/33/400324733.db2.gz DZJLENIROAZBAD-NVAPOSRTSA-N 1 0 324.380 3.032 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000589608485 400309661 /nfs/dbraw/zinc/30/96/61/400309661.db2.gz IRRFHMIJYFEXRJ-LBPRGKRZSA-N 1 0 317.393 3.070 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000589631996 400311848 /nfs/dbraw/zinc/31/18/48/400311848.db2.gz CHJWIZFDODYWRZ-ZDUSSCGKSA-N 1 0 321.421 3.007 20 5 DGBDRO CCn1nccc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000596096024 400316364 /nfs/dbraw/zinc/31/63/64/400316364.db2.gz UEGSZOJVUCOMSI-MRXNPFEDSA-N 1 0 314.389 3.323 20 5 DGBDRO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000030142748 400320733 /nfs/dbraw/zinc/32/07/33/400320733.db2.gz KNDAKCYJLUCJCH-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000030148702 400321149 /nfs/dbraw/zinc/32/11/49/400321149.db2.gz GYLZRCBASUVIFY-SNVBAGLBSA-N 1 0 313.785 3.163 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595783057 400258080 /nfs/dbraw/zinc/25/80/80/400258080.db2.gz MNWSCWYPSHBCFG-KRWDZBQOSA-N 1 0 304.390 3.376 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H](CO)CC1CC1 ZINC000611337410 400380320 /nfs/dbraw/zinc/38/03/20/400380320.db2.gz BJQVPNDICSHPCR-XIRDDKMYSA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1cc(N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])s1 ZINC000596137557 400327512 /nfs/dbraw/zinc/32/75/12/400327512.db2.gz MBAFFPNHNPUSPR-CYBMUJFWSA-N 1 0 309.435 3.277 20 5 DGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC000611084503 400343883 /nfs/dbraw/zinc/34/38/83/400343883.db2.gz BVQQZOIGQMJCSZ-SNVBAGLBSA-N 1 0 317.311 3.144 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC(Cc3ccc(F)cc3)C2)cc1 ZINC000611172805 400353816 /nfs/dbraw/zinc/35/38/16/400353816.db2.gz FLRIEGDTPCLSSB-UHFFFAOYSA-N 1 0 314.360 3.451 20 5 DGBDRO CC[N@@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@H](C)C1 ZINC000596268878 400367051 /nfs/dbraw/zinc/36/70/51/400367051.db2.gz MLBCZPIUKHXZTE-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO CC[N@@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268879 400367350 /nfs/dbraw/zinc/36/73/50/400367350.db2.gz MLBCZPIUKHXZTE-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000611261859 400368140 /nfs/dbraw/zinc/36/81/40/400368140.db2.gz NILRWRHVABHAKL-BYPUDFOVSA-N 1 0 312.373 3.211 20 5 DGBDRO C[C@@H]1COCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611272400 400371301 /nfs/dbraw/zinc/37/13/01/400371301.db2.gz GZJPNKAXBNMJPU-CYBMUJFWSA-N 1 0 316.357 3.466 20 5 DGBDRO C[C@H]1COCCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611272370 400371637 /nfs/dbraw/zinc/37/16/37/400371637.db2.gz CMOBIKNACOPEKA-ZDUSSCGKSA-N 1 0 316.357 3.466 20 5 DGBDRO CCC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596309884 400376959 /nfs/dbraw/zinc/37/69/59/400376959.db2.gz ZFINAWQSBOOBQP-ZDUSSCGKSA-N 1 0 319.405 3.472 20 5 DGBDRO C[C@@H](CCNc1c(Br)cccc1[N+](=O)[O-])[NH+](C)C ZINC000596434965 400414554 /nfs/dbraw/zinc/41/45/54/400414554.db2.gz ZQCYBDFHIDERKB-VIFPVBQESA-N 1 0 316.199 3.109 20 5 DGBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000590568683 400397419 /nfs/dbraw/zinc/39/74/19/400397419.db2.gz JEWSXQQXZHGXNY-CABZTGNLSA-N 1 0 317.311 3.142 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(C)(C)O ZINC000611470201 400406823 /nfs/dbraw/zinc/40/68/23/400406823.db2.gz MBIYZJXQTHWSMH-RYUDHWBXSA-N 1 0 312.435 3.215 20 5 DGBDRO CCC(CC)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000116347781 400408023 /nfs/dbraw/zinc/40/80/23/400408023.db2.gz QQSPLRMQCSUAFE-UHFFFAOYSA-N 1 0 318.373 3.496 20 5 DGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCCC1 ZINC000041620683 400410665 /nfs/dbraw/zinc/41/06/65/400410665.db2.gz QBUSTZHESFBXLU-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000590661397 400411893 /nfs/dbraw/zinc/41/18/93/400411893.db2.gz BWRILNOXVBPUMR-IAQYHMDHSA-N 1 0 318.398 3.278 20 5 DGBDRO Cc1cc(NC[C@@]2(C)CC2(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596479924 400424628 /nfs/dbraw/zinc/42/46/28/400424628.db2.gz XBQFEHBJVKUJIC-CQSZACIVSA-N 1 0 307.300 3.331 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc(O)cc1 ZINC000611526335 400416543 /nfs/dbraw/zinc/41/65/43/400416543.db2.gz QOTWYAIOEFQGKI-UHFFFAOYSA-N 1 0 306.749 3.286 20 5 DGBDRO CC(=O)c1ccc(N[C@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000596487659 400427783 /nfs/dbraw/zinc/42/77/83/400427783.db2.gz JGASHXLUILDEMY-CYBMUJFWSA-N 1 0 319.405 3.330 20 5 DGBDRO CCO[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000590756971 400429592 /nfs/dbraw/zinc/42/95/92/400429592.db2.gz VDXOZKGRJABSTD-YOEHRIQHSA-N 1 0 322.405 3.111 20 5 DGBDRO Cc1cc(NCC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596562271 400445003 /nfs/dbraw/zinc/44/50/03/400445003.db2.gz KJFFRUIBINOZTN-UHFFFAOYSA-N 1 0 303.406 3.437 20 5 DGBDRO COc1cc(CN(C)Cc2ccsc2)c([N+](=O)[O-])cc1OC ZINC000120470683 400446077 /nfs/dbraw/zinc/44/60/77/400446077.db2.gz BEIYPMSQKDOZDV-UHFFFAOYSA-N 1 0 322.386 3.306 20 5 DGBDRO CS[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602573045 400500574 /nfs/dbraw/zinc/50/05/74/400500574.db2.gz XGAOHYMTEPUBCY-MRVPVSSYSA-N 1 0 308.325 3.455 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCSCC(F)(F)F)cc1 ZINC000602578081 400502714 /nfs/dbraw/zinc/50/27/14/400502714.db2.gz YNKFLKTWKDMUHT-UHFFFAOYSA-N 1 0 308.325 3.022 20 5 DGBDRO CC(C)C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602584730 400505072 /nfs/dbraw/zinc/50/50/72/400505072.db2.gz KBGJKYQOMLJADL-WBVHZDCISA-N 1 0 306.406 3.321 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCN1 ZINC000591275679 400505533 /nfs/dbraw/zinc/50/55/33/400505533.db2.gz XCVSMHBQRRWCTQ-BHYGNILZSA-N 1 0 317.433 3.038 20 5 DGBDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C2 ZINC000612194028 400506274 /nfs/dbraw/zinc/50/62/74/400506274.db2.gz KVLKBGWGPGXMOT-AWEZNQCLSA-N 1 0 318.398 3.312 20 5 DGBDRO CC(C)CC[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000602448508 400465462 /nfs/dbraw/zinc/46/54/62/400465462.db2.gz VQBGGZCRNBOQRV-MRXNPFEDSA-N 1 0 321.421 3.095 20 5 DGBDRO COc1cc(-c2ccc(F)c(C[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000596646961 400471046 /nfs/dbraw/zinc/47/10/46/400471046.db2.gz SKDULNVTSRQUCW-UHFFFAOYSA-N 1 0 304.321 3.471 20 5 DGBDRO Cc1csc([C@H](C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602611746 400512059 /nfs/dbraw/zinc/51/20/59/400512059.db2.gz FNKBQUXJYBROJH-LLVKDONJSA-N 1 0 305.403 3.296 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061960 400480399 /nfs/dbraw/zinc/48/03/99/400480399.db2.gz PNPAEDPKKVXMBS-TZMCWYRMSA-N 1 0 317.389 3.044 20 5 DGBDRO O=C(CC[N@@H+]1CC[C@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591061857 400480611 /nfs/dbraw/zinc/48/06/11/400480611.db2.gz KXBOUNKBQKCVQY-AWEZNQCLSA-N 1 0 317.389 3.045 20 5 DGBDRO Cc1ccccc1[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000126385575 400492651 /nfs/dbraw/zinc/49/26/51/400492651.db2.gz JUHDJEIXWPJZNW-GOSISDBHSA-N 1 0 312.369 3.477 20 5 DGBDRO CCSCC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602557542 400496182 /nfs/dbraw/zinc/49/61/82/400496182.db2.gz LADQSNSCBPNHNJ-JTQLQIEISA-N 1 0 309.391 3.357 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000602791263 400574527 /nfs/dbraw/zinc/57/45/27/400574527.db2.gz CLUXCINSNBWBLH-KRWDZBQOSA-N 1 0 314.389 3.231 20 5 DGBDRO Cc1ncc([C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000602657270 400527680 /nfs/dbraw/zinc/52/76/80/400527680.db2.gz DAACIRTVXIHFSY-CYBMUJFWSA-N 1 0 314.389 3.237 20 5 DGBDRO Cc1cc(NC[C@H](c2ccsc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000074739699 400531167 /nfs/dbraw/zinc/53/11/67/400531167.db2.gz BZFNBXKQGXROJG-CYBMUJFWSA-N 1 0 306.391 3.075 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)c1ccco1 ZINC000074743865 400532207 /nfs/dbraw/zinc/53/22/07/400532207.db2.gz DOJALWSFEYAAGJ-CQSZACIVSA-N 1 0 318.377 3.386 20 5 DGBDRO CC/C=C\C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602675286 400535516 /nfs/dbraw/zinc/53/55/16/400535516.db2.gz LMHJZLNXGHAUMK-ARJAWSKDSA-N 1 0 305.197 3.475 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)nc2c1 ZINC000602683658 400538140 /nfs/dbraw/zinc/53/81/40/400538140.db2.gz QWTZGYNBAAYRFP-GUYCJALGSA-N 1 0 313.357 3.356 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@H](C4CC4)[C@H]3C3CC3)nc2c1 ZINC000602683654 400538430 /nfs/dbraw/zinc/53/84/30/400538430.db2.gz QWTZGYNBAAYRFP-CXAGYDPISA-N 1 0 313.357 3.356 20 5 DGBDRO C[C@@H]([NH3+])CN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591580659 400542574 /nfs/dbraw/zinc/54/25/74/400542574.db2.gz JCXHKCWEVYYQEF-GHMZBOCLSA-N 1 0 305.403 3.321 20 5 DGBDRO C[C@H]([NH3+])CN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591580661 400542955 /nfs/dbraw/zinc/54/29/55/400542955.db2.gz JCXHKCWEVYYQEF-QWRGUYRKSA-N 1 0 305.403 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c(F)c1 ZINC000618197924 400547024 /nfs/dbraw/zinc/54/70/24/400547024.db2.gz ZSEZMBFSAUHQEB-AWEZNQCLSA-N 1 0 316.332 3.087 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000618197876 400547375 /nfs/dbraw/zinc/54/73/75/400547375.db2.gz OLIQLIXXKLUURD-RCFWFJCLSA-N 1 0 324.380 3.461 20 5 DGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075022050 400552948 /nfs/dbraw/zinc/55/29/48/400552948.db2.gz AWUYORILFIZXPX-AAEUAGOBSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000602763814 400566352 /nfs/dbraw/zinc/56/63/52/400566352.db2.gz DNRVUVMDYQMMSD-LLVKDONJSA-N 1 0 322.796 3.446 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C)(F)CC1 ZINC000602993351 400623210 /nfs/dbraw/zinc/62/32/10/400623210.db2.gz YRCVHKKPEWCSMO-UHFFFAOYSA-N 1 0 323.368 3.056 20 5 DGBDRO Cc1ccc(C[NH2+]CCc2cn3c(cccc3C)n2)cc1[N+](=O)[O-] ZINC000592380132 400643036 /nfs/dbraw/zinc/64/30/36/400643036.db2.gz RNCBBQIXKNHAQZ-UHFFFAOYSA-N 1 0 324.384 3.192 20 5 DGBDRO Cc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000047744118 400629383 /nfs/dbraw/zinc/62/93/83/400629383.db2.gz YNDPYHUDEARAMV-UHFFFAOYSA-N 1 0 311.385 3.225 20 5 DGBDRO CSc1ccc([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602827248 400585406 /nfs/dbraw/zinc/58/54/06/400585406.db2.gz QGQBKZLTJSDPEW-NSHDSACASA-N 1 0 320.418 3.172 20 5 DGBDRO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602839656 400587812 /nfs/dbraw/zinc/58/78/12/400587812.db2.gz IAYBFKWHQWFAIL-NUEKZKHPSA-N 1 0 304.390 3.199 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000592395529 400644801 /nfs/dbraw/zinc/64/48/01/400644801.db2.gz CTLAQKGSFVSJKG-KCQAQPDRSA-N 1 0 324.421 3.441 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)C[C@H](C)CC)cc1[N+](=O)[O-] ZINC000592395525 400644939 /nfs/dbraw/zinc/64/49/39/400644939.db2.gz CTLAQKGSFVSJKG-IPYPFGDCSA-N 1 0 324.421 3.441 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592397509 400645388 /nfs/dbraw/zinc/64/53/88/400645388.db2.gz MNFLKVAGHNHYJY-XKQJLSEDSA-N 1 0 320.433 3.303 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000150070736 400662949 /nfs/dbraw/zinc/66/29/49/400662949.db2.gz ODITWRATURTUMF-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO Cc1ccc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000592525594 400664846 /nfs/dbraw/zinc/66/48/46/400664846.db2.gz AFFQOSKCNGIZNE-AWEZNQCLSA-N 1 0 304.390 3.294 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(NC3CC[NH+](C4CC4)CC3)ccc2c1 ZINC000076577979 400661551 /nfs/dbraw/zinc/66/15/51/400661551.db2.gz AGOOVDLQSXPVQL-UHFFFAOYSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccccc1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000076688367 400667343 /nfs/dbraw/zinc/66/73/43/400667343.db2.gz WTKPDVLVQANTCY-UHFFFAOYSA-N 1 0 319.405 3.042 20 5 DGBDRO C[NH+](C)CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000076836296 400675640 /nfs/dbraw/zinc/67/56/40/400675640.db2.gz GMPWIYBYGGZYHQ-UHFFFAOYSA-N 1 0 315.373 3.147 20 5 DGBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000052160337 400720017 /nfs/dbraw/zinc/72/00/17/400720017.db2.gz YYQIHGZSMSSMNC-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000603871415 400727047 /nfs/dbraw/zinc/72/70/47/400727047.db2.gz CQNCDMISAZALSN-UHFFFAOYSA-N 1 0 305.422 3.460 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000077656418 400734892 /nfs/dbraw/zinc/73/48/92/400734892.db2.gz ZYDFJEHRDDVGQT-KRWDZBQOSA-N 1 0 322.405 3.024 20 5 DGBDRO Cc1c(CN2CC[NH+](CCC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000604015060 400742560 /nfs/dbraw/zinc/74/25/60/400742560.db2.gz MYAKQLNLHXXPRF-UHFFFAOYSA-N 1 0 319.449 3.457 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+]C2(C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000593079874 400755641 /nfs/dbraw/zinc/75/56/41/400755641.db2.gz ICAAYXNMNGBQNZ-LBPRGKRZSA-N 1 0 317.389 3.153 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000078576765 400811414 /nfs/dbraw/zinc/81/14/14/400811414.db2.gz BIBGYKMNNCJFIA-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000604304584 400762453 /nfs/dbraw/zinc/76/24/53/400762453.db2.gz QLICEQRMAMCUMR-DZGCQCFKSA-N 1 0 312.373 3.237 20 5 DGBDRO CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000053376425 400779596 /nfs/dbraw/zinc/77/95/96/400779596.db2.gz QUBGPKBFJFOZTE-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO CCC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000053377995 400779740 /nfs/dbraw/zinc/77/97/40/400779740.db2.gz CGTNGWHIELOSTE-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CCCc3ccccc32)cs1 ZINC000604532640 400785012 /nfs/dbraw/zinc/78/50/12/400785012.db2.gz IBRHUAOLJDOMTO-UHFFFAOYSA-N 1 0 317.414 3.199 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCC1=CCCCC1)OCCO2 ZINC000604532497 400785261 /nfs/dbraw/zinc/78/52/61/400785261.db2.gz WTFFWUNHBFJBAB-UHFFFAOYSA-N 1 0 318.373 3.346 20 5 DGBDRO O=[N+]([O-])c1ccccc1NCC[N@@H+]1CCc2sccc2C1 ZINC000053580140 400792159 /nfs/dbraw/zinc/79/21/59/400792159.db2.gz BEURNRYAQXYEOC-UHFFFAOYSA-N 1 0 303.387 3.127 20 5 DGBDRO CC(=O)c1ccc(NCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000078405984 400797624 /nfs/dbraw/zinc/79/76/24/400797624.db2.gz CVPDXMBRVZKGPF-CYBMUJFWSA-N 1 0 319.405 3.474 20 5 DGBDRO CCSCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244572 400854609 /nfs/dbraw/zinc/85/46/09/400854609.db2.gz RKYKAVPVSZYUCD-UHFFFAOYSA-N 1 0 310.419 3.191 20 5 DGBDRO CCC(=O)c1ccc(N[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000619481445 400854693 /nfs/dbraw/zinc/85/46/93/400854693.db2.gz RYTNPPMINAMRMY-GFCCVEGCSA-N 1 0 319.405 3.330 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676247 400855040 /nfs/dbraw/zinc/85/50/40/400855040.db2.gz FROZUCQDSIWTGM-ZFWWWQNUSA-N 1 0 306.406 3.169 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676243 400855845 /nfs/dbraw/zinc/85/58/45/400855845.db2.gz FROZUCQDSIWTGM-DZGCQCFKSA-N 1 0 306.406 3.169 20 5 DGBDRO O=[N+]([O-])c1c(NCC23CCC[NH+]2CCC3)ccc2ncccc21 ZINC000619570042 400868110 /nfs/dbraw/zinc/86/81/10/400868110.db2.gz TWJLTMXGJCVPMD-UHFFFAOYSA-N 1 0 312.373 3.183 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000599055356 400941411 /nfs/dbraw/zinc/94/14/11/400941411.db2.gz FLJKJTLQBIFASN-CHWSQXEVSA-N 1 0 308.378 3.071 20 5 DGBDRO CC(C)CC[C@@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599067547 400948642 /nfs/dbraw/zinc/94/86/42/400948642.db2.gz FPKYCPBRMILVIS-YOEHRIQHSA-N 1 0 306.406 3.359 20 5 DGBDRO C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069583 400948708 /nfs/dbraw/zinc/94/87/08/400948708.db2.gz HVZXIUGSXDYSBC-KBXCAEBGSA-N 1 0 317.433 3.294 20 5 DGBDRO CC(C)CC[C@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599067545 400948817 /nfs/dbraw/zinc/94/88/17/400948817.db2.gz FPKYCPBRMILVIS-RHSMWYFYSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@H](CCO)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000593695158 400893919 /nfs/dbraw/zinc/89/39/19/400893919.db2.gz XNTFPXMCGDBGIU-GFCCVEGCSA-N 1 0 304.346 3.058 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000619746268 400896952 /nfs/dbraw/zinc/89/69/52/400896952.db2.gz JIPAFCISEOAWOG-QWRGUYRKSA-N 1 0 319.386 3.334 20 5 DGBDRO C[C@@H](COCC1CC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000593722515 400899185 /nfs/dbraw/zinc/89/91/85/400899185.db2.gz STEOMMMZECBKJH-YVEFUNNKSA-N 1 0 304.390 3.377 20 5 DGBDRO Cc1cccc2c1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CO2 ZINC000598987136 400920461 /nfs/dbraw/zinc/92/04/61/400920461.db2.gz NUYCFXJGQCTUQA-ZDUSSCGKSA-N 1 0 316.332 3.136 20 5 DGBDRO Cc1ccc(C(C)(C)C[NH2+]Cc2csc([N+](=O)[O-])c2)nc1 ZINC000598990920 400922345 /nfs/dbraw/zinc/92/23/45/400922345.db2.gz KXDHSCHILYLBQJ-UHFFFAOYSA-N 1 0 305.403 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)c(F)c1 ZINC000598992075 400922645 /nfs/dbraw/zinc/92/26/45/400922645.db2.gz LAKFPBJKROWCMV-INIZCTEOSA-N 1 0 321.396 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)cc1 ZINC000598993056 400922927 /nfs/dbraw/zinc/92/29/27/400922927.db2.gz QASFQOHUTHVJJH-QGZVFWFLSA-N 1 0 303.406 3.091 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)c1 ZINC000598993197 400923489 /nfs/dbraw/zinc/92/34/89/400923489.db2.gz VGOQJLUUVJWKJP-QGZVFWFLSA-N 1 0 303.406 3.091 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3COC3)s2)cc1 ZINC000599013286 400926846 /nfs/dbraw/zinc/92/68/46/400926846.db2.gz ZGUSFXSFYSYOHT-UHFFFAOYSA-N 1 0 304.371 3.059 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000599036523 400934238 /nfs/dbraw/zinc/93/42/38/400934238.db2.gz UGWANRCUGIQAMB-CYBMUJFWSA-N 1 0 319.386 3.097 20 5 DGBDRO COc1cc(NC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000599163131 400981824 /nfs/dbraw/zinc/98/18/24/400981824.db2.gz BOUMVQRXQIPEQS-GFCCVEGCSA-N 1 0 323.368 3.171 20 5 DGBDRO COc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599164028 400982433 /nfs/dbraw/zinc/98/24/33/400982433.db2.gz HZYLYCQAUMBAOB-CYBMUJFWSA-N 1 0 305.378 3.032 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599166472 400983345 /nfs/dbraw/zinc/98/33/45/400983345.db2.gz WFZWDFMARJSNBB-MRXNPFEDSA-N 1 0 319.405 3.170 20 5 DGBDRO C[C@H](CN1CCCCC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237661397 400993965 /nfs/dbraw/zinc/99/39/65/400993965.db2.gz KSIAGROEPYCJIO-LOWQCSRCSA-N 1 0 303.406 3.072 20 5 DGBDRO C[N@@H+]1CCCC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000599141820 400974714 /nfs/dbraw/zinc/97/47/14/400974714.db2.gz RSMSRWKHJOCIQB-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000057156500 400976818 /nfs/dbraw/zinc/97/68/18/400976818.db2.gz DVZLXFGADDLPFK-CYBMUJFWSA-N 1 0 321.421 3.144 20 5 DGBDRO Cc1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000058563773 401060054 /nfs/dbraw/zinc/06/00/54/401060054.db2.gz ZHLKIPFGEBAQCV-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000058604559 401061322 /nfs/dbraw/zinc/06/13/22/401061322.db2.gz UXIPGSBEHHTOPU-HNNXBMFYSA-N 1 0 306.410 3.302 20 5 DGBDRO C[C@H]1C[NH+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000599514245 401064495 /nfs/dbraw/zinc/06/44/95/401064495.db2.gz WBPRAPFLBZQXRJ-RYUDHWBXSA-N 1 0 314.332 3.197 20 5 DGBDRO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000599514246 401064809 /nfs/dbraw/zinc/06/48/09/401064809.db2.gz WBPRAPFLBZQXRJ-TXEJJXNPSA-N 1 0 314.332 3.197 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)ccc1[N+](=O)[O-] ZINC000599553471 401075460 /nfs/dbraw/zinc/07/54/60/401075460.db2.gz WBVRIBOKKCMUDM-OLZOCXBDSA-N 1 0 308.403 3.073 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1c[nH]c2ncccc12 ZINC000594501060 401082976 /nfs/dbraw/zinc/08/29/76/401082976.db2.gz HMZXYXMAGBVWCA-INIZCTEOSA-N 1 0 322.368 3.291 20 5 DGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255582407 401105870 /nfs/dbraw/zinc/10/58/70/401105870.db2.gz AAHXIQCQTFFJTH-DBZNTZSBSA-N 1 0 315.417 3.167 20 5 DGBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2ccccc2c1 ZINC000599673493 401108499 /nfs/dbraw/zinc/10/84/99/401108499.db2.gz QVZFGFXVLGLYCM-UHFFFAOYSA-N 1 0 324.384 3.469 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000594592208 401119081 /nfs/dbraw/zinc/11/90/81/401119081.db2.gz QTZXMRNQFKXGLO-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO COc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC000594601889 401127389 /nfs/dbraw/zinc/12/73/89/401127389.db2.gz PJEAWTDARIKTGQ-OCCSQVGLSA-N 1 0 323.368 3.171 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599626995 401095468 /nfs/dbraw/zinc/09/54/68/401095468.db2.gz UERPGYALWNNMOA-XREXNNHRSA-N 1 0 322.405 3.284 20 5 DGBDRO C[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594519973 401098087 /nfs/dbraw/zinc/09/80/87/401098087.db2.gz VILCJPYAUXYOBI-FNOHHLHBSA-N 1 0 320.389 3.175 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594519385 401098102 /nfs/dbraw/zinc/09/81/02/401098102.db2.gz KGDYYXIJOOEUJS-XKQJLSEDSA-N 1 0 303.406 3.262 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594521248 401099163 /nfs/dbraw/zinc/09/91/63/401099163.db2.gz STYGJTLTHPLQQL-CVEARBPZSA-N 1 0 303.406 3.010 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCOC(C)(C)C1 ZINC000615835654 401160471 /nfs/dbraw/zinc/16/04/71/401160471.db2.gz XWZVJCKZKLEURY-GXDHUFHOSA-N 1 0 304.390 3.499 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC2(C)CCOCC2)cc1[N+](=O)[O-] ZINC000358253312 286011731 /nfs/dbraw/zinc/01/17/31/286011731.db2.gz WRCMBVDNVUOVOR-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc2ccccc2c1 ZINC000358273323 286017704 /nfs/dbraw/zinc/01/77/04/286017704.db2.gz JOPJFEVICSITGG-UHFFFAOYSA-N 1 0 324.384 3.467 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cnc(C2CC2)o1 ZINC000600139975 401191624 /nfs/dbraw/zinc/19/16/24/401191624.db2.gz YCYCFJCAXQGCDM-UHFFFAOYSA-N 1 0 321.764 3.446 20 5 DGBDRO CCCC[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000063493811 401195970 /nfs/dbraw/zinc/19/59/70/401195970.db2.gz WPSJACZMXONQPT-UHFFFAOYSA-N 1 0 307.394 3.354 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000063618820 401205320 /nfs/dbraw/zinc/20/53/20/401205320.db2.gz YNNPHDDLMFXVPJ-OAHLLOKOSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000088725954 401206650 /nfs/dbraw/zinc/20/66/50/401206650.db2.gz FOIKLMRJLDFDHQ-HNNXBMFYSA-N 1 0 303.406 3.215 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000088725953 401206749 /nfs/dbraw/zinc/20/67/49/401206749.db2.gz FOIKLMRJLDFDHQ-OAHLLOKOSA-N 1 0 303.406 3.215 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1([NH+](C)C)CCCC1 ZINC000595003304 401225778 /nfs/dbraw/zinc/22/57/78/401225778.db2.gz GQXNPBNRLPVLMS-CYBMUJFWSA-N 1 0 321.421 3.128 20 5 DGBDRO COc1cc(C[NH2+]CCCC2CCC2)c([N+](=O)[O-])cc1OC ZINC000594976902 401216262 /nfs/dbraw/zinc/21/62/62/401216262.db2.gz IFBYMXCIUPZIAB-UHFFFAOYSA-N 1 0 308.378 3.282 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(F)c1 ZINC000594976388 401216521 /nfs/dbraw/zinc/21/65/21/401216521.db2.gz CIYLCUYZHSLGFM-CQSZACIVSA-N 1 0 321.396 3.231 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000594982804 401217555 /nfs/dbraw/zinc/21/75/55/401217555.db2.gz HTTNXEKRNFANOH-HNNXBMFYSA-N 1 0 306.406 3.216 20 5 DGBDRO CC(C)[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000615966462 401188260 /nfs/dbraw/zinc/18/82/60/401188260.db2.gz ANFWEFZLCMEXCS-CJNGLKHVSA-N 1 0 316.405 3.419 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000090656203 401271630 /nfs/dbraw/zinc/27/16/30/401271630.db2.gz NTPWQNIUBSMYTK-SUNYJGFJSA-N 1 0 314.385 3.238 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccc(C)o1 ZINC000595006173 401227080 /nfs/dbraw/zinc/22/70/80/401227080.db2.gz GAOYDINVBGWMCE-GFCCVEGCSA-N 1 0 304.346 3.398 20 5 DGBDRO CC(C)n1cc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000089581020 401227498 /nfs/dbraw/zinc/22/74/98/401227498.db2.gz YVGDDIZHEFJSNT-CYBMUJFWSA-N 1 0 318.377 3.102 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccco1 ZINC000064114300 401229382 /nfs/dbraw/zinc/22/93/82/401229382.db2.gz ZJODHDHOGCVDBX-ZDUSSCGKSA-N 1 0 304.350 3.078 20 5 DGBDRO Cc1ccc([C@H](CNc2ncccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000064114098 401229671 /nfs/dbraw/zinc/22/96/71/401229671.db2.gz XKPMTJILFDJOOG-HNNXBMFYSA-N 1 0 300.362 3.013 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000595010802 401230760 /nfs/dbraw/zinc/23/07/60/401230760.db2.gz ZATOAXHXRCWHDI-GFCCVEGCSA-N 1 0 316.357 3.202 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOCCC(C)C ZINC000595016126 401232654 /nfs/dbraw/zinc/23/26/54/401232654.db2.gz QNUOQAIGHFPYTB-ZDUSSCGKSA-N 1 0 310.394 3.317 20 5 DGBDRO CC(C)=CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000359698805 286363522 /nfs/dbraw/zinc/36/35/22/286363522.db2.gz GOYJILBPAUVZQM-UHFFFAOYSA-N 1 0 314.389 3.441 20 5 DGBDRO COc1cccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000359724808 286368365 /nfs/dbraw/zinc/36/83/65/286368365.db2.gz URZNUIDGHYRYDF-UHFFFAOYSA-N 1 0 315.373 3.111 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000332198024 292297009 /nfs/dbraw/zinc/29/70/09/292297009.db2.gz HOEBVSRXNFYQJE-RZLSGREXSA-N 1 0 304.390 3.057 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000362667754 286847086 /nfs/dbraw/zinc/84/70/86/286847086.db2.gz HHISYUOTEJOVTF-ZIAGYGMSSA-N 1 0 300.362 3.038 20 5 DGBDRO C[C@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCO1 ZINC000167024382 164604488 /nfs/dbraw/zinc/60/44/88/164604488.db2.gz NFAUVCKHHUTLTC-NVXWUHKLSA-N 1 0 304.390 3.075 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CC[C@@]3(C2)OCc2ccccc23)cs1 ZINC000186445300 165043314 /nfs/dbraw/zinc/04/33/14/165043314.db2.gz HCURICRANVTAOP-INIZCTEOSA-N 1 0 316.382 3.288 20 5 DGBDRO CC(C)N(C)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000190800640 165217802 /nfs/dbraw/zinc/21/78/02/165217802.db2.gz LBRDELDZCVYRIH-UHFFFAOYSA-N 1 0 314.389 3.124 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000365128590 287100042 /nfs/dbraw/zinc/10/00/42/287100042.db2.gz ZGIHWVHMWDOZDS-QPJJXVBHSA-N 1 0 312.373 3.142 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000193863828 165333804 /nfs/dbraw/zinc/33/38/04/165333804.db2.gz HKCAORCSBVTRFH-CQSZACIVSA-N 1 0 300.362 3.006 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000262370934 165800474 /nfs/dbraw/zinc/80/04/74/165800474.db2.gz XNVWXAILMVHSCI-CYBMUJFWSA-N 1 0 317.776 3.138 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292837390 287152610 /nfs/dbraw/zinc/15/26/10/287152610.db2.gz AYVOLCJXQKSVHM-YOEHRIQHSA-N 1 0 303.406 3.074 20 5 DGBDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000365853497 287180877 /nfs/dbraw/zinc/18/08/77/287180877.db2.gz NKLMRSCQQIWXRL-DZGCQCFKSA-N 1 0 314.389 3.015 20 5 DGBDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000182127823 432160270 /nfs/dbraw/zinc/16/02/70/432160270.db2.gz FAYSJFCPKJRNEU-GFCCVEGCSA-N 1 0 313.357 3.404 20 5 DGBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000129458838 196050562 /nfs/dbraw/zinc/05/05/62/196050562.db2.gz AMDVZJCQLNXUFQ-QGZVFWFLSA-N 1 0 316.357 3.202 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000246841627 432171555 /nfs/dbraw/zinc/17/15/55/432171555.db2.gz CFJAEFSWEFTVPU-CABCVRRESA-N 1 0 305.422 3.286 20 5 DGBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000182187333 432164736 /nfs/dbraw/zinc/16/47/36/432164736.db2.gz ANHQRPKIRAOYSL-LBPRGKRZSA-N 1 0 311.813 3.022 20 5 DGBDRO C[C@@H](c1ccco1)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269660663 432194161 /nfs/dbraw/zinc/19/41/61/432194161.db2.gz QBMMGWZGWDRJKE-BLLLJJGKSA-N 1 0 316.357 3.447 20 5 DGBDRO C[C@H](C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000269653262 432194220 /nfs/dbraw/zinc/19/42/20/432194220.db2.gz NJTBFQHLKUADJS-KDOFPFPSSA-N 1 0 314.385 3.364 20 5 DGBDRO C[C@H](c1cccs1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269671937 432194820 /nfs/dbraw/zinc/19/48/20/432194820.db2.gz OBZHBJJQJCDITN-BXUZGUMPSA-N 1 0 306.387 3.383 20 5 DGBDRO C[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269686886 432197260 /nfs/dbraw/zinc/19/72/60/432197260.db2.gz GRWMZTFFLVDPBV-CXAGYDPISA-N 1 0 300.358 3.321 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1C ZINC000247096647 432201951 /nfs/dbraw/zinc/20/19/51/432201951.db2.gz XSYGAJMXPPUFCU-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000247195823 432211711 /nfs/dbraw/zinc/21/17/11/432211711.db2.gz VZJNBZBRPMORJD-KFWWJZLASA-N 1 0 305.422 3.366 20 5 DGBDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000247244776 432215505 /nfs/dbraw/zinc/21/55/05/432215505.db2.gz WXNUCEVRTQDLOK-PBHICJAKSA-N 1 0 314.389 3.183 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000151116964 432221246 /nfs/dbraw/zinc/22/12/46/432221246.db2.gz NORPLVBVRLWTDO-GJZGRUSLSA-N 1 0 305.422 3.286 20 5 DGBDRO CC[N@H+](Cc1cnn(C)c1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182734100 432222778 /nfs/dbraw/zinc/22/27/78/432222778.db2.gz POFZQUBIIGYREH-CYBMUJFWSA-N 1 0 302.378 3.220 20 5 DGBDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151153525 432223251 /nfs/dbraw/zinc/22/32/51/432223251.db2.gz SXTWOIWWOTXTHV-LLVKDONJSA-N 1 0 302.378 3.104 20 5 DGBDRO Cc1ncsc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000132346119 196247903 /nfs/dbraw/zinc/24/79/03/196247903.db2.gz NJLUVNZIXDGTFL-AWEZNQCLSA-N 1 0 317.414 3.471 20 5 DGBDRO CC(C)(CO)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000291004183 222065409 /nfs/dbraw/zinc/06/54/09/222065409.db2.gz WGUUPBDBRVZSHO-CQSZACIVSA-N 1 0 312.797 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCN(C2CC2)CC1 ZINC000297787689 227569985 /nfs/dbraw/zinc/56/99/85/227569985.db2.gz WPYHVMFUYQQAFG-UHFFFAOYSA-N 1 0 323.824 3.007 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)C[NH+]1CCCC1 ZINC000301146558 229528233 /nfs/dbraw/zinc/52/82/33/229528233.db2.gz KAFXVPIMEWIYAS-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1cc(N(C)C[C@H]2CCC[C@@H]2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302056617 230069846 /nfs/dbraw/zinc/06/98/46/230069846.db2.gz AXGMEGNWSVFRGB-PXAZEXFGSA-N 1 0 315.373 3.049 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413174539 230144623 /nfs/dbraw/zinc/14/46/23/230144623.db2.gz QGDYAYVWFICQFD-KGLIPLIRSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1cc(N(C)Cc2ccncc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302201666 230158278 /nfs/dbraw/zinc/15/82/78/230158278.db2.gz VJECWXHCVVJMAP-UHFFFAOYSA-N 1 0 308.341 3.483 20 5 DGBDRO O=[N+]([O-])c1ccc(NCCNc2cc[nH+]c3ccccc23)cc1 ZINC000346611687 264064976 /nfs/dbraw/zinc/06/49/76/264064976.db2.gz OTWFWWGNJGDWSQ-UHFFFAOYSA-N 1 0 308.341 3.089 20 5 DGBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346671771 264077744 /nfs/dbraw/zinc/07/77/44/264077744.db2.gz HCOZZDKJGYSWGI-HNNXBMFYSA-N 1 0 315.373 3.039 20 5 DGBDRO C[C@H]1[NH2+]CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C ZINC000346687096 264079319 /nfs/dbraw/zinc/07/93/19/264079319.db2.gz VKDDLXAGHISGJF-CHWSQXEVSA-N 1 0 315.373 3.037 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000346785446 264097077 /nfs/dbraw/zinc/09/70/77/264097077.db2.gz CMJKFZSTSYWRKQ-GZBFAFLISA-N 1 0 321.421 3.127 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346984159 264133460 /nfs/dbraw/zinc/13/34/60/264133460.db2.gz OHHOGJACQLBPDK-HNNXBMFYSA-N 1 0 313.357 3.206 20 5 DGBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H]1C ZINC000347272083 264187314 /nfs/dbraw/zinc/18/73/14/264187314.db2.gz DFNYYMTWQHXSFP-WFASDCNBSA-N 1 0 320.389 3.102 20 5 DGBDRO CCN(CC[NH+]1CCCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000347313880 264195617 /nfs/dbraw/zinc/19/56/17/264195617.db2.gz OQQVVQWMBSAPFV-UHFFFAOYSA-N 1 0 305.422 3.293 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCCCO)C1CC1 ZINC000347332514 264198784 /nfs/dbraw/zinc/19/87/84/264198784.db2.gz GJJBVRQBIYPOQV-SDNWHVSQSA-N 1 0 304.390 3.235 20 5 DGBDRO CCOc1cc(N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000347413849 264216976 /nfs/dbraw/zinc/21/69/76/264216976.db2.gz NOBNDWZMALUNQR-ZDUSSCGKSA-N 1 0 321.421 3.160 20 5 DGBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cc2ccccc2s1 ZINC000348189618 264360594 /nfs/dbraw/zinc/36/05/94/264360594.db2.gz XGBJXWWJKADOOM-JTQLQIEISA-N 1 0 316.386 3.394 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCSC2)n1 ZINC000348199196 264363513 /nfs/dbraw/zinc/36/35/13/264363513.db2.gz OXEGKDVFXGLSOQ-MGPQQGTHSA-N 1 0 324.450 3.008 20 5 DGBDRO C[NH+](C)CCN(Cc1ccco1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349189611 264496546 /nfs/dbraw/zinc/49/65/46/264496546.db2.gz HJIIZEPLUFUWNZ-UHFFFAOYSA-N 1 0 323.780 3.409 20 5 DGBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000352313873 265000071 /nfs/dbraw/zinc/00/00/71/265000071.db2.gz HIVADAQMKNDPBT-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000352393118 265031548 /nfs/dbraw/zinc/03/15/48/265031548.db2.gz YQLAUXNROXWJCF-ZDUSSCGKSA-N 1 0 322.409 3.145 20 5 DGBDRO C[N@H+](CCCO[C@H]1CCCCO1)CCc1ccccc1[N+](=O)[O-] ZINC000352560372 265089148 /nfs/dbraw/zinc/08/91/48/265089148.db2.gz DTOCSKWKUMGFLW-KRWDZBQOSA-N 1 0 322.405 3.002 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353017274 265267823 /nfs/dbraw/zinc/26/78/23/265267823.db2.gz BROHBFAILQCPOC-WDEREUQCSA-N 1 0 300.305 3.217 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cnn2ccccc12 ZINC000353040084 265276066 /nfs/dbraw/zinc/27/60/66/265276066.db2.gz SJJDUOKXVJDWNB-FNORWQNLSA-N 1 0 308.341 3.046 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]cc2c1 ZINC000353287073 265375181 /nfs/dbraw/zinc/37/51/81/265375181.db2.gz OBJLBQNGXHWLHG-GFCCVEGCSA-N 1 0 310.357 3.364 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(O)CCC1 ZINC000355368188 266053614 /nfs/dbraw/zinc/05/36/14/266053614.db2.gz PNUKSRPNWNBQIC-UHFFFAOYSA-N 1 0 316.357 3.202 20 5 DGBDRO COc1ccc(C[NH2+]CC2(OC)CCC(C)CC2)cc1[N+](=O)[O-] ZINC000355419260 266069335 /nfs/dbraw/zinc/06/93/35/266069335.db2.gz HDTAAGSCNBWOEE-UHFFFAOYSA-N 1 0 322.405 3.288 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000355508490 266097704 /nfs/dbraw/zinc/09/77/04/266097704.db2.gz KUZFPDZRNKWXKL-LBPRGKRZSA-N 1 0 322.405 3.480 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000182853855 432236951 /nfs/dbraw/zinc/23/69/51/432236951.db2.gz HBXITKKIUVVVHM-JJRVBVJISA-N 1 0 304.390 3.465 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccccn1)C1CC1 ZINC000151385615 432243210 /nfs/dbraw/zinc/24/32/10/432243210.db2.gz OJJIQMKOOHWZNH-KRWDZBQOSA-N 1 0 311.385 3.143 20 5 DGBDRO CCC1(CO)CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182975249 432246540 /nfs/dbraw/zinc/24/65/40/432246540.db2.gz LKOSTJWPSXUCOU-AWEZNQCLSA-N 1 0 306.406 3.449 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191308354 432248955 /nfs/dbraw/zinc/24/89/55/432248955.db2.gz VCQLFFKEYWYJJB-FZMZJTMJSA-N 1 0 305.378 3.090 20 5 DGBDRO CCOc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000368601396 271179479 /nfs/dbraw/zinc/17/94/79/271179479.db2.gz FTMZTADAASZALC-CHWSQXEVSA-N 1 0 305.378 3.032 20 5 DGBDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000372095369 271507377 /nfs/dbraw/zinc/50/73/77/271507377.db2.gz NXSJSVNLPAMYCD-AFAVFJNCSA-N 1 0 304.390 3.451 20 5 DGBDRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000183058407 432255023 /nfs/dbraw/zinc/25/50/23/432255023.db2.gz KGDPCRUSECHLJH-AAEUAGOBSA-N 1 0 307.394 3.256 20 5 DGBDRO CC(C)[NH2+]C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492112267 273539719 /nfs/dbraw/zinc/53/97/19/273539719.db2.gz WJMCNCJXWJJTEE-UHFFFAOYSA-N 1 0 311.813 3.211 20 5 DGBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191680245 273610037 /nfs/dbraw/zinc/61/00/37/273610037.db2.gz KKKOIVFMDBBOQP-UHFFFAOYSA-N 1 0 322.409 3.099 20 5 DGBDRO C[NH+](C)C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000429199435 273792261 /nfs/dbraw/zinc/79/22/61/273792261.db2.gz ANOMSDQQHHUYLT-UHFFFAOYSA-N 1 0 318.204 3.432 20 5 DGBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485389991 273797414 /nfs/dbraw/zinc/79/74/14/273797414.db2.gz LSKHRLSCQAQFHO-UHFFFAOYSA-N 1 0 321.377 3.450 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCOC1 ZINC000294594837 274251803 /nfs/dbraw/zinc/25/18/03/274251803.db2.gz NHBWAJTWPBFMOT-NXEZZACHSA-N 1 0 318.295 3.128 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000265056671 274286578 /nfs/dbraw/zinc/28/65/78/274286578.db2.gz MFZMMZYBRNAQKT-CABCVRRESA-N 1 0 318.421 3.081 20 5 DGBDRO C[C@@H]1CC[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339680118 274300946 /nfs/dbraw/zinc/30/09/46/274300946.db2.gz BSUWNNNJXGLPDK-SNVBAGLBSA-N 1 0 317.311 3.144 20 5 DGBDRO C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)C[NH+]1CCCCC1 ZINC000302400491 274492199 /nfs/dbraw/zinc/49/21/99/274492199.db2.gz DXALKJXRMPZHSW-CYBMUJFWSA-N 1 0 318.421 3.097 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449181824 274498968 /nfs/dbraw/zinc/49/89/68/274498968.db2.gz BJRRGWCZCLLMBU-HIFRSBDPSA-N 1 0 304.390 3.217 20 5 DGBDRO Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461954775 274711201 /nfs/dbraw/zinc/71/12/01/274711201.db2.gz DVJCBLVKIZRIFA-ZDUSSCGKSA-N 1 0 307.369 3.107 20 5 DGBDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1ncc([N+](=O)[O-])s1)[NH+](C)C ZINC000343818053 274809546 /nfs/dbraw/zinc/80/95/46/274809546.db2.gz YWLOGDOABDNHQM-BXUZGUMPSA-N 1 0 320.418 3.463 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000301751543 275037004 /nfs/dbraw/zinc/03/70/04/275037004.db2.gz BCVWXBGWMVVERT-GUYCJALGSA-N 1 0 301.390 3.048 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccncc21 ZINC000301084639 275037079 /nfs/dbraw/zinc/03/70/79/275037079.db2.gz LWJOJYPMVIWPMA-RDJZCZTQSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCCCC1)CCC2 ZINC000192793675 275037640 /nfs/dbraw/zinc/03/76/40/275037640.db2.gz CMTLZKOJUAFSAD-INIZCTEOSA-N 1 0 304.390 3.257 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)c1ccccc1)CCC2 ZINC000278156543 275038050 /nfs/dbraw/zinc/03/80/50/275038050.db2.gz APMKNSDSZZFQHX-ROUUACIJSA-N 1 0 312.369 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(CO)CCC1)CCCC2 ZINC000417339672 275038075 /nfs/dbraw/zinc/03/80/75/275038075.db2.gz ITABCBDDOYXOAS-MRXNPFEDSA-N 1 0 304.390 3.115 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000433270357 275867843 /nfs/dbraw/zinc/86/78/43/275867843.db2.gz DEIYLJWMPHBCQT-AFAVFJNCSA-N 1 0 318.417 3.458 20 5 DGBDRO CC(C)c1cc(NCc2cccc([N+](=O)[O-])c2)nc(N(C)C)[nH+]1 ZINC000524686123 429630842 /nfs/dbraw/zinc/63/08/42/429630842.db2.gz GKDZIFJKAISQSR-UHFFFAOYSA-N 1 0 315.377 3.186 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447534887 276105163 /nfs/dbraw/zinc/10/51/63/276105163.db2.gz AQWJZQDFSMKWOF-DYVFJYSZSA-N 1 0 305.422 3.292 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCN2CCCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433128564 276143140 /nfs/dbraw/zinc/14/31/40/276143140.db2.gz BAOHHGUVNSXNHT-QGZVFWFLSA-N 1 0 317.433 3.393 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000491975637 276241746 /nfs/dbraw/zinc/24/17/46/276241746.db2.gz DTNCNZQZELBEPJ-NWDGAFQWSA-N 1 0 311.813 3.163 20 5 DGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414241753 277317637 /nfs/dbraw/zinc/31/76/37/277317637.db2.gz PBFDPLBYVANFFY-XNJGSVPQSA-N 1 0 306.406 3.319 20 5 DGBDRO CO[C@@H]([C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000453389311 277639387 /nfs/dbraw/zinc/63/93/87/277639387.db2.gz XGXIPXGSEFUXEQ-GOPGUHFVSA-N 1 0 304.390 3.375 20 5 DGBDRO C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000616058739 430583186 /nfs/dbraw/zinc/58/31/86/430583186.db2.gz NERYQHBKJRZLJX-GFCCVEGCSA-N 1 0 314.389 3.285 20 5 DGBDRO CCCCOCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447518713 278710801 /nfs/dbraw/zinc/71/08/01/278710801.db2.gz WPJWUJURCQQYBO-HUUCEWRRSA-N 1 0 324.425 3.071 20 5 DGBDRO Cc1nc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301678113 279101864 /nfs/dbraw/zinc/10/18/64/279101864.db2.gz TYKJMZGSNLWODH-CYBMUJFWSA-N 1 0 314.389 3.231 20 5 DGBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272044124 279157923 /nfs/dbraw/zinc/15/79/23/279157923.db2.gz RQPPOALWGJKJRZ-HNNXBMFYSA-N 1 0 312.797 3.375 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C)CC2)cccc1[N+](=O)[O-] ZINC000068829623 431144534 /nfs/dbraw/zinc/14/45/34/431144534.db2.gz RJXPHHVLGGLPTE-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000111385521 431218895 /nfs/dbraw/zinc/21/88/95/431218895.db2.gz QIDCUOVKKMLUKA-UHFFFAOYSA-N 1 0 306.387 3.184 20 5 DGBDRO CC1(C)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000112702612 431298647 /nfs/dbraw/zinc/29/86/47/431298647.db2.gz PKUZRXRHMXATSH-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000071895721 431310148 /nfs/dbraw/zinc/31/01/48/431310148.db2.gz KNFIOBLFNPZIPX-MRXNPFEDSA-N 1 0 303.337 3.449 20 5 DGBDRO CCCC[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072037512 431327589 /nfs/dbraw/zinc/32/75/89/431327589.db2.gz RGZPIADDNIVKPM-UHFFFAOYSA-N 1 0 307.394 3.354 20 5 DGBDRO CCOCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113310912 431341755 /nfs/dbraw/zinc/34/17/55/431341755.db2.gz OTAVYSGBCLTERL-UHFFFAOYSA-N 1 0 321.402 3.235 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007379467 431344070 /nfs/dbraw/zinc/34/40/70/431344070.db2.gz JJWAMTNEWQTVCP-CHWSQXEVSA-N 1 0 313.357 3.273 20 5 DGBDRO CC(C)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000074994097 431448981 /nfs/dbraw/zinc/44/89/81/431448981.db2.gz NMKOZOMLOPUPFL-ZDUSSCGKSA-N 1 0 320.389 3.329 20 5 DGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000075451191 431475442 /nfs/dbraw/zinc/47/54/42/431475442.db2.gz BXGYHPAPKHNBIP-UHFFFAOYSA-N 1 0 321.421 3.035 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3O)o2)c1 ZINC000116342984 431504468 /nfs/dbraw/zinc/50/44/68/431504468.db2.gz WHSXNTFXQGMZCR-CVEARBPZSA-N 1 0 316.357 3.248 20 5 DGBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000076612826 431557877 /nfs/dbraw/zinc/55/78/77/431557877.db2.gz PQANTHRTAJNELJ-KRWDZBQOSA-N 1 0 315.373 3.149 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000249136817 280374202 /nfs/dbraw/zinc/37/42/02/280374202.db2.gz VOIXTUKJOVJGNN-WTTBNOFXSA-N 1 0 318.417 3.057 20 5 DGBDRO COCc1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000077289221 431582153 /nfs/dbraw/zinc/58/21/53/431582153.db2.gz ORBVEVSZHNHERV-UHFFFAOYSA-N 1 0 300.358 3.339 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000119405085 431689635 /nfs/dbraw/zinc/68/96/35/431689635.db2.gz CXBAJPPPKJUTFJ-VERVWZFWSA-N 1 0 318.398 3.183 20 5 DGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414197883 280584817 /nfs/dbraw/zinc/58/48/17/280584817.db2.gz CEBLQVFKXYKPAE-VUNQQRPYSA-N 1 0 318.417 3.463 20 5 DGBDRO CC(C)CCO[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000083248140 431810100 /nfs/dbraw/zinc/81/01/00/431810100.db2.gz USAPBGSUVYTBEO-OAHLLOKOSA-N 1 0 322.405 3.111 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000121404366 431780334 /nfs/dbraw/zinc/78/03/34/431780334.db2.gz ZLFCJRMCTMWOBV-CQSZACIVSA-N 1 0 306.410 3.365 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000123590504 431869196 /nfs/dbraw/zinc/86/91/96/431869196.db2.gz PBQNQDANVKKERO-CYBMUJFWSA-N 1 0 317.389 3.106 20 5 DGBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000047406830 431909819 /nfs/dbraw/zinc/90/98/19/431909819.db2.gz IROFIICFPPLBMA-VXGBXAGGSA-N 1 0 316.361 3.123 20 5 DGBDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000125381477 431922804 /nfs/dbraw/zinc/92/28/04/431922804.db2.gz KVGZLWIAFXHABK-STQMWFEESA-N 1 0 320.389 3.472 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000125408526 431923643 /nfs/dbraw/zinc/92/36/43/431923643.db2.gz BERVATRTBPGVEN-KRWDZBQOSA-N 1 0 313.357 3.206 20 5 DGBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000123823308 431875424 /nfs/dbraw/zinc/87/54/24/431875424.db2.gz RCMANENCELSSPA-WCQYABFASA-N 1 0 312.797 3.374 20 5 DGBDRO Cc1cnc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000124269923 431887941 /nfs/dbraw/zinc/88/79/41/431887941.db2.gz IHEOITAHBUIGQJ-NSHDSACASA-N 1 0 307.375 3.089 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000124827986 431906011 /nfs/dbraw/zinc/90/60/11/431906011.db2.gz RUZQNQXFEXQRQB-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000124827759 431906097 /nfs/dbraw/zinc/90/60/97/431906097.db2.gz RUZQNQXFEXQRQB-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@H](c1cccnc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000127756007 431980029 /nfs/dbraw/zinc/98/00/29/431980029.db2.gz RZMGSZNLUBBRTG-CYBMUJFWSA-N 1 0 301.346 3.062 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1CC1 ZINC000053184504 431961393 /nfs/dbraw/zinc/96/13/93/431961393.db2.gz XPRISYKPFJEWTO-SNVBAGLBSA-N 1 0 302.334 3.048 20 5 DGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000053580514 431964234 /nfs/dbraw/zinc/96/42/34/431964234.db2.gz PBCVDUJMMPKPIP-ZFWWWQNUSA-N 1 0 312.373 3.237 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000245517671 281021873 /nfs/dbraw/zinc/02/18/73/281021873.db2.gz HBXITKKIUVVVHM-VBQJREDUSA-N 1 0 304.390 3.465 20 5 DGBDRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173321290 432271793 /nfs/dbraw/zinc/27/17/93/432271793.db2.gz HOIMLGBSBATDJO-LBPRGKRZSA-N 1 0 313.357 3.404 20 5 DGBDRO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173321304 432272100 /nfs/dbraw/zinc/27/21/00/432272100.db2.gz HOIMLGBSBATDJO-GFCCVEGCSA-N 1 0 313.357 3.404 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(CO)c1 ZINC000183236465 432273217 /nfs/dbraw/zinc/27/32/17/432273217.db2.gz NADHSBJCLDUCAI-OLZOCXBDSA-N 1 0 300.358 3.499 20 5 DGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173411789 432277393 /nfs/dbraw/zinc/27/73/93/432277393.db2.gz HJCPDDYZQDSYNJ-ZDUSSCGKSA-N 1 0 313.357 3.274 20 5 DGBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183682019 432316793 /nfs/dbraw/zinc/31/67/93/432316793.db2.gz BYSJWYCYJIQDSF-ZDUSSCGKSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@H](C[N@H+](C)CCOc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183983251 432342738 /nfs/dbraw/zinc/34/27/38/432342738.db2.gz XVVMPGKQFFWAOP-GFCCVEGCSA-N 1 0 321.402 3.166 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173898052 432305679 /nfs/dbraw/zinc/30/56/79/432305679.db2.gz RFAWMKPVBUISQL-LBPRGKRZSA-N 1 0 311.813 3.022 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000152198546 432313213 /nfs/dbraw/zinc/31/32/13/432313213.db2.gz RZBPMFQSONNMID-YUDUHTQSSA-N 1 0 302.374 3.203 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191921050 432314966 /nfs/dbraw/zinc/31/49/66/432314966.db2.gz PPNAKSOLAABTIC-WBVHZDCISA-N 1 0 316.332 3.354 20 5 DGBDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000152216555 432315845 /nfs/dbraw/zinc/31/58/45/432315845.db2.gz UQQLSIPTSLWIGO-DDWPSWQVSA-N 1 0 302.374 3.203 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000251791393 432372756 /nfs/dbraw/zinc/37/27/56/432372756.db2.gz LOPKSPHJLLTQDH-XDQVBPFNSA-N 1 0 319.405 3.336 20 5 DGBDRO COC(=O)C1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000192445693 432375201 /nfs/dbraw/zinc/37/52/01/432375201.db2.gz LDAWRJPTLNAYQP-OPFPJEHXSA-N 1 0 320.389 3.286 20 5 DGBDRO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192525953 432383370 /nfs/dbraw/zinc/38/33/70/432383370.db2.gz CRQVOYWZNGTJOG-QWRGUYRKSA-N 1 0 310.423 3.116 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000153148599 432386864 /nfs/dbraw/zinc/38/68/64/432386864.db2.gz SSRUJDDIWPPIQN-TZMCWYRMSA-N 1 0 310.394 3.051 20 5 DGBDRO CCc1nnc([C@@H](C)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271425151 432392688 /nfs/dbraw/zinc/39/26/88/432392688.db2.gz CKKMSRZCAJOKOW-MFKMUULPSA-N 1 0 303.366 3.077 20 5 DGBDRO CCC(CC)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192698710 432401789 /nfs/dbraw/zinc/40/17/89/432401789.db2.gz MMNFRERWAINBSP-VIFPVBQESA-N 1 0 313.785 3.353 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000271485993 432405836 /nfs/dbraw/zinc/40/58/36/432405836.db2.gz DWMJSRVSSGJPNL-MELADBBJSA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1O ZINC000250081605 432363925 /nfs/dbraw/zinc/36/39/25/432363925.db2.gz PFMHNSLPRXTFNE-MLGOLLRUSA-N 1 0 316.357 3.058 20 5 DGBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000271273977 432366125 /nfs/dbraw/zinc/36/61/25/432366125.db2.gz KKJUYSNXVMQESF-MLGOLLRUSA-N 1 0 316.357 3.058 20 5 DGBDRO COc1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000184232368 432369435 /nfs/dbraw/zinc/36/94/35/432369435.db2.gz AISVKTRHCURYNL-VXGBXAGGSA-N 1 0 308.353 3.365 20 5 DGBDRO COc1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000184232385 432369940 /nfs/dbraw/zinc/36/99/40/432369940.db2.gz AISVKTRHCURYNL-RYUDHWBXSA-N 1 0 308.353 3.365 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000192942678 432432172 /nfs/dbraw/zinc/43/21/72/432432172.db2.gz RMQKTGZNDJOWBR-RVZJWNSFSA-N 1 0 315.417 3.187 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@](C)(O)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000153758158 432439743 /nfs/dbraw/zinc/43/97/43/432439743.db2.gz XQNRKCNDWHUMSZ-IIYDPXPESA-N 1 0 324.421 3.441 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCO[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000193092172 432448968 /nfs/dbraw/zinc/44/89/68/432448968.db2.gz OCFFBRKTSUPHLY-CJNGLKHVSA-N 1 0 308.378 3.097 20 5 DGBDRO CC1(C)[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCO[C@@H]21 ZINC000153907015 432455252 /nfs/dbraw/zinc/45/52/52/432455252.db2.gz DAHAAHBBLVBQFT-XBFCOCLRSA-N 1 0 310.781 3.151 20 5 DGBDRO Cc1cnc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])s1 ZINC000185009671 432456332 /nfs/dbraw/zinc/45/63/32/432456332.db2.gz BLNMTGIZHPZDNX-LLVKDONJSA-N 1 0 307.375 3.089 20 5 DGBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000261883402 432457898 /nfs/dbraw/zinc/45/78/98/432457898.db2.gz UMYVXJMCCBCXMO-KGLIPLIRSA-N 1 0 319.408 3.197 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000184591916 432409072 /nfs/dbraw/zinc/40/90/72/432409072.db2.gz QYNFHTMFCFCCQC-BXUZGUMPSA-N 1 0 316.361 3.313 20 5 DGBDRO CCOC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175234001 432413903 /nfs/dbraw/zinc/41/39/03/432413903.db2.gz LBVHGQZZERHSBV-AWEZNQCLSA-N 1 0 322.405 3.242 20 5 DGBDRO Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271527014 432414435 /nfs/dbraw/zinc/41/44/35/432414435.db2.gz REVBVLVRRZYFIT-CZUORRHYSA-N 1 0 314.389 3.127 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCOc2ncccc2F)cccc1[N+](=O)[O-] ZINC000271530637 432416419 /nfs/dbraw/zinc/41/64/19/432416419.db2.gz QZECUXGENBDNGX-LBPRGKRZSA-N 1 0 319.336 3.167 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000192851696 432421632 /nfs/dbraw/zinc/42/16/32/432421632.db2.gz MGYSHQSWNANGBP-RYUDHWBXSA-N 1 0 302.378 3.357 20 5 DGBDRO CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192874730 432424505 /nfs/dbraw/zinc/42/45/05/432424505.db2.gz ABMNDSXQMHZOER-IVZQSRNASA-N 1 0 324.446 3.109 20 5 DGBDRO CCc1nc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cs1 ZINC000184726606 432425707 /nfs/dbraw/zinc/42/57/07/432425707.db2.gz BFDZQFZSPUXRON-LLVKDONJSA-N 1 0 321.402 3.343 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C[NH2+]1 ZINC000262048348 432471505 /nfs/dbraw/zinc/47/15/05/432471505.db2.gz PZCDPLFWZKQNDA-STQMWFEESA-N 1 0 315.373 3.037 20 5 DGBDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000175863273 432473099 /nfs/dbraw/zinc/47/30/99/432473099.db2.gz DMVKRMHVNFJIEY-CQSZACIVSA-N 1 0 320.414 3.430 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)C(C)(C)C ZINC000185189046 432474993 /nfs/dbraw/zinc/47/49/93/432474993.db2.gz HCPKYSIICJPKFP-CJNGLKHVSA-N 1 0 308.422 3.303 20 5 DGBDRO Cc1c(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000262511732 432490322 /nfs/dbraw/zinc/49/03/22/432490322.db2.gz NARPQPVKLDKUMD-CJNGLKHVSA-N 1 0 305.422 3.304 20 5 DGBDRO CC(C)(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000176216252 432500941 /nfs/dbraw/zinc/50/09/41/432500941.db2.gz ATLMXNQGYZAUMF-HNNXBMFYSA-N 1 0 320.368 3.307 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000176227773 432503250 /nfs/dbraw/zinc/50/32/50/432503250.db2.gz YACOMZSOXWQLLO-MRXNPFEDSA-N 1 0 314.389 3.061 20 5 DGBDRO Cc1ccc([C@H]2CCCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176251497 432504819 /nfs/dbraw/zinc/50/48/19/432504819.db2.gz AYTJJOKNJATTRM-CQSZACIVSA-N 1 0 318.377 3.310 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000185576657 432511076 /nfs/dbraw/zinc/51/10/76/432511076.db2.gz GWOFSHDNQTVRLO-SUMWQHHRSA-N 1 0 312.369 3.292 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000153966919 432461410 /nfs/dbraw/zinc/46/14/10/432461410.db2.gz AJTYVSXIQPUGOF-VXGBXAGGSA-N 1 0 318.377 3.139 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000193328123 432467197 /nfs/dbraw/zinc/46/71/97/432467197.db2.gz KSRGOOCIBDGQOL-RISCZKNCSA-N 1 0 316.361 3.313 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1[NH3+] ZINC000262041004 432469707 /nfs/dbraw/zinc/46/97/07/432469707.db2.gz PBYBVLMHOABLDL-FZMZJTMJSA-N 1 0 317.414 3.102 20 5 DGBDRO CC(=O)c1ccc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000194083760 432523169 /nfs/dbraw/zinc/52/31/69/432523169.db2.gz PYUMASPWXXDVFM-UHFFFAOYSA-N 1 0 317.389 3.084 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000185688198 432523904 /nfs/dbraw/zinc/52/39/04/432523904.db2.gz DKYZCMNMGWLTQG-KSSFIOAISA-N 1 0 313.401 3.376 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000273194309 432564522 /nfs/dbraw/zinc/56/45/22/432564522.db2.gz HMZSVMMBDSISGU-KBXCAEBGSA-N 1 0 314.385 3.239 20 5 DGBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000185825217 432536539 /nfs/dbraw/zinc/53/65/39/432536539.db2.gz PEUNHGZJCWISMH-IBUXWKBASA-N 1 0 316.357 3.272 20 5 DGBDRO C[C@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F)c1nccs1 ZINC000273084781 432547848 /nfs/dbraw/zinc/54/78/48/432547848.db2.gz LUVGSZHTYBSDKB-SNVBAGLBSA-N 1 0 309.366 3.426 20 5 DGBDRO C[C@@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F)c1nccs1 ZINC000273084780 432548004 /nfs/dbraw/zinc/54/80/04/432548004.db2.gz LUVGSZHTYBSDKB-JTQLQIEISA-N 1 0 309.366 3.426 20 5 DGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000177307430 432610272 /nfs/dbraw/zinc/61/02/72/432610272.db2.gz QOWHMRDQLKVXEC-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000186480938 432599077 /nfs/dbraw/zinc/59/90/77/432599077.db2.gz ILZRQBLGFUIUTO-ZDUSSCGKSA-N 1 0 324.384 3.375 20 5 DGBDRO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000186521879 432604036 /nfs/dbraw/zinc/60/40/36/432604036.db2.gz MISHHFKNRNOFHU-JTQLQIEISA-N 1 0 324.764 3.369 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCC[C@H](C)C1 ZINC000156683518 432604231 /nfs/dbraw/zinc/60/42/31/432604231.db2.gz LRMHAZFBNIBATN-ZFWWWQNUSA-N 1 0 305.422 3.286 20 5 DGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000264199933 432626787 /nfs/dbraw/zinc/62/67/87/432626787.db2.gz PGLLUFKJZWQKMV-OAHLLOKOSA-N 1 0 320.389 3.472 20 5 DGBDRO CCOc1cccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000273850550 432632348 /nfs/dbraw/zinc/63/23/48/432632348.db2.gz JSPGWUGCQOHZFT-CQSZACIVSA-N 1 0 319.405 3.058 20 5 DGBDRO COc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000158008956 432634290 /nfs/dbraw/zinc/63/42/90/432634290.db2.gz DEWUXUWVDRFZNP-VXGBXAGGSA-N 1 0 308.378 3.090 20 5 DGBDRO CO[C@H](C)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264542469 432657469 /nfs/dbraw/zinc/65/74/69/432657469.db2.gz RKPVAXHBKNAHSK-GFCCVEGCSA-N 1 0 304.346 3.369 20 5 DGBDRO Cc1nc(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cs1 ZINC000218988079 432661034 /nfs/dbraw/zinc/66/10/34/432661034.db2.gz QBRZPTMKTIJPKQ-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000178098822 432695171 /nfs/dbraw/zinc/69/51/71/432695171.db2.gz OHGYMXCCIYNLHH-CHWSQXEVSA-N 1 0 319.405 3.001 20 5 DGBDRO Cc1cc(N2CC[C@H](O)C(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000275478058 432726373 /nfs/dbraw/zinc/72/63/73/432726373.db2.gz PFEHDCFYYLCHSP-INIZCTEOSA-N 1 0 315.373 3.049 20 5 DGBDRO Cc1c([C@@H](C)NC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000178255306 432712159 /nfs/dbraw/zinc/71/21/59/432712159.db2.gz GPVCDEQHGVCBIS-CQSZACIVSA-N 1 0 317.433 3.428 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000159186385 432674637 /nfs/dbraw/zinc/67/46/37/432674637.db2.gz MFZRFTSLUOFRTJ-JQFCIGGWSA-N 1 0 306.406 3.495 20 5 DGBDRO CC(C)[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000236597309 432749271 /nfs/dbraw/zinc/74/92/71/432749271.db2.gz WKNRWZRUYXORMH-OAHLLOKOSA-N 1 0 320.414 3.430 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CSC ZINC000178566477 432753520 /nfs/dbraw/zinc/75/35/20/432753520.db2.gz ORUNZDFXCOUTLY-CQSZACIVSA-N 1 0 310.419 3.321 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])cc1 ZINC000178656358 432763587 /nfs/dbraw/zinc/76/35/87/432763587.db2.gz SWQNJBFRBDXQME-CYBMUJFWSA-N 1 0 312.369 3.423 20 5 DGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178718266 432770103 /nfs/dbraw/zinc/77/01/03/432770103.db2.gz XYYJUNAEKFMQAT-VXGBXAGGSA-N 1 0 302.378 3.357 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000236976363 432773028 /nfs/dbraw/zinc/77/30/28/432773028.db2.gz TVEWPXGZNFERMF-CVEARBPZSA-N 1 0 304.390 3.422 20 5 DGBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189351335 432780857 /nfs/dbraw/zinc/78/08/57/432780857.db2.gz BHDMJTMMWGTACL-HZPDHXFCSA-N 1 0 316.357 3.104 20 5 DGBDRO Cc1c([C@@H](C)NCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000178410204 432731836 /nfs/dbraw/zinc/73/18/36/432731836.db2.gz YKNVBGCWCBEWQY-OAHLLOKOSA-N 1 0 305.422 3.430 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H]1C ZINC000245444578 432832584 /nfs/dbraw/zinc/83/25/84/432832584.db2.gz JTWGGZOIRVTREN-GHMZBOCLSA-N 1 0 302.334 3.190 20 5 DGBDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000266818297 432789291 /nfs/dbraw/zinc/78/92/91/432789291.db2.gz YHRPMPQGZVTVEB-XHDPSFHLSA-N 1 0 306.387 3.215 20 5 DGBDRO CCOC(CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)OCC ZINC000276456467 432809490 /nfs/dbraw/zinc/80/94/90/432809490.db2.gz BMRALHRQECRTTO-OAHLLOKOSA-N 1 0 310.394 3.425 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC000245935597 432871131 /nfs/dbraw/zinc/87/11/31/432871131.db2.gz TXKSXGMOZVQGGA-XIRDDKMYSA-N 1 0 318.417 3.465 20 5 DGBDRO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000162968808 432839893 /nfs/dbraw/zinc/83/98/93/432839893.db2.gz GVTASPMOUOPZFU-GMOJCLEJSA-N 1 0 324.446 3.325 20 5 DGBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000245543379 432842196 /nfs/dbraw/zinc/84/21/96/432842196.db2.gz KPMUNWGJTOXUTL-SWLSCSKDSA-N 1 0 312.797 3.231 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000330650960 432922590 /nfs/dbraw/zinc/92/25/90/432922590.db2.gz JWOOTNOSQIPBAE-OLZOCXBDSA-N 1 0 305.378 3.105 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(O)(C(F)F)CC1 ZINC000331157661 432933763 /nfs/dbraw/zinc/93/37/63/432933763.db2.gz QCDRQVNPTJTBEU-LLVKDONJSA-N 1 0 314.332 3.056 20 5 DGBDRO CCN1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279097973 432934855 /nfs/dbraw/zinc/93/48/55/432934855.db2.gz OBOMYTSQEJUKJH-KRWDZBQOSA-N 1 0 317.433 3.391 20 5 DGBDRO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279193598 432944327 /nfs/dbraw/zinc/94/43/27/432944327.db2.gz WQEHQWJKPGYVMD-RLCCDNCMSA-N 1 0 304.390 3.332 20 5 DGBDRO C[C@H](CCCCO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296348813 432899359 /nfs/dbraw/zinc/89/93/59/432899359.db2.gz IEECMFUSQBEVLP-CZUORRHYSA-N 1 0 306.406 3.057 20 5 DGBDRO CCC[C@@]1(CO)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000288915296 432905521 /nfs/dbraw/zinc/90/55/21/432905521.db2.gz UNFXZYBLGQITIW-OAHLLOKOSA-N 1 0 312.797 3.233 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](COC)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000278914141 432916337 /nfs/dbraw/zinc/91/63/37/432916337.db2.gz VZTIGUIZXCBZEI-YESZJQIVSA-N 1 0 322.405 3.220 20 5 DGBDRO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000289467460 432966138 /nfs/dbraw/zinc/96/61/38/432966138.db2.gz GWAFZGMJKLROHJ-IUCAKERBSA-N 1 0 319.188 3.416 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C[N@@H+]1C1CC1 ZINC000297498695 432996990 /nfs/dbraw/zinc/99/69/90/432996990.db2.gz MYGUZHWLXXTTAQ-DGCLKSJQSA-N 1 0 312.373 3.180 20 5 DGBDRO C[NH+](C)C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000290241638 433017921 /nfs/dbraw/zinc/01/79/21/433017921.db2.gz ZORMYBXCMDIJQW-KRWDZBQOSA-N 1 0 317.364 3.126 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1[N+](=O)[O-] ZINC000290320269 433030861 /nfs/dbraw/zinc/03/08/61/433030861.db2.gz CXOZTVILDCBEJH-FHLIZLRMSA-N 1 0 310.353 3.031 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000156372010 292728829 /nfs/dbraw/zinc/72/88/29/292728829.db2.gz ADTHBSUWNOJTSX-OAHLLOKOSA-N 1 0 316.405 3.457 20 5 DGBDRO Cc1csc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000453309371 433079199 /nfs/dbraw/zinc/07/91/99/433079199.db2.gz DUIOPCZXUQFHLJ-KBPBESRZSA-N 1 0 320.418 3.435 20 5 DGBDRO CC(C)c1ccc(CN2C[C@H](C)[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354436939 433079039 /nfs/dbraw/zinc/07/90/39/433079039.db2.gz DKVBWWXGVBSZII-KBPBESRZSA-N 1 0 305.422 3.243 20 5 DGBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000280579841 433092489 /nfs/dbraw/zinc/09/24/89/433092489.db2.gz WOWIBDCKYGTZMQ-YKNXIFKJSA-N 1 0 304.390 3.233 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000453400755 433154726 /nfs/dbraw/zinc/15/47/26/433154726.db2.gz CYEFYIGEMLNQGU-DAXOMENPSA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@H]([NH2+]CC[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000298487538 433151410 /nfs/dbraw/zinc/15/14/10/433151410.db2.gz UADWELWXUFFKJV-GUYCJALGSA-N 1 0 300.358 3.369 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)[C@@H](O)CC)cc1[N+](=O)[O-] ZINC000453339023 433102528 /nfs/dbraw/zinc/10/25/28/433102528.db2.gz BIWJVTMDYKRIRB-LNSITVRQSA-N 1 0 310.394 3.194 20 5 DGBDRO CCC(C)(C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298392191 433119337 /nfs/dbraw/zinc/11/93/37/433119337.db2.gz GYAHQGKWYXVEEI-UHFFFAOYSA-N 1 0 323.393 3.052 20 5 DGBDRO CCC(=O)c1ccc(N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000280756132 433162388 /nfs/dbraw/zinc/16/23/88/433162388.db2.gz QEOJVEBMMHBTAW-UHFFFAOYSA-N 1 0 319.405 3.154 20 5 DGBDRO Cc1cc(N2CCC3(CCO3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000374487460 433203917 /nfs/dbraw/zinc/20/39/17/433203917.db2.gz HLJJIMXUGAWRJK-UHFFFAOYSA-N 1 0 313.357 3.211 20 5 DGBDRO Cc1c(-c2noc(C34CCC[NH+]3CCC4)n2)cccc1[N+](=O)[O-] ZINC000420498167 433206759 /nfs/dbraw/zinc/20/67/59/433206759.db2.gz FOTYAGAAOGEUKB-UHFFFAOYSA-N 1 0 314.345 3.038 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccsc2)n1 ZINC000447529822 433214195 /nfs/dbraw/zinc/21/41/95/433214195.db2.gz MUMGYRVJRBPSQL-CHWSQXEVSA-N 1 0 306.391 3.126 20 5 DGBDRO C[C@H]1[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000413249846 433268497 /nfs/dbraw/zinc/26/84/97/433268497.db2.gz UBBYIXJODSACBC-NHYWBVRUSA-N 1 0 300.362 3.038 20 5 DGBDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000453598257 433226990 /nfs/dbraw/zinc/22/69/90/433226990.db2.gz OIZWZSPNKYKRNZ-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000447560792 433227596 /nfs/dbraw/zinc/22/75/96/433227596.db2.gz ASBQAJOIBFRFLZ-AWEZNQCLSA-N 1 0 305.422 3.367 20 5 DGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447561538 433228196 /nfs/dbraw/zinc/22/81/96/433228196.db2.gz IJZBDKAUNXCDHK-QEORTHHSSA-N 1 0 306.406 3.359 20 5 DGBDRO Cc1nc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(C)o1 ZINC000447579175 433234333 /nfs/dbraw/zinc/23/43/33/433234333.db2.gz JKMAOUOQGOUNGL-KRWDZBQOSA-N 1 0 315.373 3.409 20 5 DGBDRO CC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447585855 433235482 /nfs/dbraw/zinc/23/54/82/433235482.db2.gz KKDHMPPMOULJCY-ZIAGYGMSSA-N 1 0 306.410 3.445 20 5 DGBDRO O=[N+]([O-])c1ccc(NCCNc2ccccn2)c2cccnc21 ZINC000354774233 433265321 /nfs/dbraw/zinc/26/53/21/433265321.db2.gz UPCUFODUSMQWSX-UHFFFAOYSA-N 1 0 309.329 3.062 20 5 DGBDRO C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000338783924 433324350 /nfs/dbraw/zinc/32/43/50/433324350.db2.gz IHQHSIMZDBFFIC-UWVGGRQHSA-N 1 0 317.311 3.142 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000350750701 433274268 /nfs/dbraw/zinc/27/42/68/433274268.db2.gz XESLUSIVOFCTIH-CQSZACIVSA-N 1 0 321.396 3.184 20 5 DGBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000425523397 433284137 /nfs/dbraw/zinc/28/41/37/433284137.db2.gz OZIFLLPXUYINBZ-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1=CCCOC1 ZINC000291616690 433289061 /nfs/dbraw/zinc/28/90/61/433289061.db2.gz RKQXFLGCLDQZQU-UHFFFAOYSA-N 1 0 317.172 3.338 20 5 DGBDRO CC1(C)C[C@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000425550496 433293533 /nfs/dbraw/zinc/29/35/33/433293533.db2.gz ZPUBDYWPAHZXDD-MRXNPFEDSA-N 1 0 314.389 3.265 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCCCO ZINC000291647721 433298202 /nfs/dbraw/zinc/29/82/02/433298202.db2.gz UHVMMPPBHKIIKS-UHFFFAOYSA-N 1 0 307.177 3.154 20 5 DGBDRO CC(C)[C@H]1[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000291887341 433381155 /nfs/dbraw/zinc/38/11/55/433381155.db2.gz JFCLXBDLMQPYPM-JKSUJKDBSA-N 1 0 304.390 3.139 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCSC1 ZINC000448374253 433404660 /nfs/dbraw/zinc/40/46/60/433404660.db2.gz KSVHIXZVBCLGAQ-INIZCTEOSA-N 1 0 324.446 3.247 20 5 DGBDRO COc1ccc(CNCc2cc(C)cc(Cl)n2)cc1[N+](=O)[O-] ZINC000281881373 433414375 /nfs/dbraw/zinc/41/43/75/433414375.db2.gz DGUCSEOQBILXQZ-UHFFFAOYSA-N 1 0 321.764 3.250 20 5 DGBDRO Cc1n[nH]cc1C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000375359172 433441238 /nfs/dbraw/zinc/44/12/38/433441238.db2.gz BOTNLAQOMSWJGB-UHFFFAOYSA-N 1 0 318.352 3.145 20 5 DGBDRO COCC[C@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414195878 433454247 /nfs/dbraw/zinc/45/42/47/433454247.db2.gz JLSOPCAQECXOFI-BBRMVZONSA-N 1 0 306.406 3.178 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301228448 433460231 /nfs/dbraw/zinc/46/02/31/433460231.db2.gz DCSMHCJSYXLFMU-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000467858211 290032324 /nfs/dbraw/zinc/03/23/24/290032324.db2.gz GTCPBHALIHQPFF-KSZJFAHPSA-N 1 0 304.390 3.449 20 5 DGBDRO C[N@@H+]1CC[C@H](CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000342094387 433465580 /nfs/dbraw/zinc/46/55/80/433465580.db2.gz XYFASUGAVPYVSC-MRVPVSSYSA-N 1 0 304.177 3.265 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CS1 ZINC000414227042 433470184 /nfs/dbraw/zinc/47/01/84/433470184.db2.gz KIFSESSCXHHVIR-BYCMXARLSA-N 1 0 306.431 3.400 20 5 DGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301744513 290182335 /nfs/dbraw/zinc/18/23/35/290182335.db2.gz ZXXCXQSEVJHVTB-BXUZGUMPSA-N 1 0 309.797 3.169 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1C ZINC000282040947 433475709 /nfs/dbraw/zinc/47/57/09/433475709.db2.gz LNGXNESKFUBKLJ-FZMZJTMJSA-N 1 0 305.378 3.010 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000301278778 433483778 /nfs/dbraw/zinc/48/37/78/433483778.db2.gz JJELBBBGCLTLMP-HNNXBMFYSA-N 1 0 312.373 3.066 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000414290561 433517894 /nfs/dbraw/zinc/51/78/94/433517894.db2.gz JIWWIMLRJURVET-RVSPLBMKSA-N 1 0 324.421 3.440 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]4CCC[C@H]43)n2)cc1 ZINC000426461432 433502693 /nfs/dbraw/zinc/50/26/93/433502693.db2.gz PDYKENBEFMLKNV-BXUZGUMPSA-N 1 0 314.345 3.019 20 5 DGBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000292213943 433507108 /nfs/dbraw/zinc/50/71/08/433507108.db2.gz ZDLUKKRREYQUQD-SNVBAGLBSA-N 1 0 321.402 3.057 20 5 DGBDRO Cc1cc(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301437141 433554428 /nfs/dbraw/zinc/55/44/28/433554428.db2.gz MVSNBCMMEWDDSR-OKILXGFUSA-N 1 0 320.437 3.468 20 5 DGBDRO Cc1cc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301450655 433561631 /nfs/dbraw/zinc/56/16/31/433561631.db2.gz TZVCCSOQYRORBT-LBPRGKRZSA-N 1 0 306.410 3.221 20 5 DGBDRO C[C@@H](NCc1nc2cccnc2s1)c1ccccc1[N+](=O)[O-] ZINC000342287997 433588366 /nfs/dbraw/zinc/58/83/66/433588366.db2.gz XZEBGTHAQUFGAG-SNVBAGLBSA-N 1 0 314.370 3.450 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c(F)c1 ZINC000301419945 433545984 /nfs/dbraw/zinc/54/59/84/433545984.db2.gz CISPDUIYKKFKEL-ZDUSSCGKSA-N 1 0 307.369 3.410 20 5 DGBDRO CCC(CC)[C@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000162175405 292848559 /nfs/dbraw/zinc/84/85/59/292848559.db2.gz VDSLQIDXLSUYAF-SJLPKXTDSA-N 1 0 320.433 3.303 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163789041 292871332 /nfs/dbraw/zinc/87/13/32/292871332.db2.gz ILTMNOHJMWAXJA-QANKJYHBSA-N 1 0 320.433 3.303 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000163880653 292872591 /nfs/dbraw/zinc/87/25/91/292872591.db2.gz KLYZKHSUWVJDEC-GRDNDAEWSA-N 1 0 308.422 3.303 20 5 DGBDRO Cc1cnc(NCC2CC[NH+](CCC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000301542081 433602163 /nfs/dbraw/zinc/60/21/63/433602163.db2.gz NUFJVBCCMWVARZ-UHFFFAOYSA-N 1 0 320.437 3.468 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000414485406 433648338 /nfs/dbraw/zinc/64/83/38/433648338.db2.gz LHERCCXUAIXWMI-QXAZJNSLSA-N 1 0 324.380 3.416 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301570548 433618762 /nfs/dbraw/zinc/61/87/62/433618762.db2.gz XXFXUQBVEZUXRU-OAHLLOKOSA-N 1 0 314.389 3.429 20 5 DGBDRO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414491059 433661022 /nfs/dbraw/zinc/66/10/22/433661022.db2.gz WPAJSZKRBUZXBH-FUHWJXTLSA-N 1 0 312.369 3.211 20 5 DGBDRO CCOc1cc(N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000356780294 433692182 /nfs/dbraw/zinc/69/21/82/433692182.db2.gz ALVRDGYOPOWAIN-HIFRSBDPSA-N 1 0 321.421 3.303 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301748825 433707585 /nfs/dbraw/zinc/70/75/85/433707585.db2.gz SPBHTQMSGCAZET-GHMZBOCLSA-N 1 0 312.801 3.176 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCC3(CCCO3)CC2)cc1 ZINC000373763821 293313880 /nfs/dbraw/zinc/31/38/80/293313880.db2.gz WPWYGTPJTBGBQY-UHFFFAOYSA-N 1 0 304.390 3.219 20 5 DGBDRO COc1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000374008595 293341479 /nfs/dbraw/zinc/34/14/79/293341479.db2.gz RBQCUINTKLTPHB-CYBMUJFWSA-N 1 0 302.330 3.186 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)ccc1Cl ZINC000374386826 293392636 /nfs/dbraw/zinc/39/26/36/293392636.db2.gz ADLSLJHZOGJAMD-QWHCGFSZSA-N 1 0 310.781 3.107 20 5 DGBDRO CC[NH+]1CCC(CCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301778216 433719692 /nfs/dbraw/zinc/71/96/92/433719692.db2.gz IFAPNUIYEXRASO-UHFFFAOYSA-N 1 0 313.348 3.407 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339683110 433729031 /nfs/dbraw/zinc/72/90/31/433729031.db2.gz MKGQNTDABCFHQK-JSGCOSHPSA-N 1 0 317.389 3.044 20 5 DGBDRO CC(C)[C@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449172453 433729337 /nfs/dbraw/zinc/72/93/37/433729337.db2.gz MFJHLWCLAAYOAI-UKPHBRMFSA-N 1 0 306.406 3.177 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000301812052 433737062 /nfs/dbraw/zinc/73/70/62/433737062.db2.gz FALMHAZDSSCILF-CYBMUJFWSA-N 1 0 317.311 3.366 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000283542661 433744896 /nfs/dbraw/zinc/74/48/96/433744896.db2.gz LXIKIGBXBBIHSG-INIZCTEOSA-N 1 0 318.352 3.031 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)C2(OC)CCCCC2)cc1[N+](=O)[O-] ZINC000421826604 433750658 /nfs/dbraw/zinc/75/06/58/433750658.db2.gz TYSCEGGLJIHZCK-CYBMUJFWSA-N 1 0 322.405 3.431 20 5 DGBDRO C[C@H]1COCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000376495860 433755674 /nfs/dbraw/zinc/75/56/74/433755674.db2.gz RRDXCLUBLGETKM-CYBMUJFWSA-N 1 0 316.357 3.323 20 5 DGBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000293503230 433761001 /nfs/dbraw/zinc/76/10/01/433761001.db2.gz UPKFFBUWEVHGBO-RYUDHWBXSA-N 1 0 301.346 3.133 20 5 DGBDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375384613 293520615 /nfs/dbraw/zinc/52/06/15/293520615.db2.gz PFHIUAUDGZZGSC-UHFFFAOYSA-N 1 0 300.362 3.006 20 5 DGBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000283853126 433789025 /nfs/dbraw/zinc/78/90/25/433789025.db2.gz BGVAKDQLWLQESG-PXAZEXFGSA-N 1 0 315.373 3.215 20 5 DGBDRO COCCC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCCC1 ZINC000283912776 433795726 /nfs/dbraw/zinc/79/57/26/433795726.db2.gz DIKVILCGCXLNQU-ZDUSSCGKSA-N 1 0 321.421 3.425 20 5 DGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCOC(C)(C)C1 ZINC000351935325 433802769 /nfs/dbraw/zinc/80/27/69/433802769.db2.gz JGBJIKDTWRVVMF-OAHLLOKOSA-N 1 0 322.405 3.383 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)C1CCC1 ZINC000357025562 433828242 /nfs/dbraw/zinc/82/82/42/433828242.db2.gz ANFGTZDUTDSMFP-CYBMUJFWSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)[C@](C)(O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433125514 433840872 /nfs/dbraw/zinc/84/08/72/433840872.db2.gz KTUVOINRBQJLNR-DOTOQJQBSA-N 1 0 306.406 3.314 20 5 DGBDRO COc1ccc(CNc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414817044 433859886 /nfs/dbraw/zinc/85/98/86/433859886.db2.gz YVXJSEUHMVVAMH-LLVKDONJSA-N 1 0 301.346 3.235 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccccc1Cl ZINC000339951426 433870328 /nfs/dbraw/zinc/87/03/28/433870328.db2.gz VDVGZVXAGQYBIT-CQSZACIVSA-N 1 0 320.780 3.358 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3C3CC3)o2)cc1 ZINC000377533365 433906276 /nfs/dbraw/zinc/90/62/76/433906276.db2.gz IIFPSCKNEXXESC-AWEZNQCLSA-N 1 0 314.345 3.019 20 5 DGBDRO COc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293884857 433908778 /nfs/dbraw/zinc/90/87/78/433908778.db2.gz VOELQXMGOSGOAL-LLVKDONJSA-N 1 0 301.346 3.036 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](O)CC2)o1 ZINC000293923951 433927792 /nfs/dbraw/zinc/92/77/92/433927792.db2.gz GXDRWPGMCZPOKA-CYBMUJFWSA-N 1 0 316.357 3.202 20 5 DGBDRO C[C@H]1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]1 ZINC000414957600 433934018 /nfs/dbraw/zinc/93/40/18/433934018.db2.gz WCMJIUYWBQPMDO-STQMWFEESA-N 1 0 315.373 3.085 20 5 DGBDRO CC(C)C[C@H](C[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414851896 433880996 /nfs/dbraw/zinc/88/09/96/433880996.db2.gz QAPUEKJYZCHDFO-CQSZACIVSA-N 1 0 317.389 3.318 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCC[NH2+]C3)s2)cc1 ZINC000414869543 433895053 /nfs/dbraw/zinc/89/50/53/433895053.db2.gz RDEDUYZMHDRGFP-ZDUSSCGKSA-N 1 0 317.414 3.165 20 5 DGBDRO Cc1ccnc(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000303677460 433958659 /nfs/dbraw/zinc/95/86/59/433958659.db2.gz JFSFUVVSNBTREO-OAHLLOKOSA-N 1 0 320.437 3.467 20 5 DGBDRO C[C@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000436412493 433963110 /nfs/dbraw/zinc/96/31/10/433963110.db2.gz RKOLHDXGFLHECJ-WFASDCNBSA-N 1 0 314.389 3.274 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000352310018 434037834 /nfs/dbraw/zinc/03/78/34/434037834.db2.gz FMNVEPQGVNWLAL-GUTXKFCHSA-N 1 0 323.462 3.494 20 5 DGBDRO C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000450226512 434038063 /nfs/dbraw/zinc/03/80/63/434038063.db2.gz LHVRDUOVGHXWNT-RDTXWAMCSA-N 1 0 314.385 3.191 20 5 DGBDRO C[C@@H]1C[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]1 ZINC000414956169 293894079 /nfs/dbraw/zinc/89/40/79/293894079.db2.gz UZAHKCVTSRQRSD-OCCSQVGLSA-N 1 0 315.373 3.085 20 5 DGBDRO Cc1noc(C)c1C(C)(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000285806812 434071837 /nfs/dbraw/zinc/07/18/37/434071837.db2.gz VPWSEWHTDJLARP-UHFFFAOYSA-N 1 0 319.361 3.103 20 5 DGBDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423203724 293915334 /nfs/dbraw/zinc/91/53/34/293915334.db2.gz NBWLGPXSKNRYGX-NWDGAFQWSA-N 1 0 317.414 3.336 20 5 DGBDRO C[C@H](CCO)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305861462 434084346 /nfs/dbraw/zinc/08/43/46/434084346.db2.gz YCHKVYQNDKOPBU-KDOFPFPSSA-N 1 0 314.385 3.292 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000450253998 434056722 /nfs/dbraw/zinc/05/67/22/434056722.db2.gz RMDUSONUUKVQGO-CHWSQXEVSA-N 1 0 312.373 3.182 20 5 DGBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000500092944 294103472 /nfs/dbraw/zinc/10/34/72/294103472.db2.gz XCNBEWZJGNKGJB-DZGCQCFKSA-N 1 0 321.421 3.247 20 5 DGBDRO CC[C@H]1C[C@]1([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C)c1 ZINC000502483471 294166948 /nfs/dbraw/zinc/16/69/48/294166948.db2.gz ITVYKJKHGYNDAK-WMLDXEAASA-N 1 0 314.389 3.015 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503039480 294183750 /nfs/dbraw/zinc/18/37/50/294183750.db2.gz YWAYDWWRMZBWED-PBHICJAKSA-N 1 0 312.369 3.497 20 5 DGBDRO CC(C)c1ccc(C[N@H+](CCO)C2CCCC2)cc1[N+](=O)[O-] ZINC000505282647 294232909 /nfs/dbraw/zinc/23/29/09/294232909.db2.gz CJOJWAYAWWVRTK-UHFFFAOYSA-N 1 0 306.406 3.455 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000507115303 294282539 /nfs/dbraw/zinc/28/25/39/294282539.db2.gz GIBDZXLTGFDADN-CYBMUJFWSA-N 1 0 308.378 3.232 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CCCC1 ZINC000511009008 294398587 /nfs/dbraw/zinc/39/85/87/294398587.db2.gz BIVFBTLBGXLMCI-YOEHRIQHSA-N 1 0 320.433 3.447 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC3(CC3)CC2)cccc1[N+](=O)[O-] ZINC000378326645 434141808 /nfs/dbraw/zinc/14/18/08/434141808.db2.gz OIYYWBYOEKYHAQ-CYBMUJFWSA-N 1 0 317.389 3.106 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000512891676 294456036 /nfs/dbraw/zinc/45/60/36/294456036.db2.gz QLTKEJGXIZBECG-KVGPOCCESA-N 1 0 304.390 3.260 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccncc21 ZINC000363942316 434192445 /nfs/dbraw/zinc/19/24/45/434192445.db2.gz BFVAQEHGGWAAKP-QWHCGFSZSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccncc21 ZINC000363942315 434194111 /nfs/dbraw/zinc/19/41/11/434194111.db2.gz BFVAQEHGGWAAKP-OLZOCXBDSA-N 1 0 312.373 3.182 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000317097260 434196120 /nfs/dbraw/zinc/19/61/20/434196120.db2.gz BFCDDLVOWUJPTK-DGCLKSJQSA-N 1 0 300.362 3.038 20 5 DGBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ccc([N+](=O)[O-])nc3)cccc21 ZINC000450487969 434219303 /nfs/dbraw/zinc/21/93/03/434219303.db2.gz FNBGRJXTCIZBSN-CQSZACIVSA-N 1 0 314.345 3.119 20 5 DGBDRO C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000353591823 434256736 /nfs/dbraw/zinc/25/67/36/434256736.db2.gz YRQNUNKKXBOXFR-UHFFFAOYSA-N 1 0 303.387 3.108 20 5 DGBDRO CCC1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCC1 ZINC000295229548 434269722 /nfs/dbraw/zinc/26/97/22/434269722.db2.gz ODHSQLFWHLKCKH-UHFFFAOYSA-N 1 0 316.361 3.457 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450491544 434223093 /nfs/dbraw/zinc/22/30/93/434223093.db2.gz XIGKUIXOZUOYGF-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO CC(=O)c1cc(N(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000286303251 434226503 /nfs/dbraw/zinc/22/65/03/434226503.db2.gz YNBDSQZIPIGIGG-UHFFFAOYSA-N 1 0 319.405 3.106 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000320387995 434235866 /nfs/dbraw/zinc/23/58/66/434235866.db2.gz SIFUXPMMIQMFMK-CYBMUJFWSA-N 1 0 314.389 3.285 20 5 DGBDRO Cc1cc(NC[C@@H]2CCCSC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000384121030 434292388 /nfs/dbraw/zinc/29/23/88/434292388.db2.gz JBQILSYMEXZPJF-LBPRGKRZSA-N 1 0 317.414 3.428 20 5 DGBDRO CCOc1ccc([C@H](C)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000423258960 434320419 /nfs/dbraw/zinc/32/04/19/434320419.db2.gz CRRSSGOTKXWWLT-GXTWGEPZSA-N 1 0 309.410 3.018 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCOC1)CCCC2 ZINC000417341676 434363636 /nfs/dbraw/zinc/36/36/36/434363636.db2.gz ODVZZBATXKLBIU-DYVFJYSZSA-N 1 0 304.390 3.379 20 5 DGBDRO O=[N+]([O-])c1cccc2c(NC[C@H]3CC[N@@H+](C4CC4)C3)ccnc21 ZINC000391238672 434379316 /nfs/dbraw/zinc/37/93/16/434379316.db2.gz XUCUQUBFDWQDPZ-GFCCVEGCSA-N 1 0 312.373 3.039 20 5 DGBDRO CC(C)c1ccc(CN2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000353686860 434341683 /nfs/dbraw/zinc/34/16/83/434341683.db2.gz YHXKZBCBUOVVHF-UHFFFAOYSA-N 1 0 305.422 3.244 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCn1cccn1)CCCC2 ZINC000417302345 434350494 /nfs/dbraw/zinc/35/04/94/434350494.db2.gz BBUIUGKJKLMFPW-KRWDZBQOSA-N 1 0 314.389 3.239 20 5 DGBDRO C[C@H]([NH2+]CC[S@](=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000358153311 434352472 /nfs/dbraw/zinc/35/24/72/434352472.db2.gz IEAKQHPMORCOTJ-XMHCIUCPSA-N 1 0 318.398 3.053 20 5 DGBDRO CC(C)[C@@H](CO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417326483 434354682 /nfs/dbraw/zinc/35/46/82/434354682.db2.gz GJMTYPBHEMPRSL-RHSMWYFYSA-N 1 0 306.406 3.216 20 5 DGBDRO Cc1cc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n(C)n1 ZINC000417338561 434359445 /nfs/dbraw/zinc/35/94/45/434359445.db2.gz ZCMSHIJLQNTULC-KRWDZBQOSA-N 1 0 314.389 3.194 20 5 DGBDRO CO[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000450766983 434395708 /nfs/dbraw/zinc/39/57/08/434395708.db2.gz TZZWQVMXALLQNM-GTNSWQLSSA-N 1 0 315.373 3.313 20 5 DGBDRO C[N@@H+]1CC[C@@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450778689 434403225 /nfs/dbraw/zinc/40/32/25/434403225.db2.gz MBAZHKWOZXDUQG-PELKAZGASA-N 1 0 316.188 3.042 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(F)cn1 ZINC000287620832 434411710 /nfs/dbraw/zinc/41/17/10/434411710.db2.gz JUGKMLOQNNYYME-NSHDSACASA-N 1 0 319.336 3.031 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000395141238 434415363 /nfs/dbraw/zinc/41/53/63/434415363.db2.gz HRXWTOPALCRMDV-CJNGLKHVSA-N 1 0 306.406 3.495 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423427196 434420106 /nfs/dbraw/zinc/42/01/06/434420106.db2.gz NMWUAQKYNAMBGY-SCLBCKFNSA-N 1 0 311.385 3.132 20 5 DGBDRO CCc1ccc([C@H](NC[C@@H]([NH3+])CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423461108 434431436 /nfs/dbraw/zinc/43/14/36/434431436.db2.gz JKRKRQXLHHJDHR-SUMWQHHRSA-N 1 0 317.389 3.167 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450852938 434442287 /nfs/dbraw/zinc/44/22/87/434442287.db2.gz ANIKWHXBXHECHS-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO CCOc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000295969069 434459311 /nfs/dbraw/zinc/45/93/11/434459311.db2.gz KBXDIZBVTUDVII-YHWZYXNKSA-N 1 0 305.378 3.031 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000438336195 434459518 /nfs/dbraw/zinc/45/95/18/434459518.db2.gz TXMXQZCRNHMBBL-INIZCTEOSA-N 1 0 306.406 3.311 20 5 DGBDRO CC(=O)c1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000287866812 434467862 /nfs/dbraw/zinc/46/78/62/434467862.db2.gz SWVYFXJTCXRUQV-OAHLLOKOSA-N 1 0 317.389 3.226 20 5 DGBDRO Cn1ncc2ccc(C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])cc21 ZINC000521135146 294858931 /nfs/dbraw/zinc/85/89/31/294858931.db2.gz RYNDKSKLJZJFEC-GQCTYLIASA-N 1 0 322.368 3.285 20 5 DGBDRO Cc1cc(N2CC[C@H](CCCO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450960467 434505103 /nfs/dbraw/zinc/50/51/03/434505103.db2.gz MPZGTRRYPQGJHS-ZDUSSCGKSA-N 1 0 315.373 3.050 20 5 DGBDRO CCC1(CC)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438481983 434488387 /nfs/dbraw/zinc/48/83/87/434488387.db2.gz JXERXMYUVZLUGJ-UHFFFAOYSA-N 1 0 319.405 3.436 20 5 DGBDRO CCC1(CC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438485698 434488993 /nfs/dbraw/zinc/48/89/93/434488993.db2.gz WGKWYMVSXHMTNX-ZDUSSCGKSA-N 1 0 319.405 3.434 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000353925519 434527323 /nfs/dbraw/zinc/52/73/23/434527323.db2.gz YSEPYQKJXNRDMP-GFCCVEGCSA-N 1 0 322.409 3.009 20 5 DGBDRO CCOC(=O)C1(C)CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000353947523 434540609 /nfs/dbraw/zinc/54/06/09/434540609.db2.gz YVYXIVKLTVVAJH-UHFFFAOYSA-N 1 0 320.389 3.196 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000348882632 434540981 /nfs/dbraw/zinc/54/09/81/434540981.db2.gz ZBRPSQZOKPERTA-OGOUPESXSA-N 1 0 312.316 3.169 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000408086286 434541177 /nfs/dbraw/zinc/54/11/77/434541177.db2.gz HSSWDHDBHMRQCH-ZNMIVQPWSA-N 1 0 318.421 3.140 20 5 DGBDRO C[NH+](C)CCN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000348931297 434558756 /nfs/dbraw/zinc/55/87/56/434558756.db2.gz ALNZGINQSPDHDQ-UHFFFAOYSA-N 1 0 319.430 3.220 20 5 DGBDRO COC(=O)C(C)(C)CC[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000527233937 295085634 /nfs/dbraw/zinc/08/56/34/295085634.db2.gz GWYKXPIBRAIIID-UHFFFAOYSA-N 1 0 308.378 3.009 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000360340310 434581711 /nfs/dbraw/zinc/58/17/11/434581711.db2.gz YHFVMLCMWWUZPU-IOASZLSFSA-N 1 0 319.405 3.338 20 5 DGBDRO Cc1cccc2oc(CC[NH2+]Cc3ccccc3[N+](=O)[O-])nc21 ZINC000410350348 434640623 /nfs/dbraw/zinc/64/06/23/434640623.db2.gz DIJQCYWUUGDABW-UHFFFAOYSA-N 1 0 311.341 3.377 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459753754 434699719 /nfs/dbraw/zinc/69/97/19/434699719.db2.gz NUGCJRFDJGMLNI-QWHCGFSZSA-N 1 0 302.378 3.000 20 5 DGBDRO CC[C@@H](C[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000360719991 434675434 /nfs/dbraw/zinc/67/54/34/434675434.db2.gz GJAAJNQKJMDCNB-AWEZNQCLSA-N 1 0 316.405 3.344 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000349350881 434685533 /nfs/dbraw/zinc/68/55/33/434685533.db2.gz PMJHCONZVCHQML-BLLLJJGKSA-N 1 0 316.357 3.058 20 5 DGBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC(C)(C)C1 ZINC000459738885 434688834 /nfs/dbraw/zinc/68/88/34/434688834.db2.gz JUYNBELGAKOSJU-UHFFFAOYSA-N 1 0 316.361 3.265 20 5 DGBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000460353298 434754346 /nfs/dbraw/zinc/75/43/46/434754346.db2.gz GDRWTEVUJJJMMK-KBPBESRZSA-N 1 0 319.405 3.482 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459766822 434704820 /nfs/dbraw/zinc/70/48/20/434704820.db2.gz PVFHVIIJBADSHO-AVRGHOLYSA-N 1 0 317.389 3.090 20 5 DGBDRO CCCN(CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349407535 434705366 /nfs/dbraw/zinc/70/53/66/434705366.db2.gz OBITWUNOWRDWPE-UHFFFAOYSA-N 1 0 313.829 3.412 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459775627 434714075 /nfs/dbraw/zinc/71/40/75/434714075.db2.gz VDZSTJNMPNVGFY-VZAMPYOESA-N 1 0 317.389 3.090 20 5 DGBDRO C[C@H]1CC2(C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424378455 434715326 /nfs/dbraw/zinc/71/53/26/434715326.db2.gz NELBVDQFWQWUDS-VOKGJARPSA-N 1 0 315.417 3.072 20 5 DGBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000460353303 434754921 /nfs/dbraw/zinc/75/49/21/434754921.db2.gz GDRWTEVUJJJMMK-ZIAGYGMSSA-N 1 0 319.405 3.482 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000459807635 434728666 /nfs/dbraw/zinc/72/86/66/434728666.db2.gz RGZWXIQTYHCXOM-TZMCWYRMSA-N 1 0 319.405 3.480 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000360961842 434743450 /nfs/dbraw/zinc/74/34/50/434743450.db2.gz VLWFIFQYJDAJBU-CYBMUJFWSA-N 1 0 323.441 3.044 20 5 DGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000419314274 434769864 /nfs/dbraw/zinc/76/98/64/434769864.db2.gz MKRGILRLPOJUAG-QWHCGFSZSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000371878837 434765040 /nfs/dbraw/zinc/76/50/40/434765040.db2.gz WTMPDJOXUSLKCI-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000443504667 434778047 /nfs/dbraw/zinc/77/80/47/434778047.db2.gz YQZYBNAZEUDDTE-CHWSQXEVSA-N 1 0 321.421 3.301 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411445366 434781380 /nfs/dbraw/zinc/78/13/80/434781380.db2.gz OSXCWWMAXMPNIA-JSGCOSHPSA-N 1 0 305.378 3.186 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000453149024 434817187 /nfs/dbraw/zinc/81/71/87/434817187.db2.gz KHCHVVCSXSMCHH-CJNGLKHVSA-N 1 0 314.389 3.410 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411844702 434835115 /nfs/dbraw/zinc/83/51/15/434835115.db2.gz CXIYAAZWLGSJEU-CYBMUJFWSA-N 1 0 314.389 3.146 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000361239745 434838767 /nfs/dbraw/zinc/83/87/67/434838767.db2.gz XQSMNHJVKXUTNE-SHRNQRGKSA-N 1 0 312.373 3.142 20 5 DGBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000411893437 434841996 /nfs/dbraw/zinc/84/19/96/434841996.db2.gz ORCHUKJLDQEPTM-AEFFLSMTSA-N 1 0 312.369 3.305 20 5 DGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1occc1C ZINC000412023300 434854288 /nfs/dbraw/zinc/85/42/88/434854288.db2.gz BVHVSODMDKSGSD-UHFFFAOYSA-N 1 0 304.346 3.397 20 5 DGBDRO CN(CCC[NH+](C)C)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000553182783 434882032 /nfs/dbraw/zinc/88/20/32/434882032.db2.gz WGWMWQKQGPOYRN-UHFFFAOYSA-N 1 0 306.193 3.290 20 5 DGBDRO Cc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461970011 434895543 /nfs/dbraw/zinc/89/55/43/434895543.db2.gz VKPNMROPGLPVFH-AWEZNQCLSA-N 1 0 321.396 3.497 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(CCO)CCCC1 ZINC000574052746 434947438 /nfs/dbraw/zinc/94/74/38/434947438.db2.gz ACYHNQNWNUCLAQ-HNNXBMFYSA-N 1 0 304.390 3.115 20 5 DGBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000464740276 434995522 /nfs/dbraw/zinc/99/55/22/434995522.db2.gz QATHSECNPFJSMA-DZGCQCFKSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@]1(C)CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000464779750 434999284 /nfs/dbraw/zinc/99/92/84/434999284.db2.gz PQVGSYGYVPTPCN-QGZVFWFLSA-N 1 0 322.405 3.494 20 5 DGBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000525126276 435005748 /nfs/dbraw/zinc/00/57/48/435005748.db2.gz SDICJTIFTOVIIE-CQSZACIVSA-N 1 0 312.369 3.420 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000530925965 435061466 /nfs/dbraw/zinc/06/14/66/435061466.db2.gz OGLWNUZZLRQHQX-UHFFFAOYSA-N 1 0 303.406 3.045 20 5 DGBDRO CCC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000466471716 435077928 /nfs/dbraw/zinc/07/79/28/435077928.db2.gz FTGHCKHSMOAZHY-AWEZNQCLSA-N 1 0 319.405 3.436 20 5 DGBDRO CN(C)c1ccccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578337628 435078147 /nfs/dbraw/zinc/07/81/47/435078147.db2.gz MINMHAXJQQVEMM-INIZCTEOSA-N 1 0 311.385 3.438 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1COc2ccc(F)cc21 ZINC000466471002 435078946 /nfs/dbraw/zinc/07/89/46/435078946.db2.gz BITSMOUZDDVGKJ-QTLSWZBMSA-N 1 0 314.316 3.470 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000556966756 435041246 /nfs/dbraw/zinc/04/12/46/435041246.db2.gz CLBPQXBGAQRVMA-IPJDOKCGSA-N 1 0 304.390 3.093 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](O)CC1 ZINC000557272405 435049239 /nfs/dbraw/zinc/04/92/39/435049239.db2.gz KSDROSOQLFJUIU-IHRRRGAJSA-N 1 0 324.446 3.359 20 5 DGBDRO CN(Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(C(C)(C)C)cc1 ZINC000530865802 435056157 /nfs/dbraw/zinc/05/61/57/435056157.db2.gz BQHTUXURZQGBPJ-UHFFFAOYSA-N 1 0 316.405 3.258 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000578653159 435099569 /nfs/dbraw/zinc/09/95/69/435099569.db2.gz PIWXXEOYMYJDSV-IQUZECRKSA-N 1 0 302.374 3.109 20 5 DGBDRO Cc1ccc2nc(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])cn2c1 ZINC000578786896 435108649 /nfs/dbraw/zinc/10/86/49/435108649.db2.gz XWKDGZIBQSKTAB-INIZCTEOSA-N 1 0 322.368 3.328 20 5 DGBDRO CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531714970 435112511 /nfs/dbraw/zinc/11/25/11/435112511.db2.gz IIRNEVBJPFWIBF-GDBMZVCRSA-N 1 0 305.422 3.428 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1(C)CC1 ZINC000475212632 435184908 /nfs/dbraw/zinc/18/49/08/435184908.db2.gz LHTPFHCXBPPQSB-LBPRGKRZSA-N 1 0 305.378 3.092 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000532721676 435190452 /nfs/dbraw/zinc/19/04/52/435190452.db2.gz VNCAWJZJWXISRH-UHFFFAOYSA-N 1 0 316.332 3.392 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCC[C@@H](C)C1 ZINC000532458802 435168000 /nfs/dbraw/zinc/16/80/00/435168000.db2.gz LRMHAZFBNIBATN-HIFRSBDPSA-N 1 0 305.422 3.286 20 5 DGBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000533526934 435242208 /nfs/dbraw/zinc/24/22/08/435242208.db2.gz VEFCSGPKYGUDFS-UHFFFAOYSA-N 1 0 324.352 3.090 20 5 DGBDRO CN(C)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000583851894 435249465 /nfs/dbraw/zinc/24/94/65/435249465.db2.gz PGIFDHZRDSDQSX-INIZCTEOSA-N 1 0 303.406 3.046 20 5 DGBDRO C[NH+]1CCC([C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000533710235 435255789 /nfs/dbraw/zinc/25/57/89/435255789.db2.gz PBSXIFYCYUBHGN-ZDUSSCGKSA-N 1 0 323.824 3.416 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000562107432 435253705 /nfs/dbraw/zinc/25/37/05/435253705.db2.gz SJLSFVXSTIONBJ-SOUVJXGZSA-N 1 0 306.406 3.353 20 5 DGBDRO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000535079638 435318050 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3.463 20 5 DGBDRO COC1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000483279349 435504993 /nfs/dbraw/zinc/50/49/93/435504993.db2.gz QYHKZRXNLWSQRP-UHFFFAOYSA-N 1 0 304.390 3.302 20 5 DGBDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482866023 435485221 /nfs/dbraw/zinc/48/52/21/435485221.db2.gz DTTBFNPZJRTJEE-GJZGRUSLSA-N 1 0 305.422 3.428 20 5 DGBDRO CCCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000569652101 435548295 /nfs/dbraw/zinc/54/82/95/435548295.db2.gz XZCHIVWUTQPWFG-ZDUSSCGKSA-N 1 0 307.394 3.352 20 5 DGBDRO CCOc1cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000569647985 435549518 /nfs/dbraw/zinc/54/95/18/435549518.db2.gz TYKKRGHQPVJPKS-TXEJJXNPSA-N 1 0 310.419 3.319 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CCCC[C@H]1O)C1CC1 ZINC000516774551 435551920 /nfs/dbraw/zinc/55/19/20/435551920.db2.gz VPGBGIGXWSXWKE-RHSMWYFYSA-N 1 0 304.390 3.110 20 5 DGBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000485129394 435560780 /nfs/dbraw/zinc/56/07/80/435560780.db2.gz QTALYWLNWDYLGH-QGZVFWFLSA-N 1 0 318.417 3.442 20 5 DGBDRO Cc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488749810 435642965 /nfs/dbraw/zinc/64/29/65/435642965.db2.gz JTNAJRZBBBNQQN-HACGYAERSA-N 1 0 303.406 3.070 20 5 DGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000570867565 435657711 /nfs/dbraw/zinc/65/77/11/435657711.db2.gz LJTIEMUMGVIBTK-JTQLQIEISA-N 1 0 317.336 3.337 20 5 DGBDRO CCn1cc(CN(C)Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000541070554 435637377 /nfs/dbraw/zinc/63/73/77/435637377.db2.gz JVVGPLZVMULWBQ-UHFFFAOYSA-N 1 0 308.769 3.097 20 5 DGBDRO CCOc1cccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000571218329 435688750 /nfs/dbraw/zinc/68/87/50/435688750.db2.gz NFXDHOHPHLUWMK-RYUDHWBXSA-N 1 0 305.378 3.031 20 5 DGBDRO C[N@H+](CCC(=O)c1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000549171462 435747199 /nfs/dbraw/zinc/74/71/99/435747199.db2.gz BYYHKNIMZLWNQD-UHFFFAOYSA-N 1 0 312.369 3.342 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H](C)OC ZINC000519861115 435714998 /nfs/dbraw/zinc/71/49/98/435714998.db2.gz UZLGQWYDJLRIHN-JHJVBQTASA-N 1 0 312.435 3.479 20 5 DGBDRO COc1ccc(OCC[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000571601052 435721138 /nfs/dbraw/zinc/72/11/38/435721138.db2.gz LALILRSAMATJDY-LAQFHYBYSA-N 1 0 322.405 3.397 20 5 DGBDRO C[C@H](CN1CCC(C)CC1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572900433 435879561 /nfs/dbraw/zinc/87/95/61/435879561.db2.gz DYNKCQLLENXMRC-RHSMWYFYSA-N 1 0 317.433 3.292 20 5 DGBDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000177322223 312780592 /nfs/dbraw/zinc/78/05/92/312780592.db2.gz PSRMBHYTRGEICN-QGZVFWFLSA-N 1 0 318.373 3.496 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)CCC2 ZINC000377078189 313013883 /nfs/dbraw/zinc/01/38/83/313013883.db2.gz NXWQSMJUUBCDRG-IXDOHACOSA-N 1 0 302.374 3.129 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000532196546 313526579 /nfs/dbraw/zinc/52/65/79/313526579.db2.gz YKFCIUQUWUFIAJ-WBMJQRKESA-N 1 0 314.389 3.365 20 5 DGBDRO CCc1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)on1 ZINC000532517506 313557140 /nfs/dbraw/zinc/55/71/40/313557140.db2.gz HFBIYDQEVQLLDY-MRXNPFEDSA-N 1 0 315.373 3.256 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000539048882 313896557 /nfs/dbraw/zinc/89/65/57/313896557.db2.gz WRSDLRJKGZMNNW-TZMCWYRMSA-N 1 0 319.405 3.480 20 5 DGBDRO C[C@@H]1C[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000539970327 313939984 /nfs/dbraw/zinc/93/99/84/313939984.db2.gz RRXNROQYDVVALD-CPUCHLNUSA-N 1 0 318.417 3.321 20 5 DGBDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000540599453 313968308 /nfs/dbraw/zinc/96/83/08/313968308.db2.gz DXEHGZRKEKZZOP-QGZVFWFLSA-N 1 0 318.373 3.496 20 5 DGBDRO CO[C@H]1CCC[C@@H]1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000541191012 313999349 /nfs/dbraw/zinc/99/93/49/313999349.db2.gz ZSINFXBNRZFJQO-PXAZEXFGSA-N 1 0 315.373 3.100 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(F)c(F)c2F)cc1 ZINC000541554695 314022845 /nfs/dbraw/zinc/02/28/45/314022845.db2.gz PPOMRXBZTKNPBZ-UHFFFAOYSA-N 1 0 310.275 3.344 20 5 DGBDRO CC[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000542137297 314057489 /nfs/dbraw/zinc/05/74/89/314057489.db2.gz FKVHUWAFBQBQBM-AWEZNQCLSA-N 1 0 315.373 3.457 20 5 DGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCc1ccccc1O ZINC000542318435 314069210 /nfs/dbraw/zinc/06/92/10/314069210.db2.gz SBLOFJKDYDQSLH-UHFFFAOYSA-N 1 0 300.358 3.017 20 5 DGBDRO Cc1cc(N[C@@H](C)Cc2ccncc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543050422 314111404 /nfs/dbraw/zinc/11/14/04/314111404.db2.gz DUPLLPHIMBCDBV-LBPRGKRZSA-N 1 0 322.368 3.311 20 5 DGBDRO CCOc1cccc(N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000547287070 314353672 /nfs/dbraw/zinc/35/36/72/314353672.db2.gz YVTONFVVKQOIAT-LBPRGKRZSA-N 1 0 309.410 3.382 20 5 DGBDRO Cc1cc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549108831 314494902 /nfs/dbraw/zinc/49/49/02/314494902.db2.gz OJILIBLNQCGQGB-UHFFFAOYSA-N 1 0 317.311 3.428 20 5 DGBDRO Cc1cc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549582209 314512744 /nfs/dbraw/zinc/51/27/44/314512744.db2.gz IKMNPVUKXUANDM-VIFPVBQESA-N 1 0 305.300 3.284 20 5 DGBDRO C[NH+](C)Cc1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000553422216 314643555 /nfs/dbraw/zinc/64/35/55/314643555.db2.gz YXRIAYLIXRRAKI-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO C[NH+](C)CCCC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000557617271 314812411 /nfs/dbraw/zinc/81/24/11/314812411.db2.gz HGLULGZHUJGEAZ-UHFFFAOYSA-N 1 0 309.385 3.292 20 5 DGBDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000559817032 314892022 /nfs/dbraw/zinc/89/20/22/314892022.db2.gz OHUOKFYKSFSFHS-CZUORRHYSA-N 1 0 302.330 3.122 20 5 DGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000563750926 315135308 /nfs/dbraw/zinc/13/53/08/315135308.db2.gz PAMIVZFSKTYZGN-CYBMUJFWSA-N 1 0 319.405 3.482 20 5 DGBDRO CC(C)C[C@@H](CCO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217776 315243069 /nfs/dbraw/zinc/24/30/69/315243069.db2.gz MYKQCROJFPDGQX-CJNGLKHVSA-N 1 0 306.406 3.216 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC000565988845 315302787 /nfs/dbraw/zinc/30/27/87/315302787.db2.gz GKOTTZZSHODCCE-RHSMWYFYSA-N 1 0 304.390 3.110 20 5 DGBDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475100 315350591 /nfs/dbraw/zinc/35/05/91/315350591.db2.gz JZAQGDZLRWERND-BXKDBHETSA-N 1 0 318.295 3.139 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@@H](F)C2)n1 ZINC000571208248 315704255 /nfs/dbraw/zinc/70/42/55/315704255.db2.gz MCYOAROQEHWCCJ-YIYPIFLZSA-N 1 0 310.373 3.145 20 5 DGBDRO Cc1ccccc1[C@H]([C@@H](C)Nc1ccc([N+](=O)[O-])nc1)[NH+](C)C ZINC000572331425 315784400 /nfs/dbraw/zinc/78/44/00/315784400.db2.gz IIWHWDAPUCBZQM-DYVFJYSZSA-N 1 0 314.389 3.402 20 5 DGBDRO CN(C)[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000576052120 316089475 /nfs/dbraw/zinc/08/94/75/316089475.db2.gz BLEOCNYDVXPFOA-HOCLYGCPSA-N 1 0 315.373 3.068 20 5 DGBDRO Cc1cscc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000576101493 316094668 /nfs/dbraw/zinc/09/46/68/316094668.db2.gz WGYSKICPMGUADR-UHFFFAOYSA-N 1 0 319.386 3.083 20 5 DGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181358249 323252666 /nfs/dbraw/zinc/25/26/66/323252666.db2.gz MUQQCDOPMPJCQD-CYBMUJFWSA-N 1 0 313.357 3.274 20 5 DGBDRO CCSc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000182113707 323284464 /nfs/dbraw/zinc/28/44/64/323284464.db2.gz UGDMCAKYUYSFIW-GFCCVEGCSA-N 1 0 320.418 3.254 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000182943131 323317267 /nfs/dbraw/zinc/31/72/67/323317267.db2.gz XDOJQFKWHMVHDR-CYBMUJFWSA-N 1 0 319.405 3.116 20 5 DGBDRO CCC(CC)(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000183878616 323349224 /nfs/dbraw/zinc/34/92/24/323349224.db2.gz GMPAWSJPUXIMTR-LBPRGKRZSA-N 1 0 308.378 3.225 20 5 DGBDRO CSCC1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000385292067 323631282 /nfs/dbraw/zinc/63/12/82/323631282.db2.gz CMFDBLLKTRTIMF-UHFFFAOYSA-N 1 0 324.446 3.485 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CC)OC ZINC000580921206 324053038 /nfs/dbraw/zinc/05/30/38/324053038.db2.gz VXICJEIWZVNGAR-OLZOCXBDSA-N 1 0 312.435 3.480 20 5 DGBDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000581705934 324147432 /nfs/dbraw/zinc/14/74/32/324147432.db2.gz RYZADWVXLIQEKK-JTQLQIEISA-N 1 0 316.386 3.253 20 5 DGBDRO CCC(CC)(C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000582695885 324261891 /nfs/dbraw/zinc/26/18/91/324261891.db2.gz LMSTWCXDSJWXSD-LBPRGKRZSA-N 1 0 308.378 3.225 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCC[C@H]1C ZINC000584479704 337348550 /nfs/dbraw/zinc/34/85/50/337348550.db2.gz CYTRLIJYCOBHGU-JKIFEVAISA-N 1 0 317.433 3.435 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000414136210 533802282 /nfs/dbraw/zinc/80/22/82/533802282.db2.gz ISIIDRGUYGWGPQ-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO C[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296521075 533817415 /nfs/dbraw/zinc/81/74/15/533817415.db2.gz CEWFTQDLIHFGTD-IHRRRGAJSA-N 1 0 319.405 3.035 20 5 DGBDRO C[C@H]([NH2+]CCOc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178643908 533861201 /nfs/dbraw/zinc/86/12/01/533861201.db2.gz LULBHDAIOIFKEP-LBPRGKRZSA-N 1 0 304.321 3.464 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)O1 ZINC000296683400 533954649 /nfs/dbraw/zinc/95/46/49/533954649.db2.gz HAMFHCTWKMKCIY-ZDMBXUJBSA-N 1 0 318.295 3.269 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1 ZINC000446835508 534072611 /nfs/dbraw/zinc/07/26/11/534072611.db2.gz LWYLBNJKHDESQE-UHFFFAOYSA-N 1 0 310.357 3.378 20 5 DGBDRO CS[C@H]1CCCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000441110380 534086310 /nfs/dbraw/zinc/08/63/10/534086310.db2.gz HEDFMFGXNZZQSY-HNNXBMFYSA-N 1 0 310.419 3.191 20 5 DGBDRO O=C(CC[NH+](C1CCC1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000292489287 534392946 /nfs/dbraw/zinc/39/29/46/534392946.db2.gz SUPWEXLZBQJFFE-UHFFFAOYSA-N 1 0 317.389 3.330 20 5 DGBDRO Cc1cnc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000316866482 534587269 /nfs/dbraw/zinc/58/72/69/534587269.db2.gz KERYQHLDSVPYHF-WBMJQRKESA-N 1 0 306.410 3.221 20 5 DGBDRO CC[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000158270100 522587659 /nfs/dbraw/zinc/58/76/59/522587659.db2.gz SGPDKFZOQXGMPO-PBHICJAKSA-N 1 0 322.405 3.079 20 5 DGBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000154899635 522629144 /nfs/dbraw/zinc/62/91/44/522629144.db2.gz XZONLOUCTKRCLO-CYBMUJFWSA-N 1 0 319.405 3.057 20 5 DGBDRO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000148477855 524760875 /nfs/dbraw/zinc/76/08/75/524760875.db2.gz UDXRWCUAPDWAPD-NSHDSACASA-N 1 0 312.801 3.177 20 5 DGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463028263 534912998 /nfs/dbraw/zinc/91/29/98/534912998.db2.gz MGHUBOORUPJSLK-JKSUJKDBSA-N 1 0 322.405 3.155 20 5 DGBDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415059992 526619926 /nfs/dbraw/zinc/61/99/26/526619926.db2.gz VSOHKHSSZPHLBM-MRXNPFEDSA-N 1 0 317.389 3.318 20 5 DGBDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415046100 526620833 /nfs/dbraw/zinc/62/08/33/526620833.db2.gz CNOMYLYEJIDKIA-MRXNPFEDSA-N 1 0 317.389 3.318 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000432787619 527500512 /nfs/dbraw/zinc/50/05/12/527500512.db2.gz TWNPDJSLWYJONS-KSVUCXBSSA-N 1 0 317.433 3.414 20 5 DGBDRO CC(C)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000444193243 527653499 /nfs/dbraw/zinc/65/34/99/527653499.db2.gz KNRIGPULYLSZLA-ZDUSSCGKSA-N 1 0 319.405 3.290 20 5 DGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177334217 527899205 /nfs/dbraw/zinc/89/92/05/527899205.db2.gz ZTNVTXQZHHFWNE-CABCVRRESA-N 1 0 323.824 3.307 20 5 DGBDRO CCC[N@H+](CC)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000318702129 527979617 /nfs/dbraw/zinc/97/96/17/527979617.db2.gz HONXHDGCEIPLPY-UHFFFAOYSA-N 1 0 320.315 3.152 20 5 DGBDRO CC[NH+](CC)CCN(CC(C)C)c1cc(C)c([N+](=O)[O-])cn1 ZINC000443890692 528121490 /nfs/dbraw/zinc/12/14/90/528121490.db2.gz XGAVYEODIJEIGW-UHFFFAOYSA-N 1 0 308.426 3.102 20 5 DGBDRO CCOc1cc(NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000444877653 528326035 /nfs/dbraw/zinc/32/60/35/528326035.db2.gz SSHSHYPDOAUFGE-UHFFFAOYSA-N 1 0 319.405 3.280 20 5 DGBDRO CCOc1cc(NCC[N@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000302136251 528326705 /nfs/dbraw/zinc/32/67/05/528326705.db2.gz DXPJXRAFPQMQMR-UHFFFAOYSA-N 1 0 305.378 3.057 20 5 DGBDRO CCC[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000302103633 528403207 /nfs/dbraw/zinc/40/32/07/528403207.db2.gz WEYWHHRTNITWHK-AWEZNQCLSA-N 1 0 315.373 3.457 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000305736590 528594365 /nfs/dbraw/zinc/59/43/65/528594365.db2.gz SZYPWTFNHRLCKC-MLGOLLRUSA-N 1 0 310.394 3.051 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000297348381 528595103 /nfs/dbraw/zinc/59/51/03/528595103.db2.gz PADRXHVUKYBQNX-CHWSQXEVSA-N 1 0 310.394 3.053 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429448722 529022042 /nfs/dbraw/zinc/02/20/42/529022042.db2.gz GYDUCEKBJZOIQC-WCQYABFASA-N 1 0 302.321 3.042 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000330783618 529299134 /nfs/dbraw/zinc/29/91/34/529299134.db2.gz ILOIKOXPQIDPRE-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO CCOc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000469091509 535685350 /nfs/dbraw/zinc/68/53/50/535685350.db2.gz XWGAQBNFVNFCAK-LBPRGKRZSA-N 1 0 309.410 3.382 20 5 DGBDRO CCc1noc(C)c1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449341194 535885546 /nfs/dbraw/zinc/88/55/46/535885546.db2.gz SHFNUOWICYEJKG-NSHDSACASA-N 1 0 303.362 3.174 20 5 DGBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000449147890 536408969 /nfs/dbraw/zinc/40/89/69/536408969.db2.gz IKEWHQGDIRSVAA-GXTWGEPZSA-N 1 0 321.421 3.105 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000275590570 546366085 /nfs/dbraw/zinc/36/60/85/546366085.db2.gz FJHHQPOOSACDEC-LSDHHAIUSA-N 1 0 319.408 3.388 20 5 DGBDRO COc1cc(F)cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000312496457 546452889 /nfs/dbraw/zinc/45/28/89/546452889.db2.gz FDULGPBZTODFDS-UHFFFAOYSA-N 1 0 304.321 3.341 20 5 DGBDRO CC[C@H](C)[C@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)OC ZINC000381108679 546737729 /nfs/dbraw/zinc/73/77/29/546737729.db2.gz BPPVORXIIJJSTF-GTNSWQLSSA-N 1 0 317.389 3.346 20 5 DGBDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000594040340 547030749 /nfs/dbraw/zinc/03/07/49/547030749.db2.gz DTHLMBPWNRROSO-CQSZACIVSA-N 1 0 308.378 3.051 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CC[N@@H+](C4CC4)C3)sc2c1 ZINC000731209097 574545184 /nfs/dbraw/zinc/54/51/84/574545184.db2.gz RZFNFCCBSGAPNP-JTQLQIEISA-N 1 0 318.402 3.101 20 5 DGBDRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000732205752 574568063 /nfs/dbraw/zinc/56/80/63/574568063.db2.gz LMEVSWIUMWLUQT-JTQLQIEISA-N 1 0 313.785 3.165 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)C3CC3)s2)cc1 ZINC000734164874 574653740 /nfs/dbraw/zinc/65/37/40/574653740.db2.gz QSRYIAQOYXVLDE-HNNXBMFYSA-N 1 0 318.398 3.184 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000742154487 574841665 /nfs/dbraw/zinc/84/16/65/574841665.db2.gz KIYLIZCTVSXTGJ-CHWSQXEVSA-N 1 0 302.378 3.413 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000742155434 574982999 /nfs/dbraw/zinc/98/29/99/574982999.db2.gz RMVKDBUAEXEADD-OLZOCXBDSA-N 1 0 302.378 3.413 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+]1C ZINC000742412031 574997602 /nfs/dbraw/zinc/99/76/02/574997602.db2.gz MQOUTGXCWLRTRQ-ZJUUUORDSA-N 1 0 306.391 3.099 20 5 DGBDRO Cc1cc(C)cc([C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000743263214 575041047 /nfs/dbraw/zinc/04/10/47/575041047.db2.gz ITNMUURIYKRLIG-GOSISDBHSA-N 1 0 314.385 3.077 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCCC3)CC2)c(F)c1 ZINC000744171248 575076387 /nfs/dbraw/zinc/07/63/87/575076387.db2.gz BSSQIDZSTUAQJB-UHFFFAOYSA-N 1 0 321.396 3.436 20 5 DGBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746669487 575289195 /nfs/dbraw/zinc/28/91/95/575289195.db2.gz DJSJUJQCPUALQY-HUUCEWRRSA-N 1 0 312.797 3.374 20 5 DGBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000746049784 575429023 /nfs/dbraw/zinc/42/90/23/575429023.db2.gz YPZPJYSRSHTYNR-MEDUHNTESA-N 1 0 312.373 3.421 20 5 DGBDRO CC(=O)c1ccc(N2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000746090203 575432319 /nfs/dbraw/zinc/43/23/19/575432319.db2.gz UPBAXVUBLIDSEV-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000748267738 575576988 /nfs/dbraw/zinc/57/69/88/575576988.db2.gz CEJDJZOXJJYFST-IAGOWNOFSA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1Cl ZINC000749556661 575664569 /nfs/dbraw/zinc/66/45/69/575664569.db2.gz CFTZWGYKYMVEOH-UONOGXRCSA-N 1 0 324.808 3.497 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000749644965 575670648 /nfs/dbraw/zinc/67/06/48/575670648.db2.gz GDUMSPKPOZTITI-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO O=[N+]([O-])c1ccc(NC2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000751111311 575771087 /nfs/dbraw/zinc/77/10/87/575771087.db2.gz QAQPGXGDLUUIPO-UHFFFAOYSA-N 1 0 304.394 3.199 20 5 DGBDRO C[C@H]1C[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@@H]1C ZINC000751932260 575812826 /nfs/dbraw/zinc/81/28/26/575812826.db2.gz ZIDBYVMEZWZCKD-UWVGGRQHSA-N 1 0 307.375 3.417 20 5 DGBDRO CN1C[C@@H]([NH2+]Cc2c3ccccc3cc3ccccc32)CC1=O ZINC000726797706 576042639 /nfs/dbraw/zinc/04/26/39/576042639.db2.gz REIMNGYSBHXGAL-INIZCTEOSA-N 1 0 304.393 3.313 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]C[C@@H]1COCCO1 ZINC000916839962 620646882 /nfs/dbraw/zinc/64/68/82/620646882.db2.gz SDHRQWAMQJHOHS-QGZVFWFLSA-N 1 0 307.393 3.498 20 5 DGBDRO O=[N+]([O-])c1cc(OCc2cccc3c2CC[NH2+]C3)ccc1Cl ZINC000853136040 620672724 /nfs/dbraw/zinc/67/27/24/620672724.db2.gz RSYQLDPTEKPUBZ-UHFFFAOYSA-N 1 0 318.760 3.473 20 5 DGBDRO CC(C)(C)CC[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000917836803 620685357 /nfs/dbraw/zinc/68/53/57/620685357.db2.gz DLYMAJBMXLYYHU-UHFFFAOYSA-N 1 0 323.412 3.288 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000853393348 620691761 /nfs/dbraw/zinc/69/17/61/620691761.db2.gz CROVJXOXSJFNNU-GFCCVEGCSA-N 1 0 313.348 3.453 20 5 DGBDRO Cc1cccc(C)c1[C@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000853523008 620706111 /nfs/dbraw/zinc/70/61/11/620706111.db2.gz QUMBIPLUOHTUGX-CQSZACIVSA-N 1 0 300.362 3.203 20 5 DGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000804852711 617742896 /nfs/dbraw/zinc/74/28/96/617742896.db2.gz MKVODCSBJAUKNW-RISCZKNCSA-N 1 0 309.797 3.311 20 5 DGBDRO Cc1ccc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1Br ZINC000804855994 617754380 /nfs/dbraw/zinc/75/43/80/617754380.db2.gz UXYUYHNGWDQWMQ-VIFPVBQESA-N 1 0 316.199 3.028 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H](C[NH3+])CC(C)C)n1 ZINC000854139049 620773477 /nfs/dbraw/zinc/77/34/77/620773477.db2.gz DJRAUARGVJOZKR-LBPRGKRZSA-N 1 0 318.377 3.117 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CCC2=CCCCC2)c1[N+](=O)[O-] ZINC000892479043 618076509 /nfs/dbraw/zinc/07/65/09/618076509.db2.gz VMQCEQHWMDCAPK-UHFFFAOYSA-N 1 0 306.362 3.289 20 5 DGBDRO C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000892620483 618120585 /nfs/dbraw/zinc/12/05/85/618120585.db2.gz CBOZNKMDLNERLL-LLVKDONJSA-N 1 0 300.362 3.057 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892656855 618128292 /nfs/dbraw/zinc/12/82/92/618128292.db2.gz GWCLOYALOBYDRB-MRXNPFEDSA-N 1 0 320.776 3.380 20 5 DGBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000894480176 618349811 /nfs/dbraw/zinc/34/98/11/618349811.db2.gz MOGGCOSJQIYDOL-VUDBWIFFSA-N 1 0 319.188 3.318 20 5 DGBDRO CC[N@H+](CC1CC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000112199982 620798441 /nfs/dbraw/zinc/79/84/41/620798441.db2.gz OENFBJUCFLCZGF-UHFFFAOYSA-N 1 0 300.362 3.148 20 5 DGBDRO Cc1ncsc1CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894706145 618431519 /nfs/dbraw/zinc/43/15/19/618431519.db2.gz MRPIEHFYDBNKIW-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO CC1(C)CC2(CC([NH2+]CCc3cccc([N+](=O)[O-])c3)C2)CO1 ZINC000925639749 618517578 /nfs/dbraw/zinc/51/75/78/618517578.db2.gz DGQQIJUSSRRBNO-UHFFFAOYSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895214111 618577156 /nfs/dbraw/zinc/57/71/56/618577156.db2.gz HWXIRLYRTZQSEF-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO CC1([NH+]2CCCC2)CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000895523688 618795755 /nfs/dbraw/zinc/79/57/55/618795755.db2.gz OBBRPSNKWNRSCW-UHFFFAOYSA-N 1 0 304.394 3.199 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000895564571 618799495 /nfs/dbraw/zinc/79/94/95/618799495.db2.gz IZFURJPOHNCZOX-UVTDQMKNSA-N 1 0 303.406 3.024 20 5 DGBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCOC1 ZINC000895664214 618814393 /nfs/dbraw/zinc/81/43/93/618814393.db2.gz RATFQQJBPMIUGL-WCQYABFASA-N 1 0 319.361 3.031 20 5 DGBDRO Cc1cc(CO)cc(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000896561494 618928592 /nfs/dbraw/zinc/92/85/92/618928592.db2.gz NCJSRDGOHYPDJE-UHFFFAOYSA-N 1 0 314.385 3.036 20 5 DGBDRO CCO[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000897068721 619011189 /nfs/dbraw/zinc/01/11/89/619011189.db2.gz YIXPXWYXPUNRQO-LBPRGKRZSA-N 1 0 318.295 3.224 20 5 DGBDRO Cc1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cnc1F ZINC000897460506 619130135 /nfs/dbraw/zinc/13/01/35/619130135.db2.gz SYYXSDIABNPCST-LBPRGKRZSA-N 1 0 303.337 3.331 20 5 DGBDRO CCc1[nH]nc(Cl)c1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897461437 619130219 /nfs/dbraw/zinc/13/02/19/619130219.db2.gz PANFHNHCINUYEL-SNVBAGLBSA-N 1 0 322.796 3.427 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000897461279 619130313 /nfs/dbraw/zinc/13/03/13/619130313.db2.gz ZDDPSYZWPGBAIU-UOJCXKCYSA-N 1 0 316.401 3.246 20 5 DGBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H](C)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000897465476 619130663 /nfs/dbraw/zinc/13/06/63/619130663.db2.gz WVUHCNSYKRFXEB-OWYFMNJBSA-N 1 0 318.417 3.492 20 5 DGBDRO C[C@H](C[NH2+]Cc1ccc2c(n1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000897465417 619130714 /nfs/dbraw/zinc/13/07/14/619130714.db2.gz VVDKPXAGVRRKOI-CYBMUJFWSA-N 1 0 311.385 3.372 20 5 DGBDRO Cc1ccc2nc(C[NH2+]C[C@H](C)c3ccccc3[N+](=O)[O-])cn2c1 ZINC000897464320 619130717 /nfs/dbraw/zinc/13/07/17/619130717.db2.gz LAYODSMSQIWQDR-AWEZNQCLSA-N 1 0 324.384 3.444 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000897511900 619141961 /nfs/dbraw/zinc/14/19/61/619141961.db2.gz QQLAONULNXFXAJ-HIFRSBDPSA-N 1 0 310.781 3.295 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897528227 619149287 /nfs/dbraw/zinc/14/92/87/619149287.db2.gz AMKXGOBVWLVYNE-UVTDQMKNSA-N 1 0 316.401 3.283 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897535852 619151144 /nfs/dbraw/zinc/15/11/44/619151144.db2.gz FXEDSEWJPSACHF-ZVZYQTTQSA-N 1 0 320.433 3.447 20 5 DGBDRO CC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC2(CC1)OCCO2 ZINC000897720285 619175309 /nfs/dbraw/zinc/17/53/09/619175309.db2.gz NUVWKWKZTAFRPM-UHFFFAOYSA-N 1 0 320.389 3.008 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000897793703 619183155 /nfs/dbraw/zinc/18/31/55/619183155.db2.gz YDAOSMBVPUVPLQ-CYBMUJFWSA-N 1 0 321.421 3.062 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CCO)C1CCCC1 ZINC000897882584 619191220 /nfs/dbraw/zinc/19/12/20/619191220.db2.gz NBNPWUYBAQOBSC-HZPDHXFCSA-N 1 0 304.390 3.113 20 5 DGBDRO CC1(C)CC2(CC([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)CO1 ZINC000897973001 619196629 /nfs/dbraw/zinc/19/66/29/619196629.db2.gz LUCSGWSMWDEKOL-UHFFFAOYSA-N 1 0 308.353 3.171 20 5 DGBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000897969164 619200751 /nfs/dbraw/zinc/20/07/51/619200751.db2.gz FTVVNJWUDURZMH-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC(CCO)C3)o2)cc1 ZINC000898008038 619201558 /nfs/dbraw/zinc/20/15/58/619201558.db2.gz JXRYXZGHODNDLW-UHFFFAOYSA-N 1 0 316.357 3.105 20 5 DGBDRO CC1(C)CCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000898047385 619204752 /nfs/dbraw/zinc/20/47/52/619204752.db2.gz YRZSFVRXIDIJGK-LBPRGKRZSA-N 1 0 319.361 3.173 20 5 DGBDRO C[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000900653755 619442797 /nfs/dbraw/zinc/44/27/97/619442797.db2.gz MFTYJKJJMSWSAC-UKRRQHHQSA-N 1 0 319.405 3.037 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1cccc([N+](=O)[O-])c1 ZINC000902438269 619636172 /nfs/dbraw/zinc/63/61/72/619636172.db2.gz LWPSKCUSLOWQJO-RCCFBDPRSA-N 1 0 311.385 3.260 20 5 DGBDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000902775822 619674117 /nfs/dbraw/zinc/67/41/17/619674117.db2.gz CMAXXJCCGRAVRL-KBPBESRZSA-N 1 0 308.378 3.041 20 5 DGBDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000902789104 619676971 /nfs/dbraw/zinc/67/69/71/619676971.db2.gz BWAVBYJXXSMTRW-DZGCQCFKSA-N 1 0 308.378 3.041 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2ccccc2O)cc([N+](=O)[O-])c1 ZINC000903088216 619713821 /nfs/dbraw/zinc/71/38/21/619713821.db2.gz XZQNHUZXKRXKKY-LBPRGKRZSA-N 1 0 316.357 3.202 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc([N+](=O)[O-])c1 ZINC000903112299 619717835 /nfs/dbraw/zinc/71/78/35/619717835.db2.gz MVDAPDRVWGFWMX-UQCMEYCASA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc([N+](=O)[O-])c1 ZINC000903112298 619717941 /nfs/dbraw/zinc/71/79/41/619717941.db2.gz MVDAPDRVWGFWMX-QYHDQYMBSA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccncc2)cc([N+](=O)[O-])c1 ZINC000903107460 619717997 /nfs/dbraw/zinc/71/79/97/619717997.db2.gz VDBSUEKIBBHWSN-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903094550 619719144 /nfs/dbraw/zinc/71/91/44/619719144.db2.gz ZZMKMAHCXUFAED-MEDUHNTESA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903131951 619722536 /nfs/dbraw/zinc/72/25/36/619722536.db2.gz LYOGDMQSXFCLOU-LRDDRELGSA-N 1 0 322.405 3.051 20 5 DGBDRO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1[N+](=O)[O-] ZINC000903131635 619723324 /nfs/dbraw/zinc/72/33/24/619723324.db2.gz JMNJLDWBQUDPTI-WYQXTGKHSA-N 1 0 315.417 3.403 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H]2CCC(F)(F)C2)cc([N+](=O)[O-])c1 ZINC000903139681 619724644 /nfs/dbraw/zinc/72/46/44/619724644.db2.gz QRDVHWZQVAWUOS-ONGXEEELSA-N 1 0 300.305 3.442 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCOCC2CCC2)cc([N+](=O)[O-])c1 ZINC000903152703 619725613 /nfs/dbraw/zinc/72/56/13/619725613.db2.gz PPLWUQUGZWXDQE-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc([N+](=O)[O-])c1 ZINC000903154747 619726406 /nfs/dbraw/zinc/72/64/06/619726406.db2.gz VLRBDDAJLSQLQN-RISCZKNCSA-N 1 0 308.378 3.212 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCOC12CCCC2 ZINC000903148079 619728890 /nfs/dbraw/zinc/72/88/90/619728890.db2.gz VVLGAYFHSSLODB-OAHLLOKOSA-N 1 0 324.808 3.482 20 5 DGBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903194725 619734186 /nfs/dbraw/zinc/73/41/86/619734186.db2.gz QGGIPCPUKDGTSO-MKBNYLNASA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCN2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903196321 619734628 /nfs/dbraw/zinc/73/46/28/619734628.db2.gz MIXTZBCWUGQSNE-TZMCWYRMSA-N 1 0 321.421 3.127 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCOC2(C)C)cc([N+](=O)[O-])c1 ZINC000903202797 619736149 /nfs/dbraw/zinc/73/61/49/619736149.db2.gz GGFNMFPMGUDNKR-DGCLKSJQSA-N 1 0 308.378 3.069 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cn1 ZINC000903187705 619736880 /nfs/dbraw/zinc/73/68/80/619736880.db2.gz VXEFICCTNSSINW-NWDGAFQWSA-N 1 0 318.377 3.232 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903205477 619738000 /nfs/dbraw/zinc/73/80/00/619738000.db2.gz ISHPYQPONDUNBB-QWHCGFSZSA-N 1 0 308.378 3.071 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1cc2n(n1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000903244726 619743252 /nfs/dbraw/zinc/74/32/52/619743252.db2.gz CDJVDHWIVSYHMW-OLZOCXBDSA-N 1 0 314.389 3.192 20 5 DGBDRO C[C@H](C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000903244826 619743260 /nfs/dbraw/zinc/74/32/60/619743260.db2.gz DYWADXJSWQPIRA-QIIPPGSGSA-N 1 0 318.417 3.493 20 5 DGBDRO C[C@@H](C[NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccccc1[N+](=O)[O-] ZINC000903244767 619743399 /nfs/dbraw/zinc/74/33/99/619743399.db2.gz CZJCQENYIAKVBO-NWDGAFQWSA-N 1 0 301.346 3.150 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCCc2nn(C)cc21)c1ccccc1[N+](=O)[O-] ZINC000903245009 619743576 /nfs/dbraw/zinc/74/35/76/619743576.db2.gz IAFGFSDMOPSMAG-WFASDCNBSA-N 1 0 314.389 3.099 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000903245706 619743615 /nfs/dbraw/zinc/74/36/15/619743615.db2.gz OJXQDAHFQOUBAN-UOJCXKCYSA-N 1 0 318.417 3.492 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000903245707 619743648 /nfs/dbraw/zinc/74/36/48/619743648.db2.gz OJXQDAHFQOUBAN-WNOSKKOXSA-N 1 0 318.417 3.492 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cc([N+](=O)[O-])c1 ZINC000903252539 619745019 /nfs/dbraw/zinc/74/50/19/619745019.db2.gz NDYPURXOIAPDQS-XNJJOIOASA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000903278586 619751436 /nfs/dbraw/zinc/75/14/36/619751436.db2.gz GOBWCAVPOJXQPF-LZSIIWAZSA-N 1 0 320.389 3.212 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1C ZINC000903301629 619753934 /nfs/dbraw/zinc/75/39/34/619753934.db2.gz SCXUVNVYJVKBCX-MJVIPROJSA-N 1 0 309.435 3.060 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288287 619754895 /nfs/dbraw/zinc/75/48/95/619754895.db2.gz WADMMCVHHAHRAO-XWIASGKRSA-N 1 0 318.295 3.355 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)n1 ZINC000903315367 619758496 /nfs/dbraw/zinc/75/84/96/619758496.db2.gz FKTQFTIWLQJWTI-BTFPBAQTSA-N 1 0 304.394 3.053 20 5 DGBDRO C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cccc([N+](=O)[O-])c1 ZINC000903357636 619764673 /nfs/dbraw/zinc/76/46/73/619764673.db2.gz AOPPSAWRAJKHOQ-DUVNUKRYSA-N 1 0 302.374 3.205 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC000903361083 619765549 /nfs/dbraw/zinc/76/55/49/619765549.db2.gz PGTXJBSXSPWZHO-RHSMWYFYSA-N 1 0 322.405 3.138 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC[C@@H]1C ZINC000903395593 619767082 /nfs/dbraw/zinc/76/70/82/619767082.db2.gz MOHTXXGIEWFROP-XQQFMLRXSA-N 1 0 310.419 3.090 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1C ZINC000903395591 619767117 /nfs/dbraw/zinc/76/71/17/619767117.db2.gz MOHTXXGIEWFROP-JHJVBQTASA-N 1 0 310.419 3.090 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CC[C@@H](O)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000903407506 619771622 /nfs/dbraw/zinc/77/16/22/619771622.db2.gz OUQARXYGBWFXGE-HZPDHXFCSA-N 1 0 304.390 3.068 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CC[C@@H](O)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000903407507 619771691 /nfs/dbraw/zinc/77/16/91/619771691.db2.gz OUQARXYGBWFXGE-JKSUJKDBSA-N 1 0 304.390 3.068 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000903440966 619775854 /nfs/dbraw/zinc/77/58/54/619775854.db2.gz WQZLPZSJCYPQFI-NZVBXONLSA-N 1 0 322.430 3.392 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959902 619839992 /nfs/dbraw/zinc/83/99/92/619839992.db2.gz RMTUDJUTMNKJCV-YEODSOHDSA-N 1 0 315.417 3.074 20 5 DGBDRO CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1[NH3+] ZINC000903984465 619851787 /nfs/dbraw/zinc/85/17/87/619851787.db2.gz BWYHRZNKBGCDID-MRXNPFEDSA-N 1 0 315.373 3.024 20 5 DGBDRO CC1(C)CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1[NH3+] ZINC000903984579 619851974 /nfs/dbraw/zinc/85/19/74/619851974.db2.gz KOWBBAPEFANASM-INIZCTEOSA-N 1 0 315.373 3.024 20 5 DGBDRO C[NH2+][C@@H](CC(C)C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000904088423 619874125 /nfs/dbraw/zinc/87/41/25/619874125.db2.gz YMMVTXJVERKJGA-LBPRGKRZSA-N 1 0 304.350 3.260 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@H]2CCCC2(F)F)c1 ZINC000905416614 619995998 /nfs/dbraw/zinc/99/59/98/619995998.db2.gz ARCVRQKSQGGVLC-TZMCWYRMSA-N 1 0 314.332 3.043 20 5 DGBDRO CSC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000905481513 620000259 /nfs/dbraw/zinc/00/02/59/620000259.db2.gz NWMNUHWMHDXKAW-HNNXBMFYSA-N 1 0 324.446 3.284 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CCCO)cc1[N+](=O)[O-] ZINC000924842678 620348965 /nfs/dbraw/zinc/34/89/65/620348965.db2.gz UKZBDCNGLOFWHA-HUUCEWRRSA-N 1 0 322.405 3.024 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCCC1CC[NH2+]CC1 ZINC000911906600 620353663 /nfs/dbraw/zinc/35/36/63/620353663.db2.gz HUXJKVZEFGDDNN-UHFFFAOYSA-N 1 0 319.405 3.402 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000852566742 620630546 /nfs/dbraw/zinc/63/05/46/620630546.db2.gz ONCUNUUGEXFMFT-WMLDXEAASA-N 1 0 311.385 3.491 20 5 DGBDRO C[C@H]([NH2+]Cc1ccnn1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000921552930 620907555 /nfs/dbraw/zinc/90/75/55/620907555.db2.gz OIIHYYADYXBFJQ-LBPRGKRZSA-N 1 0 300.362 3.367 20 5 DGBDRO COc1cc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000922427923 621037150 /nfs/dbraw/zinc/03/71/50/621037150.db2.gz IOLHVIIWBCZANV-OCCSQVGLSA-N 1 0 320.389 3.138 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2OCCc3sccc32)c(F)c1 ZINC000922434939 621038419 /nfs/dbraw/zinc/03/84/19/621038419.db2.gz DAKIJTFETYTELR-CQSZACIVSA-N 1 0 322.361 3.199 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1nc2c(s1)CCC2 ZINC000922469675 621040858 /nfs/dbraw/zinc/04/08/58/621040858.db2.gz FKWCNBCBVUNXBE-XQRVVYSFSA-N 1 0 315.398 3.343 20 5 DGBDRO C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000857082898 621056396 /nfs/dbraw/zinc/05/63/96/621056396.db2.gz RQOIHDRRWYLMFT-WCBMZHEXSA-N 1 0 318.204 3.412 20 5 DGBDRO COc1ccc(F)c(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000857082202 621056654 /nfs/dbraw/zinc/05/66/54/621056654.db2.gz UUINMRLDCPBASE-SNVBAGLBSA-N 1 0 319.336 3.176 20 5 DGBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C ZINC000922557494 621056974 /nfs/dbraw/zinc/05/69/74/621056974.db2.gz PEUMMTAIZJMILW-WBMJQRKESA-N 1 0 315.373 3.037 20 5 DGBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C ZINC000922557492 621057200 /nfs/dbraw/zinc/05/72/00/621057200.db2.gz PEUMMTAIZJMILW-LRDDRELGSA-N 1 0 315.373 3.037 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c(F)c1 ZINC000922804554 621100992 /nfs/dbraw/zinc/10/09/92/621100992.db2.gz CGCLVJFJROWPHW-CQSZACIVSA-N 1 0 308.353 3.315 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000922897176 621128502 /nfs/dbraw/zinc/12/85/02/621128502.db2.gz MHUBBFONSGPUJO-XUASMKFJSA-N 1 0 316.401 3.403 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)cs1 ZINC000922958871 621138075 /nfs/dbraw/zinc/13/80/75/621138075.db2.gz BFOJEINXLPLWJZ-MRXNPFEDSA-N 1 0 318.398 3.452 20 5 DGBDRO Cc1ccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000922967315 621139198 /nfs/dbraw/zinc/13/91/98/621139198.db2.gz GKUOSKFAZUFJLZ-OAHLLOKOSA-N 1 0 304.390 3.485 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000922964327 621141069 /nfs/dbraw/zinc/14/10/69/621141069.db2.gz RRLRJCCTIBEECU-SFHVURJKSA-N 1 0 312.369 3.389 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2C[C@H](CO)C2)s1 ZINC000923008742 621146066 /nfs/dbraw/zinc/14/60/66/621146066.db2.gz WYJJMAWXTMACEI-HAQNSBGRSA-N 1 0 318.398 3.184 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CC2)c(Cl)c1 ZINC000923029798 621150315 /nfs/dbraw/zinc/15/03/15/621150315.db2.gz KNEKHBNZZGELQU-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858781596 621220887 /nfs/dbraw/zinc/22/08/87/621220887.db2.gz UCLHMJPMWFPBHN-HNNXBMFYSA-N 1 0 317.389 3.226 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859583072 621294672 /nfs/dbraw/zinc/29/46/72/621294672.db2.gz PZBFQRYBHLRWDL-SFHVURJKSA-N 1 0 312.369 3.078 20 5 DGBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCCCC[NH+](C)C ZINC000755707863 621587013 /nfs/dbraw/zinc/58/70/13/621587013.db2.gz LUFDUEQWBRIYPD-YPKPFQOOSA-N 1 0 320.389 3.273 20 5 DGBDRO Cc1ccc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000755921746 621603409 /nfs/dbraw/zinc/60/34/09/621603409.db2.gz USCINXXDGBRJEQ-HNNXBMFYSA-N 1 0 303.406 3.071 20 5 DGBDRO CC[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000119457127 621673758 /nfs/dbraw/zinc/67/37/58/621673758.db2.gz VHSLCVKQGDWEEM-ZDUSSCGKSA-N 1 0 300.362 3.148 20 5 DGBDRO C[C@@H]([NH3+])CN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000863651106 621693749 /nfs/dbraw/zinc/69/37/49/621693749.db2.gz AWLYUAAAEUPNNK-LLVKDONJSA-N 1 0 305.403 3.102 20 5 DGBDRO C[NH2+]C[C@@H](C)c1noc(-c2cc([N+](=O)[O-])cc3ccccc32)n1 ZINC000863657531 621695025 /nfs/dbraw/zinc/69/50/25/621695025.db2.gz UBCZQEHLJKFTCI-SNVBAGLBSA-N 1 0 312.329 3.121 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000863657384 621695084 /nfs/dbraw/zinc/69/50/84/621695084.db2.gz XENVNOUIBWBYTB-AWEZNQCLSA-N 1 0 310.313 3.223 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)ccc1Cl ZINC000758560505 621789549 /nfs/dbraw/zinc/78/95/49/621789549.db2.gz LUFSUTFWPVYEHK-LBPRGKRZSA-N 1 0 318.760 3.211 20 5 DGBDRO [NH3+]CCN(Cc1cscc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000809736175 621858024 /nfs/dbraw/zinc/85/80/24/621858024.db2.gz ISXCXCBCHAPRCM-UHFFFAOYSA-N 1 0 311.794 3.275 20 5 DGBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000760904810 621973387 /nfs/dbraw/zinc/97/33/87/621973387.db2.gz DPPBINZKECVBIM-CQSZACIVSA-N 1 0 314.769 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c(F)c1 ZINC000865760949 621990114 /nfs/dbraw/zinc/99/01/14/621990114.db2.gz AEOMDWPXPRXCFW-CJNGLKHVSA-N 1 0 308.353 3.029 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c(F)c1 ZINC000865760951 621990232 /nfs/dbraw/zinc/99/02/32/621990232.db2.gz AEOMDWPXPRXCFW-XJKSGUPXSA-N 1 0 308.353 3.029 20 5 DGBDRO CCCn1nc(C)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000865787110 621995646 /nfs/dbraw/zinc/99/56/46/621995646.db2.gz HPMXHGCSYOLCFK-UHFFFAOYSA-N 1 0 316.405 3.416 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000865788126 621995879 /nfs/dbraw/zinc/99/58/79/621995879.db2.gz ZLRKVRCOGHCFGH-YPMHNXCESA-N 1 0 318.295 3.103 20 5 DGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761290344 621999464 /nfs/dbraw/zinc/99/94/64/621999464.db2.gz IDOOPVHMBGARBI-DGCLKSJQSA-N 1 0 302.378 3.331 20 5 DGBDRO COc1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000865857877 622010136 /nfs/dbraw/zinc/01/01/36/622010136.db2.gz ZBHXZBRJVOLZQW-MRXNPFEDSA-N 1 0 320.389 3.185 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CCc1cccnc1 ZINC000866258778 622077835 /nfs/dbraw/zinc/07/78/35/622077835.db2.gz AUHCYGMBORWKBG-CYBMUJFWSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000866272616 622081982 /nfs/dbraw/zinc/08/19/82/622081982.db2.gz XWOOZPGDTKLOBG-UCDYDWOKSA-N 1 0 322.380 3.068 20 5 DGBDRO COCCC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866285932 622085152 /nfs/dbraw/zinc/08/51/52/622085152.db2.gz RUGIWSBYHAQCJZ-ZDUSSCGKSA-N 1 0 324.396 3.461 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000762619912 622086874 /nfs/dbraw/zinc/08/68/74/622086874.db2.gz XTAFYFPMWPCTCD-RDBSUJKOSA-N 1 0 310.444 3.064 20 5 DGBDRO COCCC1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866307801 622090142 /nfs/dbraw/zinc/09/01/42/622090142.db2.gz JRNOXRWFONKJKP-GFCCVEGCSA-N 1 0 310.369 3.071 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000866313072 622091529 /nfs/dbraw/zinc/09/15/29/622091529.db2.gz VHBGLNVWVCCVPE-SJORKVTESA-N 1 0 304.390 3.075 20 5 DGBDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866313684 622091690 /nfs/dbraw/zinc/09/16/90/622091690.db2.gz GHAZFOUKLRKPFR-BLLLJJGKSA-N 1 0 324.396 3.052 20 5 DGBDRO CCSCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866351636 622100824 /nfs/dbraw/zinc/10/08/24/622100824.db2.gz CQYNLUKDJXAECT-LLVKDONJSA-N 1 0 300.399 3.398 20 5 DGBDRO Cc1ccncc1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866368213 622104420 /nfs/dbraw/zinc/10/44/20/622104420.db2.gz YOUYPUYVDBQVSU-GFCCVEGCSA-N 1 0 303.337 3.158 20 5 DGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866373232 622105644 /nfs/dbraw/zinc/10/56/44/622105644.db2.gz MHVXUHVBFHJZKD-JKDFXYPNSA-N 1 0 324.396 3.458 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000866376148 622106318 /nfs/dbraw/zinc/10/63/18/622106318.db2.gz SPSBKDBFIMZNNN-UHXUPSOCSA-N 1 0 310.369 3.068 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000866386134 622108373 /nfs/dbraw/zinc/10/83/73/622108373.db2.gz XSABJEQAZVDLPV-IUODEOHRSA-N 1 0 323.412 3.127 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(C)(C)OC)cc1[N+](=O)[O-] ZINC000866504691 622128833 /nfs/dbraw/zinc/12/88/33/622128833.db2.gz MXUGKGVRTMKGQJ-GFCCVEGCSA-N 1 0 310.394 3.459 20 5 DGBDRO Cc1nn(C[N@H+]2CCC[C@@H](C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764945136 622235225 /nfs/dbraw/zinc/23/52/25/622235225.db2.gz MZOKAUOUYRHCHK-GFCCVEGCSA-N 1 0 302.378 3.332 20 5 DGBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000765390285 622262773 /nfs/dbraw/zinc/26/27/73/622262773.db2.gz CNXINGUMNDYANA-CYBMUJFWSA-N 1 0 303.406 3.199 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000766141918 622309238 /nfs/dbraw/zinc/30/92/38/622309238.db2.gz OFUKOBNYMVNGRL-DOMZBBRYSA-N 1 0 304.346 3.189 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000766224086 622313406 /nfs/dbraw/zinc/31/34/06/622313406.db2.gz LKTHBROWPJAVQA-HNNXBMFYSA-N 1 0 323.824 3.355 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000768105049 622438845 /nfs/dbraw/zinc/43/88/45/622438845.db2.gz YYOXUCNUDLWTFN-UONOGXRCSA-N 1 0 321.421 3.128 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000769003524 622491602 /nfs/dbraw/zinc/49/16/02/622491602.db2.gz AVPMIURNQVLRSK-HYXAFXHYSA-N 1 0 312.373 3.211 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC2(CCCC2)C1 ZINC000769469235 622530236 /nfs/dbraw/zinc/53/02/36/622530236.db2.gz UQFNUJFOYPDLRS-ALCCZGGFSA-N 1 0 302.374 3.253 20 5 DGBDRO Cc1nn(C[N@@H+]2CCCC3(CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000769798558 622561221 /nfs/dbraw/zinc/56/12/21/622561221.db2.gz CHDCEOUQIVAXSC-UHFFFAOYSA-N 1 0 300.362 3.086 20 5 DGBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000881864414 625579498 /nfs/dbraw/zinc/57/94/98/625579498.db2.gz QXXUBSUFJHKMGP-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)[NH+](C)C ZINC000872016344 622752773 /nfs/dbraw/zinc/75/27/73/622752773.db2.gz IVQSWRBTXCBCAH-LLVKDONJSA-N 1 0 311.451 3.308 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016319 622752892 /nfs/dbraw/zinc/75/28/92/622752892.db2.gz HYYWSZZHBXJAOB-IAQYHMDHSA-N 1 0 304.321 3.118 20 5 DGBDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037445 622766386 /nfs/dbraw/zinc/76/63/86/622766386.db2.gz FTRNTIGRKINRGG-ZUZCIYMTSA-N 1 0 324.377 3.354 20 5 DGBDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038967 622767793 /nfs/dbraw/zinc/76/77/93/622767793.db2.gz QARVJTRWGANXKD-ZUZCIYMTSA-N 1 0 324.377 3.354 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038699 622767955 /nfs/dbraw/zinc/76/79/55/622767955.db2.gz OZTSOXIEORMBDX-RZCHIYRCSA-N 1 0 308.353 3.198 20 5 DGBDRO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043299 622770592 /nfs/dbraw/zinc/77/05/92/622770592.db2.gz WOXMQTADWUSMTI-RYUDHWBXSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043380 622770912 /nfs/dbraw/zinc/77/09/12/622770912.db2.gz XKVBDCHHILZCKT-VHSXEESVSA-N 1 0 316.423 3.233 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053363 622777930 /nfs/dbraw/zinc/77/79/30/622777930.db2.gz JBRKRRNUZLJDSK-GFCCVEGCSA-N 1 0 318.348 3.120 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CO)CCC1 ZINC000872062741 622784164 /nfs/dbraw/zinc/78/41/64/622784164.db2.gz OVNHOEYNIYSETC-NSHDSACASA-N 1 0 310.419 3.130 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000872063996 622784615 /nfs/dbraw/zinc/78/46/15/622784615.db2.gz UZUXVMCXAXMJQY-HERUPUMHSA-N 1 0 310.419 3.127 20 5 DGBDRO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872084083 622796563 /nfs/dbraw/zinc/79/65/63/622796563.db2.gz PAPAYHOVVOIMRZ-RYUDHWBXSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086433 622797015 /nfs/dbraw/zinc/79/70/15/622797015.db2.gz WONNJYPHRJGPPC-RYUDHWBXSA-N 1 0 309.385 3.257 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000872128441 622822829 /nfs/dbraw/zinc/82/28/29/622822829.db2.gz QQFYXPSZWBGSEX-PWNZVWSESA-N 1 0 320.389 3.223 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@]12C[C@@H]1CCCC2 ZINC000872221657 622860868 /nfs/dbraw/zinc/86/08/68/622860868.db2.gz XMLDBLYUVBXQRB-ZFZWDLNGSA-N 1 0 304.390 3.187 20 5 DGBDRO CC(C)(C)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000872234449 622863624 /nfs/dbraw/zinc/86/36/24/622863624.db2.gz SMALZCTVWYAZJU-OAHLLOKOSA-N 1 0 318.373 3.309 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC1CC[NH+](C(C)C)CC1 ZINC000873008740 623016921 /nfs/dbraw/zinc/01/69/21/623016921.db2.gz CGNQKXPKIVQBNR-UHFFFAOYSA-N 1 0 305.422 3.174 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccccc1O ZINC000873036345 623022716 /nfs/dbraw/zinc/02/27/16/623022716.db2.gz WNLKDDQJCGNQLV-UHFFFAOYSA-N 1 0 300.358 3.250 20 5 DGBDRO Cc1c(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000873044621 623024804 /nfs/dbraw/zinc/02/48/04/623024804.db2.gz SQZOQVKSOLKFBZ-HNNXBMFYSA-N 1 0 305.422 3.113 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873051429 623025517 /nfs/dbraw/zinc/02/55/17/623025517.db2.gz BQDJDPRPDCHAPB-YVEFUNNKSA-N 1 0 318.348 3.254 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccc3c(n2)CCCC3)cccc1[N+](=O)[O-] ZINC000873115921 623039303 /nfs/dbraw/zinc/03/93/03/623039303.db2.gz WNPLOTWJUBGZTN-UHFFFAOYSA-N 1 0 311.385 3.467 20 5 DGBDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873126529 623042378 /nfs/dbraw/zinc/04/23/78/623042378.db2.gz UCIFGBKFCNFSJY-KSSFIOAISA-N 1 0 314.385 3.423 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000873131919 623043828 /nfs/dbraw/zinc/04/38/28/623043828.db2.gz ZTPJLGNZKMBPLT-AEFFLSMTSA-N 1 0 318.417 3.098 20 5 DGBDRO Cc1cccc2nc(CC[NH2+]Cc3cccc([N+](=O)[O-])c3C)cn21 ZINC000873133325 623044834 /nfs/dbraw/zinc/04/48/34/623044834.db2.gz FIJOJBUXJZIGGA-UHFFFAOYSA-N 1 0 324.384 3.192 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000873145504 623048941 /nfs/dbraw/zinc/04/89/41/623048941.db2.gz DWIHXERGJKLSCC-LBPRGKRZSA-N 1 0 322.405 3.090 20 5 DGBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000873183990 623065220 /nfs/dbraw/zinc/06/52/20/623065220.db2.gz WDMBKJLOFIZKLD-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc2nsnc21)c1cccc([N+](=O)[O-])c1 ZINC000775193094 623240048 /nfs/dbraw/zinc/24/00/48/623240048.db2.gz KKHZEAHUIWTGJD-JTQLQIEISA-N 1 0 314.370 3.450 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+]C(C2CCCC2)C2CCCC2)c1 ZINC000775618147 623297609 /nfs/dbraw/zinc/29/76/09/623297609.db2.gz WDVJTSQBVCSJHJ-UHFFFAOYSA-N 1 0 306.410 3.130 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000776277244 623405733 /nfs/dbraw/zinc/40/57/33/623405733.db2.gz QDLDEFRSRLHFDZ-MSOLQXFVSA-N 1 0 312.369 3.465 20 5 DGBDRO CC[N@H+](CCc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276624 623406236 /nfs/dbraw/zinc/40/62/36/623406236.db2.gz LEKAODWKGHCATC-GOSISDBHSA-N 1 0 314.385 3.193 20 5 DGBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC000776499985 623435879 /nfs/dbraw/zinc/43/58/79/623435879.db2.gz ZXLXBAMRSRXSAK-CUOATXAZSA-N 1 0 312.797 3.397 20 5 DGBDRO C[C@H](c1ccco1)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776590086 623444402 /nfs/dbraw/zinc/44/44/02/623444402.db2.gz BYXTZSXXANYEPB-WBMJQRKESA-N 1 0 316.357 3.447 20 5 DGBDRO C[C@@H](c1ccco1)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776590084 623444418 /nfs/dbraw/zinc/44/44/18/623444418.db2.gz BYXTZSXXANYEPB-LRDDRELGSA-N 1 0 316.357 3.447 20 5 DGBDRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602132 623445861 /nfs/dbraw/zinc/44/58/61/623445861.db2.gz SLIUXZWGYMLVDN-IRXDYDNUSA-N 1 0 315.373 3.106 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C1(C)CC1 ZINC000776881880 623473340 /nfs/dbraw/zinc/47/33/40/623473340.db2.gz ABQYJEYXSJRXFC-NEPJUHHUSA-N 1 0 305.378 3.090 20 5 DGBDRO C[N@H+](CCC1CC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956896 623590858 /nfs/dbraw/zinc/59/08/58/623590858.db2.gz BNRQEIAZZWSCQQ-UHFFFAOYSA-N 1 0 300.362 3.148 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000876765949 623701466 /nfs/dbraw/zinc/70/14/66/623701466.db2.gz XMRDOEWFIAXMQF-ZFWWWQNUSA-N 1 0 305.422 3.126 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000876779649 623703357 /nfs/dbraw/zinc/70/33/57/623703357.db2.gz AWPIIHPIFDLBLG-GJZGRUSLSA-N 1 0 304.390 3.070 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000876779651 623703647 /nfs/dbraw/zinc/70/36/47/623703647.db2.gz AWPIIHPIFDLBLG-LSDHHAIUSA-N 1 0 304.390 3.070 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000876793242 623708315 /nfs/dbraw/zinc/70/83/15/623708315.db2.gz BNGDVEWCFPTQBZ-UHFFFAOYSA-N 1 0 304.390 3.214 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000876804738 623710540 /nfs/dbraw/zinc/71/05/40/623710540.db2.gz TYTSLYIVYVVDAY-WMLDXEAASA-N 1 0 304.390 3.213 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1 ZINC000876889426 623737138 /nfs/dbraw/zinc/73/71/38/623737138.db2.gz MZMZVJJJAMICFL-FNBIGBAISA-N 1 0 320.780 3.499 20 5 DGBDRO Cc1ccccc1C[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876946994 623750931 /nfs/dbraw/zinc/75/09/31/623750931.db2.gz YPHVLEKKKSIZBS-IUDNXUCKSA-N 1 0 314.389 3.024 20 5 DGBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877007234 623765091 /nfs/dbraw/zinc/76/50/91/623765091.db2.gz IDJHCBRRNGACKI-WOICTCIZSA-N 1 0 306.410 3.443 20 5 DGBDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000877145438 623806372 /nfs/dbraw/zinc/80/63/72/623806372.db2.gz HLTSBFLTAFMGGM-QKVFXAPYSA-N 1 0 314.322 3.407 20 5 DGBDRO CCC[C@@]1(CO)CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877537990 623931750 /nfs/dbraw/zinc/93/17/50/623931750.db2.gz RXZZBKUKUJOZDI-QGZVFWFLSA-N 1 0 306.406 3.196 20 5 DGBDRO C[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000877701123 623996405 /nfs/dbraw/zinc/99/64/05/623996405.db2.gz KVGBGWJPCBRRQJ-VURMDHGXSA-N 1 0 303.406 3.024 20 5 DGBDRO COC(=O)c1csc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000877729973 624006584 /nfs/dbraw/zinc/00/65/84/624006584.db2.gz IDWAGAPCWFRHDH-UHFFFAOYSA-N 1 0 320.370 3.041 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000877737055 624011004 /nfs/dbraw/zinc/01/10/04/624011004.db2.gz GPZXPSXPGSWASN-RYUDHWBXSA-N 1 0 312.822 3.433 20 5 DGBDRO CC(C)(O)[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877796272 624037093 /nfs/dbraw/zinc/03/70/93/624037093.db2.gz BRVAQCTWFXKREX-GTBONMDNSA-N 1 0 304.390 3.091 20 5 DGBDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877816654 624048981 /nfs/dbraw/zinc/04/89/81/624048981.db2.gz BQWVOIDCAIBSRI-AWEZNQCLSA-N 1 0 320.389 3.068 20 5 DGBDRO C[C@H]1C[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C(C)(C)C1 ZINC000878158537 624193637 /nfs/dbraw/zinc/19/36/37/624193637.db2.gz IXDGXWJLBQCCCT-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H](CO)c1cccc(F)c1 ZINC000782060833 624196416 /nfs/dbraw/zinc/19/64/16/624196416.db2.gz GUIDRTZKABPAJF-AWEZNQCLSA-N 1 0 324.739 3.211 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC3(CCC3)C2)o1 ZINC000878187487 624207157 /nfs/dbraw/zinc/20/71/57/624207157.db2.gz AVKGXSKGFDQCKC-UHFFFAOYSA-N 1 0 314.345 3.021 20 5 DGBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878414237 624271925 /nfs/dbraw/zinc/27/19/25/624271925.db2.gz IBJWUSULEBWCNY-WCQYABFASA-N 1 0 316.361 3.313 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000782944870 624293399 /nfs/dbraw/zinc/29/33/99/624293399.db2.gz LKBMYMXKPFJPMO-KBPBESRZSA-N 1 0 312.369 3.497 20 5 DGBDRO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1(C)CCCC1 ZINC000878526351 624298848 /nfs/dbraw/zinc/29/88/48/624298848.db2.gz JFCLGYIGYNPSQR-UHFFFAOYSA-N 1 0 316.361 3.409 20 5 DGBDRO C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000783306970 624336767 /nfs/dbraw/zinc/33/67/67/624336767.db2.gz SBFXODCRXGKARD-DZGCQCFKSA-N 1 0 303.406 3.342 20 5 DGBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783596348 624372414 /nfs/dbraw/zinc/37/24/14/624372414.db2.gz KBBVPHRRHDPLTI-ZDUSSCGKSA-N 1 0 320.780 3.149 20 5 DGBDRO COCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783659459 624380657 /nfs/dbraw/zinc/38/06/57/624380657.db2.gz FWHLVISJXXXCAD-UHFFFAOYSA-N 1 0 312.797 3.497 20 5 DGBDRO CCOc1cc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000879407003 624535182 /nfs/dbraw/zinc/53/51/82/624535182.db2.gz SIFQIFNQTWEWMW-INIZCTEOSA-N 1 0 322.405 3.431 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879406610 624535347 /nfs/dbraw/zinc/53/53/47/624535347.db2.gz JFEMROQUWSFQGF-HNNXBMFYSA-N 1 0 308.378 3.041 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)ccc1Cl ZINC000879418383 624540683 /nfs/dbraw/zinc/54/06/83/624540683.db2.gz HKSALSNBPQSKCT-BJJXKVORSA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879738154 624658380 /nfs/dbraw/zinc/65/83/80/624658380.db2.gz OFQITNFQTHXKTL-HNNXBMFYSA-N 1 0 308.353 3.315 20 5 DGBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000785988352 624775088 /nfs/dbraw/zinc/77/50/88/624775088.db2.gz LTHJTNPCYTYNCI-ZETOZRRWSA-N 1 0 312.797 3.230 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000786810777 624955388 /nfs/dbraw/zinc/95/53/88/624955388.db2.gz ANMXQMOUMDYOGI-HOFZKYPUSA-N 1 0 316.357 3.088 20 5 DGBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000880459451 624961307 /nfs/dbraw/zinc/96/13/07/624961307.db2.gz VBGGFJYCSFZKET-QGZVFWFLSA-N 1 0 300.358 3.150 20 5 DGBDRO CC1([NH+]2CCC2)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000880473139 624964367 /nfs/dbraw/zinc/96/43/67/624964367.db2.gz QHGDLOBZNWHTKM-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128592872 625023068 /nfs/dbraw/zinc/02/30/68/625023068.db2.gz OZDXVOQXMZBWJO-RYUDHWBXSA-N 1 0 323.368 3.325 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)c2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000788575683 625218141 /nfs/dbraw/zinc/21/81/41/625218141.db2.gz IQBAUFDYRMWMFP-GJZGRUSLSA-N 1 0 316.357 3.233 20 5 DGBDRO C[C@H]([NH2+]CCN1[C@@H](C)CCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788596667 625223617 /nfs/dbraw/zinc/22/36/17/625223617.db2.gz ZSAMHVVALKPASF-IHRRRGAJSA-N 1 0 320.437 3.091 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C12CCC2 ZINC000788607058 625227643 /nfs/dbraw/zinc/22/76/43/625227643.db2.gz BWXBDWHCWMWBIC-IUIKQTSFSA-N 1 0 319.405 3.175 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000796434635 626049203 /nfs/dbraw/zinc/04/92/03/626049203.db2.gz GEPQHHNNMXWMHV-UHFFFAOYSA-N 1 0 322.405 3.148 20 5 DGBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000800897721 626383602 /nfs/dbraw/zinc/38/36/02/626383602.db2.gz MCTRVJQXUVVGCC-SFHVURJKSA-N 1 0 314.385 3.343 20 5 DGBDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000800897718 626383723 /nfs/dbraw/zinc/38/37/23/626383723.db2.gz MCTRVJQXUVVGCC-GOSISDBHSA-N 1 0 314.385 3.343 20 5 DGBDRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517661 626406681 /nfs/dbraw/zinc/40/66/81/626406681.db2.gz KBZJTLIQPRVHLU-ZDUSSCGKSA-N 1 0 318.348 3.117 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1F ZINC000801519217 626406990 /nfs/dbraw/zinc/40/69/90/626406990.db2.gz IPJSJCSGBJSMPY-MRXNPFEDSA-N 1 0 308.353 3.127 20 5 DGBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801525529 626407731 /nfs/dbraw/zinc/40/77/31/626407731.db2.gz VUFKHVVFVDHPID-PXAZEXFGSA-N 1 0 324.396 3.401 20 5 DGBDRO Cn1cc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C(C)(C)C)cn1 ZINC000801532572 626408069 /nfs/dbraw/zinc/40/80/69/626408069.db2.gz BGQGAQUWNYNUHH-HNNXBMFYSA-N 1 0 320.368 3.344 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1c(C)nn(C)c1C ZINC000801539170 626408970 /nfs/dbraw/zinc/40/89/70/626408970.db2.gz CKOCLCSZWATNTO-CQSZACIVSA-N 1 0 320.368 3.325 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccns1 ZINC000883240259 626620210 /nfs/dbraw/zinc/62/02/10/626620210.db2.gz NFZYLNGWXKLFQU-FMIVXFBMSA-N 1 0 303.387 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccns1)CCC2 ZINC000883247432 626622442 /nfs/dbraw/zinc/62/24/42/626622442.db2.gz KBCXDKJFDSRTBR-HNNXBMFYSA-N 1 0 303.387 3.261 20 5 DGBDRO C=C/C=C/CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000883267512 626630525 /nfs/dbraw/zinc/63/05/25/626630525.db2.gz IGIKHDQWWVTNIW-MUBLQREKSA-N 1 0 303.362 3.034 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000883271765 626630946 /nfs/dbraw/zinc/63/09/46/626630946.db2.gz VVERCBCODVQDBQ-MUIFIZLQSA-N 1 0 318.417 3.321 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000883320304 626646614 /nfs/dbraw/zinc/64/66/14/626646614.db2.gz HVCXIFBVIODDCU-TXCZRRACSA-N 1 0 318.417 3.321 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000883357419 626659469 /nfs/dbraw/zinc/65/94/69/626659469.db2.gz KVSANBLKPPWBLA-VXGBXAGGSA-N 1 0 308.353 3.486 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883357790 626659707 /nfs/dbraw/zinc/65/97/07/626659707.db2.gz UHYCAHLDGJKDOY-DOMZBBRYSA-N 1 0 302.374 3.273 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883364904 626662573 /nfs/dbraw/zinc/66/25/73/626662573.db2.gz PZARIOUDRJRVHS-OAHLLOKOSA-N 1 0 320.389 3.185 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804330505 626670013 /nfs/dbraw/zinc/67/00/13/626670013.db2.gz WUHNMGBIZUKGOH-GFCCVEGCSA-N 1 0 322.365 3.179 20 5 DGBDRO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000804349635 626672368 /nfs/dbraw/zinc/67/23/68/626672368.db2.gz PAEVRPLYROTXMD-VXGBXAGGSA-N 1 0 322.365 3.178 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000804356680 626673074 /nfs/dbraw/zinc/67/30/74/626673074.db2.gz MMOXEUVURGDMGV-ZDUSSCGKSA-N 1 0 309.797 3.313 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804372048 626673957 /nfs/dbraw/zinc/67/39/57/626673957.db2.gz HYVPBHPMUMNDOQ-NWDGAFQWSA-N 1 0 322.365 3.035 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000804557098 626692855 /nfs/dbraw/zinc/69/28/55/626692855.db2.gz LBGJPOCGGPBUFC-WCQYABFASA-N 1 0 309.797 3.169 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC1(C[NH+](C)C)CCCC1 ZINC000804613356 626697533 /nfs/dbraw/zinc/69/75/33/626697533.db2.gz GPNNJHZAVLTNGU-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000807925232 626778291 /nfs/dbraw/zinc/77/82/91/626778291.db2.gz BREYCPWIGZAENZ-QWHCGFSZSA-N 1 0 319.405 3.330 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)C(C)(C)C[NH+](C)C ZINC000807985939 626782661 /nfs/dbraw/zinc/78/26/61/626782661.db2.gz QADCTFFCUSMRSA-GFCCVEGCSA-N 1 0 307.394 3.186 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000808230811 626806845 /nfs/dbraw/zinc/80/68/45/626806845.db2.gz QQIJSOGOBDMYLK-CYBMUJFWSA-N 1 0 300.362 3.024 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000800199834 626824160 /nfs/dbraw/zinc/82/41/60/626824160.db2.gz SKPLDKDAAQCGIV-YPKPFQOOSA-N 1 0 320.389 3.273 20 5 DGBDRO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000840182104 626923070 /nfs/dbraw/zinc/92/30/70/626923070.db2.gz NQXRFJLJDZTHFG-HZPDHXFCSA-N 1 0 314.389 3.407 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000884717543 626934642 /nfs/dbraw/zinc/93/46/42/626934642.db2.gz DNYIRTNLHJOKRB-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000884717684 626934760 /nfs/dbraw/zinc/93/47/60/626934760.db2.gz IYRQRRCXKWFPBM-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809714980 626940393 /nfs/dbraw/zinc/94/03/93/626940393.db2.gz AONFLEINAOPQSK-ZDUSSCGKSA-N 1 0 311.813 3.212 20 5 DGBDRO CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CC(C)(C)C1 ZINC000840183852 626940654 /nfs/dbraw/zinc/94/06/54/626940654.db2.gz KAAPTNSCBOLXBZ-UHFFFAOYSA-N 1 0 317.393 3.116 20 5 DGBDRO Cc1cccc(C)c1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809732592 626943157 /nfs/dbraw/zinc/94/31/57/626943157.db2.gz GBROKURUCWWEOJ-KRWDZBQOSA-N 1 0 300.358 3.035 20 5 DGBDRO CN(Cc1csc([N+](=O)[O-])c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738693 626944400 /nfs/dbraw/zinc/94/44/00/626944400.db2.gz FFOFFFXRBUMZFX-UHFFFAOYSA-N 1 0 319.430 3.350 20 5 DGBDRO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809768002 626950534 /nfs/dbraw/zinc/95/05/34/626950534.db2.gz ZVVTVEYJKBAFEP-GFCCVEGCSA-N 1 0 300.786 3.087 20 5 DGBDRO CC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809933444 626960670 /nfs/dbraw/zinc/96/06/70/626960670.db2.gz HEWGLGFUSBAVSX-UHFFFAOYSA-N 1 0 318.204 3.039 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](OC)CC2)cc1[N+](=O)[O-] ZINC000885951931 627067803 /nfs/dbraw/zinc/06/78/03/627067803.db2.gz RXIPOSZKIUERLY-ZIAGYGMSSA-N 1 0 308.378 3.041 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886075158 627099350 /nfs/dbraw/zinc/09/93/50/627099350.db2.gz CXOHFAAZHPXAQU-UONOGXRCSA-N 1 0 307.394 3.015 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886075159 627099432 /nfs/dbraw/zinc/09/94/32/627099432.db2.gz CXOHFAAZHPXAQU-ZIAGYGMSSA-N 1 0 307.394 3.015 20 5 DGBDRO CC[N@@H+](Cc1ccccc1C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136924406 627104765 /nfs/dbraw/zinc/10/47/65/627104765.db2.gz IBYMNZNEEMWSIU-GOSISDBHSA-N 1 0 314.385 3.459 20 5 DGBDRO CC(C)C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000137072716 627105363 /nfs/dbraw/zinc/10/53/63/627105363.db2.gz RIBKHASDUDZQGX-YOEHRIQHSA-N 1 0 306.406 3.386 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886201419 627120803 /nfs/dbraw/zinc/12/08/03/627120803.db2.gz DLJWKPKHRZQDSB-RDJZCZTQSA-N 1 0 304.390 3.027 20 5 DGBDRO CC(C)([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1ccccc1[N+](=O)[O-] ZINC000886215507 627122263 /nfs/dbraw/zinc/12/22/63/627122263.db2.gz LJNPTQMGAHFXNS-CZUORRHYSA-N 1 0 304.390 3.377 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1cccc(CO)c1 ZINC000218989289 627133358 /nfs/dbraw/zinc/13/33/58/627133358.db2.gz UCSGQRQNUIOPFB-UHFFFAOYSA-N 1 0 306.749 3.030 20 5 DGBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCOC2(CCC2)C1 ZINC000886344653 627140879 /nfs/dbraw/zinc/14/08/79/627140879.db2.gz JAGVSIINYFDGPC-AWEZNQCLSA-N 1 0 310.419 3.485 20 5 DGBDRO Cc1noc(C[NH2+][C@@H](Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000886422548 627147301 /nfs/dbraw/zinc/14/73/01/627147301.db2.gz RNPNKMOKLDRISJ-AWEZNQCLSA-N 1 0 303.362 3.248 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@@H]1c1ccccc1 ZINC000886540164 627159446 /nfs/dbraw/zinc/15/94/46/627159446.db2.gz ABUIPLUSLQMOEF-SUMWQHHRSA-N 1 0 314.389 3.183 20 5 DGBDRO Cc1nc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)[nH]c1C ZINC000886661124 627182927 /nfs/dbraw/zinc/18/29/27/627182927.db2.gz NARCNBRTMFYZFD-UHFFFAOYSA-N 1 0 314.389 3.314 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886703397 627195030 /nfs/dbraw/zinc/19/50/30/627195030.db2.gz UQVYZAYINFIBDR-OCCSQVGLSA-N 1 0 320.389 3.213 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(C3(O)CCC3)CCC2)ccc1Cl ZINC000886979265 627217638 /nfs/dbraw/zinc/21/76/38/627217638.db2.gz FYXJCNPTGXWRBN-UHFFFAOYSA-N 1 0 324.808 3.423 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+]C2(C3CC3)CCC2)cccc1[N+](=O)[O-] ZINC000887147485 627229735 /nfs/dbraw/zinc/22/97/35/627229735.db2.gz PCKQTNWZRRKPLW-UHFFFAOYSA-N 1 0 317.389 3.154 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811869842 627331765 /nfs/dbraw/zinc/33/17/65/627331765.db2.gz ZMYZJAIGDHAUEQ-NSHDSACASA-N 1 0 310.354 3.035 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000811866959 627331838 /nfs/dbraw/zinc/33/18/38/627331838.db2.gz JGWUQZWFBDFQEJ-GFCCVEGCSA-N 1 0 307.394 3.330 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000814224538 627552681 /nfs/dbraw/zinc/55/26/81/627552681.db2.gz IZOJGBQDHPNXCQ-MRXNPFEDSA-N 1 0 314.389 3.245 20 5 DGBDRO Cc1cc(-c2noc([C@H]3CCC[N@H+]3C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000924092771 627601100 /nfs/dbraw/zinc/60/11/00/627601100.db2.gz IAMCYCCAHMURRB-CQSZACIVSA-N 1 0 316.361 3.499 20 5 DGBDRO Cc1ccccc1C(C)(C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000815148868 627637552 /nfs/dbraw/zinc/63/75/52/627637552.db2.gz NYXTVQUGNPBRCM-QGZVFWFLSA-N 1 0 314.385 3.462 20 5 DGBDRO C[C@H](NCC1([NH+](C)C)CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553547 627684324 /nfs/dbraw/zinc/68/43/24/627684324.db2.gz CNQPQTJJYFZLLU-ZDUSSCGKSA-N 1 0 320.437 3.092 20 5 DGBDRO C[C@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561435 627684702 /nfs/dbraw/zinc/68/47/02/627684702.db2.gz HDSYSYJPCAOIBJ-IIYDPXPESA-N 1 0 321.421 3.423 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597109 627688930 /nfs/dbraw/zinc/68/89/30/627688930.db2.gz MQKRTWILZPDIDO-LLVKDONJSA-N 1 0 313.357 3.058 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597349 627689126 /nfs/dbraw/zinc/68/91/26/627689126.db2.gz UOCJCWFSAWPEOQ-DKHNTLRKSA-N 1 0 323.396 3.414 20 5 DGBDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815617320 627691174 /nfs/dbraw/zinc/69/11/74/627691174.db2.gz KUOPBDYNCJZSCV-GOPGUHFVSA-N 1 0 319.405 3.033 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000924954220 627697187 /nfs/dbraw/zinc/69/71/87/627697187.db2.gz HYIZQCHSGASHRU-BBRMVZONSA-N 1 0 322.405 3.024 20 5 DGBDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000924954218 627697195 /nfs/dbraw/zinc/69/71/95/627697195.db2.gz HWMRSCYNEOZUFB-XJKSGUPXSA-N 1 0 310.394 3.023 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC[C@H]2CCCO)cc1 ZINC000924956376 627697448 /nfs/dbraw/zinc/69/74/48/627697448.db2.gz WAOPZYRAQPPFMP-DOTOQJQBSA-N 1 0 306.406 3.058 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cn(C)cn1 ZINC000925467591 627739973 /nfs/dbraw/zinc/73/99/73/627739973.db2.gz URNRPMCQDWZLQE-ZDUSSCGKSA-N 1 0 302.378 3.002 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](C3CCCC3)C2)cc1 ZINC000817283416 627877660 /nfs/dbraw/zinc/87/76/60/627877660.db2.gz VMMKWECNUPLAIK-RDJZCZTQSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000817299022 627879714 /nfs/dbraw/zinc/87/97/14/627879714.db2.gz SJEOBOTTXYLPTH-LBPRGKRZSA-N 1 0 312.797 3.233 20 5 DGBDRO C[C@@H]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH3+] ZINC000817865896 627951648 /nfs/dbraw/zinc/95/16/48/627951648.db2.gz OIXQIAHPZRENJZ-NQBHXWOUSA-N 1 0 311.813 3.053 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000926890838 627972185 /nfs/dbraw/zinc/97/21/85/627972185.db2.gz FQBFXVBTSWWDJS-SYAUCNOPSA-N 1 0 304.390 3.451 20 5 DGBDRO CCC[C@@H]([NH2+]CCc1cc(C)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000926914536 627978955 /nfs/dbraw/zinc/97/89/55/627978955.db2.gz LEFWEKULLQHDHO-QGZVFWFLSA-N 1 0 316.405 3.310 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927061776 628005795 /nfs/dbraw/zinc/00/57/95/628005795.db2.gz SKXFFQHHTFCNIH-XHDPSFHLSA-N 1 0 312.373 3.300 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2C[C@H](CO)C2)c2ccccc2)c1 ZINC000927146168 628026212 /nfs/dbraw/zinc/02/62/12/628026212.db2.gz CJRJYBMRVNHJRI-OWQGQXMQSA-N 1 0 312.369 3.045 20 5 DGBDRO [NH3+]CCCCCCCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000818619634 628044524 /nfs/dbraw/zinc/04/45/24/628044524.db2.gz HIWCOXYUCCCJDD-UHFFFAOYSA-N 1 0 302.378 3.368 20 5 DGBDRO CCC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000819018215 628078830 /nfs/dbraw/zinc/07/88/30/628078830.db2.gz QVQODEKMABOKPT-DOTOQJQBSA-N 1 0 315.373 3.154 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000819031344 628080811 /nfs/dbraw/zinc/08/08/11/628080811.db2.gz MFLQFDNJAQKFFA-IRXDYDNUSA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000819104870 628092759 /nfs/dbraw/zinc/09/27/59/628092759.db2.gz VZNISNOVVFHZLR-BRWVUGGUSA-N 1 0 304.390 3.187 20 5 DGBDRO Cc1ccc(CC[C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000819112933 628094538 /nfs/dbraw/zinc/09/45/38/628094538.db2.gz JULGVDUHLGGKEC-SJCJKPOMSA-N 1 0 318.373 3.141 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000819234032 628117625 /nfs/dbraw/zinc/11/76/25/628117625.db2.gz VNFVKOIKYJVRJS-CABCVRRESA-N 1 0 318.398 3.357 20 5 DGBDRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819261589 628122757 /nfs/dbraw/zinc/12/27/57/628122757.db2.gz FGYKALPNGDDYEL-ZWNOBZJWSA-N 1 0 320.311 3.339 20 5 DGBDRO C[C@@H](NC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928247535 628132643 /nfs/dbraw/zinc/13/26/43/628132643.db2.gz XBCKHMAEKRPPGA-AAVRWANBSA-N 1 0 319.405 3.033 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCCC2(F)F)c1 ZINC000819338552 628136115 /nfs/dbraw/zinc/13/61/15/628136115.db2.gz CCHATLRNMYCCRX-TZMCWYRMSA-N 1 0 314.332 3.043 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3nonc3c2)cc1[N+](=O)[O-] ZINC000821402639 628364490 /nfs/dbraw/zinc/36/44/90/628364490.db2.gz WHEMYQOGPOIPAD-NSHDSACASA-N 1 0 312.329 3.290 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@](C)(O)c1ccccc1 ZINC000822517013 628459862 /nfs/dbraw/zinc/45/98/62/628459862.db2.gz SSNKOBQJZQDNOY-KRWDZBQOSA-N 1 0 318.348 3.073 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2C[C@H](C)CC[NH2+]2)n1 ZINC000822807787 628497689 /nfs/dbraw/zinc/49/76/89/628497689.db2.gz HGHPEYNXLMBUQS-NOZJJQNGSA-N 1 0 302.334 3.014 20 5 DGBDRO Cc1cc(-c2noc([C@@H](C(C)C)[C@@H](C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000823270345 628544359 /nfs/dbraw/zinc/54/43/59/628544359.db2.gz QBPSXWRGKHWRCM-MFKMUULPSA-N 1 0 304.350 3.040 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1Cl ZINC000825133937 628731252 /nfs/dbraw/zinc/73/12/52/628731252.db2.gz QUWFXBKOGPFVMY-OAHLLOKOSA-N 1 0 310.781 3.251 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCC[C@H]1CO ZINC000825187506 628736005 /nfs/dbraw/zinc/73/60/05/628736005.db2.gz ACXGKCKUNAZPRP-UFBFGSQYSA-N 1 0 319.188 3.152 20 5 DGBDRO COCCN(CCF)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000827053681 628917010 /nfs/dbraw/zinc/91/70/10/628917010.db2.gz FIMWEARAXRIIJR-UHFFFAOYSA-N 1 0 322.336 3.273 20 5 DGBDRO Cc1ccccc1C1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000829499550 629163126 /nfs/dbraw/zinc/16/31/26/629163126.db2.gz ATCCFNNRSHYBNM-KRWDZBQOSA-N 1 0 312.369 3.216 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1F ZINC000829522393 629165770 /nfs/dbraw/zinc/16/57/70/629165770.db2.gz GHSPKJGTLXEIRS-AWEZNQCLSA-N 1 0 301.321 3.118 20 5 DGBDRO C[C@@]12C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000831009822 629330649 /nfs/dbraw/zinc/33/06/49/629330649.db2.gz HJANKYQMFSHBSO-OEUWWYETSA-N 1 0 302.349 3.378 20 5 DGBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000832634185 629501123 /nfs/dbraw/zinc/50/11/23/629501123.db2.gz LCKBXJOSCUFSKM-GOSISDBHSA-N 1 0 314.385 3.377 20 5 DGBDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832727674 629508097 /nfs/dbraw/zinc/50/80/97/629508097.db2.gz WLGVTWNPVSWRDB-BBRMVZONSA-N 1 0 306.406 3.386 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000834387271 629703206 /nfs/dbraw/zinc/70/32/06/629703206.db2.gz DYUOWBUSYMGLEZ-BBWFWOEESA-N 1 0 306.406 3.241 20 5 DGBDRO Cc1ccc(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])nc1 ZINC000835064505 629842353 /nfs/dbraw/zinc/84/23/53/629842353.db2.gz FFMQPLPBHCMRCH-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)C(C)C ZINC000840968764 630388240 /nfs/dbraw/zinc/38/82/40/630388240.db2.gz VEYXFPFHJOTVEE-TZMCWYRMSA-N 1 0 300.786 3.133 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841106008 630408533 /nfs/dbraw/zinc/40/85/33/630408533.db2.gz GDAPJESYNJYCNE-CYBMUJFWSA-N 1 0 317.776 3.138 20 5 DGBDRO Cc1ccc(-c2noc([C@@H](C(C)C)[C@@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000841824402 630468906 /nfs/dbraw/zinc/46/89/06/630468906.db2.gz NTQCVIVZFNUHKB-MFKMUULPSA-N 1 0 304.350 3.040 20 5 DGBDRO C[C@H]1[C@@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000842165172 630501027 /nfs/dbraw/zinc/50/10/27/630501027.db2.gz AJYXRTQSSLGRTI-IJLUTSLNSA-N 1 0 323.368 3.039 20 5 DGBDRO CC(C)c1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)cc1[N+](=O)[O-] ZINC000842669657 630560988 /nfs/dbraw/zinc/56/09/88/630560988.db2.gz OONSHYYQZWEBSD-LBPRGKRZSA-N 1 0 316.361 3.235 20 5 DGBDRO CCCC[C@](C)(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842746136 630570517 /nfs/dbraw/zinc/57/05/17/630570517.db2.gz JTQKRVNVEAZEFG-CQSZACIVSA-N 1 0 300.786 3.279 20 5 DGBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842757630 630572335 /nfs/dbraw/zinc/57/23/35/630572335.db2.gz YHCDIEZFWBHWEL-MFKMUULPSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1cc(C(=O)OC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000842835338 630582981 /nfs/dbraw/zinc/58/29/81/630582981.db2.gz WCFXSJWWJIAEDT-AWEZNQCLSA-N 1 0 320.389 3.180 20 5 DGBDRO CC(C)[C@@H]([NH3+])c1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000843149574 630620297 /nfs/dbraw/zinc/62/02/97/630620297.db2.gz BPIMSHPBRBSKKF-JOYOIKCWSA-N 1 0 322.390 3.487 20 5 DGBDRO CC(C)[C@H]([NH3+])c1noc(-c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000843151818 630621424 /nfs/dbraw/zinc/62/14/24/630621424.db2.gz BNQWZALJZPMXFU-LBPRGKRZSA-N 1 0 302.290 3.047 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000844907541 630975494 /nfs/dbraw/zinc/97/54/94/630975494.db2.gz KJXNPNYMMAHIHI-CQSZACIVSA-N 1 0 317.776 3.375 20 5 DGBDRO C[NH+](C)CC1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845469209 631177158 /nfs/dbraw/zinc/17/71/58/631177158.db2.gz KQFJOPWCTCMBCH-UHFFFAOYSA-N 1 0 315.776 3.165 20 5 DGBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C[NH+]1CCCC1 ZINC000845663412 631186380 /nfs/dbraw/zinc/18/63/80/631186380.db2.gz NXBTUIKYWDGCAR-FZDNWWAKSA-N 1 0 318.373 3.026 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@](C)(O)c1ccccc1 ZINC000846040470 631207675 /nfs/dbraw/zinc/20/76/75/631207675.db2.gz XJUXLTIELRWNEV-SJCJKPOMSA-N 1 0 318.348 3.120 20 5 DGBDRO CC(C)([NH2+]Cc1ccc2nonc2c1)c1ccccc1[N+](=O)[O-] ZINC000846918221 631352756 /nfs/dbraw/zinc/35/27/56/631352756.db2.gz IWAUBFBPHCLNRT-UHFFFAOYSA-N 1 0 312.329 3.156 20 5 DGBDRO CC(C)[C@H](C)[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848474822 631667947 /nfs/dbraw/zinc/66/79/47/631667947.db2.gz IZXBSILNORUZQV-ZDUSSCGKSA-N 1 0 302.378 3.392 20 5 DGBDRO C[C@@H]1C[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@H]1C ZINC000848481191 631669112 /nfs/dbraw/zinc/66/91/12/631669112.db2.gz WONFNNKFUZMOCI-CHWSQXEVSA-N 1 0 300.362 3.004 20 5 DGBDRO C[C@](O)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccsc1 ZINC000848528085 631678729 /nfs/dbraw/zinc/67/87/29/631678729.db2.gz KCIRJJQANPCTTG-HOCLYGCPSA-N 1 0 318.398 3.141 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000848567768 631695815 /nfs/dbraw/zinc/69/58/15/631695815.db2.gz NTALEIQWESZOQO-HZUKXOBISA-N 1 0 307.394 3.175 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848785597 631748638 /nfs/dbraw/zinc/74/86/38/631748638.db2.gz MTOLTWCFMOIRQK-RDJZCZTQSA-N 1 0 317.389 3.226 20 5 DGBDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000848926664 631790551 /nfs/dbraw/zinc/79/05/51/631790551.db2.gz VDTRLAUEMYVKIL-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO Cc1ccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000849329126 631893389 /nfs/dbraw/zinc/89/33/89/631893389.db2.gz MQYOZGPOKZRSCF-GOSISDBHSA-N 1 0 314.385 3.077 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)c1ccsc1 ZINC000850437353 632152541 /nfs/dbraw/zinc/15/25/41/632152541.db2.gz OJAZBRZYJBSPML-YGRLFVJLSA-N 1 0 322.386 3.049 20 5 DGBDRO CCC(O)(CC)C(C)(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850500321 632172408 /nfs/dbraw/zinc/17/24/08/632172408.db2.gz CNIASUWSOTTWHD-GFCCVEGCSA-N 1 0 323.437 3.405 20 5 DGBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000850541228 632186853 /nfs/dbraw/zinc/18/68/53/632186853.db2.gz WYQMOHRNMSVOOJ-QGZVFWFLSA-N 1 0 303.406 3.342 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(c3ccco3)CC2)cc1 ZINC000852321148 632586620 /nfs/dbraw/zinc/58/66/20/632586620.db2.gz JBKONWGZCAWCTF-INIZCTEOSA-N 1 0 316.357 3.101 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(C3CCC3)CC2)c1 ZINC000852408047 632600358 /nfs/dbraw/zinc/60/03/58/632600358.db2.gz NWZCLJCACJRUON-QGZVFWFLSA-N 1 0 304.390 3.140 20 5 DGBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852422931 632601834 /nfs/dbraw/zinc/60/18/34/632601834.db2.gz NTVNJQGWCCSNGJ-BXUZGUMPSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000793610313 661049709 /nfs/dbraw/zinc/04/97/09/661049709.db2.gz SXONUOHTZQAZDL-GJZGRUSLSA-N 1 0 310.781 3.392 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000793610312 661049982 /nfs/dbraw/zinc/04/99/82/661049982.db2.gz SXONUOHTZQAZDL-CABCVRRESA-N 1 0 310.781 3.392 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@H+](CC3CC3)CC3CCC3)c2c1 ZINC000794710466 661100825 /nfs/dbraw/zinc/10/08/25/661100825.db2.gz LHVSEALBCCIAIM-UHFFFAOYSA-N 1 0 314.389 3.414 20 5 DGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1([NH+](C)C)CCC1 ZINC000097927876 655608338 /nfs/dbraw/zinc/60/83/38/655608338.db2.gz KRHKJMQJCZRYRK-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933873029 655736845 /nfs/dbraw/zinc/73/68/45/655736845.db2.gz ZXORCORLDHBIIH-MRXNPFEDSA-N 1 0 320.389 3.185 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H](C)CC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000715915082 661215872 /nfs/dbraw/zinc/21/58/72/661215872.db2.gz FWTREDACLJPTMT-CZUORRHYSA-N 1 0 322.405 3.425 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000929230959 661289906 /nfs/dbraw/zinc/28/99/06/661289906.db2.gz DVODFJIJSMEWOA-CQSZACIVSA-N 1 0 305.378 3.023 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172575991 659345369 /nfs/dbraw/zinc/34/53/69/659345369.db2.gz ZIAGSFKHEAHMMJ-INIZCTEOSA-N 1 0 321.396 3.184 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC000194416157 659742523 /nfs/dbraw/zinc/74/25/23/659742523.db2.gz GOFQQMQOAIDPTJ-CYBMUJFWSA-N 1 0 312.369 3.423 20 5 DGBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000174864902 659891580 /nfs/dbraw/zinc/89/15/80/659891580.db2.gz RNWROQBXATXNIQ-LBPRGKRZSA-N 1 0 311.813 3.022 20 5 DGBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000930213982 661378757 /nfs/dbraw/zinc/37/87/57/661378757.db2.gz VDZKODVGNBYPLJ-CYBMUJFWSA-N 1 0 313.195 3.157 20 5 DGBDRO Cc1cn(C)nc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930637277 661417696 /nfs/dbraw/zinc/41/76/96/661417696.db2.gz KUZDAXVNGODEHL-HNNXBMFYSA-N 1 0 314.389 3.016 20 5 DGBDRO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932180178 661544965 /nfs/dbraw/zinc/54/49/65/661544965.db2.gz PLAGUOKSCFQXBL-UONOGXRCSA-N 1 0 321.421 3.138 20 5 DGBDRO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932183413 661545186 /nfs/dbraw/zinc/54/51/86/661545186.db2.gz RNODTFKXSIRSRS-UKRRQHHQSA-N 1 0 319.405 3.037 20 5 DGBDRO CSCC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000932595812 661584375 /nfs/dbraw/zinc/58/43/75/661584375.db2.gz ZJSKFIQYBMGZQS-UHFFFAOYSA-N 1 0 310.419 3.049 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC000933078652 661616563 /nfs/dbraw/zinc/61/65/63/661616563.db2.gz XUINOBUQQRCCLA-QGZVFWFLSA-N 1 0 318.417 3.276 20 5 DGBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000934112064 661680886 /nfs/dbraw/zinc/68/08/86/661680886.db2.gz QKZSVJBBYULFOP-QWHCGFSZSA-N 1 0 318.295 3.223 20 5 DGBDRO Cc1c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cccc1[N+](=O)[O-] ZINC000934336357 661698520 /nfs/dbraw/zinc/69/85/20/661698520.db2.gz ZVFQLMYRSHFXFU-ZDUSSCGKSA-N 1 0 317.414 3.424 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H]2CCOC23CCCC3)cc1 ZINC000934382627 661703195 /nfs/dbraw/zinc/70/31/95/661703195.db2.gz YNRFHPZDQFJCSH-INIZCTEOSA-N 1 0 320.389 3.055 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934834752 661739162 /nfs/dbraw/zinc/73/91/62/661739162.db2.gz RXVDLPIPQFGGJF-HIFRSBDPSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1F ZINC000934838237 661739864 /nfs/dbraw/zinc/73/98/64/661739864.db2.gz NXSAFSQYEXJNDO-CABCVRRESA-N 1 0 322.380 3.373 20 5 DGBDRO CC1(C)C[NH2+]CC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001576480647 1191829524 /nfs/dbraw/zinc/82/95/24/1191829524.db2.gz MNIDZYDNBYUTLN-LBPRGKRZSA-N 1 0 314.389 3.333 20 5 DGBDRO C[NH2+]Cc1cccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001578740189 1191953864 /nfs/dbraw/zinc/95/38/64/1191953864.db2.gz GTOFCPDVNZTMIZ-UHFFFAOYSA-N 1 0 313.357 3.183 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCOCC3CC3)o2)c1 ZINC001620785838 1191956924 /nfs/dbraw/zinc/95/69/24/1191956924.db2.gz PGLTZKCALNGIRE-UHFFFAOYSA-N 1 0 316.357 3.371 20 5 DGBDRO COc1cc(NCCC2CC[NH2+]CC2)c(Cl)cc1[N+](=O)[O-] ZINC001579166581 1191968531 /nfs/dbraw/zinc/96/85/31/1191968531.db2.gz LIZXQOADJWLSKS-UHFFFAOYSA-N 1 0 313.785 3.058 20 5 DGBDRO Cc1cc(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c([N+](=O)[O-])cc1C(F)(F)F ZINC001579637991 1191983636 /nfs/dbraw/zinc/98/36/36/1191983636.db2.gz MEMSMJMKFWVUBL-DVVUODLYSA-N 1 0 315.295 3.227 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@H]1CCC[NH2+]C1 ZINC001580874628 1192043546 /nfs/dbraw/zinc/04/35/46/1192043546.db2.gz GMOUZAJGXMOTIP-VIFPVBQESA-N 1 0 303.284 3.025 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC001580874940 1192043616 /nfs/dbraw/zinc/04/36/16/1192043616.db2.gz PTILCPOJRVQPPE-TZMCWYRMSA-N 1 0 307.369 3.092 20 5 DGBDRO CCCn1cncc1C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC001620863123 1192474719 /nfs/dbraw/zinc/47/47/19/1192474719.db2.gz BDMFCZUWTMLWCD-MRXNPFEDSA-N 1 0 302.378 3.442 20 5 DGBDRO Cc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cnc1Cl ZINC001620888231 1192554723 /nfs/dbraw/zinc/55/47/23/1192554723.db2.gz ROCWLDXJGATPEG-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO Cc1cc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C)n1 ZINC001597956023 1192756340 /nfs/dbraw/zinc/75/63/40/1192756340.db2.gz KDXHLBVMCNIJMT-UHFFFAOYSA-N 1 0 319.748 3.190 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1noc2cc(Br)ccc21 ZINC001226313433 1177031181 /nfs/dbraw/zinc/03/11/81/1177031181.db2.gz DRWSPWCNWAJWBL-SECBINFHSA-N 1 0 314.203 3.064 20 5 DGBDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000226099190 1177579951 /nfs/dbraw/zinc/57/99/51/1177579951.db2.gz RWKXDLCOWSAMKM-LBPRGKRZSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC001333347624 1178592551 /nfs/dbraw/zinc/59/25/51/1178592551.db2.gz ZQSNOTOLTWUPLM-HUUCEWRRSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C23CCC(CC2)[NH2+]3)n1 ZINC001334780169 1178796213 /nfs/dbraw/zinc/79/62/13/1178796213.db2.gz UKMGRNXZQQMGFD-UHFFFAOYSA-N 1 0 314.345 3.003 20 5 DGBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001335335329 1178897916 /nfs/dbraw/zinc/89/79/16/1178897916.db2.gz DYHHKLRZHOXXCK-IAGOWNOFSA-N 1 0 315.373 3.010 20 5 DGBDRO C[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC001335839658 1178962652 /nfs/dbraw/zinc/96/26/52/1178962652.db2.gz WLBIBMQTWYYIPO-DOLQZWNJSA-N 1 0 300.280 3.428 20 5 DGBDRO CC[C@H]1[NH2+]CC[C@H]1c1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001345670354 1179591801 /nfs/dbraw/zinc/59/18/01/1179591801.db2.gz TUEXZPMISKBQMW-DGCLKSJQSA-N 1 0 316.361 3.117 20 5 DGBDRO COc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC001348110905 1179829315 /nfs/dbraw/zinc/82/93/15/1179829315.db2.gz PVJWGAOTCRKKFV-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC2(CC2(F)F)C1 ZINC001350161045 1180027953 /nfs/dbraw/zinc/02/79/53/1180027953.db2.gz SEQVXMYMKVXLRE-NAUIOFCNSA-N 1 0 312.316 3.442 20 5 DGBDRO CC[C@H]([NH2+]CCc1ccc(OC)nc1)c1cccc([N+](=O)[O-])c1 ZINC001351354806 1180203604 /nfs/dbraw/zinc/20/36/04/1180203604.db2.gz ZYBXAFIUKVJBEV-INIZCTEOSA-N 1 0 315.373 3.282 20 5 DGBDRO C[C@H]1CCC[C@@](CNc2ncc([N+](=O)[O-])cc2F)([NH+](C)C)C1 ZINC001458120968 1182498531 /nfs/dbraw/zinc/49/85/31/1182498531.db2.gz LQZKJBPNFVHCBV-XHDPSFHLSA-N 1 0 310.373 3.051 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2NCc1nc2c([nH]1)CCCC2 ZINC001458644770 1182546338 /nfs/dbraw/zinc/54/63/38/1182546338.db2.gz SLKHFWZCQSDYJF-UHFFFAOYSA-N 1 0 323.356 3.357 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCc2ccccc2CC1 ZINC001459505720 1182590389 /nfs/dbraw/zinc/59/03/89/1182590389.db2.gz DEGJFFSJCRHLNX-UHFFFAOYSA-N 1 0 300.333 3.335 20 5 DGBDRO COc1ccc(C[N@@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001460858988 1182732552 /nfs/dbraw/zinc/73/25/52/1182732552.db2.gz NACMPSGUQFQITP-JTOWHCCKSA-N 1 0 316.401 3.471 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001460957399 1182745924 /nfs/dbraw/zinc/74/59/24/1182745924.db2.gz ZQEHLDGJGZMQEN-DLBZAZTESA-N 1 0 320.389 3.007 20 5 DGBDRO COc1ccc(C[NH2+]Cc2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC001461174889 1182778015 /nfs/dbraw/zinc/77/80/15/1182778015.db2.gz OVYFWRLJBBZNJJ-UHFFFAOYSA-N 1 0 323.352 3.441 20 5 DGBDRO C[N@H+](CCc1ccc(F)cc1)CCc1cccc([N+](=O)[O-])c1 ZINC001462144206 1182914321 /nfs/dbraw/zinc/91/43/21/1182914321.db2.gz BOQMLZGOBPMXAE-UHFFFAOYSA-N 1 0 302.349 3.451 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC001472675044 1183664740 /nfs/dbraw/zinc/66/47/40/1183664740.db2.gz KDDOHAXPEJGUPG-CQSZACIVSA-N 1 0 306.410 3.365 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC001472813346 1183685041 /nfs/dbraw/zinc/68/50/41/1183685041.db2.gz RZVCRGBZFUBGOD-CVEARBPZSA-N 1 0 319.405 3.328 20 5 DGBDRO Cc1ccc(N2CCC3(CC2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC001472849525 1183690638 /nfs/dbraw/zinc/69/06/38/1183690638.db2.gz GLHMPDZHIKBHQV-UHFFFAOYSA-N 1 0 303.406 3.215 20 5 DGBDRO Cc1cc(N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001472883938 1183695883 /nfs/dbraw/zinc/69/58/83/1183695883.db2.gz LOSVSXWNWHJANX-UHFFFAOYSA-N 1 0 317.311 3.110 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001473393583 1183751869 /nfs/dbraw/zinc/75/18/69/1183751869.db2.gz WIYUPNLETDPXIW-CQSZACIVSA-N 1 0 322.405 3.350 20 5 DGBDRO C[N@@H+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC001473487103 1183762293 /nfs/dbraw/zinc/76/22/93/1183762293.db2.gz ZNWWWKCCGSTKDS-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO CC(C)(C)C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC001473542310 1183771456 /nfs/dbraw/zinc/77/14/56/1183771456.db2.gz QKZKKGSIJXGKKS-CYBMUJFWSA-N 1 0 308.426 3.328 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001474257621 1183890469 /nfs/dbraw/zinc/89/04/69/1183890469.db2.gz QCRIHMWCEALPJY-VXXVJXPCSA-N 1 0 304.390 3.403 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC001474401062 1183915901 /nfs/dbraw/zinc/91/59/01/1183915901.db2.gz DJFZKGJMHRPEEF-YPMHNXCESA-N 1 0 308.378 3.320 20 5 DGBDRO Cc1cccc2[nH]c(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cc21 ZINC001474505865 1183932936 /nfs/dbraw/zinc/93/29/36/1183932936.db2.gz GPRVMWBQLSNPLS-UHFFFAOYSA-N 1 0 324.384 3.350 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001520250632 1186927275 /nfs/dbraw/zinc/92/72/75/1186927275.db2.gz LXGIJUCYPJHJFH-CYBMUJFWSA-N 1 0 322.409 3.145 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1nc(C)ccc1[N+](=O)[O-])CC(C)C ZINC001559062134 1189166950 /nfs/dbraw/zinc/16/69/50/1189166950.db2.gz MSXRADAUJCDUHJ-CQSZACIVSA-N 1 0 308.426 3.467 20 5 DGBDRO Cc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC001559118480 1189172720 /nfs/dbraw/zinc/17/27/20/1189172720.db2.gz IGCLEPVMKKDCNB-CYBMUJFWSA-N 1 0 309.385 3.353 20 5 DGBDRO CCOc1cc(N2CC[NH+](C(C)(C)CC)CC2)ccc1[N+](=O)[O-] ZINC001559225137 1189182811 /nfs/dbraw/zinc/18/28/11/1189182811.db2.gz QQLLUNXKGOPCQZ-UHFFFAOYSA-N 1 0 321.421 3.304 20 5 DGBDRO C[N@@H+]1CCCC[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001559237077 1189184484 /nfs/dbraw/zinc/18/44/84/1189184484.db2.gz BQYLFKSUFYKQKC-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CCCN(CC[NH+](CC)CC)Cc1cccc([N+](=O)[O-])c1C ZINC001559733358 1189236498 /nfs/dbraw/zinc/23/64/98/1189236498.db2.gz KTROEUOJQMFFRG-UHFFFAOYSA-N 1 0 307.438 3.457 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC001559926490 1189257648 /nfs/dbraw/zinc/25/76/48/1189257648.db2.gz RNPCGPFMYMUCMV-MRXNPFEDSA-N 1 0 322.430 3.191 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001559937230 1189258965 /nfs/dbraw/zinc/25/89/65/1189258965.db2.gz XGFHITCGFAENCY-GJZGRUSLSA-N 1 0 320.437 3.248 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCCC[NH+]1CCC(C)CC1 ZINC001560251607 1189299653 /nfs/dbraw/zinc/29/96/53/1189299653.db2.gz VKBHCZQTULSSCK-UHFFFAOYSA-N 1 0 319.449 3.423 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC001560317466 1189310203 /nfs/dbraw/zinc/31/02/03/1189310203.db2.gz SHZFUSMZLOYJSN-GFCCVEGCSA-N 1 0 322.405 3.422 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC001560369128 1189319221 /nfs/dbraw/zinc/31/92/21/1189319221.db2.gz NYGIFRBKEPYEAM-IRXDYDNUSA-N 1 0 306.406 3.242 20 5 DGBDRO C[C@@H]1Cc2cc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)ccc2O1 ZINC001560426616 1189327238 /nfs/dbraw/zinc/32/72/38/1189327238.db2.gz SRADXDVOMFNUDL-CYBMUJFWSA-N 1 0 312.369 3.251 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]C/C=C/CO)o1 ZINC001560528180 1189336832 /nfs/dbraw/zinc/33/68/32/1189336832.db2.gz KRNSPEVFNCKSMA-OWOJBTEDSA-N 1 0 322.748 3.146 20 5 DGBDRO CO[C@@](C)(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC001560639347 1189354374 /nfs/dbraw/zinc/35/43/74/1189354374.db2.gz UUIPVEGSDFRLFD-KRWDZBQOSA-N 1 0 304.390 3.374 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC001560706636 1189363160 /nfs/dbraw/zinc/36/31/60/1189363160.db2.gz OISBUBGGGFGOIX-NSHDSACASA-N 1 0 308.378 3.177 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)CC1CCC1 ZINC001560954648 1189410695 /nfs/dbraw/zinc/41/06/95/1189410695.db2.gz YAGRMYYOYRTLGE-CHWSQXEVSA-N 1 0 319.405 3.480 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001575967106 1191520985 /nfs/dbraw/zinc/52/09/85/1191520985.db2.gz VAWZUILTZOWFLR-GOEBONIOSA-N 1 0 319.449 3.284 20 5 DGBDRO CCC(CC)[C@@H](CNCc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC001620714459 1193794284 /nfs/dbraw/zinc/79/42/84/1193794284.db2.gz QLFKXDNUHGOYSN-QGZVFWFLSA-N 1 0 307.438 3.359 20 5 DGBDRO CC(C)C1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001621214447 1193817487 /nfs/dbraw/zinc/81/74/87/1193817487.db2.gz UUDWWVLIOKSRTF-UHFFFAOYSA-N 1 0 303.406 3.153 20 5 DGBDRO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC001630156271 1194272072 /nfs/dbraw/zinc/27/20/72/1194272072.db2.gz HNZQRGLQJRKVEY-ZDUSSCGKSA-N 1 0 321.421 3.058 20 5 DGBDRO CC(C)Oc1nc(NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001639200796 1194755338 /nfs/dbraw/zinc/75/53/38/1194755338.db2.gz QMGNAQWNHWGMIM-UHFFFAOYSA-N 1 0 322.409 3.065 20 5 DGBDRO COc1cc(NCC[N@@H+]2CCC[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC001639551445 1194771491 /nfs/dbraw/zinc/77/14/91/1194771491.db2.gz PARIKOBZNHAPJK-SNVBAGLBSA-N 1 0 313.785 3.153 20 5 DGBDRO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[NH2+]1 ZINC001640326534 1194806734 /nfs/dbraw/zinc/80/67/34/1194806734.db2.gz NDJPZFZXGYEMPS-SNVBAGLBSA-N 1 0 317.311 3.192 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001640468361 1194815130 /nfs/dbraw/zinc/81/51/30/1194815130.db2.gz AGCHUABXRKPBPM-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[N@@H+]1CCCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001642223694 1194894455 /nfs/dbraw/zinc/89/44/55/1194894455.db2.gz GNCAZPOCQNLEAL-UHFFFAOYSA-N 1 0 318.204 3.434 20 5 DGBDRO C[NH+](C)CCN(Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001642401012 1194907661 /nfs/dbraw/zinc/90/76/61/1194907661.db2.gz NQJVWZFHPKMWQL-UHFFFAOYSA-N 1 0 317.364 3.302 20 5 DGBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC001642609090 1194922817 /nfs/dbraw/zinc/92/28/17/1194922817.db2.gz FMMNONUIZJZZKV-UHFFFAOYSA-N 1 0 323.349 3.109 20 5 DGBDRO C[N@@H+]1CC[C@@H]2CN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC001642709572 1194930728 /nfs/dbraw/zinc/93/07/28/1194930728.db2.gz CBFUSSKEKVYHGC-KCJUWKMLSA-N 1 0 316.188 3.042 20 5 DGBDRO Cc1ccc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)c([N+](=O)[O-])c1 ZINC001643048923 1194963862 /nfs/dbraw/zinc/96/38/62/1194963862.db2.gz BRVSNAMQDLTYDN-UHFFFAOYSA-N 1 0 323.396 3.225 20 5 DGBDRO C[NH2+]C1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCCCC1 ZINC001643102335 1194991289 /nfs/dbraw/zinc/99/12/89/1194991289.db2.gz OCZSGKBYPOJASG-UHFFFAOYSA-N 1 0 318.421 3.203 20 5 DGBDRO C[N@@H+]1CC[C@@H]1CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001643213717 1195006047 /nfs/dbraw/zinc/00/60/47/1195006047.db2.gz KBBHNHABZCLRGL-SSDOTTSWSA-N 1 0 323.702 3.383 20 5 DGBDRO C[N@@H+]1C[C@@]2(C)CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC001644042201 1195076200 /nfs/dbraw/zinc/07/62/00/1195076200.db2.gz MHFNMUGYAKKUEE-IYBDPMFKSA-N 1 0 323.824 3.022 20 5 DGBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001644692144 1195127232 /nfs/dbraw/zinc/12/72/32/1195127232.db2.gz ZFEMVRAXJDTSDE-WBVHZDCISA-N 1 0 322.405 3.109 20 5 DGBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001645635104 1195195528 /nfs/dbraw/zinc/19/55/28/1195195528.db2.gz MOWOQVRLBJYTLK-CYBMUJFWSA-N 1 0 311.813 3.164 20 5 DGBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC(C)(C)CC(C)(C)C1 ZINC001647475111 1195248628 /nfs/dbraw/zinc/24/86/28/1195248628.db2.gz UQIWAKUSUUTTOH-UHFFFAOYSA-N 1 0 308.426 3.328 20 5 DGBDRO C[NH+]1C[C@@]2(C)CN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@]2(C)C1 ZINC001647929573 1195266174 /nfs/dbraw/zinc/26/61/74/1195266174.db2.gz IUAUGWFOPUTPBG-HOTGVXAUSA-N 1 0 323.824 3.022 20 5 DGBDRO Cc1c(C[NH2+]C[C@](C)(O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC001650946752 1195398776 /nfs/dbraw/zinc/39/87/76/1195398776.db2.gz HRMVCOPWSOBMCI-KRWDZBQOSA-N 1 0 306.406 3.324 20 5 DGBDRO CC[C@H](CNc1ccc([N+](=O)[O-])c(OC(C)C)n1)[NH+]1CCCC1 ZINC001651368065 1195451267 /nfs/dbraw/zinc/45/12/67/1195451267.db2.gz XOKKZEQJGHXQJR-CYBMUJFWSA-N 1 0 322.409 3.063 20 5 DGBDRO CN(CC(C)(C)C[NH+](C)C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC001651494790 1195470882 /nfs/dbraw/zinc/47/08/82/1195470882.db2.gz APGTWRZZNULZNX-UHFFFAOYSA-N 1 0 316.405 3.167 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccccc1[N+](=O)[O-] ZINC001651509751 1195472590 /nfs/dbraw/zinc/47/25/90/1195472590.db2.gz PRDRWYYKKYJHLL-RHSMWYFYSA-N 1 0 303.406 3.294 20 5 DGBDRO COc1ccc(F)cc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001651556365 1195479255 /nfs/dbraw/zinc/47/92/55/1195479255.db2.gz CFEAWEWWDLXRIQ-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccc([N+](=O)[O-])cc1 ZINC001651552234 1195479409 /nfs/dbraw/zinc/47/94/09/1195479409.db2.gz XQGINDBIGIBJHQ-SNVBAGLBSA-N 1 0 313.313 3.292 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC001651552088 1195479418 /nfs/dbraw/zinc/47/94/18/1195479418.db2.gz OVLLKXXAKWTTAP-SNVBAGLBSA-N 1 0 312.329 3.028 20 5 DGBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001651698921 1195499352 /nfs/dbraw/zinc/49/93/52/1195499352.db2.gz FBJJEHGWIUCJQO-CZUORRHYSA-N 1 0 319.405 3.037 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1(C)C ZINC001651972609 1195530222 /nfs/dbraw/zinc/53/02/22/1195530222.db2.gz HKVRLHSAJGFIDO-CABCVRRESA-N 1 0 314.389 3.284 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCSCC[NH+]2CCCCC2)cc1 ZINC001652122858 1195550018 /nfs/dbraw/zinc/55/00/18/1195550018.db2.gz BIMFVDGSCRKSPC-UHFFFAOYSA-N 1 0 310.419 3.193 20 5 DGBDRO CCC[C@@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001652159683 1195554910 /nfs/dbraw/zinc/55/49/10/1195554910.db2.gz NJBHJUOIIUCRBG-LLVKDONJSA-N 1 0 317.311 3.192 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c1 ZINC001652234061 1195566646 /nfs/dbraw/zinc/56/66/46/1195566646.db2.gz MXOQNKVTZXTTSX-AWEZNQCLSA-N 1 0 303.406 3.356 20 5 DGBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1C ZINC001652248934 1195568962 /nfs/dbraw/zinc/56/89/62/1195568962.db2.gz XSJRQEBJLHADJX-GZMMTYOYSA-N 1 0 303.284 3.118 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC001652484526 1195605644 /nfs/dbraw/zinc/60/56/44/1195605644.db2.gz WNVDHNGXDLQIPA-KRWDZBQOSA-N 1 0 316.405 3.429 20 5 DGBDRO C[C@@H](Cc1cccs1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001652665623 1195634201 /nfs/dbraw/zinc/63/42/01/1195634201.db2.gz OGUDSUKGTGVDJC-LRDDRELGSA-N 1 0 320.414 3.253 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC001653366492 1195715039 /nfs/dbraw/zinc/71/50/39/1195715039.db2.gz IVKRETKLIRFZCA-LALPHHSUSA-N 1 0 320.389 3.296 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1OC ZINC001653518269 1195730898 /nfs/dbraw/zinc/73/08/98/1195730898.db2.gz JADDWFZICMSPMP-HUUCEWRRSA-N 1 0 310.369 3.417 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC001653646416 1195741376 /nfs/dbraw/zinc/74/13/76/1195741376.db2.gz SUNLBMOPLMTCJR-CVEARBPZSA-N 1 0 322.405 3.285 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001653862456 1195755095 /nfs/dbraw/zinc/75/50/95/1195755095.db2.gz HRUGWEYPDONMHV-CYBMUJFWSA-N 1 0 322.405 3.350 20 5 DGBDRO CC(C)(C)C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001653915555 1195760064 /nfs/dbraw/zinc/76/00/64/1195760064.db2.gz LGYOGMLYSUTHNK-CYBMUJFWSA-N 1 0 319.405 3.291 20 5 DGBDRO C[C@@H](CC[NH+](C)C)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001655057935 1195870471 /nfs/dbraw/zinc/87/04/71/1195870471.db2.gz DCYYWMLASGIETB-VIFPVBQESA-N 1 0 305.300 3.366 20 5 DGBDRO CC(C)Oc1nc(N[C@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001655099101 1195876530 /nfs/dbraw/zinc/87/65/30/1195876530.db2.gz XMRBXZFOBGDAPC-QWHCGFSZSA-N 1 0 322.409 3.062 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@@H+](C)C1CCCC1 ZINC001655579532 1195935277 /nfs/dbraw/zinc/93/52/77/1195935277.db2.gz CLHHPWZDLRKNQC-UHFFFAOYSA-N 1 0 305.422 3.176 20 5 DGBDRO C[C@H]1Cc2n[nH]cc2CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001655589913 1195936400 /nfs/dbraw/zinc/93/64/00/1195936400.db2.gz OITOEZNXHQUELE-JTQLQIEISA-N 1 0 320.780 3.166 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)C2(C)CC2)cccc1[N+](=O)[O-] ZINC001656376982 1196033995 /nfs/dbraw/zinc/03/39/95/1196033995.db2.gz JQBIAQRQEJKIOF-GFCCVEGCSA-N 1 0 305.378 3.010 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001656385162 1196034683 /nfs/dbraw/zinc/03/46/83/1196034683.db2.gz ZLMXRIKTLXTDCU-GFCCVEGCSA-N 1 0 316.361 3.409 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001656506024 1196045441 /nfs/dbraw/zinc/04/54/41/1196045441.db2.gz GGYXDVXLDNHSIA-IAGOWNOFSA-N 1 0 304.390 3.171 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCOCC12CCCC2 ZINC001656544925 1196048549 /nfs/dbraw/zinc/04/85/49/1196048549.db2.gz LCRRUWSBAHRIJO-HNNXBMFYSA-N 1 0 308.353 3.173 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001657322882 1196130435 /nfs/dbraw/zinc/13/04/35/1196130435.db2.gz NRAPLZKOMZAXMQ-PBHICJAKSA-N 1 0 322.405 3.144 20 5 DGBDRO CN(C)c1cc[nH+]c(NCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001657530238 1196152460 /nfs/dbraw/zinc/15/24/60/1196152460.db2.gz WLKZLKHOVBTOMQ-UHFFFAOYSA-N 1 0 306.753 3.321 20 5 DGBDRO Cc1ccc(C[NH2+]CCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC001657780114 1196178345 /nfs/dbraw/zinc/17/83/45/1196178345.db2.gz UQMQJPQDLDWTPU-UHFFFAOYSA-N 1 0 312.369 3.170 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1O ZINC001657879550 1196189764 /nfs/dbraw/zinc/18/97/64/1196189764.db2.gz MJMNJVVDWBXGPF-AVGNSLFASA-N 1 0 322.405 3.471 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc3[nH]ccc3c2)cc1 ZINC001657882064 1196190807 /nfs/dbraw/zinc/19/08/07/1196190807.db2.gz HHBXCGREYOBABV-UHFFFAOYSA-N 1 0 309.369 3.451 20 5 DGBDRO CC(C)[C@@H]1CCCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001657971796 1196198121 /nfs/dbraw/zinc/19/81/21/1196198121.db2.gz KIQMXQRSYDODCE-HNNXBMFYSA-N 1 0 319.405 3.094 20 5 DGBDRO CC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001658034266 1196205792 /nfs/dbraw/zinc/20/57/92/1196205792.db2.gz BUPPTRMDWCKFKJ-ZDUSSCGKSA-N 1 0 308.378 3.052 20 5 DGBDRO COc1c(O)ccc(C[NH+]2CCC(C(C)C)CC2)c1[N+](=O)[O-] ZINC001658231461 1196228790 /nfs/dbraw/zinc/22/87/90/1196228790.db2.gz LDMATDXFSASSQA-UHFFFAOYSA-N 1 0 308.378 3.177 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC001658292705 1196236658 /nfs/dbraw/zinc/23/66/58/1196236658.db2.gz RHBBIAQGDGGXTR-LSDHHAIUSA-N 1 0 308.426 3.294 20 5 DGBDRO C[N@H+](CCc1cccc(F)c1)CCc1cccc([N+](=O)[O-])c1 ZINC001658392645 1196250051 /nfs/dbraw/zinc/25/00/51/1196250051.db2.gz NBXWQRKKNKRJKT-UHFFFAOYSA-N 1 0 302.349 3.451 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC001658730091 1196292863 /nfs/dbraw/zinc/29/28/63/1196292863.db2.gz ARSUTBSKPUBORM-ROCHPLJESA-N 1 0 304.390 3.091 20 5 DGBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001658780500 1196299308 /nfs/dbraw/zinc/29/93/08/1196299308.db2.gz SMKJTHIPEYSZFT-ISESHHHUSA-N 1 0 320.389 3.175 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001658997405 1196329164 /nfs/dbraw/zinc/32/91/64/1196329164.db2.gz FLZUGUIRZGRBTB-CQSZACIVSA-N 1 0 320.389 3.104 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC001659104073 1196344947 /nfs/dbraw/zinc/34/49/47/1196344947.db2.gz KUXHZMKXZZOJFF-VXGBXAGGSA-N 1 0 308.378 3.320 20 5 DGBDRO CO[C@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC001659218062 1196359594 /nfs/dbraw/zinc/35/95/94/1196359594.db2.gz IZXWGSWEXHZNLD-AWEZNQCLSA-N 1 0 314.813 3.441 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC001660695335 1196512882 /nfs/dbraw/zinc/51/28/82/1196512882.db2.gz IXGITRAZEGIUNT-DOTOQJQBSA-N 1 0 316.332 3.199 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOc1ccccc1 ZINC001660759821 1196520215 /nfs/dbraw/zinc/52/02/15/1196520215.db2.gz SVBKQCSRZVBKHX-UHFFFAOYSA-N 1 0 300.358 3.380 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](CO)CCC(C)(C)C ZINC001662307896 1196705257 /nfs/dbraw/zinc/70/52/57/1196705257.db2.gz BGNSFRIEOXZJTI-AWEZNQCLSA-N 1 0 308.422 3.488 20 5 DGBDRO CC[C@@H](C)CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001665199503 1197108233 /nfs/dbraw/zinc/10/82/33/1197108233.db2.gz QZZLHHNFZSOKDR-OLZOCXBDSA-N 1 0 307.394 3.338 20 5 DGBDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001665217819 1197110239 /nfs/dbraw/zinc/11/02/39/1197110239.db2.gz LTHXKLCXHADLMP-ZDUSSCGKSA-N 1 0 311.813 3.211 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+]CCC(F)F)cc1Br ZINC001665907316 1197214958 /nfs/dbraw/zinc/21/49/58/1197214958.db2.gz RDPCNOUGPUNEQL-UHFFFAOYSA-N 1 0 315.139 3.164 20 5 DGBDRO COC[C@@H](O)C[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC000092256257 1198550289 /nfs/dbraw/zinc/55/02/89/1198550289.db2.gz WWMPYUBZTKPIHN-KRWDZBQOSA-N 1 0 309.409 3.432 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001169718694 1081638595 /nfs/dbraw/zinc/63/85/95/1081638595.db2.gz SBNJACIWGBKSPD-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001167473050 1082202995 /nfs/dbraw/zinc/20/29/95/1082202995.db2.gz FNKPFJLPGLXPEA-GJZGRUSLSA-N 1 0 310.369 3.369 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc(C)ccn2)c([N+](=O)[O-])c1 ZINC001170298424 1082338187 /nfs/dbraw/zinc/33/81/87/1082338187.db2.gz LPDRCBULDDRLLV-ZDUSSCGKSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cncc(C)c2)c([N+](=O)[O-])c1 ZINC001170300390 1082338399 /nfs/dbraw/zinc/33/83/99/1082338399.db2.gz ZQIWUIKWYOAGNW-ZDUSSCGKSA-N 1 0 315.373 3.028 20 5 DGBDRO CC[C@H](C)[NH+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC001170315503 1082345214 /nfs/dbraw/zinc/34/52/14/1082345214.db2.gz MSAFINIBYBADEK-LSDHHAIUSA-N 1 0 305.422 3.380 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC23CCCC3)c([N+](=O)[O-])c1 ZINC001170317887 1082345323 /nfs/dbraw/zinc/34/53/23/1082345323.db2.gz LPMFISFPNHMRBL-LRDDRELGSA-N 1 0 304.390 3.457 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170328336 1082347418 /nfs/dbraw/zinc/34/74/18/1082347418.db2.gz JXVADMSFXJSHOF-AEGPPILISA-N 1 0 304.390 3.266 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001157942166 1082566410 /nfs/dbraw/zinc/56/64/10/1082566410.db2.gz QBLWFECCPXUQQF-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1c(Cl)cncc1[N+](=O)[O-] ZINC001167625669 1082618840 /nfs/dbraw/zinc/61/88/40/1082618840.db2.gz XZVBGYHOQZIFJF-UHFFFAOYSA-N 1 0 312.801 3.128 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c(Cl)cc1Cl ZINC001217972650 1082975843 /nfs/dbraw/zinc/97/58/43/1082975843.db2.gz QJVZBQOUULMEJS-JOYOIKCWSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001218028002 1083011915 /nfs/dbraw/zinc/01/19/15/1083011915.db2.gz SCQPCIDBDZWCAJ-PRHODGIISA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@@H]1CC[C@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218396793 1083167798 /nfs/dbraw/zinc/16/77/98/1083167798.db2.gz ATRCXQXVBJIHDO-APPZFPTMSA-N 1 0 305.161 3.421 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1(C)C ZINC001186793101 1084703887 /nfs/dbraw/zinc/70/38/87/1084703887.db2.gz XQEMDZKTUOHEPV-HZPDHXFCSA-N 1 0 314.389 3.284 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccc(Br)cc2n1 ZINC001228070812 1086798304 /nfs/dbraw/zinc/79/83/04/1086798304.db2.gz LSNCKMLGFFAEJK-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C2(C3CC3)CC2)ccc1Br ZINC000697360592 1087009193 /nfs/dbraw/zinc/00/91/93/1087009193.db2.gz QMFWQZZIAOPKDS-UHFFFAOYSA-N 1 0 311.179 3.390 20 5 DGBDRO Cc1cnc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001158265036 1087749169 /nfs/dbraw/zinc/74/91/69/1087749169.db2.gz FGUUTZRABQEUMP-MLGOLLRUSA-N 1 0 306.410 3.254 20 5 DGBDRO Clc1ccc2ccc3ccc(N4CC[N@@H+]5CC[C@H]5C4)nc3c2n1 ZINC001158432298 1087834311 /nfs/dbraw/zinc/83/43/11/1087834311.db2.gz JANBMGKBFGFUSO-AWEZNQCLSA-N 1 0 324.815 3.331 20 5 DGBDRO CC(C)[N@@H+]1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)C[C@@H]1C ZINC001158494935 1087871104 /nfs/dbraw/zinc/87/11/04/1087871104.db2.gz STXANUIEXLHYMP-ZDUSSCGKSA-N 1 0 314.389 3.062 20 5 DGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ncc(F)cc1[N+](=O)[O-] ZINC001158728575 1087996578 /nfs/dbraw/zinc/99/65/78/1087996578.db2.gz CLZUUIZHEJNLPO-ZDUSSCGKSA-N 1 0 316.336 3.369 20 5 DGBDRO [NH3+]Cc1ccn(-c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)c1 ZINC001158766549 1088016167 /nfs/dbraw/zinc/01/61/67/1088016167.db2.gz HRYYVOMPKZNYLQ-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO Cc1cnc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c([N+](=O)[O-])c1 ZINC001159948295 1088565866 /nfs/dbraw/zinc/56/58/66/1088565866.db2.gz UGDWNPLNJXRCDZ-GFCCVEGCSA-N 1 0 322.368 3.058 20 5 DGBDRO [NH3+]CCc1cc2ccccc2n1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001160123456 1088649886 /nfs/dbraw/zinc/64/98/86/1088649886.db2.gz IZXNLLMRXYUPKP-UHFFFAOYSA-N 1 0 316.748 3.088 20 5 DGBDRO O=[N+]([O-])c1ccccc1Nc1cc(F)ccc1O[C@@H]1CC[NH2+]C1 ZINC001160141644 1088666214 /nfs/dbraw/zinc/66/62/14/1088666214.db2.gz PPUOANPGXNABOA-GFCCVEGCSA-N 1 0 317.320 3.218 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(NC[C@H]3CCCC[NH2+]3)c2c1 ZINC001160149889 1088670238 /nfs/dbraw/zinc/67/02/38/1088670238.db2.gz ACCOGESDHZEOLQ-SNVBAGLBSA-N 1 0 320.780 3.350 20 5 DGBDRO [NH3+]C1(CC2CCC2)CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001161570348 1089292490 /nfs/dbraw/zinc/29/24/90/1089292490.db2.gz ZSTCXIIZDDFXHU-UHFFFAOYSA-N 1 0 324.812 3.131 20 5 DGBDRO Cc1c(C)n(-c2ncc(C)cc2[N+](=O)[O-])c2ccc(C[NH3+])cc12 ZINC001155903399 1089296192 /nfs/dbraw/zinc/29/61/92/1089296192.db2.gz VROVUJUJQNBLAO-UHFFFAOYSA-N 1 0 310.357 3.318 20 5 DGBDRO C[NH+](C)CCOc1cc(NCCC(C)(C)C)ccc1[N+](=O)[O-] ZINC001161676180 1089340188 /nfs/dbraw/zinc/34/01/88/1089340188.db2.gz RXMZNOWLICDHEG-UHFFFAOYSA-N 1 0 309.410 3.383 20 5 DGBDRO CC(C)N(CCC[NH3+])c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001156124723 1089397499 /nfs/dbraw/zinc/39/74/99/1089397499.db2.gz TUFBCRGUNSVUDH-UHFFFAOYSA-N 1 0 322.796 3.360 20 5 DGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001156770512 1089688266 /nfs/dbraw/zinc/68/82/66/1089688266.db2.gz GQFXEEWLJCDZDF-UHFFFAOYSA-N 1 0 312.801 3.128 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001162456580 1089742078 /nfs/dbraw/zinc/74/20/78/1089742078.db2.gz JQCCMPWJYHKDOG-YPMHNXCESA-N 1 0 302.378 3.124 20 5 DGBDRO CCOc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001156929757 1089753489 /nfs/dbraw/zinc/75/34/89/1089753489.db2.gz YTYPCUHQRSEECJ-ZDUSSCGKSA-N 1 0 322.409 3.065 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(-n2c3ccccc3nc2[C@H](C)[NH3+])c1F ZINC001162777185 1089950484 /nfs/dbraw/zinc/95/04/84/1089950484.db2.gz NBVOSOGBFHASJP-JTQLQIEISA-N 1 0 314.320 3.401 20 5 DGBDRO O=[N+]([O-])c1cc(NCc2ccc3c(c2)CC[NH2+]C3)cc2cc[nH]c21 ZINC001162807557 1089965071 /nfs/dbraw/zinc/96/50/71/1089965071.db2.gz LOMAWUAELKIFDI-UHFFFAOYSA-N 1 0 322.368 3.334 20 5 DGBDRO O=[N+]([O-])c1ccc2ccc(NC3CC4(C3)CCC[NH2+]C4)nc2c1 ZINC001162981859 1090044964 /nfs/dbraw/zinc/04/49/64/1090044964.db2.gz SSCSNIDQWCFJHN-UHFFFAOYSA-N 1 0 312.373 3.087 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162984797 1090046026 /nfs/dbraw/zinc/04/60/26/1090046026.db2.gz QDUNZMNHJZFWAH-QWHCGFSZSA-N 1 0 315.295 3.310 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001163040292 1090061130 /nfs/dbraw/zinc/06/11/30/1090061130.db2.gz JGKQMIVWUPGIRL-UHFFFAOYSA-N 1 0 324.425 3.487 20 5 DGBDRO [NH3+]CC[C@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)c2ccccc21 ZINC001157738758 1090092336 /nfs/dbraw/zinc/09/23/36/1090092336.db2.gz DSVSVZIXNPQRKP-JTQLQIEISA-N 1 0 318.764 3.227 20 5 DGBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001157738974 1090092383 /nfs/dbraw/zinc/09/23/83/1090092383.db2.gz AXBOICFZLIUNPV-KOLCDFICSA-N 1 0 320.780 3.112 20 5 DGBDRO [NH3+]CC[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)c2ccccc21 ZINC001157742341 1090093169 /nfs/dbraw/zinc/09/31/69/1090093169.db2.gz BUHXUPFBQCFUBB-LLVKDONJSA-N 1 0 323.356 3.055 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc(Cl)cc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC001163360855 1090162207 /nfs/dbraw/zinc/16/22/07/1090162207.db2.gz GGINQBNTAJPDOO-JQWIXIFHSA-N 1 0 312.801 3.174 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001163480722 1090196639 /nfs/dbraw/zinc/19/66/39/1090196639.db2.gz MDORDKABAAAJRL-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO CN(CCC[NH+](C)C)c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001163600281 1090217779 /nfs/dbraw/zinc/21/77/79/1090217779.db2.gz FQHUEWBTNDNNQX-UHFFFAOYSA-N 1 0 322.796 3.184 20 5 DGBDRO Cc1c(C)n(-c2cc(C)c([N+](=O)[O-])cn2)c2ccc(C[NH3+])cc12 ZINC001163761177 1090252191 /nfs/dbraw/zinc/25/21/91/1090252191.db2.gz GWSNJIGHWFJTPY-UHFFFAOYSA-N 1 0 310.357 3.318 20 5 DGBDRO O=[N+]([O-])c1cccc(-n2c3ccccc3cc2[C@H]2CCC[NH2+]2)n1 ZINC001166650165 1090635560 /nfs/dbraw/zinc/63/55/60/1090635560.db2.gz BFXFZUZQMJINNZ-CYBMUJFWSA-N 1 0 308.341 3.358 20 5 DGBDRO O=[N+]([O-])c1ccnc(-n2c3ccccc3cc2[C@H]2CCC[NH2+]2)c1 ZINC001166650033 1090635629 /nfs/dbraw/zinc/63/56/29/1090635629.db2.gz QFWVHXGWMGKQFW-CQSZACIVSA-N 1 0 308.341 3.358 20 5 DGBDRO C[NH+](C)CCCCNc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001161731163 1090986913 /nfs/dbraw/zinc/98/69/13/1090986913.db2.gz SESBYJRUUWSRLM-UHFFFAOYSA-N 1 0 321.299 3.247 20 5 DGBDRO [NH3+]CCN(Cc1cccc2ncccc12)c1ccc([N+](=O)[O-])cc1 ZINC001205667270 1091304621 /nfs/dbraw/zinc/30/46/21/1091304621.db2.gz KGGNKPPGARLEIH-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001207449126 1091970974 /nfs/dbraw/zinc/97/09/74/1091970974.db2.gz PPVDIPQCVPCASG-HIFRSBDPSA-N 1 0 306.406 3.321 20 5 DGBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001207526094 1092007422 /nfs/dbraw/zinc/00/74/22/1092007422.db2.gz CPPKQODZILBTLE-LBPRGKRZSA-N 1 0 314.341 3.232 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+](CC(C)(C)C)CC(C)(C)C ZINC001168903282 1092429010 /nfs/dbraw/zinc/42/90/10/1092429010.db2.gz QEGBVZUVPJOAIJ-UHFFFAOYSA-N 1 0 310.442 3.494 20 5 DGBDRO Cc1ccc2c(CC[NH3+])cn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)c2c1 ZINC001168976020 1092456899 /nfs/dbraw/zinc/45/68/99/1092456899.db2.gz YGWCNLPMXNPEKY-UKRRQHHQSA-N 1 0 301.390 3.069 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2c(F)cc(Cl)cc2F)C1 ZINC001168978015 1092457228 /nfs/dbraw/zinc/45/72/28/1092457228.db2.gz NULJMASWBUKRDH-WCBMZHEXSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC001168978564 1092458584 /nfs/dbraw/zinc/45/85/84/1092458584.db2.gz SLSXJZBAGQVKGH-RKDXNWHRSA-N 1 0 319.224 3.046 20 5 DGBDRO CC(C)Oc1ccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168978366 1092458926 /nfs/dbraw/zinc/45/89/26/1092458926.db2.gz RJJRGXKNGNBXIR-HOTGVXAUSA-N 1 0 306.406 3.051 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)C1 ZINC001168982019 1092460470 /nfs/dbraw/zinc/46/04/70/1092460470.db2.gz HYJYBSRHFCGLAM-CRAIPNDOSA-N 1 0 311.385 3.284 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC001168960007 1092464634 /nfs/dbraw/zinc/46/46/34/1092464634.db2.gz YVNGNLTULQQTKV-WPRPVWTQSA-N 1 0 319.224 3.046 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC001168960004 1092464916 /nfs/dbraw/zinc/46/49/16/1092464916.db2.gz YVNGNLTULQQTKV-PSASIEDQSA-N 1 0 319.224 3.046 20 5 DGBDRO Cc1c(CC[NH3+])c2ccccc2n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968198 1092469983 /nfs/dbraw/zinc/46/99/83/1092469983.db2.gz XIWNJJLAOSXWDJ-KGLIPLIRSA-N 1 0 301.390 3.069 20 5 DGBDRO CCCCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168968911 1092470182 /nfs/dbraw/zinc/47/01/82/1092470182.db2.gz BEYAAWUOGMBCJP-HZPDHXFCSA-N 1 0 306.406 3.401 20 5 DGBDRO CCc1cc2c(cc1CC)CC([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168995680 1092477691 /nfs/dbraw/zinc/47/76/91/1092477691.db2.gz SPDVKHJZKFUHJK-ACJLOTCBSA-N 1 0 316.445 3.314 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C1 ZINC001168996941 1092479052 /nfs/dbraw/zinc/47/90/52/1092479052.db2.gz WXCFSHDHICEOAZ-HOCLYGCPSA-N 1 0 306.381 3.183 20 5 DGBDRO Cc1ccccc1CC1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997091 1092479094 /nfs/dbraw/zinc/47/90/94/1092479094.db2.gz XNWLQTIIBBODPQ-DOTOQJQBSA-N 1 0 302.418 3.353 20 5 DGBDRO COc1ccc(CC(C)(C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168997295 1092479107 /nfs/dbraw/zinc/47/91/07/1092479107.db2.gz YNDUTJNWYBEPFI-LSDHHAIUSA-N 1 0 306.406 3.051 20 5 DGBDRO COc1cccc(CC(C)(C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168996965 1092479671 /nfs/dbraw/zinc/47/96/71/1092479671.db2.gz AFJCROYGVBIRCL-GJZGRUSLSA-N 1 0 306.406 3.051 20 5 DGBDRO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005916 1092482844 /nfs/dbraw/zinc/48/28/44/1092482844.db2.gz DHVRFRFHCTWKBR-HYVNUMGLSA-N 1 0 320.433 3.394 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3F)no2)C1 ZINC001169004919 1092483445 /nfs/dbraw/zinc/48/34/45/1092483445.db2.gz SANKVHNDAZPJOY-RYUDHWBXSA-N 1 0 319.336 3.016 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCOc3ccc(Cl)cc32)C1 ZINC001169007988 1092486204 /nfs/dbraw/zinc/48/62/04/1092486204.db2.gz QIZFVUAGBJFODE-OSMZGAPFSA-N 1 0 310.781 3.199 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001168988392 1092491742 /nfs/dbraw/zinc/49/17/42/1092491742.db2.gz RVEZEZKAOLTFKR-RLCCDNCMSA-N 1 0 308.809 3.232 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)C1 ZINC001169027893 1092494120 /nfs/dbraw/zinc/49/41/20/1092494120.db2.gz RMZOOGJVWFYKIW-KZNAEPCWSA-N 1 0 302.418 3.387 20 5 DGBDRO COC1(c2ccccc2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037049 1092499006 /nfs/dbraw/zinc/49/90/06/1092499006.db2.gz HZOFIMLRTQUUAH-WBVHZDCISA-N 1 0 318.417 3.070 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2c3ccc(F)cc3c3c2CC[NH2+]C3)C1 ZINC001169039537 1092500584 /nfs/dbraw/zinc/50/05/84/1092500584.db2.gz QXHFIMGLJOPQMR-WCQYABFASA-N 1 0 317.364 3.044 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](OCc3ccccc3)C2)C1 ZINC001169040210 1092501460 /nfs/dbraw/zinc/50/14/60/1092501460.db2.gz YTMPUIPXTUKFAG-SQNIBIBYSA-N 1 0 318.417 3.113 20 5 DGBDRO O=[N+]([O-])c1cc(Nc2c[nH+]ccc2N2CCCCC2)ccc1O ZINC001210395705 1093153722 /nfs/dbraw/zinc/15/37/22/1093153722.db2.gz CJOIHAJHJOBHBD-UHFFFAOYSA-N 1 0 314.345 3.429 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001119981805 1094331788 /nfs/dbraw/zinc/33/17/88/1094331788.db2.gz BHDNSZCMLUHJFD-YRGRVCCFSA-N 1 0 323.824 3.415 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001120072405 1094372332 /nfs/dbraw/zinc/37/23/32/1094372332.db2.gz KBKKSSSVMJBBGB-ZNMIVQPWSA-N 1 0 303.406 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2CCC[NH2+]C[C@@H]2F)c2ccccc21 ZINC001217762084 1094491177 /nfs/dbraw/zinc/49/11/77/1094491177.db2.gz COPHNKISDIKXKF-DOTOQJQBSA-N 1 0 318.348 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2CC[C@@]23CC[NH2+]C3)c2ccccc21 ZINC001217805348 1094497392 /nfs/dbraw/zinc/49/73/92/1094497392.db2.gz IBSLBBCRLZHCMF-MSOLQXFVSA-N 1 0 312.369 3.407 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC001217930360 1094519425 /nfs/dbraw/zinc/51/94/25/1094519425.db2.gz MLYKYYHRWKCXJG-HNNXBMFYSA-N 1 0 322.311 3.262 20 5 DGBDRO O=[N+]([O-])c1ccccc1[C@@H](OC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC001217928037 1094519476 /nfs/dbraw/zinc/51/94/76/1094519476.db2.gz FIOVLEBPLFRHBA-YJBOKZPZSA-N 1 0 312.369 3.453 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217944334 1094523774 /nfs/dbraw/zinc/52/37/74/1094523774.db2.gz HKRFMPPBKUKEID-GXSJLCMTSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217945072 1094524027 /nfs/dbraw/zinc/52/40/27/1094524027.db2.gz AOVCSRCBELBHGU-KOLCDFICSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3C[NH2+]CC[C@@H]3F)cc2)cc1 ZINC001217958191 1094530639 /nfs/dbraw/zinc/53/06/39/1094530639.db2.gz HNBWJAWOQYTENL-IRXDYDNUSA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC[C@H]2F)c(Cl)cc1Cl ZINC001217972645 1094535976 /nfs/dbraw/zinc/53/59/76/1094535976.db2.gz QJVZBQOUULMEJS-BXKDBHETSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC[C@H]2F)c(C(F)(F)F)c1 ZINC001217974314 1094537654 /nfs/dbraw/zinc/53/76/54/1094537654.db2.gz FGCTUDZFRMUPFC-PWSUYJOCSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1CCCC[NH2+]C1 ZINC001217976281 1094538441 /nfs/dbraw/zinc/53/84/41/1094538441.db2.gz PVEVRXSZSGKTSL-OAHLLOKOSA-N 1 0 319.405 3.106 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001217989714 1094545630 /nfs/dbraw/zinc/54/56/30/1094545630.db2.gz TYQROOMLNSXHNS-PELKAZGASA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001217990702 1094547168 /nfs/dbraw/zinc/54/71/68/1094547168.db2.gz VHJAQDGHIFYOAV-JOYOIKCWSA-N 1 0 318.295 3.381 20 5 DGBDRO CC(C)CCCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135501128 1094556624 /nfs/dbraw/zinc/55/66/24/1094556624.db2.gz KAQCDNRKURJUCO-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001218026548 1094566154 /nfs/dbraw/zinc/56/61/54/1094566154.db2.gz ITILMHOBHHCGBU-RNCFNFMXSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001218028648 1094568608 /nfs/dbraw/zinc/56/86/08/1094568608.db2.gz WBPHKICWEMYANV-ZANVPECISA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001218030960 1094570707 /nfs/dbraw/zinc/57/07/07/1094570707.db2.gz WMAMJVNPYCKJGK-RNCFNFMXSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1C[C@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218056222 1094579242 /nfs/dbraw/zinc/57/92/42/1094579242.db2.gz MIUYCLNNAADIJA-DTWKUNHWSA-N 1 0 320.267 3.013 20 5 DGBDRO C[C@@H]1C[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC001218062808 1094581757 /nfs/dbraw/zinc/58/17/57/1094581757.db2.gz WNVLQWXZWUTVBZ-LDYMZIIASA-N 1 0 304.268 3.133 20 5 DGBDRO c1ccc2nc3c(cccc3OC[C@@H]3CCC4(C[NH2+]C4)O3)cc2c1 ZINC001218066826 1094584624 /nfs/dbraw/zinc/58/46/24/1094584624.db2.gz CWXZEHSSMFHSGR-INIZCTEOSA-N 1 0 320.392 3.288 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@]23CC[NH2+]C3)c(C(F)(F)F)c1 ZINC001218114649 1094612018 /nfs/dbraw/zinc/61/20/18/1094612018.db2.gz KIVGEEDFXSKINR-CHWSQXEVSA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[C@]23CC[NH2+]C3)cc1Cl ZINC001218115895 1094613431 /nfs/dbraw/zinc/61/34/31/1094613431.db2.gz HLCBMNDWOCPRJD-CHWSQXEVSA-N 1 0 317.172 3.423 20 5 DGBDRO CC(C)(C)c1ccc(O[C@H]2CC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218115008 1094613998 /nfs/dbraw/zinc/61/39/98/1094613998.db2.gz MJAAFCSUJRFFSZ-DOTOQJQBSA-N 1 0 304.390 3.413 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@]23CC[NH2+]C3)cc1C(F)(F)F ZINC001218118979 1094617832 /nfs/dbraw/zinc/61/78/32/1094617832.db2.gz WTADZKAWEDOFOA-QWHCGFSZSA-N 1 0 316.279 3.135 20 5 DGBDRO c1ccc2c(c1)nc(O[C@@H]1CCO[C@@]13CC[NH2+]C3)c1ccccc21 ZINC001218136527 1094625673 /nfs/dbraw/zinc/62/56/73/1094625673.db2.gz WKAOXCVAAHWATB-UYAOXDASSA-N 1 0 320.392 3.288 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001218146219 1094631478 /nfs/dbraw/zinc/63/14/78/1094631478.db2.gz YGLRKRVGHRNXOY-HWWDLCQESA-N 1 0 310.353 3.249 20 5 DGBDRO Cc1cc(OC2CCC3(C[NH2+]C3)CC2)c([N+](=O)[O-])cc1Cl ZINC001218262151 1094685592 /nfs/dbraw/zinc/68/55/92/1094685592.db2.gz AIIKEVTUSSAOPO-UHFFFAOYSA-N 1 0 310.781 3.468 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001336721649 1094709539 /nfs/dbraw/zinc/70/95/39/1094709539.db2.gz NIRFAYRULRBOEW-RHSMWYFYSA-N 1 0 304.390 3.213 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3C[NH2+]CCC34CC4)nc2c1 ZINC001218405676 1094755983 /nfs/dbraw/zinc/75/59/83/1094755983.db2.gz PEXCAVGUMUNQKM-QGZVFWFLSA-N 1 0 305.381 3.304 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001218418452 1094765667 /nfs/dbraw/zinc/76/56/67/1094765667.db2.gz ZJNSUOJBJBZTQD-IONNQARKSA-N 1 0 305.161 3.278 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC001218420964 1094766519 /nfs/dbraw/zinc/76/65/19/1094766519.db2.gz VEMPKWPBRVNXQR-SJKOYZFVSA-N 1 0 309.365 3.323 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218443282 1094777042 /nfs/dbraw/zinc/77/70/42/1094777042.db2.gz ZILMRWKARVOZSC-AKGNYGMASA-N 1 0 303.145 3.031 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218443976 1094778773 /nfs/dbraw/zinc/77/87/73/1094778773.db2.gz DPCAQLCOYMJQRS-CGYDSVCVSA-N 1 0 303.145 3.031 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(Cl)c1Cl ZINC001218443943 1094778795 /nfs/dbraw/zinc/77/87/95/1094778795.db2.gz CTKVTKIBCIZPSB-QHMRUWFYSA-N 1 0 303.145 3.031 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c(Cl)c1 ZINC001218459684 1094788443 /nfs/dbraw/zinc/78/84/43/1094788443.db2.gz HCFWQAOYUXLAEJ-LPBBDHJYSA-N 1 0 317.172 3.278 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)nc2c1 ZINC001218460730 1094789766 /nfs/dbraw/zinc/78/97/66/1094789766.db2.gz NTWCYGRWVOCHNV-GDZNZVCISA-N 1 0 305.381 3.160 20 5 DGBDRO CC(C)(C)c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c([N+](=O)[O-])c1 ZINC001218473488 1094796784 /nfs/dbraw/zinc/79/67/84/1094796784.db2.gz RARWMPLKRRGOAY-UXIGCNINSA-N 1 0 304.390 3.269 20 5 DGBDRO CC1(C)C[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)CC[NH2+]1 ZINC001218474412 1094797374 /nfs/dbraw/zinc/79/73/74/1094797374.db2.gz FPLQAAQTJYIPLP-QMMMGPOBSA-N 1 0 302.733 3.297 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c(Cl)cc1Cl ZINC001218487862 1094815951 /nfs/dbraw/zinc/81/59/51/1094815951.db2.gz AZCHFJZFAVBSTJ-PNLAZUSQSA-N 1 0 303.145 3.031 20 5 DGBDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979050 1094918226 /nfs/dbraw/zinc/91/82/26/1094918226.db2.gz HFXAXNRFTYKSRF-JSGCOSHPSA-N 1 0 320.396 3.110 20 5 DGBDRO C[C@H](NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001122252204 1094934373 /nfs/dbraw/zinc/93/43/73/1094934373.db2.gz MSQVVBGGGNVJEH-APHBMKBZSA-N 1 0 319.405 3.070 20 5 DGBDRO C[C@H](NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001122252206 1094935499 /nfs/dbraw/zinc/93/54/99/1094935499.db2.gz MSQVVBGGGNVJEH-RCBQFDQVSA-N 1 0 319.405 3.070 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC001337555303 1095017510 /nfs/dbraw/zinc/01/75/10/1095017510.db2.gz AFQIDDDWEMZNKW-GFCCVEGCSA-N 1 0 307.394 3.330 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC001337585946 1095028256 /nfs/dbraw/zinc/02/82/56/1095028256.db2.gz NQFVKRCBWXZBMW-CYBMUJFWSA-N 1 0 315.373 3.061 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001171035970 1095167471 /nfs/dbraw/zinc/16/74/71/1095167471.db2.gz JNXJVILLZDTIDV-LRDDRELGSA-N 1 0 319.405 3.480 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC001338537276 1095329957 /nfs/dbraw/zinc/32/99/57/1095329957.db2.gz XWLPUIXMQFNPEA-MEBBXXQBSA-N 1 0 321.764 3.027 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001116030032 1095440509 /nfs/dbraw/zinc/44/05/09/1095440509.db2.gz ADWIXOLQEDROOU-RDJZCZTQSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1cccc(COC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001222769470 1095747504 /nfs/dbraw/zinc/74/75/04/1095747504.db2.gz UNDLQVZIFQQUAK-UHFFFAOYSA-N 1 0 313.357 3.175 20 5 DGBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)[C@H]2C1 ZINC001340000449 1095807128 /nfs/dbraw/zinc/80/71/28/1095807128.db2.gz WVAKQUVFZBNNQH-WFBYXXMGSA-N 1 0 311.332 3.285 20 5 DGBDRO C[NH2+][C@H](C)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001118122365 1095937993 /nfs/dbraw/zinc/93/79/93/1095937993.db2.gz VCBCZOPBEQGEHT-KDOFPFPSSA-N 1 0 313.401 3.272 20 5 DGBDRO CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001119396452 1096188753 /nfs/dbraw/zinc/18/87/53/1096188753.db2.gz HZVUXSWTXKQJFC-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO C[N+](C)(C)CCCO[C@H]1CC=C[C@@H]1COCc1ccccc1 ZINC001224619583 1096247299 /nfs/dbraw/zinc/24/72/99/1096247299.db2.gz PVEWTQAUGNFSEU-MOPGFXCFSA-N 1 0 304.454 3.261 20 5 DGBDRO CC(C)C(=O)OCC(C)(C)[C@H](OCCC[N+](C)(C)C)C(C)C ZINC001224622688 1096248883 /nfs/dbraw/zinc/24/88/83/1096248883.db2.gz IREABMSQCLVEGB-MRXNPFEDSA-N 1 0 316.506 3.349 20 5 DGBDRO CC(C)CCOC(=O)[C@@H](OCCC[N+](C)(C)C)c1ccccc1 ZINC001224622545 1096249189 /nfs/dbraw/zinc/24/91/89/1096249189.db2.gz IAJZBKRJPSQKIL-SFHVURJKSA-N 1 0 322.469 3.430 20 5 DGBDRO C[N+](C)(C)CCOC1CC(c2ccc(Br)cc2)C1 ZINC001224773113 1096282523 /nfs/dbraw/zinc/28/25/23/1096282523.db2.gz DMYJRRBUJIFGPA-UHFFFAOYSA-N 1 0 313.259 3.418 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](C3CCCC3)C2)cc1 ZINC001171331098 1096363635 /nfs/dbraw/zinc/36/36/35/1096363635.db2.gz GJHGWQZFECJWFC-OAHLLOKOSA-N 1 0 304.390 3.486 20 5 DGBDRO CC(=O)c1cc(Br)ccc1O[C@H](C)C[N+](C)(C)C ZINC001225557191 1096466545 /nfs/dbraw/zinc/46/65/45/1096466545.db2.gz DLNHMVUMFHNNTE-SNVBAGLBSA-N 1 0 315.231 3.125 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1OC1CC[NH+](C(C)(C)C)CC1 ZINC001225616441 1096483770 /nfs/dbraw/zinc/48/37/70/1096483770.db2.gz PZYCTUPDOMUHKL-UHFFFAOYSA-N 1 0 308.378 3.245 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])c(OC2CC[NH+](C(C)C)CC2)c1 ZINC001225804464 1096533778 /nfs/dbraw/zinc/53/37/78/1096533778.db2.gz SZHCYSOMUMATCY-UHFFFAOYSA-N 1 0 306.362 3.049 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(OC(F)(F)C(F)F)c1 ZINC001225897035 1096556760 /nfs/dbraw/zinc/55/67/60/1096556760.db2.gz IEMJBHZRIQWIMN-JTQLQIEISA-N 1 0 310.311 3.397 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001225919070 1096564910 /nfs/dbraw/zinc/56/49/10/1096564910.db2.gz OTVDSIGAEGXTDT-JTQLQIEISA-N 1 0 318.295 3.477 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001226302597 1096657250 /nfs/dbraw/zinc/65/72/50/1096657250.db2.gz FZPOUMBUPSYWFS-CYBMUJFWSA-N 1 0 316.279 3.087 20 5 DGBDRO CC[N@@H+]1CC[C@@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226512174 1096708958 /nfs/dbraw/zinc/70/89/58/1096708958.db2.gz OOZSSMRRQJHTNO-CQSZACIVSA-N 1 0 309.365 3.419 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC001226708831 1096756404 /nfs/dbraw/zinc/75/64/04/1096756404.db2.gz DAWTVOYGXFMPFA-HNNXBMFYSA-N 1 0 301.346 3.062 20 5 DGBDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763367 1096770503 /nfs/dbraw/zinc/77/05/03/1096770503.db2.gz QWEYIWXOQGEKOH-CZUORRHYSA-N 1 0 313.357 3.204 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC001226908513 1096812520 /nfs/dbraw/zinc/81/25/20/1096812520.db2.gz JCIKUAMTPSNPFI-VIFPVBQESA-N 1 0 302.733 3.250 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226965102 1096830754 /nfs/dbraw/zinc/83/07/54/1096830754.db2.gz UVZPCUPSKJBOAW-SNVBAGLBSA-N 1 0 304.268 3.087 20 5 DGBDRO CO[C@@H]1CC[N@H+](CCOc2nc3ccccc3c3ccccc32)C1 ZINC001226991834 1096838269 /nfs/dbraw/zinc/83/82/69/1096838269.db2.gz FHVYOEIJWRCEGQ-OAHLLOKOSA-N 1 0 322.408 3.488 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cccc3cnccc32)cc1[N+](=O)[O-] ZINC001649161584 1096850406 /nfs/dbraw/zinc/85/04/06/1096850406.db2.gz WCOYYDXBJGUVBZ-UHFFFAOYSA-N 1 0 323.352 3.441 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(O[C@H](CC[NH+](C)C)c2ccccc2)n1 ZINC001227062831 1096857216 /nfs/dbraw/zinc/85/72/16/1096857216.db2.gz VABNHLCSVKTHFC-MRXNPFEDSA-N 1 0 315.373 3.370 20 5 DGBDRO CC[NH+]1CCC(Oc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001227153191 1096881079 /nfs/dbraw/zinc/88/10/79/1096881079.db2.gz GKIXQAJZEFGECW-UHFFFAOYSA-N 1 0 302.733 3.250 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1[N+](=O)[O-] ZINC001227484842 1096939335 /nfs/dbraw/zinc/93/93/35/1096939335.db2.gz ZOXGOSVWBGOLPQ-KSSFIOAISA-N 1 0 312.369 3.494 20 5 DGBDRO COC(=O)c1c(O[C@H](C)C[N+](C)(C)C)ccc2ccccc21 ZINC001227708509 1096974272 /nfs/dbraw/zinc/97/42/72/1096974272.db2.gz UYDKITPFALAICH-CYBMUJFWSA-N 1 0 302.394 3.100 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1C(=O)Nc1ccccc1 ZINC001228030335 1097035300 /nfs/dbraw/zinc/03/53/00/1097035300.db2.gz KFLKAWIMPHWOIP-OAHLLOKOSA-O 1 0 313.421 3.412 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001228135272 1097059916 /nfs/dbraw/zinc/05/99/16/1097059916.db2.gz DBOVAFSLHWQMRO-LBPRGKRZSA-N 1 0 301.346 3.006 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ccccc2n1-c1ccccc1 ZINC001228679398 1097165459 /nfs/dbraw/zinc/16/54/59/1097165459.db2.gz PCRYNJDEGUTHSN-OAHLLOKOSA-N 1 0 310.421 3.499 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1cnccc1[N+](=O)[O-])c1ccccc1 ZINC001228881911 1097209893 /nfs/dbraw/zinc/20/98/93/1097209893.db2.gz JJQFBRPBEPHAEZ-HNNXBMFYSA-N 1 0 301.346 3.062 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC001228929978 1097219039 /nfs/dbraw/zinc/21/90/39/1097219039.db2.gz INFDYBYACPHQQP-JTQLQIEISA-N 1 0 318.295 3.477 20 5 DGBDRO CC(=O)c1cccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001229137658 1097262635 /nfs/dbraw/zinc/26/26/35/1097262635.db2.gz JCLJMUUZTMQGGU-JOCQHMNTSA-N 1 0 306.362 3.049 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCC(F)(F)F)CC2 ZINC001172896805 1097266783 /nfs/dbraw/zinc/26/67/83/1097266783.db2.gz RYDATEGKUZRMQD-GFCCVEGCSA-N 1 0 302.296 3.384 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(O)c1)CC2 ZINC001172899632 1097267113 /nfs/dbraw/zinc/26/71/13/1097267113.db2.gz OMJZKCPBSHZGDH-MRXNPFEDSA-N 1 0 312.369 3.338 20 5 DGBDRO [NH3+]Cc1cccc(N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172899237 1097267474 /nfs/dbraw/zinc/26/74/74/1097267474.db2.gz MTRZSFDVXVIYQZ-MRXNPFEDSA-N 1 0 311.385 3.413 20 5 DGBDRO CC1(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCOCC1 ZINC001172902458 1097268401 /nfs/dbraw/zinc/26/84/01/1097268401.db2.gz YSGQJCPCNDZBMT-MRXNPFEDSA-N 1 0 318.417 3.249 20 5 DGBDRO C[C@@]1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCOC1 ZINC001172907100 1097268943 /nfs/dbraw/zinc/26/89/43/1097268943.db2.gz CXEYDZIUFCKOEX-NVXWUHKLSA-N 1 0 304.390 3.001 20 5 DGBDRO COC1(C)CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907438 1097268981 /nfs/dbraw/zinc/26/89/81/1097268981.db2.gz DRTOSZKHUPAIPO-MRXNPFEDSA-N 1 0 318.417 3.343 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccno1 ZINC001172907076 1097269073 /nfs/dbraw/zinc/26/90/73/1097269073.db2.gz CNNZOALBRUTLHL-SMDDNHRTSA-N 1 0 301.346 3.181 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(F)nc1)CC2 ZINC001172903731 1097269182 /nfs/dbraw/zinc/26/91/82/1097269182.db2.gz SRQSQQPFEATGIM-HNNXBMFYSA-N 1 0 315.348 3.166 20 5 DGBDRO C[C@]1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCOC1 ZINC001172907101 1097269269 /nfs/dbraw/zinc/26/92/69/1097269269.db2.gz CXEYDZIUFCKOEX-RDJZCZTQSA-N 1 0 304.390 3.001 20 5 DGBDRO C[N@H+](CC1CCOCC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908763 1097270360 /nfs/dbraw/zinc/27/03/60/1097270360.db2.gz NXRODKIEGTWKLJ-QGZVFWFLSA-N 1 0 318.417 3.201 20 5 DGBDRO COC[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)C ZINC001172895607 1097278444 /nfs/dbraw/zinc/27/84/44/1097278444.db2.gz GAVSWYHGQVHNLL-DOTOQJQBSA-N 1 0 306.406 3.103 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1Cc3ccncc3C1)CC2 ZINC001172918221 1097280263 /nfs/dbraw/zinc/28/02/63/1097280263.db2.gz ZHNUCDZOHHVVOQ-KRWDZBQOSA-N 1 0 309.369 3.253 20 5 DGBDRO C[N@H+](Cc1cncs1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919787 1097280878 /nfs/dbraw/zinc/28/08/78/1097280878.db2.gz HOFMHHYPHMTYFI-AWEZNQCLSA-N 1 0 317.414 3.431 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1c2ccoc2cc2oc(=O)ccc21 ZINC001229247357 1097283677 /nfs/dbraw/zinc/28/36/77/1097283677.db2.gz ONJOOHJVIDYCBZ-NSHDSACASA-N 1 0 302.350 3.013 20 5 DGBDRO CC(C)[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172912449 1097291442 /nfs/dbraw/zinc/29/14/42/1097291442.db2.gz AAVYJFHOARMLEL-FUHWJXTLSA-N 1 0 318.417 3.199 20 5 DGBDRO CC(C)O[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912066 1097292323 /nfs/dbraw/zinc/29/23/23/1097292323.db2.gz IKNWHYQPVNUKHL-FUHWJXTLSA-N 1 0 318.417 3.342 20 5 DGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([N+](=O)[O-])ccc1O)C2 ZINC001229396804 1097312385 /nfs/dbraw/zinc/31/23/85/1097312385.db2.gz ZARKPOKFIPTNEP-IMRBUKKESA-N 1 0 306.362 3.083 20 5 DGBDRO Cc1ccc(NC(=O)C(C)(C)C)cc1O[C@@H](C)C[N+](C)(C)C ZINC001229504021 1097334670 /nfs/dbraw/zinc/33/46/70/1097334670.db2.gz DROUZEMNTCKWNH-AWEZNQCLSA-O 1 0 307.458 3.453 20 5 DGBDRO C[C@H](c1cccc(O[C@H](C[N+](=O)[O-])c2cccnc2)c1)[NH+](C)C ZINC001229626396 1097354792 /nfs/dbraw/zinc/35/47/92/1097354792.db2.gz LVJRTNRADZGXHQ-CXAGYDPISA-N 1 0 315.373 3.101 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccccc2)c1F ZINC001173175978 1097355686 /nfs/dbraw/zinc/35/56/86/1097355686.db2.gz WQUMODMTFMTLAM-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccccc2)c1F ZINC001173175979 1097356102 /nfs/dbraw/zinc/35/61/02/1097356102.db2.gz WQUMODMTFMTLAM-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO CCSCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173176608 1097356319 /nfs/dbraw/zinc/35/63/19/1097356319.db2.gz KNDJKRGUMYNMNL-SNVBAGLBSA-N 1 0 316.398 3.016 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2C3CCC2CC3)c1F ZINC001173190126 1097357558 /nfs/dbraw/zinc/35/75/58/1097357558.db2.gz QPRMCXVSJDKSGR-VOMCLLRMSA-N 1 0 308.353 3.300 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)c2ccno2)c1F ZINC001173186357 1097357992 /nfs/dbraw/zinc/35/79/92/1097357992.db2.gz RLUOTFDJPRDVHG-ZJUUUORDSA-N 1 0 323.324 3.012 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H]3C[C@@H]32)c1F ZINC001173192600 1097358002 /nfs/dbraw/zinc/35/80/02/1097358002.db2.gz MDFZKVQMOXONPM-WDMOLILDSA-N 1 0 308.353 3.158 20 5 DGBDRO CCCC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215371 1097367625 /nfs/dbraw/zinc/36/76/25/1097367625.db2.gz VOEVEYSYNOWCRG-HNNXBMFYSA-N 1 0 307.438 3.237 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H](C(C)(C)O)CC1 ZINC001173217880 1097368808 /nfs/dbraw/zinc/36/88/08/1097368808.db2.gz NCPLBXCNUBAEBM-FVQBIDKESA-N 1 0 320.433 3.445 20 5 DGBDRO CCCc1cc(C[NH3+])nn1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217977 1097369581 /nfs/dbraw/zinc/36/95/81/1097369581.db2.gz HZQXTZIAWSGWJU-LBPRGKRZSA-N 1 0 302.378 3.006 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(F)(F)[C@@H](F)C1 ZINC001173220598 1097371767 /nfs/dbraw/zinc/37/17/67/1097371767.db2.gz BCDVVKNAUKLWMT-MFKMUULPSA-N 1 0 302.296 3.205 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cnc2ccccn12 ZINC001173221763 1097372074 /nfs/dbraw/zinc/37/20/74/1097372074.db2.gz LZAHMAQEXHRJHS-AWEZNQCLSA-N 1 0 324.384 3.306 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001173223019 1097372819 /nfs/dbraw/zinc/37/28/19/1097372819.db2.gz WJYUYZJAZVRIIZ-KMFMINBZSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc2cccc(C[NH3+])c21 ZINC001173222061 1097373055 /nfs/dbraw/zinc/37/30/55/1097373055.db2.gz SSXJGLLORZAPDG-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@](C)(O)CC1 ZINC001173226686 1097374518 /nfs/dbraw/zinc/37/45/18/1097374518.db2.gz NLPSTOZCALWHBR-CPUCHLNUSA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CC2CC2)CCOCC1 ZINC001173226127 1097374600 /nfs/dbraw/zinc/37/46/00/1097374600.db2.gz VAVZWMJDFKFDFH-AWEZNQCLSA-N 1 0 318.417 3.465 20 5 DGBDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229842 1097375862 /nfs/dbraw/zinc/37/58/62/1097375862.db2.gz AVEIBWQUXKUADI-XEZPLFJOSA-N 1 0 322.405 3.045 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc(O)c1 ZINC001173229371 1097376170 /nfs/dbraw/zinc/37/61/70/1097376170.db2.gz TWGFIDLKMOQJCM-CYBMUJFWSA-N 1 0 300.358 3.363 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001173228963 1097376480 /nfs/dbraw/zinc/37/64/80/1097376480.db2.gz OQRAQDGRXOXIIW-FRFSOERESA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cncc(F)c1 ZINC001173230070 1097376565 /nfs/dbraw/zinc/37/65/65/1097376565.db2.gz QEUHIAVHGPRICG-VXGBXAGGSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOc2ccccc2C1 ZINC001173228465 1097376630 /nfs/dbraw/zinc/37/66/30/1097376630.db2.gz XGIQHEZNAFLWEE-AWEZNQCLSA-N 1 0 312.369 3.420 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCCOC2)CC1 ZINC001173231956 1097377405 /nfs/dbraw/zinc/37/74/05/1097377405.db2.gz PFSLHIDVBZNPPY-OAHLLOKOSA-N 1 0 318.417 3.418 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2cccnc2)CC1 ZINC001173230586 1097377433 /nfs/dbraw/zinc/37/74/33/1097377433.db2.gz RZEVKJAOQVDYKI-CQSZACIVSA-N 1 0 311.385 3.286 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001173232385 1097377661 /nfs/dbraw/zinc/37/76/61/1097377661.db2.gz FUJDEJNHBRFWDR-DGCLKSJQSA-N 1 0 310.394 3.055 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001173234935 1097378045 /nfs/dbraw/zinc/37/80/45/1097378045.db2.gz UXGQHEINOBRBRD-WMLDXEAASA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC([N@H+](C)C2CC2)CC1 ZINC001173233664 1097378531 /nfs/dbraw/zinc/37/85/31/1097378531.db2.gz XWPHJERGHVQBOK-CQSZACIVSA-N 1 0 317.433 3.084 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH3+])c2ccccc21 ZINC001173235483 1097378619 /nfs/dbraw/zinc/37/86/19/1097378619.db2.gz TZDVQTOSSOIHOK-SUMWQHHRSA-N 1 0 311.385 3.436 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC001173234362 1097378725 /nfs/dbraw/zinc/37/87/25/1097378725.db2.gz OKHMFSPDDZOJEQ-HOTGVXAUSA-N 1 0 319.449 3.236 20 5 DGBDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173213438 1097381544 /nfs/dbraw/zinc/38/15/44/1097381544.db2.gz FGCSBZJOWJFUJK-CYBMUJFWSA-N 1 0 300.358 3.324 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cccc(F)c1 ZINC001173213017 1097381751 /nfs/dbraw/zinc/38/17/51/1097381751.db2.gz CETSIRGSCFLMHO-CYBMUJFWSA-N 1 0 302.349 3.497 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H](O)c1ccccc1 ZINC001173214639 1097382143 /nfs/dbraw/zinc/38/21/43/1097382143.db2.gz DATBZMAWIRHHHD-RDTXWAMCSA-N 1 0 314.385 3.239 20 5 DGBDRO COC(=O)c1ccc2ccccc2c1O[C@H](C)C[N+](C)(C)C ZINC001230219170 1097458698 /nfs/dbraw/zinc/45/86/98/1097458698.db2.gz LCDLTMCQBHBIRG-CYBMUJFWSA-N 1 0 302.394 3.100 20 5 DGBDRO Cc1ccc(OC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230492479 1097498340 /nfs/dbraw/zinc/49/83/40/1097498340.db2.gz PQJNWQIBRHKMBU-UHFFFAOYSA-N 1 0 323.349 3.063 20 5 DGBDRO COC(=O)C[C@H](c1cccc(O[C@H](C)C[N+](C)(C)C)c1)C1CC1 ZINC001230987976 1097638463 /nfs/dbraw/zinc/63/84/63/1097638463.db2.gz BHFMHNWIAQNXBZ-KDOFPFPSSA-N 1 0 320.453 3.217 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231156853 1097683976 /nfs/dbraw/zinc/68/39/76/1097683976.db2.gz RXGUAEPCKDQJNW-AWEZNQCLSA-N 1 0 315.373 3.395 20 5 DGBDRO CC(C)CCOC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001231248818 1097702142 /nfs/dbraw/zinc/70/21/42/1097702142.db2.gz JMQDULGBIBZAHQ-OAHLLOKOSA-N 1 0 308.442 3.363 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)CC1 ZINC001231330466 1097722969 /nfs/dbraw/zinc/72/29/69/1097722969.db2.gz ABMJMNHOJVRMSG-CQSZACIVSA-N 1 0 324.380 3.156 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1O ZINC001232218386 1097969966 /nfs/dbraw/zinc/96/99/66/1097969966.db2.gz HQCHIRXVHVQGAS-KBXCAEBGSA-N 1 0 321.424 3.376 20 5 DGBDRO COc1ccc(Nc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC001176363820 1098333971 /nfs/dbraw/zinc/33/39/71/1098333971.db2.gz URWXEPUXCBZTIJ-UHFFFAOYSA-N 1 0 301.346 3.409 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2cc(Br)cnc21 ZINC001233632984 1098394763 /nfs/dbraw/zinc/39/47/63/1098394763.db2.gz OZTKZMGLQGPMNR-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(C(F)(F)F)c1 ZINC001233820521 1098437299 /nfs/dbraw/zinc/43/72/99/1098437299.db2.gz QAWFLUBOLJPBBE-JTQLQIEISA-N 1 0 304.332 3.382 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])CC1 ZINC001233699471 1098411751 /nfs/dbraw/zinc/41/17/51/1098411751.db2.gz PTHUDWZXSATWHD-XYPYZODXSA-N 1 0 300.305 3.125 20 5 DGBDRO NC(=O)[C@@H]1CC12C[NH+](Cc1c3ccccc3cc3ccccc31)C2 ZINC001277814824 1098443836 /nfs/dbraw/zinc/44/38/36/1098443836.db2.gz PNVUXKGUAAOAGT-IBGZPJMESA-N 1 0 316.404 3.300 20 5 DGBDRO NC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c2ccccc2cc2ccccc21 ZINC001277813695 1098444707 /nfs/dbraw/zinc/44/47/07/1098444707.db2.gz AYHZSBBVNBADHK-HRAATJIYSA-N 1 0 316.404 3.443 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)N1CCC(C)CC1 ZINC001177548803 1098554383 /nfs/dbraw/zinc/55/43/83/1098554383.db2.gz SEZNJOXZBYMBPK-HNNXBMFYSA-N 1 0 319.449 3.422 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cc3cccnc3o2)cc1[N+](=O)[O-] ZINC001177733237 1098593862 /nfs/dbraw/zinc/59/38/62/1098593862.db2.gz ISDLKLAIICYQCX-UHFFFAOYSA-N 1 0 313.313 3.034 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001234674550 1098641047 /nfs/dbraw/zinc/64/10/47/1098641047.db2.gz PFCUWTIFBWYGTF-LBPRGKRZSA-N 1 0 301.346 3.006 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1nccc2c1cccc2[N+](=O)[O-] ZINC001234674986 1098641829 /nfs/dbraw/zinc/64/18/29/1098641829.db2.gz VHXMLORGTMOQDB-GFCCVEGCSA-N 1 0 303.362 3.252 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cccc2c1OCC2)c1ccccc1[N+](=O)[O-] ZINC001179685256 1099163327 /nfs/dbraw/zinc/16/33/27/1099163327.db2.gz IHRDNVIHEWAIBJ-ZDUSSCGKSA-N 1 0 312.369 3.423 20 5 DGBDRO OCC[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCN1 ZINC001236086023 1099379190 /nfs/dbraw/zinc/37/91/90/1099379190.db2.gz MRWMXIVAJJFWGZ-SFHVURJKSA-N 1 0 320.436 3.149 20 5 DGBDRO Cc1nnc([C@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC001180674097 1099488592 /nfs/dbraw/zinc/48/85/92/1099488592.db2.gz SGHBSQWOXDLEKC-QWRGUYRKSA-N 1 0 320.418 3.427 20 5 DGBDRO CC1(C)CC[N@H+](CCNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001187863684 1099621267 /nfs/dbraw/zinc/62/12/67/1099621267.db2.gz ZDXNJRWWGOHKOQ-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC(C)(C)CC1 ZINC001191297340 1100445730 /nfs/dbraw/zinc/44/57/30/1100445730.db2.gz FSPUFQVOAVFOHI-ZDUSSCGKSA-N 1 0 319.405 3.434 20 5 DGBDRO O=[N+]([O-])CC[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC001192902475 1100675357 /nfs/dbraw/zinc/67/53/57/1100675357.db2.gz XLANIPACZSYDAU-INIZCTEOSA-N 1 0 304.777 3.490 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001194260554 1100904880 /nfs/dbraw/zinc/90/48/80/1100904880.db2.gz FAUROTXEVZVAKO-IYBDPMFKSA-N 1 0 319.449 3.047 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC001194458358 1100942644 /nfs/dbraw/zinc/94/26/44/1100942644.db2.gz RODPWCHGXRMJIZ-NFMODRRSSA-N 1 0 314.332 3.022 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC001194817665 1101016855 /nfs/dbraw/zinc/01/68/55/1101016855.db2.gz REBQPVQFOCDUMH-HNNXBMFYSA-N 1 0 304.390 3.486 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001195037110 1101056352 /nfs/dbraw/zinc/05/63/52/1101056352.db2.gz LKWXGPVKLCGZJN-LRDDRELGSA-N 1 0 319.405 3.480 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001198685180 1101957864 /nfs/dbraw/zinc/95/78/64/1101957864.db2.gz HXKIBZCVUNVVGS-GDBMZVCRSA-N 1 0 320.389 3.007 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1nc2cc(F)ccc2o1 ZINC001202229058 1102882355 /nfs/dbraw/zinc/88/23/55/1102882355.db2.gz ZFIRKIHGKIZAEV-UHFFFAOYSA-N 1 0 315.304 3.207 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC001327615661 1103693192 /nfs/dbraw/zinc/69/31/92/1103693192.db2.gz HHGOPBQYORIZDC-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CCOc1cccc(NC[C@@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC001327616554 1103693762 /nfs/dbraw/zinc/69/37/62/1103693762.db2.gz NFQTXIKLJCCMTR-ZDUSSCGKSA-N 1 0 307.394 3.137 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001327983966 1103792398 /nfs/dbraw/zinc/79/23/98/1103792398.db2.gz YDRXCGOKQGQXSS-CVEARBPZSA-N 1 0 314.389 3.428 20 5 DGBDRO COc1ccc(CNC(=[NH2+])Nc2ccccc2C)cc1[N+](=O)[O-] ZINC001330028859 1104456521 /nfs/dbraw/zinc/45/65/21/1104456521.db2.gz YWCYJIPNMGZRLB-UHFFFAOYSA-N 1 0 314.345 3.048 20 5 DGBDRO CS[C@@H]1CC[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001330089850 1104478150 /nfs/dbraw/zinc/47/81/50/1104478150.db2.gz YEGGAUQPNUXHPC-DZGCQCFKSA-N 1 0 310.419 3.190 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246460465 1104547613 /nfs/dbraw/zinc/54/76/13/1104547613.db2.gz IJFIQBCCRWVXKH-KBXCAEBGSA-N 1 0 317.433 3.038 20 5 DGBDRO CCCC(CN)(CCC)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246501008 1104566725 /nfs/dbraw/zinc/56/67/25/1104566725.db2.gz JVIBUBZKERQUMW-AWEZNQCLSA-N 1 0 307.438 3.413 20 5 DGBDRO CC(C)(C)C(=[NH2+])NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465342 1106077112 /nfs/dbraw/zinc/07/71/12/1106077112.db2.gz WPSJQFILYOHWLW-UHFFFAOYSA-N 1 0 304.394 3.177 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CC4(CCC4)C3)CC2)cc1 ZINC001254474709 1106077733 /nfs/dbraw/zinc/07/77/33/1106077733.db2.gz UDNBRDGVDHWCEG-UHFFFAOYSA-N 1 0 301.390 3.050 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1ccccc1 ZINC001254533349 1106096793 /nfs/dbraw/zinc/09/67/93/1106096793.db2.gz KCJSGCNGRJNMBE-RDTXWAMCSA-N 1 0 314.385 3.023 20 5 DGBDRO CC(=O)[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001254537889 1106097764 /nfs/dbraw/zinc/09/77/64/1106097764.db2.gz JGWZZOQEDBKUCJ-UGSOOPFHSA-N 1 0 312.369 3.446 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](C(C)(C)O)CC1 ZINC001254537784 1106097774 /nfs/dbraw/zinc/09/77/74/1106097774.db2.gz HPFDFVMFDVTMCF-BPUTZDHNSA-N 1 0 320.433 3.445 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])c1ccc(Cl)nc1 ZINC001254534913 1106097938 /nfs/dbraw/zinc/09/79/38/1106097938.db2.gz DOHJONHQBRXIPC-JTQLQIEISA-N 1 0 318.764 3.189 20 5 DGBDRO CC(C)c1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC001254539507 1106098705 /nfs/dbraw/zinc/09/87/05/1106098705.db2.gz IHJCBZTVOUTZDT-LBPRGKRZSA-N 1 0 303.362 3.427 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCCC(C)(C)O ZINC001254540755 1106098761 /nfs/dbraw/zinc/09/87/61/1106098761.db2.gz VYSDJTUABZZAAJ-UONOGXRCSA-N 1 0 308.422 3.445 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)c1ccccc1 ZINC001254542932 1106099609 /nfs/dbraw/zinc/09/96/09/1106099609.db2.gz QJPSWCJORFTWRY-CQSZACIVSA-N 1 0 312.369 3.388 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2ocnc2c1 ZINC001254542522 1106099670 /nfs/dbraw/zinc/09/96/70/1106099670.db2.gz OPTOVVRHTAEMRN-GFCCVEGCSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(c2ccccn2)CC1 ZINC001254544074 1106099749 /nfs/dbraw/zinc/09/97/49/1106099749.db2.gz UONHCHDHLFYVCS-AWEZNQCLSA-N 1 0 311.385 3.242 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nn(C)c2ccccc12 ZINC001254542879 1106099887 /nfs/dbraw/zinc/09/98/87/1106099887.db2.gz PMKHRXDZCLZZLO-ZDUSSCGKSA-N 1 0 324.384 3.202 20 5 DGBDRO COc1ccc(F)c(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254548235 1106100498 /nfs/dbraw/zinc/10/04/98/1106100498.db2.gz LVGKBWGQHINEAH-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO CCCc1cc(C[NH3+])nn1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254545293 1106100585 /nfs/dbraw/zinc/10/05/85/1106100585.db2.gz CBGQTYZSVADPKB-LBPRGKRZSA-N 1 0 302.378 3.006 20 5 DGBDRO COc1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1F ZINC001254549719 1106101197 /nfs/dbraw/zinc/10/11/97/1106101197.db2.gz XZNRGQWFFQOHMW-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO COC[C@@]12CCC[C@@H]1C[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254558034 1106103022 /nfs/dbraw/zinc/10/30/22/1106103022.db2.gz SGKNRPYTYHYYQF-KYJSFNMBSA-N 1 0 318.417 3.274 20 5 DGBDRO COC[C@@]12CCC[C@@H]1C[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254558037 1106103114 /nfs/dbraw/zinc/10/31/14/1106103114.db2.gz SGKNRPYTYHYYQF-LESCRADOSA-N 1 0 318.417 3.274 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCO2)CC1 ZINC001254559645 1106103306 /nfs/dbraw/zinc/10/33/06/1106103306.db2.gz LMZOHDTXRKZGQS-AWEZNQCLSA-N 1 0 304.390 3.171 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cccn2)CC1 ZINC001254563703 1106104402 /nfs/dbraw/zinc/10/44/02/1106104402.db2.gz BLFJNOSBSKWXKD-CQSZACIVSA-N 1 0 314.389 3.059 20 5 DGBDRO COCCC1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254561385 1106104514 /nfs/dbraw/zinc/10/45/14/1106104514.db2.gz HDEFPJIXELETDL-AWEZNQCLSA-N 1 0 306.406 3.274 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001254563823 1106104532 /nfs/dbraw/zinc/10/45/32/1106104532.db2.gz DLNPKGLMOJHLND-WMLDXEAASA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001254562616 1106104542 /nfs/dbraw/zinc/10/45/42/1106104542.db2.gz ODXAFRCICYBSHR-PBHICJAKSA-N 1 0 311.385 3.410 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001254565448 1106104961 /nfs/dbraw/zinc/10/49/61/1106104961.db2.gz PGDOJBARRZUSHX-DZGCQCFKSA-N 1 0 322.380 3.119 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@H+](C)CC12CCCC2 ZINC001254567402 1106105279 /nfs/dbraw/zinc/10/52/79/1106105279.db2.gz CVEHIESPONNMLV-HNNXBMFYSA-N 1 0 317.433 3.086 20 5 DGBDRO Cc1cccc2c1[C@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCO2 ZINC001254566814 1106105303 /nfs/dbraw/zinc/10/53/03/1106105303.db2.gz KMWGDMLQNUDIFO-NVXWUHKLSA-N 1 0 324.380 3.484 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc(F)ccc1F)C2 ZINC001254571971 1106106106 /nfs/dbraw/zinc/10/61/06/1106106106.db2.gz FMHFYLZHTJMKIE-CQSZACIVSA-N 1 0 304.296 3.130 20 5 DGBDRO [NH3+]Cc1cccc2c1ccn2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569818 1106106164 /nfs/dbraw/zinc/10/61/64/1106106164.db2.gz ZJQYFKDERWFDBV-INIZCTEOSA-N 1 0 307.353 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(F)c(F)c1F)C2 ZINC001254573445 1106106743 /nfs/dbraw/zinc/10/67/43/1106106743.db2.gz ZPUWTGZAVHUPOV-LBPRGKRZSA-N 1 0 322.286 3.269 20 5 DGBDRO Cc1ccc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)s1 ZINC001254572597 1106107019 /nfs/dbraw/zinc/10/70/19/1106107019.db2.gz QXIMKEIBJUGQTA-CQSZACIVSA-N 1 0 302.399 3.264 20 5 DGBDRO CC1(C)CC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC(C)(C)O1 ZINC001254578111 1106107581 /nfs/dbraw/zinc/10/75/81/1106107581.db2.gz JJAINWCZDZQYTP-AWEZNQCLSA-N 1 0 318.417 3.388 20 5 DGBDRO COc1cccc2c1CC[C@H]2[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579388 1106107629 /nfs/dbraw/zinc/10/76/29/1106107629.db2.gz RJGJOVMIEIPIBA-KBXCAEBGSA-N 1 0 324.380 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc3ccncc31)C2 ZINC001254577183 1106107684 /nfs/dbraw/zinc/10/76/84/1106107684.db2.gz CMCIQYSEHVXQLS-QGZVFWFLSA-N 1 0 319.364 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCc1ccc(F)cc1F)C2 ZINC001254582791 1106108160 /nfs/dbraw/zinc/10/81/60/1106108160.db2.gz XFJAREHHROJJLI-OAHLLOKOSA-N 1 0 318.323 3.173 20 5 DGBDRO Cc1nc([C@@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC001254581039 1106108371 /nfs/dbraw/zinc/10/83/71/1106108371.db2.gz IJRFYAGQZABPIE-NOZJJQNGSA-N 1 0 303.387 3.178 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(c3ccccc3F)CC1)C2 ZINC001254580944 1106108532 /nfs/dbraw/zinc/10/85/32/1106108532.db2.gz IKUBFKYTCKSEBY-CQSZACIVSA-N 1 0 312.344 3.480 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)C2 ZINC001254580185 1106108570 /nfs/dbraw/zinc/10/85/70/1106108570.db2.gz ZSQHRDTVHSQFDK-MAUKXSAKSA-N 1 0 309.369 3.198 20 5 DGBDRO Cc1cc2c(cn1)[C@@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254586301 1106109019 /nfs/dbraw/zinc/10/90/19/1106109019.db2.gz PLXFEBVMQWCXQZ-YJBOKZPZSA-N 1 0 309.369 3.043 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCc3ccncc31)C2 ZINC001254588402 1106109159 /nfs/dbraw/zinc/10/91/59/1106109159.db2.gz FLIKJUGBRBXIJN-YJBOKZPZSA-N 1 0 309.369 3.124 20 5 DGBDRO Cc1cccnc1C1(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587977 1106109180 /nfs/dbraw/zinc/10/91/80/1106109180.db2.gz TYJKGMHNKZEBDM-MRXNPFEDSA-N 1 0 323.396 3.087 20 5 DGBDRO Cc1cc2c(cn1)[C@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254586298 1106109271 /nfs/dbraw/zinc/10/92/71/1106109271.db2.gz PLXFEBVMQWCXQZ-CRAIPNDOSA-N 1 0 309.369 3.043 20 5 DGBDRO C[N@H+](CCC(=O)c1ccccc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602852 1106111498 /nfs/dbraw/zinc/11/14/98/1106111498.db2.gz JGUOLIZWLVCYGB-SFHVURJKSA-N 1 0 324.380 3.267 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001254600933 1106111623 /nfs/dbraw/zinc/11/16/23/1106111623.db2.gz SLYKOYBLSGMRIW-JSGCOSHPSA-N 1 0 314.307 3.336 20 5 DGBDRO C[N@H+](Cc1nc2ccccc2o1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604361 1106111636 /nfs/dbraw/zinc/11/16/36/1106111636.db2.gz WDGNFJVBOMIEPL-HNNXBMFYSA-N 1 0 323.352 3.335 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCc3cc(F)ccc3C1)C2 ZINC001254607706 1106112293 /nfs/dbraw/zinc/11/22/93/1106112293.db2.gz MHWYXOVADGAUEU-SFHVURJKSA-N 1 0 312.344 3.259 20 5 DGBDRO CCC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087800 1106367209 /nfs/dbraw/zinc/36/72/09/1106367209.db2.gz QAMFZOBNGNGGFV-ZDUSSCGKSA-N 1 0 321.421 3.350 20 5 DGBDRO CC(C)(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001320116375 1106883332 /nfs/dbraw/zinc/88/33/32/1106883332.db2.gz LRJIUIGRCJVUEV-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO CC[NH+](CC)C1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC001320602338 1107068963 /nfs/dbraw/zinc/06/89/63/1107068963.db2.gz PNMKUIKJZWZVCZ-UHFFFAOYSA-N 1 0 321.421 3.052 20 5 DGBDRO C[C@@H](CCO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001319003893 1108272091 /nfs/dbraw/zinc/27/20/91/1108272091.db2.gz AOZPEEYSOIUJLO-JTQLQIEISA-N 1 0 324.764 3.369 20 5 DGBDRO CCCC1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC001319404203 1108447275 /nfs/dbraw/zinc/44/72/75/1108447275.db2.gz LDGJKXHTBRSCCQ-UHFFFAOYSA-N 1 0 317.393 3.118 20 5 DGBDRO COc1cc(N[C@@H]2CCCC[C@H]2[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC001319690774 1108595305 /nfs/dbraw/zinc/59/53/05/1108595305.db2.gz GUFWFVLHBMVULM-DGCLKSJQSA-N 1 0 311.357 3.027 20 5 DGBDRO Cc1ccc(C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C(C)C)s1 ZINC001307428189 1111298969 /nfs/dbraw/zinc/29/89/69/1111298969.db2.gz NVZIKKWCEKWSPH-UHFFFAOYSA-N 1 0 322.434 3.380 20 5 DGBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]21 ZINC001307603810 1111319118 /nfs/dbraw/zinc/31/91/18/1111319118.db2.gz PXCLJRLTXGGVJM-KBRIMQKVSA-N 1 0 304.390 3.484 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC001307854823 1111347554 /nfs/dbraw/zinc/34/75/54/1111347554.db2.gz XAQWWPVRLQWGDZ-KGLIPLIRSA-N 1 0 308.426 3.246 20 5 DGBDRO COC(=O)C1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCCC1 ZINC001308327930 1111417114 /nfs/dbraw/zinc/41/71/14/1111417114.db2.gz YILMIQHBMCXTJI-UHFFFAOYSA-N 1 0 320.389 3.035 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC001308366347 1111422406 /nfs/dbraw/zinc/42/24/06/1111422406.db2.gz NRESWOQAOOAZET-SNVBAGLBSA-N 1 0 321.402 3.262 20 5 DGBDRO CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001308542243 1111440413 /nfs/dbraw/zinc/44/04/13/1111440413.db2.gz BIXCCNOYHMWXOA-CABCVRRESA-N 1 0 320.389 3.195 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC001308754286 1111470817 /nfs/dbraw/zinc/47/08/17/1111470817.db2.gz JBRHDHRTKULZIC-WCQYABFASA-N 1 0 308.378 3.320 20 5 DGBDRO CC[N@H+](C)[C@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001308986851 1111506410 /nfs/dbraw/zinc/50/64/10/1111506410.db2.gz IHHPXRUBUYHZBB-QXSWTLKVSA-N 1 0 303.406 3.024 20 5 DGBDRO Cc1cc(NC[C@H](C)C[C@@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272862205 210256309 /nfs/dbraw/zinc/25/63/09/210256309.db2.gz QOBWCPHHLIMMGT-ZYHUDNBSSA-N 1 0 303.362 3.270 20 5 DGBDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414662864 230799757 /nfs/dbraw/zinc/79/97/57/230799757.db2.gz ZXFARUUZWPKDFG-GFCCVEGCSA-N 1 0 317.414 3.117 20 5 DGBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccco1 ZINC000413284567 529375656 /nfs/dbraw/zinc/37/56/56/529375656.db2.gz VKBIQUHJAHGJFN-MFKMUULPSA-N 1 0 322.340 3.263 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000317097265 231156354 /nfs/dbraw/zinc/15/63/54/231156354.db2.gz BFCDDLVOWUJPTK-WCQYABFASA-N 1 0 300.362 3.038 20 5 DGBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000319343720 231182861 /nfs/dbraw/zinc/18/28/61/231182861.db2.gz PDNBIAUJMDYYFW-JSGCOSHPSA-N 1 0 310.369 3.249 20 5 DGBDRO CC[C@@H](C)[C@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302196631 529424003 /nfs/dbraw/zinc/42/40/03/529424003.db2.gz STGVHLVLNCOCGW-QLJPJBMISA-N 1 0 303.362 3.270 20 5 DGBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000428431124 529575263 /nfs/dbraw/zinc/57/52/63/529575263.db2.gz KSGJADNOGVQINJ-QGZVFWFLSA-N 1 0 316.357 3.202 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](C)CO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000166469282 197693294 /nfs/dbraw/zinc/69/32/94/197693294.db2.gz VGMYFRQPPPZERL-KBRIMQKVSA-N 1 0 322.405 3.220 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000090453654 185297252 /nfs/dbraw/zinc/29/72/52/185297252.db2.gz NAIUAXKDIIISOP-GDBMZVCRSA-N 1 0 314.389 3.306 20 5 DGBDRO CCC[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000090453655 185297412 /nfs/dbraw/zinc/29/74/12/185297412.db2.gz NAIUAXKDIIISOP-HOCLYGCPSA-N 1 0 314.389 3.306 20 5 DGBDRO CC(C)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000090537828 185301718 /nfs/dbraw/zinc/30/17/18/185301718.db2.gz PQSAKLWWQJFRGM-MRXNPFEDSA-N 1 0 302.378 3.168 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090540926 185301887 /nfs/dbraw/zinc/30/18/87/185301887.db2.gz QSHJJFZWMJHHGR-DUVNUKRYSA-N 1 0 322.430 3.300 20 5 DGBDRO CC[C@H](O)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433284175 529690305 /nfs/dbraw/zinc/69/03/05/529690305.db2.gz JLFZHTJDDHXMNP-BBRMVZONSA-N 1 0 306.406 3.458 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413106537 529690496 /nfs/dbraw/zinc/69/04/96/529690496.db2.gz BCZPPHUWJOFJIA-VIFPVBQESA-N 1 0 320.315 3.151 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2CO)s1 ZINC000092470857 185320788 /nfs/dbraw/zinc/32/07/88/185320788.db2.gz BPHYPLFSGNMRAP-GFCCVEGCSA-N 1 0 318.398 3.280 20 5 DGBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])c2cnccc12)C1CC1 ZINC000413344430 529884399 /nfs/dbraw/zinc/88/43/99/529884399.db2.gz CUCPNSZAUYHRKK-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[N@H+](CCCNc1ncc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000413053062 529892103 /nfs/dbraw/zinc/89/21/03/529892103.db2.gz ZKOPZQDCUUMVAG-UHFFFAOYSA-N 1 0 310.373 3.195 20 5 DGBDRO C[N@H+](CCOc1c(F)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000418953452 529924884 /nfs/dbraw/zinc/92/48/84/529924884.db2.gz URUWVYKVRBIFOR-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO C[NH+]1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000429211728 530050559 /nfs/dbraw/zinc/05/05/59/530050559.db2.gz YHSXSICTZSETOW-UHFFFAOYSA-N 1 0 304.177 3.408 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCOCC(F)(F)F)C2CC2)cc1 ZINC000130043412 432013532 /nfs/dbraw/zinc/01/35/32/432013532.db2.gz XRKXYCRNAMHDHK-UHFFFAOYSA-N 1 0 318.295 3.138 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC(C)(C)C1 ZINC000119250894 185714204 /nfs/dbraw/zinc/71/42/04/185714204.db2.gz JDUOLHSWHPRZQP-ZFWWWQNUSA-N 1 0 306.406 3.463 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000279995796 215299270 /nfs/dbraw/zinc/29/92/70/215299270.db2.gz JBGSHEGJLLUBRL-QGZVFWFLSA-N 1 0 322.405 3.119 20 5 DGBDRO C[NH+]1CCC(C)(CNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000272472354 209877856 /nfs/dbraw/zinc/87/78/56/209877856.db2.gz NGPMOARDIFLIJK-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000150745443 186062490 /nfs/dbraw/zinc/06/24/90/186062490.db2.gz FEFFPEIJMHHNPN-CYBMUJFWSA-N 1 0 305.378 3.188 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccccn2)cc1[N+](=O)[O-] ZINC000152532331 186082622 /nfs/dbraw/zinc/08/26/22/186082622.db2.gz OTUIOKSZNXULHS-ZDUSSCGKSA-N 1 0 315.373 3.282 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000173307868 186174787 /nfs/dbraw/zinc/17/47/87/186174787.db2.gz IBTGLHBEGWCDFZ-QLJPJBMISA-N 1 0 322.311 3.257 20 5 DGBDRO CCC(=O)c1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000280091128 215369342 /nfs/dbraw/zinc/36/93/42/215369342.db2.gz SQCCEOVPVJWOEW-UHFFFAOYSA-N 1 0 317.389 3.226 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000072726237 191223298 /nfs/dbraw/zinc/22/32/98/191223298.db2.gz FVKZPDUPHMTBES-INIZCTEOSA-N 1 0 315.373 3.115 20 5 DGBDRO CSCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244277 198309837 /nfs/dbraw/zinc/30/98/37/198309837.db2.gz HOFXIVGFZQUWOW-UHFFFAOYSA-N 1 0 310.419 3.191 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(F)c(F)c(F)c2)cc1 ZINC000067946499 432046901 /nfs/dbraw/zinc/04/69/01/432046901.db2.gz HVNVQZOSBNVLGP-UHFFFAOYSA-N 1 0 310.275 3.344 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000132901471 432054475 /nfs/dbraw/zinc/05/44/75/432054475.db2.gz PMGJZABTRKUKAO-LBPRGKRZSA-N 1 0 323.393 3.079 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000179424820 432057409 /nfs/dbraw/zinc/05/74/09/432057409.db2.gz XLUFTXSDUVKGGK-OCCSQVGLSA-N 1 0 324.421 3.441 20 5 DGBDRO [NH3+]C1(c2noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n2)CCCC1 ZINC000166154891 432058704 /nfs/dbraw/zinc/05/87/04/432058704.db2.gz YHVMZNQQFKGEEK-UHFFFAOYSA-N 1 0 308.725 3.026 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000276916716 213173721 /nfs/dbraw/zinc/17/37/21/213173721.db2.gz PYSPECUGHQDPEF-LRDDRELGSA-N 1 0 324.421 3.440 20 5 DGBDRO C[C@@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCO1 ZINC000167024291 432063522 /nfs/dbraw/zinc/06/35/22/432063522.db2.gz NFAUVCKHHUTLTC-RDJZCZTQSA-N 1 0 304.390 3.075 20 5 DGBDRO CCCN(CC[NH+]1CCCCCC1)c1ncccc1[N+](=O)[O-] ZINC000341062357 283258397 /nfs/dbraw/zinc/25/83/97/283258397.db2.gz IZMBRGKNXFAUSF-UHFFFAOYSA-N 1 0 306.410 3.082 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2CCOCC2)cc1[N+](=O)[O-] ZINC000179414963 199031670 /nfs/dbraw/zinc/03/16/70/199031670.db2.gz LFAQAEQKLFFXAS-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000276689956 213047560 /nfs/dbraw/zinc/04/75/60/213047560.db2.gz UOARDRYLTXQGNN-BFHYXJOUSA-N 1 0 324.446 3.216 20 5 DGBDRO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCOC1 ZINC000180159740 199125028 /nfs/dbraw/zinc/12/50/28/199125028.db2.gz PLPITVTVVHIGSG-ZDUSSCGKSA-N 1 0 316.357 3.323 20 5 DGBDRO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180435343 199158702 /nfs/dbraw/zinc/15/87/02/199158702.db2.gz KUAJCQXMJJUJIR-MJBXVCDLSA-N 1 0 319.405 3.035 20 5 DGBDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000180038117 432076429 /nfs/dbraw/zinc/07/64/29/432076429.db2.gz VXYHAHXCIXEAQO-UHFFFAOYSA-N 1 0 308.378 3.007 20 5 DGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000185658735 199875270 /nfs/dbraw/zinc/87/52/70/199875270.db2.gz CXZXDJKHNTUXBJ-RISCZKNCSA-N 1 0 316.361 3.265 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000280798027 215874091 /nfs/dbraw/zinc/87/40/91/215874091.db2.gz VMHIZLPQNQRGLC-CABCVRRESA-N 1 0 317.389 3.226 20 5 DGBDRO [NH3+]CC1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420177886 283427775 /nfs/dbraw/zinc/42/77/75/283427775.db2.gz DGMFIKLOPHWJPV-UHFFFAOYSA-N 1 0 304.177 3.077 20 5 DGBDRO Cc1cccc2c1C[NH2+]CCN2Cc1csc([N+](=O)[O-])c1 ZINC000415097037 237076413 /nfs/dbraw/zinc/07/64/13/237076413.db2.gz FLCJUMQEFIXDDC-UHFFFAOYSA-N 1 0 303.387 3.075 20 5 DGBDRO C[C@@H]1CCCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000187975028 200185559 /nfs/dbraw/zinc/18/55/59/200185559.db2.gz CGGCEJQCGPAQLU-GFCCVEGCSA-N 1 0 316.361 3.267 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000420277715 237693570 /nfs/dbraw/zinc/69/35/70/237693570.db2.gz ITVVIDPQZHTUHJ-NXEZZACHSA-N 1 0 315.320 3.126 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCC1(O)CCC1)CCC2 ZINC000421858242 237769712 /nfs/dbraw/zinc/76/97/12/237769712.db2.gz PJFBOUCJTPJCME-MRXNPFEDSA-N 1 0 304.390 3.257 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000189295532 200377483 /nfs/dbraw/zinc/37/74/83/200377483.db2.gz VOIXTUKJOVJGNN-YQFWSFKMSA-N 1 0 318.417 3.057 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1CN(C)CC[NH+](C(C)C)C(C)C ZINC000430194269 238070722 /nfs/dbraw/zinc/07/07/22/238070722.db2.gz ISKYBDQCGDOWEM-UHFFFAOYSA-N 1 0 323.437 3.154 20 5 DGBDRO C[C@H]1[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CCC[N@@H+]1C ZINC000432144173 238119717 /nfs/dbraw/zinc/11/97/17/238119717.db2.gz VWGADGWWGIPJFN-AAEUAGOBSA-N 1 0 300.362 3.038 20 5 DGBDRO C[NH+](C)CC(C)(C)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433126146 238147612 /nfs/dbraw/zinc/14/76/12/238147612.db2.gz NGNBBVPSWQTCFV-INIZCTEOSA-N 1 0 319.449 3.495 20 5 DGBDRO C[C@H](C[NH3+])N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000435370561 238297252 /nfs/dbraw/zinc/29/72/52/238297252.db2.gz JJQAGVWNGRXKII-SNVBAGLBSA-N 1 0 323.780 3.287 20 5 DGBDRO Cc1nn(C(C)C)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000281374907 216258309 /nfs/dbraw/zinc/25/83/09/216258309.db2.gz NXTYASNSMWFWJD-UHFFFAOYSA-N 1 0 302.378 3.013 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)CCC2 ZINC000192885236 200956944 /nfs/dbraw/zinc/95/69/44/200956944.db2.gz SBGXOVUSXBXPCM-XOKHGSTOSA-N 1 0 304.390 3.113 20 5 DGBDRO COc1ccc(OCC[N@H+](CC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000441187326 239018989 /nfs/dbraw/zinc/01/89/89/239018989.db2.gz GCHQGCFHGXEEQX-UHFFFAOYSA-N 1 0 308.378 3.103 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2cncc(F)c2)C2CC2)c1 ZINC000281549932 216376097 /nfs/dbraw/zinc/37/60/97/216376097.db2.gz JFJIKUHTLJWJRD-QGZVFWFLSA-N 1 0 315.348 3.412 20 5 DGBDRO Cc1c(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000292897864 223298129 /nfs/dbraw/zinc/29/81/29/223298129.db2.gz AGWTUQDVGRWZSG-QGZVFWFLSA-N 1 0 306.406 3.134 20 5 DGBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000443317493 239189742 /nfs/dbraw/zinc/18/97/42/239189742.db2.gz XWGDPZBFLPLRTN-JRPNMDOOSA-N 1 0 312.797 3.230 20 5 DGBDRO O=[N+]([O-])c1cnc(NCc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000195508162 201397011 /nfs/dbraw/zinc/39/70/11/201397011.db2.gz PCSVURBSWHIBKU-UHFFFAOYSA-N 1 0 318.402 3.259 20 5 DGBDRO CC(C)[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275479939 212361747 /nfs/dbraw/zinc/36/17/47/212361747.db2.gz NLPUPDLBJYCKAJ-LLVKDONJSA-N 1 0 311.357 3.039 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCCCC1 ZINC000449114062 240024276 /nfs/dbraw/zinc/02/42/76/240024276.db2.gz CAFJUQOEXFJCFC-GUYCJALGSA-N 1 0 306.406 3.057 20 5 DGBDRO CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000449078058 240007242 /nfs/dbraw/zinc/00/72/42/240007242.db2.gz UAYIHTJJZUOTTE-CRAIPNDOSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCSCC(F)(F)F ZINC000449206254 240068309 /nfs/dbraw/zinc/06/83/09/240068309.db2.gz AIRINUJDHSVVOQ-SNVBAGLBSA-N 1 0 322.352 3.411 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000449294336 240115323 /nfs/dbraw/zinc/11/53/23/240115323.db2.gz YKBZMKMYBCIAQX-AWEZNQCLSA-N 1 0 318.417 3.058 20 5 DGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000075451183 283821088 /nfs/dbraw/zinc/82/10/88/283821088.db2.gz NCEHOTQUIZWVOJ-UHFFFAOYSA-N 1 0 321.421 3.035 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000449582864 240305269 /nfs/dbraw/zinc/30/52/69/240305269.db2.gz HISURYRJSZDRHQ-CYBMUJFWSA-N 1 0 316.405 3.173 20 5 DGBDRO CC(C)[C@H](CO)[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449515399 240261488 /nfs/dbraw/zinc/26/14/88/240261488.db2.gz YZUGCPUXXAOCAL-HFTRVMKXSA-N 1 0 322.449 3.405 20 5 DGBDRO CCn1ccnc1[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449561200 240290011 /nfs/dbraw/zinc/29/00/11/240290011.db2.gz BLJVYAYADJQCTL-WOLRVDTOSA-N 1 0 300.362 3.175 20 5 DGBDRO CCn1ccnc1[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449561199 240291168 /nfs/dbraw/zinc/29/11/68/240291168.db2.gz BLJVYAYADJQCTL-STMXVASLSA-N 1 0 300.362 3.175 20 5 DGBDRO CC[C@@H]1C[N@H+](CC)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449566970 240292089 /nfs/dbraw/zinc/29/20/89/240292089.db2.gz SPDIACPSSRSZAR-DZFYGRHCSA-N 1 0 303.406 3.024 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000449623542 240326820 /nfs/dbraw/zinc/32/68/20/240326820.db2.gz JPOLLNXEPUZPMZ-DDJMYBDESA-N 1 0 303.406 3.024 20 5 DGBDRO CCC[NH+](CCC)CCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000076225698 283832935 /nfs/dbraw/zinc/83/29/35/283832935.db2.gz SXHNOENRRWRHSB-UHFFFAOYSA-N 1 0 321.421 3.145 20 5 DGBDRO CCC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])COC1 ZINC000449598965 240314687 /nfs/dbraw/zinc/31/46/87/240314687.db2.gz JRDHUPHGMJEPEE-ZBFHGGJFSA-N 1 0 318.417 3.322 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](O)C3CCC3)o2)c1 ZINC000449739337 240391229 /nfs/dbraw/zinc/39/12/29/240391229.db2.gz KIJFSBNZYNPJDZ-MRXNPFEDSA-N 1 0 316.357 3.105 20 5 DGBDRO COc1cccnc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449749191 240397691 /nfs/dbraw/zinc/39/76/91/240397691.db2.gz OPOKVXITESUPGL-CYBMUJFWSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543763 241165274 /nfs/dbraw/zinc/16/52/74/241165274.db2.gz CQNMWXIVIFNJGI-UKRRQHHQSA-N 1 0 312.373 3.325 20 5 DGBDRO Cc1cnc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451544043 241165532 /nfs/dbraw/zinc/16/55/32/241165532.db2.gz DCWXXZOHPQSNLU-CQSZACIVSA-N 1 0 301.346 3.271 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCCN(CC[NH+]3CCCCC3)C2)cc1 ZINC000451548781 241169455 /nfs/dbraw/zinc/16/94/55/241169455.db2.gz OKUCYSXIVBSCRG-KRWDZBQOSA-N 1 0 317.433 3.260 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451706216 241214550 /nfs/dbraw/zinc/21/45/50/241214550.db2.gz LTWYLHWPNWBKCR-XUJVJEKNSA-N 1 0 324.808 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000451955377 241282797 /nfs/dbraw/zinc/28/27/97/241282797.db2.gz BDAJRNKDWIAZDM-INIZCTEOSA-N 1 0 306.431 3.356 20 5 DGBDRO C[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000171261828 432118509 /nfs/dbraw/zinc/11/85/09/432118509.db2.gz HBDAMDQTGRTRMB-XUXIUFHCSA-N 1 0 319.405 3.033 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1O ZINC000190059481 432119055 /nfs/dbraw/zinc/11/90/55/432119055.db2.gz IAHXVWCILFKLMX-WBMJQRKESA-N 1 0 316.357 3.058 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468619470 244055682 /nfs/dbraw/zinc/05/56/82/244055682.db2.gz GHLOZEBTMAHBKY-LTBFUDJGSA-N 1 0 306.406 3.386 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)OC(C)(C)C ZINC000468600110 244056143 /nfs/dbraw/zinc/05/61/43/244056143.db2.gz QLYSEDCBESDQIT-JLHYYAGUSA-N 1 0 320.389 3.320 20 5 DGBDRO CCN(CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)C ZINC000468645668 244059235 /nfs/dbraw/zinc/05/92/35/244059235.db2.gz QWIUAVSEOKCBFO-RVDMUPIBSA-N 1 0 305.422 3.318 20 5 DGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000471562098 244220076 /nfs/dbraw/zinc/22/00/76/244220076.db2.gz FJVBQBPYCYBDKZ-NSHDSACASA-N 1 0 311.813 3.415 20 5 DGBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000472299704 244296031 /nfs/dbraw/zinc/29/60/31/244296031.db2.gz VNJMLXNCQBPZRI-LBPRGKRZSA-N 1 0 308.378 3.103 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@H]4CCC[C@@H]43)o2)c1 ZINC000472562119 244309262 /nfs/dbraw/zinc/30/92/62/244309262.db2.gz HBXZLDLABHURQY-HIFRSBDPSA-N 1 0 313.357 3.277 20 5 DGBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000119219933 284137793 /nfs/dbraw/zinc/13/77/93/284137793.db2.gz LZKIOFYFEAWEBK-LBPRGKRZSA-N 1 0 311.813 3.022 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000093213995 193217578 /nfs/dbraw/zinc/21/75/78/193217578.db2.gz JWMRNFYNZFJGFM-BDAKNGLRSA-N 1 0 314.183 3.039 20 5 DGBDRO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000093304097 193227970 /nfs/dbraw/zinc/22/79/70/193227970.db2.gz FSVVJSYFGLIDPA-OAHLLOKOSA-N 1 0 314.385 3.368 20 5 DGBDRO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000093302965 193226567 /nfs/dbraw/zinc/22/65/67/193226567.db2.gz WLRCPZDQCDUOFA-HNNXBMFYSA-N 1 0 314.385 3.368 20 5 DGBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000120114327 284161428 /nfs/dbraw/zinc/16/14/28/284161428.db2.gz MRZFWGSUPHBNCO-WFASDCNBSA-N 1 0 319.405 3.094 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccncc2)cc(C(F)(F)F)c1 ZINC000487172634 245029780 /nfs/dbraw/zinc/02/97/80/245029780.db2.gz MQWFKNRIEGYRBG-UHFFFAOYSA-N 1 0 311.263 3.298 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000488435895 245191671 /nfs/dbraw/zinc/19/16/71/245191671.db2.gz SQOVFJMAFBJAHR-DOMZBBRYSA-N 1 0 310.419 3.223 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488718919 245220734 /nfs/dbraw/zinc/22/07/34/245220734.db2.gz HNQQUWRRCIVKNQ-JGGQBBKZSA-N 1 0 303.406 3.070 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)cccc1[N+](=O)[O-] ZINC000271737807 209168417 /nfs/dbraw/zinc/16/84/17/209168417.db2.gz PURVZYCUFMBOHJ-ZIAGYGMSSA-N 1 0 320.389 3.240 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000490313610 245395487 /nfs/dbraw/zinc/39/54/87/245395487.db2.gz FYNKYGZGAATWBQ-LSDHHAIUSA-N 1 0 303.406 3.216 20 5 DGBDRO CCOC(=O)CCCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282516407 217054770 /nfs/dbraw/zinc/05/47/70/217054770.db2.gz SRBIHPLJPIWLQT-UHFFFAOYSA-N 1 0 322.405 3.193 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178631 284352622 /nfs/dbraw/zinc/35/26/22/284352622.db2.gz LQKFVYKUJFROMZ-XBNGYDHASA-N 1 0 317.433 3.272 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCSC1 ZINC000288477171 220166670 /nfs/dbraw/zinc/16/66/70/220166670.db2.gz PLXITHKGKOMJAZ-LBPRGKRZSA-N 1 0 310.419 3.226 20 5 DGBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000282974842 217362527 /nfs/dbraw/zinc/36/25/27/217362527.db2.gz LOBXNWUZFIKJMO-KRWDZBQOSA-N 1 0 300.358 3.035 20 5 DGBDRO CC[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775124 432130743 /nfs/dbraw/zinc/13/07/43/432130743.db2.gz NMSSVPCCDBGELC-BBWFWOEESA-N 1 0 303.406 3.262 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266924242 205679101 /nfs/dbraw/zinc/67/91/01/205679101.db2.gz ZDSWDEXIWGBFBH-BZNIZROVSA-N 1 0 304.321 3.118 20 5 DGBDRO CCOCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000181487481 432131382 /nfs/dbraw/zinc/13/13/82/432131382.db2.gz PBSLGXPEKJUHCS-UHFFFAOYSA-N 1 0 304.346 3.323 20 5 DGBDRO COC[C@@H](CC(C)C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495412171 246266741 /nfs/dbraw/zinc/26/67/41/246266741.db2.gz AHINLQBDKDCWIF-CQSZACIVSA-N 1 0 314.813 3.441 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000246474126 432136181 /nfs/dbraw/zinc/13/61/81/432136181.db2.gz QSHJJFZWMJHHGR-NOLJZWGESA-N 1 0 322.430 3.300 20 5 DGBDRO CCn1nc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000274469971 211641853 /nfs/dbraw/zinc/64/18/53/211641853.db2.gz VJYDPQVHPQSZHI-UHFFFAOYSA-N 1 0 324.384 3.297 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000268817047 432141331 /nfs/dbraw/zinc/14/13/31/432141331.db2.gz WJRZRGYMEAPHIA-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000268832542 432144624 /nfs/dbraw/zinc/14/46/24/432144624.db2.gz RGOPJJOEGCWXJI-BBRMVZONSA-N 1 0 302.378 3.311 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](C)Cn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000268832548 432144833 /nfs/dbraw/zinc/14/48/33/432144833.db2.gz RGOPJJOEGCWXJI-CZUORRHYSA-N 1 0 302.378 3.311 20 5 DGBDRO COCCCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268978323 432148865 /nfs/dbraw/zinc/14/88/65/432148865.db2.gz HJKUDBXXBQPADM-INIZCTEOSA-N 1 0 306.406 3.322 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000044502841 183416027 /nfs/dbraw/zinc/41/60/27/183416027.db2.gz JIBZMCIKKHWTLT-SECBINFHSA-N 1 0 303.284 3.025 20 5 DGBDRO [NH3+]C1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000051694146 183834420 /nfs/dbraw/zinc/83/44/20/183834420.db2.gz UYHQGRLTMUFHEB-UHFFFAOYSA-N 1 0 303.284 3.295 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000268846036 207013558 /nfs/dbraw/zinc/01/35/58/207013558.db2.gz VLWZIQVTAQVDJM-IUODEOHRSA-N 1 0 314.389 3.365 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000269058000 207207692 /nfs/dbraw/zinc/20/76/92/207207692.db2.gz STBULUNRRXSGGG-MLGOLLRUSA-N 1 0 318.373 3.141 20 5 DGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000062010325 184201196 /nfs/dbraw/zinc/20/11/96/184201196.db2.gz WVPPITUPTIPKLA-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000065535063 184362390 /nfs/dbraw/zinc/36/23/90/184362390.db2.gz NXTXOPCTFKRSIG-INIZCTEOSA-N 1 0 301.346 3.139 20 5 DGBDRO COC1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000302065317 533006077 /nfs/dbraw/zinc/00/60/77/533006077.db2.gz DYBOQDIQPFWFMC-UHFFFAOYSA-N 1 0 301.346 3.432 20 5 DGBDRO COc1ccc(OCC[N@H+](C)C(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000173590010 533014000 /nfs/dbraw/zinc/01/40/00/533014000.db2.gz MPFOVTALHDMPGK-UHFFFAOYSA-N 1 0 320.389 3.103 20 5 DGBDRO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000249063174 285051622 /nfs/dbraw/zinc/05/16/22/285051622.db2.gz PWZYOIAVQLWNRP-XBVQOTNRSA-N 1 0 318.417 3.463 20 5 DGBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC000249366964 285070037 /nfs/dbraw/zinc/07/00/37/285070037.db2.gz MRZFWGSUPHBNCO-DOMZBBRYSA-N 1 0 319.405 3.094 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000277095811 285076020 /nfs/dbraw/zinc/07/60/20/285076020.db2.gz LEWZWKSHODHORQ-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO CC1CCC([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000336969543 253028776 /nfs/dbraw/zinc/02/87/76/253028776.db2.gz BMLPFIBQRQGBNP-UHFFFAOYSA-N 1 0 319.405 3.434 20 5 DGBDRO CC(=O)Nc1ccccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000336872229 253016041 /nfs/dbraw/zinc/01/60/41/253016041.db2.gz LRXWNWIGQAGURC-UHFFFAOYSA-N 1 0 313.357 3.151 20 5 DGBDRO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000337210958 253062598 /nfs/dbraw/zinc/06/25/98/253062598.db2.gz AEZSPROSEKCVHG-CYBMUJFWSA-N 1 0 310.357 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)c(Cl)c1 ZINC000337310655 253083539 /nfs/dbraw/zinc/08/35/39/253083539.db2.gz UTKKMYPGLKLEOP-VXGBXAGGSA-N 1 0 320.723 3.498 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000337557316 253138845 /nfs/dbraw/zinc/13/88/45/253138845.db2.gz SDSZKUSFTXQEIV-TVYUQYBPSA-N 1 0 300.305 3.406 20 5 DGBDRO C[C@H](CO)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270254502 208318769 /nfs/dbraw/zinc/31/87/69/208318769.db2.gz GUEFQZXZQQQUDA-ZDUSSCGKSA-N 1 0 318.373 3.353 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269408794 285096097 /nfs/dbraw/zinc/09/60/97/285096097.db2.gz IOUYHBAJYXAWSP-SWLSCSKDSA-N 1 0 319.380 3.187 20 5 DGBDRO Cc1cnc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000273011031 210389924 /nfs/dbraw/zinc/38/99/24/210389924.db2.gz SDGISJILQFLEAM-UONOGXRCSA-N 1 0 318.421 3.363 20 5 DGBDRO C[C@H]1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000338482711 253295701 /nfs/dbraw/zinc/29/57/01/253295701.db2.gz GJEADUUKANLAOR-RYUDHWBXSA-N 1 0 310.369 3.417 20 5 DGBDRO C[NH+](C)CCSCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338555050 253309992 /nfs/dbraw/zinc/30/99/92/253309992.db2.gz RLEAHSGBPLIROQ-UHFFFAOYSA-N 1 0 308.325 3.408 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289638551 285112131 /nfs/dbraw/zinc/11/21/31/285112131.db2.gz SFXWVVUXBBZFKH-HZPDHXFCSA-N 1 0 302.374 3.128 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000338631520 253323012 /nfs/dbraw/zinc/32/30/12/253323012.db2.gz GAVJNVBDEHGXNL-CQSZACIVSA-N 1 0 321.402 3.380 20 5 DGBDRO Cc1ccc(CCC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000338954951 253377674 /nfs/dbraw/zinc/37/76/74/253377674.db2.gz RTBHLUIOGXJUAP-UHFFFAOYSA-N 1 0 313.401 3.405 20 5 DGBDRO CC(C)[C@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000338962451 253380393 /nfs/dbraw/zinc/38/03/93/253380393.db2.gz IFFHFVXXNRPCJB-HNNXBMFYSA-N 1 0 306.410 3.302 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000288669261 220335273 /nfs/dbraw/zinc/33/52/73/220335273.db2.gz WHRVCSKIOTZYJU-SUMWQHHRSA-N 1 0 300.358 3.115 20 5 DGBDRO O=[N+]([O-])c1ccc([O-])cc1CNC1(c2ccc(F)cc2)CC1 ZINC000339034772 253393552 /nfs/dbraw/zinc/39/35/52/253393552.db2.gz OQSHRAOTRMAISR-UHFFFAOYSA-N 1 0 302.305 3.218 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000150894969 285123746 /nfs/dbraw/zinc/12/37/46/285123746.db2.gz UWXDZENDOOYGTA-CYBMUJFWSA-N 1 0 307.369 3.189 20 5 DGBDRO Cc1nc(NC[C@H]2CCCC[N@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000301785657 229893820 /nfs/dbraw/zinc/89/38/20/229893820.db2.gz LOGGQKYYSXSWLE-CQSZACIVSA-N 1 0 306.410 3.221 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3cn[nH]c31)CCC2 ZINC000278639253 285144378 /nfs/dbraw/zinc/14/43/78/285144378.db2.gz HJWGVRKQMMOZIQ-JKSUJKDBSA-N 1 0 312.373 3.363 20 5 DGBDRO CCC[NH+](CCC)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340668055 253664789 /nfs/dbraw/zinc/66/47/89/253664789.db2.gz AMJCZTAYYQOYLS-UHFFFAOYSA-N 1 0 307.394 3.436 20 5 DGBDRO CCC[C@@H]([NH2+]CCc1nccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000340488391 253630314 /nfs/dbraw/zinc/63/03/14/253630314.db2.gz HSXNLYNYACQCHI-QGZVFWFLSA-N 1 0 314.389 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCCC2)c2cccnc21 ZINC000340918446 253709612 /nfs/dbraw/zinc/70/96/12/253709612.db2.gz PWDHVNKBLQRPTB-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000158186994 197251734 /nfs/dbraw/zinc/25/17/34/197251734.db2.gz XBIKEJDUHWNPFI-SJLPKXTDSA-N 1 0 314.385 3.239 20 5 DGBDRO COCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130040635 285163982 /nfs/dbraw/zinc/16/39/82/285163982.db2.gz NIUHCCQEFBCXTB-SQWLQELKSA-N 1 0 306.406 3.321 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000183346231 285162012 /nfs/dbraw/zinc/16/20/12/285162012.db2.gz TXKSXGMOZVQGGA-OIISXLGYSA-N 1 0 318.417 3.465 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000157735980 197211836 /nfs/dbraw/zinc/21/18/36/197211836.db2.gz VSHQYBPWYJAQRG-OAHLLOKOSA-N 1 0 320.780 3.282 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@H]1CCCO1 ZINC000342601549 254017199 /nfs/dbraw/zinc/01/71/99/254017199.db2.gz WHHUJSOEIVCCBM-MRXNPFEDSA-N 1 0 322.405 3.383 20 5 DGBDRO CN(Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1[N+](=O)[O-] ZINC000342795601 254051941 /nfs/dbraw/zinc/05/19/41/254051941.db2.gz XPHBXIQASXFOHV-UHFFFAOYSA-N 1 0 314.389 3.314 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000157649472 197204861 /nfs/dbraw/zinc/20/48/61/197204861.db2.gz YCGCULSZNLZWEF-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO CC(=O)c1cc(NCC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000342846687 254064905 /nfs/dbraw/zinc/06/49/05/254064905.db2.gz FDSJXEHQAQMSSM-CYBMUJFWSA-N 1 0 319.405 3.474 20 5 DGBDRO Cc1cnc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000343103082 254099962 /nfs/dbraw/zinc/09/99/62/254099962.db2.gz OBRZLBCVVRJMIH-BBRMVZONSA-N 1 0 314.389 3.402 20 5 DGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000343757517 254185337 /nfs/dbraw/zinc/18/53/37/254185337.db2.gz GFUPEJDAPRQKAD-UHFFFAOYSA-N 1 0 303.362 3.146 20 5 DGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccc(F)cc1[N+](=O)[O-] ZINC000343804711 254190831 /nfs/dbraw/zinc/19/08/31/254190831.db2.gz GTRFICGOQCCBGQ-UHFFFAOYSA-N 1 0 321.352 3.285 20 5 DGBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000343976828 254208611 /nfs/dbraw/zinc/20/86/11/254208611.db2.gz RTEJMSRZPFUXSB-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000343888007 254200228 /nfs/dbraw/zinc/20/02/28/254200228.db2.gz UDFUFZWIXGQTKG-UONOGXRCSA-N 1 0 319.405 3.434 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000344054513 254218806 /nfs/dbraw/zinc/21/88/06/254218806.db2.gz JACNVHWARXLKNE-CQSZACIVSA-N 1 0 317.389 3.212 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000344109573 254226440 /nfs/dbraw/zinc/22/64/40/254226440.db2.gz SSCZXPQFCAUOSK-CVEARBPZSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344153643 254232855 /nfs/dbraw/zinc/23/28/55/254232855.db2.gz YCVINXRQYFQZTO-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344201922 254238912 /nfs/dbraw/zinc/23/89/12/254238912.db2.gz ACTNZXAIBZEBDX-CMPLNLGQSA-N 1 0 300.786 3.135 20 5 DGBDRO CC[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344212477 254239758 /nfs/dbraw/zinc/23/97/58/254239758.db2.gz DEPDBFBOBQNTPC-SUMWQHHRSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344212476 254239825 /nfs/dbraw/zinc/23/98/25/254239825.db2.gz DEPDBFBOBQNTPC-GUYCJALGSA-N 1 0 319.405 3.352 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCCS1 ZINC000344320255 254256239 /nfs/dbraw/zinc/25/62/39/254256239.db2.gz CEBVQZVJTNUBTE-CQSZACIVSA-N 1 0 310.419 3.369 20 5 DGBDRO Cc1nc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(C)o1 ZINC000344334529 254258636 /nfs/dbraw/zinc/25/86/36/254258636.db2.gz QIYDMQHPDOCOGE-UHFFFAOYSA-N 1 0 309.753 3.185 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c([N+](=O)[O-])cc1O ZINC000344359986 254261696 /nfs/dbraw/zinc/26/16/96/254261696.db2.gz NMMYLVNKDNJOMH-MBNYWOFBSA-N 1 0 320.389 3.367 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1O ZINC000344359989 254262012 /nfs/dbraw/zinc/26/20/12/254262012.db2.gz NMMYLVNKDNJOMH-YRGRVCCFSA-N 1 0 320.389 3.367 20 5 DGBDRO CCC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000344738819 254301024 /nfs/dbraw/zinc/30/10/24/254301024.db2.gz HVCOCEUDKGHQRI-ALCCZGGFSA-N 1 0 304.390 3.404 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)Cn1ccnc1 ZINC000344816333 254307887 /nfs/dbraw/zinc/30/78/87/254307887.db2.gz CRMVOYCONJLYTM-CKNOQMABSA-N 1 0 314.389 3.121 20 5 DGBDRO C[C@@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000156659224 197130966 /nfs/dbraw/zinc/13/09/66/197130966.db2.gz MORRXUCWFCTAQA-MRXNPFEDSA-N 1 0 320.776 3.246 20 5 DGBDRO CCC[NH+]1CCC(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000120709975 195222214 /nfs/dbraw/zinc/22/22/14/195222214.db2.gz BPPZXLIVMOGZTH-AWEZNQCLSA-N 1 0 305.422 3.428 20 5 DGBDRO CC(C)Cn1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000289650371 221129938 /nfs/dbraw/zinc/12/99/38/221129938.db2.gz XZMIASCAFFFOQV-UHFFFAOYSA-N 1 0 316.405 3.122 20 5 DGBDRO COc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000352539323 285354703 /nfs/dbraw/zinc/35/47/03/285354703.db2.gz XFQDVRYTLXGEFW-UHFFFAOYSA-N 1 0 300.358 3.278 20 5 DGBDRO CCC(O)(CC)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121889400 195368402 /nfs/dbraw/zinc/36/84/02/195368402.db2.gz UKAPHKSBFJKLJV-OAHLLOKOSA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271620881 209067036 /nfs/dbraw/zinc/06/70/36/209067036.db2.gz DCGKBXHYPGLJQF-DYVFJYSZSA-N 1 0 300.358 3.287 20 5 DGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181377890 533372331 /nfs/dbraw/zinc/37/23/31/533372331.db2.gz FVFLAQXLFSIFSF-CYBMUJFWSA-N 1 0 313.357 3.274 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449574755 533384197 /nfs/dbraw/zinc/38/41/97/533384197.db2.gz VZFSAVOXGBCBOA-KXWHGCDGSA-N 1 0 312.373 3.490 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449578473 533385205 /nfs/dbraw/zinc/38/52/05/533385205.db2.gz MTAUQGBHHZFFQE-OUOSUHLLSA-N 1 0 304.390 3.139 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000488570577 533406605 /nfs/dbraw/zinc/40/66/05/533406605.db2.gz DLAOHXHCCWAFDA-KAPURRDVSA-N 1 0 317.433 3.270 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000468620376 533409118 /nfs/dbraw/zinc/40/91/18/533409118.db2.gz SIHZQMHXSNHCIV-XLQKBUROSA-N 1 0 304.390 3.403 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000468616105 533410193 /nfs/dbraw/zinc/41/01/93/533410193.db2.gz AZSACAYUEQYWFP-UJDGICINSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1 ZINC000296723940 533504978 /nfs/dbraw/zinc/50/49/78/533504978.db2.gz NHQQTMLEOAECAZ-QWHCGFSZSA-N 1 0 319.405 3.083 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)C1CCCCC1 ZINC000595041101 400085682 /nfs/dbraw/zinc/08/56/82/400085682.db2.gz QYWYCJORQHLRJP-MLGOLLRUSA-N 1 0 322.405 3.195 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)C1CCCCC1 ZINC000595041100 400085820 /nfs/dbraw/zinc/08/58/20/400085820.db2.gz QYWYCJORQHLRJP-LRDDRELGSA-N 1 0 322.405 3.195 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H](O)C(C)C ZINC000595043896 400087321 /nfs/dbraw/zinc/08/73/21/400087321.db2.gz BHRBETNWCZGZQS-PJODQICGSA-N 1 0 310.394 3.050 20 5 DGBDRO COCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000595050040 400089096 /nfs/dbraw/zinc/08/90/96/400089096.db2.gz FCYLKTWCGSDYRS-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000595049496 400089134 /nfs/dbraw/zinc/08/91/34/400089134.db2.gz CPTOKJBAJNUKLO-VOAKCMCISA-N 1 0 308.378 3.068 20 5 DGBDRO Cc1c([C@H](C)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595057531 400094174 /nfs/dbraw/zinc/09/41/74/400094174.db2.gz ZIVMICHOUHALGF-KBPBESRZSA-N 1 0 305.422 3.427 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595292590 400118368 /nfs/dbraw/zinc/11/83/68/400118368.db2.gz AYTHJFYSPFYXKN-AWEZNQCLSA-N 1 0 319.336 3.237 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@H](CO)CC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000595087755 400101434 /nfs/dbraw/zinc/10/14/34/400101434.db2.gz CUCMAUXMIJYPBZ-DYVFJYSZSA-N 1 0 318.417 3.315 20 5 DGBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1nccn1C ZINC000595109869 400109275 /nfs/dbraw/zinc/10/92/75/400109275.db2.gz WHNLEEKWSCQVSP-WFASDCNBSA-N 1 0 314.389 3.000 20 5 DGBDRO CC(C)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000303640003 400109757 /nfs/dbraw/zinc/10/97/57/400109757.db2.gz QSRWXRCIRGJRBZ-CQSZACIVSA-N 1 0 319.405 3.291 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1nccc(C)c1[N+](=O)[O-])CC(C)C ZINC000303735992 400112930 /nfs/dbraw/zinc/11/29/30/400112930.db2.gz WQHHIXRQOVVNDF-AWEZNQCLSA-N 1 0 308.426 3.467 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000595023860 400079650 /nfs/dbraw/zinc/07/96/50/400079650.db2.gz YZXGSRLYDYLTPA-QWHCGFSZSA-N 1 0 320.389 3.356 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CC(C)(C)OC ZINC000595024840 400079761 /nfs/dbraw/zinc/07/97/61/400079761.db2.gz HMKMDVJWQACRJV-NWDGAFQWSA-N 1 0 310.394 3.458 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000595028657 400081950 /nfs/dbraw/zinc/08/19/50/400081950.db2.gz WTJBDZMODGYAJJ-RNJOBUHISA-N 1 0 308.378 3.210 20 5 DGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000090910188 400082391 /nfs/dbraw/zinc/08/23/91/400082391.db2.gz OGFLRNRTWZRHHT-GFCCVEGCSA-N 1 0 314.341 3.217 20 5 DGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000090909903 400082597 /nfs/dbraw/zinc/08/25/97/400082597.db2.gz YHAMEZBNARYQBI-GFCCVEGCSA-N 1 0 315.329 3.396 20 5 DGBDRO COCCC(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033101 400082758 /nfs/dbraw/zinc/08/27/58/400082758.db2.gz PTKJSYKURCNVMI-LBPRGKRZSA-N 1 0 310.394 3.317 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000595031966 400083028 /nfs/dbraw/zinc/08/30/28/400083028.db2.gz KEDIONUTCHZSDM-GHJWDPDVSA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000595037318 400084960 /nfs/dbraw/zinc/08/49/60/400084960.db2.gz DVMVKBKUZBAJFM-GHMZBOCLSA-N 1 0 317.345 3.116 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[NH2+]1 ZINC000092454807 400173676 /nfs/dbraw/zinc/17/36/76/400173676.db2.gz PMVLYEDLYLUQJV-LBPRGKRZSA-N 1 0 317.414 3.117 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCCCCCC3)o2)cc1 ZINC000016484739 400174542 /nfs/dbraw/zinc/17/45/42/400174542.db2.gz YWYIRKNULCLQNK-UHFFFAOYSA-N 1 0 316.361 3.411 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3CO)s2)cc1 ZINC000092470739 400175249 /nfs/dbraw/zinc/17/52/49/400175249.db2.gz VTQNNCGHXAAARP-CQSZACIVSA-N 1 0 318.398 3.280 20 5 DGBDRO CC[N@@H+]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536176 400179622 /nfs/dbraw/zinc/17/96/22/400179622.db2.gz OFJWPEHURKOYHL-GFCCVEGCSA-N 1 0 311.813 3.164 20 5 DGBDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000609599083 400180283 /nfs/dbraw/zinc/18/02/83/400180283.db2.gz KNKGBSFYGZDLQF-HNNXBMFYSA-N 1 0 314.341 3.217 20 5 DGBDRO CN1CCN(c2ccsc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000588053419 400184335 /nfs/dbraw/zinc/18/43/35/400184335.db2.gz PQRKNLSNXXOSQZ-CQSZACIVSA-N 1 0 317.414 3.019 20 5 DGBDRO CN1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000588053675 400184375 /nfs/dbraw/zinc/18/43/75/400184375.db2.gz UBNNRKAFRLLLQI-AWEZNQCLSA-N 1 0 317.414 3.019 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000595327897 400128746 /nfs/dbraw/zinc/12/87/46/400128746.db2.gz DQAGJSSMTOFOMR-INIZCTEOSA-N 1 0 321.396 3.184 20 5 DGBDRO Cc1noc(C[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000595338365 400130209 /nfs/dbraw/zinc/13/02/09/400130209.db2.gz RKQNOJXUFVQLIY-UKRRQHHQSA-N 1 0 315.373 3.344 20 5 DGBDRO CCOc1cc(NCC2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000315584963 400146797 /nfs/dbraw/zinc/14/67/97/400146797.db2.gz RBQJFRYHFQPDDY-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000092621884 400187105 /nfs/dbraw/zinc/18/71/05/400187105.db2.gz RHGIJBUZJDXIJG-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc(C3CC[NH2+]CC3)c2)c1 ZINC000600783303 400151875 /nfs/dbraw/zinc/15/18/75/400151875.db2.gz RQFZFCORCJXBLY-UHFFFAOYSA-N 1 0 312.369 3.221 20 5 DGBDRO CN(C)c1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000586773391 400153354 /nfs/dbraw/zinc/15/33/54/400153354.db2.gz MRZKMOQUPWJBNP-UHFFFAOYSA-N 1 0 313.401 3.335 20 5 DGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)c2ccncc21 ZINC000014327432 400156389 /nfs/dbraw/zinc/15/63/89/400156389.db2.gz UYAOXWYGCQKRFJ-UHFFFAOYSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000318243436 400157293 /nfs/dbraw/zinc/15/72/93/400157293.db2.gz JHODPCNOYOTSLB-FVQBIDKESA-N 1 0 304.390 3.196 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092642884 400187946 /nfs/dbraw/zinc/18/79/46/400187946.db2.gz HNWMVBUIKPIWLM-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(C)C ZINC000092641831 400188041 /nfs/dbraw/zinc/18/80/41/400188041.db2.gz WDTMRYNWFCWOHX-UHFFFAOYSA-N 1 0 317.336 3.338 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000320414492 400165651 /nfs/dbraw/zinc/16/56/51/400165651.db2.gz YDSSSIAOBFZDND-CYBMUJFWSA-N 1 0 314.389 3.285 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000609466567 400169474 /nfs/dbraw/zinc/16/94/74/400169474.db2.gz NAVKRDDAOGZINM-UHFFFAOYSA-N 1 0 311.341 3.245 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595706028 400237157 /nfs/dbraw/zinc/23/71/57/400237157.db2.gz WRGKYURGEMBWAT-RISCZKNCSA-N 1 0 312.797 3.231 20 5 DGBDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000588928096 400246664 /nfs/dbraw/zinc/24/66/64/400246664.db2.gz GNRICVZVFDOMOE-CQSZACIVSA-N 1 0 318.373 3.209 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000588928711 400246862 /nfs/dbraw/zinc/24/68/62/400246862.db2.gz LDYCPNDIZBQWNR-CQSZACIVSA-N 1 0 320.776 3.114 20 5 DGBDRO C[C@@H]1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000093503330 400247805 /nfs/dbraw/zinc/24/78/05/400247805.db2.gz KOCSIJRUNJBSLE-CHWSQXEVSA-N 1 0 314.389 3.083 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000026161174 400253572 /nfs/dbraw/zinc/25/35/72/400253572.db2.gz UVJIMYHYILFLKA-STQMWFEESA-N 1 0 319.405 3.210 20 5 DGBDRO Cc1c(NC(=O)CC[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000026161378 400253796 /nfs/dbraw/zinc/25/37/96/400253796.db2.gz DXBYCEXXRYXORM-STQMWFEESA-N 1 0 319.405 3.210 20 5 DGBDRO CC[C@H](C)[N@H+](CC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595599454 400199232 /nfs/dbraw/zinc/19/92/32/400199232.db2.gz LWHNDKZOMWQFFR-LBPRGKRZSA-N 1 0 323.393 3.052 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](CO)C3)s2)cc1 ZINC000092763328 400202950 /nfs/dbraw/zinc/20/29/50/400202950.db2.gz BSYAGTYDVUCNPF-LBPRGKRZSA-N 1 0 318.398 3.138 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000092976805 400218777 /nfs/dbraw/zinc/21/87/77/400218777.db2.gz VLXGRDVGOGVVIO-UHFFFAOYSA-N 1 0 312.373 3.318 20 5 DGBDRO C[C@H]1COC2(CCCC2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595814792 400267937 /nfs/dbraw/zinc/26/79/37/400267937.db2.gz JAARYUDNXBQBQT-AWEZNQCLSA-N 1 0 304.390 3.171 20 5 DGBDRO Cc1cccc(C[N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])s3)C2)c1 ZINC000601239457 400271719 /nfs/dbraw/zinc/27/17/19/400271719.db2.gz LDFADUYFICMQCM-CYBMUJFWSA-N 1 0 318.402 3.046 20 5 DGBDRO CCN(C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH+]1CCCC1 ZINC000589196989 400274129 /nfs/dbraw/zinc/27/41/29/400274129.db2.gz RJUPVHPMYQJIOL-YFHOEESVSA-N 1 0 317.433 3.416 20 5 DGBDRO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](O)C1CC1 ZINC000589198261 400275317 /nfs/dbraw/zinc/27/53/17/400275317.db2.gz XLOAQHGOHVBFDG-MRXNPFEDSA-N 1 0 316.357 3.058 20 5 DGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCCC1 ZINC000068664689 400277761 /nfs/dbraw/zinc/27/77/61/400277761.db2.gz BDAGGYUQOLIOMT-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccc(O)cc3)c2c1 ZINC000589210552 400278942 /nfs/dbraw/zinc/27/89/42/400278942.db2.gz ZVPJROYWNDYVOS-UHFFFAOYSA-N 1 0 311.341 3.114 20 5 DGBDRO COc1cccc(C2(NCc3onc(C)c3[N+](=O)[O-])CCC2)c1 ZINC000595855775 400282548 /nfs/dbraw/zinc/28/25/48/400282548.db2.gz ZSUIFCBSLFEHAP-UHFFFAOYSA-N 1 0 317.345 3.069 20 5 DGBDRO Cc1noc(C[N@H+](C)C[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000595881511 400286436 /nfs/dbraw/zinc/28/64/36/400286436.db2.gz SYRIIMFZSDVYQR-CYBMUJFWSA-N 1 0 301.346 3.053 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000610665218 400286873 /nfs/dbraw/zinc/28/68/73/400286873.db2.gz MFVMXOWZBCBSLI-INIZCTEOSA-N 1 0 314.389 3.109 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601306300 400287500 /nfs/dbraw/zinc/28/75/00/400287500.db2.gz FXYBTFQMVIIXDN-YUSALJHKSA-N 1 0 302.296 3.456 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000030269448 400323301 /nfs/dbraw/zinc/32/33/01/400323301.db2.gz JLODBIDXYANACH-SNVBAGLBSA-N 1 0 313.785 3.307 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000595910854 400292564 /nfs/dbraw/zinc/29/25/64/400292564.db2.gz SWSVVQPSUUGWIU-STQMWFEESA-N 1 0 319.405 3.208 20 5 DGBDRO COC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102418960 400297357 /nfs/dbraw/zinc/29/73/57/400297357.db2.gz WPHLNEAJPQCTJG-LLVKDONJSA-N 1 0 306.387 3.448 20 5 DGBDRO CCCC[C@H](C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589521553 400304330 /nfs/dbraw/zinc/30/43/30/400304330.db2.gz FVMHXEQPDCSNCN-LBPRGKRZSA-N 1 0 308.378 3.377 20 5 DGBDRO CC1CCC(O)(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000596057785 400306432 /nfs/dbraw/zinc/30/64/32/400306432.db2.gz AXRWCKNZKVMJTI-GQCTYLIASA-N 1 0 304.390 3.139 20 5 DGBDRO COc1cc(NCCC[NH+]2CCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596063759 400307400 /nfs/dbraw/zinc/30/74/00/400307400.db2.gz XMXBRGMUHDXTPF-UHFFFAOYSA-N 1 0 313.785 3.155 20 5 DGBDRO Cc1cc(N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000596080002 400310771 /nfs/dbraw/zinc/31/07/71/400310771.db2.gz CXCIKMMIQZWWSL-UHFFFAOYSA-N 1 0 309.435 3.277 20 5 DGBDRO CC1CCC(O)(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000596094313 400315085 /nfs/dbraw/zinc/31/50/85/400315085.db2.gz KADHPHQCTXVVTQ-YAJUMTOWSA-N 1 0 304.390 3.113 20 5 DGBDRO C[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094294 400315718 /nfs/dbraw/zinc/31/57/18/400315718.db2.gz JRYFJXFPWMMJBU-GDBMZVCRSA-N 1 0 317.433 3.367 20 5 DGBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000029873767 400317336 /nfs/dbraw/zinc/31/73/36/400317336.db2.gz BYSLTSUCAKVIGL-HNNXBMFYSA-N 1 0 322.365 3.035 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000069249794 400319346 /nfs/dbraw/zinc/31/93/46/400319346.db2.gz NITLFOMRUSZKHJ-OAHLLOKOSA-N 1 0 322.405 3.119 20 5 DGBDRO COc1cc(NC[C@@H](C)[N@H+](C)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596111041 400320036 /nfs/dbraw/zinc/32/00/36/400320036.db2.gz VNERMTOWAXXUDT-SECBINFHSA-N 1 0 313.785 3.151 20 5 DGBDRO CC(C)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000030148661 400321310 /nfs/dbraw/zinc/32/13/10/400321310.db2.gz SLKWBQRFYSHRFS-SNVBAGLBSA-N 1 0 313.785 3.163 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000595790842 400261066 /nfs/dbraw/zinc/26/10/66/400261066.db2.gz YUVIDQXBDJDTES-KRWDZBQOSA-N 1 0 304.390 3.376 20 5 DGBDRO CCC1CCC([N@H+](Cc2c([N+](=O)[O-])ncn2C)C2CC2)CC1 ZINC000610476251 400261478 /nfs/dbraw/zinc/26/14/78/400261478.db2.gz OMRMQAWIGBARFL-UHFFFAOYSA-N 1 0 306.410 3.262 20 5 DGBDRO C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000611335875 400379491 /nfs/dbraw/zinc/37/94/91/400379491.db2.gz HVIWGBNTYRLDKG-DEYYWGMASA-N 1 0 314.385 3.410 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000611370371 400385542 /nfs/dbraw/zinc/38/55/42/400385542.db2.gz JCUIGWAICHUMMH-XQQFMLRXSA-N 1 0 309.435 3.498 20 5 DGBDRO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000106439902 400326557 /nfs/dbraw/zinc/32/65/57/400326557.db2.gz GSGBAHGKMXKLIP-CHWSQXEVSA-N 1 0 319.405 3.432 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CC(C)C)C(C)C ZINC000031582021 400349914 /nfs/dbraw/zinc/34/99/14/400349914.db2.gz ZIQXMLAHSSJZBM-UHFFFAOYSA-N 1 0 307.394 3.208 20 5 DGBDRO COc1cc(C[NH+]2CCC(C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000590052928 400350466 /nfs/dbraw/zinc/35/04/66/400350466.db2.gz QILYQGCBQHYECM-UHFFFAOYSA-N 1 0 320.389 3.234 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000590079679 400353671 /nfs/dbraw/zinc/35/36/71/400353671.db2.gz IQKQLEDTEDBPOT-CYBMUJFWSA-N 1 0 314.389 3.110 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2cnc(C)s2)cc1[N+](=O)[O-] ZINC000611183972 400356259 /nfs/dbraw/zinc/35/62/59/400356259.db2.gz SHLHGPCKZOEVHS-SECBINFHSA-N 1 0 307.375 3.219 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596241219 400358239 /nfs/dbraw/zinc/35/82/39/400358239.db2.gz PHBPCUUEJVZZKM-LLVKDONJSA-N 1 0 309.435 3.275 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000596252796 400361387 /nfs/dbraw/zinc/36/13/87/400361387.db2.gz RYTYZDKCMIWIOE-UHFFFAOYSA-N 1 0 311.385 3.353 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000611248553 400364209 /nfs/dbraw/zinc/36/42/09/400364209.db2.gz SRFAYHJQDSRNJP-HZSPNIEDSA-N 1 0 322.405 3.459 20 5 DGBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254675 400365604 /nfs/dbraw/zinc/36/56/04/400365604.db2.gz WRJZNTSRBGOABT-CQSZACIVSA-N 1 0 320.389 3.377 20 5 DGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611254217 400365652 /nfs/dbraw/zinc/36/56/52/400365652.db2.gz UDAJLSHOURVWII-TZMCWYRMSA-N 1 0 320.389 3.377 20 5 DGBDRO C[C@H]1COCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611272401 400370789 /nfs/dbraw/zinc/37/07/89/400370789.db2.gz GZJPNKAXBNMJPU-ZDUSSCGKSA-N 1 0 316.357 3.466 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000596306955 400375674 /nfs/dbraw/zinc/37/56/74/400375674.db2.gz KALWQCUWHXOZJJ-SNVBAGLBSA-N 1 0 312.801 3.176 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000596306954 400375710 /nfs/dbraw/zinc/37/57/10/400375710.db2.gz KALWQCUWHXOZJJ-JTQLQIEISA-N 1 0 312.801 3.176 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000596308363 400376076 /nfs/dbraw/zinc/37/60/76/400376076.db2.gz RGWMCNUPVJRJMU-CYBMUJFWSA-N 1 0 306.410 3.139 20 5 DGBDRO CC[C@@H]([NH2+]CCc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000611439513 400402030 /nfs/dbraw/zinc/40/20/30/400402030.db2.gz YNUJBHZHIQPPJD-GOSISDBHSA-N 1 0 314.385 3.371 20 5 DGBDRO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611560190 400421299 /nfs/dbraw/zinc/42/12/99/400421299.db2.gz FSUYNRWNUYFXCO-MLGOLLRUSA-N 1 0 314.389 3.053 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000072945094 400418194 /nfs/dbraw/zinc/41/81/94/400418194.db2.gz YQJYDILQBMOINA-GJZGRUSLSA-N 1 0 318.421 3.081 20 5 DGBDRO C[C@H](Nc1cccnc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611583545 400427225 /nfs/dbraw/zinc/42/72/25/400427225.db2.gz MZZKANLJLYRKRQ-QWHCGFSZSA-N 1 0 304.394 3.055 20 5 DGBDRO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120512275 400445969 /nfs/dbraw/zinc/44/59/69/400445969.db2.gz MOPTYXKZIYFJNT-ZDUSSCGKSA-N 1 0 313.357 3.193 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCN1 ZINC000591275681 400505324 /nfs/dbraw/zinc/50/53/24/400505324.db2.gz XCVSMHBQRRWCTQ-USXIJHARSA-N 1 0 317.433 3.038 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCCC[NH2+]2)o1 ZINC000591275650 400505867 /nfs/dbraw/zinc/50/58/67/400505867.db2.gz OUWVXTBJHLDAEO-ZDUSSCGKSA-N 1 0 315.373 3.087 20 5 DGBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000612194674 400506021 /nfs/dbraw/zinc/50/60/21/400506021.db2.gz HTTXHPXSRZFEEZ-MRXNPFEDSA-N 1 0 312.369 3.251 20 5 DGBDRO Cc1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc(C)[nH+]1 ZINC000128181310 400511410 /nfs/dbraw/zinc/51/14/10/400511410.db2.gz USNOAOPPIGLSET-UHFFFAOYSA-N 1 0 316.313 3.052 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061699 400480890 /nfs/dbraw/zinc/48/08/90/400480890.db2.gz DOVVIQZEFDSAJL-GXTWGEPZSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591061691 400480999 /nfs/dbraw/zinc/48/09/99/400480999.db2.gz DDHZTALIVFTBST-OCCSQVGLSA-N 1 0 317.389 3.044 20 5 DGBDRO CN(C(=O)C[N@H+](C)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000073957280 400481726 /nfs/dbraw/zinc/48/17/26/400481726.db2.gz SIJIPERAXRDECY-UHFFFAOYSA-N 1 0 319.405 3.070 20 5 DGBDRO C[C@@H](CCc1ccco1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602505912 400482826 /nfs/dbraw/zinc/48/28/26/400482826.db2.gz XCUGGUSBAQZPTC-NSHDSACASA-N 1 0 315.329 3.440 20 5 DGBDRO COCc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000602537429 400490784 /nfs/dbraw/zinc/49/07/84/400490784.db2.gz PGRFRMVXUBYWIX-UHFFFAOYSA-N 1 0 318.348 3.213 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1(O)CCCC1 ZINC000602546923 400493409 /nfs/dbraw/zinc/49/34/09/400493409.db2.gz NDIYPWIPCUMGSF-UHFFFAOYSA-N 1 0 318.295 3.008 20 5 DGBDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602557784 400496112 /nfs/dbraw/zinc/49/61/12/400496112.db2.gz IXKKCWDZKNAZSU-UWVGGRQHSA-N 1 0 320.311 3.110 20 5 DGBDRO CO[C@@H](C)c1nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000602564305 400498145 /nfs/dbraw/zinc/49/81/45/400498145.db2.gz LITRPHLWDSABSS-NSHDSACASA-N 1 0 321.402 3.091 20 5 DGBDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602564094 400498177 /nfs/dbraw/zinc/49/81/77/400498177.db2.gz LJQJAENCQKVEDL-RNCFNFMXSA-N 1 0 320.311 3.110 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133492357 400570936 /nfs/dbraw/zinc/57/09/36/400570936.db2.gz FPJIIUFXQUUNPF-NWDGAFQWSA-N 1 0 312.373 3.180 20 5 DGBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000602801152 400576960 /nfs/dbraw/zinc/57/69/60/400576960.db2.gz LGHPRLHFAFZYLX-AWEZNQCLSA-N 1 0 322.796 3.494 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444782 400526774 /nfs/dbraw/zinc/52/67/74/400526774.db2.gz WGJFSYJRDXLGPY-NEPJUHHUSA-N 1 0 309.797 3.074 20 5 DGBDRO CCCc1nc(C)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000602671782 400533227 /nfs/dbraw/zinc/53/32/27/400533227.db2.gz IKABGONGMACGHD-UHFFFAOYSA-N 1 0 303.362 3.176 20 5 DGBDRO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(F)(F)F ZINC000602690004 400539384 /nfs/dbraw/zinc/53/93/84/400539384.db2.gz HZGRCDCJIQHSJD-QMMMGPOBSA-N 1 0 317.267 3.414 20 5 DGBDRO C[C@@H](CC(C)(C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602688955 400539603 /nfs/dbraw/zinc/53/96/03/400539603.db2.gz UHJHEGHOHBWQLO-ZDUSSCGKSA-N 1 0 320.437 3.373 20 5 DGBDRO Cc1ccc([C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591582688 400542809 /nfs/dbraw/zinc/54/28/09/400542809.db2.gz UFTRWLMOPQWBQS-DZGCQCFKSA-N 1 0 303.406 3.229 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000602807122 400580390 /nfs/dbraw/zinc/58/03/90/400580390.db2.gz RVHQZBKRLPOMIV-UHFFFAOYSA-N 1 0 320.780 3.032 20 5 DGBDRO COCCC1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597182486 400580465 /nfs/dbraw/zinc/58/04/65/400580465.db2.gz CGRFZGIVSMOZNK-UHFFFAOYSA-N 1 0 316.357 3.323 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1cccs1)C(C)C ZINC000602762289 400566144 /nfs/dbraw/zinc/56/61/44/400566144.db2.gz FKTRMFFXOCMCLN-UHFFFAOYSA-N 1 0 308.407 3.072 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1cccc(F)c1)C(C)C ZINC000602763541 400566563 /nfs/dbraw/zinc/56/65/63/400566563.db2.gz LUPZAUBCRIANKH-UHFFFAOYSA-N 1 0 320.368 3.149 20 5 DGBDRO Cc1ncc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000597138251 400569253 /nfs/dbraw/zinc/56/92/53/400569253.db2.gz NOWMAHCLYVJORN-OAHLLOKOSA-N 1 0 314.389 3.016 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861337 400615217 /nfs/dbraw/zinc/61/52/17/400615217.db2.gz MSOZICYDOJJXBM-GJZGRUSLSA-N 1 0 305.422 3.462 20 5 DGBDRO Cc1ccccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743030 400629551 /nfs/dbraw/zinc/62/95/51/400629551.db2.gz AXFPOPTWOVOCFC-UHFFFAOYSA-N 1 0 311.385 3.225 20 5 DGBDRO CC(C)[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000618577846 400629856 /nfs/dbraw/zinc/62/98/56/400629856.db2.gz YJGDVTAHXYUDHB-CVEARBPZSA-N 1 0 306.406 3.357 20 5 DGBDRO COCC1(C2CCC2)C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000597195111 400583431 /nfs/dbraw/zinc/58/34/31/400583431.db2.gz CVQDIHWZDMBBCI-UHFFFAOYSA-N 1 0 304.390 3.152 20 5 DGBDRO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602839654 400588066 /nfs/dbraw/zinc/58/80/66/400588066.db2.gz IAYBFKWHQWFAIL-IMJJTQAJSA-N 1 0 304.390 3.199 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000597225277 400592100 /nfs/dbraw/zinc/59/21/00/400592100.db2.gz ALEHSPORIBCVBL-UHFFFAOYSA-N 1 0 316.401 3.294 20 5 DGBDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000597236112 400595015 /nfs/dbraw/zinc/59/50/15/400595015.db2.gz NXYJNEDOCJYYJY-NVXWUHKLSA-N 1 0 320.389 3.115 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000597254388 400600481 /nfs/dbraw/zinc/60/04/81/400600481.db2.gz BXGPSHHKSOMVIZ-NHYWBVRUSA-N 1 0 314.332 3.148 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c2ccncc21 ZINC000047272597 400608898 /nfs/dbraw/zinc/60/88/98/400608898.db2.gz LWJOJYPMVIWPMA-NVXWUHKLSA-N 1 0 312.373 3.182 20 5 DGBDRO CC[C@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592427657 400649272 /nfs/dbraw/zinc/64/92/72/400649272.db2.gz NNCJEYKMITWTQM-HOCLYGCPSA-N 1 0 305.422 3.277 20 5 DGBDRO C[C@@H]1SCC[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592397815 400645338 /nfs/dbraw/zinc/64/53/38/400645338.db2.gz FSVOQJQWQOCGHU-GLQYFDAESA-N 1 0 306.431 3.400 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCCCC1 ZINC000151881377 400676571 /nfs/dbraw/zinc/67/65/71/400676571.db2.gz HBFQPDGXSWPKGT-CVEARBPZSA-N 1 0 319.449 3.380 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000076951031 400681725 /nfs/dbraw/zinc/68/17/25/400681725.db2.gz QBFSICQYCQXJTC-LLVKDONJSA-N 1 0 304.350 3.265 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)CC1CCC1 ZINC000603429052 400686097 /nfs/dbraw/zinc/68/60/97/400686097.db2.gz MDVLRRQNZJWPQQ-OIQJVACTSA-N 1 0 304.390 3.139 20 5 DGBDRO Cc1c(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613389789 400707984 /nfs/dbraw/zinc/70/79/84/400707984.db2.gz QXORUUQQIAXRGB-SUMWQHHRSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1c(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613389788 400708169 /nfs/dbraw/zinc/70/81/69/400708169.db2.gz QXORUUQQIAXRGB-GUYCJALGSA-N 1 0 314.385 3.157 20 5 DGBDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000171842626 400807458 /nfs/dbraw/zinc/80/74/58/400807458.db2.gz ZIKPPVSRHZEXIP-QGZVFWFLSA-N 1 0 318.373 3.351 20 5 DGBDRO Cc1cnc(NCCCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000078631178 400816429 /nfs/dbraw/zinc/81/64/29/400816429.db2.gz ZJVOTEXFLDCDJR-CYBMUJFWSA-N 1 0 306.410 3.222 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000053898845 400801454 /nfs/dbraw/zinc/80/14/54/400801454.db2.gz OLMZBSDKEWZQOV-LBPRGKRZSA-N 1 0 305.378 3.106 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc2c1CCC2 ZINC000593596272 400877775 /nfs/dbraw/zinc/87/77/75/400877775.db2.gz ODLYNEHDOGOSEV-UHFFFAOYSA-N 1 0 312.369 3.382 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000174139182 400853409 /nfs/dbraw/zinc/85/34/09/400853409.db2.gz VBMYILPAGCAYLA-OLZOCXBDSA-N 1 0 319.405 3.480 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174139165 400853527 /nfs/dbraw/zinc/85/35/27/400853527.db2.gz VBMYILPAGCAYLA-STQMWFEESA-N 1 0 319.405 3.480 20 5 DGBDRO CCOc1cncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000598672388 400853547 /nfs/dbraw/zinc/85/35/47/400853547.db2.gz PCCMUJNLVZUCFN-UHFFFAOYSA-N 1 0 315.373 3.063 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000598680042 400856610 /nfs/dbraw/zinc/85/66/10/400856610.db2.gz RIDACHYMBMHLQU-ZJUUUORDSA-N 1 0 300.305 3.299 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000593989817 400937270 /nfs/dbraw/zinc/93/72/70/400937270.db2.gz XAAJZDKTEMDJQA-ZDUSSCGKSA-N 1 0 301.321 3.118 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000599055357 400941920 /nfs/dbraw/zinc/94/19/20/400941920.db2.gz FLJKJTLQBIFASN-OLZOCXBDSA-N 1 0 308.378 3.071 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)C1CC1 ZINC000599085684 400954881 /nfs/dbraw/zinc/95/48/81/400954881.db2.gz VDNCQKBZYXXROX-BQFCYCMXSA-N 1 0 316.401 3.073 20 5 DGBDRO C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069586 400948601 /nfs/dbraw/zinc/94/86/01/400948601.db2.gz HVZXIUGSXDYSBC-RDTXWAMCSA-N 1 0 317.433 3.294 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069300 400948981 /nfs/dbraw/zinc/94/89/81/400948981.db2.gz FKLKHOIQPPOHJZ-LSDHHAIUSA-N 1 0 305.422 3.286 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)COCC1CC1 ZINC000593682115 400891181 /nfs/dbraw/zinc/89/11/81/400891181.db2.gz MNWGYKBOYPOQSP-KGLIPLIRSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H](CCO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593694800 400893214 /nfs/dbraw/zinc/89/32/14/400893214.db2.gz TUQZLBJANLTFJR-GFCCVEGCSA-N 1 0 304.346 3.058 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619746185 400897148 /nfs/dbraw/zinc/89/71/48/400897148.db2.gz BJEMYYUMXDWAGG-WDEREUQCSA-N 1 0 319.386 3.334 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000619746183 400897364 /nfs/dbraw/zinc/89/73/64/400897364.db2.gz BJEMYYUMXDWAGG-MNOVXSKESA-N 1 0 319.386 3.334 20 5 DGBDRO C[C@@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000619844463 400909433 /nfs/dbraw/zinc/90/94/33/400909433.db2.gz ASQMEFDOHLSRHI-STQMWFEESA-N 1 0 306.410 3.158 20 5 DGBDRO Cc1ccc([C@@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965666 400914871 /nfs/dbraw/zinc/91/48/71/400914871.db2.gz OIMKDHOYCBBUOU-HIFRSBDPSA-N 1 0 305.422 3.427 20 5 DGBDRO COc1cccc([C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])OC)c1 ZINC000598986579 400920484 /nfs/dbraw/zinc/92/04/84/400920484.db2.gz DACOBVIKYHBBSS-KRWDZBQOSA-N 1 0 316.357 3.081 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCCOC1 ZINC000598985668 400921177 /nfs/dbraw/zinc/92/11/77/400921177.db2.gz YCHYRVVTOIMOMH-LTBFUDJGSA-N 1 0 304.390 3.404 20 5 DGBDRO O=[N+]([O-])c1ccccc1CNC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000598991992 400923177 /nfs/dbraw/zinc/92/31/77/400923177.db2.gz IDBWHPGNAIMOHT-MRXNPFEDSA-N 1 0 303.406 3.091 20 5 DGBDRO O=[N+]([O-])c1cc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)cs1 ZINC000598992419 400923500 /nfs/dbraw/zinc/92/35/00/400923500.db2.gz NHTZTRIWBHUPGN-CQSZACIVSA-N 1 0 309.435 3.153 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)cc1 ZINC000598993054 400923540 /nfs/dbraw/zinc/92/35/40/400923540.db2.gz QASFQOHUTHVJJH-KRWDZBQOSA-N 1 0 303.406 3.091 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000599013898 400926518 /nfs/dbraw/zinc/92/65/18/400926518.db2.gz AKUYWZFYHAMIAB-NNUKFRKNSA-N 1 0 302.330 3.122 20 5 DGBDRO CC[NH+](CC)CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599016104 400927579 /nfs/dbraw/zinc/92/75/79/400927579.db2.gz KNXMEPWXTQNOOU-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO CC(C)[N@H+](C)CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599021112 400928150 /nfs/dbraw/zinc/92/81/50/400928150.db2.gz DNCRKZISRRNVIZ-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO CC[NH+](CC)[C@H](C)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599020712 400928394 /nfs/dbraw/zinc/92/83/94/400928394.db2.gz AMKGMMOQYYRPNA-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CCC[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000599082898 400954040 /nfs/dbraw/zinc/95/40/40/400954040.db2.gz DXYIACRFGJLXNA-OAHLLOKOSA-N 1 0 301.346 3.326 20 5 DGBDRO COC(=O)CC1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000599024181 400930766 /nfs/dbraw/zinc/93/07/66/400930766.db2.gz MIXJYCYUKABEDJ-DNOWBOINSA-N 1 0 320.389 3.367 20 5 DGBDRO C[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000599039610 400934335 /nfs/dbraw/zinc/93/43/35/400934335.db2.gz BWEDFWMFAKFSIG-LLVKDONJSA-N 1 0 300.362 3.038 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000358196924 285995309 /nfs/dbraw/zinc/99/53/09/285995309.db2.gz FVHQWSMDLNCNTK-ZDUSSCGKSA-N 1 0 302.378 3.002 20 5 DGBDRO CC1(C)C[C@H]([NH2+]Cc2ccc[nH]c2=O)c2cc([N+](=O)[O-])ccc21 ZINC000599086946 400957202 /nfs/dbraw/zinc/95/72/02/400957202.db2.gz CRXABNUCVPUDLX-HNNXBMFYSA-N 1 0 313.357 3.208 20 5 DGBDRO O=c1[nH]cccc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000599087927 400957284 /nfs/dbraw/zinc/95/72/84/400957284.db2.gz NXVBLWVUCZMHFK-INIZCTEOSA-N 1 0 313.357 3.253 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599099004 400960586 /nfs/dbraw/zinc/96/05/86/400960586.db2.gz QQDNERAXIMHCAQ-ZDUSSCGKSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1cc(NC[C@@H](c2cccs2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000080585071 400964805 /nfs/dbraw/zinc/96/48/05/400964805.db2.gz CFCXPFBVWGRVRQ-LBPRGKRZSA-N 1 0 306.391 3.075 20 5 DGBDRO Cc1cc(NC[C@H](c2cccs2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000080585075 400964966 /nfs/dbraw/zinc/96/49/66/400964966.db2.gz CFCXPFBVWGRVRQ-GFCCVEGCSA-N 1 0 306.391 3.075 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCc2cccs2)CC1 ZINC000057141361 400974057 /nfs/dbraw/zinc/97/40/57/400974057.db2.gz AEDNVCHGEWLPMA-UHFFFAOYSA-N 1 0 317.414 3.021 20 5 DGBDRO COc1ccc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000599511869 401062474 /nfs/dbraw/zinc/06/24/74/401062474.db2.gz CNJFVTMOEXGXMD-PHIMTYICSA-N 1 0 314.332 3.327 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000255353987 401103620 /nfs/dbraw/zinc/10/36/20/401103620.db2.gz PDHZADZMBHZKCB-WRLNGNIRSA-N 1 0 315.417 3.026 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(n2ccnc2)CC1 ZINC000255586706 401105992 /nfs/dbraw/zinc/10/59/92/401105992.db2.gz YQEOMGGBXUGUON-HYXAFXHYSA-N 1 0 312.373 3.142 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000599672050 401108708 /nfs/dbraw/zinc/10/87/08/401108708.db2.gz ABEBWUJWFISXIY-UHFFFAOYSA-N 1 0 318.373 3.148 20 5 DGBDRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000599675150 401110368 /nfs/dbraw/zinc/11/03/68/401110368.db2.gz PDCBOMDEXYGQDU-YOEHRIQHSA-N 1 0 318.373 3.226 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594603336 401127467 /nfs/dbraw/zinc/12/74/67/401127467.db2.gz UHZGFPZGZAXXFB-IAGOWNOFSA-N 1 0 319.405 3.170 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)nc1 ZINC000060846869 401137423 /nfs/dbraw/zinc/13/74/23/401137423.db2.gz HCWNIQBIJBAFSG-ZDUSSCGKSA-N 1 0 318.402 3.300 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594510558 401088451 /nfs/dbraw/zinc/08/84/51/401088451.db2.gz MUWDDAVQABIALL-RISCZKNCSA-N 1 0 320.389 3.150 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599626992 401094133 /nfs/dbraw/zinc/09/41/33/401094133.db2.gz UERPGYALWNNMOA-FJZAXULXSA-N 1 0 322.405 3.284 20 5 DGBDRO CC(C)[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594518706 401095728 /nfs/dbraw/zinc/09/57/28/401095728.db2.gz KLVOERNKLCYBAO-CQSZACIVSA-N 1 0 322.405 3.298 20 5 DGBDRO C[NH+](C)CCc1ccc(CNc2sccc2[N+](=O)[O-])cc1 ZINC000615525952 401097540 /nfs/dbraw/zinc/09/75/40/401097540.db2.gz HWJKNUQQBDMBRK-UHFFFAOYSA-N 1 0 305.403 3.373 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000594520949 401098975 /nfs/dbraw/zinc/09/89/75/401098975.db2.gz RUICPJFBACJFEY-XYJFISCASA-N 1 0 315.417 3.189 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000281424383 401153762 /nfs/dbraw/zinc/15/37/62/401153762.db2.gz ZCIARNOGCKWANP-JZXOWHBKSA-N 1 0 318.417 3.419 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000615835322 401161371 /nfs/dbraw/zinc/16/13/71/401161371.db2.gz IWEBOUKARWVKDI-BAAYTWLHSA-N 1 0 304.390 3.093 20 5 DGBDRO Cc1cccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC(C)C)c1 ZINC000358265044 286014999 /nfs/dbraw/zinc/01/49/99/286014999.db2.gz JSLONSMMSMHLCN-UHFFFAOYSA-N 1 0 316.405 3.258 20 5 DGBDRO C[C@H]([NH2+]Cc1ccnn1CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000594925123 401193086 /nfs/dbraw/zinc/19/30/86/401193086.db2.gz KTHKSULYEHOHTC-LBPRGKRZSA-N 1 0 300.362 3.052 20 5 DGBDRO COCc1csc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000594936846 401198989 /nfs/dbraw/zinc/19/89/89/401198989.db2.gz FPMUKYQLGHYSEU-UHFFFAOYSA-N 1 0 306.387 3.401 20 5 DGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000063618429 401203155 /nfs/dbraw/zinc/20/31/55/401203155.db2.gz MUUHWRMXEILZGX-HNNXBMFYSA-N 1 0 306.362 3.082 20 5 DGBDRO COCCC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000600187984 401215511 /nfs/dbraw/zinc/21/55/11/401215511.db2.gz IHQGTZGBHIFIIN-GQCTYLIASA-N 1 0 304.390 3.357 20 5 DGBDRO O=[N+]([O-])c1cc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)cs1 ZINC000594977977 401216092 /nfs/dbraw/zinc/21/60/92/401216092.db2.gz OVVZBTZQTNKRLC-ZDUSSCGKSA-N 1 0 309.435 3.153 20 5 DGBDRO CCC(O)(CC)C[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000600215428 401226035 /nfs/dbraw/zinc/22/60/35/401226035.db2.gz KXJKOGJUGZFBPP-UVTDQMKNSA-N 1 0 306.406 3.481 20 5 DGBDRO C[C@H](CN1CCC(C)CC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000594978895 401217711 /nfs/dbraw/zinc/21/77/11/401217711.db2.gz CTMUMJWCZJQZMK-BIENSFFJSA-N 1 0 317.433 3.318 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000594996491 401223760 /nfs/dbraw/zinc/22/37/60/401223760.db2.gz CRGMOTXLGIWWQT-INIZCTEOSA-N 1 0 310.369 3.419 20 5 DGBDRO C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000090779948 401273941 /nfs/dbraw/zinc/27/39/41/401273941.db2.gz XSVXPXXXXBGGPZ-SCLBCKFNSA-N 1 0 312.369 3.079 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](CC(C)C)[NH+](C)C ZINC000595005949 401227162 /nfs/dbraw/zinc/22/71/62/401227162.db2.gz CBTRJONRLKXPOU-UKRRQHHQSA-N 1 0 323.437 3.230 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)CC(C)(C)C ZINC000595009366 401229765 /nfs/dbraw/zinc/22/97/65/401229765.db2.gz RKJDZMUTMPNRLK-WCQYABFASA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000595010604 401229879 /nfs/dbraw/zinc/22/98/79/401229879.db2.gz CONZJPKTDRIJIW-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(CCO)CCCC1 ZINC000595013385 401231746 /nfs/dbraw/zinc/23/17/46/401231746.db2.gz QHABQIDKYLAWEW-CYBMUJFWSA-N 1 0 322.405 3.197 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000595016458 401232766 /nfs/dbraw/zinc/23/27/66/401232766.db2.gz KQEDZSZMOPVLAZ-NWDGAFQWSA-N 1 0 308.378 3.069 20 5 DGBDRO COCC(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293848772 292198174 /nfs/dbraw/zinc/19/81/74/292198174.db2.gz XFMTZOCXBKRSFI-HNNXBMFYSA-N 1 0 306.406 3.178 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000358733278 286136154 /nfs/dbraw/zinc/13/61/54/286136154.db2.gz UDWCHWSUVFFPMW-LBPRGKRZSA-N 1 0 316.357 3.030 20 5 DGBDRO CCC(=O)c1ccc(NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000359424020 286304999 /nfs/dbraw/zinc/30/49/99/286304999.db2.gz XYXQGOBNHAQJER-UHFFFAOYSA-N 1 0 305.378 3.085 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccc3c(c2)ncn3C)cccc1[N+](=O)[O-] ZINC000359792107 286381198 /nfs/dbraw/zinc/38/11/98/286381198.db2.gz FQDQKVNRSINBTL-UHFFFAOYSA-N 1 0 310.357 3.080 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000487989654 292295376 /nfs/dbraw/zinc/29/53/76/292295376.db2.gz AMOQDTFOLZKSST-PBHICJAKSA-N 1 0 305.422 3.236 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000182742524 292295485 /nfs/dbraw/zinc/29/54/85/292295485.db2.gz OMSYZPRYGWWXFO-KGLIPLIRSA-N 1 0 320.389 3.049 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245535333 292296633 /nfs/dbraw/zinc/29/66/33/292296633.db2.gz WMBOBBCCUBPZRN-RLFYNMQTSA-N 1 0 317.433 3.380 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000332198031 292296964 /nfs/dbraw/zinc/29/69/64/292296964.db2.gz HOEBVSRXNFYQJE-YXWQFLTLSA-N 1 0 304.390 3.057 20 5 DGBDRO CO[C@](C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000361012869 286576622 /nfs/dbraw/zinc/57/66/22/286576622.db2.gz YKWSPTUUEPEJSS-IAGOWNOFSA-N 1 0 304.390 3.377 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000186356627 165039891 /nfs/dbraw/zinc/03/98/91/165039891.db2.gz NKKQIUCJLCJFLV-DOTOQJQBSA-N 1 0 322.405 3.287 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)C1CC1 ZINC000187303134 165085983 /nfs/dbraw/zinc/08/59/83/165085983.db2.gz OKTWZUJMUCIROY-KYHPRHEASA-N 1 0 316.401 3.073 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000189687531 165172744 /nfs/dbraw/zinc/17/27/44/165172744.db2.gz ALYXDXKPKPUPKH-ZDUSSCGKSA-N 1 0 318.402 3.128 20 5 DGBDRO COc1cc(N[C@@H](C[NH3+])C2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000262560694 165809466 /nfs/dbraw/zinc/80/94/66/165809466.db2.gz VJIHFIVSRCJDSI-ZDUSSCGKSA-N 1 0 311.357 3.062 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1[N+](=O)[O-] ZINC000269052419 432151040 /nfs/dbraw/zinc/15/10/40/432151040.db2.gz IKUIHBBHCORULW-RZAIGCCYSA-N 1 0 312.369 3.212 20 5 DGBDRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000182127803 432160086 /nfs/dbraw/zinc/16/00/86/432160086.db2.gz FAYSJFCPKJRNEU-LBPRGKRZSA-N 1 0 313.357 3.404 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1Cl ZINC000246765041 432162562 /nfs/dbraw/zinc/16/25/62/432162562.db2.gz QEXDYCXNUHICPV-WFASDCNBSA-N 1 0 310.781 3.249 20 5 DGBDRO CC[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000171950215 432185260 /nfs/dbraw/zinc/18/52/60/432185260.db2.gz DDPWYODPGUHJKP-AAEUAGOBSA-N 1 0 307.394 3.208 20 5 DGBDRO O=[N+]([O-])c1cccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246979644 432187184 /nfs/dbraw/zinc/18/71/84/432187184.db2.gz VWFMVXIRXDYJLF-YJBOKZPZSA-N 1 0 315.417 3.044 20 5 DGBDRO Cc1ccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269655554 432193138 /nfs/dbraw/zinc/19/31/38/432193138.db2.gz OLIRQIWBRUDHLV-HNNXBMFYSA-N 1 0 306.387 3.130 20 5 DGBDRO CC(C)(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000130505401 196086210 /nfs/dbraw/zinc/08/62/10/196086210.db2.gz RETMDBWUTTXYFH-UHFFFAOYSA-N 1 0 302.378 3.092 20 5 DGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc2ccccc21 ZINC000130998639 196131156 /nfs/dbraw/zinc/13/11/56/196131156.db2.gz JXPXNPGBYUQIHE-ZDUSSCGKSA-N 1 0 310.357 3.295 20 5 DGBDRO CCN(CCC[NH+](CC)CC)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000190981904 432209541 /nfs/dbraw/zinc/20/95/41/432209541.db2.gz MKXBGDNOYOSATE-UHFFFAOYSA-N 1 0 322.409 3.181 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247195828 432210854 /nfs/dbraw/zinc/21/08/54/432210854.db2.gz VZJNBZBRPMORJD-QLFBSQMISA-N 1 0 305.422 3.366 20 5 DGBDRO CO[C@@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000191150822 432226810 /nfs/dbraw/zinc/22/68/10/432226810.db2.gz BSWBOLPKABEWAF-NSHDSACASA-N 1 0 306.387 3.448 20 5 DGBDRO C[C@H]1CCC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026468011 226794809 /nfs/dbraw/zinc/79/48/09/226794809.db2.gz LGXYSLZWAKHOQK-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290809525 221938805 /nfs/dbraw/zinc/93/88/05/221938805.db2.gz GBCQGELYDBDQKB-DTWKUNHWSA-N 1 0 321.204 3.398 20 5 DGBDRO CC[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000290941535 222017714 /nfs/dbraw/zinc/01/77/14/222017714.db2.gz PZHTUEAGGKSSKN-SNVBAGLBSA-N 1 0 307.177 3.416 20 5 DGBDRO CO[C@](C)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000291152076 222175595 /nfs/dbraw/zinc/17/55/95/222175595.db2.gz ILCKCUPMYDCDFH-SJLPKXTDSA-N 1 0 318.417 3.321 20 5 DGBDRO C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)C[NH+](C)C ZINC000341254045 229096344 /nfs/dbraw/zinc/09/63/44/229096344.db2.gz DWIGEVBFHPXRFR-CQSZACIVSA-N 1 0 321.424 3.316 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)C1 ZINC000299666193 229315431 /nfs/dbraw/zinc/31/54/31/229315431.db2.gz RFWHXCPHCCOGRC-MNOVXSKESA-N 1 0 302.334 3.048 20 5 DGBDRO Cc1cc(N2CCC[C@H]2C[C@@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302095212 230092242 /nfs/dbraw/zinc/09/22/42/230092242.db2.gz ROTJFSCFUCNDBP-OLZOCXBDSA-N 1 0 315.373 3.191 20 5 DGBDRO Cc1cc(NC[C@@H]2CCC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302209298 230163664 /nfs/dbraw/zinc/16/36/64/230163664.db2.gz XYTJEJAYOVMQBG-TZMCWYRMSA-N 1 0 315.373 3.414 20 5 DGBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346671773 264077541 /nfs/dbraw/zinc/07/75/41/264077541.db2.gz HCOZZDKJGYSWGI-OAHLLOKOSA-N 1 0 315.373 3.039 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000346688341 264079362 /nfs/dbraw/zinc/07/93/62/264079362.db2.gz MYQSRNJRMAZLLV-CABCVRRESA-N 1 0 322.405 3.287 20 5 DGBDRO C[C@@H]1[NH2+]CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000346687099 264079780 /nfs/dbraw/zinc/07/97/80/264079780.db2.gz VKDDLXAGHISGJF-STQMWFEESA-N 1 0 315.373 3.037 20 5 DGBDRO C[C@@H]1[NH2+]CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000346691480 264080206 /nfs/dbraw/zinc/08/02/06/264080206.db2.gz VZMCLLARNSMUQP-STQMWFEESA-N 1 0 315.373 3.037 20 5 DGBDRO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000346812573 264102138 /nfs/dbraw/zinc/10/21/38/264102138.db2.gz NZCFIEVUXJYNDH-UKRRQHHQSA-N 1 0 318.373 3.486 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000347002102 264136964 /nfs/dbraw/zinc/13/69/64/264136964.db2.gz UJVNFFUJRILJKV-KRWDZBQOSA-N 1 0 313.357 3.206 20 5 DGBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000347022385 264141983 /nfs/dbraw/zinc/14/19/83/264141983.db2.gz OCSDTMXXFTUIFR-OAHLLOKOSA-N 1 0 305.422 3.150 20 5 DGBDRO CC(C)c1ccc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347023867 264142067 /nfs/dbraw/zinc/14/20/67/264142067.db2.gz QFSDMDVTVPKFBW-DZGCQCFKSA-N 1 0 305.422 3.277 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)[NH2+]1 ZINC000347197743 264174104 /nfs/dbraw/zinc/17/41/04/264174104.db2.gz IAZXGFSWYNOCQW-CHWSQXEVSA-N 1 0 315.373 3.037 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccco2)c1 ZINC000347232079 264179778 /nfs/dbraw/zinc/17/97/78/264179778.db2.gz NWPSTMRPKNLLOX-UHFFFAOYSA-N 1 0 303.362 3.064 20 5 DGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000347307995 264194746 /nfs/dbraw/zinc/19/47/46/264194746.db2.gz JYWJNJRXIZOEFG-SWLSCSKDSA-N 1 0 323.824 3.307 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347637835 264256979 /nfs/dbraw/zinc/25/69/79/264256979.db2.gz IOGOOSPSJVPTIP-NWDGAFQWSA-N 1 0 301.346 3.410 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000347679666 264266542 /nfs/dbraw/zinc/26/65/42/264266542.db2.gz JRMUTILKRNJPQG-MRXNPFEDSA-N 1 0 304.390 3.294 20 5 DGBDRO CC(C)SCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000348330805 264391905 /nfs/dbraw/zinc/39/19/05/264391905.db2.gz IBACXWVHLQJQJP-CHWSQXEVSA-N 1 0 312.439 3.006 20 5 DGBDRO C[C@H](CO)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000348333950 264392547 /nfs/dbraw/zinc/39/25/47/264392547.db2.gz DHSOZYMLTBRKOC-VZUFXWRPSA-N 1 0 304.390 3.091 20 5 DGBDRO C[NH+](C)CCOc1ccccc1CNc1ccccc1[N+](=O)[O-] ZINC000350066730 264577145 /nfs/dbraw/zinc/57/71/45/264577145.db2.gz LHOXFTBSLRNFRC-UHFFFAOYSA-N 1 0 315.373 3.147 20 5 DGBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000352445770 265052460 /nfs/dbraw/zinc/05/24/60/265052460.db2.gz RRNFRZWLWYEGCW-UHFFFAOYSA-N 1 0 321.421 3.132 20 5 DGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352618707 265106762 /nfs/dbraw/zinc/10/67/62/265106762.db2.gz SSLXIDAWJQAHEZ-OCCSQVGLSA-N 1 0 309.385 3.039 20 5 DGBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352872802 265210138 /nfs/dbraw/zinc/21/01/38/265210138.db2.gz FPAFTFMLJAHTCP-QWHCGFSZSA-N 1 0 310.369 3.249 20 5 DGBDRO Cn1ccnc1[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000353046530 265279964 /nfs/dbraw/zinc/27/99/64/265279964.db2.gz KRHXWNDXGDVNIZ-LEXSJLIMSA-N 1 0 312.373 3.082 20 5 DGBDRO CCOC1CC(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000353189081 265335697 /nfs/dbraw/zinc/33/56/97/265335697.db2.gz FIFFPRLNYBLWIF-ALCCZGGFSA-N 1 0 304.390 3.403 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1Cc2ccccc2C1 ZINC000353307956 265382963 /nfs/dbraw/zinc/38/29/63/265382963.db2.gz MSIMBLCXBZXSGK-UHFFFAOYSA-N 1 0 312.369 3.203 20 5 DGBDRO COc1cc(N(C)CC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000355578782 266121306 /nfs/dbraw/zinc/12/13/06/266121306.db2.gz UAOQSMDYUPVUIR-UHFFFAOYSA-N 1 0 309.410 3.158 20 5 DGBDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000355585142 266123348 /nfs/dbraw/zinc/12/33/48/266123348.db2.gz MARLFSNEBKBWKB-UHFFFAOYSA-N 1 0 324.340 3.373 20 5 DGBDRO Cc1cc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000355862295 266211111 /nfs/dbraw/zinc/21/11/11/266211111.db2.gz OMKSKKBCLFBOCK-UHFFFAOYSA-N 1 0 321.421 3.094 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000151336405 432237467 /nfs/dbraw/zinc/23/74/67/432237467.db2.gz DOUVSOZTKXAVCI-ZBFHGGJFSA-N 1 0 322.430 3.048 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000151336280 432238068 /nfs/dbraw/zinc/23/80/68/432238068.db2.gz DOUVSOZTKXAVCI-GDBMZVCRSA-N 1 0 322.430 3.048 20 5 DGBDRO COCCO[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182944981 432244814 /nfs/dbraw/zinc/24/48/14/432244814.db2.gz OPKBYJLXQUHIPR-HOCLYGCPSA-N 1 0 322.405 3.092 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCC3)CC2)c([N+](=O)[O-])c1 ZINC000367588526 271047361 /nfs/dbraw/zinc/04/73/61/271047361.db2.gz WVNJAFFPQNPALR-UHFFFAOYSA-N 1 0 305.334 3.269 20 5 DGBDRO C[C@@H]1CCC[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000369681471 271309869 /nfs/dbraw/zinc/30/98/69/271309869.db2.gz MHBVSAJEUGYBDX-KGLIPLIRSA-N 1 0 306.410 3.255 20 5 DGBDRO C[NH+](C)C[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000124608118 273800751 /nfs/dbraw/zinc/80/07/51/273800751.db2.gz MIDNGXIPKIFHIU-SECBINFHSA-N 1 0 318.204 3.290 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000192963170 274261955 /nfs/dbraw/zinc/26/19/55/274261955.db2.gz GOVBYMZKZFSWRK-PXAZEXFGSA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332026364 274284034 /nfs/dbraw/zinc/28/40/34/274284034.db2.gz UCFNJXZTLFDIJR-LLVKDONJSA-N 1 0 306.362 3.224 20 5 DGBDRO C[C@@H]1CCCN(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447550421 274291086 /nfs/dbraw/zinc/29/10/86/274291086.db2.gz NAKPTNGDLQGMHO-KDOFPFPSSA-N 1 0 317.433 3.294 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000332144212 274313150 /nfs/dbraw/zinc/31/31/50/274313150.db2.gz HIIGWCHRQZJLMD-NQBHXWOUSA-N 1 0 302.378 3.385 20 5 DGBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582846 274344084 /nfs/dbraw/zinc/34/40/84/274344084.db2.gz AAQCRUMFCXMTEX-OCBCSQNSSA-N 1 0 315.417 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000262039978 275035562 /nfs/dbraw/zinc/03/55/62/275035562.db2.gz BROXDEXLVOZNEI-OAHLLOKOSA-N 1 0 323.824 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCNc1ccccn1)CCC2 ZINC000278768692 275037943 /nfs/dbraw/zinc/03/79/43/275037943.db2.gz PDDYZHPCNUJYAW-INIZCTEOSA-N 1 0 312.373 3.069 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)CC1CCC1)CCC2 ZINC000281299849 275038106 /nfs/dbraw/zinc/03/81/06/275038106.db2.gz YOLHSHSHSXNXRD-YOEHRIQHSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C1CCC1)CCCC2 ZINC000417353572 275038267 /nfs/dbraw/zinc/03/82/67/275038267.db2.gz XMVLYLYHWBJSFI-IAGOWNOFSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)CCCC2 ZINC000417335120 275038460 /nfs/dbraw/zinc/03/84/60/275038460.db2.gz SGFSOXCYLZGYSQ-YLQAJVPDSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)c2ccccc2)C2CC2)c1 ZINC000265458004 275039202 /nfs/dbraw/zinc/03/92/02/275039202.db2.gz YAIBWNCWBJHTEU-SFHVURJKSA-N 1 0 312.369 3.293 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CCO)c1ccccc1 ZINC000077467965 275039849 /nfs/dbraw/zinc/03/98/49/275039849.db2.gz IZZHCRJXVBTTQM-DKISHCGFSA-N 1 0 312.369 3.321 20 5 DGBDRO COc1cc(NC[C@@H](c2ccco2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000270574928 432260798 /nfs/dbraw/zinc/26/07/98/432260798.db2.gz QFWHENYFCGDVNL-ZDUSSCGKSA-N 1 0 323.324 3.050 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@@H+]1C1CC1 ZINC000519613321 429471646 /nfs/dbraw/zinc/47/16/46/429471646.db2.gz NLZBYLORHNYZFG-YPMHNXCESA-N 1 0 312.373 3.180 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCC2(CO)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000453339525 275860177 /nfs/dbraw/zinc/86/01/77/275860177.db2.gz KPMNPWCSBOJFBV-OAHLLOKOSA-N 1 0 304.390 3.069 20 5 DGBDRO CCC(O)(CC)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433174998 275959359 /nfs/dbraw/zinc/95/93/59/275959359.db2.gz KVFNELZMOONEDB-OAHLLOKOSA-N 1 0 306.406 3.458 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000411171803 276122063 /nfs/dbraw/zinc/12/20/63/276122063.db2.gz GFJUTLYHMBGKCC-UHFFFAOYSA-N 1 0 305.378 3.188 20 5 DGBDRO CCOC(=O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182628584 276275044 /nfs/dbraw/zinc/27/50/44/276275044.db2.gz WBDYUOQRZQPDNY-CYBMUJFWSA-N 1 0 320.389 3.239 20 5 DGBDRO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000191809213 277396132 /nfs/dbraw/zinc/39/61/32/277396132.db2.gz KLLYXFDKUNKETO-IPYPFGDCSA-N 1 0 320.389 3.095 20 5 DGBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000339076476 277569819 /nfs/dbraw/zinc/56/98/19/277569819.db2.gz VADGVCYXEGWWAU-CYBMUJFWSA-N 1 0 318.295 3.128 20 5 DGBDRO COc1cccc(NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000185098612 278018066 /nfs/dbraw/zinc/01/80/66/278018066.db2.gz OGAUBTULQJNQMH-LBPRGKRZSA-N 1 0 321.402 3.380 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000414592974 278035782 /nfs/dbraw/zinc/03/57/82/278035782.db2.gz ZZTNTANKYAHOFN-DZGCQCFKSA-N 1 0 306.406 3.311 20 5 DGBDRO C[C@@H](CC[NH+](C)C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166117 278229212 /nfs/dbraw/zinc/22/92/12/278229212.db2.gz WWNFJNXMXHBWHS-BLLLJJGKSA-N 1 0 305.422 3.247 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000279180097 278924603 /nfs/dbraw/zinc/92/46/03/278924603.db2.gz VKVWMBPUDFEHPX-WQGACYEGSA-N 1 0 304.390 3.474 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000279180099 278993103 /nfs/dbraw/zinc/99/31/03/278993103.db2.gz VKVWMBPUDFEHPX-XHBSWPGZSA-N 1 0 304.390 3.474 20 5 DGBDRO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000108365717 431136559 /nfs/dbraw/zinc/13/65/59/431136559.db2.gz BVJHJZXCLOHQHJ-UHFFFAOYSA-N 1 0 319.405 3.211 20 5 DGBDRO CCCO[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000108395952 431139448 /nfs/dbraw/zinc/13/94/48/431139448.db2.gz SAKNCQMMXZDESI-OAHLLOKOSA-N 1 0 322.405 3.255 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000068836978 431143314 /nfs/dbraw/zinc/14/33/14/431143314.db2.gz JVAHPCOPGATKGP-INIZCTEOSA-N 1 0 303.337 3.449 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1CCC1 ZINC000111297998 431210206 /nfs/dbraw/zinc/21/02/06/431210206.db2.gz NBMVEKLSFXBFOH-LLVKDONJSA-N 1 0 316.361 3.438 20 5 DGBDRO COC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000112987728 431318292 /nfs/dbraw/zinc/31/82/92/431318292.db2.gz ACFCXANKIIQCJB-CQSZACIVSA-N 1 0 322.405 3.240 20 5 DGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)C(C)C ZINC000072635870 431343160 /nfs/dbraw/zinc/34/31/60/431343160.db2.gz YMAUMWHSYYYFEZ-ZDUSSCGKSA-N 1 0 307.394 3.208 20 5 DGBDRO CCc1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000007979785 431374629 /nfs/dbraw/zinc/37/46/29/431374629.db2.gz XTNMGJZYWMRPQS-MRXNPFEDSA-N 1 0 314.389 3.267 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1C(C)C ZINC000117349033 431560989 /nfs/dbraw/zinc/56/09/89/431560989.db2.gz ZSKCTUHQXDHLTR-CQSZACIVSA-N 1 0 319.405 3.352 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000117394850 431561221 /nfs/dbraw/zinc/56/12/21/431561221.db2.gz FDGZPZOXHJZMPP-CHWSQXEVSA-N 1 0 310.419 3.367 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000174869084 280383844 /nfs/dbraw/zinc/38/38/44/280383844.db2.gz VDWCEWZXEROARW-CQSZACIVSA-N 1 0 304.350 3.002 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000077465944 431597915 /nfs/dbraw/zinc/59/79/15/431597915.db2.gz WKGWWFIKGHLNHQ-WMLDXEAASA-N 1 0 306.406 3.359 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C(C)C)C1CCC1 ZINC000077358723 431586900 /nfs/dbraw/zinc/58/69/00/431586900.db2.gz UWNPTDXEAVMHGQ-UHFFFAOYSA-N 1 0 319.405 3.495 20 5 DGBDRO Cc1cc(N2CCC[C@H](CO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000294282824 280554360 /nfs/dbraw/zinc/55/43/60/280554360.db2.gz XUKLUWSZMQMIIJ-ZDUSSCGKSA-N 1 0 315.373 3.050 20 5 DGBDRO Cc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420230209 280569935 /nfs/dbraw/zinc/56/99/35/280569935.db2.gz IGTLDBAXHSUPSV-VHSXEESVSA-N 1 0 317.311 3.096 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000119550872 431706825 /nfs/dbraw/zinc/70/68/25/431706825.db2.gz JFGQNEMXSABZTE-SLEUVZQESA-N 1 0 319.405 3.256 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)nc2c1 ZINC000083243490 431809980 /nfs/dbraw/zinc/80/99/80/431809980.db2.gz BPHOQWDRWXWVIM-VXGBXAGGSA-N 1 0 301.346 3.358 20 5 DGBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000123823572 431875339 /nfs/dbraw/zinc/87/53/39/431875339.db2.gz RCMANENCELSSPA-DGCLKSJQSA-N 1 0 312.797 3.374 20 5 DGBDRO CC(C)CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000045751721 431889007 /nfs/dbraw/zinc/88/90/07/431889007.db2.gz SVHVVIIPHFILBL-UHFFFAOYSA-N 1 0 320.389 3.472 20 5 DGBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(N(C)C)n2)cccc1[N+](=O)[O-] ZINC000090851239 431896293 /nfs/dbraw/zinc/89/62/93/431896293.db2.gz QRLCCEHFTOBXBB-ZDUSSCGKSA-N 1 0 314.389 3.215 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000124762243 431903628 /nfs/dbraw/zinc/90/36/28/431903628.db2.gz AYGABMXTTKPTNY-HZPDHXFCSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@@H](c1ccncc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000127506037 431974499 /nfs/dbraw/zinc/97/44/99/431974499.db2.gz DNJCEXZZYOTEIY-ZDUSSCGKSA-N 1 0 301.346 3.062 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127608764 431976539 /nfs/dbraw/zinc/97/65/39/431976539.db2.gz YHDAFQJVGQIMKD-GFCCVEGCSA-N 1 0 322.409 3.063 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000122318047 280942418 /nfs/dbraw/zinc/94/24/18/280942418.db2.gz MGUISCDWECGKNI-DOMZBBRYSA-N 1 0 314.389 3.365 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125943937 431938447 /nfs/dbraw/zinc/93/84/47/431938447.db2.gz CICTXUUEQORAOA-LSDHHAIUSA-N 1 0 305.422 3.366 20 5 DGBDRO C[C@H]1OCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000126528055 431952329 /nfs/dbraw/zinc/95/23/29/431952329.db2.gz GWFFJRPURKOFJH-QWHCGFSZSA-N 1 0 316.357 3.464 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292846619 281020440 /nfs/dbraw/zinc/02/04/40/281020440.db2.gz BNPHMHWQIHRJRJ-CRAIPNDOSA-N 1 0 317.433 3.382 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000183372850 432286733 /nfs/dbraw/zinc/28/67/33/432286733.db2.gz QKIRXUOYUMWZSJ-KRWDZBQOSA-N 1 0 316.332 3.387 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000191668599 432289211 /nfs/dbraw/zinc/28/92/11/432289211.db2.gz XSRZTKPRJXWANU-KRWDZBQOSA-N 1 0 306.406 3.324 20 5 DGBDRO Cc1nccn1CCC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271046027 432319673 /nfs/dbraw/zinc/31/96/73/432319673.db2.gz VNOGDHMXXNMWBJ-UHFFFAOYSA-N 1 0 322.796 3.275 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCOC1 ZINC000271062729 432324520 /nfs/dbraw/zinc/32/45/20/432324520.db2.gz CJIKRNPDBANOCP-UONOGXRCSA-N 1 0 324.446 3.482 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](C)c1nccs1 ZINC000183919414 432334553 /nfs/dbraw/zinc/33/45/53/432334553.db2.gz XJSDUIRMIBISCF-NSHDSACASA-N 1 0 321.402 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]1CCO)CCC2 ZINC000249055900 432336316 /nfs/dbraw/zinc/33/63/16/432336316.db2.gz YQHMBQSDNUWXKG-RRQGHBQHSA-N 1 0 304.390 3.113 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000152216426 432315078 /nfs/dbraw/zinc/31/50/78/432315078.db2.gz UQQLSIPTSLWIGO-KSYCFECVSA-N 1 0 302.374 3.203 20 5 DGBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174877542 432376167 /nfs/dbraw/zinc/37/61/67/432376167.db2.gz KYKZBSOCCZSXPB-INIZCTEOSA-N 1 0 316.405 3.053 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(CO)CCC2)o1 ZINC000184364285 432383284 /nfs/dbraw/zinc/38/32/84/432383284.db2.gz RZFDWVDTHBYDJC-UHFFFAOYSA-N 1 0 316.357 3.107 20 5 DGBDRO O=C(NCC[NH+]1CCCC1)c1cc2ccccc2c2cccnc12 ZINC000192510097 432383997 /nfs/dbraw/zinc/38/39/97/432383997.db2.gz CBOWKZBLLKFNGC-UHFFFAOYSA-N 1 0 319.408 3.214 20 5 DGBDRO C[NH+](C)CC(C)(C)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192589523 432391200 /nfs/dbraw/zinc/39/12/00/432391200.db2.gz VUMQZFWWQDDNLF-MRXNPFEDSA-N 1 0 305.422 3.150 20 5 DGBDRO COc1ccc(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000192637889 432394654 /nfs/dbraw/zinc/39/46/54/432394654.db2.gz ZEIVLBQABDSICH-UHFFFAOYSA-N 1 0 300.358 3.278 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000192630585 432394801 /nfs/dbraw/zinc/39/48/01/432394801.db2.gz PPTHVWQXEVFNQJ-BBRMVZONSA-N 1 0 319.405 3.068 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000192630572 432394869 /nfs/dbraw/zinc/39/48/69/432394869.db2.gz PPTHVWQXEVFNQJ-CJNGLKHVSA-N 1 0 319.405 3.068 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271438283 432395088 /nfs/dbraw/zinc/39/50/88/432395088.db2.gz BPDQRMQRFBZNIO-WCQYABFASA-N 1 0 316.361 3.408 20 5 DGBDRO CCC[C@@H]([NH2+]Cc1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000271452061 432399761 /nfs/dbraw/zinc/39/97/61/432399761.db2.gz FWLPWPAIFZPZLL-MRXNPFEDSA-N 1 0 302.378 3.442 20 5 DGBDRO Cc1cnc(N2CC[NH+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301442267 281603966 /nfs/dbraw/zinc/60/39/66/281603966.db2.gz MVLZWFKCMPMOGT-UHFFFAOYSA-N 1 0 318.421 3.001 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192915644 432428375 /nfs/dbraw/zinc/42/83/75/432428375.db2.gz FIUWJYVLXKQJTD-GUYCJALGSA-N 1 0 306.406 3.361 20 5 DGBDRO CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193035515 432442324 /nfs/dbraw/zinc/44/23/24/432442324.db2.gz KYZWHRKGADEFFJ-CZUORRHYSA-N 1 0 306.406 3.359 20 5 DGBDRO [NH3+]C1(c2noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n2)CCC1 ZINC000261714407 432444733 /nfs/dbraw/zinc/44/47/33/432444733.db2.gz JBDRMBCTQZQMFZ-UHFFFAOYSA-N 1 0 316.342 3.197 20 5 DGBDRO Cc1n[nH]c(C)c1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154324423 432491283 /nfs/dbraw/zinc/49/12/83/432491283.db2.gz KFAUFHPRFHOAID-UHFFFAOYSA-N 1 0 300.362 3.099 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000272407725 432495489 /nfs/dbraw/zinc/49/54/89/432495489.db2.gz FJNADGJLNHENEH-CYBMUJFWSA-N 1 0 300.358 3.246 20 5 DGBDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176212697 432501348 /nfs/dbraw/zinc/50/13/48/432501348.db2.gz VXXXNWYZBDFEQM-LLVKDONJSA-N 1 0 308.769 3.138 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)n1 ZINC000176212048 432501842 /nfs/dbraw/zinc/50/18/42/432501842.db2.gz QMBOYPJNFDMOLH-AWEZNQCLSA-N 1 0 320.780 3.282 20 5 DGBDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176249478 432504784 /nfs/dbraw/zinc/50/47/84/432504784.db2.gz ACPJEHNUZWFXMC-LBPRGKRZSA-N 1 0 322.796 3.008 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000262894249 432507629 /nfs/dbraw/zinc/50/76/29/432507629.db2.gz XDFYNFHVQOSCRS-UGSOOPFHSA-N 1 0 319.408 3.116 20 5 DGBDRO C[C@@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000261957845 432464325 /nfs/dbraw/zinc/46/43/25/432464325.db2.gz XGWYMRSFSPPTOJ-MLGOLLRUSA-N 1 0 319.405 3.070 20 5 DGBDRO C[C@@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000185110451 432466692 /nfs/dbraw/zinc/46/66/92/432466692.db2.gz IGWQKVWDHHBFQZ-MRXNPFEDSA-N 1 0 320.776 3.246 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000261989667 432468074 /nfs/dbraw/zinc/46/80/74/432468074.db2.gz STWZQNCOGNZSFZ-JTQLQIEISA-N 1 0 317.311 3.415 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272656204 432532992 /nfs/dbraw/zinc/53/29/92/432532992.db2.gz BFZYOTDAKKKGET-KGLIPLIRSA-N 1 0 318.421 3.363 20 5 DGBDRO O=[N+]([O-])c1ccc(CNCc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000194244012 432534566 /nfs/dbraw/zinc/53/45/66/432534566.db2.gz VUQOFGSTEOISPY-UHFFFAOYSA-N 1 0 308.341 3.275 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCC[C@H](C)C1 ZINC000156683393 432605018 /nfs/dbraw/zinc/60/50/18/432605018.db2.gz LRMHAZFBNIBATN-DZGCQCFKSA-N 1 0 305.422 3.286 20 5 DGBDRO NC(=O)[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000157149227 432614984 /nfs/dbraw/zinc/61/49/84/432614984.db2.gz AWEPAFIKPPZAIS-MRXNPFEDSA-N 1 0 304.393 3.300 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000263779386 432576159 /nfs/dbraw/zinc/57/61/59/432576159.db2.gz OYEXZCPTXPLTBL-VXGBXAGGSA-N 1 0 316.361 3.438 20 5 DGBDRO Cn1cc(C[NH2+]CC2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263808286 432578830 /nfs/dbraw/zinc/57/88/30/432578830.db2.gz MBASXHQEZQJMEC-UHFFFAOYSA-N 1 0 314.389 3.275 20 5 DGBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000194933574 432587897 /nfs/dbraw/zinc/58/78/97/432587897.db2.gz NZWQDYXFUMIXGT-QGZVFWFLSA-N 1 0 322.405 3.385 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC1([NH+](C)C)CCC1 ZINC000186959021 432639489 /nfs/dbraw/zinc/63/94/89/432639489.db2.gz DEYOZDIAYLTGNT-CQSZACIVSA-N 1 0 305.422 3.380 20 5 DGBDRO Cc1ccc(C[NH2+]CCc2nn(C)c3ccccc23)cc1[N+](=O)[O-] ZINC000187385657 432660413 /nfs/dbraw/zinc/66/04/13/432660413.db2.gz KGMIAFOPZRDLJX-UHFFFAOYSA-N 1 0 324.384 3.122 20 5 DGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274687282 432697741 /nfs/dbraw/zinc/69/77/41/432697741.db2.gz LLWKEEAPGWVSPP-QWHCGFSZSA-N 1 0 321.421 3.247 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000178179368 432703191 /nfs/dbraw/zinc/70/31/91/432703191.db2.gz ATPFNGMJDYRZEG-OAHLLOKOSA-N 1 0 318.352 3.152 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000160535665 432726333 /nfs/dbraw/zinc/72/63/33/432726333.db2.gz HOHQRLJCUQOEKL-OLZOCXBDSA-N 1 0 307.394 3.290 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(CO)CCC2)s1 ZINC000178637403 432761785 /nfs/dbraw/zinc/76/17/85/432761785.db2.gz XTKJTRKJJBLUAR-UHFFFAOYSA-N 1 0 318.398 3.328 20 5 DGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CCO)c1ccccc1 ZINC000266573652 432766193 /nfs/dbraw/zinc/76/61/93/432766193.db2.gz FHHUHHMFXZFOPM-GOSISDBHSA-N 1 0 314.385 3.193 20 5 DGBDRO Cc1nc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000161313415 432772719 /nfs/dbraw/zinc/77/27/19/432772719.db2.gz FMSFOIQFHSPXIS-AWEZNQCLSA-N 1 0 306.410 3.078 20 5 DGBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000230892083 432730048 /nfs/dbraw/zinc/73/00/48/432730048.db2.gz GOMIFYWRZMKXFU-ZDUSSCGKSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(NC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000236043440 432745776 /nfs/dbraw/zinc/74/57/76/432745776.db2.gz RKMZHYBVQXCZCL-MRVPVSSYSA-N 1 0 304.177 3.313 20 5 DGBDRO COC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000162223369 432816780 /nfs/dbraw/zinc/81/67/80/432816780.db2.gz XIXNAPFULWOSGO-ZBFHGGJFSA-N 1 0 318.417 3.465 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000267181879 432820470 /nfs/dbraw/zinc/82/04/70/432820470.db2.gz KKUVVGZEWHHNNX-PXAZEXFGSA-N 1 0 318.348 3.254 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245441227 432832322 /nfs/dbraw/zinc/83/23/22/432832322.db2.gz HDULZPMMDJAXCT-CZUORRHYSA-N 1 0 317.389 3.106 20 5 DGBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000162798042 432834709 /nfs/dbraw/zinc/83/47/09/432834709.db2.gz MGYQKRWZBVSFDW-AXWNUGKVSA-N 1 0 324.446 3.325 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000245507023 432838202 /nfs/dbraw/zinc/83/82/02/432838202.db2.gz PAXJZNGAUIJTPT-AVGNSLFASA-N 1 0 310.394 3.051 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161530386 432784975 /nfs/dbraw/zinc/78/49/75/432784975.db2.gz KUGBMJHHYIKNLZ-WMZOPIPTSA-N 1 0 314.385 3.412 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161530499 432785243 /nfs/dbraw/zinc/78/52/43/432785243.db2.gz KUGBMJHHYIKNLZ-FUHWJXTLSA-N 1 0 314.385 3.412 20 5 DGBDRO CCC[NH+]1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000161619012 432790511 /nfs/dbraw/zinc/79/05/11/432790511.db2.gz NWGCBKZEUQGQCU-AWEZNQCLSA-N 1 0 305.422 3.428 20 5 DGBDRO C[C@H]1CCC[C@@](CNCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000237529577 432790741 /nfs/dbraw/zinc/79/07/41/432790741.db2.gz ZRVDTSJSJGIGSQ-WMLDXEAASA-N 1 0 305.422 3.195 20 5 DGBDRO Cc1ccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000237629995 432794318 /nfs/dbraw/zinc/79/43/18/432794318.db2.gz RFOGXVCJAJJIGJ-KGLIPLIRSA-N 1 0 305.378 3.139 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C(C)C)CC1 ZINC000266940548 432800728 /nfs/dbraw/zinc/80/07/28/432800728.db2.gz BGOHYFJWTBIXIG-UHFFFAOYSA-N 1 0 307.394 3.026 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161884468 432803741 /nfs/dbraw/zinc/80/37/41/432803741.db2.gz GYFQDACCVJCBLP-RDTXWAMCSA-N 1 0 315.417 3.356 20 5 DGBDRO CC(=O)c1ccc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000277951141 432879470 /nfs/dbraw/zinc/87/94/70/432879470.db2.gz SQYGMHAOPZKRMD-UHFFFAOYSA-N 1 0 317.389 3.084 20 5 DGBDRO CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245544617 432841684 /nfs/dbraw/zinc/84/16/84/432841684.db2.gz MJASUPVLHOLSKR-LXZKKBNFSA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163261460 432847314 /nfs/dbraw/zinc/84/73/14/432847314.db2.gz OBFIETVDLMAYKC-CXAGYDPISA-N 1 0 300.358 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000268243431 432858601 /nfs/dbraw/zinc/85/86/01/432858601.db2.gz HICYAXLCNRCMDP-JKSUJKDBSA-N 1 0 316.357 3.276 20 5 DGBDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330812049 432925633 /nfs/dbraw/zinc/92/56/33/432925633.db2.gz AZHHIKYZQXLIKX-SMDDNHRTSA-N 1 0 312.797 3.231 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331170455 432933624 /nfs/dbraw/zinc/93/36/24/432933624.db2.gz NZFHRXJYHSBVAY-NWDGAFQWSA-N 1 0 310.419 3.319 20 5 DGBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000331292506 432937614 /nfs/dbraw/zinc/93/76/14/432937614.db2.gz QJKDCMMQJAXRPX-HFAKWTLXSA-N 1 0 312.797 3.230 20 5 DGBDRO COCc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000289336340 432946735 /nfs/dbraw/zinc/94/67/35/432946735.db2.gz HHGGZGGZPMJWOO-UHFFFAOYSA-N 1 0 304.346 3.009 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331518156 432946859 /nfs/dbraw/zinc/94/68/59/432946859.db2.gz FRTOJCHOCYJHBQ-CJNGLKHVSA-N 1 0 317.389 3.188 20 5 DGBDRO C[C@@H](CO)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279223098 432948129 /nfs/dbraw/zinc/94/81/29/432948129.db2.gz ZFCLGAPBXCETFV-MLGOLLRUSA-N 1 0 306.406 3.315 20 5 DGBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H](O)c1ccccc1 ZINC000288795691 432898693 /nfs/dbraw/zinc/89/86/93/432898693.db2.gz CQLJMRNCRJAIGW-SFHVURJKSA-N 1 0 314.385 3.193 20 5 DGBDRO C[C@H](O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000278786962 432900308 /nfs/dbraw/zinc/90/03/08/432900308.db2.gz ZURGONJOCWHWOQ-LBPRGKRZSA-N 1 0 304.346 3.105 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000278914138 432917149 /nfs/dbraw/zinc/91/71/49/432917149.db2.gz VZTIGUIZXCBZEI-ULQDDVLXSA-N 1 0 322.405 3.220 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332159285 432978605 /nfs/dbraw/zinc/97/86/05/432978605.db2.gz KIKBSDVKIKMPEV-IAQYHMDHSA-N 1 0 302.378 3.482 20 5 DGBDRO Cc1cnn([C@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000289988919 432981062 /nfs/dbraw/zinc/98/10/62/432981062.db2.gz SFYSBRLNNWPAKI-KGLIPLIRSA-N 1 0 300.362 3.108 20 5 DGBDRO CCC1(C)C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000297496443 432997064 /nfs/dbraw/zinc/99/70/64/432997064.db2.gz VPQGQTKNEWQIKE-UHFFFAOYSA-N 1 0 314.389 3.227 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000279364711 432960074 /nfs/dbraw/zinc/96/00/74/432960074.db2.gz WOCARRGXIWDKIK-CJNGLKHVSA-N 1 0 322.405 3.023 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccnn2C)CC1 ZINC000332434786 433006983 /nfs/dbraw/zinc/00/69/83/433006983.db2.gz GGBJFIXJZZRWIK-ZDUSSCGKSA-N 1 0 314.389 3.269 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000332440321 433007133 /nfs/dbraw/zinc/00/71/33/433007133.db2.gz INISQUQFYVMMRW-LBPRGKRZSA-N 1 0 300.362 3.259 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000290276382 433025761 /nfs/dbraw/zinc/02/57/61/433025761.db2.gz WSQNROOQGRIMMP-WFASDCNBSA-N 1 0 322.405 3.195 20 5 DGBDRO CO[C@]1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000280380341 433043113 /nfs/dbraw/zinc/04/31/13/433043113.db2.gz LBQNRVWWXQYIMI-MRXNPFEDSA-N 1 0 319.361 3.127 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])c1ccco1 ZINC000361261599 433064376 /nfs/dbraw/zinc/06/43/76/433064376.db2.gz HDGVTWALXOPWGY-AWEZNQCLSA-N 1 0 318.377 3.386 20 5 DGBDRO Cc1cc(-c2noc(C[NH+]3[C@@H](C)CC[C@@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000453293150 433068098 /nfs/dbraw/zinc/06/80/98/433068098.db2.gz PMQRDCDKXAQOOB-RYUDHWBXSA-N 1 0 316.361 3.326 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H](CC)[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000491805067 433070303 /nfs/dbraw/zinc/07/03/03/433070303.db2.gz FTWKXHOSNFBKTD-ZFWWWQNUSA-N 1 0 308.378 3.041 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000156372130 292728749 /nfs/dbraw/zinc/72/87/49/292728749.db2.gz ADTHBSUWNOJTSX-HNNXBMFYSA-N 1 0 316.405 3.457 20 5 DGBDRO Cc1nccnc1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000446887434 433123194 /nfs/dbraw/zinc/12/31/94/433123194.db2.gz SUJUTUOIRYQGTM-SNVBAGLBSA-N 1 0 320.780 3.240 20 5 DGBDRO CC(=O)c1cc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000341540077 433123609 /nfs/dbraw/zinc/12/36/09/433123609.db2.gz YSSNBYRVTLDUNB-CHWSQXEVSA-N 1 0 319.405 3.330 20 5 DGBDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350289516 433124300 /nfs/dbraw/zinc/12/43/00/433124300.db2.gz QURVANOBOCXRBD-OAHLLOKOSA-N 1 0 318.348 3.081 20 5 DGBDRO Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420268195 433139704 /nfs/dbraw/zinc/13/97/04/433139704.db2.gz HFZFNHFKYCRNIG-UWVGGRQHSA-N 1 0 317.311 3.461 20 5 DGBDRO [NH3+]C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CCCC1 ZINC000420264657 433139926 /nfs/dbraw/zinc/13/99/26/433139926.db2.gz BDLQRFYULPVBEM-NSHDSACASA-N 1 0 315.320 3.126 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000420294270 433148096 /nfs/dbraw/zinc/14/80/96/433148096.db2.gz YTDWZSDOKGWNMB-VXGBXAGGSA-N 1 0 300.362 3.072 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)[C@@H](O)CC)cc1[N+](=O)[O-] ZINC000453339033 433105238 /nfs/dbraw/zinc/10/52/38/433105238.db2.gz BIWJVTMDYKRIRB-WHOFXGATSA-N 1 0 310.394 3.194 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000453352197 433113722 /nfs/dbraw/zinc/11/37/22/433113722.db2.gz HGYXDZDTRBKXTR-UONOGXRCSA-N 1 0 322.405 3.461 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000453353589 433113938 /nfs/dbraw/zinc/11/39/38/433113938.db2.gz QMRRJFHSOSZQEH-CXAGYDPISA-N 1 0 316.405 3.390 20 5 DGBDRO Cc1ccc(C)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446850086 433118430 /nfs/dbraw/zinc/11/84/30/433118430.db2.gz VHERCFRMNLNIPH-UHFFFAOYSA-N 1 0 310.357 3.378 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2F)n1 ZINC000447510467 433208532 /nfs/dbraw/zinc/20/85/32/433208532.db2.gz ILGSYERXYFOJJC-LSDHHAIUSA-N 1 0 318.352 3.204 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2F)n1 ZINC000447510465 433209721 /nfs/dbraw/zinc/20/97/21/433209721.db2.gz ILGSYERXYFOJJC-GJZGRUSLSA-N 1 0 318.352 3.204 20 5 DGBDRO CC1=C(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000280762410 433165148 /nfs/dbraw/zinc/16/51/48/433165148.db2.gz OILFYTPABSXSLD-UHFFFAOYSA-N 1 0 321.352 3.105 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000453414159 433168384 /nfs/dbraw/zinc/16/83/84/433168384.db2.gz SRPKPNIXXWONSP-OBJOEFQTSA-N 1 0 308.378 3.212 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000350478741 433177254 /nfs/dbraw/zinc/17/72/54/433177254.db2.gz NGSFQKBXQMESFW-MLGOLLRUSA-N 1 0 302.378 3.000 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000280798030 433177346 /nfs/dbraw/zinc/17/73/46/433177346.db2.gz VMHIZLPQNQRGLC-GJZGRUSLSA-N 1 0 317.389 3.226 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000290853732 433188471 /nfs/dbraw/zinc/18/84/71/433188471.db2.gz JXABFFUUTPKIDT-VIFPVBQESA-N 1 0 319.188 3.418 20 5 DGBDRO Cc1ccc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000453445016 433190091 /nfs/dbraw/zinc/19/00/91/433190091.db2.gz ZOMBBLCVYHVKEC-HNNXBMFYSA-N 1 0 313.401 3.452 20 5 DGBDRO CCC[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000374445204 433193481 /nfs/dbraw/zinc/19/34/81/433193481.db2.gz XVZDOTIBQPZWRK-HOCLYGCPSA-N 1 0 314.389 3.306 20 5 DGBDRO CC[N@H+](CC1CCC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000361485535 433203143 /nfs/dbraw/zinc/20/31/43/433203143.db2.gz OPSHBWMHYCEXKC-CYBMUJFWSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000290936019 433212230 /nfs/dbraw/zinc/21/22/30/433212230.db2.gz SQBUGGWVEDWVSA-XYPYZODXSA-N 1 0 319.188 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOCC(F)(F)F)CCC2 ZINC000447541672 433223844 /nfs/dbraw/zinc/22/38/44/433223844.db2.gz NDTOCFPKCBANHY-ZDUSSCGKSA-N 1 0 318.295 3.141 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc(C)cn1 ZINC000453602967 433230148 /nfs/dbraw/zinc/23/01/48/433230148.db2.gz PUWGCTLHUCZIGQ-UHFFFAOYSA-N 1 0 315.373 3.029 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(C3CC3)CC2)n1 ZINC000447575687 433230392 /nfs/dbraw/zinc/23/03/92/433230392.db2.gz URNTZMGJDKQXMS-ZIAGYGMSSA-N 1 0 304.394 3.055 20 5 DGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447583024 433235115 /nfs/dbraw/zinc/23/51/15/433235115.db2.gz AOYUZRDZDJAHSB-IAOVAPTHSA-N 1 0 304.390 3.377 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1(CO)CCCC1 ZINC000453611482 433235249 /nfs/dbraw/zinc/23/52/49/433235249.db2.gz IRANHQRBMUBYBR-MRXNPFEDSA-N 1 0 306.406 3.262 20 5 DGBDRO CC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447585852 433235890 /nfs/dbraw/zinc/23/58/90/433235890.db2.gz KKDHMPPMOULJCY-KBPBESRZSA-N 1 0 306.410 3.445 20 5 DGBDRO C[C@@H]1[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000413249845 433268846 /nfs/dbraw/zinc/26/88/46/433268846.db2.gz UBBYIXJODSACBC-IAQYHMDHSA-N 1 0 300.362 3.038 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H](CCO)CC3)c2c1 ZINC000420634953 433236981 /nfs/dbraw/zinc/23/69/81/433236981.db2.gz DQVBFNZZDPJMDB-CYBMUJFWSA-N 1 0 315.373 3.132 20 5 DGBDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000453625210 433250990 /nfs/dbraw/zinc/25/09/90/433250990.db2.gz RHBGYHXNXCUKIM-KRWDZBQOSA-N 1 0 320.389 3.149 20 5 DGBDRO CCCN(C(=O)c1ccc2c[nH+]cn2c1)c1cccc([N+](=O)[O-])c1 ZINC000341764502 433258465 /nfs/dbraw/zinc/25/84/65/433258465.db2.gz BMNDPOWQHQGHAS-UHFFFAOYSA-N 1 0 324.340 3.299 20 5 DGBDRO CC[C@@H](c1ccccc1)[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000350703780 433260590 /nfs/dbraw/zinc/26/05/90/433260590.db2.gz VCIIGMCIHUTNAG-INIZCTEOSA-N 1 0 302.378 3.265 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)C(C)C ZINC000341811692 433292712 /nfs/dbraw/zinc/29/27/12/433292712.db2.gz VLKFPUQABUUWPH-ZDUSSCGKSA-N 1 0 307.394 3.208 20 5 DGBDRO CO[C@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000338544617 433304951 /nfs/dbraw/zinc/30/49/51/433304951.db2.gz RILPEDMALCLRKY-GOSISDBHSA-N 1 0 312.369 3.341 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000414065090 433373744 /nfs/dbraw/zinc/37/37/44/433373744.db2.gz GMQHKOUEGAUQML-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000361687574 433340842 /nfs/dbraw/zinc/34/08/42/433340842.db2.gz PVMGWIVVPXEEQW-HNNXBMFYSA-N 1 0 304.390 3.400 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421011833 433385491 /nfs/dbraw/zinc/38/54/91/433385491.db2.gz HNBWKRSPRLDEJJ-GFCCVEGCSA-N 1 0 312.797 3.233 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000414087648 433387840 /nfs/dbraw/zinc/38/78/40/433387840.db2.gz ILAJJHKBGWBYSI-CYBMUJFWSA-N 1 0 302.378 3.002 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000301085399 433410310 /nfs/dbraw/zinc/41/03/10/433410310.db2.gz KJWXCFOUCXIMHZ-CQSZACIVSA-N 1 0 311.385 3.454 20 5 DGBDRO CC[N@H+](CCC1CC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000355029526 433420782 /nfs/dbraw/zinc/42/07/82/433420782.db2.gz AVRZRTVVBFUDCW-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)([NH2+]CCCOCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000292040676 433435403 /nfs/dbraw/zinc/43/54/03/433435403.db2.gz AJFIGGNVISQAFX-UHFFFAOYSA-N 1 0 320.311 3.389 20 5 DGBDRO COCC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339209250 433439375 /nfs/dbraw/zinc/43/93/75/433439375.db2.gz KUXBWRYTXUECGM-UHFFFAOYSA-N 1 0 320.311 3.470 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[N@H+]1CCCC[C@@H]1C ZINC000301184048 433445803 /nfs/dbraw/zinc/44/58/03/433445803.db2.gz JCGBTWGBUFYADN-AWEZNQCLSA-N 1 0 306.410 3.365 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000301215427 433454362 /nfs/dbraw/zinc/45/43/62/433454362.db2.gz ZUUSJRTYSUNOKW-CYBMUJFWSA-N 1 0 306.410 3.222 20 5 DGBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000301254430 433470694 /nfs/dbraw/zinc/47/06/94/433470694.db2.gz CRDDYLGKLKGPLY-GHMZBOCLSA-N 1 0 312.801 3.176 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(C)CC1 ZINC000339255486 433472886 /nfs/dbraw/zinc/47/28/86/433472886.db2.gz ANZBZSFDJUZGIG-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000282046343 433475841 /nfs/dbraw/zinc/47/58/41/433475841.db2.gz ZFBTUTQUGJERKU-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO Cc1ccnc(NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301279661 433485345 /nfs/dbraw/zinc/48/53/45/433485345.db2.gz JSTUHKAUVBDGPK-UHFFFAOYSA-N 1 0 318.421 3.365 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000282176994 433518286 /nfs/dbraw/zinc/51/82/86/433518286.db2.gz VMGGQFQQKPITPD-INIZCTEOSA-N 1 0 304.390 3.342 20 5 DGBDRO COc1cc(NCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000301366413 433526415 /nfs/dbraw/zinc/52/64/15/433526415.db2.gz QNIRJUBKMKJZAU-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)O1 ZINC000414252102 433489104 /nfs/dbraw/zinc/48/91/04/433489104.db2.gz HLWUEYYNPODUMJ-CTWCOEIASA-N 1 0 304.390 3.375 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CC2)s1 ZINC000414320478 433540688 /nfs/dbraw/zinc/54/06/88/433540688.db2.gz CBFFRRHSWGFJPL-SNVBAGLBSA-N 1 0 318.402 3.045 20 5 DGBDRO Cc1ccnc(NC[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000301310287 433501866 /nfs/dbraw/zinc/50/18/66/433501866.db2.gz ZFAOARHURBBZCD-CQSZACIVSA-N 1 0 300.362 3.013 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)n2)cc1 ZINC000426461435 433503953 /nfs/dbraw/zinc/50/39/53/433503953.db2.gz PDYKENBEFMLKNV-FZMZJTMJSA-N 1 0 314.345 3.019 20 5 DGBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[C@@H](C)C1 ZINC000362157530 433556564 /nfs/dbraw/zinc/55/65/64/433556564.db2.gz PTZJJTXWRQWFDX-HIFRSBDPSA-N 1 0 322.405 3.240 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000339398045 433558660 /nfs/dbraw/zinc/55/86/60/433558660.db2.gz UMNFDKMASUSMLX-LBPRGKRZSA-N 1 0 324.768 3.268 20 5 DGBDRO Cc1cnc(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301449863 433561464 /nfs/dbraw/zinc/56/14/64/433561464.db2.gz PQBBPSMNDDMYBU-GJZGRUSLSA-N 1 0 320.437 3.468 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000414454928 433628288 /nfs/dbraw/zinc/62/82/88/433628288.db2.gz ASNZKSIPZYSOTP-HNNXBMFYSA-N 1 0 312.373 3.073 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161491735 292836298 /nfs/dbraw/zinc/83/62/98/292836298.db2.gz DOFSDIMVULFTHS-HOCLYGCPSA-N 1 0 314.385 3.330 20 5 DGBDRO CCC(CC)[C@@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000162175520 292848623 /nfs/dbraw/zinc/84/86/23/292848623.db2.gz VDSLQIDXLSUYAF-AEFFLSMTSA-N 1 0 320.433 3.303 20 5 DGBDRO COC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000162223241 292849317 /nfs/dbraw/zinc/84/93/17/292849317.db2.gz XIXNAPFULWOSGO-GDBMZVCRSA-N 1 0 318.417 3.465 20 5 DGBDRO COC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000162223503 292849354 /nfs/dbraw/zinc/84/93/54/292849354.db2.gz XIXNAPFULWOSGO-GOEBONIOSA-N 1 0 318.417 3.465 20 5 DGBDRO CC(C)(C)OC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000162661895 292857252 /nfs/dbraw/zinc/85/72/52/292857252.db2.gz ZRTZCUZOSWVTDZ-UHFFFAOYSA-N 1 0 322.405 3.253 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000339529463 433641292 /nfs/dbraw/zinc/64/12/92/433641292.db2.gz KFIDQMJMIABRIY-KRWDZBQOSA-N 1 0 316.357 3.369 20 5 DGBDRO Cc1nc(NCCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301621706 433642462 /nfs/dbraw/zinc/64/24/62/433642462.db2.gz FLWXNTWFJPYHSJ-ZDUSSCGKSA-N 1 0 306.410 3.365 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNc1ccccn1 ZINC000163825605 292872062 /nfs/dbraw/zinc/87/20/62/292872062.db2.gz WFHJOBMBKVZFJB-AWEZNQCLSA-N 1 0 314.389 3.451 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000414489910 433655561 /nfs/dbraw/zinc/65/55/61/433655561.db2.gz WIMLVWVMQWGEQN-GXTWGEPZSA-N 1 0 320.389 3.225 20 5 DGBDRO Cc1nc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301659019 433662892 /nfs/dbraw/zinc/66/28/92/433662892.db2.gz SYALIWCPWJGYGJ-OAHLLOKOSA-N 1 0 318.352 3.152 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CS1 ZINC000414496888 433663813 /nfs/dbraw/zinc/66/38/13/433663813.db2.gz DZSWCSGACQEHDG-PSASIEDQSA-N 1 0 318.345 3.180 20 5 DGBDRO Cc1nc(NC2CC[NH+](CC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301665786 433666020 /nfs/dbraw/zinc/66/60/20/433666020.db2.gz WMCCIHCZPXDSEP-UHFFFAOYSA-N 1 0 318.421 3.365 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283196285 433689698 /nfs/dbraw/zinc/68/96/98/433689698.db2.gz GCATYVZKSSWEKX-HIFRSBDPSA-N 1 0 317.389 3.188 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000301717071 433690478 /nfs/dbraw/zinc/69/04/78/433690478.db2.gz KQMAVHNCUCYLGA-GASCZTMLSA-N 1 0 321.421 3.205 20 5 DGBDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414525929 433690632 /nfs/dbraw/zinc/69/06/32/433690632.db2.gz NJARDUBYOXVKRI-DOMZBBRYSA-N 1 0 316.357 3.058 20 5 DGBDRO Cc1nc(NCCCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301635488 433651618 /nfs/dbraw/zinc/65/16/18/433651618.db2.gz KTVHEGWYAXDBDR-ZDUSSCGKSA-N 1 0 306.410 3.222 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1F ZINC000366996978 293011894 /nfs/dbraw/zinc/01/18/94/293011894.db2.gz POLAUIWFHKEMLY-UKRRQHHQSA-N 1 0 322.380 3.373 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)C(C)C ZINC000414529820 433696251 /nfs/dbraw/zinc/69/62/51/433696251.db2.gz PPBRMZBGGSIHLT-UONOGXRCSA-N 1 0 300.786 3.133 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(C3CC3)CC2)c2c(c1)COCO2 ZINC000368326113 293115706 /nfs/dbraw/zinc/11/57/06/293115706.db2.gz BWCQVNRGHVPKMJ-UHFFFAOYSA-N 1 0 318.373 3.083 20 5 DGBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000130516515 293121567 /nfs/dbraw/zinc/12/15/67/293121567.db2.gz PKDNGKWUJVKNOP-OAHLLOKOSA-N 1 0 300.362 3.272 20 5 DGBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000356790677 433701947 /nfs/dbraw/zinc/70/19/47/433701947.db2.gz HRALQHHASCJCDH-NXEZZACHSA-N 1 0 317.311 3.142 20 5 DGBDRO Cc1ccc([C@H]2CCCCN2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370044204 293151766 /nfs/dbraw/zinc/15/17/66/293151766.db2.gz AAWHCKGLEYPQDO-OAHLLOKOSA-N 1 0 314.389 3.364 20 5 DGBDRO C[NH+]1CCC2(CCCN(c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000373959135 293336119 /nfs/dbraw/zinc/33/61/19/293336119.db2.gz PAZNRZSXYPOMGE-UHFFFAOYSA-N 1 0 307.369 3.046 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000283397555 433716029 /nfs/dbraw/zinc/71/60/29/433716029.db2.gz FHQLSMGKWQOZAO-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000449528047 433751837 /nfs/dbraw/zinc/75/18/37/433751837.db2.gz MUZOPDROPLSWGG-OICCZTGUSA-N 1 0 304.415 3.435 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]([NH3+])CC(C)C)no2)c1 ZINC000414621689 433753082 /nfs/dbraw/zinc/75/30/82/433753082.db2.gz RVHWEVHNOMJECK-GFCCVEGCSA-N 1 0 320.349 3.089 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1 ZINC000449081461 433723998 /nfs/dbraw/zinc/72/39/98/433723998.db2.gz FMCNIHAOWQBLSI-BZUAXINKSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000293539473 433773823 /nfs/dbraw/zinc/77/38/23/433773823.db2.gz FVDRDIYHZRANJS-CYBMUJFWSA-N 1 0 300.358 3.064 20 5 DGBDRO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000421887512 433794478 /nfs/dbraw/zinc/79/44/78/433794478.db2.gz VYCWTMGSMAYLCU-ZIAGYGMSSA-N 1 0 322.405 3.138 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](N(C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449784965 433800437 /nfs/dbraw/zinc/80/04/37/433800437.db2.gz DCGQVBDZBGSCII-IOBAAEILSA-N 1 0 303.406 3.023 20 5 DGBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1F ZINC000283931452 433801972 /nfs/dbraw/zinc/80/19/72/433801972.db2.gz FBGNORANKAIFGT-NSHDSACASA-N 1 0 303.337 3.475 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000449789491 433802827 /nfs/dbraw/zinc/80/28/27/433802827.db2.gz ZYSUUTZBLWKVCV-BXBOZWQASA-N 1 0 317.433 3.413 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000357013570 433820056 /nfs/dbraw/zinc/82/00/56/433820056.db2.gz VADSGDHCQJTXEI-ZDUSSCGKSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H]1[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CCC[N@@H+]1C ZINC000432144176 433821702 /nfs/dbraw/zinc/82/17/02/433821702.db2.gz VWGADGWWGIPJFN-YPMHNXCESA-N 1 0 300.362 3.038 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000302833990 433875785 /nfs/dbraw/zinc/87/57/85/433875785.db2.gz SXHJRICTVSLZRL-WFASDCNBSA-N 1 0 323.824 3.477 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CCN2Cc1ccc(-n2ccnc2)cc1 ZINC000339854736 433825824 /nfs/dbraw/zinc/82/58/24/433825824.db2.gz JKHWTEYUMMOLAB-UHFFFAOYSA-N 1 0 320.352 3.343 20 5 DGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000293694799 433835652 /nfs/dbraw/zinc/83/56/52/433835652.db2.gz LLONRCOEOCYKRQ-XJKSGUPXSA-N 1 0 321.421 3.188 20 5 DGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000293716066 433839947 /nfs/dbraw/zinc/83/99/47/433839947.db2.gz VDYSWQLPVGXZMV-CYBMUJFWSA-N 1 0 300.358 3.064 20 5 DGBDRO CC(C)[C@@](C)(O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433125516 433840477 /nfs/dbraw/zinc/84/04/77/433840477.db2.gz KTUVOINRBQJLNR-RDJZCZTQSA-N 1 0 306.406 3.314 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433092747 433842107 /nfs/dbraw/zinc/84/21/07/433842107.db2.gz XSDXPEKEFGVTAW-KFNAQCHYSA-N 1 0 304.390 3.068 20 5 DGBDRO CC(C)[C@H](O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433269180 433847346 /nfs/dbraw/zinc/84/73/46/433847346.db2.gz HQGNQQBZNWOCLP-JKSUJKDBSA-N 1 0 306.406 3.314 20 5 DGBDRO CCC([NH3+])(CC)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414804146 433850495 /nfs/dbraw/zinc/85/04/95/433850495.db2.gz NBCLWQSBEMIPGB-UHFFFAOYSA-N 1 0 317.389 3.462 20 5 DGBDRO CCCC[C@@H](C[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414813870 433852740 /nfs/dbraw/zinc/85/27/40/433852740.db2.gz NAIAVASQWJPJAV-ZDUSSCGKSA-N 1 0 317.389 3.462 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000302833987 433878072 /nfs/dbraw/zinc/87/80/72/433878072.db2.gz SXHJRICTVSLZRL-DOMZBBRYSA-N 1 0 323.824 3.477 20 5 DGBDRO CCCC[C@@H](C[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414814874 433857244 /nfs/dbraw/zinc/85/72/44/433857244.db2.gz OLNKFHADNSUMBX-AWEZNQCLSA-N 1 0 317.389 3.462 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC2(O)CCC2)o1 ZINC000284201991 433860230 /nfs/dbraw/zinc/86/02/30/433860230.db2.gz ZANNDCCHTZLXLN-UHFFFAOYSA-N 1 0 316.357 3.250 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(CNCC[C@H]3CCC[NH2+]3)o2)c1 ZINC000414899664 433904257 /nfs/dbraw/zinc/90/42/57/433904257.db2.gz CIQCEZAHKLZEKW-CQSZACIVSA-N 1 0 315.373 3.087 20 5 DGBDRO [NH3+][C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000414895280 433904905 /nfs/dbraw/zinc/90/49/05/433904905.db2.gz WPMQLSZPNDXWPL-HNNXBMFYSA-N 1 0 317.414 3.150 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3C3CC3)o2)cc1 ZINC000377533366 433907494 /nfs/dbraw/zinc/90/74/94/433907494.db2.gz IIFPSCKNEXXESC-CQSZACIVSA-N 1 0 314.345 3.019 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC3(C2)CCOC3)o1 ZINC000293831864 433888337 /nfs/dbraw/zinc/88/83/37/433888337.db2.gz AQYXCDKHMKCZJF-UHFFFAOYSA-N 1 0 314.341 3.077 20 5 DGBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000352053148 433889196 /nfs/dbraw/zinc/88/91/96/433889196.db2.gz QUMQRPCGNUKLIV-HZPDHXFCSA-N 1 0 321.421 3.329 20 5 DGBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000352053149 433891540 /nfs/dbraw/zinc/89/15/40/433891540.db2.gz QUMQRPCGNUKLIV-JKSUJKDBSA-N 1 0 321.421 3.329 20 5 DGBDRO C[C@@H]1SCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000303725670 433961283 /nfs/dbraw/zinc/96/12/83/433961283.db2.gz STHFZFAPKNDQHH-STQMWFEESA-N 1 0 310.419 3.190 20 5 DGBDRO CCOCCC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000285409510 433938968 /nfs/dbraw/zinc/93/89/68/433938968.db2.gz XOSCFPLBRDFLFF-GFCCVEGCSA-N 1 0 307.394 3.034 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000303394439 433939416 /nfs/dbraw/zinc/93/94/16/433939416.db2.gz SLYQFKBLZHOHPW-CQSZACIVSA-N 1 0 315.348 3.420 20 5 DGBDRO C[C@@H]1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]1 ZINC000414956171 293894093 /nfs/dbraw/zinc/89/40/93/293894093.db2.gz UZAHKCVTSRQRSD-TZMCWYRMSA-N 1 0 315.373 3.085 20 5 DGBDRO CC(C)c1ccc(CN[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000414960952 293895498 /nfs/dbraw/zinc/89/54/98/293895498.db2.gz AYGLCPKPGOFWIR-MRXNPFEDSA-N 1 0 305.422 3.196 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000450254000 434059214 /nfs/dbraw/zinc/05/92/14/434059214.db2.gz RMDUSONUUKVQGO-QWHCGFSZSA-N 1 0 312.373 3.182 20 5 DGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500125954 294104902 /nfs/dbraw/zinc/10/49/02/294104902.db2.gz QLVUJBGHSSXIBX-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000501055314 294130167 /nfs/dbraw/zinc/13/01/67/294130167.db2.gz BELWHPVJDCTATF-ZDUSSCGKSA-N 1 0 319.405 3.291 20 5 DGBDRO Cc1cc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)nn1C ZINC000502456607 294165918 /nfs/dbraw/zinc/16/59/18/294165918.db2.gz ZINOEKGSMFHNTH-AWEZNQCLSA-N 1 0 316.405 3.310 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)C[C@H](C)CO)cc1[N+](=O)[O-] ZINC000504905648 294223893 /nfs/dbraw/zinc/22/38/93/294223893.db2.gz LVERMXOHXYNCKU-KCQAQPDRSA-N 1 0 324.421 3.441 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000340446545 434134467 /nfs/dbraw/zinc/13/44/67/434134467.db2.gz NOKXMDHMIQZKJX-IAQYHMDHSA-N 1 0 301.346 3.497 20 5 DGBDRO CC[C@H]([NH2+]CCc1nc(C)oc1C)c1cccc([N+](=O)[O-])c1 ZINC000357777342 434174073 /nfs/dbraw/zinc/17/40/73/434174073.db2.gz HYIFIYMHOWPRDZ-HNNXBMFYSA-N 1 0 303.362 3.483 20 5 DGBDRO CC1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000357815342 434197062 /nfs/dbraw/zinc/19/70/62/434197062.db2.gz XPCFEKVSBFPXIV-UHFFFAOYSA-N 1 0 319.405 3.436 20 5 DGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000286213814 434197249 /nfs/dbraw/zinc/19/72/49/434197249.db2.gz QQPPJCJVLPHXFH-BXUZGUMPSA-N 1 0 321.402 3.500 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000316894585 434197555 /nfs/dbraw/zinc/19/75/55/434197555.db2.gz SORBWERPRRWQRZ-LBPRGKRZSA-N 1 0 304.321 3.464 20 5 DGBDRO C[C@@H](CCO)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295106892 434203910 /nfs/dbraw/zinc/20/39/10/434203910.db2.gz LDGPXCSKCDCKHA-SECBINFHSA-N 1 0 321.204 3.400 20 5 DGBDRO CC[C@H]([NH2+]CCc1cccnc1OC)c1cccc([N+](=O)[O-])c1 ZINC000353538415 434205968 /nfs/dbraw/zinc/20/59/68/434205968.db2.gz HVQJMKKDHSDUSG-INIZCTEOSA-N 1 0 315.373 3.282 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)c2ccccc2C1 ZINC000353590770 434255546 /nfs/dbraw/zinc/25/55/46/434255546.db2.gz VBIURSSYWANURV-UHFFFAOYSA-N 1 0 315.348 3.186 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1O ZINC000353594565 434257458 /nfs/dbraw/zinc/25/74/58/434257458.db2.gz HHABBIYODCVVFV-LBPRGKRZSA-N 1 0 316.357 3.468 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](N[C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423181573 434266524 /nfs/dbraw/zinc/26/65/24/434266524.db2.gz GCLLTPDXLKDVDP-FUHWJXTLSA-N 1 0 311.385 3.026 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC2(C)C)cccc1[N+](=O)[O-] ZINC000516329932 294603504 /nfs/dbraw/zinc/60/35/04/294603504.db2.gz SBTUEPDLNSCBNN-SMDDNHRTSA-N 1 0 305.378 3.008 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286345848 434239554 /nfs/dbraw/zinc/23/95/54/434239554.db2.gz KORVOBCALPQLNF-CYBMUJFWSA-N 1 0 306.410 3.244 20 5 DGBDRO CC1(C)C[C@H](O)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295262843 434281165 /nfs/dbraw/zinc/28/11/65/434281165.db2.gz RIXQVVFGJLEISB-KEDPEKRHSA-N 1 0 304.390 3.091 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(O)c2Cl)cc1 ZINC000328467102 434283640 /nfs/dbraw/zinc/28/36/40/434283640.db2.gz LUPSJODJPPVKBR-UHFFFAOYSA-N 1 0 306.749 3.286 20 5 DGBDRO CCOc1cc(C[NH2+][C@H](C)c2cnn(CC)c2)ccc1[N+](=O)[O-] ZINC000295281602 434287848 /nfs/dbraw/zinc/28/78/48/434287848.db2.gz BJNUAXWKNOGQOM-GFCCVEGCSA-N 1 0 318.377 3.061 20 5 DGBDRO CO[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000384337475 434293084 /nfs/dbraw/zinc/29/30/84/434293084.db2.gz WKBGBEOFRYAFTQ-KRWDZBQOSA-N 1 0 300.358 3.246 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CCC[NH2+]2)c2ccccc2)c1 ZINC000423238201 434305278 /nfs/dbraw/zinc/30/52/78/434305278.db2.gz QVSBFINHDHLKEQ-FUHWJXTLSA-N 1 0 311.385 3.026 20 5 DGBDRO CC[NH2+]CCN[C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000423248913 434309743 /nfs/dbraw/zinc/30/97/43/434309743.db2.gz RLJUTHCZBCOCJM-KRWDZBQOSA-N 1 0 317.389 3.039 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000517285103 294667670 /nfs/dbraw/zinc/66/76/70/294667670.db2.gz VDDDYYZJTDFFSQ-BXUZGUMPSA-N 1 0 307.394 3.336 20 5 DGBDRO CC[C@H]([NH2+]CCCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000387719908 434327648 /nfs/dbraw/zinc/32/76/48/434327648.db2.gz MQYSMHQGUBXWEF-INIZCTEOSA-N 1 0 302.378 3.312 20 5 DGBDRO C[C@@H](N[C@@H](C)C[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423366407 434385136 /nfs/dbraw/zinc/38/51/36/434385136.db2.gz LHCBLRXJSJRABD-WDEREUQCSA-N 1 0 305.403 3.321 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353684993 434335912 /nfs/dbraw/zinc/33/59/12/434335912.db2.gz IFSHEZHLJMDGAM-INWMFGNUSA-N 1 0 314.389 3.196 20 5 DGBDRO CCCC[C@@H](C[NH3+])N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423300187 434350118 /nfs/dbraw/zinc/35/01/18/434350118.db2.gz RBJCTCZLXBUGLT-JSGCOSHPSA-N 1 0 309.410 3.162 20 5 DGBDRO C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000358153473 434352915 /nfs/dbraw/zinc/35/29/15/434352915.db2.gz IUYDFBNURRFAJC-ZBEGNZNMSA-N 1 0 304.321 3.118 20 5 DGBDRO Cc1ncncc1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000519602512 294778223 /nfs/dbraw/zinc/77/82/23/294778223.db2.gz CBFRTBFSDKDRBL-CYBMUJFWSA-N 1 0 314.389 3.367 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000423421091 434416246 /nfs/dbraw/zinc/41/62/46/434416246.db2.gz JRTNHSPRGZFPHP-ACJLOTCBSA-N 1 0 311.385 3.132 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000353780081 434429689 /nfs/dbraw/zinc/42/96/89/434429689.db2.gz KGIGEGAJSMAXMX-HZPDHXFCSA-N 1 0 322.405 3.239 20 5 DGBDRO CCOc1ccc([C@H](C)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423512072 434465997 /nfs/dbraw/zinc/46/59/97/434465997.db2.gz UMRWFQBNLHFOEV-SWLSCSKDSA-N 1 0 321.421 3.162 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000287898116 434474131 /nfs/dbraw/zinc/47/41/31/434474131.db2.gz ZMBHNWNTFLATDS-XHVZSJERSA-N 1 0 318.295 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000366648160 434476046 /nfs/dbraw/zinc/47/60/46/434476046.db2.gz ACBUKOFRMHDSKA-VXGBXAGGSA-N 1 0 310.781 3.107 20 5 DGBDRO Cc1cc(NCc2ccn3ccnc3c2)c(F)cc1[N+](=O)[O-] ZINC000360046764 434491795 /nfs/dbraw/zinc/49/17/95/434491795.db2.gz HZPRRSFXISTZKW-UHFFFAOYSA-N 1 0 300.293 3.302 20 5 DGBDRO Cc1cc(N(CC[NH+](C)C)Cc2ccco2)c(F)cc1[N+](=O)[O-] ZINC000360050805 434493729 /nfs/dbraw/zinc/49/37/29/434493729.db2.gz LXQYRJGEVYEHRW-UHFFFAOYSA-N 1 0 321.352 3.204 20 5 DGBDRO Cc1c([C@H](C)[NH2+]Cc2cnn3ccccc23)cccc1[N+](=O)[O-] ZINC000353936498 434534884 /nfs/dbraw/zinc/53/48/84/434534884.db2.gz ZBGVTXNJVXSTGG-ZDUSSCGKSA-N 1 0 310.357 3.402 20 5 DGBDRO [NH3+]CCN(Cc1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000348920162 434555718 /nfs/dbraw/zinc/55/57/18/434555718.db2.gz ISBVLGMYBFILRJ-UHFFFAOYSA-N 1 0 311.794 3.275 20 5 DGBDRO Cc1nc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000408284367 434559848 /nfs/dbraw/zinc/55/98/48/434559848.db2.gz XQVZBNGDAXIJHH-VNHYZAJKSA-N 1 0 318.421 3.140 20 5 DGBDRO CCn1cc(C[N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)cn1 ZINC000527304109 295090400 /nfs/dbraw/zinc/09/04/00/295090400.db2.gz FABAHXMHBBWBIX-ZSOIEALJSA-N 1 0 314.389 3.347 20 5 DGBDRO Cc1cc(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000439131127 434570641 /nfs/dbraw/zinc/57/06/41/434570641.db2.gz VGNSMLFUYFFKTC-DYVFJYSZSA-N 1 0 314.389 3.402 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1[C@@H](C)CCC1(C)C ZINC000452020456 434581859 /nfs/dbraw/zinc/58/18/59/434581859.db2.gz ZUXSOQSOZBUOEW-LBPRGKRZSA-N 1 0 305.378 3.105 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NCC2(C[NH+](C)C)CCCC2)c1 ZINC000338692990 295254799 /nfs/dbraw/zinc/25/47/99/295254799.db2.gz ABFMBBOTYSYSIA-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](OC)C(C)C)cc1[N+](=O)[O-] ZINC000349207376 434637374 /nfs/dbraw/zinc/63/73/74/434637374.db2.gz GWZPZFDZTHKGKO-MLGOLLRUSA-N 1 0 310.394 3.315 20 5 DGBDRO CC[C@H](CCO)[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000349201414 434637418 /nfs/dbraw/zinc/63/74/18/434637418.db2.gz KQJKSNPLCCTRNK-OLZOCXBDSA-N 1 0 312.435 3.216 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC2CCCCC2)c(F)c1 ZINC000418125906 434597963 /nfs/dbraw/zinc/59/79/63/434597963.db2.gz KEWOZOHVQOCPAC-AWEZNQCLSA-N 1 0 310.369 3.155 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000349248184 434649777 /nfs/dbraw/zinc/64/97/77/434649777.db2.gz REMKCQATHXSBMZ-MLGOLLRUSA-N 1 0 308.378 3.071 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000360677149 434664821 /nfs/dbraw/zinc/66/48/21/434664821.db2.gz VTJRLDLURARCJR-BETUJISGSA-N 1 0 306.410 3.078 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000360684953 434668146 /nfs/dbraw/zinc/66/81/46/434668146.db2.gz IIGCNOYYFSTSMI-GFCCVEGCSA-N 1 0 306.410 3.221 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)C2CCSCC2)cc1[N+](=O)[O-] ZINC000354212046 434670918 /nfs/dbraw/zinc/67/09/18/434670918.db2.gz OVWGXIRFPSVSFQ-LLVKDONJSA-N 1 0 310.419 3.225 20 5 DGBDRO COc1cccc2c1C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000459701177 434671082 /nfs/dbraw/zinc/67/10/82/434671082.db2.gz NDEMNQHVHPZFHB-WHWKNOJMSA-N 1 0 324.380 3.374 20 5 DGBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC(C)(C)C1 ZINC000459736358 434687055 /nfs/dbraw/zinc/68/70/55/434687055.db2.gz GBIYGACOZPFJKV-UHFFFAOYSA-N 1 0 316.361 3.265 20 5 DGBDRO CC(C)c1ccc(C[N@H+](C)CCCn2ccnc2)cc1[N+](=O)[O-] ZINC000349405065 434705547 /nfs/dbraw/zinc/70/55/47/434705547.db2.gz HIUIQGHMBZONHV-UHFFFAOYSA-N 1 0 316.405 3.437 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459766824 434706032 /nfs/dbraw/zinc/70/60/32/434706032.db2.gz PVFHVIIJBADSHO-SHUKQUCYSA-N 1 0 317.389 3.090 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459775626 434713552 /nfs/dbraw/zinc/71/35/52/434713552.db2.gz VDZSTJNMPNVGFY-SHUKQUCYSA-N 1 0 317.389 3.090 20 5 DGBDRO CCC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000459800511 434725440 /nfs/dbraw/zinc/72/54/40/434725440.db2.gz KHGSRXUXJORLQU-INIZCTEOSA-N 1 0 319.405 3.116 20 5 DGBDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000411306484 434757051 /nfs/dbraw/zinc/75/70/51/434757051.db2.gz GEAWZQCGFUJODQ-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC1(C)C ZINC000419323036 434774259 /nfs/dbraw/zinc/77/42/59/434774259.db2.gz TVVHDXSKAXBPKN-KBPBESRZSA-N 1 0 319.405 3.256 20 5 DGBDRO CCc1cnccc1[C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000361119870 434801640 /nfs/dbraw/zinc/80/16/40/434801640.db2.gz NRUBJHDLWRGATR-CYBMUJFWSA-N 1 0 315.373 3.282 20 5 DGBDRO CCc1cnccc1[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000361119780 434802030 /nfs/dbraw/zinc/80/20/30/434802030.db2.gz MLHNPORFKRVZFQ-ZDUSSCGKSA-N 1 0 315.373 3.282 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411844708 434834582 /nfs/dbraw/zinc/83/45/82/434834582.db2.gz CXIYAAZWLGSJEU-ZDUSSCGKSA-N 1 0 314.389 3.146 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000361238237 434838556 /nfs/dbraw/zinc/83/85/56/434838556.db2.gz SRJHOTMTCROPSF-JKSUJKDBSA-N 1 0 322.405 3.285 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000453275323 434847493 /nfs/dbraw/zinc/84/74/93/434847493.db2.gz LETGHLJQFFNHTB-GFCCVEGCSA-N 1 0 310.394 3.053 20 5 DGBDRO CCCC[C@H](C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000521693307 434893000 /nfs/dbraw/zinc/89/30/00/434893000.db2.gz KFCURZAIXJXIFZ-ZDUSSCGKSA-N 1 0 307.394 3.352 20 5 DGBDRO Cc1cc(N2CC[C@H](C[NH+]3CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461951660 434893194 /nfs/dbraw/zinc/89/31/94/434893194.db2.gz XTDJTRLTYHTBMJ-CQSZACIVSA-N 1 0 321.396 3.355 20 5 DGBDRO Cc1cc(N2CCC[N@@H+](C3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461960543 434894384 /nfs/dbraw/zinc/89/43/84/434894384.db2.gz UNMQTHZDEHPXRM-UHFFFAOYSA-N 1 0 321.396 3.497 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1C ZINC000462888869 434935422 /nfs/dbraw/zinc/93/54/22/434935422.db2.gz HUVQBYABXWACND-MWLCHTKSSA-N 1 0 315.320 3.091 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000522417775 434922940 /nfs/dbraw/zinc/92/29/40/434922940.db2.gz PENULMWGYZKRIP-CQSZACIVSA-N 1 0 306.410 3.365 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000556842655 435030182 /nfs/dbraw/zinc/03/01/82/435030182.db2.gz IKPVJVGBDNHWPS-ZDUSSCGKSA-N 1 0 314.389 3.285 20 5 DGBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492414610 434978114 /nfs/dbraw/zinc/97/81/14/434978114.db2.gz BQVZZZCWLBNWCK-HNNXBMFYSA-N 1 0 312.797 3.375 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000464743690 434996347 /nfs/dbraw/zinc/99/63/47/434996347.db2.gz ZSFWHIDNZAFMTD-MRXNPFEDSA-N 1 0 322.405 3.493 20 5 DGBDRO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000466463730 435078807 /nfs/dbraw/zinc/07/88/07/435078807.db2.gz GXWHZGRWXHHJHH-CQSZACIVSA-N 1 0 319.405 3.354 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000466489263 435078979 /nfs/dbraw/zinc/07/89/79/435078979.db2.gz AJHGAGAMHMURIX-UONOGXRCSA-N 1 0 319.405 3.434 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000530724507 435048780 /nfs/dbraw/zinc/04/87/80/435048780.db2.gz VBVFQVKKUIYQIF-KRWDZBQOSA-N 1 0 313.357 3.206 20 5 DGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000467205086 435111059 /nfs/dbraw/zinc/11/10/59/435111059.db2.gz FYXFBZZXKALHRD-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1([NH+](C)C)CCCC1 ZINC000531689095 435111879 /nfs/dbraw/zinc/11/18/79/435111879.db2.gz SSSZJLQEYDJVMB-CQSZACIVSA-N 1 0 305.422 3.428 20 5 DGBDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531714972 435112999 /nfs/dbraw/zinc/11/29/99/435112999.db2.gz IIRNEVBJPFWIBF-HOCLYGCPSA-N 1 0 305.422 3.428 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[C@H]1C ZINC000467433182 435121418 /nfs/dbraw/zinc/12/14/18/435121418.db2.gz PBJWUAOQCSBAGV-MCIONIFRSA-N 1 0 319.405 3.338 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000532025041 435135864 /nfs/dbraw/zinc/13/58/64/435135864.db2.gz RBKQZGJIFVYBJB-SUMWQHHRSA-N 1 0 318.373 3.080 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000532196543 435146120 /nfs/dbraw/zinc/14/61/20/435146120.db2.gz YKFCIUQUWUFIAJ-BLLLJJGKSA-N 1 0 314.389 3.365 20 5 DGBDRO C[NH+](C)CC1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000579977576 435197425 /nfs/dbraw/zinc/19/74/25/435197425.db2.gz GRJQOKGKPNACLS-INIZCTEOSA-N 1 0 317.433 3.294 20 5 DGBDRO CC(C)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CC1 ZINC000561060694 435198124 /nfs/dbraw/zinc/19/81/24/435198124.db2.gz RMZDZVYSGPGTPC-UHFFFAOYSA-N 1 0 316.361 3.265 20 5 DGBDRO CCOc1cc(N2CC[NH+](C[C@H](C)CC)CC2)ccc1[N+](=O)[O-] ZINC000475487109 435200020 /nfs/dbraw/zinc/20/00/20/435200020.db2.gz NLHNWCAVAMUIBV-CQSZACIVSA-N 1 0 321.421 3.162 20 5 DGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)[C@@H](C)C1 ZINC000561359197 435213435 /nfs/dbraw/zinc/21/34/35/435213435.db2.gz WBUMGHQDTOQDBR-ZDUSSCGKSA-N 1 0 321.421 3.303 20 5 DGBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000478282930 435295632 /nfs/dbraw/zinc/29/56/32/435295632.db2.gz VQDMSKHPLVPEQG-DZGCQCFKSA-N 1 0 310.369 3.417 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H](C)C[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC000479962736 435359927 /nfs/dbraw/zinc/35/99/27/435359927.db2.gz SSLROMMMHSZNOC-LBPRGKRZSA-N 1 0 307.394 3.330 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2CCCC[C@@H]2O)C2CC2)c1 ZINC000514605713 435424090 /nfs/dbraw/zinc/42/40/90/435424090.db2.gz OPKQZNRSCASVPV-YOEHRIQHSA-N 1 0 304.390 3.110 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000481180932 435414001 /nfs/dbraw/zinc/41/40/01/435414001.db2.gz VGPZCHPJHOBWRM-ZBFHGGJFSA-N 1 0 314.385 3.097 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccc2c1OCO2 ZINC000568533031 435447482 /nfs/dbraw/zinc/44/74/82/435447482.db2.gz NLSRAUSTXGZPAV-AWEZNQCLSA-N 1 0 312.325 3.101 20 5 DGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC(C)(C)C1 ZINC000514943491 435451478 /nfs/dbraw/zinc/45/14/78/435451478.db2.gz DYMAGNASPASIRH-OAHLLOKOSA-N 1 0 322.405 3.253 20 5 DGBDRO COc1ccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000514952830 435451793 /nfs/dbraw/zinc/45/17/93/435451793.db2.gz RSJHCFRZAWGOOX-QGZVFWFLSA-N 1 0 312.369 3.423 20 5 DGBDRO CCCC[C@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000568697772 435462124 /nfs/dbraw/zinc/46/21/24/435462124.db2.gz ATTRAYJCMVVRBH-ZDUSSCGKSA-N 1 0 307.394 3.068 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000515367164 435479325 /nfs/dbraw/zinc/47/93/25/435479325.db2.gz WKFHFBLRYVJHTH-CYBMUJFWSA-N 1 0 314.389 3.285 20 5 DGBDRO Cc1cc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)s1 ZINC000514838274 435441435 /nfs/dbraw/zinc/44/14/35/435441435.db2.gz YBEDTEIGIYCXEZ-UHFFFAOYSA-N 1 0 316.386 3.439 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538717489 435514465 /nfs/dbraw/zinc/51/44/65/435514465.db2.gz FBRLCSDFIZNIRO-QWHCGFSZSA-N 1 0 314.389 3.226 20 5 DGBDRO CC[N@@H+]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000569370047 435528281 /nfs/dbraw/zinc/52/82/81/435528281.db2.gz WWWXSKONRHSIBN-UHFFFAOYSA-N 1 0 318.204 3.434 20 5 DGBDRO CO[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000483856806 435532859 /nfs/dbraw/zinc/53/28/59/435532859.db2.gz HLUUPDFGHAVJSC-WBVHZDCISA-N 1 0 306.406 3.177 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000538408204 435497477 /nfs/dbraw/zinc/49/74/77/435497477.db2.gz CCJFUPZXVCETMB-IAGOWNOFSA-N 1 0 318.417 3.465 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000538451216 435500400 /nfs/dbraw/zinc/50/04/00/435500400.db2.gz JOIGNSHMBBWXFH-WETOOIFXSA-N 1 0 304.390 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000539081289 435538225 /nfs/dbraw/zinc/53/82/25/435538225.db2.gz VFVGWAZNYIXVRM-QGZVFWFLSA-N 1 0 316.332 3.390 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOCc1ccccc1 ZINC000569591231 435544645 /nfs/dbraw/zinc/54/46/45/435544645.db2.gz YIRZGBMZFVHDTC-QGZVFWFLSA-N 1 0 312.369 3.389 20 5 DGBDRO CC(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000540962182 435629737 /nfs/dbraw/zinc/62/97/37/435629737.db2.gz VBQKGDMOTOIEFZ-HIFRSBDPSA-N 1 0 306.406 3.311 20 5 DGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000540395824 435600250 /nfs/dbraw/zinc/60/02/50/435600250.db2.gz AVXKKVAWMXFTFR-JLJPHGGASA-N 1 0 306.406 3.321 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCc1ccccc1F ZINC000570810718 435651729 /nfs/dbraw/zinc/65/17/29/435651729.db2.gz FIWDDYWIZWYLNB-UHFFFAOYSA-N 1 0 302.349 3.451 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2scnc2C2CC2)cc1 ZINC000570877285 435658134 /nfs/dbraw/zinc/65/81/34/435658134.db2.gz YRMPNFAZTIKGCY-UHFFFAOYSA-N 1 0 319.386 3.097 20 5 DGBDRO C[C@@H]1C[C@H](C)[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000548096944 435670075 /nfs/dbraw/zinc/67/00/75/435670075.db2.gz YDPDZVYTDABBGC-TXEJJXNPSA-N 1 0 301.346 3.275 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC000548156309 435673554 /nfs/dbraw/zinc/67/35/54/435673554.db2.gz CXFVCTNYJHNKPN-NSHDSACASA-N 1 0 321.764 3.373 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000520243404 435730385 /nfs/dbraw/zinc/73/03/85/435730385.db2.gz BWZVSNXVIOWUNF-HNNXBMFYSA-N 1 0 318.421 3.446 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000572947856 435883755 /nfs/dbraw/zinc/88/37/55/435883755.db2.gz UUJCAAKLCUCGOM-FOLVSLTJSA-N 1 0 306.406 3.463 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)C1CC1 ZINC000297542415 304807480 /nfs/dbraw/zinc/80/74/80/304807480.db2.gz FDHHBZZAFARSBD-KBRIMQKVSA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1cccc(NCC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000133462447 312668694 /nfs/dbraw/zinc/66/86/94/312668694.db2.gz FJKAVDDSIHSJGN-VMPITWQZSA-N 1 0 312.373 3.013 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCS1)C1CC1 ZINC000168660269 312696082 /nfs/dbraw/zinc/69/60/82/312696082.db2.gz VOHNQWNSZSUNTE-LSDHHAIUSA-N 1 0 306.431 3.401 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000530340415 313359857 /nfs/dbraw/zinc/35/98/57/313359857.db2.gz IMJPMZCKGPWZKD-OOFRTQJVSA-N 1 0 304.390 3.091 20 5 DGBDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000530517651 313379347 /nfs/dbraw/zinc/37/93/47/313379347.db2.gz WJCHKPJBBCMRAG-QGZVFWFLSA-N 1 0 316.357 3.202 20 5 DGBDRO CCC1(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCOCC1 ZINC000541901573 314048086 /nfs/dbraw/zinc/04/80/86/314048086.db2.gz GZCVTAIHAXLAIH-UHFFFAOYSA-N 1 0 304.390 3.160 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000544188351 314179204 /nfs/dbraw/zinc/17/92/04/314179204.db2.gz YRIFKYCPKAHWLF-STQMWFEESA-N 1 0 319.405 3.290 20 5 DGBDRO CCC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000544575284 314200362 /nfs/dbraw/zinc/20/03/62/314200362.db2.gz CKRZAAQLQIYPRQ-KRWDZBQOSA-N 1 0 315.373 3.500 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C(C)(C)c1cnn(C)c1 ZINC000547414222 314365418 /nfs/dbraw/zinc/36/54/18/314365418.db2.gz NEADBXQKZLWZCT-GFCCVEGCSA-N 1 0 302.378 3.223 20 5 DGBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548160239 314427456 /nfs/dbraw/zinc/42/74/56/314427456.db2.gz TZJZSIFIPCEGJM-ZIAGYGMSSA-N 1 0 319.405 3.482 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(C)CCCO1 ZINC000551295000 314557207 /nfs/dbraw/zinc/55/72/07/314557207.db2.gz XWJNLDNVCMCUHE-XHDPSFHLSA-N 1 0 312.797 3.338 20 5 DGBDRO COc1ccc(C[NH2+]CC2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000557800399 314820257 /nfs/dbraw/zinc/82/02/57/314820257.db2.gz RUNQWANNFCFIAE-UHFFFAOYSA-N 1 0 312.369 3.108 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc2c(c1)OCO2 ZINC000563416568 315113270 /nfs/dbraw/zinc/11/32/70/315113270.db2.gz GPXOSLWLHXYEMB-CQSZACIVSA-N 1 0 312.325 3.101 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000563704383 315132674 /nfs/dbraw/zinc/13/26/74/315132674.db2.gz YKLYEBXNDICSDW-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCCC[C@@H]2O)C2CC2)cc1 ZINC000565988844 315302555 /nfs/dbraw/zinc/30/25/55/315302555.db2.gz GKOTTZZSHODCCE-PBHICJAKSA-N 1 0 304.390 3.110 20 5 DGBDRO Cc1nc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])sc1C ZINC000566475775 315350350 /nfs/dbraw/zinc/35/03/50/315350350.db2.gz PSPYUHQEYVILPL-AWEZNQCLSA-N 1 0 317.414 3.488 20 5 DGBDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475103 315350563 /nfs/dbraw/zinc/35/05/63/315350563.db2.gz JZAQGDZLRWERND-JOYOIKCWSA-N 1 0 318.295 3.139 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566968609 315386980 /nfs/dbraw/zinc/38/69/80/315386980.db2.gz BEUDCNLBIYBXDT-ZIAGYGMSSA-N 1 0 319.405 3.339 20 5 DGBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000567992984 315469659 /nfs/dbraw/zinc/46/96/59/315469659.db2.gz CUYZMGSELNDFDM-ZWNOBZJWSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000570985974 315688978 /nfs/dbraw/zinc/68/89/78/315688978.db2.gz WZVRWAFPUBTELB-BBRMVZONSA-N 1 0 310.353 3.175 20 5 DGBDRO CC[C@@]1(C(C)C)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571197881 315703835 /nfs/dbraw/zinc/70/38/35/315703835.db2.gz ANEMWGARFHOIKK-WBVHZDCISA-N 1 0 319.405 3.338 20 5 DGBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000573366406 315861307 /nfs/dbraw/zinc/86/13/07/315861307.db2.gz MNUKNFCFOFYGTR-KRWDZBQOSA-N 1 0 314.385 3.444 20 5 DGBDRO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000573707938 315893518 /nfs/dbraw/zinc/89/35/18/315893518.db2.gz NWCCHNULYXIFCW-UFBFGSQYSA-N 1 0 318.204 3.288 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000574100569 315932167 /nfs/dbraw/zinc/93/21/67/315932167.db2.gz UGXGLTRGMJAKIG-IVSAIRAKSA-N 1 0 302.374 3.129 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000575000334 316023714 /nfs/dbraw/zinc/02/37/14/316023714.db2.gz VSACJHOSSAZDIK-BNOWGMLFSA-N 1 0 310.781 3.151 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000576221156 316107317 /nfs/dbraw/zinc/10/73/17/316107317.db2.gz YBZHBWGECDVFFX-KSSFIOAISA-N 1 0 314.385 3.157 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000576766357 316166191 /nfs/dbraw/zinc/16/61/91/316166191.db2.gz PINKBOJHJMWLTR-UHFFFAOYSA-N 1 0 307.394 3.352 20 5 DGBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000577693148 316260078 /nfs/dbraw/zinc/26/00/78/316260078.db2.gz CFZDOJNEOZIZNK-GOEBONIOSA-N 1 0 302.330 3.122 20 5 DGBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)c1ccccc1 ZINC000180013328 323219886 /nfs/dbraw/zinc/21/98/86/323219886.db2.gz ITDRVGZKWABDPW-HNNXBMFYSA-N 1 0 316.405 3.137 20 5 DGBDRO CC(C)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000181789457 323269625 /nfs/dbraw/zinc/26/96/25/323269625.db2.gz VKXXULVBUCEDSX-HNNXBMFYSA-N 1 0 302.378 3.168 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCC[C@H](C)[NH+]1CCCCC1 ZINC000182338845 323294585 /nfs/dbraw/zinc/29/45/85/323294585.db2.gz ZTTOPVZEKXFTPZ-AWEZNQCLSA-N 1 0 321.421 3.418 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)c2ccccc2)c1 ZINC000183582357 323342452 /nfs/dbraw/zinc/34/24/52/323342452.db2.gz DLWPARHGNIAAHF-YJLNNSPDSA-N 1 0 324.380 3.211 20 5 DGBDRO Cc1csc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000184232369 323359323 /nfs/dbraw/zinc/35/93/23/323359323.db2.gz ZOFKVLQJGRDTAU-LLVKDONJSA-N 1 0 307.375 3.089 20 5 DGBDRO CC[NH+]1CCC(CNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000391192533 323670323 /nfs/dbraw/zinc/67/03/23/323670323.db2.gz ZHWFMKSMALKPBE-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000579613715 323894632 /nfs/dbraw/zinc/89/46/32/323894632.db2.gz AGCNZRJXXQFCIL-HOTGVXAUSA-N 1 0 316.332 3.044 20 5 DGBDRO CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580464775 324002260 /nfs/dbraw/zinc/00/22/60/324002260.db2.gz WVVMDZYKLYLKCN-IUODEOHRSA-N 1 0 306.406 3.359 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000581142374 324079674 /nfs/dbraw/zinc/07/96/74/324079674.db2.gz MFAQSUGEUSMLER-YRGRVCCFSA-N 1 0 312.316 3.332 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000581842358 324159359 /nfs/dbraw/zinc/15/93/59/324159359.db2.gz GPAGLVAQAXEJTP-SOUVJXGZSA-N 1 0 306.406 3.353 20 5 DGBDRO [NH3+]CCN(Cc1ccnc2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000582149265 324195375 /nfs/dbraw/zinc/19/53/75/324195375.db2.gz DLVJOVGWKSPHFB-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CCCC[C@H]3O)C2)cc1 ZINC000582847908 324283683 /nfs/dbraw/zinc/28/36/83/324283683.db2.gz CEGMSBUWYCDXGX-SOLBZPMBSA-N 1 0 318.417 3.325 20 5 DGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000583551705 324368252 /nfs/dbraw/zinc/36/82/52/324368252.db2.gz CIUPNDOKSQLOCN-UHFFFAOYSA-N 1 0 322.384 3.338 20 5 DGBDRO CC[NH2+]CCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000570210448 332725897 /nfs/dbraw/zinc/72/58/97/332725897.db2.gz CELAGAXPFZJVPR-UHFFFAOYSA-N 1 0 307.397 3.117 20 5 DGBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429566444 533749686 /nfs/dbraw/zinc/74/96/86/533749686.db2.gz KBARANWAAIHXLO-FZMZJTMJSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H](C[NH3+])N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435389245 533789737 /nfs/dbraw/zinc/78/97/37/533789737.db2.gz LNCXRLNOOFKAGD-NSHDSACASA-N 1 0 305.403 3.102 20 5 DGBDRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330817103 533815618 /nfs/dbraw/zinc/81/56/18/533815618.db2.gz GIYGQXQOIQGYLR-UPJWGTAASA-N 1 0 319.405 3.336 20 5 DGBDRO Cc1c(CN(C)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000173959931 533842615 /nfs/dbraw/zinc/84/26/15/533842615.db2.gz WYHFKPDKJNVQKD-MRXNPFEDSA-N 1 0 305.422 3.209 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C[N@@H+]1C1CC1 ZINC000413181425 533968387 /nfs/dbraw/zinc/96/83/87/533968387.db2.gz FIAQQNKWUVNVKJ-NEPJUHHUSA-N 1 0 312.373 3.180 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305770569 533973297 /nfs/dbraw/zinc/97/32/97/533973297.db2.gz OXNFMJLHFOEBBQ-DEYYWGMASA-N 1 0 314.385 3.238 20 5 DGBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295576043 534449097 /nfs/dbraw/zinc/44/90/97/534449097.db2.gz BAMGOUFBCDOJBW-CSPWOOARSA-N 1 0 315.417 3.024 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](CCO)CSC)c1cccc([N+](=O)[O-])c1 ZINC000160284769 520788222 /nfs/dbraw/zinc/78/82/22/520788222.db2.gz VQKNIGXKJBFYMH-DZGCQCFKSA-N 1 0 312.435 3.140 20 5 DGBDRO CCC[C@H]([NH2+][C@H](CCO)CSC)c1cccc([N+](=O)[O-])c1 ZINC000160284893 521177550 /nfs/dbraw/zinc/17/75/50/521177550.db2.gz VQKNIGXKJBFYMH-HIFRSBDPSA-N 1 0 312.435 3.140 20 5 DGBDRO [NH3+]CC1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000428138370 534596634 /nfs/dbraw/zinc/59/66/34/534596634.db2.gz QHFDWVKFGRSQKF-UHFFFAOYSA-N 1 0 319.408 3.199 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNCCC[NH2+]C3CC3)o2)cc1 ZINC000415065428 534881430 /nfs/dbraw/zinc/88/14/30/534881430.db2.gz GHJPWSXQYCKXPW-UHFFFAOYSA-N 1 0 315.373 3.087 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000294985170 534887564 /nfs/dbraw/zinc/88/75/64/534887564.db2.gz GZLZLMZIZBLBMZ-OHFALNGGSA-N 1 0 318.417 3.057 20 5 DGBDRO CC(C)(CO)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349562 527204560 /nfs/dbraw/zinc/20/45/60/527204560.db2.gz LSBUTMLHDRQFDE-INIZCTEOSA-N 1 0 306.406 3.361 20 5 DGBDRO CC(=O)c1ccc(N[C@@H](C)C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000302489889 527318334 /nfs/dbraw/zinc/31/83/34/527318334.db2.gz ZPSNKEJTNPNTNQ-ZDUSSCGKSA-N 1 0 319.405 3.474 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCO[C@H]2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433304381 527748752 /nfs/dbraw/zinc/74/87/52/527748752.db2.gz NAJSTNWUXWEEHD-ULQDDVLXSA-N 1 0 316.401 3.474 20 5 DGBDRO CC(C)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000444774478 527777817 /nfs/dbraw/zinc/77/78/17/527777817.db2.gz WNDHIAXAWKBLRV-KBPBESRZSA-N 1 0 319.405 3.290 20 5 DGBDRO CO[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000483856804 536514633 /nfs/dbraw/zinc/51/46/33/536514633.db2.gz HLUUPDFGHAVJSC-RDJZCZTQSA-N 1 0 306.406 3.177 20 5 DGBDRO CCC[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427864777 528241780 /nfs/dbraw/zinc/24/17/80/528241780.db2.gz FTHOJMZCTGHCRK-HOCLYGCPSA-N 1 0 314.389 3.237 20 5 DGBDRO CCOc1cc(NC[C@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000315478868 528327485 /nfs/dbraw/zinc/32/74/85/528327485.db2.gz AOWJBWDVSWVFKU-ZDUSSCGKSA-N 1 0 307.394 3.137 20 5 DGBDRO CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435616138 528783451 /nfs/dbraw/zinc/78/34/51/528783451.db2.gz RKBAZXOYWKERCT-CQSZACIVSA-N 1 0 311.813 3.212 20 5 DGBDRO CC(C)[N@H+](C)CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000319204979 528818575 /nfs/dbraw/zinc/81/85/75/528818575.db2.gz ZTXAKDYHYFQIJY-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO CC(C)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000430094019 529117600 /nfs/dbraw/zinc/11/76/00/529117600.db2.gz JTKFFYGNGFMEHT-JZLODUJNSA-N 1 0 318.417 3.385 20 5 DGBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451502129 534932442 /nfs/dbraw/zinc/93/24/42/534932442.db2.gz PWMHLBUVPLEUPU-GJZGRUSLSA-N 1 0 310.369 3.416 20 5 DGBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000460353300 534947724 /nfs/dbraw/zinc/94/77/24/534947724.db2.gz GDRWTEVUJJJMMK-KGLIPLIRSA-N 1 0 319.405 3.482 20 5 DGBDRO CC(C)(C)OCCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489017223 534976350 /nfs/dbraw/zinc/97/63/50/534976350.db2.gz QBARPVXPAXFBSI-UHFFFAOYSA-N 1 0 324.425 3.024 20 5 DGBDRO CC(C)[N@H+](CCn1cc(Cl)cn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000459305854 535075717 /nfs/dbraw/zinc/07/57/17/535075717.db2.gz PELRKUGWVGPFHA-UHFFFAOYSA-N 1 0 322.796 3.355 20 5 DGBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449639728 535815255 /nfs/dbraw/zinc/81/52/55/535815255.db2.gz QEKJXODEYGLXCR-HZPDHXFCSA-N 1 0 318.373 3.494 20 5 DGBDRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449566059 536117748 /nfs/dbraw/zinc/11/77/48/536117748.db2.gz MUSZVXYBVJRCQP-CHWSQXEVSA-N 1 0 302.378 3.093 20 5 DGBDRO COc1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449534214 536861496 /nfs/dbraw/zinc/86/14/96/536861496.db2.gz GIFOKSZJRLONCI-YOEHRIQHSA-N 1 0 302.374 3.224 20 5 DGBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc2ccccc2c2cccnc12 ZINC000237919758 546289461 /nfs/dbraw/zinc/28/94/61/546289461.db2.gz IHFFYYWWCTYOCO-HNNXBMFYSA-N 1 0 319.408 3.260 20 5 DGBDRO Cc1cc(C)c(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000731678955 574556850 /nfs/dbraw/zinc/55/68/50/574556850.db2.gz TWERUCIJSXQGDL-GOSISDBHSA-N 1 0 314.385 3.343 20 5 DGBDRO Cc1c(COC(=O)[C@H](C)[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000741029987 574949446 /nfs/dbraw/zinc/94/94/46/574949446.db2.gz UNMRNUQMWXWPEE-AWEZNQCLSA-N 1 0 320.389 3.211 20 5 DGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000742422993 574999328 /nfs/dbraw/zinc/99/93/28/574999328.db2.gz HAUGLWATQLTIAQ-GOSISDBHSA-N 1 0 311.385 3.306 20 5 DGBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000743499976 575054947 /nfs/dbraw/zinc/05/49/47/575054947.db2.gz RVQUGQPBAYXOTL-ZYHUDNBSSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@@H](NC(=O)CCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000729325048 575234213 /nfs/dbraw/zinc/23/42/13/575234213.db2.gz MNNAMGKBDWHSCJ-CQSZACIVSA-N 1 0 319.405 3.038 20 5 DGBDRO C[C@@H]([NH2+][C@H](CCO)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000746049150 575429189 /nfs/dbraw/zinc/42/91/89/575429189.db2.gz LDBDNUMUJDRVLR-BXUZGUMPSA-N 1 0 306.387 3.431 20 5 DGBDRO CC(C)C[N@H+](CCc1ccc(F)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746066301 575430252 /nfs/dbraw/zinc/43/02/52/575430252.db2.gz UAHNORPJMHNRRQ-UHFFFAOYSA-N 1 0 320.368 3.089 20 5 DGBDRO Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747209988 575506247 /nfs/dbraw/zinc/50/62/47/575506247.db2.gz PYNGLSNWBIBIAW-LLVKDONJSA-N 1 0 309.797 3.453 20 5 DGBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748242366 575574668 /nfs/dbraw/zinc/57/46/68/575574668.db2.gz LWBAJORTAROYGN-AWEZNQCLSA-N 1 0 314.769 3.070 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000749644966 575670498 /nfs/dbraw/zinc/67/04/98/575670498.db2.gz GDUMSPKPOZTITI-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749675433 575672003 /nfs/dbraw/zinc/67/20/03/575672003.db2.gz LFNRZSSXRFVUOH-KSSFIOAISA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1nn(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749940944 575690811 /nfs/dbraw/zinc/69/08/11/575690811.db2.gz MFIHECVJFCVCHK-YPMHNXCESA-N 1 0 317.393 3.116 20 5 DGBDRO Cc1nn(C[N@H+]2CCC[C@@H]2CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749949218 575691199 /nfs/dbraw/zinc/69/11/99/575691199.db2.gz LYCKSEXRWBPDPS-CYBMUJFWSA-N 1 0 317.393 3.116 20 5 DGBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C(C1CC1)C1CC1 ZINC000750604577 575741734 /nfs/dbraw/zinc/74/17/34/575741734.db2.gz VVBXVNLZENTZQX-UHFFFAOYSA-N 1 0 300.362 3.022 20 5 DGBDRO C[C@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@H]1C ZINC000751926641 575812177 /nfs/dbraw/zinc/81/21/77/575812177.db2.gz ICTZDSVWTDXKRH-BETUJISGSA-N 1 0 300.362 3.004 20 5 DGBDRO CC(C)[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000728052384 576160382 /nfs/dbraw/zinc/16/03/82/576160382.db2.gz CTUNNMDOEMFMIF-JTQLQIEISA-N 1 0 313.785 3.163 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C3CCC3)C2)cc1 ZINC000852674151 620639712 /nfs/dbraw/zinc/63/97/12/620639712.db2.gz XWXQDPHORJFCIW-RDJZCZTQSA-N 1 0 304.390 3.140 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]C[C@H]1COCCO1 ZINC000916839961 620646751 /nfs/dbraw/zinc/64/67/51/620646751.db2.gz SDHRQWAMQJHOHS-KRWDZBQOSA-N 1 0 307.393 3.498 20 5 DGBDRO C[NH+](C)C1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000111158398 620675116 /nfs/dbraw/zinc/67/51/16/620675116.db2.gz OFNPBPMHOUDQRH-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO CC1CC[NH+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000111193288 620680667 /nfs/dbraw/zinc/68/06/67/620680667.db2.gz AMSDYCKALRATDQ-UHFFFAOYSA-N 1 0 320.418 3.348 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000918197526 620700566 /nfs/dbraw/zinc/70/05/66/620700566.db2.gz ITULFTMINIFNQI-INIZCTEOSA-N 1 0 320.776 3.380 20 5 DGBDRO CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CCCC1 ZINC000853490378 620701225 /nfs/dbraw/zinc/70/12/25/620701225.db2.gz BZSMUKDNDOLLQY-UHFFFAOYSA-N 1 0 315.377 3.075 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840870915 618043859 /nfs/dbraw/zinc/04/38/59/618043859.db2.gz AVPGKBZKNQRQFU-DTWKUNHWSA-N 1 0 305.300 3.416 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892668846 618131751 /nfs/dbraw/zinc/13/17/51/618131751.db2.gz RJGHMMKGSNUCFJ-GFCCVEGCSA-N 1 0 311.813 3.070 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000894473535 618344037 /nfs/dbraw/zinc/34/40/37/618344037.db2.gz VVNPHDPLGPWACS-MRXNPFEDSA-N 1 0 320.776 3.462 20 5 DGBDRO CC(C)C[C@@H](CCO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893083118 618418257 /nfs/dbraw/zinc/41/82/57/618418257.db2.gz KCHKJGCQTNCXSO-GFCCVEGCSA-N 1 0 314.813 3.383 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2nccn2C2CC2)cc1 ZINC000893092796 618422391 /nfs/dbraw/zinc/42/23/91/618422391.db2.gz ROEFRFQTIGDZMU-UHFFFAOYSA-N 1 0 314.389 3.239 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CCCc2cccs2)c1[N+](=O)[O-] ZINC000893228509 618481844 /nfs/dbraw/zinc/48/18/44/618481844.db2.gz AVBNYZHCVFZRPB-UHFFFAOYSA-N 1 0 322.386 3.093 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000894915144 618498396 /nfs/dbraw/zinc/49/83/96/618498396.db2.gz JCHSBHRBDLBXMF-TZMCWYRMSA-N 1 0 300.786 3.133 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000894915142 618498561 /nfs/dbraw/zinc/49/85/61/618498561.db2.gz JCHSBHRBDLBXMF-JSGCOSHPSA-N 1 0 300.786 3.133 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000895569036 618801494 /nfs/dbraw/zinc/80/14/94/618801494.db2.gz RDCVUMXRJXCJNW-SECBINFHSA-N 1 0 306.259 3.405 20 5 DGBDRO CC1([NH+]2CCC2)CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000895671569 618816352 /nfs/dbraw/zinc/81/63/52/618816352.db2.gz QZAMVOBHFZMFAH-DAXSKMNVSA-N 1 0 315.417 3.168 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@]2(C)Br)cc1[N+](=O)[O-] ZINC000895833825 618839632 /nfs/dbraw/zinc/83/96/32/618839632.db2.gz PUGBRZWCGFDPJE-AAEUAGOBSA-N 1 0 313.195 3.166 20 5 DGBDRO C[NH+](C)CC[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1cccnc1 ZINC000895893491 618846720 /nfs/dbraw/zinc/84/67/20/618846720.db2.gz XQFMCIVCSMLXDH-AWEZNQCLSA-N 1 0 318.352 3.234 20 5 DGBDRO Cc1ccnc(NC2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000896254088 618892440 /nfs/dbraw/zinc/89/24/40/618892440.db2.gz GECJLSAEHSVFNX-UHFFFAOYSA-N 1 0 304.394 3.117 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897035499 619004842 /nfs/dbraw/zinc/00/48/42/619004842.db2.gz UMTCBQBNQOATSG-XQRVVYSFSA-N 1 0 316.401 3.235 20 5 DGBDRO COc1nccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1F ZINC000897460416 619130148 /nfs/dbraw/zinc/13/01/48/619130148.db2.gz RXWXWARRIAVKDX-LLVKDONJSA-N 1 0 319.336 3.031 20 5 DGBDRO Cc1c(F)nccc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460205 619130202 /nfs/dbraw/zinc/13/02/02/619130202.db2.gz FSFXWSIUHFMCPQ-NSHDSACASA-N 1 0 303.337 3.331 20 5 DGBDRO CC(C)n1ccnc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460300 619130225 /nfs/dbraw/zinc/13/02/25/619130225.db2.gz GYMSUHYDHUFSMN-CYBMUJFWSA-N 1 0 302.378 3.266 20 5 DGBDRO Cc1ncc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000897460751 619130290 /nfs/dbraw/zinc/13/02/90/619130290.db2.gz VWRALMXRZBMRAM-NEPJUHHUSA-N 1 0 314.389 3.456 20 5 DGBDRO C[C@@H](C[NH2+]C[C@@H]1CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000897461853 619130556 /nfs/dbraw/zinc/13/05/56/619130556.db2.gz ZGBQNFYPOKJDFS-UWVGGRQHSA-N 1 0 303.189 3.482 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cnc(C2CC2)o1)c1ccccc1[N+](=O)[O-] ZINC000897461739 619130570 /nfs/dbraw/zinc/13/05/70/619130570.db2.gz WTLJLQDHWGIVDL-NSHDSACASA-N 1 0 301.346 3.354 20 5 DGBDRO CC(C)n1cncc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465653 619130694 /nfs/dbraw/zinc/13/06/94/619130694.db2.gz YZGGTWXNDBJJPO-CYBMUJFWSA-N 1 0 302.378 3.266 20 5 DGBDRO Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469955 619131874 /nfs/dbraw/zinc/13/18/74/619131874.db2.gz USFNYYZWJBWKQA-SNVBAGLBSA-N 1 0 322.796 3.183 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c(Cl)c1 ZINC000897507331 619140790 /nfs/dbraw/zinc/14/07/90/619140790.db2.gz BEMAPLGIYZMAEQ-DZGCQCFKSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000897969165 619200758 /nfs/dbraw/zinc/20/07/58/619200758.db2.gz FTVVNJWUDURZMH-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCC=CCCC3)C2)c1 ZINC000898027878 619207364 /nfs/dbraw/zinc/20/73/64/619207364.db2.gz BWJCJCVHPSLRLW-NFOMZHRRSA-N 1 0 304.394 3.221 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cccc1[N+](=O)[O-] ZINC000926941184 619251435 /nfs/dbraw/zinc/25/14/35/619251435.db2.gz AJCZCOVCWPHZHF-BARDWOONSA-N 1 0 302.374 3.145 20 5 DGBDRO C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000926964299 619253320 /nfs/dbraw/zinc/25/33/20/619253320.db2.gz RFEYJJIOYVRHEZ-ZWNOBZJWSA-N 1 0 319.327 3.128 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc2C1 ZINC000902853479 619685498 /nfs/dbraw/zinc/68/54/98/619685498.db2.gz OBGUWWXBUHUMMY-CJNGLKHVSA-N 1 0 312.369 3.324 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000902964674 619697953 /nfs/dbraw/zinc/69/79/53/619697953.db2.gz SQDQTEZBXVLPCL-XHBKTUGNSA-N 1 0 312.369 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccco2)cc([N+](=O)[O-])c1 ZINC000903061336 619708110 /nfs/dbraw/zinc/70/81/10/619708110.db2.gz DLLCLMCIVLEGAO-RYUDHWBXSA-N 1 0 304.346 3.478 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCCC(C)(C)CO)cc([N+](=O)[O-])c1 ZINC000903100610 619716482 /nfs/dbraw/zinc/71/64/82/619716482.db2.gz TWUKVSSTONMJMM-LBPRGKRZSA-N 1 0 310.394 3.053 20 5 DGBDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903103507 619717185 /nfs/dbraw/zinc/71/71/85/619717185.db2.gz JAJBRYUDZSTMGW-QWHCGFSZSA-N 1 0 310.394 3.053 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2c(C)noc2C)cc([N+](=O)[O-])c1 ZINC000903092212 619718692 /nfs/dbraw/zinc/71/86/92/619718692.db2.gz ISBWBSVVERPJQU-JTQLQIEISA-N 1 0 319.361 3.102 20 5 DGBDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903158152 619727082 /nfs/dbraw/zinc/72/70/82/619727082.db2.gz RLRCYRBJQIPCIX-LBPRGKRZSA-N 1 0 310.394 3.195 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@](C)(OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903175141 619730289 /nfs/dbraw/zinc/73/02/89/619730289.db2.gz QFDAEYSFMKZLMK-ZBEGNZNMSA-N 1 0 308.378 3.069 20 5 DGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903182686 619731677 /nfs/dbraw/zinc/73/16/77/619731677.db2.gz FDPBLENZKHHMDC-IUIKQTSFSA-N 1 0 308.378 3.212 20 5 DGBDRO Cc1ccc([C@@H](C)NCc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000903203980 619736336 /nfs/dbraw/zinc/73/63/36/619736336.db2.gz ZNYXLSXYPIYNJO-CYBMUJFWSA-N 1 0 314.389 3.215 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)[C@@](C)(OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903186127 619736505 /nfs/dbraw/zinc/73/65/05/619736505.db2.gz NPPQYLSEEIJRBE-XWCIJXRUSA-N 1 0 322.405 3.458 20 5 DGBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cn1 ZINC000903187706 619736757 /nfs/dbraw/zinc/73/67/57/619736757.db2.gz VXEFICCTNSSINW-RYUDHWBXSA-N 1 0 318.377 3.232 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cn1 ZINC000903187707 619736803 /nfs/dbraw/zinc/73/68/03/619736803.db2.gz VXEFICCTNSSINW-VXGBXAGGSA-N 1 0 318.377 3.232 20 5 DGBDRO COCC1CCC([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903190432 619737179 /nfs/dbraw/zinc/73/71/79/619737179.db2.gz VCKLGDZFJCIVHO-DNOWBOINSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)C2(OC)CCC2)cc([N+](=O)[O-])c1 ZINC000903190036 619737192 /nfs/dbraw/zinc/73/71/92/619737192.db2.gz NPSKRKRIPBZZDK-VXGBXAGGSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@]2(C)CCCCO2)cc([N+](=O)[O-])c1 ZINC000903224798 619737485 /nfs/dbraw/zinc/73/74/85/619737485.db2.gz ASTMCOZCYGAFFT-LRDDRELGSA-N 1 0 308.378 3.213 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000903222030 619741408 /nfs/dbraw/zinc/74/14/08/619741408.db2.gz WWRVPCFSKNWSLU-XNJGSVPQSA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCCc2cn[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000903246160 619743502 /nfs/dbraw/zinc/74/35/02/619743502.db2.gz RQFJWNFEJKRNQN-FZMZJTMJSA-N 1 0 300.362 3.089 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCCc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC000903244879 619743512 /nfs/dbraw/zinc/74/35/12/619743512.db2.gz FWPNTXCRAGLOID-RISCZKNCSA-N 1 0 300.362 3.089 20 5 DGBDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000903244924 619743524 /nfs/dbraw/zinc/74/35/24/619743524.db2.gz GODQWBODZHJULW-CHWSQXEVSA-N 1 0 317.393 3.222 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCCc2cn[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000903246159 619743706 /nfs/dbraw/zinc/74/37/06/619743706.db2.gz RQFJWNFEJKRNQN-BXUZGUMPSA-N 1 0 300.362 3.089 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)cc([N+](=O)[O-])c1 ZINC000903252535 619745034 /nfs/dbraw/zinc/74/50/34/619745034.db2.gz NDYPURXOIAPDQS-CXMBCZLWSA-N 1 0 320.389 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000903279743 619751516 /nfs/dbraw/zinc/75/15/16/619751516.db2.gz PDTHIJMVMKCRTA-QFGMFMRMSA-N 1 0 322.380 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CCO)C1CCCC1 ZINC000903297045 619752742 /nfs/dbraw/zinc/75/27/42/619752742.db2.gz OFMJJXZFKIKYIX-WBMJQRKESA-N 1 0 324.396 3.196 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288284 619754797 /nfs/dbraw/zinc/75/47/97/619754797.db2.gz WADMMCVHHAHRAO-CDMKHQONSA-N 1 0 318.295 3.355 20 5 DGBDRO CO[C@@]1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000903313903 619758075 /nfs/dbraw/zinc/75/80/75/619758075.db2.gz CHCGKUNEWJNIQI-JKSUJKDBSA-N 1 0 322.430 3.084 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC(CCO)C1)CCCC2 ZINC000903331672 619762522 /nfs/dbraw/zinc/76/25/22/619762522.db2.gz FEBVIQMOYLFJDK-AJUCZRQESA-N 1 0 304.390 3.113 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CCO)cc2)cc1[N+](=O)[O-] ZINC000903397706 619769386 /nfs/dbraw/zinc/76/93/86/619769386.db2.gz RLHWSWXSQDXQMW-CQSZACIVSA-N 1 0 314.385 3.289 20 5 DGBDRO Cc1ncccc1CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000903419348 619773480 /nfs/dbraw/zinc/77/34/80/619773480.db2.gz VRCPYGBTNVJOGT-LBPRGKRZSA-N 1 0 317.364 3.201 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2COC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000903435370 619775104 /nfs/dbraw/zinc/77/51/04/619775104.db2.gz DFYSNHJKTHPUHF-CQDKDKBSSA-N 1 0 320.389 3.069 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000903485032 619781227 /nfs/dbraw/zinc/78/12/27/619781227.db2.gz YRLIKKDBJMIKKW-AWEZNQCLSA-N 1 0 309.797 3.013 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959901 619840030 /nfs/dbraw/zinc/84/00/30/619840030.db2.gz RMTUDJUTMNKJCV-SUQGKYDKSA-N 1 0 315.417 3.074 20 5 DGBDRO CCC1([NH3+])CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000903946827 619843938 /nfs/dbraw/zinc/84/39/38/619843938.db2.gz CBVGGTBIYPTJTE-UHFFFAOYSA-N 1 0 305.422 3.422 20 5 DGBDRO O=[N+]([O-])CC[NH2+]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000905227220 619978888 /nfs/dbraw/zinc/97/88/88/619978888.db2.gz CSPTXEMJLVMVNE-UHFFFAOYSA-N 1 0 322.714 3.257 20 5 DGBDRO CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000905852852 620037841 /nfs/dbraw/zinc/03/78/41/620037841.db2.gz NOPGYFHPBABEJE-KGLIPLIRSA-N 1 0 321.421 3.279 20 5 DGBDRO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000908269810 620197389 /nfs/dbraw/zinc/19/73/89/620197389.db2.gz WCZFRCYOOWSYKA-CQSZACIVSA-N 1 0 319.405 3.272 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c(C)c1 ZINC000921687656 620933801 /nfs/dbraw/zinc/93/38/01/620933801.db2.gz IOXBXWBHGYGNTQ-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1nccc2c1CCCC2 ZINC000921791151 620950107 /nfs/dbraw/zinc/95/01/07/620950107.db2.gz KMBBRLBSIVBRJT-UHFFFAOYSA-N 1 0 311.385 3.201 20 5 DGBDRO COc1cc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000922431664 621037505 /nfs/dbraw/zinc/03/75/05/621037505.db2.gz BOFMKDPBYCKAJL-OBJOEFQTSA-N 1 0 320.389 3.138 20 5 DGBDRO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000922542083 621054017 /nfs/dbraw/zinc/05/40/17/621054017.db2.gz CDYZCZHFXLNIPA-GFCCVEGCSA-N 1 0 302.378 3.397 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc3c(s2)CCC3)c(F)c1 ZINC000922714018 621088360 /nfs/dbraw/zinc/08/83/60/621088360.db2.gz CJPVSJVDTOZXHD-UHFFFAOYSA-N 1 0 321.377 3.011 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000922892051 621119528 /nfs/dbraw/zinc/11/95/28/621119528.db2.gz MPLZGCJOOOJHFU-RDJZCZTQSA-N 1 0 304.390 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c(F)c1 ZINC000922968709 621141411 /nfs/dbraw/zinc/14/14/11/621141411.db2.gz WLHVYDWFTGRCNY-CQSZACIVSA-N 1 0 308.353 3.315 20 5 DGBDRO [NH3+]CC[C@H]1Cc2ccccc2N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000923545910 621192908 /nfs/dbraw/zinc/19/29/08/621192908.db2.gz UPJAHTZWABQUHA-LBPRGKRZSA-N 1 0 317.414 3.184 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859583071 621294642 /nfs/dbraw/zinc/29/46/42/621294642.db2.gz PZBFQRYBHLRWDL-GOSISDBHSA-N 1 0 312.369 3.078 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000839181404 621343689 /nfs/dbraw/zinc/34/36/89/621343689.db2.gz IARFYJBECXEWQD-KBPBESRZSA-N 1 0 310.781 3.295 20 5 DGBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC(C)(C)C1 ZINC000839191376 621346996 /nfs/dbraw/zinc/34/69/96/621346996.db2.gz ISMFADMRVKSTKO-UHFFFAOYSA-N 1 0 323.368 3.183 20 5 DGBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000860053230 621360212 /nfs/dbraw/zinc/36/02/12/621360212.db2.gz TUKLLIVLSCHUCQ-NSHDSACASA-N 1 0 307.375 3.171 20 5 DGBDRO CC(C)[C@@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839461076 621372309 /nfs/dbraw/zinc/37/23/09/621372309.db2.gz ZHHXLHWBMSMAIN-SNVBAGLBSA-N 1 0 313.785 3.163 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)c1ccccc1)C1CC1 ZINC000117899154 621466116 /nfs/dbraw/zinc/46/61/16/621466116.db2.gz WXWUVPISQMUOMF-GOSISDBHSA-N 1 0 312.369 3.293 20 5 DGBDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754171935 621493828 /nfs/dbraw/zinc/49/38/28/621493828.db2.gz XJBVFDUSTSGXGX-NXEZZACHSA-N 1 0 313.785 3.211 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000754835751 621536303 /nfs/dbraw/zinc/53/63/03/621536303.db2.gz UXGZYLIEWRAMAH-USXIJHARSA-N 1 0 316.401 3.341 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC(C2CCC2)C2CCC2)cc1 ZINC000863563867 621683885 /nfs/dbraw/zinc/68/38/85/621683885.db2.gz PXYOMVHBMSRZSB-GOSISDBHSA-N 1 0 318.417 3.434 20 5 DGBDRO C[C@H]([NH3+])CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000863652850 621694262 /nfs/dbraw/zinc/69/42/62/621694262.db2.gz XSBVYOJZXQHBKM-NSHDSACASA-N 1 0 305.403 3.102 20 5 DGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000757797341 621740070 /nfs/dbraw/zinc/74/00/70/621740070.db2.gz VINCTHCUNHZYHP-ZANVPECISA-N 1 0 318.402 3.099 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000757864954 621743876 /nfs/dbraw/zinc/74/38/76/621743876.db2.gz CVCOMRCSUYQZDW-QLFBSQMISA-N 1 0 324.471 3.372 20 5 DGBDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000120221959 621810425 /nfs/dbraw/zinc/81/04/25/621810425.db2.gz BPJOZXHIJKFQPT-CVEARBPZSA-N 1 0 314.389 3.407 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC23CCCCC3)c1 ZINC000759394224 621852658 /nfs/dbraw/zinc/85/26/58/621852658.db2.gz BBRYGMQXDQXGQO-INIZCTEOSA-N 1 0 304.390 3.427 20 5 DGBDRO COC(=O)CC1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCCCC1 ZINC000759736942 621886712 /nfs/dbraw/zinc/88/67/12/621886712.db2.gz NDWZBMCQFAVWEO-UHFFFAOYSA-N 1 0 324.352 3.090 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c(F)c1 ZINC000865760948 621990170 /nfs/dbraw/zinc/99/01/70/621990170.db2.gz AEOMDWPXPRXCFW-BBRMVZONSA-N 1 0 308.353 3.029 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCSCCC(F)(F)F ZINC000865788850 621995890 /nfs/dbraw/zinc/99/58/90/621995890.db2.gz HELNPJNFGRNRPE-UHFFFAOYSA-N 1 0 308.325 3.370 20 5 DGBDRO Cc1nn(C[NH+]2CCCCCCC2)c2cc([N+](=O)[O-])ccc12 ZINC000761276502 621998784 /nfs/dbraw/zinc/99/87/84/621998784.db2.gz YCBCWTZASAFQSM-UHFFFAOYSA-N 1 0 302.378 3.477 20 5 DGBDRO Cc1nn(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293071 621999431 /nfs/dbraw/zinc/99/94/31/621999431.db2.gz PJJZYKLNMLLNGO-ZIAGYGMSSA-N 1 0 314.389 3.332 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2C2CCC2)c2cc([N+](=O)[O-])ccc12 ZINC000761289239 621999441 /nfs/dbraw/zinc/99/94/41/621999441.db2.gz FIOITGYSAGCXGW-INIZCTEOSA-N 1 0 314.389 3.475 20 5 DGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761290346 621999506 /nfs/dbraw/zinc/99/95/06/621999506.db2.gz IDOOPVHMBGARBI-WCQYABFASA-N 1 0 302.378 3.331 20 5 DGBDRO Cc1nn(C[N@@H+](CC2CC2)C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761288891 621999702 /nfs/dbraw/zinc/99/97/02/621999702.db2.gz WDZQOBXHDFKUNW-UHFFFAOYSA-N 1 0 302.378 3.331 20 5 DGBDRO Cc1cnccc1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528144 622014882 /nfs/dbraw/zinc/01/48/82/622014882.db2.gz LHPBJXDBIMWCTI-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCF)CC2)c(C(F)F)c1 ZINC000865902548 622017912 /nfs/dbraw/zinc/01/79/12/622017912.db2.gz XSGMRSSLQAJSAI-UHFFFAOYSA-N 1 0 317.311 3.014 20 5 DGBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)CC[C@H]21 ZINC000866209819 622066682 /nfs/dbraw/zinc/06/66/82/622066682.db2.gz VVBZOYWYIKJWBY-ZWNOBZJWSA-N 1 0 311.332 3.063 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccnc1 ZINC000866214800 622067132 /nfs/dbraw/zinc/06/71/32/622067132.db2.gz GOWZCRQFHAEUPB-RYUDHWBXSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1cccnc1 ZINC000866214798 622067304 /nfs/dbraw/zinc/06/73/04/622067304.db2.gz GOWZCRQFHAEUPB-NWDGAFQWSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccn1 ZINC000866214381 622067311 /nfs/dbraw/zinc/06/73/11/622067311.db2.gz NXBTVBZCKMVZFG-VXGBXAGGSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866222541 622069420 /nfs/dbraw/zinc/06/94/20/622069420.db2.gz IUGJHKMCHDYTRH-RYUDHWBXSA-N 1 0 306.337 3.479 20 5 DGBDRO Cc1ccc(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000866231304 622071002 /nfs/dbraw/zinc/07/10/02/622071002.db2.gz WDWFFTOOPPZSDQ-NSHDSACASA-N 1 0 306.337 3.399 20 5 DGBDRO Cc1ccc(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000866231303 622071056 /nfs/dbraw/zinc/07/10/56/622071056.db2.gz WDWFFTOOPPZSDQ-LLVKDONJSA-N 1 0 306.337 3.399 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cccc(O)c1 ZINC000866253181 622076687 /nfs/dbraw/zinc/07/66/87/622076687.db2.gz XGDFJMCUIGYZOC-NSHDSACASA-N 1 0 304.321 3.160 20 5 DGBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866259908 622078689 /nfs/dbraw/zinc/07/86/89/622078689.db2.gz QYHLXTLQTSYWQO-MNOVXSKESA-N 1 0 320.368 3.058 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866264631 622079752 /nfs/dbraw/zinc/07/97/52/622079752.db2.gz CAHRMKZYTNYIFX-OZVIIMIRSA-N 1 0 312.385 3.052 20 5 DGBDRO CSCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866269588 622080656 /nfs/dbraw/zinc/08/06/56/622080656.db2.gz JYXVBPPSCAYEMW-MNOVXSKESA-N 1 0 300.399 3.396 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)CCCO ZINC000866290018 622086182 /nfs/dbraw/zinc/08/61/82/622086182.db2.gz PVIDDIXZTLTZDD-LBPRGKRZSA-N 1 0 312.385 3.053 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000866313069 622091706 /nfs/dbraw/zinc/09/17/06/622091706.db2.gz VHBGLNVWVCCVPE-DLBZAZTESA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000866339782 622097300 /nfs/dbraw/zinc/09/73/00/622097300.db2.gz DVAMVSKKQLWOPN-JGFGOQIWSA-N 1 0 322.380 3.212 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[C@@H]1CCOC1 ZINC000866368355 622104404 /nfs/dbraw/zinc/10/44/04/622104404.db2.gz AVPYZTWBYRGUIW-QWHCGFSZSA-N 1 0 310.369 3.071 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000866370297 622105222 /nfs/dbraw/zinc/10/52/22/622105222.db2.gz UNHAAQVTLDNLHQ-QWHCGFSZSA-N 1 0 324.396 3.460 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)c1ccccn1 ZINC000866384533 622107761 /nfs/dbraw/zinc/10/77/61/622107761.db2.gz BOLASMPUBIHECI-QWHCGFSZSA-N 1 0 317.364 3.453 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccnc(F)c1)C1CC1 ZINC000866474707 622123686 /nfs/dbraw/zinc/12/36/86/622123686.db2.gz ZYXQEDMVUCDXBI-HNNXBMFYSA-N 1 0 315.348 3.240 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866532243 622133545 /nfs/dbraw/zinc/13/35/45/622133545.db2.gz VOEMHIFYHHDGQW-GXTWGEPZSA-N 1 0 319.405 3.034 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000866538788 622135134 /nfs/dbraw/zinc/13/51/34/622135134.db2.gz ZXVIXGJZJKGDEU-NUTKFTJISA-N 1 0 304.390 3.308 20 5 DGBDRO COc1cccc(C[C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000866539265 622135191 /nfs/dbraw/zinc/13/51/91/622135191.db2.gz APPLYYPKTVSWMT-CYBMUJFWSA-N 1 0 315.373 3.028 20 5 DGBDRO C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC000866570252 622140514 /nfs/dbraw/zinc/14/05/14/622140514.db2.gz FCROTYNSVGIIBZ-ZDUSSCGKSA-N 1 0 324.384 3.375 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806143780 622224624 /nfs/dbraw/zinc/22/46/24/622224624.db2.gz PKYBHYWDCIBZCQ-ZDUSSCGKSA-N 1 0 303.749 3.420 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2C2CCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764970041 622236739 /nfs/dbraw/zinc/23/67/39/622236739.db2.gz DVOXVLQAOZMNHB-MRXNPFEDSA-N 1 0 314.389 3.475 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000765253683 622253837 /nfs/dbraw/zinc/25/38/37/622253837.db2.gz KXKFHSPRKJUYNE-ZFWWWQNUSA-N 1 0 305.422 3.428 20 5 DGBDRO COc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000765261859 622254877 /nfs/dbraw/zinc/25/48/77/622254877.db2.gz OYZZJAFQMOMYHW-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848603 622291248 /nfs/dbraw/zinc/29/12/48/622291248.db2.gz IOMKBRMKUOWGJG-DAXOMENPSA-N 1 0 306.406 3.433 20 5 DGBDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848974 622291465 /nfs/dbraw/zinc/29/14/65/622291465.db2.gz MNEMGHHPTBSSNI-OCBCSQNSSA-N 1 0 312.369 3.151 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000766141928 622309377 /nfs/dbraw/zinc/30/93/77/622309377.db2.gz OFUKOBNYMVNGRL-WFASDCNBSA-N 1 0 304.346 3.189 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000766193652 622311642 /nfs/dbraw/zinc/31/16/42/622311642.db2.gz NLWKSRNLEQBMSG-CYBMUJFWSA-N 1 0 312.369 3.423 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000766255811 622315735 /nfs/dbraw/zinc/31/57/35/622315735.db2.gz XSVMRWSGZGPXAH-RYUDHWBXSA-N 1 0 311.813 3.163 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000766375324 622325185 /nfs/dbraw/zinc/32/51/85/622325185.db2.gz UGMNKJBTEZJSMI-VXGBXAGGSA-N 1 0 302.378 3.188 20 5 DGBDRO C[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@H]1C ZINC000766380659 622325888 /nfs/dbraw/zinc/32/58/88/622325888.db2.gz KAYDNQINTLDDFQ-UONOGXRCSA-N 1 0 314.389 3.394 20 5 DGBDRO CC(=O)c1c(NC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000881772999 625560835 /nfs/dbraw/zinc/56/08/35/625560835.db2.gz MLFMOFNBMUCYMS-UHFFFAOYSA-N 1 0 305.378 3.082 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881810386 625568700 /nfs/dbraw/zinc/56/87/00/625568700.db2.gz QSOPVGKHUVBJGM-GFCCVEGCSA-N 1 0 310.373 3.195 20 5 DGBDRO CCC[NH+]1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872017475 622753401 /nfs/dbraw/zinc/75/34/01/622753401.db2.gz ADPAVWGULVKSIB-LBPRGKRZSA-N 1 0 309.385 3.259 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)c1ccco1 ZINC000872021106 622755934 /nfs/dbraw/zinc/75/59/34/622755934.db2.gz OFPVDFDUOUDKOY-ZWNOBZJWSA-N 1 0 322.386 3.294 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021702 622755950 /nfs/dbraw/zinc/75/59/50/622755950.db2.gz SPYLFJSZNPRCST-ZUZCIYMTSA-N 1 0 322.311 3.257 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000872024611 622757919 /nfs/dbraw/zinc/75/79/19/622757919.db2.gz UKUAXSGUBSTAGC-NEPJUHHUSA-N 1 0 309.435 3.062 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872027935 622760688 /nfs/dbraw/zinc/76/06/88/622760688.db2.gz GYEMDSKZQBQEJG-DTWKUNHWSA-N 1 0 324.274 3.352 20 5 DGBDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872027929 622761231 /nfs/dbraw/zinc/76/12/31/622761231.db2.gz GYEMDSKZQBQEJG-BDAKNGLRSA-N 1 0 324.274 3.352 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@H+](C)C(C)C ZINC000872031503 622762772 /nfs/dbraw/zinc/76/27/72/622762772.db2.gz PRFOTBSOINKTBR-GFCCVEGCSA-N 1 0 311.451 3.308 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031322 622763016 /nfs/dbraw/zinc/76/30/16/622763016.db2.gz IWPBXCKEWFUFNJ-NHYWBVRUSA-N 1 0 310.369 3.326 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(O)ccc1F ZINC000872033956 622764981 /nfs/dbraw/zinc/76/49/81/622764981.db2.gz KOXVQXSZBWPQLG-NSHDSACASA-N 1 0 304.321 3.333 20 5 DGBDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035960 622765967 /nfs/dbraw/zinc/76/59/67/622765967.db2.gz QZWTXYWMEUFZCS-PXAZEXFGSA-N 1 0 318.348 3.292 20 5 DGBDRO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036317 622766720 /nfs/dbraw/zinc/76/67/20/622766720.db2.gz RIRZNQDIXHALLT-MLGOLLRUSA-N 1 0 318.348 3.427 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000872037672 622767699 /nfs/dbraw/zinc/76/76/99/622767699.db2.gz DOWYLZSLNPONGP-FRRDWIJNSA-N 1 0 323.462 3.450 20 5 DGBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872042320 622770560 /nfs/dbraw/zinc/77/05/60/622770560.db2.gz BQYUOWYGZNEQBV-UHIISALHSA-N 1 0 322.336 3.490 20 5 DGBDRO C[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042054 622770708 /nfs/dbraw/zinc/77/07/08/622770708.db2.gz MIJZDQNBAOUOLA-WOPDTQHZSA-N 1 0 307.369 3.010 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048650 622774273 /nfs/dbraw/zinc/77/42/73/622774273.db2.gz KZIYRQAEURQPLG-NWDGAFQWSA-N 1 0 308.353 3.486 20 5 DGBDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872052321 622777449 /nfs/dbraw/zinc/77/74/49/622777449.db2.gz CFMILIICNHOAFJ-ABAIWWIYSA-N 1 0 310.369 3.182 20 5 DGBDRO Cc1ncsc1CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872075658 622791252 /nfs/dbraw/zinc/79/12/52/622791252.db2.gz TZYGBMHIYLWZCZ-JTQLQIEISA-N 1 0 309.366 3.392 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1(CO)CC1 ZINC000872077026 622791863 /nfs/dbraw/zinc/79/18/63/622791863.db2.gz XNSYNIIKMKAHDV-LLVKDONJSA-N 1 0 310.419 3.130 20 5 DGBDRO C[C@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089790 622799892 /nfs/dbraw/zinc/79/98/92/622799892.db2.gz FGSIXEFTDRVYQL-GXTWGEPZSA-N 1 0 321.396 3.401 20 5 DGBDRO C[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872096435 622804227 /nfs/dbraw/zinc/80/42/27/622804227.db2.gz ZXFZAGVPAAGLAT-ABAIWWIYSA-N 1 0 310.369 3.326 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872109085 622811972 /nfs/dbraw/zinc/81/19/72/622811972.db2.gz HDNUZGDLVCUWTD-VKZRIFJHSA-N 1 0 318.417 3.463 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2C[C@H](O)C2)c2ccccc2)c1 ZINC000872126463 622821932 /nfs/dbraw/zinc/82/19/32/622821932.db2.gz OBYHRZDVMASKAU-FSPWUOQZSA-N 1 0 312.369 3.045 20 5 DGBDRO COc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000872128319 622822728 /nfs/dbraw/zinc/82/27/28/622822728.db2.gz KWKIXKHHVXFUJB-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO O=C(CC[NH2+]CCC[C@H]1C=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000872247798 622865899 /nfs/dbraw/zinc/86/58/99/622865899.db2.gz NVTIDSNDWNSURI-AWEZNQCLSA-N 1 0 317.389 3.259 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000772982414 622960510 /nfs/dbraw/zinc/96/05/10/622960510.db2.gz ISINWXOSLBEDIJ-GFCCVEGCSA-N 1 0 314.341 3.217 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000873049906 623025425 /nfs/dbraw/zinc/02/54/25/623025425.db2.gz IEHZKTUFFIOTKM-SFHVURJKSA-N 1 0 314.385 3.209 20 5 DGBDRO Cc1noc(C)c1[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873096709 623035335 /nfs/dbraw/zinc/03/53/35/623035335.db2.gz VVNOXKFWIQECHR-SNVBAGLBSA-N 1 0 303.362 3.401 20 5 DGBDRO Cc1c(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000873106097 623037295 /nfs/dbraw/zinc/03/72/95/623037295.db2.gz HWXSKZLVNSAWSW-SJORKVTESA-N 1 0 304.390 3.198 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC1CC([NH+]2CCCCC2)C1 ZINC000873117845 623039596 /nfs/dbraw/zinc/03/95/96/623039596.db2.gz OZNKNYLRFCTVAW-UHFFFAOYSA-N 1 0 317.433 3.318 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873126465 623041764 /nfs/dbraw/zinc/04/17/64/623041764.db2.gz HPWBIRKMDXYJRQ-CXAGYDPISA-N 1 0 300.358 3.115 20 5 DGBDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873129757 623042775 /nfs/dbraw/zinc/04/27/75/623042775.db2.gz SNVLAAKBMHHBAV-GFCCVEGCSA-N 1 0 320.311 3.350 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000873138935 623047073 /nfs/dbraw/zinc/04/70/73/623047073.db2.gz ZNTGTTVNFXRUNZ-UHFFFAOYSA-N 1 0 314.389 3.112 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(C)(C)COC ZINC000873153370 623051779 /nfs/dbraw/zinc/05/17/79/623051779.db2.gz OYHUPGUNZSVGMP-UHFFFAOYSA-N 1 0 310.394 3.146 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c(Cl)c1 ZINC000873155356 623053835 /nfs/dbraw/zinc/05/38/35/623053835.db2.gz DOVRYJIDAAFNHS-XEGUGMAKSA-N 1 0 310.781 3.295 20 5 DGBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000873194766 623069359 /nfs/dbraw/zinc/06/93/59/623069359.db2.gz VRCWOEGBVGZXSH-DZGCQCFKSA-N 1 0 306.387 3.258 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000774133841 623110566 /nfs/dbraw/zinc/11/05/66/623110566.db2.gz HYGBIUZGBRARDP-KDOFPFPSSA-N 1 0 317.433 3.436 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000774473479 623149673 /nfs/dbraw/zinc/14/96/73/623149673.db2.gz BXVJGDBQEPIDOK-HIFRSBDPSA-N 1 0 320.389 3.240 20 5 DGBDRO CCC[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CC1 ZINC000774625860 623167320 /nfs/dbraw/zinc/16/73/20/623167320.db2.gz HTCQUKLMKIHVFK-UHFFFAOYSA-N 1 0 308.769 3.430 20 5 DGBDRO Cc1ccc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776270223 623404454 /nfs/dbraw/zinc/40/44/54/623404454.db2.gz AYTRBTGZPLNXFF-KRWDZBQOSA-N 1 0 300.358 3.069 20 5 DGBDRO C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271632 623405361 /nfs/dbraw/zinc/40/53/61/623405361.db2.gz MNSYQZAOVPQIBT-MRXNPFEDSA-N 1 0 320.776 3.414 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000776276882 623405721 /nfs/dbraw/zinc/40/57/21/623405721.db2.gz KYVYKQIDGKMLMI-SJORKVTESA-N 1 0 304.390 3.283 20 5 DGBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000776276584 623406086 /nfs/dbraw/zinc/40/60/86/623406086.db2.gz NZYIOFZOVYIEHZ-ZWKOTPCHSA-N 1 0 312.369 3.248 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC23CCCCC3)cc1 ZINC000776594123 623444929 /nfs/dbraw/zinc/44/49/29/623444929.db2.gz VWILAPNGSZXLPA-MRXNPFEDSA-N 1 0 304.390 3.427 20 5 DGBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000776596966 623445119 /nfs/dbraw/zinc/44/51/19/623445119.db2.gz BDIHDQGKLTVMNK-CJNGLKHVSA-N 1 0 304.390 3.140 20 5 DGBDRO C[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000776596968 623445473 /nfs/dbraw/zinc/44/54/73/623445473.db2.gz BDIHDQGKLTVMNK-XJKSGUPXSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cscc2Cl)cc1 ZINC000777445400 623526675 /nfs/dbraw/zinc/52/66/75/623526675.db2.gz JYODXPGSPATXTA-CYBMUJFWSA-N 1 0 312.778 3.133 20 5 DGBDRO CC(C)[C@@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963838 623592305 /nfs/dbraw/zinc/59/23/05/623592305.db2.gz MUBLZXMGHIMJHM-OAHLLOKOSA-N 1 0 314.389 3.394 20 5 DGBDRO CC(C)C1(C)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778220002 623628054 /nfs/dbraw/zinc/62/80/54/623628054.db2.gz UGUXZAHNNHMKCI-INIZCTEOSA-N 1 0 306.406 3.386 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000126053651 623659256 /nfs/dbraw/zinc/65/92/56/623659256.db2.gz DXISBEVXZGRDAK-NSHDSACASA-N 1 0 301.302 3.354 20 5 DGBDRO CCCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876887177 623736062 /nfs/dbraw/zinc/73/60/62/623736062.db2.gz NQUCARPEESGNCY-UHFFFAOYSA-N 1 0 306.410 3.129 20 5 DGBDRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000876957316 623754939 /nfs/dbraw/zinc/75/49/39/623754939.db2.gz XHXGMWPVWULPAK-INIZCTEOSA-N 1 0 316.405 3.038 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000876964561 623756673 /nfs/dbraw/zinc/75/66/73/623756673.db2.gz JMICMEWICXVIGC-VOMCLLRMSA-N 1 0 306.391 3.216 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[C@@H]4CCC[C@H]4C3)C2)c1 ZINC000877042732 623774696 /nfs/dbraw/zinc/77/46/96/623774696.db2.gz VRHVXOOQKRVAEN-XDYZINJXSA-N 1 0 304.394 3.053 20 5 DGBDRO Cc1cccc([C@@H](C)C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877061762 623779436 /nfs/dbraw/zinc/77/94/36/623779436.db2.gz RZZFNFCREJAJJF-JEYLPNPQSA-N 1 0 314.389 3.197 20 5 DGBDRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877127639 623797669 /nfs/dbraw/zinc/79/76/69/623797669.db2.gz LXZHYACPLKAMRE-KBXCAEBGSA-N 1 0 314.385 3.239 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000779864391 623824129 /nfs/dbraw/zinc/82/41/29/623824129.db2.gz AXNPETFBMGGDMT-ZBFHGGJFSA-N 1 0 314.389 3.010 20 5 DGBDRO C[C@@H](CCCC(F)(F)F)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877476132 623900875 /nfs/dbraw/zinc/90/08/75/623900875.db2.gz VYJSWKZEDKABFM-WHXUTIOJSA-N 1 0 320.315 3.206 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC(C2CCOCC2)C1 ZINC000877500298 623914201 /nfs/dbraw/zinc/91/42/01/623914201.db2.gz RSMKYKVYPXFZCL-UHFFFAOYSA-N 1 0 304.390 3.070 20 5 DGBDRO Cc1c(CN(CC[NH+](C)C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000877526683 623925031 /nfs/dbraw/zinc/92/50/31/623925031.db2.gz ISTIVXXVDQFPTG-UHFFFAOYSA-N 1 0 317.389 3.060 20 5 DGBDRO CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1=CCCC1 ZINC000877578224 623950779 /nfs/dbraw/zinc/95/07/79/623950779.db2.gz ZCDSSAWSZIYFEO-UHFFFAOYSA-N 1 0 304.394 3.221 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877742199 624014535 /nfs/dbraw/zinc/01/45/35/624014535.db2.gz XXOBXNYGFLZFED-JQWIXIFHSA-N 1 0 312.822 3.433 20 5 DGBDRO CC(C)[C@@H](C)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877927598 624096618 /nfs/dbraw/zinc/09/66/18/624096618.db2.gz CHMYVDCLGCJUCL-LLVKDONJSA-N 1 0 304.350 3.121 20 5 DGBDRO CC(C)[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878182398 624205852 /nfs/dbraw/zinc/20/58/52/624205852.db2.gz ILEGAEWUNSVMFT-LBPRGKRZSA-N 1 0 316.361 3.123 20 5 DGBDRO C[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCC[C@H]21 ZINC000782278959 624232293 /nfs/dbraw/zinc/23/22/93/624232293.db2.gz ZVMASMKAWKWJTL-UHOFOFEASA-N 1 0 314.389 3.413 20 5 DGBDRO Cn1cc(C[NH2+]C(C2CCCC2)C2CCCC2)c([N+](=O)[O-])n1 ZINC000878363303 624256797 /nfs/dbraw/zinc/25/67/97/624256797.db2.gz XGCIVTUJOZDNRV-UHFFFAOYSA-N 1 0 306.410 3.167 20 5 DGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878475619 624286264 /nfs/dbraw/zinc/28/62/64/624286264.db2.gz QBJUOSVTORXJJO-CYBMUJFWSA-N 1 0 316.361 3.313 20 5 DGBDRO Cc1cc(NCCc2cccc(O)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782948429 624293268 /nfs/dbraw/zinc/29/32/68/624293268.db2.gz SUKUSTVIZFWYTM-UHFFFAOYSA-N 1 0 323.352 3.234 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878565132 624309393 /nfs/dbraw/zinc/30/93/93/624309393.db2.gz FYEKHIXZDXFGKC-HYVNUMGLSA-N 1 0 304.390 3.027 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000783310273 624337432 /nfs/dbraw/zinc/33/74/32/624337432.db2.gz NGPBUIRRVOZADG-HOTGVXAUSA-N 1 0 302.374 3.198 20 5 DGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878691217 624340713 /nfs/dbraw/zinc/34/07/13/624340713.db2.gz YMNZRJUGQKDFFM-NSHDSACASA-N 1 0 316.361 3.408 20 5 DGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878691216 624340858 /nfs/dbraw/zinc/34/08/58/624340858.db2.gz YMNZRJUGQKDFFM-LLVKDONJSA-N 1 0 316.361 3.408 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)cc1Cl ZINC000783668030 624381227 /nfs/dbraw/zinc/38/12/27/624381227.db2.gz XAWZWLOBSJAPFJ-AWEZNQCLSA-N 1 0 324.808 3.497 20 5 DGBDRO C[C@H](OC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000783776791 624395284 /nfs/dbraw/zinc/39/52/84/624395284.db2.gz MOQPKQHMYBLNAR-XUXIUFHCSA-N 1 0 320.389 3.460 20 5 DGBDRO CC(C)[C@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000783775671 624395662 /nfs/dbraw/zinc/39/56/62/624395662.db2.gz HYJQDCZXNGLKIA-XJKSGUPXSA-N 1 0 320.389 3.319 20 5 DGBDRO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CC1(C)C ZINC000879008285 624407828 /nfs/dbraw/zinc/40/78/28/624407828.db2.gz QYPIXNTWDJOSLC-NSHDSACASA-N 1 0 316.361 3.123 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)cs1 ZINC000879241794 624458147 /nfs/dbraw/zinc/45/81/47/624458147.db2.gz NTAXYSRWTFUOFO-HOCLYGCPSA-N 1 0 318.398 3.354 20 5 DGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000805769211 624588172 /nfs/dbraw/zinc/58/81/72/624588172.db2.gz TXCDQPUUDRQTMG-SWLSCSKDSA-N 1 0 323.824 3.307 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879733378 624656078 /nfs/dbraw/zinc/65/60/78/624656078.db2.gz UIBJRPYTVOLLFH-MRXNPFEDSA-N 1 0 320.389 3.055 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)cc1F ZINC000879735030 624657459 /nfs/dbraw/zinc/65/74/59/624657459.db2.gz RJIPQTVHOONYOJ-OAHLLOKOSA-N 1 0 308.353 3.315 20 5 DGBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000785540505 624683099 /nfs/dbraw/zinc/68/30/99/624683099.db2.gz KSYFSXXRHOCKMB-JTNHKYCSSA-N 1 0 312.797 3.230 20 5 DGBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785541726 624684228 /nfs/dbraw/zinc/68/42/28/624684228.db2.gz VXNSKOFDVAMCBF-UEKVPHQBSA-N 1 0 312.797 3.230 20 5 DGBDRO COC(=O)CC[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880037290 624762850 /nfs/dbraw/zinc/76/28/50/624762850.db2.gz HZMOIKQPNJHEMM-ZIAGYGMSSA-N 1 0 320.389 3.321 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](C(F)(F)F)CC1 ZINC000880047698 624766371 /nfs/dbraw/zinc/76/63/71/624766371.db2.gz WVVCGOFLJCYGCZ-GWCFXTLKSA-N 1 0 318.295 3.309 20 5 DGBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(C)CCCC1 ZINC000786220082 624828202 /nfs/dbraw/zinc/82/82/02/624828202.db2.gz GIQVJYRZDBXGMW-UHFFFAOYSA-N 1 0 323.368 3.327 20 5 DGBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000880459216 624960205 /nfs/dbraw/zinc/96/02/05/624960205.db2.gz DCRYCKDTBFBSHM-KRWDZBQOSA-N 1 0 300.358 3.150 20 5 DGBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000805840595 625014835 /nfs/dbraw/zinc/01/48/35/625014835.db2.gz SYQQBZLVOIOQFP-AWEZNQCLSA-N 1 0 314.332 3.138 20 5 DGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788481070 625193601 /nfs/dbraw/zinc/19/36/01/625193601.db2.gz POOQDEHWFOYNLK-AWEZNQCLSA-N 1 0 309.385 3.040 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000788509729 625202686 /nfs/dbraw/zinc/20/26/86/625202686.db2.gz ZFGPDACTLWZPSG-NSHDSACASA-N 1 0 303.337 3.475 20 5 DGBDRO CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)N(C)C ZINC000788521656 625205813 /nfs/dbraw/zinc/20/58/13/625205813.db2.gz WBJHHLVCHHWJPO-SJKOYZFVSA-N 1 0 322.453 3.194 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613418 625229892 /nfs/dbraw/zinc/22/98/92/625229892.db2.gz WQMISGCCHDYWRQ-ZFWWWQNUSA-N 1 0 320.437 3.092 20 5 DGBDRO C[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788670908 625238286 /nfs/dbraw/zinc/23/82/86/625238286.db2.gz LERHGDCGKQTZIM-AHIWAGSCSA-N 1 0 321.421 3.159 20 5 DGBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1(C)C ZINC000788751719 625257920 /nfs/dbraw/zinc/25/79/20/625257920.db2.gz SXZFCJVOVLIJPZ-XFBWCDHKSA-N 1 0 321.421 3.420 20 5 DGBDRO C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788775354 625264695 /nfs/dbraw/zinc/26/46/95/625264695.db2.gz IDSMGXVXMAWQFI-PXAZEXFGSA-N 1 0 321.421 3.159 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000790995894 625733597 /nfs/dbraw/zinc/73/35/97/625733597.db2.gz DWUKYWIORFFAJD-RHSMWYFYSA-N 1 0 306.406 3.444 20 5 DGBDRO CC1([NH+]2CCC2)CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000882963248 625878092 /nfs/dbraw/zinc/87/80/92/625878092.db2.gz SNILYMLDRABBKB-UHFFFAOYSA-N 1 0 309.797 3.313 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)COC2 ZINC000796116087 626023440 /nfs/dbraw/zinc/02/34/40/626023440.db2.gz SHAZZCNELLCYGI-UHFFFAOYSA-N 1 0 312.369 3.300 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000796119727 626023930 /nfs/dbraw/zinc/02/39/30/626023930.db2.gz CENZEWLJGUCGEN-MRXNPFEDSA-N 1 0 314.341 3.011 20 5 DGBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000800897207 626383743 /nfs/dbraw/zinc/38/37/43/626383743.db2.gz WABNQPDWIHHCOP-KRWDZBQOSA-N 1 0 318.348 3.174 20 5 DGBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801519471 626407209 /nfs/dbraw/zinc/40/72/09/626407209.db2.gz OWIMEYUYAJTJGY-GOEBONIOSA-N 1 0 310.369 3.369 20 5 DGBDRO CCOC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCCC1 ZINC000801551913 626409629 /nfs/dbraw/zinc/40/96/29/626409629.db2.gz XVJVITSPHFVPEC-UHFFFAOYSA-N 1 0 324.352 3.090 20 5 DGBDRO CC(C)(C)SCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000801911370 626425068 /nfs/dbraw/zinc/42/50/68/626425068.db2.gz YQIYPSFDAKAOAV-UHFFFAOYSA-N 1 0 323.462 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C=CCC3)CC2)cc1 ZINC000883246235 626622663 /nfs/dbraw/zinc/62/26/63/626622663.db2.gz DMTWGOGDTNAYKF-CQSZACIVSA-N 1 0 301.390 3.119 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000883320305 626646621 /nfs/dbraw/zinc/64/66/21/626646621.db2.gz HVCXIFBVIODDCU-XJNFMUPTSA-N 1 0 318.417 3.321 20 5 DGBDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000883356481 626659167 /nfs/dbraw/zinc/65/91/67/626659167.db2.gz PEZZDCFYDGONAB-YPMHNXCESA-N 1 0 309.435 3.062 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000804349174 626672177 /nfs/dbraw/zinc/67/21/77/626672177.db2.gz JTZIGEIIYXECBY-QWHCGFSZSA-N 1 0 319.405 3.330 20 5 DGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804352917 626672987 /nfs/dbraw/zinc/67/29/87/626672987.db2.gz ZBQQRYCVAPFGOP-KBPBESRZSA-N 1 0 320.437 3.347 20 5 DGBDRO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000804445870 626680244 /nfs/dbraw/zinc/68/02/44/626680244.db2.gz RUYWZYCCHLKTQO-CYBMUJFWSA-N 1 0 314.389 3.109 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804454933 626681704 /nfs/dbraw/zinc/68/17/04/626681704.db2.gz USXXZDUAYTZXKU-LBPRGKRZSA-N 1 0 322.365 3.179 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000804502809 626688077 /nfs/dbraw/zinc/68/80/77/626688077.db2.gz ANXBBDDLNPPCDK-LBPRGKRZSA-N 1 0 307.394 3.186 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](CC2CC2)CC1 ZINC000807929581 626778567 /nfs/dbraw/zinc/77/85/67/626778567.db2.gz KYVZLMZVZMTDMD-UHFFFAOYSA-N 1 0 317.389 3.084 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000808049989 626789205 /nfs/dbraw/zinc/78/92/05/626789205.db2.gz NJOYMIVVVOCGKH-OAHLLOKOSA-N 1 0 317.389 3.226 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000808177276 626803324 /nfs/dbraw/zinc/80/33/24/626803324.db2.gz RFHSFMDOCWOCPC-NSHDSACASA-N 1 0 310.354 3.035 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000800199333 626823819 /nfs/dbraw/zinc/82/38/19/626823819.db2.gz JZTRTEFKVYOIFL-YPKPFQOOSA-N 1 0 320.389 3.273 20 5 DGBDRO Cc1ccc([C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000884171192 626844223 /nfs/dbraw/zinc/84/42/23/626844223.db2.gz PFBXHKFIOPMTSI-SWLSCSKDSA-N 1 0 321.421 3.090 20 5 DGBDRO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000840181961 626922417 /nfs/dbraw/zinc/92/24/17/626922417.db2.gz MUYFTWWODQDDMO-IRXDYDNUSA-N 1 0 314.389 3.407 20 5 DGBDRO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000840182100 626923527 /nfs/dbraw/zinc/92/35/27/626923527.db2.gz NQXRFJLJDZTHFG-CVEARBPZSA-N 1 0 314.389 3.407 20 5 DGBDRO Cc1[nH]c(C2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884709167 626932300 /nfs/dbraw/zinc/93/23/00/626932300.db2.gz XUTRSTULUFJVEJ-UHFFFAOYSA-N 1 0 300.362 3.319 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000884717787 626934887 /nfs/dbraw/zinc/93/48/87/626934887.db2.gz LSBSSWNAXQCDIN-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000884717163 626934890 /nfs/dbraw/zinc/93/48/90/626934890.db2.gz TYBGWPRFQITTIJ-UHFFFAOYSA-N 1 0 309.435 3.419 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000884718728 626935452 /nfs/dbraw/zinc/93/54/52/626935452.db2.gz NTOUYUQKCZFAPI-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809703690 626939425 /nfs/dbraw/zinc/93/94/25/626939425.db2.gz OIXTUOYWHPEPKM-GXTWGEPZSA-N 1 0 323.824 3.307 20 5 DGBDRO [NH3+]CCN(C[C@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734950 626943512 /nfs/dbraw/zinc/94/35/12/626943512.db2.gz OLXDYXWKPBYEFW-CRAIPNDOSA-N 1 0 311.385 3.164 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000809746931 626945981 /nfs/dbraw/zinc/94/59/81/626945981.db2.gz DHIPTKHTVOJTCW-WGLAMXGCSA-N 1 0 312.369 3.321 20 5 DGBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766460 626948634 /nfs/dbraw/zinc/94/86/34/626948634.db2.gz XYFIINSNHRDQRN-BXUZGUMPSA-N 1 0 311.813 3.020 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+](CCO)CC1CC1 ZINC000809936849 626960381 /nfs/dbraw/zinc/96/03/81/626960381.db2.gz QZIUJDFTLMSJPH-UHFFFAOYSA-N 1 0 319.188 3.106 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810536610 627013025 /nfs/dbraw/zinc/01/30/25/627013025.db2.gz QVFKIAGKCLBQPO-MRXNPFEDSA-N 1 0 324.352 3.021 20 5 DGBDRO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000886104411 627105584 /nfs/dbraw/zinc/10/55/84/627105584.db2.gz BJAAVYLNONYVHA-HNNXBMFYSA-N 1 0 301.346 3.239 20 5 DGBDRO COc1ccc([C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C2CC2)cc1 ZINC000886114585 627107344 /nfs/dbraw/zinc/10/73/44/627107344.db2.gz SMLUKIXPYWEAJT-INIZCTEOSA-N 1 0 313.357 3.239 20 5 DGBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886249500 627126606 /nfs/dbraw/zinc/12/66/06/627126606.db2.gz LZNIMIPKOCKAES-QWHCGFSZSA-N 1 0 307.394 3.062 20 5 DGBDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C12CCC2 ZINC000886280560 627130557 /nfs/dbraw/zinc/13/05/57/627130557.db2.gz GYGDZSXEQPZGLZ-ZIAGYGMSSA-N 1 0 319.405 3.206 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c(F)c1 ZINC000886318182 627136283 /nfs/dbraw/zinc/13/62/83/627136283.db2.gz LUKCDMLCUSJPEB-AWEZNQCLSA-N 1 0 308.353 3.173 20 5 DGBDRO Cc1noc(C[NH2+][C@H](Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000886422549 627147439 /nfs/dbraw/zinc/14/74/39/627147439.db2.gz RNPNKMOKLDRISJ-CQSZACIVSA-N 1 0 303.362 3.248 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@H](c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC000886679478 627188626 /nfs/dbraw/zinc/18/86/26/627188626.db2.gz XWILTOINSCSIMG-HNNXBMFYSA-N 1 0 312.373 3.073 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886702920 627195126 /nfs/dbraw/zinc/19/51/26/627195126.db2.gz HKJIWWKCEYMEFI-SWLSCSKDSA-N 1 0 322.380 3.214 20 5 DGBDRO C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000886717702 627197320 /nfs/dbraw/zinc/19/73/20/627197320.db2.gz GQCZRJASMMUPSF-YPMHNXCESA-N 1 0 307.394 3.033 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000886730935 627198352 /nfs/dbraw/zinc/19/83/52/627198352.db2.gz QMXZUBMMICLQMT-TZMCWYRMSA-N 1 0 319.405 3.177 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886822200 627208521 /nfs/dbraw/zinc/20/85/21/627208521.db2.gz NPMNSCSUCOCLDV-GRDNDAEWSA-N 1 0 304.390 3.465 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCCCCCC2)c1 ZINC000811453755 627275873 /nfs/dbraw/zinc/27/58/73/627275873.db2.gz QPIORVZFRKRFMC-UHFFFAOYSA-N 1 0 306.362 3.148 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCOC1 ZINC000811474331 627278284 /nfs/dbraw/zinc/27/82/84/627278284.db2.gz YHYOWRWUHKDYDC-MRVPVSSYSA-N 1 0 305.161 3.028 20 5 DGBDRO CC(C)[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811479241 627279256 /nfs/dbraw/zinc/27/92/56/627279256.db2.gz BYEXVCUCRMKHEY-CYBMUJFWSA-N 1 0 321.204 3.398 20 5 DGBDRO CC1(C2CC2)CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000811784981 627321461 /nfs/dbraw/zinc/32/14/61/627321461.db2.gz QLFLWNSKBDCQAX-UHFFFAOYSA-N 1 0 314.389 3.414 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000811848905 627329909 /nfs/dbraw/zinc/32/99/09/627329909.db2.gz ZAQOAFJTLXKYKN-LLVKDONJSA-N 1 0 313.373 3.275 20 5 DGBDRO Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000813636412 627504904 /nfs/dbraw/zinc/50/49/04/627504904.db2.gz WQUTYQCINNBUQF-OAHLLOKOSA-N 1 0 309.797 3.089 20 5 DGBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000814909361 627606290 /nfs/dbraw/zinc/60/62/90/627606290.db2.gz KAYJBNUJAKHVAV-HNNXBMFYSA-N 1 0 309.797 3.170 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561213 627684913 /nfs/dbraw/zinc/68/49/13/627684913.db2.gz BAVJSRMSQWMZFC-SECBINFHSA-N 1 0 306.753 3.076 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597350 627688852 /nfs/dbraw/zinc/68/88/52/627688852.db2.gz UOCJCWFSAWPEOQ-ICSUNMLXSA-N 1 0 323.396 3.414 20 5 DGBDRO CC1(C)C[C@H](NCc2cc(N)cc[nH+]2)c2cc([N+](=O)[O-])ccc21 ZINC000925765768 627791380 /nfs/dbraw/zinc/79/13/80/627791380.db2.gz FEUHITWSHUNMQB-INIZCTEOSA-N 1 0 312.373 3.084 20 5 DGBDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816641088 627818669 /nfs/dbraw/zinc/81/86/69/627818669.db2.gz IIXOVQGFOSNQQO-HNNXBMFYSA-N 1 0 312.797 3.279 20 5 DGBDRO C[C@H]1COC[C@H](C)C1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926112644 627845465 /nfs/dbraw/zinc/84/54/65/627845465.db2.gz AQFRYPFWPYRUFK-QWRGUYRKSA-N 1 0 312.797 3.051 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)C2(Br)CC2)cccc1[N+](=O)[O-] ZINC000926271871 627873007 /nfs/dbraw/zinc/87/30/07/627873007.db2.gz VOWQGTXWSOPPOF-SNVBAGLBSA-N 1 0 313.195 3.309 20 5 DGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)(C)CO ZINC000926305067 627876391 /nfs/dbraw/zinc/87/63/91/627876391.db2.gz YFZGFCXGBAUPEO-VIFPVBQESA-N 1 0 320.311 3.110 20 5 DGBDRO C[C@@H]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C[NH3+] ZINC000817864742 627951821 /nfs/dbraw/zinc/95/18/21/627951821.db2.gz CXMYINUPASWIQU-WZRBSPASSA-N 1 0 311.813 3.053 20 5 DGBDRO COc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000926893283 627973087 /nfs/dbraw/zinc/97/30/87/627973087.db2.gz RNGXIMJSKLZRCJ-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926916575 627979658 /nfs/dbraw/zinc/97/96/58/627979658.db2.gz RBHGPRYJYRCNNV-JCURWCKSSA-N 1 0 322.380 3.214 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C=C[C@H]3C[C@@H]1CO3)CCC2 ZINC000926937148 627985115 /nfs/dbraw/zinc/98/51/15/627985115.db2.gz UDXZVXROXGSGKB-KPEUIFRASA-N 1 0 314.385 3.153 20 5 DGBDRO C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000926939616 627985669 /nfs/dbraw/zinc/98/56/69/627985669.db2.gz WSXLJPJCXQWWQS-LLVKDONJSA-N 1 0 317.414 3.433 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(C)CCCCO1 ZINC000927014651 627997497 /nfs/dbraw/zinc/99/74/97/627997497.db2.gz PJQACJJXQNQYME-WBMJQRKESA-N 1 0 308.378 3.213 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCCO1 ZINC000927016173 627998233 /nfs/dbraw/zinc/99/82/33/627998233.db2.gz UUYZWIPVQSQZIB-MLGOLLRUSA-N 1 0 310.369 3.214 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927100842 628013789 /nfs/dbraw/zinc/01/37/89/628013789.db2.gz LNRFKVLJKSRDRI-DGCLKSJQSA-N 1 0 321.421 3.421 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000819031342 628080965 /nfs/dbraw/zinc/08/09/65/628080965.db2.gz MFLQFDNJAQKFFA-DLBZAZTESA-N 1 0 316.332 3.044 20 5 DGBDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819052805 628084114 /nfs/dbraw/zinc/08/41/14/628084114.db2.gz JWIZYQJWWCGKMJ-UUWFMWQGSA-N 1 0 312.369 3.151 20 5 DGBDRO Cc1ccc([C@@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819087930 628089771 /nfs/dbraw/zinc/08/97/71/628089771.db2.gz DFDOSJUBHWIKOW-KBXCAEBGSA-N 1 0 314.385 3.330 20 5 DGBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000819103061 628092516 /nfs/dbraw/zinc/09/25/16/628092516.db2.gz DOJDDLTWVKRJBZ-LRDDRELGSA-N 1 0 320.414 3.158 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000819108309 628093136 /nfs/dbraw/zinc/09/31/36/628093136.db2.gz CBOPSLBMZWKGEO-DNNBLBMLSA-N 1 0 304.390 3.187 20 5 DGBDRO CCS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819134456 628097825 /nfs/dbraw/zinc/09/78/25/628097825.db2.gz YMQVHOMEDAXWJZ-FVQBIDKESA-N 1 0 324.446 3.282 20 5 DGBDRO CCS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819134457 628097964 /nfs/dbraw/zinc/09/79/64/628097964.db2.gz YMQVHOMEDAXWJZ-IMJJTQAJSA-N 1 0 324.446 3.282 20 5 DGBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000819191972 628110121 /nfs/dbraw/zinc/11/01/21/628110121.db2.gz VOQZGIVGOUWODP-SFHVURJKSA-N 1 0 314.385 3.077 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC2=CCCCCC2)c1 ZINC000819236941 628118717 /nfs/dbraw/zinc/11/87/17/628118717.db2.gz YTMPHMPAEZTEQJ-QGZVFWFLSA-N 1 0 304.390 3.498 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000819310032 628130632 /nfs/dbraw/zinc/13/06/32/628130632.db2.gz SMUBTTLVNDLCFP-INIZCTEOSA-N 1 0 304.390 3.187 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC000819366234 628142008 /nfs/dbraw/zinc/14/20/08/628142008.db2.gz LQDVUFASYVUVHX-USXIJHARSA-N 1 0 304.390 3.044 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000819384024 628144850 /nfs/dbraw/zinc/14/48/50/628144850.db2.gz USNSXIXKRMXZIA-ZMSDIMECSA-N 1 0 304.390 3.187 20 5 DGBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C ZINC000821522912 628380165 /nfs/dbraw/zinc/38/01/65/628380165.db2.gz WSEAZXGBQJMYOC-UHFFFAOYSA-N 1 0 322.409 3.132 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000822517385 628460771 /nfs/dbraw/zinc/46/07/71/628460771.db2.gz WWMANVQJLHPWMD-GOSISDBHSA-N 1 0 314.385 3.243 20 5 DGBDRO Cc1ccc(-c2noc([C@H]3C[C@@H](C)CC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822723553 628484838 /nfs/dbraw/zinc/48/48/38/628484838.db2.gz XYYGORJZRJFZBF-JOYOIKCWSA-N 1 0 302.334 3.014 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823585753 628576802 /nfs/dbraw/zinc/57/68/02/628576802.db2.gz QVKBUHFGXLQZBK-KDOFPFPSSA-N 1 0 314.385 3.495 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(C3CC3)nn2C)cc1[N+](=O)[O-] ZINC000823961395 628614119 /nfs/dbraw/zinc/61/41/19/628614119.db2.gz RMNWHHYCZCTJIL-LBPRGKRZSA-N 1 0 314.389 3.365 20 5 DGBDRO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000824445608 628661374 /nfs/dbraw/zinc/66/13/74/628661374.db2.gz HIKBDMOPLDKJOG-LBPRGKRZSA-N 1 0 323.824 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)cc1 ZINC000824820718 628697412 /nfs/dbraw/zinc/69/74/12/628697412.db2.gz LCKCDYOSKWGMRW-NVXWUHKLSA-N 1 0 302.374 3.467 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H](C)O ZINC000824920877 628707105 /nfs/dbraw/zinc/70/71/05/628707105.db2.gz AMGIFNYVDNETRJ-RDDDGLTNSA-N 1 0 307.177 3.151 20 5 DGBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC000825040371 628719500 /nfs/dbraw/zinc/71/95/00/628719500.db2.gz IZHTVLUQGSRQCD-GFCCVEGCSA-N 1 0 314.813 3.477 20 5 DGBDRO CC[C@@H](COC)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000825298018 628747187 /nfs/dbraw/zinc/74/71/87/628747187.db2.gz SMAHBRSXLMBHPY-JTQLQIEISA-N 1 0 307.177 3.416 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000830988285 629327262 /nfs/dbraw/zinc/32/72/62/629327262.db2.gz JNBNGWALXYASIY-SJORKVTESA-N 1 0 304.390 3.283 20 5 DGBDRO CC(C)C(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538754 629388408 /nfs/dbraw/zinc/38/84/08/629388408.db2.gz HTLGYFPWIXGMRP-HNNXBMFYSA-N 1 0 304.390 3.389 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C(C)C ZINC000834387274 629703098 /nfs/dbraw/zinc/70/30/98/629703098.db2.gz DYUOWBUSYMGLEZ-YESZJQIVSA-N 1 0 306.406 3.241 20 5 DGBDRO COc1cc(C[NH2+]CCC2=CCCCC2)c([N+](=O)[O-])cc1O ZINC000101588345 629743162 /nfs/dbraw/zinc/74/31/62/629743162.db2.gz RDDYKOLJOKLTNZ-UHFFFAOYSA-N 1 0 306.362 3.289 20 5 DGBDRO CCCCCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000834841099 629788394 /nfs/dbraw/zinc/78/83/94/629788394.db2.gz PGLRNLMMLRSWIA-UHFFFAOYSA-N 1 0 308.338 3.250 20 5 DGBDRO Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000834901982 629803738 /nfs/dbraw/zinc/80/37/38/629803738.db2.gz CJWAWUOIPJPCOH-GFCCVEGCSA-N 1 0 300.362 3.040 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000837454138 630260320 /nfs/dbraw/zinc/26/03/20/630260320.db2.gz DQOUHOZYWJEPOL-CYBMUJFWSA-N 1 0 324.352 3.154 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3F)CC2)cc1 ZINC000840875710 630370193 /nfs/dbraw/zinc/37/01/93/630370193.db2.gz JCSTWVPRBXELKJ-IAGOWNOFSA-N 1 0 321.396 3.434 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000840965959 630387536 /nfs/dbraw/zinc/38/75/36/630387536.db2.gz CILCGGNANPJQIG-JSGCOSHPSA-N 1 0 300.786 3.133 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@@H]2C2CCC2)cc1F ZINC000842171438 630501932 /nfs/dbraw/zinc/50/19/32/630501932.db2.gz RCYRQVKGOWPNRS-OAHLLOKOSA-N 1 0 310.394 3.451 20 5 DGBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842755364 630571974 /nfs/dbraw/zinc/57/19/74/630571974.db2.gz XWLSUGRNNDHSPD-PWSUYJOCSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1cc(C(=O)OC[C@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000842834070 630582241 /nfs/dbraw/zinc/58/22/41/630582241.db2.gz QJHCQXNMPRQLAF-AWEZNQCLSA-N 1 0 320.389 3.180 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000842930673 630594808 /nfs/dbraw/zinc/59/48/08/630594808.db2.gz WCEDNQXPFTWZAP-IIAWOOMASA-N 1 0 315.417 3.342 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000843045349 630607565 /nfs/dbraw/zinc/60/75/65/630607565.db2.gz NVLFTLVSMHOXRP-DZGCQCFKSA-N 1 0 323.824 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000843048110 630608523 /nfs/dbraw/zinc/60/85/23/630608523.db2.gz NHAOHPFLBBQJKS-HOCLYGCPSA-N 1 0 323.824 3.355 20 5 DGBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844379800 630722892 /nfs/dbraw/zinc/72/28/92/630722892.db2.gz PSIVMTOLEBRVLU-ZWNOBZJWSA-N 1 0 300.786 3.135 20 5 DGBDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000844437237 630729373 /nfs/dbraw/zinc/72/93/73/630729373.db2.gz JCJRZGXPGSUZLL-CQSZACIVSA-N 1 0 312.316 3.225 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844441222 630730586 /nfs/dbraw/zinc/73/05/86/630730586.db2.gz ZJEDMGPPRFEHQA-CQSZACIVSA-N 1 0 312.316 3.095 20 5 DGBDRO C[C@H](C(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000845734519 631192312 /nfs/dbraw/zinc/19/23/12/631192312.db2.gz GBCZZEQEGWQUSY-SWLSCSKDSA-N 1 0 320.389 3.114 20 5 DGBDRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)c1 ZINC000846966358 631368434 /nfs/dbraw/zinc/36/84/34/631368434.db2.gz AEOQNGGWLBEAFV-CQSZACIVSA-N 1 0 315.348 3.427 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000847027912 631384631 /nfs/dbraw/zinc/38/46/31/631384631.db2.gz QBKZUMSQPJZBCN-UHFFFAOYSA-N 1 0 311.357 3.183 20 5 DGBDRO CSCCC[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848486063 631668957 /nfs/dbraw/zinc/66/89/57/631668957.db2.gz BPGWXAVHBYPPRO-UHFFFAOYSA-N 1 0 320.418 3.101 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848524242 631676770 /nfs/dbraw/zinc/67/67/70/631676770.db2.gz RCFVBJOKEGOQFD-SJLPKXTDSA-N 1 0 312.369 3.214 20 5 DGBDRO C[C@](O)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000848530108 631679800 /nfs/dbraw/zinc/67/98/00/631679800.db2.gz BVYATALIENKNTA-WMZOPIPTSA-N 1 0 312.369 3.079 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000848760317 631743040 /nfs/dbraw/zinc/74/30/40/631743040.db2.gz CDQUGOQAXAVMQK-UHFFFAOYSA-N 1 0 321.421 3.052 20 5 DGBDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000850342618 632119375 /nfs/dbraw/zinc/11/93/75/632119375.db2.gz IETNIHHLYCLCBR-ZDUSSCGKSA-N 1 0 311.813 3.211 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCC1SCCS1 ZINC000850407549 632142393 /nfs/dbraw/zinc/14/23/93/632142393.db2.gz HEFLJBZCNLUYIF-HWKANZROSA-N 1 0 310.444 3.394 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC2(CCC2)C1 ZINC000850525004 632180040 /nfs/dbraw/zinc/18/00/40/632180040.db2.gz KJGLHXPNSRPHHS-DZGCQCFKSA-N 1 0 304.390 3.217 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850525010 632180044 /nfs/dbraw/zinc/18/00/44/632180044.db2.gz KJGLHXPNSRPHHS-ZFWWWQNUSA-N 1 0 304.390 3.217 20 5 DGBDRO COCc1csc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000850531167 632182489 /nfs/dbraw/zinc/18/24/89/632182489.db2.gz CDIKRELFKUELRU-SNVBAGLBSA-N 1 0 321.402 3.236 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2COC(C)(C)O2)cc1[N+](=O)[O-] ZINC000851906078 632519185 /nfs/dbraw/zinc/51/91/85/632519185.db2.gz LGDDGEOWKMVVSG-GXTWGEPZSA-N 1 0 308.378 3.095 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3ccco3)CC2)c1 ZINC000852323944 632587654 /nfs/dbraw/zinc/58/76/54/632587654.db2.gz OAEQQBRUVMWPGU-MRXNPFEDSA-N 1 0 316.357 3.101 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000453199522 660485982 /nfs/dbraw/zinc/48/59/82/660485982.db2.gz SHJRGKGZVXRTIM-GJZGRUSLSA-N 1 0 324.808 3.338 20 5 DGBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792879390 660991116 /nfs/dbraw/zinc/99/11/16/660991116.db2.gz HIPADURREWJINJ-IJLUTSLNSA-N 1 0 307.350 3.369 20 5 DGBDRO Cc1cc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n(C)n1 ZINC000793556302 661045510 /nfs/dbraw/zinc/04/55/10/661045510.db2.gz WTBUSSPJFIKACZ-NSHDSACASA-N 1 0 322.796 3.183 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000794613997 661093982 /nfs/dbraw/zinc/09/39/82/661093982.db2.gz QHRDJRAUISMSSR-MSOLQXFVSA-N 1 0 314.385 3.443 20 5 DGBDRO Cc1cccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000794640479 661095658 /nfs/dbraw/zinc/09/56/58/661095658.db2.gz GTQHGVNAMXCLER-SFHVURJKSA-N 1 0 314.385 3.377 20 5 DGBDRO CCC(=O)c1ccc(N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000795081843 661125316 /nfs/dbraw/zinc/12/53/16/661125316.db2.gz UEAIAHFBLNPVTL-AWEZNQCLSA-N 1 0 319.405 3.154 20 5 DGBDRO CN(C)c1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000795219557 661134319 /nfs/dbraw/zinc/13/43/19/661134319.db2.gz LOCYRZPGNQYDRG-UHFFFAOYSA-N 1 0 314.389 3.081 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000050015767 655631147 /nfs/dbraw/zinc/63/11/47/655631147.db2.gz LJVFHCCCRRYMBM-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933371785 655708429 /nfs/dbraw/zinc/70/84/29/655708429.db2.gz VRZIQHOUFAKUDL-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCSC[C@H]2C2CC2)cc1F ZINC000933918354 655738358 /nfs/dbraw/zinc/73/83/58/655738358.db2.gz SLNGIEMUWDUQKQ-HNNXBMFYSA-N 1 0 310.394 3.451 20 5 DGBDRO CCC[NH+]1CCC(NCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000050443845 655785254 /nfs/dbraw/zinc/78/52/54/655785254.db2.gz UBIKSGVIQLZVAC-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO C[C@H](C[NH+]1CCCCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000037153732 661216960 /nfs/dbraw/zinc/21/69/60/661216960.db2.gz UUCRJEBGVOHSJY-GFCCVEGCSA-N 1 0 311.813 3.212 20 5 DGBDRO C[NH+](C)CCCCCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000123331296 656179007 /nfs/dbraw/zinc/17/90/07/656179007.db2.gz JOFVWNBMVPXEOF-UHFFFAOYSA-N 1 0 322.409 3.228 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCSC(F)(F)F ZINC000171050331 656425509 /nfs/dbraw/zinc/42/55/09/656425509.db2.gz ZQCABECOBUEITI-HWKANZROSA-N 1 0 306.309 3.451 20 5 DGBDRO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1([NH+](C)C)CCC1 ZINC000097927887 657682463 /nfs/dbraw/zinc/68/24/63/657682463.db2.gz KWSMPMOJRXQIHY-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO Cc1noc(C)c1C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055902146 658942419 /nfs/dbraw/zinc/94/24/19/658942419.db2.gz QZHWGWBZPGQARJ-UHFFFAOYSA-N 1 0 319.361 3.101 20 5 DGBDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000227372395 659153722 /nfs/dbraw/zinc/15/37/22/659153722.db2.gz GRRLEYVSBOMKAE-GFCCVEGCSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1csc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000060390861 659171496 /nfs/dbraw/zinc/17/14/96/659171496.db2.gz ASWGSUCHCHLAAD-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000172178962 659322874 /nfs/dbraw/zinc/32/28/74/659322874.db2.gz VHNGVEAMENMWKR-HNNXBMFYSA-N 1 0 323.824 3.308 20 5 DGBDRO CCCCC[C@H](C)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427285 659962559 /nfs/dbraw/zinc/96/25/59/659962559.db2.gz QYDWTIMOIBTFKP-UONOGXRCSA-N 1 0 321.421 3.330 20 5 DGBDRO C[C@H]([NH2+]CCSc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000930208992 661378363 /nfs/dbraw/zinc/37/83/63/661378363.db2.gz ZHHXDORLWLZOPP-LBPRGKRZSA-N 1 0 303.387 3.433 20 5 DGBDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930226708 661379963 /nfs/dbraw/zinc/37/99/63/661379963.db2.gz WEJOIOYBOFYFOY-CYBMUJFWSA-N 1 0 300.358 3.290 20 5 DGBDRO C[C@@H]1C[C@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000930354566 661391702 /nfs/dbraw/zinc/39/17/02/661391702.db2.gz QBMQJVRATZDWNN-FOLVSLTJSA-N 1 0 306.406 3.273 20 5 DGBDRO CC[C@](O)(C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000930554832 661410324 /nfs/dbraw/zinc/41/03/24/661410324.db2.gz PGSSOVHMMZDFSM-ZDUSSCGKSA-N 1 0 320.311 3.123 20 5 DGBDRO CC(C)(C)[C@H]1CSCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931597885 661491613 /nfs/dbraw/zinc/49/16/13/661491613.db2.gz XUVICOVCGCLBRJ-HUUCEWRRSA-N 1 0 324.446 3.092 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932134718 661540819 /nfs/dbraw/zinc/54/08/19/661540819.db2.gz HTVQMUGSAMIKAO-KBPBESRZSA-N 1 0 314.389 3.269 20 5 DGBDRO C[C@H](COCC1CCCCC1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000932421266 661568735 /nfs/dbraw/zinc/56/87/35/661568735.db2.gz ALTOLDSQMUWKAT-CYBMUJFWSA-N 1 0 307.394 3.065 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1C ZINC000932568867 661581166 /nfs/dbraw/zinc/58/11/66/661581166.db2.gz JYHQHLIRVLAGGA-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO Cc1ccc(C[NH+]2CCC(O)(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000932813175 661598785 /nfs/dbraw/zinc/59/87/85/661598785.db2.gz FLESALWKCSYFHR-UHFFFAOYSA-N 1 0 304.390 3.030 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](C3CCOCC3)C2)cc1 ZINC000933078651 661616673 /nfs/dbraw/zinc/61/66/73/661616673.db2.gz XUINOBUQQRCCLA-KRWDZBQOSA-N 1 0 318.417 3.276 20 5 DGBDRO COc1ccc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1C ZINC000933484103 661636115 /nfs/dbraw/zinc/63/61/15/661636115.db2.gz YXYGFVSKJDMBOI-GFCCVEGCSA-N 1 0 316.357 3.468 20 5 DGBDRO CCCCC1([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000934201260 661687086 /nfs/dbraw/zinc/68/70/86/661687086.db2.gz UAJLUWGSVOJGBJ-UHFFFAOYSA-N 1 0 316.361 3.457 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H](C)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000934230134 661690194 /nfs/dbraw/zinc/69/01/94/661690194.db2.gz HSHSDJVMAKVPDT-ZDUSSCGKSA-N 1 0 315.373 3.109 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934329469 661697502 /nfs/dbraw/zinc/69/75/02/661697502.db2.gz GWTDSONHKWJGJD-LBPRGKRZSA-N 1 0 303.387 3.116 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934687807 661725628 /nfs/dbraw/zinc/72/56/28/661725628.db2.gz QTPPUJFPDXSVKL-QGZVFWFLSA-N 1 0 313.357 3.239 20 5 DGBDRO CCOc1cc(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000934767170 661733153 /nfs/dbraw/zinc/73/31/53/661733153.db2.gz XZBRYGJXTIKADF-CJNGLKHVSA-N 1 0 322.430 3.178 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934834761 661739070 /nfs/dbraw/zinc/73/90/70/661739070.db2.gz RXVDLPIPQFGGJF-ZFWWWQNUSA-N 1 0 322.380 3.373 20 5 DGBDRO C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000192685557 662108384 /nfs/dbraw/zinc/10/83/84/662108384.db2.gz RRNRIUUTFXGKKJ-VXGBXAGGSA-N 1 0 323.393 3.159 20 5 DGBDRO C[C@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000084439871 662200626 /nfs/dbraw/zinc/20/06/26/662200626.db2.gz WXNPJDNEGMYXNX-GFCCVEGCSA-N 1 0 311.813 3.070 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000246059120 662246551 /nfs/dbraw/zinc/24/65/51/662246551.db2.gz AWZMGEZSJOTCDN-CJNGLKHVSA-N 1 0 314.389 3.244 20 5 DGBDRO CCCN(C(=O)CC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001577489081 1191905096 /nfs/dbraw/zinc/90/50/96/1191905096.db2.gz VCOZDGXWKHHNRR-CQSZACIVSA-N 1 0 319.405 3.118 20 5 DGBDRO Cc1c(NC(=O)c2ccc([C@H](C)[NH3+])cc2)c(F)ccc1[N+](=O)[O-] ZINC001579544006 1191979541 /nfs/dbraw/zinc/97/95/41/1191979541.db2.gz OCUYFKOYSWCCBF-JTQLQIEISA-N 1 0 317.320 3.314 20 5 DGBDRO Cc1cc(NCc2cccc3c2CC[NH2+]C3)c(F)cc1[N+](=O)[O-] ZINC001579635997 1191983889 /nfs/dbraw/zinc/98/38/89/1191983889.db2.gz QYGUBQVFTYOMPM-UHFFFAOYSA-N 1 0 315.348 3.300 20 5 DGBDRO [NH3+][C@@H](C[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1)C1CCCC1 ZINC001580126098 1192008512 /nfs/dbraw/zinc/00/85/12/1192008512.db2.gz DXLUEUYMVOEKLX-HIFRSBDPSA-N 1 0 318.421 3.114 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001620582760 1192009925 /nfs/dbraw/zinc/00/99/25/1192009925.db2.gz QZZJHTVTEWCSOE-VXGBXAGGSA-N 1 0 300.362 3.073 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001580874907 1192043315 /nfs/dbraw/zinc/04/33/15/1192043315.db2.gz OAWKWOBKOZLKJY-CQSZACIVSA-N 1 0 303.406 3.201 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCC[NH2+]CC2)c2ccncc21 ZINC001580875798 1192043479 /nfs/dbraw/zinc/04/34/79/1192043479.db2.gz RQEHLCTXNZKYTI-CYBMUJFWSA-N 1 0 314.389 3.335 20 5 DGBDRO Cc1c(CNCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001620699453 1192069947 /nfs/dbraw/zinc/06/99/47/1192069947.db2.gz XUGUSFGIXHYXBU-UHFFFAOYSA-N 1 0 305.422 3.115 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1[N+](=O)[O-] ZINC001620855700 1192463604 /nfs/dbraw/zinc/46/36/04/1192463604.db2.gz JGHWYDIKKPXXFB-GPMSIDNRSA-N 1 0 324.380 3.279 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2nccc3ccccc32)c1 ZINC001620888183 1192554983 /nfs/dbraw/zinc/55/49/83/1192554983.db2.gz PHIXCPLDPCTZLX-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO COc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)ccc1F ZINC001620888771 1192555351 /nfs/dbraw/zinc/55/53/51/1192555351.db2.gz SMPBHKLJSYWZRU-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)[C@@H](O)C(C)C ZINC001620889669 1192556015 /nfs/dbraw/zinc/55/60/15/1192556015.db2.gz GBDVPVLNVGFPQP-INIZCTEOSA-N 1 0 308.422 3.344 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)nc2c1 ZINC001331084108 1178130868 /nfs/dbraw/zinc/13/08/68/1178130868.db2.gz SYAZTUMNBMROIE-IEBDPFPHSA-N 1 0 323.299 3.259 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N(C)C)cc1[N+](=O)[O-] ZINC001333478271 1178611926 /nfs/dbraw/zinc/61/19/26/1178611926.db2.gz LCPAARJNDXDRKT-NUEKZKHPSA-N 1 0 305.422 3.427 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001333876525 1178688491 /nfs/dbraw/zinc/68/84/91/1178688491.db2.gz OZCNSQMDNFEHHD-MBNYWOFBSA-N 1 0 323.824 3.415 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]CCc2ccc(F)c(F)c2)c1 ZINC001334202476 1178735198 /nfs/dbraw/zinc/73/51/98/1178735198.db2.gz ZTWYKGDBNBJEBH-UHFFFAOYSA-N 1 0 306.312 3.248 20 5 DGBDRO C[C@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001335247542 1178877828 /nfs/dbraw/zinc/87/78/28/1178877828.db2.gz YGFGSKQIXMVJAC-AWEZNQCLSA-N 1 0 319.405 3.038 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001335447716 1178911535 /nfs/dbraw/zinc/91/15/35/1178911535.db2.gz JBHZKLJEJQZZLQ-BONVTDFDSA-N 1 0 321.764 3.027 20 5 DGBDRO C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001341741977 1179055342 /nfs/dbraw/zinc/05/53/42/1179055342.db2.gz WJXAAQTWKYNGGR-ZDUSSCGKSA-N 1 0 319.405 3.071 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC001342323269 1179130486 /nfs/dbraw/zinc/13/04/86/1179130486.db2.gz APDDTMLFMLNHBN-GJZGRUSLSA-N 1 0 311.813 3.211 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001343321686 1179255389 /nfs/dbraw/zinc/25/53/89/1179255389.db2.gz XWTMZVBDDDQQNJ-ZNMIVQPWSA-N 1 0 303.406 3.070 20 5 DGBDRO C[C@H](CC[NH+]1CCCC1)OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001346706128 1179737206 /nfs/dbraw/zinc/73/72/06/1179737206.db2.gz GLKAKSAMVVMBFI-ZIAGYGMSSA-N 1 0 320.389 3.116 20 5 DGBDRO COCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC001349659454 1179929639 /nfs/dbraw/zinc/92/96/39/1179929639.db2.gz YAABRURNVMXMCB-UHFFFAOYSA-N 1 0 322.405 3.255 20 5 DGBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])c3ccccc32)CCC1 ZINC001350012824 1179998062 /nfs/dbraw/zinc/99/80/62/1179998062.db2.gz BMPOBGWYSFXZBA-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001354154841 1180732586 /nfs/dbraw/zinc/73/25/86/1180732586.db2.gz FJBFQXGCNYBJDA-STQMWFEESA-N 1 0 318.421 3.242 20 5 DGBDRO Cc1ccc([C@@H](C)NC(=O)[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC001357322832 1181387657 /nfs/dbraw/zinc/38/76/57/1181387657.db2.gz VHYACLPTSIIQPY-DYVFJYSZSA-N 1 0 321.421 3.092 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001458485037 1182530479 /nfs/dbraw/zinc/53/04/79/1182530479.db2.gz UULBOJCGJGZFMX-CYBMUJFWSA-N 1 0 318.421 3.153 20 5 DGBDRO CCC[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001458553511 1182538544 /nfs/dbraw/zinc/53/85/44/1182538544.db2.gz CHFXJLUKZMYRSP-LLVKDONJSA-N 1 0 317.311 3.192 20 5 DGBDRO Cc1c(C[N@@H+](CCO)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC001459785641 1182615525 /nfs/dbraw/zinc/61/55/25/1182615525.db2.gz RSLLWJXXMBCBFG-OAHLLOKOSA-N 1 0 314.385 3.459 20 5 DGBDRO CC(C)[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001459829644 1182621499 /nfs/dbraw/zinc/62/14/99/1182621499.db2.gz FQQBMYFMCCYSIZ-OAHLLOKOSA-N 1 0 319.405 3.434 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC001460123238 1182654618 /nfs/dbraw/zinc/65/46/18/1182654618.db2.gz OSXCLKJVIVKZEJ-WBVHZDCISA-N 1 0 322.405 3.287 20 5 DGBDRO Cc1cc([C@@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001460831375 1182729240 /nfs/dbraw/zinc/72/92/40/1182729240.db2.gz BLINJIYISABHBW-KRWDZBQOSA-N 1 0 314.389 3.396 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(F)(C3CC3)CC2)c1 ZINC001460907898 1182739185 /nfs/dbraw/zinc/73/91/85/1182739185.db2.gz UXQLVCJXMCMMHW-UHFFFAOYSA-N 1 0 308.353 3.188 20 5 DGBDRO Cc1c(CNCC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC001461429646 1182813153 /nfs/dbraw/zinc/81/31/53/1182813153.db2.gz GZPVDQOJJJCBAL-CQSZACIVSA-N 1 0 305.422 3.257 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C12CCC2 ZINC001461566474 1182828177 /nfs/dbraw/zinc/82/81/77/1182828177.db2.gz RYNSQTBXHKFSBK-JKSUJKDBSA-N 1 0 304.390 3.259 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCN1C ZINC001461810031 1182858783 /nfs/dbraw/zinc/85/87/83/1182858783.db2.gz ZSLWKUONUPKZED-QXSWTLKVSA-N 1 0 303.406 3.072 20 5 DGBDRO CCC[NH+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001472638704 1183659715 /nfs/dbraw/zinc/65/97/15/1183659715.db2.gz ZYFVIWPQMFMZNJ-UHFFFAOYSA-N 1 0 317.311 3.146 20 5 DGBDRO C[N@H+](CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC001472670918 1183663728 /nfs/dbraw/zinc/66/37/28/1183663728.db2.gz SVBKHDQBAUEICV-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO C[C@@H](CC[NH+](C)C)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001472676474 1183664909 /nfs/dbraw/zinc/66/49/09/1183664909.db2.gz KDGUFGGTOSFVBL-VIFPVBQESA-N 1 0 305.300 3.366 20 5 DGBDRO CC(C)Oc1nc(NCC[N@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC001472689518 1183667931 /nfs/dbraw/zinc/66/79/31/1183667931.db2.gz OENJCWAIVWQUTC-UHFFFAOYSA-N 1 0 322.409 3.063 20 5 DGBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC001472783108 1183681595 /nfs/dbraw/zinc/68/15/95/1183681595.db2.gz DMSLELISTABPBW-UHFFFAOYSA-N 1 0 320.437 3.327 20 5 DGBDRO CC[N@H+](CCCNc1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC001472825099 1183686351 /nfs/dbraw/zinc/68/63/51/1183686351.db2.gz USOMXZYRENEKEJ-UHFFFAOYSA-N 1 0 306.410 3.446 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001473385783 1183751427 /nfs/dbraw/zinc/75/14/27/1183751427.db2.gz QSIAQBUXIYEKAO-HIFRSBDPSA-N 1 0 319.405 3.400 20 5 DGBDRO C[C@]1(Cc2ccc(Cl)c(F)c2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001473722663 1183793348 /nfs/dbraw/zinc/79/33/48/1183793348.db2.gz LGSWUJZZSIIJNI-CQSZACIVSA-N 1 0 300.761 3.153 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001473885512 1183819070 /nfs/dbraw/zinc/81/90/70/1183819070.db2.gz VKPJDEKATJWOCI-HZPDHXFCSA-N 1 0 320.389 3.137 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001474152308 1183875244 /nfs/dbraw/zinc/87/52/44/1183875244.db2.gz PCUXMYCLNFZJLX-VXGBXAGGSA-N 1 0 308.378 3.225 20 5 DGBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc(C(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC001516431426 1186783622 /nfs/dbraw/zinc/78/36/22/1186783622.db2.gz OODVOYOCBQODMH-SRVKXCTJSA-N 1 0 311.332 3.285 20 5 DGBDRO O=[N+]([O-])c1ncccc1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001612300900 1193449801 /nfs/dbraw/zinc/44/98/01/1193449801.db2.gz FTGHTFCCDMRQNP-UHFFFAOYSA-N 1 0 318.421 3.448 20 5 DGBDRO CC(=O)c1ccc(N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])c1 ZINC001612607461 1193457537 /nfs/dbraw/zinc/45/75/37/1193457537.db2.gz ROOBCKONPYJIIG-HZPDHXFCSA-N 1 0 317.389 3.082 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001612606489 1193457701 /nfs/dbraw/zinc/45/77/01/1193457701.db2.gz CEFYTHIKKZYKCO-ZYHUDNBSSA-N 1 0 306.391 3.099 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001612950317 1193464351 /nfs/dbraw/zinc/46/43/51/1193464351.db2.gz LBGFJSHACGHNNG-AWEZNQCLSA-N 1 0 317.776 3.399 20 5 DGBDRO CC[N@H+](C)[C@@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001613088379 1193467362 /nfs/dbraw/zinc/46/73/62/1193467362.db2.gz TYFTXCFQLJKWJB-LLVKDONJSA-N 1 0 317.311 3.144 20 5 DGBDRO CC[C@@H](OC(=O)CC[NH2+]C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001527987280 1187460981 /nfs/dbraw/zinc/46/09/81/1187460981.db2.gz OVCAMTLSLAKYIX-CQSZACIVSA-N 1 0 308.378 3.367 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001615497093 1193523191 /nfs/dbraw/zinc/52/31/91/1193523191.db2.gz STININYLLJNGTA-UONOGXRCSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001617358646 1193566542 /nfs/dbraw/zinc/56/65/42/1193566542.db2.gz BQDIMXICYRYNHM-JHJVBQTASA-N 1 0 305.378 3.042 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001559305870 1189195316 /nfs/dbraw/zinc/19/53/16/1189195316.db2.gz ZMBKCTXSBMYQFK-CYBMUJFWSA-N 1 0 320.437 3.401 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCCC[C@@H]1CC(C)C ZINC001559551720 1189215514 /nfs/dbraw/zinc/21/55/14/1189215514.db2.gz LYITXCVQRQKBQC-OAHLLOKOSA-N 1 0 308.426 3.390 20 5 DGBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001559752079 1189238909 /nfs/dbraw/zinc/23/89/09/1189238909.db2.gz RNLOOUVIZJKRBW-XJKSGUPXSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H]1C ZINC001559768093 1189240708 /nfs/dbraw/zinc/24/07/08/1189240708.db2.gz CMZOMNMGHMMXEQ-STQMWFEESA-N 1 0 308.378 3.103 20 5 DGBDRO Cc1ccc(CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001559856781 1189251225 /nfs/dbraw/zinc/25/12/25/1189251225.db2.gz KRHUBJPLBLSVAQ-CQSZACIVSA-N 1 0 317.433 3.209 20 5 DGBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001559965251 1189263816 /nfs/dbraw/zinc/26/38/16/1189263816.db2.gz XNUXENSUXNWBLE-BBRMVZONSA-N 1 0 324.421 3.269 20 5 DGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC001560097860 1189277945 /nfs/dbraw/zinc/27/79/45/1189277945.db2.gz QOPBTWSDWJMDSX-GOSISDBHSA-N 1 0 314.385 3.193 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001560223597 1189293791 /nfs/dbraw/zinc/29/37/91/1189293791.db2.gz CCMAEOXQGFYMQJ-DOTOQJQBSA-N 1 0 304.390 3.437 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001560223598 1189294033 /nfs/dbraw/zinc/29/40/33/1189294033.db2.gz CCMAEOXQGFYMQJ-NVXWUHKLSA-N 1 0 304.390 3.437 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C2([C@H]3CCCO3)CCC2)ccc1Cl ZINC001560227172 1189294821 /nfs/dbraw/zinc/29/48/21/1189294821.db2.gz IWRKOWGMZQDWCS-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO CC(C)(C)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001560235297 1189295539 /nfs/dbraw/zinc/29/55/39/1189295539.db2.gz GRLXCUQJAYRRIT-MRXNPFEDSA-N 1 0 306.406 3.274 20 5 DGBDRO CC(C)[C@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001560339711 1189314380 /nfs/dbraw/zinc/31/43/80/1189314380.db2.gz CIRTVKBWONGOLE-MRXNPFEDSA-N 1 0 318.373 3.351 20 5 DGBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CC1CC=CC1 ZINC001560534717 1189337743 /nfs/dbraw/zinc/33/77/43/1189337743.db2.gz OWGRTKGNEITBSV-UHFFFAOYSA-N 1 0 311.179 3.413 20 5 DGBDRO CON(C)C(=O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001560584550 1189344088 /nfs/dbraw/zinc/34/40/88/1189344088.db2.gz MVPPQNAUAGIHDD-UHFFFAOYSA-N 1 0 308.381 3.102 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+](C2CCCC2)CC1 ZINC001560729125 1189369370 /nfs/dbraw/zinc/36/93/70/1189369370.db2.gz WQGXBZLGDRCVGK-UHFFFAOYSA-N 1 0 317.433 3.272 20 5 DGBDRO [NH3+]CCN(C[C@@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001560809231 1189384866 /nfs/dbraw/zinc/38/48/66/1189384866.db2.gz DFMJLPOCORECTD-HNNXBMFYSA-N 1 0 311.385 3.090 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC2(C3CCC3)CCC2)c1[N+](=O)[O-] ZINC001560873097 1189397903 /nfs/dbraw/zinc/39/79/03/1189397903.db2.gz FCVQDMWJLRNZQD-UHFFFAOYSA-N 1 0 320.389 3.369 20 5 DGBDRO COC[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC001561020886 1189421416 /nfs/dbraw/zinc/42/14/16/1189421416.db2.gz UBDTXYUZDRDJIT-GDBMZVCRSA-N 1 0 308.422 3.424 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001620643774 1193785662 /nfs/dbraw/zinc/78/56/62/1193785662.db2.gz QAIGWLBHLWXKKX-LBPRGKRZSA-N 1 0 323.368 3.327 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001620643585 1193786164 /nfs/dbraw/zinc/78/61/64/1193786164.db2.gz KGYJDPRPMNZUMR-CYBMUJFWSA-N 1 0 316.361 3.409 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001620669709 1193789280 /nfs/dbraw/zinc/78/92/80/1193789280.db2.gz YECGLULGISIUOH-DOTOQJQBSA-N 1 0 320.389 3.137 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](OC)C1CCCCC1 ZINC001621197498 1193815836 /nfs/dbraw/zinc/81/58/36/1193815836.db2.gz JSOUJSHEIRARHE-KRWDZBQOSA-N 1 0 322.405 3.288 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC1(C)C ZINC001621388157 1193836972 /nfs/dbraw/zinc/83/69/72/1193836972.db2.gz ZEIGOLDYJDFQOX-OAHLLOKOSA-N 1 0 319.449 3.380 20 5 DGBDRO Cc1c(CN2CCC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC001621570326 1193860448 /nfs/dbraw/zinc/86/04/48/1193860448.db2.gz QYRJOGKJTWLVCO-UHFFFAOYSA-N 1 0 305.422 3.256 20 5 DGBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCCCCC1 ZINC001639235522 1194756713 /nfs/dbraw/zinc/75/67/13/1194756713.db2.gz DETYVHCPBYFOMQ-HNNXBMFYSA-N 1 0 324.400 3.441 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1(C)C ZINC001640067284 1194794508 /nfs/dbraw/zinc/79/45/08/1194794508.db2.gz FQLYQVJAIIERPG-CABCVRRESA-N 1 0 314.389 3.284 20 5 DGBDRO CC1CCC([NH+]2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC001642275785 1194897757 /nfs/dbraw/zinc/89/77/57/1194897757.db2.gz YVAYTILLPSPEEO-UHFFFAOYSA-N 1 0 321.396 3.435 20 5 DGBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001642419288 1194909460 /nfs/dbraw/zinc/90/94/60/1194909460.db2.gz DSJRNWZKFZECNN-CQSZACIVSA-N 1 0 304.390 3.486 20 5 DGBDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001642696019 1194929627 /nfs/dbraw/zinc/92/96/27/1194929627.db2.gz PBKAWDPIJRGUEB-HNNXBMFYSA-N 1 0 320.776 3.380 20 5 DGBDRO O=[N+]([O-])c1ccc(NCc2ccc3c[nH+]cn3c2)c2ccncc21 ZINC001642775239 1194938399 /nfs/dbraw/zinc/93/83/99/1194938399.db2.gz GWAIRFCNVIWCFH-UHFFFAOYSA-N 1 0 319.324 3.403 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1(C)C ZINC001642841498 1194946462 /nfs/dbraw/zinc/94/64/62/1194946462.db2.gz SQLLKKGADGBDCB-QWHCGFSZSA-N 1 0 320.418 3.345 20 5 DGBDRO CCC(CC)[NH2+]CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001642881908 1194950835 /nfs/dbraw/zinc/95/08/35/1194950835.db2.gz UOGPQSAEOCUAHF-UHFFFAOYSA-N 1 0 302.378 3.333 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](C3CCC3)C2)cc1 ZINC001643881970 1195060044 /nfs/dbraw/zinc/06/00/44/1195060044.db2.gz AWZZWDRFYGVKPI-OAHLLOKOSA-N 1 0 304.390 3.486 20 5 DGBDRO C[NH+]1C[C@@]2(C)CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC001644042199 1195077333 /nfs/dbraw/zinc/07/73/33/1195077333.db2.gz MHFNMUGYAKKUEE-HOTGVXAUSA-N 1 0 323.824 3.022 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001644507475 1195113844 /nfs/dbraw/zinc/11/38/44/1195113844.db2.gz IKLFQOGSKORTQV-WCQYABFASA-N 1 0 314.389 3.382 20 5 DGBDRO Cc1cccc2c1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC001645269248 1195170392 /nfs/dbraw/zinc/17/03/92/1195170392.db2.gz OWDBCZOVXMGMAD-UHFFFAOYSA-N 1 0 312.369 3.340 20 5 DGBDRO Cc1c(CN2CC[N@@H+](C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001645732310 1195199349 /nfs/dbraw/zinc/19/93/49/1195199349.db2.gz GMERRODNHSNUGQ-UHFFFAOYSA-N 1 0 317.433 3.354 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001648476244 1195302506 /nfs/dbraw/zinc/30/25/06/1195302506.db2.gz HFKQAFDXSDWHIH-PZMTTYODSA-N 1 0 316.401 3.471 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001650744672 1195377773 /nfs/dbraw/zinc/37/77/73/1195377773.db2.gz JVJGVJWGFSNBSU-AWEZNQCLSA-N 1 0 318.421 3.155 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccc3cnn(C)c3c2)cccc1[N+](=O)[O-] ZINC001651125492 1195417299 /nfs/dbraw/zinc/41/72/99/1195417299.db2.gz UCOOCYOPQIQJEE-UHFFFAOYSA-N 1 0 310.357 3.080 20 5 DGBDRO Cc1cc(N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c(F)cc1[N+](=O)[O-] ZINC001651240796 1195430988 /nfs/dbraw/zinc/43/09/88/1195430988.db2.gz SMDYNWFPNGCWDO-CABCVRRESA-N 1 0 307.369 3.327 20 5 DGBDRO Cc1cc(N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c(F)cc1[N+](=O)[O-] ZINC001651240799 1195431585 /nfs/dbraw/zinc/43/15/85/1195431585.db2.gz SMDYNWFPNGCWDO-LSDHHAIUSA-N 1 0 307.369 3.327 20 5 DGBDRO C[N@@H+]1CCC[C@H]1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001651296544 1195439729 /nfs/dbraw/zinc/43/97/29/1195439729.db2.gz VDCBLDWXNHTVCT-JTQLQIEISA-N 1 0 303.284 3.120 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCC(=O)OC(C)(C)C ZINC001651756721 1195505673 /nfs/dbraw/zinc/50/56/73/1195505673.db2.gz IILXSMCXBFKVFR-UHFFFAOYSA-N 1 0 322.405 3.375 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1(C)C ZINC001651972614 1195530138 /nfs/dbraw/zinc/53/01/38/1195530138.db2.gz HKVRLHSAJGFIDO-HUUCEWRRSA-N 1 0 314.389 3.284 20 5 DGBDRO CC(C)C[N@H+](C)CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC001652010206 1195535386 /nfs/dbraw/zinc/53/53/86/1195535386.db2.gz BFANJMANCSSRMI-UHFFFAOYSA-N 1 0 301.337 3.263 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)c1 ZINC001652337398 1195584638 /nfs/dbraw/zinc/58/46/38/1195584638.db2.gz WFNOELCMZJCZIR-HDICACEKSA-N 1 0 315.417 3.215 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](CO)CC(C)(C)C ZINC001653619408 1195738419 /nfs/dbraw/zinc/73/84/19/1195738419.db2.gz SJRHZDLBMCOGRR-ZDUSSCGKSA-N 1 0 314.813 3.477 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC001653646417 1195740912 /nfs/dbraw/zinc/74/09/12/1195740912.db2.gz SUNLBMOPLMTCJR-HOTGVXAUSA-N 1 0 322.405 3.285 20 5 DGBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC001654616749 1195822582 /nfs/dbraw/zinc/82/25/82/1195822582.db2.gz MMYSFLHDROBALR-GOSISDBHSA-N 1 0 314.385 3.459 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC001654731396 1195833760 /nfs/dbraw/zinc/83/37/60/1195833760.db2.gz XPNMDZPSLDBKAN-CYBMUJFWSA-N 1 0 321.421 3.456 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001654893108 1195850926 /nfs/dbraw/zinc/85/09/26/1195850926.db2.gz OCTFYLJYHUVQGK-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO C[C@H](NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001655554348 1195930689 /nfs/dbraw/zinc/93/06/89/1195930689.db2.gz DWZZDNWGEQUUIN-ZNMIVQPWSA-N 1 0 305.422 3.223 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC001655555524 1195931028 /nfs/dbraw/zinc/93/10/28/1195931028.db2.gz SCEMJLPOAGZMIT-QWHCGFSZSA-N 1 0 313.357 3.273 20 5 DGBDRO Cc1c(C[N@@H+]2CCCC[C@@]23CCCOC3)cccc1[N+](=O)[O-] ZINC001655922781 1195977440 /nfs/dbraw/zinc/97/74/40/1195977440.db2.gz UYLHEWJFEVFBPG-KRWDZBQOSA-N 1 0 304.390 3.438 20 5 DGBDRO COCC[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001656278512 1196026321 /nfs/dbraw/zinc/02/63/21/1196026321.db2.gz FWLOYDBKQDLPHL-LBPRGKRZSA-N 1 0 304.346 3.369 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](C)N2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC001656774066 1196070545 /nfs/dbraw/zinc/07/05/45/1196070545.db2.gz IWLLLWYAGWZCOJ-KGLIPLIRSA-N 1 0 305.422 3.256 20 5 DGBDRO C[C@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(C)(C)C ZINC001656976705 1196088727 /nfs/dbraw/zinc/08/87/27/1196088727.db2.gz KNCMKHHTYXIQLL-CQSZACIVSA-N 1 0 305.422 3.399 20 5 DGBDRO C[C@H](C[C@H]1CCOC1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001657549085 1196154030 /nfs/dbraw/zinc/15/40/30/1196154030.db2.gz DXJBCTMILBUETM-VXGBXAGGSA-N 1 0 312.797 3.195 20 5 DGBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001657549084 1196154134 /nfs/dbraw/zinc/15/41/34/1196154134.db2.gz DXJBCTMILBUETM-RYUDHWBXSA-N 1 0 312.797 3.195 20 5 DGBDRO CC1(C)CO[C@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC001657600161 1196158272 /nfs/dbraw/zinc/15/82/72/1196158272.db2.gz VHGKQWCHBWGDCA-INIZCTEOSA-N 1 0 304.390 3.374 20 5 DGBDRO CC1(C)CO[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC001657600164 1196158790 /nfs/dbraw/zinc/15/87/90/1196158790.db2.gz VHGKQWCHBWGDCA-MRXNPFEDSA-N 1 0 304.390 3.374 20 5 DGBDRO Cn1c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc2ccccc21 ZINC001657712683 1196171566 /nfs/dbraw/zinc/17/15/66/1196171566.db2.gz GKASULVPNOALKD-UHFFFAOYSA-N 1 0 309.369 3.419 20 5 DGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001658354005 1196245996 /nfs/dbraw/zinc/24/59/96/1196245996.db2.gz BUHOLYLWZOKFAI-CZUORRHYSA-N 1 0 319.405 3.482 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001658392314 1196250988 /nfs/dbraw/zinc/25/09/88/1196250988.db2.gz JTASOIRTGRZMHP-IYBDPMFKSA-N 1 0 319.449 3.047 20 5 DGBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001658576516 1196275246 /nfs/dbraw/zinc/27/52/46/1196275246.db2.gz ONRFAQPQAVNUNW-STQMWFEESA-N 1 0 319.405 3.338 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC001658620457 1196281332 /nfs/dbraw/zinc/28/13/32/1196281332.db2.gz JOQAEXZIJBYKKZ-CQSZACIVSA-N 1 0 304.390 3.260 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC001659282597 1196367110 /nfs/dbraw/zinc/36/71/10/1196367110.db2.gz KJYMXQNCHFBZBH-GOSISDBHSA-N 1 0 314.385 3.377 20 5 DGBDRO C[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001660399711 1196480143 /nfs/dbraw/zinc/48/01/43/1196480143.db2.gz VCXPRUVIJCQMFB-MAQMMGONSA-N 1 0 302.349 3.378 20 5 DGBDRO Cc1c(C[NH2+]CCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001660902994 1196540649 /nfs/dbraw/zinc/54/06/49/1196540649.db2.gz XENSGIZZAMIESD-UHFFFAOYSA-N 1 0 304.321 3.211 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC001663405300 1196859528 /nfs/dbraw/zinc/85/95/28/1196859528.db2.gz NLZXHKZFVLFYDM-ALLJEULLSA-N 1 0 324.446 3.107 20 5 DGBDRO [NH3+]CCN(CCc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001664627086 1197023619 /nfs/dbraw/zinc/02/36/19/1197023619.db2.gz KXVSWCAMGZUQMZ-UHFFFAOYSA-N 1 0 319.792 3.256 20 5 DGBDRO CC1(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]CC1 ZINC000229632576 1200981153 /nfs/dbraw/zinc/98/11/53/1200981153.db2.gz TZHKYZFVCDUURX-UHFFFAOYSA-N 1 0 303.284 3.168 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000230203218 1202597669 /nfs/dbraw/zinc/59/76/69/1202597669.db2.gz KZGPSUOGOFPBKE-JMCQJSRRSA-N 1 0 305.161 3.278 20 5 DGBDRO CC[C@@H]([NH2+]CCc1nc(C(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000180712921 1204333068 /nfs/dbraw/zinc/33/30/68/1204333068.db2.gz LTNOUNOZZZWLQL-CQSZACIVSA-N 1 0 318.377 3.385 20 5 DGBDRO [NH3+]Cc1ccc2c(n1)N(c1cc([N+](=O)[O-])cc3cc[nH]c31)CCC2 ZINC001169592267 1081599639 /nfs/dbraw/zinc/59/96/39/1081599639.db2.gz JRLMGRZIJQCYPO-UHFFFAOYSA-N 1 0 323.356 3.014 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001169715517 1081637729 /nfs/dbraw/zinc/63/77/29/1081637729.db2.gz DYXMYBPPHYGDNU-UHFFFAOYSA-N 1 0 306.410 3.011 20 5 DGBDRO O=[N+]([O-])c1cc(NCC23CC[NH+](CC2)CC3)cc2cccnc21 ZINC001169802854 1081653423 /nfs/dbraw/zinc/65/34/23/1081653423.db2.gz RMGLBCGRSSCBAI-UHFFFAOYSA-N 1 0 312.373 3.041 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC001156379282 1081658087 /nfs/dbraw/zinc/65/80/87/1081658087.db2.gz SPTBHCURFPCTGN-LLVKDONJSA-N 1 0 312.801 3.095 20 5 DGBDRO Cc1cc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001648794278 1081772933 /nfs/dbraw/zinc/77/29/33/1081772933.db2.gz GHLQRSFBUFXBIK-AVGNSLFASA-N 1 0 305.378 3.103 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cnccc2C)c([N+](=O)[O-])c1 ZINC001170295677 1082337236 /nfs/dbraw/zinc/33/72/36/1082337236.db2.gz DNZMQTBCMQVRQL-CYBMUJFWSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170294755 1082337374 /nfs/dbraw/zinc/33/73/74/1082337374.db2.gz CICYXMJICHJWIS-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cnccc2C)c([N+](=O)[O-])c1 ZINC001170295678 1082337549 /nfs/dbraw/zinc/33/75/49/1082337549.db2.gz DNZMQTBCMQVRQL-ZDUSSCGKSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170296222 1082337563 /nfs/dbraw/zinc/33/75/63/1082337563.db2.gz FQMRKQPHAAHVOS-GFCCVEGCSA-N 1 0 316.357 3.030 20 5 DGBDRO CCCCOCCC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170306428 1082339617 /nfs/dbraw/zinc/33/96/17/1082339617.db2.gz UYQMDPJZCJFHMN-AWEZNQCLSA-N 1 0 324.421 3.331 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]CCOC2CCCC2)c([N+](=O)[O-])c1 ZINC001170318919 1082344707 /nfs/dbraw/zinc/34/47/07/1082344707.db2.gz SIAAGSBBLMBDDW-ZDUSSCGKSA-N 1 0 322.405 3.083 20 5 DGBDRO CO[C@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC001170324867 1082346230 /nfs/dbraw/zinc/34/62/30/1082346230.db2.gz TUUFHSGCWWCHRB-HOTGVXAUSA-N 1 0 304.390 3.293 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170328384 1082348003 /nfs/dbraw/zinc/34/80/03/1082348003.db2.gz KGZYQAZUCAFMTD-OCCSQVGLSA-N 1 0 310.369 3.358 20 5 DGBDRO COc1cc([N+](=O)[O-])cnc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170447969 1082471992 /nfs/dbraw/zinc/47/19/92/1082471992.db2.gz PHGVCJYTRLDQLA-UHFFFAOYSA-N 1 0 322.409 3.062 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC001182006889 1083612859 /nfs/dbraw/zinc/61/28/59/1083612859.db2.gz AJQIQIBSUGYWCK-GOSISDBHSA-N 1 0 320.433 3.442 20 5 DGBDRO O=[N+]([O-])c1c(NCC[NH+]2CCCCCC2)ccc2cnccc21 ZINC001184810897 1084270369 /nfs/dbraw/zinc/27/03/69/1084270369.db2.gz BJCREHYXHYVHGO-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO CN(CC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001186793033 1084704078 /nfs/dbraw/zinc/70/40/78/1084704078.db2.gz WUCYRXGFJNDXFG-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227129633 1086499052 /nfs/dbraw/zinc/49/90/52/1086499052.db2.gz LLOAWJLKYCMGGG-MRVPVSSYSA-N 1 0 305.161 3.375 20 5 DGBDRO Cc1ccc2c(ccnc2NC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001168181836 1087027435 /nfs/dbraw/zinc/02/74/35/1087027435.db2.gz FMJRWWKLYCZZLL-UHFFFAOYSA-N 1 0 300.362 3.005 20 5 DGBDRO CC1(C)C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001158264059 1087748962 /nfs/dbraw/zinc/74/89/62/1087748962.db2.gz ANNNTIBWSBPUSM-XHDPSFHLSA-N 1 0 310.373 3.085 20 5 DGBDRO CCC(C)(C)CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001158810355 1088040856 /nfs/dbraw/zinc/04/08/56/1088040856.db2.gz MONINIYPGJSFSY-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO CC(C)(C[NH3+])c1ccc(Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001159579505 1088400166 /nfs/dbraw/zinc/40/01/66/1088400166.db2.gz CVNDECNCZVMODI-UHFFFAOYSA-N 1 0 300.362 3.157 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nccc(C)c3[N+](=O)[O-])c2c1 ZINC001160012185 1088600311 /nfs/dbraw/zinc/60/03/11/1088600311.db2.gz QXHWVZPCJBMGPV-ZDUSSCGKSA-N 1 0 324.384 3.440 20 5 DGBDRO O=[N+]([O-])c1ccccc1Nc1c(F)cccc1O[C@@H]1CC[NH2+]C1 ZINC001160129540 1088656026 /nfs/dbraw/zinc/65/60/26/1088656026.db2.gz HEHOJLLTTXJNCY-LLVKDONJSA-N 1 0 317.320 3.218 20 5 DGBDRO O=[N+]([O-])c1cc(Nc2ccccc2O[C@@H]2CC[NH2+]C2)ccc1F ZINC001160166361 1088681218 /nfs/dbraw/zinc/68/12/18/1088681218.db2.gz AHRQYYHCRKLHFE-GFCCVEGCSA-N 1 0 317.320 3.218 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)cn1 ZINC001160265194 1088730867 /nfs/dbraw/zinc/73/08/67/1088730867.db2.gz LMBBZWYDNUDKTN-CQSZACIVSA-N 1 0 312.373 3.276 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001155026954 1088904258 /nfs/dbraw/zinc/90/42/58/1088904258.db2.gz XOJWOAYRXGMQQJ-JSGCOSHPSA-N 1 0 314.389 3.191 20 5 DGBDRO Cc1ccnc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001160842121 1088989454 /nfs/dbraw/zinc/98/94/54/1088989454.db2.gz CCTCMSKMTIGVLS-UHFFFAOYSA-N 1 0 324.384 3.478 20 5 DGBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001155247418 1089023809 /nfs/dbraw/zinc/02/38/09/1089023809.db2.gz HHVNAECKNWLINK-MRVPVSSYSA-N 1 0 317.736 3.002 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001155300988 1089056801 /nfs/dbraw/zinc/05/68/01/1089056801.db2.gz ZFYFWYREKLVMMW-CQSZACIVSA-N 1 0 320.352 3.165 20 5 DGBDRO CCC(CC)[NH+]1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001161094717 1089111619 /nfs/dbraw/zinc/11/16/19/1089111619.db2.gz HXUVWSCGCNWBTB-UHFFFAOYSA-N 1 0 306.410 3.363 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([NH3+])(CC3CCC3)CC2)n1 ZINC001161571273 1089291457 /nfs/dbraw/zinc/29/14/57/1089291457.db2.gz DRQDJPUHYPTKOL-UHFFFAOYSA-N 1 0 318.421 3.095 20 5 DGBDRO C[C@@H](C[NH+](C)C)Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001155924110 1089304040 /nfs/dbraw/zinc/30/40/40/1089304040.db2.gz RGWLDVWLFBZEAH-VIFPVBQESA-N 1 0 308.769 3.158 20 5 DGBDRO Cc1nc(-n2c(C[NH3+])cc3cc(Cl)ccc32)ccc1[N+](=O)[O-] ZINC001155989931 1089333955 /nfs/dbraw/zinc/33/39/55/1089333955.db2.gz SXEGXQPMTPXXRP-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001156377736 1089495053 /nfs/dbraw/zinc/49/50/53/1089495053.db2.gz CNBKGFQISHHCFZ-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+](C)C2)nc1Cl ZINC001156379961 1089498238 /nfs/dbraw/zinc/49/82/38/1089498238.db2.gz XQMFDTDTDIPCMZ-LLVKDONJSA-N 1 0 312.801 3.095 20 5 DGBDRO CC(C)(C)[NH+]1CC(Nc2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001162222042 1089613781 /nfs/dbraw/zinc/61/37/81/1089613781.db2.gz ZHTHJYODABOUDD-UHFFFAOYSA-N 1 0 300.362 3.038 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001162454872 1089740422 /nfs/dbraw/zinc/74/04/22/1089740422.db2.gz AUGDXNDZDCVZFC-DGCLKSJQSA-N 1 0 302.378 3.124 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001162467951 1089748797 /nfs/dbraw/zinc/74/87/97/1089748797.db2.gz TYNYUHHFSGHMOL-OLZOCXBDSA-N 1 0 314.389 3.191 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(NC[C@@H]3C[C@H](F)C[NH2+]3)cc2)cc1 ZINC001162477681 1089753554 /nfs/dbraw/zinc/75/35/54/1089753554.db2.gz NWQWWRODDSUNHU-HOCLYGCPSA-N 1 0 315.348 3.374 20 5 DGBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001157009495 1089785789 /nfs/dbraw/zinc/78/57/89/1089785789.db2.gz JBBLEMYEYRXCSD-CQSZACIVSA-N 1 0 314.389 3.062 20 5 DGBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001157009835 1089786486 /nfs/dbraw/zinc/78/64/86/1089786486.db2.gz NGOWMYXZOAFOSL-OAHLLOKOSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001162765160 1089937558 /nfs/dbraw/zinc/93/75/58/1089937558.db2.gz DICDELBZAGXLDW-SNVBAGLBSA-N 1 0 321.340 3.435 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@]23CCC[NH2+]C3)n1 ZINC001157472262 1089985776 /nfs/dbraw/zinc/98/57/76/1089985776.db2.gz VGSLBOZKQKHAJX-HNNXBMFYSA-N 1 0 324.812 3.064 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001162841063 1089987122 /nfs/dbraw/zinc/98/71/22/1089987122.db2.gz CSLSSKZEKRIVSK-ZDUSSCGKSA-N 1 0 320.352 3.165 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001162841836 1089987217 /nfs/dbraw/zinc/98/72/17/1089987217.db2.gz QIFKUSWMSSURBO-AWEZNQCLSA-N 1 0 320.352 3.165 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001162847388 1089991520 /nfs/dbraw/zinc/99/15/20/1089991520.db2.gz OKRVPKQYWFOGTK-CYBMUJFWSA-N 1 0 308.341 3.098 20 5 DGBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc3ncc([N+](=O)[O-])n3c2)c1 ZINC001162909267 1090020108 /nfs/dbraw/zinc/02/01/08/1090020108.db2.gz LDHNPLDXWUHYNR-NSHDSACASA-N 1 0 321.340 3.206 20 5 DGBDRO COC(=O)[C@@H](Nc1nc2ccccc2c2ccccc12)C(C)(C)[NH3+] ZINC001162956147 1090034164 /nfs/dbraw/zinc/03/41/64/1090034164.db2.gz LWHZTBXMWRTYLS-MRXNPFEDSA-N 1 0 323.396 3.079 20 5 DGBDRO c1cnc2c(c1)cc(N[C@@]13CCC[C@@H]1[NH2+]CC3)c1cccnc12 ZINC001162988379 1090047698 /nfs/dbraw/zinc/04/76/98/1090047698.db2.gz WYVCDMTUIKONJY-QFBILLFUSA-N 1 0 304.397 3.480 20 5 DGBDRO CCCN(CC[NH+](CC)CC)c1c(F)cc([N+](=O)[O-])cc1F ZINC001163018755 1090055680 /nfs/dbraw/zinc/05/56/80/1090055680.db2.gz CYHIOALZOCREMF-UHFFFAOYSA-N 1 0 315.364 3.431 20 5 DGBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001157739681 1090091775 /nfs/dbraw/zinc/09/17/75/1090091775.db2.gz DQQZEGLNLWRMHW-BXKDBHETSA-N 1 0 320.780 3.112 20 5 DGBDRO c1ccc2cc3c(cc2c1)ncnc3N[C@H]1C[NH+]2CCC1CC2 ZINC001163388134 1090173196 /nfs/dbraw/zinc/17/31/96/1090173196.db2.gz RFXAORYYBHSTHV-SFHVURJKSA-N 1 0 304.397 3.289 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1NCCC(=O)OC(C)(C)C ZINC001163414376 1090181721 /nfs/dbraw/zinc/18/17/21/1090181721.db2.gz MREBBBOHBZOEEC-UHFFFAOYSA-N 1 0 307.458 3.427 20 5 DGBDRO CCOc1cc(NCCC[N@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC001163656482 1090224910 /nfs/dbraw/zinc/22/49/10/1090224910.db2.gz GQOZCOHDPYCQPV-UHFFFAOYSA-N 1 0 309.410 3.383 20 5 DGBDRO CC(C)(C)CCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124782213 1090326479 /nfs/dbraw/zinc/32/64/79/1090326479.db2.gz FRVJAGGULYXFLW-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO CC(C)N(CCC[NH3+])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001164122421 1090348106 /nfs/dbraw/zinc/34/81/06/1090348106.db2.gz COTZRIOHLOMQMT-UHFFFAOYSA-N 1 0 305.300 3.177 20 5 DGBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc2ccc3cccnc3c2n1 ZINC001165072068 1090460304 /nfs/dbraw/zinc/46/03/04/1090460304.db2.gz KFJAKNOCXWVVNX-INIZCTEOSA-N 1 0 306.413 3.313 20 5 DGBDRO [NH3+]C1CC2(C1)CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001165242942 1090487243 /nfs/dbraw/zinc/48/72/43/1090487243.db2.gz ANWQPMXJGGFOFE-UHFFFAOYSA-N 1 0 318.424 3.491 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2cc3cccnc3c([N+](=O)[O-])c2)C1 ZINC001165290180 1090497881 /nfs/dbraw/zinc/49/78/81/1090497881.db2.gz PUJAOZVWDSVTLE-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001168593190 1090592963 /nfs/dbraw/zinc/59/29/63/1090592963.db2.gz IGUGPPBNEWWDGJ-HOCLYGCPSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CCCc3cccnc31)C[NH2+]C2 ZINC001168662738 1090685373 /nfs/dbraw/zinc/68/53/73/1090685373.db2.gz ZMYWHEKVFJYNBF-CQSZACIVSA-N 1 0 310.357 3.083 20 5 DGBDRO C[NH2+]Cc1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC001167033524 1090699193 /nfs/dbraw/zinc/69/91/93/1090699193.db2.gz PBFBOUYVDHWTNZ-UHFFFAOYSA-N 1 0 309.329 3.001 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CCCS1 ZINC001203276250 1090710605 /nfs/dbraw/zinc/71/06/05/1090710605.db2.gz KOCSMHCETAIBMF-CQSZACIVSA-N 1 0 310.419 3.369 20 5 DGBDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001203470182 1090739222 /nfs/dbraw/zinc/73/92/22/1090739222.db2.gz CSJNUNOPDAJVMD-CYBMUJFWSA-N 1 0 315.373 3.039 20 5 DGBDRO C[NH+](C)CCOc1cc(F)ccc1Nc1ccccc1[N+](=O)[O-] ZINC001206180436 1091524682 /nfs/dbraw/zinc/52/46/82/1091524682.db2.gz QZGASKFMQAJWCS-UHFFFAOYSA-N 1 0 319.336 3.418 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Br)c(F)cc1F ZINC001230952668 1091647880 /nfs/dbraw/zinc/64/78/80/1091647880.db2.gz ZXIQICAWLOJYBW-MRVPVSSYSA-N 1 0 309.174 3.201 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(C)CC1(C)C ZINC001207357544 1091935201 /nfs/dbraw/zinc/93/52/01/1091935201.db2.gz OTHVRHCFDVJPJZ-SJKOYZFVSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)C1CC1 ZINC001207684186 1092069250 /nfs/dbraw/zinc/06/92/50/1092069250.db2.gz CRLDXQMDTKQQOR-GFCCVEGCSA-N 1 0 319.405 3.338 20 5 DGBDRO Cc1ccnc(-n2c(C[NH3+])cc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC001155989425 1092298994 /nfs/dbraw/zinc/29/89/94/1092298994.db2.gz HOEMMKUZPOJQSM-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO CC(C)(C)CCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001168796380 1092366949 /nfs/dbraw/zinc/36/69/49/1092366949.db2.gz XBHIHSSXAZVTFH-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1NCCCCc1ccccn1)C[NH2+]C2 ZINC001168798540 1092368913 /nfs/dbraw/zinc/36/89/13/1092368913.db2.gz XBPFDTZBEOGHKW-UHFFFAOYSA-N 1 0 312.373 3.028 20 5 DGBDRO [NH3+]CCN(c1cccnc1)c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001168838404 1092391056 /nfs/dbraw/zinc/39/10/56/1092391056.db2.gz KSBBFVQQGWBUFU-UHFFFAOYSA-N 1 0 308.341 3.240 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2F)C1 ZINC001168978305 1092458677 /nfs/dbraw/zinc/45/86/77/1092458677.db2.gz RAEXGEOIWOXLPU-PSASIEDQSA-N 1 0 304.724 3.153 20 5 DGBDRO [NH2+]=C(N[C@H]1CC[C@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001168967341 1092467993 /nfs/dbraw/zinc/46/79/93/1092467993.db2.gz OUEFVKPXLJTZOT-INRQWTSDSA-N 1 0 305.422 3.215 20 5 DGBDRO [NH3+]CCc1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccc(Cl)cc12 ZINC001168967134 1092468835 /nfs/dbraw/zinc/46/88/35/1092468835.db2.gz NPKVOMRRVWKFCK-SMDDNHRTSA-N 1 0 321.808 3.414 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001168967366 1092468844 /nfs/dbraw/zinc/46/88/44/1092468844.db2.gz PAKPXNMTISSKIS-ZANVPECISA-N 1 0 320.286 3.380 20 5 DGBDRO Cc1c(CC[NH3+])c2ccccc2n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968200 1092470268 /nfs/dbraw/zinc/47/02/68/1092470268.db2.gz XIWNJJLAOSXWDJ-ZIAGYGMSSA-N 1 0 301.390 3.069 20 5 DGBDRO COCCC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998523 1092478568 /nfs/dbraw/zinc/47/85/68/1092478568.db2.gz ODMNEDWHRZYNMI-CHWSQXEVSA-N 1 0 320.380 3.006 20 5 DGBDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ccccc1F ZINC001168999093 1092479307 /nfs/dbraw/zinc/47/93/07/1092479307.db2.gz RXINPKXKPIUEDB-DZGCQCFKSA-N 1 0 308.397 3.429 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC001168997882 1092479415 /nfs/dbraw/zinc/47/94/15/1092479415.db2.gz GDVZAYNDUDJPEM-RISCZKNCSA-N 1 0 319.336 3.016 20 5 DGBDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ccccc1F ZINC001168999094 1092480743 /nfs/dbraw/zinc/48/07/43/1092480743.db2.gz RXINPKXKPIUEDB-HIFRSBDPSA-N 1 0 308.397 3.429 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3F)no2)C1 ZINC001169004920 1092483793 /nfs/dbraw/zinc/48/37/93/1092483793.db2.gz SANKVHNDAZPJOY-VXGBXAGGSA-N 1 0 319.336 3.016 20 5 DGBDRO Cc1ccccc1OC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006360 1092485547 /nfs/dbraw/zinc/48/55/47/1092485547.db2.gz GXNHARXBRARTOK-CVEARBPZSA-N 1 0 318.417 3.284 20 5 DGBDRO Cc1ccccc1OC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006362 1092485956 /nfs/dbraw/zinc/48/59/56/1092485956.db2.gz GXNHARXBRARTOK-HZPDHXFCSA-N 1 0 318.417 3.284 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC001168989378 1092491633 /nfs/dbraw/zinc/49/16/33/1092491633.db2.gz WIWISZVJYNBCFZ-WBVHZDCISA-N 1 0 317.433 3.212 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168988194 1092492224 /nfs/dbraw/zinc/49/22/24/1092492224.db2.gz OWIRZPSYGDRKHU-DZGCQCFKSA-N 1 0 314.385 3.383 20 5 DGBDRO Cc1ccc2c(c1)c1c(n2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[NH2+]C1 ZINC001169027825 1092492490 /nfs/dbraw/zinc/49/24/90/1092492490.db2.gz QVHTTWGWKGTMNB-UONOGXRCSA-N 1 0 313.401 3.213 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001168988390 1092492624 /nfs/dbraw/zinc/49/26/24/1092492624.db2.gz RVEZEZKAOLTFKR-HFBAOOFYSA-N 1 0 308.809 3.232 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3ccccc3F)CC2)C1 ZINC001169029063 1092494470 /nfs/dbraw/zinc/49/44/70/1092494470.db2.gz UFBCTQPHXQSTRJ-HIFRSBDPSA-N 1 0 306.381 3.451 20 5 DGBDRO CCC(CC)CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001169372043 1092658456 /nfs/dbraw/zinc/65/84/56/1092658456.db2.gz ZFCBPJXYEOSNFD-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO O=[N+]([O-])c1cc(Nc2cc[nH+]c(N3CCCC3)c2)ccc1O ZINC001210394310 1093152066 /nfs/dbraw/zinc/15/20/66/1093152066.db2.gz UQIKWXJVMLVRDA-UHFFFAOYSA-N 1 0 300.318 3.039 20 5 DGBDRO Cc1cc(Nc2ccc(F)cc2[N+](=O)[O-])n(-c2cc[nH+]cc2)n1 ZINC001210952198 1093334004 /nfs/dbraw/zinc/33/40/04/1093334004.db2.gz ANWORJNOQVCTKB-UHFFFAOYSA-N 1 0 313.292 3.367 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001119981804 1094331718 /nfs/dbraw/zinc/33/17/18/1094331718.db2.gz BHDNSZCMLUHJFD-SGMGOOAPSA-N 1 0 323.824 3.415 20 5 DGBDRO C[C@@H](OCCCCCCC[NH3+])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001217835098 1094502356 /nfs/dbraw/zinc/50/23/56/1094502356.db2.gz WSGXHYPYUDMCDK-GFCCVEGCSA-N 1 0 324.377 3.310 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC001217933269 1094520239 /nfs/dbraw/zinc/52/02/39/1094520239.db2.gz IWZNWGYDNIIJPM-BJOOFOGMSA-N 1 0 312.369 3.263 20 5 DGBDRO O=[N+]([O-])c1c(O[C@H]2CCC[NH2+]C[C@@H]2F)ccc2ccccc21 ZINC001217945437 1094525064 /nfs/dbraw/zinc/52/50/64/1094525064.db2.gz DECVVEKJUUMWJN-KBPBESRZSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C[C@H]2F)ccc1C(F)(F)F ZINC001217950146 1094526335 /nfs/dbraw/zinc/52/63/35/1094526335.db2.gz XYFUTQLCDKBGTE-PWSUYJOCSA-N 1 0 322.258 3.083 20 5 DGBDRO F[C@@H]1C[NH2+]CCC[C@@H]1Oc1cccc2nc3ccccc3nc21 ZINC001217949233 1094526588 /nfs/dbraw/zinc/52/65/88/1094526588.db2.gz NBOWJIDYWCJMOS-WBMJQRKESA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CCC[NH2+]C[C@@H]2F)c(Cl)c1 ZINC001217953631 1094528933 /nfs/dbraw/zinc/52/89/33/1094528933.db2.gz YRGKNRUKSADGKI-QWRGUYRKSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC001217969838 1094535347 /nfs/dbraw/zinc/53/53/47/1094535347.db2.gz DFTKIHMZZJIPGK-VIFPVBQESA-N 1 0 305.161 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCCC[NH2+]C2)ccc1C(F)(F)F ZINC001217970754 1094535384 /nfs/dbraw/zinc/53/53/84/1094535384.db2.gz ICALCILMLCLLHH-SNVBAGLBSA-N 1 0 304.268 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC[C@H]2F)ccc1C(F)(F)F ZINC001217974185 1094536829 /nfs/dbraw/zinc/53/68/29/1094536829.db2.gz CWNSUIMTRUJJCW-PWSUYJOCSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001217976944 1094537895 /nfs/dbraw/zinc/53/78/95/1094537895.db2.gz YWZSPWXCGGCXFH-NSHDSACASA-N 1 0 304.268 3.135 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001217985522 1094543561 /nfs/dbraw/zinc/54/35/61/1094543561.db2.gz GKLICRPRUBPBJZ-UFBFGSQYSA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001217989462 1094545454 /nfs/dbraw/zinc/54/54/54/1094545454.db2.gz MHAWVYUJTIUJEB-CABZTGNLSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001217990767 1094546577 /nfs/dbraw/zinc/54/65/77/1094546577.db2.gz WBSNYOWOKPOBKQ-SKDRFNHKSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1CCC[NH2+]CC1 ZINC001217997291 1094549443 /nfs/dbraw/zinc/54/94/43/1094549443.db2.gz SIUGMYAKWUUMCM-VIFPVBQESA-N 1 0 305.161 3.423 20 5 DGBDRO C[C@@H](Oc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001218002653 1094552279 /nfs/dbraw/zinc/55/22/79/1094552279.db2.gz RMDAZHTWOPWIFY-SECBINFHSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]CC[C@@H]2F)cc1C(F)(F)F ZINC001218014734 1094561039 /nfs/dbraw/zinc/56/10/39/1094561039.db2.gz YRABURHCMWYMAP-JQWIXIFHSA-N 1 0 322.258 3.083 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001218027087 1094567174 /nfs/dbraw/zinc/56/71/74/1094567174.db2.gz MMIORJSRHQEZGG-BXKDBHETSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3CC[NH2+]C[C@@H]3F)c2)c1 ZINC001218069327 1094585792 /nfs/dbraw/zinc/58/57/92/1094585792.db2.gz IAGIYZFJOWNXAU-DLBZAZTESA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2CC[NH2+]C[C@H]2F)cc1 ZINC001218074466 1094588736 /nfs/dbraw/zinc/58/87/36/1094588736.db2.gz ZYYVHUFGHSENFM-NVXWUHKLSA-N 1 0 316.332 3.341 20 5 DGBDRO Cc1cc(O[C@@H]2CCC23CC[NH2+]CC3)c(C)c(C)c1[N+](=O)[O-] ZINC001218080628 1094590582 /nfs/dbraw/zinc/59/05/82/1094590582.db2.gz JXCKMOMSPDXNFW-OAHLLOKOSA-N 1 0 304.390 3.431 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[C@]23CC[NH2+]C3)c(Cl)cc1F ZINC001218092277 1094596332 /nfs/dbraw/zinc/59/63/32/1094596332.db2.gz QTZAISATCCXLDA-UONOGXRCSA-N 1 0 314.744 3.298 20 5 DGBDRO Cc1cc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Cl ZINC001218097281 1094601577 /nfs/dbraw/zinc/60/15/77/1094601577.db2.gz SLOGFEYIJBRYKU-GJZGRUSLSA-N 1 0 310.781 3.468 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3C[C@H]4C[C@@H]3C[NH2+]4)cc2)c1 ZINC001218112104 1094610333 /nfs/dbraw/zinc/61/03/33/1094610333.db2.gz LJAULTARUDOEAU-IIDMSEBBSA-N 1 0 310.353 3.391 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218115940 1094613966 /nfs/dbraw/zinc/61/39/66/1094613966.db2.gz IISDNACPBMXNOA-AAEUAGOBSA-N 1 0 317.172 3.423 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@H]3C[NH2+][C@@H]4CCCO[C@@H]43)cc2c1 ZINC001218167301 1094641163 /nfs/dbraw/zinc/64/11/63/1094641163.db2.gz RYYLEMSCAQPQBK-KPFFTGBYSA-N 1 0 320.392 3.286 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3CCC34C[NH2+]C4)cc2)cc1 ZINC001218238425 1094671510 /nfs/dbraw/zinc/67/15/10/1094671510.db2.gz AJKDNNVOXYTTNM-KRWDZBQOSA-N 1 0 310.353 3.393 20 5 DGBDRO Cc1cc(OC2CC3(C2)CCC[NH2+]C3)c(C)c(C)c1[N+](=O)[O-] ZINC001218256103 1094683427 /nfs/dbraw/zinc/68/34/27/1094683427.db2.gz WQUSXIKBIZSCRX-UHFFFAOYSA-N 1 0 304.390 3.431 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218308235 1094706603 /nfs/dbraw/zinc/70/66/03/1094706603.db2.gz WWTZCMPIJOCHRH-SECBINFHSA-N 1 0 314.744 3.441 20 5 DGBDRO O=c1oc2cc(O[C@H]3C[NH2+]CC[C@H]3F)ccc2c2ccccc12 ZINC001218319117 1094713345 /nfs/dbraw/zinc/71/33/45/1094713345.db2.gz KZZMVHDGGAKVCJ-WBVHZDCISA-N 1 0 313.328 3.025 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1C[NH2+]CC[C@H]1F ZINC001218318761 1094714220 /nfs/dbraw/zinc/71/42/20/1094714220.db2.gz DJLAVPHXGSLXFR-PBHICJAKSA-N 1 0 316.332 3.341 20 5 DGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[NH2+][C@H]2C)c1Cl ZINC001218383724 1094741956 /nfs/dbraw/zinc/74/19/56/1094741956.db2.gz HFCGZZKRLPXZHO-QUBYGPBYSA-N 1 0 305.161 3.203 20 5 DGBDRO c1ccc2c(c1)ccc1c2ccnc1OCCO[C@@H]1CC[NH2+]C1 ZINC001218393808 1094747504 /nfs/dbraw/zinc/74/75/04/1094747504.db2.gz MNWYXNPVSUOWPK-OAHLLOKOSA-N 1 0 308.381 3.145 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218404973 1094756352 /nfs/dbraw/zinc/75/63/52/1094756352.db2.gz QCVGOAINGFRMRF-LLVKDONJSA-N 1 0 317.172 3.423 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)ccc21 ZINC001218458564 1094787171 /nfs/dbraw/zinc/78/71/71/1094787171.db2.gz BUFDKDOYMYTLQH-BJOOFOGMSA-N 1 0 321.376 3.323 20 5 DGBDRO c1ccc2nc3cc(O[C@@H]4CC[C@H]5C[NH2+]C[C@@H]54)ccc3nc2c1 ZINC001218458562 1094787412 /nfs/dbraw/zinc/78/74/12/1094787412.db2.gz BUCIXVWQKSZGEO-PTAUBWNISA-N 1 0 305.381 3.160 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)cc1Cl ZINC001218474287 1094797263 /nfs/dbraw/zinc/79/72/63/1094797263.db2.gz UPYNVRDJJSMQLI-YVZVNANGSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(F)c1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218489077 1094814727 /nfs/dbraw/zinc/81/47/27/1094814727.db2.gz ZZDMDWDIBNKMMZ-ZDUSSCGKSA-N 1 0 306.268 3.096 20 5 DGBDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979048 1094917361 /nfs/dbraw/zinc/91/73/61/1094917361.db2.gz HFXAXNRFTYKSRF-GXTWGEPZSA-N 1 0 320.396 3.110 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001337477348 1094990313 /nfs/dbraw/zinc/99/03/13/1094990313.db2.gz POUGKJWWCLUAHD-LLVKDONJSA-N 1 0 310.354 3.035 20 5 DGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000313038174 1094994824 /nfs/dbraw/zinc/99/48/24/1094994824.db2.gz ZZSXHAWPQUUYIU-GFCCVEGCSA-N 1 0 302.733 3.154 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001337516002 1095006269 /nfs/dbraw/zinc/00/62/69/1095006269.db2.gz YITRWBMYEKBGDP-NSHDSACASA-N 1 0 305.382 3.003 20 5 DGBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC001337585947 1095028917 /nfs/dbraw/zinc/02/89/17/1095028917.db2.gz NQFVKRCBWXZBMW-ZDUSSCGKSA-N 1 0 315.373 3.061 20 5 DGBDRO CC[C@H](CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)[NH+]1CCCC1 ZINC001337805599 1095101164 /nfs/dbraw/zinc/10/11/64/1095101164.db2.gz DVJBIOGVWQFDLS-CQSZACIVSA-N 1 0 305.378 3.084 20 5 DGBDRO C[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001337914511 1095137885 /nfs/dbraw/zinc/13/78/85/1095137885.db2.gz MWVSSVSIAFFFTD-CHWSQXEVSA-N 1 0 318.421 3.242 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001338211322 1095222875 /nfs/dbraw/zinc/22/28/75/1095222875.db2.gz BSVBOQMEZXTBAE-JTQLQIEISA-N 1 0 301.337 3.405 20 5 DGBDRO C[NH+]1CCC(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC001222509999 1095645183 /nfs/dbraw/zinc/64/51/83/1095645183.db2.gz WRSYJSVLPKQZNJ-ZDUSSCGKSA-N 1 0 318.295 3.309 20 5 DGBDRO COc1ccc(COC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001223647972 1096026416 /nfs/dbraw/zinc/02/64/16/1096026416.db2.gz GQCYHZYIHIWWIH-UHFFFAOYSA-N 1 0 322.405 3.383 20 5 DGBDRO C[C@H](NC(=O)[C@H]([NH3+])C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001340992822 1096088605 /nfs/dbraw/zinc/08/86/05/1096088605.db2.gz YBKOEMORNPAWSJ-BLLLJJGKSA-N 1 0 319.405 3.070 20 5 DGBDRO C[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CCC1(C)C ZINC001118991839 1096118498 /nfs/dbraw/zinc/11/84/98/1096118498.db2.gz PXSZPRUZAWSTCQ-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@H](C[N+](C)(C)C)OCc1ccccc1C(=O)OC(C)(C)C ZINC001224189442 1096156454 /nfs/dbraw/zinc/15/64/54/1096156454.db2.gz JFTXSXMTHRTMMC-CQSZACIVSA-N 1 0 308.442 3.253 20 5 DGBDRO CC(C)CCOC(=O)[C@H](OCCC[N+](C)(C)C)c1ccccc1 ZINC001224622543 1096248953 /nfs/dbraw/zinc/24/89/53/1096248953.db2.gz IAJZBKRJPSQKIL-GOSISDBHSA-N 1 0 322.469 3.430 20 5 DGBDRO C[N@@H+]1CCC[C@H]1CO[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001224830001 1096297125 /nfs/dbraw/zinc/29/71/25/1096297125.db2.gz LGSXQOYNORPOGN-STQMWFEESA-N 1 0 318.295 3.309 20 5 DGBDRO Cc1cc(Cl)c(-n2cc3ccc(C[NH3+])cc3n2)c([N+](=O)[O-])c1 ZINC001171326541 1096335538 /nfs/dbraw/zinc/33/55/38/1096335538.db2.gz ABVBKJRFFTUXMG-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001225577031 1096471625 /nfs/dbraw/zinc/47/16/25/1096471625.db2.gz DXFREMCCRYVNES-UHFFFAOYSA-N 1 0 317.320 3.177 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC001225593215 1096476171 /nfs/dbraw/zinc/47/61/71/1096476171.db2.gz LSACMGNERXXKCP-HNNXBMFYSA-N 1 0 301.346 3.062 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001225629110 1096488780 /nfs/dbraw/zinc/48/87/80/1096488780.db2.gz UIKHXZHVRORFQV-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO Cc1cc(O[C@H](CC[NH+](C)C)c2ccccc2)ncc1[N+](=O)[O-] ZINC001225664216 1096498404 /nfs/dbraw/zinc/49/84/04/1096498404.db2.gz YFXQKVCDMMURDU-MRXNPFEDSA-N 1 0 315.373 3.370 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2ccc(Br)cc21 ZINC001225751402 1096520158 /nfs/dbraw/zinc/52/01/58/1096520158.db2.gz BRCJYAQAEYANRC-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)cc(Br)cc1F ZINC001225874750 1096550784 /nfs/dbraw/zinc/55/07/84/1096550784.db2.gz XUJWUXOXJHHEAS-QMMMGPOBSA-N 1 0 309.174 3.201 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH+]3CCC2CC3)cc1C(F)(F)F ZINC001225916848 1096563717 /nfs/dbraw/zinc/56/37/17/1096563717.db2.gz BMBMSRWEHFXNCM-ZDUSSCGKSA-N 1 0 316.279 3.087 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001225919071 1096564221 /nfs/dbraw/zinc/56/42/21/1096564221.db2.gz OTVDSIGAEGXTDT-SNVBAGLBSA-N 1 0 318.295 3.477 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225918974 1096564333 /nfs/dbraw/zinc/56/43/33/1096564333.db2.gz NNQNSXXXCLQUAK-JTQLQIEISA-N 1 0 304.268 3.087 20 5 DGBDRO CCc1ccc(O[C@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001226050749 1096598451 /nfs/dbraw/zinc/59/84/51/1096598451.db2.gz NYAZHIBLLORSPR-LLVKDONJSA-N 1 0 301.248 3.485 20 5 DGBDRO Cc1ccnc(O[C@H](CC[NH+](C)C)c2ccccc2)c1[N+](=O)[O-] ZINC001226120098 1096617678 /nfs/dbraw/zinc/61/76/78/1096617678.db2.gz RVKIKNWEGKUWKM-OAHLLOKOSA-N 1 0 315.373 3.370 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(OC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001226265508 1096649248 /nfs/dbraw/zinc/64/92/48/1096649248.db2.gz JOXUUIBZCCJPQF-UHFFFAOYSA-N 1 0 317.320 3.177 20 5 DGBDRO COc1cc(Br)cc(C)c1O[C@H](C)C[N+](C)(C)C ZINC001226595974 1096731378 /nfs/dbraw/zinc/73/13/78/1096731378.db2.gz NCMJXUIJAYFGCT-LLVKDONJSA-N 1 0 317.247 3.240 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2cc(Cl)c([N+](=O)[O-])cn2)CC1 ZINC001226914920 1096814718 /nfs/dbraw/zinc/81/47/18/1096814718.db2.gz AXLYSQADFOWRDL-UHFFFAOYSA-N 1 0 313.785 3.285 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227154378 1096881645 /nfs/dbraw/zinc/88/16/45/1096881645.db2.gz QQIAMCDENUEEHT-SECBINFHSA-N 1 0 302.733 3.249 20 5 DGBDRO COc1c(Br)ccc(F)c1O[C@H](C)C[N+](C)(C)C ZINC001227391512 1096924587 /nfs/dbraw/zinc/92/45/87/1096924587.db2.gz XHQQIZRCMNSQNX-SECBINFHSA-N 1 0 321.210 3.070 20 5 DGBDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC001227484566 1096939472 /nfs/dbraw/zinc/93/94/72/1096939472.db2.gz RSKXDQWQTVMQQH-ZIAGYGMSSA-N 1 0 313.357 3.204 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(Br)cccc2n1 ZINC001227695121 1096970974 /nfs/dbraw/zinc/97/09/74/1096970974.db2.gz LPGMGDFOXNWTPR-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO CN1CCO[C@@H](COc2cccc3ccc4cccnc4c32)C1 ZINC001227763893 1096984098 /nfs/dbraw/zinc/98/40/98/1096984098.db2.gz HTYJPVODHFTJAZ-MRXNPFEDSA-N 1 0 308.381 3.097 20 5 DGBDRO CO[C@@H]1CC[N@H+](CCOc2cccc3ccc4cccnc4c32)C1 ZINC001227764471 1096984130 /nfs/dbraw/zinc/98/41/30/1096984130.db2.gz OAKFBVXZZUWFCM-QGZVFWFLSA-N 1 0 322.408 3.488 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2ccc(Br)cc2c1 ZINC001228083398 1097047675 /nfs/dbraw/zinc/04/76/75/1097047675.db2.gz CAFBINJLVROHIJ-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)ccc1C(=O)c1ccccc1 ZINC001228185191 1097070136 /nfs/dbraw/zinc/07/01/36/1097070136.db2.gz GIARERDULSAQQO-CQSZACIVSA-O 1 0 314.405 3.097 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cc2ccc(O)cc2)cc1 ZINC001228193938 1097071291 /nfs/dbraw/zinc/07/12/91/1097071291.db2.gz CPWSPXVKOQYHFV-HNNXBMFYSA-O 1 0 300.422 3.457 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001228206688 1097073734 /nfs/dbraw/zinc/07/37/34/1097073734.db2.gz YQEULTHPVAJZND-MRVPVSSYSA-N 1 0 308.185 3.375 20 5 DGBDRO C[NH+](C)C1CCC(Oc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC001228210751 1097074173 /nfs/dbraw/zinc/07/41/73/1097074173.db2.gz JPASSAJXXKGGFE-UHFFFAOYSA-N 1 0 321.402 3.456 20 5 DGBDRO CC(=O)c1cccc(OC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001229139177 1097262520 /nfs/dbraw/zinc/26/25/20/1097262520.db2.gz VHEQMYUPVNPIFC-UHFFFAOYSA-N 1 0 320.389 3.439 20 5 DGBDRO C[C@@]1(O)CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172896992 1097266240 /nfs/dbraw/zinc/26/62/40/1097266240.db2.gz VRWBNQXFGZZYLS-XYJFISCASA-N 1 0 318.417 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCCCO1)CC2 ZINC001172899016 1097267222 /nfs/dbraw/zinc/26/72/22/1097267222.db2.gz KMBPSWCHVLQFJC-WBVHZDCISA-N 1 0 304.390 3.001 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCCCO1)CC2 ZINC001172899013 1097267745 /nfs/dbraw/zinc/26/77/45/1097267745.db2.gz KMBPSWCHVLQFJC-NVXWUHKLSA-N 1 0 304.390 3.001 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(O)cc1)CC2 ZINC001172900622 1097268052 /nfs/dbraw/zinc/26/80/52/1097268052.db2.gz WWZFHCZGWDJUHJ-MRXNPFEDSA-N 1 0 312.369 3.338 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H]3C[C@@H]3[C@@H](F)C1)CC2 ZINC001172902418 1097268057 /nfs/dbraw/zinc/26/80/57/1097268057.db2.gz BGXXFDSNVBRFMJ-OTRWWLKZSA-N 1 0 304.365 3.132 20 5 DGBDRO C[C@]1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCOC1 ZINC001172907102 1097269141 /nfs/dbraw/zinc/26/91/41/1097269141.db2.gz CXEYDZIUFCKOEX-WBVHZDCISA-N 1 0 304.390 3.001 20 5 DGBDRO Cc1cccnc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895936 1097278293 /nfs/dbraw/zinc/27/82/93/1097278293.db2.gz JUIBHZUDPDQTHU-INIZCTEOSA-N 1 0 311.385 3.335 20 5 DGBDRO CC(C)O[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912067 1097292420 /nfs/dbraw/zinc/29/24/20/1097292420.db2.gz IKNWHYQPVNUKHL-SJLPKXTDSA-N 1 0 318.417 3.342 20 5 DGBDRO C[C@@]1(O)CCCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172910439 1097292481 /nfs/dbraw/zinc/29/24/81/1097292481.db2.gz ZYQWGDSSSYNTMF-FUHWJXTLSA-N 1 0 318.417 3.079 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC13CCOCC3)CC2 ZINC001172913247 1097293153 /nfs/dbraw/zinc/29/31/53/1097293153.db2.gz UZVMCVIBDJYRBD-NVXWUHKLSA-N 1 0 316.401 3.001 20 5 DGBDRO COC(=O)c1cc(Cl)cc(Cl)c1O[C@H](C)C[N+](C)(C)C ZINC001229374875 1097308670 /nfs/dbraw/zinc/30/86/70/1097308670.db2.gz UHYPSABMUPXDHJ-SECBINFHSA-N 1 0 321.224 3.254 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)cc(F)c1Br ZINC001229594063 1097350606 /nfs/dbraw/zinc/35/06/06/1097350606.db2.gz NCSVGWQKZVIXIR-QMMMGPOBSA-N 1 0 309.174 3.201 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCSC)c1F ZINC001173175321 1097356387 /nfs/dbraw/zinc/35/63/87/1097356387.db2.gz AEMQKPVPSULPKJ-JTQLQIEISA-N 1 0 316.398 3.016 20 5 DGBDRO CC(C)OCCOCc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001229649243 1097358976 /nfs/dbraw/zinc/35/89/76/1097358976.db2.gz FADMVBIYGBJZBS-INIZCTEOSA-N 1 0 310.458 3.102 20 5 DGBDRO C[NH+](C)Cc1ccccc1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001229698535 1097367513 /nfs/dbraw/zinc/36/75/13/1097367513.db2.gz CQNACLYJCZYVQE-QGZVFWFLSA-N 1 0 312.369 3.203 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COc2ccccc2C1 ZINC001173217579 1097368282 /nfs/dbraw/zinc/36/82/82/1097368282.db2.gz WEZCTGRESHDREP-CJNGLKHVSA-N 1 0 312.369 3.119 20 5 DGBDRO COCc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173219357 1097370132 /nfs/dbraw/zinc/37/01/32/1097370132.db2.gz BLLOITATYFDOCF-AWEZNQCLSA-N 1 0 314.385 3.462 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C2CCOCC2)CC1 ZINC001173218910 1097370528 /nfs/dbraw/zinc/37/05/28/1097370528.db2.gz SXLFKXZTGXYKQR-CYBMUJFWSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)C[C@]1(C)CO ZINC001173221046 1097372114 /nfs/dbraw/zinc/37/21/14/1097372114.db2.gz FNCOXDVTQVTBHQ-CXAGYDPISA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222100 1097373102 /nfs/dbraw/zinc/37/31/02/1097373102.db2.gz UADJIEPYFNFULA-UONOGXRCSA-N 1 0 314.385 3.452 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(CC[NH3+])c1ccc(F)cc1 ZINC001173222992 1097373113 /nfs/dbraw/zinc/37/31/13/1097373113.db2.gz GKIJWEKLIIOYNA-CYBMUJFWSA-N 1 0 317.364 3.130 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001173223020 1097373144 /nfs/dbraw/zinc/37/31/44/1097373144.db2.gz WJYUYZJAZVRIIZ-UKPHBRMFSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001173225125 1097374319 /nfs/dbraw/zinc/37/43/19/1097374319.db2.gz BNFOUQWFDCBPKE-GDBMZVCRSA-N 1 0 311.385 3.410 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001173225501 1097374897 /nfs/dbraw/zinc/37/48/97/1097374897.db2.gz KDLZRYLCHMEJAV-XYPHTWIQSA-N 1 0 316.401 3.359 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc(O)c1 ZINC001173229372 1097376131 /nfs/dbraw/zinc/37/61/31/1097376131.db2.gz TWGFIDLKMOQJCM-ZDUSSCGKSA-N 1 0 300.358 3.363 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1Cc2ccc(F)cc2C1 ZINC001173228811 1097376457 /nfs/dbraw/zinc/37/64/57/1097376457.db2.gz KMKSHUAHVKJKCH-PXAZEXFGSA-N 1 0 314.360 3.422 20 5 DGBDRO Cc1nc2ccccn2c1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230695 1097377123 /nfs/dbraw/zinc/37/71/23/1097377123.db2.gz ZLINLQKWSMAFMK-ZDUSSCGKSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)C1CCCCC1 ZINC001173233034 1097377426 /nfs/dbraw/zinc/37/74/26/1097377426.db2.gz GTUYBCZDJFMVIA-CXAGYDPISA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccccc2C1=O ZINC001173230553 1097377850 /nfs/dbraw/zinc/37/78/50/1097377850.db2.gz RXFBYNVERWYKHC-UGSOOPFHSA-N 1 0 324.380 3.313 20 5 DGBDRO CCC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001173233836 1097378050 /nfs/dbraw/zinc/37/80/50/1097378050.db2.gz ZOPXPYBAUKNYBF-AWEZNQCLSA-N 1 0 306.406 3.417 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001173235461 1097378068 /nfs/dbraw/zinc/37/80/68/1097378068.db2.gz XKOAFSMGKRPELD-PBHICJAKSA-N 1 0 318.417 3.274 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@](C)(O)c1ccccc1 ZINC001173208693 1097380889 /nfs/dbraw/zinc/38/08/89/1097380889.db2.gz AOOLUVBQILQBEC-KDOFPFPSSA-N 1 0 314.385 3.023 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1nc(CC[NH3+])c2ccccc21 ZINC001173236274 1097381406 /nfs/dbraw/zinc/38/14/06/1097381406.db2.gz ZOEHRAFEKCTSRV-ZDUSSCGKSA-N 1 0 324.384 3.249 20 5 DGBDRO Cc1cc(C)c(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC001173210648 1097381575 /nfs/dbraw/zinc/38/15/75/1097381575.db2.gz MGZQFBXNOWLLIZ-GFCCVEGCSA-N 1 0 315.373 3.033 20 5 DGBDRO COC(=O)c1ccc2sccc2c1O[C@H](C)C[N+](C)(C)C ZINC001230074415 1097442500 /nfs/dbraw/zinc/44/25/00/1097442500.db2.gz UOJOEECYPCTPOB-LLVKDONJSA-N 1 0 308.423 3.161 20 5 DGBDRO COC(=O)C[C@@H](c1cccc(O[C@@H](C)C[N+](C)(C)C)c1)C1CC1 ZINC001230987974 1097638562 /nfs/dbraw/zinc/63/85/62/1097638562.db2.gz BHFMHNWIAQNXBZ-KBXCAEBGSA-N 1 0 320.453 3.217 20 5 DGBDRO Cc1cc(F)c(O[C@@H](C)C[N+](C)(C)C)cc1Br ZINC001231003208 1097640818 /nfs/dbraw/zinc/64/08/18/1097640818.db2.gz GVWPSULTTHCSLV-JTQLQIEISA-N 1 0 305.211 3.370 20 5 DGBDRO COC(=O)C[C@H](c1cccc(O[C@@H](C)C[N+](C)(C)C)c1)C(C)C ZINC001230998840 1097641642 /nfs/dbraw/zinc/64/16/42/1097641642.db2.gz GFLKGZCYEORIIF-YJBOKZPZSA-N 1 0 322.469 3.463 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cnc3c(cccc3[N+](=O)[O-])c1)C2 ZINC001231157598 1097684295 /nfs/dbraw/zinc/68/42/95/1097684295.db2.gz FYJOEMVUVUPPHS-BTTYYORXSA-N 1 0 313.357 3.147 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCCO1 ZINC001232219117 1097971466 /nfs/dbraw/zinc/97/14/66/1097971466.db2.gz RSHGCDHBKRJNKF-AWEZNQCLSA-N 1 0 307.397 3.394 20 5 DGBDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219101 1097971945 /nfs/dbraw/zinc/97/19/45/1097971945.db2.gz RAMWDXBCSNSERU-KRWDZBQOSA-N 1 0 307.397 3.394 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@]1(C)O ZINC001232218844 1097972012 /nfs/dbraw/zinc/97/20/12/1097972012.db2.gz MJBVIOMKKTYFJW-XOBRGWDASA-N 1 0 321.424 3.376 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC001233598832 1098385776 /nfs/dbraw/zinc/38/57/76/1098385776.db2.gz GJNUPVMNOIQJBA-MGCOHNPYSA-N 1 0 300.305 3.125 20 5 DGBDRO C[NH+](C)C1CCC(Oc2c(F)cc(F)cc2[N+](=O)[O-])CC1 ZINC001233699470 1098411400 /nfs/dbraw/zinc/41/14/00/1098411400.db2.gz PTHUDWZXSATWHD-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233835637 1098439576 /nfs/dbraw/zinc/43/95/76/1098439576.db2.gz AOUSEXNCLOMVCB-ZDUSSCGKSA-N 1 0 301.346 3.005 20 5 DGBDRO CCCCCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001233978040 1098470702 /nfs/dbraw/zinc/47/07/02/1098470702.db2.gz OMYATRICPVALOF-UHFFFAOYSA-N 1 0 321.421 3.113 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cncc(OCc2ccccc2)c1 ZINC001234294549 1098531246 /nfs/dbraw/zinc/53/12/46/1098531246.db2.gz RIDKQUYZXCHTAE-HNNXBMFYSA-N 1 0 301.410 3.134 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001234365698 1098543844 /nfs/dbraw/zinc/54/38/44/1098543844.db2.gz JLIOZKPMNFWKFS-CQSZACIVSA-O 1 0 323.457 3.185 20 5 DGBDRO C[N@@H+]1CCc2c(cccc2O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001234420281 1098551964 /nfs/dbraw/zinc/55/19/64/1098551964.db2.gz PGRPQWZINDZEHT-KRWDZBQOSA-N 1 0 324.380 3.129 20 5 DGBDRO CC(=O)c1ccc(Br)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234598230 1098615031 /nfs/dbraw/zinc/61/50/31/1098615031.db2.gz GOAKMDBOGPXCQJ-SNVBAGLBSA-N 1 0 315.231 3.125 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC001179044402 1099000672 /nfs/dbraw/zinc/00/06/72/1099000672.db2.gz DAZUVTYVRIGMFW-CTYIDZIISA-N 1 0 322.405 3.429 20 5 DGBDRO CCn1cnc(Cl)c1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001179685220 1099163635 /nfs/dbraw/zinc/16/36/35/1099163635.db2.gz HCOSOXPNZWARDB-NSHDSACASA-N 1 0 322.796 3.358 20 5 DGBDRO Cc1c(CN2CC[N@@H+](C)CC23CCCCC3)cccc1[N+](=O)[O-] ZINC001191307731 1100447334 /nfs/dbraw/zinc/44/73/34/1100447334.db2.gz ZNLKHDKOTXNSIB-UHFFFAOYSA-N 1 0 317.433 3.354 20 5 DGBDRO CC[NH+](CC)CCN(Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC001191428344 1100465241 /nfs/dbraw/zinc/46/52/41/1100465241.db2.gz SHVVOEMVKIVTDF-UHFFFAOYSA-N 1 0 307.438 3.395 20 5 DGBDRO O=[N+]([O-])CC[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC001192902478 1100675351 /nfs/dbraw/zinc/67/53/51/1100675351.db2.gz XLANIPACZSYDAU-MRXNPFEDSA-N 1 0 304.777 3.490 20 5 DGBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC001195799831 1101204175 /nfs/dbraw/zinc/20/41/75/1101204175.db2.gz XNAREESZBTUTEJ-AWEZNQCLSA-N 1 0 320.389 3.007 20 5 DGBDRO Cc1ccc(CN2CC[N@H+](C3CCCC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001197808683 1101671741 /nfs/dbraw/zinc/67/17/41/1101671741.db2.gz JHCTXMUYOHROHD-HNNXBMFYSA-N 1 0 317.433 3.352 20 5 DGBDRO CCCCC1([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001198555540 1101919460 /nfs/dbraw/zinc/91/94/60/1101919460.db2.gz ZXFJPPKIAHFOIB-GFCCVEGCSA-N 1 0 305.378 3.234 20 5 DGBDRO CO[C@H](C)C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000688081139 1103195198 /nfs/dbraw/zinc/19/51/98/1103195198.db2.gz GQDHJDJAGRAADN-LLVKDONJSA-N 1 0 300.786 3.494 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C(C)(C)C)CC1 ZINC001326160395 1103218475 /nfs/dbraw/zinc/21/84/75/1103218475.db2.gz BIJHKRLLLSRMOI-QINSGFPZSA-N 1 0 317.433 3.414 20 5 DGBDRO Cc1ncc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC001329364084 1104231520 /nfs/dbraw/zinc/23/15/20/1104231520.db2.gz PEZZGFAVVSODQU-VIFPVBQESA-N 1 0 309.366 3.220 20 5 DGBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001329867448 1104402752 /nfs/dbraw/zinc/40/27/52/1104402752.db2.gz POGHKCULBSKGQU-BBRMVZONSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001246609711 1104624559 /nfs/dbraw/zinc/62/45/59/1104624559.db2.gz JFPYAMXIXPRMCM-OAHLLOKOSA-N 1 0 317.433 3.134 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](CCN(C)C)CC(C)C ZINC001462207452 1105362252 /nfs/dbraw/zinc/36/22/52/1105362252.db2.gz RZLQNSRIXLULRB-UHFFFAOYSA-N 1 0 307.438 3.231 20 5 DGBDRO C[NH+](C)Cc1ccc2[nH]c(-c3csc([N+](=O)[O-])c3)nc2c1 ZINC001250928380 1105605884 /nfs/dbraw/zinc/60/58/84/1105605884.db2.gz NYOKTKUVIGIMQH-UHFFFAOYSA-N 1 0 302.359 3.261 20 5 DGBDRO CC(C)(C)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC001251716890 1105685891 /nfs/dbraw/zinc/68/58/91/1105685891.db2.gz KGVPSMGXZGIDOX-UHFFFAOYSA-N 1 0 320.418 3.125 20 5 DGBDRO C[C@H](O)CNc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001251967964 1105716354 /nfs/dbraw/zinc/71/63/54/1105716354.db2.gz LHFFHADHIJTPPP-NSHDSACASA-N 1 0 319.364 3.358 20 5 DGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001252286082 1105762446 /nfs/dbraw/zinc/76/24/46/1105762446.db2.gz BYIBKMSXFNKEEK-CHWSQXEVSA-N 1 0 310.419 3.190 20 5 DGBDRO CC(C)([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001254465154 1106077023 /nfs/dbraw/zinc/07/70/23/1106077023.db2.gz QXAHSVFPBZMOFJ-UHFFFAOYSA-N 1 0 303.406 3.342 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCC4(CC4)CC3)CC2)cc1 ZINC001254473522 1106078336 /nfs/dbraw/zinc/07/83/36/1106078336.db2.gz DMJRIKMDZJNHLH-UHFFFAOYSA-N 1 0 315.417 3.440 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+](CC3CC3)C3CC3)CC2)cc1 ZINC001254480724 1106079244 /nfs/dbraw/zinc/07/92/44/1106079244.db2.gz MIHKPSHOOLUBJX-UHFFFAOYSA-N 1 0 315.417 3.438 20 5 DGBDRO COC(=O)CCCCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254532915 1106096708 /nfs/dbraw/zinc/09/67/08/1106096708.db2.gz SSNFKNIRYPUGHO-CQSZACIVSA-N 1 0 322.405 3.239 20 5 DGBDRO Cc1cccn2c(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])cnc12 ZINC001254533185 1106097409 /nfs/dbraw/zinc/09/74/09/1106097409.db2.gz XSFHXGYRZZNDFH-AWEZNQCLSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C2CCOCC2)CC1 ZINC001254538008 1106097953 /nfs/dbraw/zinc/09/79/53/1106097953.db2.gz MFCHLIURRGMYAH-ZDUSSCGKSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@H](CN1CCC(C)CC1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539706 1106099187 /nfs/dbraw/zinc/09/91/87/1106099187.db2.gz JYPVKKMODIBAAP-JKSUJKDBSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(C2CCC2)cn1 ZINC001254544560 1106099636 /nfs/dbraw/zinc/09/96/36/1106099636.db2.gz JYCNXCLRVGCEJS-ZDUSSCGKSA-N 1 0 314.389 3.237 20 5 DGBDRO CC(C)Cn1cnc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254545415 1106100453 /nfs/dbraw/zinc/10/04/53/1106100453.db2.gz NTDYMFMCUONILU-AWEZNQCLSA-N 1 0 316.405 3.168 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(C[C@H]2CCO)CC1 ZINC001254551798 1106101673 /nfs/dbraw/zinc/10/16/73/1106101673.db2.gz FVDOOMXMZROPKT-GOEBONIOSA-N 1 0 318.417 3.010 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(CO)CC1 ZINC001254553745 1106102587 /nfs/dbraw/zinc/10/25/87/1106102587.db2.gz YISFSOLXPMRKKV-RHSMWYFYSA-N 1 0 306.406 3.010 20 5 DGBDRO CO[C@H]1CCC[C@@H]2C[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254556407 1106103547 /nfs/dbraw/zinc/10/35/47/1106103547.db2.gz KVTXMSILOWPRIY-DNMXQMFDSA-N 1 0 318.417 3.273 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001254562619 1106103843 /nfs/dbraw/zinc/10/38/43/1106103843.db2.gz ODXAFRCICYBSHR-YOEHRIQHSA-N 1 0 311.385 3.410 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001254563652 1106103885 /nfs/dbraw/zinc/10/38/85/1106103885.db2.gz AIRFCYVKXVRPHU-AAEUAGOBSA-N 1 0 310.394 3.055 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001254563824 1106104016 /nfs/dbraw/zinc/10/40/16/1106104016.db2.gz DLNPKGLMOJHLND-YOEHRIQHSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001254560075 1106104205 /nfs/dbraw/zinc/10/42/05/1106104205.db2.gz OXYVSHOTFJAOJI-NVXWUHKLSA-N 1 0 317.433 3.086 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001254563653 1106104236 /nfs/dbraw/zinc/10/42/36/1106104236.db2.gz AIRFCYVKXVRPHU-DGCLKSJQSA-N 1 0 310.394 3.055 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001254562604 1106104372 /nfs/dbraw/zinc/10/43/72/1106104372.db2.gz NZXDGRSETRUMBH-CXAGYDPISA-N 1 0 312.373 3.153 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001254562605 1106104419 /nfs/dbraw/zinc/10/44/19/1106104419.db2.gz NZXDGRSETRUMBH-DYVFJYSZSA-N 1 0 312.373 3.153 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001254565454 1106105330 /nfs/dbraw/zinc/10/53/30/1106105330.db2.gz PGDOJBARRZUSHX-HIFRSBDPSA-N 1 0 322.380 3.119 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC001254572043 1106106962 /nfs/dbraw/zinc/10/69/62/1106106962.db2.gz GVQAGSMPINFRTP-OAHLLOKOSA-N 1 0 300.333 3.299 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](CF)c1ccccc1)C2 ZINC001254576610 1106107575 /nfs/dbraw/zinc/10/75/75/1106107575.db2.gz YURIJVQFBNDTNZ-DOTOQJQBSA-N 1 0 300.333 3.362 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(F)c1 ZINC001254576254 1106107644 /nfs/dbraw/zinc/10/76/44/1106107644.db2.gz VFLSGOVAVSQBKX-HNNXBMFYSA-N 1 0 300.333 3.299 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(c3ccc(F)cc3)CC1)C2 ZINC001254581151 1106108220 /nfs/dbraw/zinc/10/82/20/1106108220.db2.gz LHNSAZQVTMRJAU-INIZCTEOSA-N 1 0 312.344 3.480 20 5 DGBDRO [NH3+]Cc1cccc2ccn([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)c21 ZINC001254583601 1106108319 /nfs/dbraw/zinc/10/83/19/1106108319.db2.gz ZUFBPWVYLRBMHB-QGZVFWFLSA-N 1 0 307.353 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3ccccc3n1)C2 ZINC001254580536 1106108478 /nfs/dbraw/zinc/10/84/78/1106108478.db2.gz DQURBBILZWLPGL-QGZVFWFLSA-N 1 0 319.364 3.400 20 5 DGBDRO C[C@H](COc1ccccc1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580330 1106108498 /nfs/dbraw/zinc/10/84/98/1106108498.db2.gz FHCKARJKCNYLQA-CJNGLKHVSA-N 1 0 312.369 3.119 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCc3ccccc31)C2 ZINC001254586215 1106109172 /nfs/dbraw/zinc/10/91/72/1106109172.db2.gz IMYFPWKITYKRRF-RDJZCZTQSA-N 1 0 308.381 3.382 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1Cc3ccccc3C1)C2 ZINC001254586955 1106109199 /nfs/dbraw/zinc/10/91/99/1106109199.db2.gz ULJPVMLHOLSGLY-GOSISDBHSA-N 1 0 308.381 3.067 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCc3ccncc31)C2 ZINC001254588401 1106109275 /nfs/dbraw/zinc/10/92/75/1106109275.db2.gz FLIKJUGBRBXIJN-QAPCUYQASA-N 1 0 309.369 3.124 20 5 DGBDRO CC1(C)C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254595696 1106109979 /nfs/dbraw/zinc/10/99/79/1106109979.db2.gz YKTVSJWQUWSHDO-AWEZNQCLSA-N 1 0 310.344 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H]1c1ccncc1)C2 ZINC001254599575 1106110568 /nfs/dbraw/zinc/11/05/68/1106110568.db2.gz MUVHCBFZHNOEAA-MSOLQXFVSA-N 1 0 309.369 3.294 20 5 DGBDRO C[N@H+](CCc1ccc(F)cc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602570 1106111743 /nfs/dbraw/zinc/11/17/43/1106111743.db2.gz GLRYRZHBULUIQS-GOSISDBHSA-N 1 0 314.360 3.376 20 5 DGBDRO C[N@H+](CCc1cccc(F)c1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611814 1106113354 /nfs/dbraw/zinc/11/33/54/1106113354.db2.gz TYZVKGZVANBHSK-GOSISDBHSA-N 1 0 314.360 3.376 20 5 DGBDRO CC/C=C/[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256089861 1106367272 /nfs/dbraw/zinc/36/72/72/1106367272.db2.gz KFXMCCVMHOCGOE-RUDMXATFSA-N 1 0 305.378 3.086 20 5 DGBDRO CCC[N@H+](CC)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256094945 1106368629 /nfs/dbraw/zinc/36/86/29/1106368629.db2.gz RJOJAEQGSYCIPW-UHFFFAOYSA-N 1 0 321.421 3.304 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001320951096 1107201265 /nfs/dbraw/zinc/20/12/65/1107201265.db2.gz JICMHJXCRHSUIF-OTMARIDSSA-N 1 0 315.417 3.168 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001321635725 1107398874 /nfs/dbraw/zinc/39/88/74/1107398874.db2.gz GTBUALKMGGUZIT-UKRRQHHQSA-N 1 0 311.813 3.211 20 5 DGBDRO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC001324437584 1108288165 /nfs/dbraw/zinc/28/81/65/1108288165.db2.gz CXHVWIRUIKJGRI-UHFFFAOYSA-N 1 0 304.350 3.265 20 5 DGBDRO CC(C)c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1[N+](=O)[O-] ZINC001324745652 1108450068 /nfs/dbraw/zinc/45/00/68/1108450068.db2.gz DFMOKOKJYPYMLH-MVVMVCHASA-N 1 0 318.417 3.311 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001319822285 1108651907 /nfs/dbraw/zinc/65/19/07/1108651907.db2.gz BARWBLRKMUVPLL-ABAIWWIYSA-N 1 0 310.781 3.249 20 5 DGBDRO CC(C)Oc1nc(N[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001306928623 1111251151 /nfs/dbraw/zinc/25/11/51/1111251151.db2.gz TYZXQZPSGKGKMV-CYBMUJFWSA-N 1 0 322.409 3.063 20 5 DGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001307706764 1111330069 /nfs/dbraw/zinc/33/00/69/1111330069.db2.gz HLKJXTUXAQDQLY-IUODEOHRSA-N 1 0 320.389 3.440 20 5 DGBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC001307777861 1111338253 /nfs/dbraw/zinc/33/82/53/1111338253.db2.gz FEPXWVWAUFSSTJ-UKRRQHHQSA-N 1 0 314.332 3.166 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001307854331 1111346116 /nfs/dbraw/zinc/34/61/16/1111346116.db2.gz YXUHGCPCYQWVOQ-KGLIPLIRSA-N 1 0 320.389 3.296 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)C2CCCCC2)c1 ZINC001307858918 1111347466 /nfs/dbraw/zinc/34/74/66/1111347466.db2.gz DLCMLLSJZHLVRO-LBPRGKRZSA-N 1 0 320.389 3.440 20 5 DGBDRO CC[N@H+]1[C@H](C)CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001307886567 1111350813 /nfs/dbraw/zinc/35/08/13/1111350813.db2.gz BLSIJMCTFCNDRD-TXEJJXNPSA-N 1 0 311.813 3.163 20 5 DGBDRO C[C@](CO)([NH2+]C[C@H]1CC2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC001307999968 1111364413 /nfs/dbraw/zinc/36/44/13/1111364413.db2.gz QANXBBIECLMICV-PPPKJHQXSA-N 1 0 318.417 3.218 20 5 DGBDRO COC(=O)C(C)(C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC001308033710 1111368939 /nfs/dbraw/zinc/36/89/39/1111368939.db2.gz PKCAGGAWZAWCOA-UHFFFAOYSA-N 1 0 322.405 3.252 20 5 DGBDRO C[C@H](C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001308060661 1111372568 /nfs/dbraw/zinc/37/25/68/1111372568.db2.gz ACCDYTPIFUQTGV-GFCCVEGCSA-N 1 0 307.394 3.147 20 5 DGBDRO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001308070551 1111373435 /nfs/dbraw/zinc/37/34/35/1111373435.db2.gz NZLWTWPNEYLVHC-GFCCVEGCSA-N 1 0 314.341 3.232 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](C(C)C)[NH+]1CCCC1 ZINC001308193192 1111394663 /nfs/dbraw/zinc/39/46/63/1111394663.db2.gz AUCKUUHSQVUGOI-GOSISDBHSA-N 1 0 319.449 3.422 20 5 DGBDRO CCOc1cccc(F)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001308254007 1111405594 /nfs/dbraw/zinc/40/55/94/1111405594.db2.gz OUQDNJHWEDCPGN-UHFFFAOYSA-N 1 0 318.348 3.465 20 5 DGBDRO CSCCC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001308276872 1111409322 /nfs/dbraw/zinc/40/93/22/1111409322.db2.gz ZTPODLNVASCKHZ-UHFFFAOYSA-N 1 0 319.224 3.200 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC001308283575 1111410806 /nfs/dbraw/zinc/41/08/06/1111410806.db2.gz ZGDLSIVQNDWAPL-GFCCVEGCSA-N 1 0 302.378 3.303 20 5 DGBDRO COCCSCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000278367215 214121764 /nfs/dbraw/zinc/12/17/64/214121764.db2.gz FWBFZGOBQYRTRN-UHFFFAOYSA-N 1 0 324.446 3.329 20 5 DGBDRO CCn1nc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000307968929 231095301 /nfs/dbraw/zinc/09/53/01/231095301.db2.gz XWGVFSUYAJANLK-UHFFFAOYSA-N 1 0 302.378 3.026 20 5 DGBDRO C[C@@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000309927019 231107836 /nfs/dbraw/zinc/10/78/36/231107836.db2.gz XQALUTNZAQIOQO-UKRRQHHQSA-N 1 0 312.373 3.065 20 5 DGBDRO C[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000314423359 231129872 /nfs/dbraw/zinc/12/98/72/231129872.db2.gz VYVCXAIVHBBJSJ-SECBINFHSA-N 1 0 305.300 3.223 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)c2cccnc21 ZINC000314810691 231135636 /nfs/dbraw/zinc/13/56/36/231135636.db2.gz OURHFGVQPHNXQD-UHFFFAOYSA-N 1 0 300.362 3.041 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@@H+]1C ZINC000316806988 231154170 /nfs/dbraw/zinc/15/41/70/231154170.db2.gz PKSGLUFXEBEDIE-NWDGAFQWSA-N 1 0 300.362 3.038 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C)CC2)cccc1[N+](=O)[O-] ZINC000063309324 432004945 /nfs/dbraw/zinc/00/49/45/432004945.db2.gz RLFQRPUOUGNJJE-ZDUSSCGKSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192793915 282262220 /nfs/dbraw/zinc/26/22/20/282262220.db2.gz XQCWVJWXBVEPEU-KRWDZBQOSA-N 1 0 314.389 3.112 20 5 DGBDRO Cn1cccc1[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208873 432011284 /nfs/dbraw/zinc/01/12/84/432011284.db2.gz VJZOLWVCWQIRJS-QGZVFWFLSA-N 1 0 315.373 3.149 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000413437735 530054998 /nfs/dbraw/zinc/05/49/98/530054998.db2.gz KQSZHMVPBUJDGQ-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000413440927 530055043 /nfs/dbraw/zinc/05/50/43/530055043.db2.gz PCCYZCFWNOXJGZ-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO COCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130040881 432013759 /nfs/dbraw/zinc/01/37/59/432013759.db2.gz NIUHCCQEFBCXTB-IIAWOOMASA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1ccnc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000272660630 210064991 /nfs/dbraw/zinc/06/49/91/210064991.db2.gz BUWMEZVUVTZISK-ZIAGYGMSSA-N 1 0 318.421 3.363 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCCC[C@H]1O ZINC000286956795 219243693 /nfs/dbraw/zinc/24/36/93/219243693.db2.gz HPZVTKZQVPFHRC-YSVLISHTSA-N 1 0 306.406 3.199 20 5 DGBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000130342805 432021820 /nfs/dbraw/zinc/02/18/20/432021820.db2.gz ANSKZAUXEDQYBZ-OAHLLOKOSA-N 1 0 320.389 3.472 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000130354484 185959217 /nfs/dbraw/zinc/95/92/17/185959217.db2.gz POOOWVXLTUGVPN-YOEHRIQHSA-N 1 0 314.385 3.157 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000279995794 215299708 /nfs/dbraw/zinc/29/97/08/215299708.db2.gz JBGSHEGJLLUBRL-KRWDZBQOSA-N 1 0 322.405 3.119 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000287138105 219337389 /nfs/dbraw/zinc/33/73/89/219337389.db2.gz XFECYCDBBQESDL-INIZCTEOSA-N 1 0 318.352 3.031 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000173307854 186174779 /nfs/dbraw/zinc/17/47/79/186174779.db2.gz IBTGLHBEGWCDFZ-MGPLVRAMSA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000107070552 432027560 /nfs/dbraw/zinc/02/75/60/432027560.db2.gz WTYCYUDNFDSHIM-STQMWFEESA-N 1 0 313.357 3.273 20 5 DGBDRO C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173366832 198207655 /nfs/dbraw/zinc/20/76/55/198207655.db2.gz UVZRHSYBJBISAW-CQSZACIVSA-N 1 0 319.405 3.038 20 5 DGBDRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000331953964 234314781 /nfs/dbraw/zinc/31/47/81/234314781.db2.gz KLQAVOCLBYQTDP-OAHLLOKOSA-N 1 0 317.389 3.249 20 5 DGBDRO CC(C)(CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000174578420 198355097 /nfs/dbraw/zinc/35/50/97/198355097.db2.gz PTOVHGGSUQNSAM-UHFFFAOYSA-N 1 0 304.346 3.105 20 5 DGBDRO CC(C)C[NH+]1CCC(N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000131222199 432033862 /nfs/dbraw/zinc/03/38/62/432033862.db2.gz XLMTVUSQLPIVFL-CQSZACIVSA-N 1 0 305.422 3.366 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN(CCO)Cc1ccccc1 ZINC000107904900 432042730 /nfs/dbraw/zinc/04/27/30/432042730.db2.gz YIJKTLXRMTZBRQ-UHFFFAOYSA-N 1 0 320.776 3.243 20 5 DGBDRO Cc1cc(NC[C@@H]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000276893121 213158985 /nfs/dbraw/zinc/15/89/85/213158985.db2.gz LOVIOFQJRQBTMX-YPMHNXCESA-N 1 0 301.346 3.024 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCC[C@]2(C)CCCO)ccc1[N+](=O)[O-] ZINC000276870638 213145320 /nfs/dbraw/zinc/14/53/20/213145320.db2.gz HOYMNOKELFWYHV-QGZVFWFLSA-N 1 0 322.405 3.121 20 5 DGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC(CO)CC1 ZINC000179243569 199004438 /nfs/dbraw/zinc/00/44/38/199004438.db2.gz YZCYSGDTYOWWGE-UHFFFAOYSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C(C)C)C(C)C ZINC000180449731 199160772 /nfs/dbraw/zinc/16/07/72/199160772.db2.gz XMNQRYGEGXXEAQ-UHFFFAOYSA-N 1 0 307.394 3.351 20 5 DGBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000134443976 432077528 /nfs/dbraw/zinc/07/75/28/432077528.db2.gz MAJOCDAFQYQENN-ZDUSSCGKSA-N 1 0 300.786 3.087 20 5 DGBDRO C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000185347629 199841501 /nfs/dbraw/zinc/84/15/01/199841501.db2.gz AQIHUQKILDFEND-ZDUSSCGKSA-N 1 0 319.405 3.071 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)C1CCCC1 ZINC000415064726 237050191 /nfs/dbraw/zinc/05/01/91/237050191.db2.gz LHVDYNNMDCYNTE-CJNGLKHVSA-N 1 0 305.422 3.023 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)o1 ZINC000188832632 200309658 /nfs/dbraw/zinc/30/96/58/200309658.db2.gz KYZQMVUIYSEETD-CHWSQXEVSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@H]4CC[C@@H]3C4)o2)c1 ZINC000170913760 432087767 /nfs/dbraw/zinc/08/77/67/432087767.db2.gz BGLRZDRYVAKUSP-GXTWGEPZSA-N 1 0 313.357 3.277 20 5 DGBDRO C[NH+](C)CC1(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCC1 ZINC000281155126 216117054 /nfs/dbraw/zinc/11/70/54/216117054.db2.gz BDOXMCXUUFOBGW-UHFFFAOYSA-N 1 0 315.320 3.092 20 5 DGBDRO Cc1sc(-c2nc(C3([NH3+])CCCCC3)no2)cc1[N+](=O)[O-] ZINC000424347702 237894654 /nfs/dbraw/zinc/89/46/54/237894654.db2.gz RULOUXCQACAMHI-UHFFFAOYSA-N 1 0 308.363 3.133 20 5 DGBDRO CC1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)COC1 ZINC000180533568 432088850 /nfs/dbraw/zinc/08/88/50/432088850.db2.gz MNISZUVFIIDSPQ-QGZVFWFLSA-N 1 0 312.369 3.310 20 5 DGBDRO CC(C)[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180552561 432089977 /nfs/dbraw/zinc/08/99/77/432089977.db2.gz FXYYONIWTDPYSF-ZWKOTPCHSA-N 1 0 314.385 3.291 20 5 DGBDRO Cc1nccn1CCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429264874 238045752 /nfs/dbraw/zinc/04/57/52/238045752.db2.gz OBKXFXKKYSKZGL-UHFFFAOYSA-N 1 0 316.405 3.405 20 5 DGBDRO Cc1c(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429030713 238039224 /nfs/dbraw/zinc/03/92/24/238039224.db2.gz RYVULNDZTHURQM-HBUWYVDXSA-N 1 0 317.433 3.065 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429575859 238056042 /nfs/dbraw/zinc/05/60/42/238056042.db2.gz AWLMRIHPGJPPHF-STQMWFEESA-N 1 0 308.378 3.103 20 5 DGBDRO C[NH2+]C[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000261937537 283591209 /nfs/dbraw/zinc/59/12/09/283591209.db2.gz KQVSZVHDTBNJEU-SNVBAGLBSA-N 1 0 317.311 3.049 20 5 DGBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000292770323 223238196 /nfs/dbraw/zinc/23/81/96/223238196.db2.gz KLPZTHNMHBRJEC-STQMWFEESA-N 1 0 316.357 3.200 20 5 DGBDRO CC1(C)[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H]2CCO[C@@H]21 ZINC000192893140 200958242 /nfs/dbraw/zinc/95/82/42/200958242.db2.gz QZJHRAUTEFFJOB-SIXLDLHFSA-N 1 0 316.401 3.375 20 5 DGBDRO CC[C@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271879879 209290266 /nfs/dbraw/zinc/29/02/66/209290266.db2.gz PEMYXASMAVEPTL-JKSUJKDBSA-N 1 0 306.406 3.433 20 5 DGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000063703336 283672679 /nfs/dbraw/zinc/67/26/79/283672679.db2.gz KIIBRYZFZABHEX-CQSZACIVSA-N 1 0 321.421 3.144 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000194006296 201161351 /nfs/dbraw/zinc/16/13/51/201161351.db2.gz BWPNBBFCYDITQJ-BXUZGUMPSA-N 1 0 305.378 3.010 20 5 DGBDRO COc1ccc(OCC[NH+](CC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000440469256 238948955 /nfs/dbraw/zinc/94/89/55/238948955.db2.gz VCCGXIWGAZUIEG-UHFFFAOYSA-N 1 0 320.389 3.104 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000441490049 239057822 /nfs/dbraw/zinc/05/78/22/239057822.db2.gz VKHXKJWVNGBLJZ-UHFFFAOYSA-N 1 0 322.405 3.494 20 5 DGBDRO CO[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000292910653 223303868 /nfs/dbraw/zinc/30/38/68/223303868.db2.gz FKHDWGPWJZLPGE-QGZVFWFLSA-N 1 0 316.357 3.369 20 5 DGBDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449060553 239997435 /nfs/dbraw/zinc/99/74/35/239997435.db2.gz TVUQJOBDVUIXMR-ZDUSSCGKSA-N 1 0 300.358 3.324 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000449068745 240000296 /nfs/dbraw/zinc/00/02/96/240000296.db2.gz CJQFRZTVHRBWFS-BBRMVZONSA-N 1 0 312.369 3.119 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCCCC1 ZINC000449114060 240024217 /nfs/dbraw/zinc/02/42/17/240024217.db2.gz CAFJUQOEXFJCFC-CXAGYDPISA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000449123209 240027091 /nfs/dbraw/zinc/02/70/91/240027091.db2.gz BNZFODZLUVYBPW-ZBFHGGJFSA-N 1 0 317.433 3.132 20 5 DGBDRO C[C@H](CCc1cccn1C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449151470 240040546 /nfs/dbraw/zinc/04/05/46/240040546.db2.gz XPJQKWZYPYVXDV-CABCVRRESA-N 1 0 315.417 3.475 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc(F)cc1 ZINC000449072946 240004664 /nfs/dbraw/zinc/00/46/64/240004664.db2.gz QYIPUACGLWLKGW-CYBMUJFWSA-N 1 0 318.348 3.334 20 5 DGBDRO CC(C)C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000449078234 240006999 /nfs/dbraw/zinc/00/69/99/240006999.db2.gz XMCVFCRDRIZLTL-GOEBONIOSA-N 1 0 307.438 3.092 20 5 DGBDRO COCc1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449081049 240007476 /nfs/dbraw/zinc/00/74/76/240007476.db2.gz BJBIPBGQLBYMJW-CQSZACIVSA-N 1 0 314.385 3.462 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1cccc(F)c1 ZINC000449083248 240009088 /nfs/dbraw/zinc/00/90/88/240009088.db2.gz BBCPPAVTNXRTAT-CYBMUJFWSA-N 1 0 318.348 3.334 20 5 DGBDRO COc1cccc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449082434 240009426 /nfs/dbraw/zinc/00/94/26/240009426.db2.gz NITMQJVABNIWSW-CQSZACIVSA-N 1 0 314.385 3.367 20 5 DGBDRO CSC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000449169149 240048621 /nfs/dbraw/zinc/04/86/21/240048621.db2.gz COFUDZNRXYZNBW-ZDUSSCGKSA-N 1 0 324.446 3.028 20 5 DGBDRO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449174238 240053535 /nfs/dbraw/zinc/05/35/35/240053535.db2.gz MIHDIZSMSOPYHA-GJZGRUSLSA-N 1 0 308.422 3.160 20 5 DGBDRO COC1CCC(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449179698 240055431 /nfs/dbraw/zinc/05/54/31/240055431.db2.gz WKVLQOYANCDWOZ-VQCLRJIVSA-N 1 0 306.406 3.321 20 5 DGBDRO CCc1noc(CC)c1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449191203 240060622 /nfs/dbraw/zinc/06/06/22/240060622.db2.gz OIWRMFRGVHEWML-GFCCVEGCSA-N 1 0 317.389 3.428 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000449197170 240061385 /nfs/dbraw/zinc/06/13/85/240061385.db2.gz UUDLFAXBGQBNOE-VKJFTORMSA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000449225021 240077153 /nfs/dbraw/zinc/07/71/53/240077153.db2.gz JPARWUYEVNMNCJ-WFASDCNBSA-N 1 0 306.406 3.462 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnn2C2CCCC2)cc1 ZINC000449223753 240077611 /nfs/dbraw/zinc/07/76/11/240077611.db2.gz YWJLZGOVSUWLHS-UHFFFAOYSA-N 1 0 300.362 3.196 20 5 DGBDRO CCC(CC)(C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000449232333 240081875 /nfs/dbraw/zinc/08/18/75/240081875.db2.gz SXXCSYGORIRRLW-CYBMUJFWSA-N 1 0 322.405 3.095 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000449252159 240092271 /nfs/dbraw/zinc/09/22/71/240092271.db2.gz RPZBHRMSQKNTBQ-XWIAVFTESA-N 1 0 318.417 3.321 20 5 DGBDRO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449337288 240140803 /nfs/dbraw/zinc/14/08/03/240140803.db2.gz PIGHKEJIWOWOEL-HUUCEWRRSA-N 1 0 307.438 3.236 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCCC1(C)C ZINC000449343394 240142757 /nfs/dbraw/zinc/14/27/57/240142757.db2.gz KALCTQPUWTWOGY-SUMWQHHRSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1noc2c1CCCC2 ZINC000449328812 240135070 /nfs/dbraw/zinc/13/50/70/240135070.db2.gz LLWHEUYTFYCQOF-GFCCVEGCSA-N 1 0 315.373 3.182 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000449495972 240245682 /nfs/dbraw/zinc/24/56/82/240245682.db2.gz PDQOAIBGEHCSOV-CZUORRHYSA-N 1 0 322.405 3.240 20 5 DGBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449484234 240236443 /nfs/dbraw/zinc/23/64/43/240236443.db2.gz LTTYIAIKQZROPC-OCCSQVGLSA-N 1 0 314.389 3.131 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCC3(CO)CC3)o2)c1 ZINC000449579693 240302402 /nfs/dbraw/zinc/30/24/02/240302402.db2.gz IWGLDNXRYAALPM-UHFFFAOYSA-N 1 0 316.357 3.107 20 5 DGBDRO CCn1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449504251 240253199 /nfs/dbraw/zinc/25/31/99/240253199.db2.gz VMRCUMIHVSSERV-MRXNPFEDSA-N 1 0 314.389 3.191 20 5 DGBDRO CC(C)[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000449514242 240259418 /nfs/dbraw/zinc/25/94/18/240259418.db2.gz VNOJNVHKWFFCBS-QJWRSFSASA-N 1 0 320.433 3.487 20 5 DGBDRO CC[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000246195363 432105512 /nfs/dbraw/zinc/10/55/12/432105512.db2.gz IJGKRKSWKLOIMW-VXGBXAGGSA-N 1 0 316.361 3.438 20 5 DGBDRO CCC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)COC1 ZINC000449599720 240313260 /nfs/dbraw/zinc/31/32/60/240313260.db2.gz LLZYVDZZMRERCI-UHFFFAOYSA-N 1 0 316.357 3.371 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN(Cc1cnc2ccccn12)C1CC1 ZINC000135242063 432107030 /nfs/dbraw/zinc/10/70/30/432107030.db2.gz WVLAHAGTRNHAIK-UHFFFAOYSA-N 1 0 322.368 3.407 20 5 DGBDRO C[C@@H](c1ccncc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000091989039 193138977 /nfs/dbraw/zinc/13/89/77/193138977.db2.gz SDNZFEHKURQMGE-ZDUSSCGKSA-N 1 0 301.346 3.062 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000451091938 241001991 /nfs/dbraw/zinc/00/19/91/241001991.db2.gz KVHBBCTYXHTUSM-HIFRSBDPSA-N 1 0 317.433 3.380 20 5 DGBDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000451544745 241166105 /nfs/dbraw/zinc/16/61/05/241166105.db2.gz FRIYMJLVYNTLLG-CQSZACIVSA-N 1 0 301.346 3.271 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCc3cccnc3)C2)cc1 ZINC000451553250 241170465 /nfs/dbraw/zinc/17/04/65/241170465.db2.gz XYONHXCQRGQUGV-QGZVFWFLSA-N 1 0 311.385 3.412 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2=CCCCC2)n1 ZINC000453248087 241688470 /nfs/dbraw/zinc/68/84/70/241688470.db2.gz KPQCBVUKKJCNGQ-HUUCEWRRSA-N 1 0 304.394 3.365 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093770370 284014398 /nfs/dbraw/zinc/01/43/98/284014398.db2.gz YOMNMAICXYYTPF-MRXNPFEDSA-N 1 0 319.449 3.492 20 5 DGBDRO C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000156405070 296122601 /nfs/dbraw/zinc/12/26/01/296122601.db2.gz MQDOVOAEIZXTCB-LLVKDONJSA-N 1 0 319.327 3.130 20 5 DGBDRO CC(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(CO)CCCC1 ZINC000459549202 243409578 /nfs/dbraw/zinc/40/95/78/243409578.db2.gz YWEWADGVUZDFKL-KRWDZBQOSA-N 1 0 320.433 3.304 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000459617592 243433061 /nfs/dbraw/zinc/43/30/61/243433061.db2.gz RDMSUNFSKYGPGW-GUYCJALGSA-N 1 0 319.405 3.400 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000111254920 284077011 /nfs/dbraw/zinc/07/70/11/284077011.db2.gz TUASEQORMDPTBE-SNVBAGLBSA-N 1 0 313.785 3.165 20 5 DGBDRO CCC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000459801720 243507831 /nfs/dbraw/zinc/50/78/31/243507831.db2.gz LRCWYQHBPAIBGC-CQSZACIVSA-N 1 0 319.405 3.482 20 5 DGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000462896915 243697990 /nfs/dbraw/zinc/69/79/90/243697990.db2.gz VNEPJWDGFNGITA-UHFFFAOYSA-N 1 0 311.385 3.106 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467833608 244008385 /nfs/dbraw/zinc/00/83/85/244008385.db2.gz AEWCPCIDSJMJKO-ZBFHGGJFSA-N 1 0 314.385 3.097 20 5 DGBDRO CCN(CC)C[C@@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468630263 244057484 /nfs/dbraw/zinc/05/74/84/244057484.db2.gz OETXZYOJLLJSDH-BAAYTWLHSA-N 1 0 305.422 3.318 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CCCCC1 ZINC000468655452 244058478 /nfs/dbraw/zinc/05/84/78/244058478.db2.gz LCUGTEXYWUSCNQ-GXDHUFHOSA-N 1 0 304.390 3.283 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CCCC1 ZINC000468558382 244051706 /nfs/dbraw/zinc/05/17/06/244051706.db2.gz BKLZDMROIOKONU-OAHLLOKOSA-N 1 0 320.433 3.448 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CCCC1 ZINC000468558381 244052140 /nfs/dbraw/zinc/05/21/40/244052140.db2.gz BKLZDMROIOKONU-HNNXBMFYSA-N 1 0 320.433 3.448 20 5 DGBDRO CCC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000470175910 244156534 /nfs/dbraw/zinc/15/65/34/244156534.db2.gz TVCIKRKJFPKXFA-UVTDQMKNSA-N 1 0 306.406 3.481 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(N)c1F)C1CCCCC1 ZINC000471249868 244210763 /nfs/dbraw/zinc/21/07/63/244210763.db2.gz AMFMHOMSZNOMTG-CQSZACIVSA-N 1 0 324.400 3.239 20 5 DGBDRO C[C@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000119052304 284133161 /nfs/dbraw/zinc/13/31/61/284133161.db2.gz LHXAJUZLFKWMFZ-GJZGRUSLSA-N 1 0 305.422 3.366 20 5 DGBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000119397458 284142627 /nfs/dbraw/zinc/14/26/27/284142627.db2.gz MKZZXQRTTHJNMW-AWEZNQCLSA-N 1 0 314.385 3.406 20 5 DGBDRO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000119496881 284144194 /nfs/dbraw/zinc/14/41/94/284144194.db2.gz GYDGYCKTRGOEQY-UHFFFAOYSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@@H](c1cccnc1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000093236689 193220327 /nfs/dbraw/zinc/22/03/27/193220327.db2.gz XGAXOHZYKQQTSB-AWEZNQCLSA-N 1 0 315.373 3.452 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[C@@H]1C ZINC000488059533 245141064 /nfs/dbraw/zinc/14/10/64/245141064.db2.gz BYILMPXJJSMNBS-BLLLJJGKSA-N 1 0 310.369 3.371 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000265014830 204344055 /nfs/dbraw/zinc/34/40/55/204344055.db2.gz XMQIFTYBXLTOCC-UHFFFAOYSA-N 1 0 314.389 3.110 20 5 DGBDRO Cc1ccccc1[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000126088804 284293309 /nfs/dbraw/zinc/29/33/09/284293309.db2.gz WIJKGBPKAQYNHH-GOSISDBHSA-N 1 0 312.369 3.477 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282545029 217078958 /nfs/dbraw/zinc/07/89/58/217078958.db2.gz RSMLIPUJMPZQHM-HOCLYGCPSA-N 1 0 310.369 3.417 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)c(F)c1 ZINC000282664422 217162243 /nfs/dbraw/zinc/16/22/43/217162243.db2.gz MFQJEXRIKSEHKX-OAHLLOKOSA-N 1 0 308.353 3.173 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000271699810 209136458 /nfs/dbraw/zinc/13/64/58/209136458.db2.gz SHUMRRDOXVEZIN-SJORKVTESA-N 1 0 300.358 3.369 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCC2 ZINC000266157174 205144738 /nfs/dbraw/zinc/14/47/38/205144738.db2.gz MMJFGMAMDUOYPY-JKSUJKDBSA-N 1 0 320.389 3.041 20 5 DGBDRO Cn1cc(C[N@H+](C)CC2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127766073 284350604 /nfs/dbraw/zinc/35/06/04/284350604.db2.gz HLHKUFQAPITCKJ-UHFFFAOYSA-N 1 0 314.389 3.227 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2cncc(C)c2)cc1[N+](=O)[O-] ZINC000274673740 211817769 /nfs/dbraw/zinc/81/77/69/211817769.db2.gz YLVSXGVACZRCMG-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO Cc1c(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000135628934 432130745 /nfs/dbraw/zinc/13/07/45/432130745.db2.gz OBAQNXUYKDRLKL-MRXNPFEDSA-N 1 0 314.389 3.146 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000268768934 432131507 /nfs/dbraw/zinc/13/15/07/432131507.db2.gz DFFWXIFXSAPQQD-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO CC[C@@]1(CO)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190216742 432134020 /nfs/dbraw/zinc/13/40/20/432134020.db2.gz WUNCEYOPVKRTQJ-ZGRWHYIRSA-N 1 0 304.390 3.093 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cncc(F)c2)cc1 ZINC000494550085 246161990 /nfs/dbraw/zinc/16/19/90/246161990.db2.gz SYRNYPUPVBGXMU-UHFFFAOYSA-N 1 0 303.337 3.241 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000044503194 183415807 /nfs/dbraw/zinc/41/58/07/183415807.db2.gz XSHLPDCCPAGBSS-VIFPVBQESA-N 1 0 303.284 3.025 20 5 DGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000191567008 284781786 /nfs/dbraw/zinc/78/17/86/284781786.db2.gz XCZAWWKYLFLTFR-WMLDXEAASA-N 1 0 314.385 3.157 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000285084587 218284074 /nfs/dbraw/zinc/28/40/74/218284074.db2.gz JTYJEMHNMMHJAW-NORZTCDRSA-N 1 0 307.394 3.031 20 5 DGBDRO CCOC1CC(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000285285982 218366489 /nfs/dbraw/zinc/36/64/89/218366489.db2.gz AVBFECIXNJXGGD-UHFFFAOYSA-N 1 0 304.390 3.374 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000268847026 207012637 /nfs/dbraw/zinc/01/26/37/207012637.db2.gz FCEMVAAWSTZHJD-CYBMUJFWSA-N 1 0 300.358 3.246 20 5 DGBDRO CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351290 184231644 /nfs/dbraw/zinc/23/16/44/184231644.db2.gz IFDQKEAQOWLFIH-KRWDZBQOSA-N 1 0 300.358 3.150 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000247052845 284940451 /nfs/dbraw/zinc/94/04/51/284940451.db2.gz MFZRFTSLUOFRTJ-XKQJLSEDSA-N 1 0 306.406 3.495 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCCCC1(C)C ZINC000119762848 195031554 /nfs/dbraw/zinc/03/15/54/195031554.db2.gz YVEKLGUPDNMRKW-HNNXBMFYSA-N 1 0 319.405 3.400 20 5 DGBDRO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000119805845 195040205 /nfs/dbraw/zinc/04/02/05/195040205.db2.gz MIOYITKLGVLEDL-LBPRGKRZSA-N 1 0 323.393 3.160 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCSC1 ZINC000119961242 195070610 /nfs/dbraw/zinc/07/06/10/195070610.db2.gz JEBSZKCFKRRKEL-CQSZACIVSA-N 1 0 310.419 3.319 20 5 DGBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000298163554 252880684 /nfs/dbraw/zinc/88/06/84/252880684.db2.gz SZWPMKDYBBETPJ-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1C ZINC000336854809 253009045 /nfs/dbraw/zinc/00/90/45/253009045.db2.gz RTLFJRGMBOPLKN-RYUDHWBXSA-N 1 0 300.362 3.038 20 5 DGBDRO COc1cccc(NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000336861155 253011972 /nfs/dbraw/zinc/01/19/72/253011972.db2.gz XVJPGCXKWYAEPL-CYBMUJFWSA-N 1 0 307.394 3.137 20 5 DGBDRO Cc1ccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000336872420 253015716 /nfs/dbraw/zinc/01/57/16/253015716.db2.gz NMBQHKYAFTXCTH-UHFFFAOYSA-N 1 0 308.341 3.189 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000269340730 285090994 /nfs/dbraw/zinc/09/09/94/285090994.db2.gz CBVYZBYIPUAADD-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000270256001 208322501 /nfs/dbraw/zinc/32/25/01/208322501.db2.gz GXYVZARDJVPHMA-QGZVFWFLSA-N 1 0 318.348 3.040 20 5 DGBDRO COCC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000337945090 253198044 /nfs/dbraw/zinc/19/80/44/253198044.db2.gz IGKALDBDWZIWMZ-OAHLLOKOSA-N 1 0 310.394 3.144 20 5 DGBDRO COc1ccc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000338477782 253294904 /nfs/dbraw/zinc/29/49/04/253294904.db2.gz QJXHCOACXHYNBZ-CHWSQXEVSA-N 1 0 322.405 3.287 20 5 DGBDRO CC(C)CO[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255069067 285126097 /nfs/dbraw/zinc/12/60/97/285126097.db2.gz VASZFHLIXZYZDH-WRLNGNIRSA-N 1 0 304.390 3.355 20 5 DGBDRO CCOC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255146451 285134375 /nfs/dbraw/zinc/13/43/75/285134375.db2.gz ZHJFSHLQYXTOSC-WUKHSURWSA-N 1 0 304.390 3.357 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCN(C3CC3)CC1)CCC2 ZINC000192627103 285144005 /nfs/dbraw/zinc/14/40/05/285144005.db2.gz VTLRKMHEJGQLDT-SFHVURJKSA-N 1 0 315.417 3.189 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000340446544 253623645 /nfs/dbraw/zinc/62/36/45/253623645.db2.gz NOKXMDHMIQZKJX-ABAIWWIYSA-N 1 0 301.346 3.497 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000158253441 197256911 /nfs/dbraw/zinc/25/69/11/197256911.db2.gz POOOWVXLTUGVPN-WMLDXEAASA-N 1 0 314.385 3.157 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451958946 285155847 /nfs/dbraw/zinc/15/58/47/285155847.db2.gz IAWHPCHJBORBPC-OAHLLOKOSA-N 1 0 310.394 3.453 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1cccnc1)C1CC1 ZINC000133459503 285161972 /nfs/dbraw/zinc/16/19/72/285161972.db2.gz CAJGLVRXEIOEAE-KRWDZBQOSA-N 1 0 311.385 3.143 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000157669095 197206790 /nfs/dbraw/zinc/20/67/90/197206790.db2.gz UWEBUVWMYFECHU-CYBMUJFWSA-N 1 0 314.389 3.227 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000342820833 254059163 /nfs/dbraw/zinc/05/91/63/254059163.db2.gz APRBRHQQMIUWFE-LBPRGKRZSA-N 1 0 310.357 3.364 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343682062 254177606 /nfs/dbraw/zinc/17/76/06/254177606.db2.gz HSVALVJFTACTFC-QWHCGFSZSA-N 1 0 307.394 3.290 20 5 DGBDRO Cc1ccccc1[C@H]([C@@H](C)Nc1ncc([N+](=O)[O-])s1)[NH+](C)C ZINC000343818067 254192620 /nfs/dbraw/zinc/19/26/20/254192620.db2.gz YWLOGDOABDNHQM-RISCZKNCSA-N 1 0 320.418 3.463 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000343919957 254202855 /nfs/dbraw/zinc/20/28/55/254202855.db2.gz JZYZQYJFGHYMRI-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000344057438 254218949 /nfs/dbraw/zinc/21/89/49/254218949.db2.gz WMEKUBVCZUUGOB-UHFFFAOYSA-N 1 0 319.405 3.271 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](C4CC4)C3)nc2c1 ZINC000344093677 254224048 /nfs/dbraw/zinc/22/40/48/254224048.db2.gz KSXHHGQFHLXNRX-GFCCVEGCSA-N 1 0 300.362 3.093 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000344227386 254241905 /nfs/dbraw/zinc/24/19/05/254241905.db2.gz TUPPFKIPXZIVNO-ZDUSSCGKSA-N 1 0 300.358 3.330 20 5 DGBDRO CC[C@@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000344239427 254243241 /nfs/dbraw/zinc/24/32/41/254243241.db2.gz LQMLIGNZACEJPT-INIZCTEOSA-N 1 0 305.378 3.045 20 5 DGBDRO C[C@H](CO)CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271408298 208888309 /nfs/dbraw/zinc/88/83/09/208888309.db2.gz AJBSTCYZRFWEJI-ZOBUZTSGSA-N 1 0 320.433 3.304 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccco1 ZINC000344429873 254269903 /nfs/dbraw/zinc/26/99/03/254269903.db2.gz BTSQQHWTOJXCMS-CYBMUJFWSA-N 1 0 304.350 3.078 20 5 DGBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])nc2)[NH+]2CCCC2)o1 ZINC000344443037 254271372 /nfs/dbraw/zinc/27/13/72/254271372.db2.gz XBPBPNYZDGOUCA-AWEZNQCLSA-N 1 0 316.361 3.140 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(F)cn1 ZINC000344746063 254302069 /nfs/dbraw/zinc/30/20/69/254302069.db2.gz XTTFJSGXUUFRRU-GFCCVEGCSA-N 1 0 303.337 3.240 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1c(C)noc1C ZINC000344889988 254314101 /nfs/dbraw/zinc/31/41/01/254314101.db2.gz ZVQGBJWMSDGRME-FMIVXFBMSA-N 1 0 315.373 3.435 20 5 DGBDRO C[C@@H]([NH2+]CCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000156900318 197149489 /nfs/dbraw/zinc/14/94/89/197149489.db2.gz AGEIFBKPECKIQO-CQSZACIVSA-N 1 0 300.358 3.462 20 5 DGBDRO CC[C@@H]([NH2+]CCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000156039332 197082415 /nfs/dbraw/zinc/08/24/15/197082415.db2.gz RHTXFYVDDSTAJQ-MRXNPFEDSA-N 1 0 303.362 3.483 20 5 DGBDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000155990020 197079078 /nfs/dbraw/zinc/07/90/78/197079078.db2.gz DCEZEHWEJINEPN-LLVKDONJSA-N 1 0 303.362 3.401 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000282432534 285228899 /nfs/dbraw/zinc/22/88/99/285228899.db2.gz MKNSDRXIFUHHKB-ABAIWWIYSA-N 1 0 300.362 3.057 20 5 DGBDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000120519269 195183188 /nfs/dbraw/zinc/18/31/88/195183188.db2.gz RGYQAKFVRPDKQG-INIZCTEOSA-N 1 0 316.405 3.135 20 5 DGBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289489325 221013698 /nfs/dbraw/zinc/01/36/98/221013698.db2.gz JHRIPMICJIDSCS-LLVKDONJSA-N 1 0 321.204 3.398 20 5 DGBDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C2 ZINC000289691515 221158489 /nfs/dbraw/zinc/15/84/89/221158489.db2.gz SMRNEYZXSSRLCX-ZDUSSCGKSA-N 1 0 304.371 3.058 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000470174524 533406819 /nfs/dbraw/zinc/40/68/19/533406819.db2.gz LROMUWLEKAWCLM-SHRNQRGKSA-N 1 0 304.390 3.499 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C[N@@H+]1C1CC1 ZINC000413181431 533662031 /nfs/dbraw/zinc/66/20/31/533662031.db2.gz FIAQQNKWUVNVKJ-VXGBXAGGSA-N 1 0 312.373 3.180 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000356736297 285465457 /nfs/dbraw/zinc/46/54/57/285465457.db2.gz KKFXZMORSPDCAN-CQSZACIVSA-N 1 0 302.378 3.205 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccncn2)CC1 ZINC000297988688 132043163 /nfs/dbraw/zinc/04/31/63/132043163.db2.gz AEVBVRNWZQECKX-CYBMUJFWSA-N 1 0 312.373 3.325 20 5 DGBDRO CSc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000357351023 285727994 /nfs/dbraw/zinc/72/79/94/285727994.db2.gz DXVYFKVUELNVKL-UHFFFAOYSA-N 1 0 303.387 3.310 20 5 DGBDRO Cc1nc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000357778839 285864620 /nfs/dbraw/zinc/86/46/20/285864620.db2.gz NZMJICMKKZVPTR-LLVKDONJSA-N 1 0 303.362 3.401 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@@H+]1CCCC1(C)C ZINC000595043759 400087136 /nfs/dbraw/zinc/08/71/36/400087136.db2.gz AAUBLWLRAPFCSS-CYBMUJFWSA-N 1 0 321.421 3.128 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056530 400092588 /nfs/dbraw/zinc/09/25/88/400092588.db2.gz LFNGNFFVUVDADB-KBPBESRZSA-N 1 0 305.422 3.427 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000595067379 400097247 /nfs/dbraw/zinc/09/72/47/400097247.db2.gz HGEHRBLSUUFAEC-CLDOJUJZSA-N 1 0 324.446 3.244 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000595069412 400097262 /nfs/dbraw/zinc/09/72/62/400097262.db2.gz SACCHYWYDNXKQJ-NHYWBVRUSA-N 1 0 304.390 3.068 20 5 DGBDRO C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000595078037 400100693 /nfs/dbraw/zinc/10/06/93/400100693.db2.gz SHACHCNKAGSIJW-NSHDSACASA-N 1 0 300.362 3.057 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1c(C2CC2)cnn1C ZINC000595076115 400100709 /nfs/dbraw/zinc/10/07/09/400100709.db2.gz FCHUDGLBSZHHKT-GFCCVEGCSA-N 1 0 314.389 3.365 20 5 DGBDRO CCC[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000595088656 400101935 /nfs/dbraw/zinc/10/19/35/400101935.db2.gz KXLPHSCGYVDOFG-PBHICJAKSA-N 1 0 306.406 3.434 20 5 DGBDRO CO[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCC1 ZINC000595094166 400104085 /nfs/dbraw/zinc/10/40/85/400104085.db2.gz HNFCDIMJDPHUFH-WBVHZDCISA-N 1 0 304.390 3.377 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCc1ccco1 ZINC000595092973 400104135 /nfs/dbraw/zinc/10/41/35/400104135.db2.gz CBLJTDJKAMKQDK-GFCCVEGCSA-N 1 0 304.346 3.480 20 5 DGBDRO CCCN1CC[C@H]([NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000595097372 400105004 /nfs/dbraw/zinc/10/50/04/400105004.db2.gz URCQAKOKIRALKK-HIFRSBDPSA-N 1 0 321.421 3.128 20 5 DGBDRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000595097371 400105037 /nfs/dbraw/zinc/10/50/37/400105037.db2.gz URCQAKOKIRALKK-DZGCQCFKSA-N 1 0 321.421 3.128 20 5 DGBDRO CC[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000584834337 400112052 /nfs/dbraw/zinc/11/20/52/400112052.db2.gz JYQHGJZPQJXIEJ-UONOGXRCSA-N 1 0 319.405 3.482 20 5 DGBDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000595022556 400079741 /nfs/dbraw/zinc/07/97/41/400079741.db2.gz MXNNSYNSBIKVLD-CQSZACIVSA-N 1 0 322.796 3.056 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000595023857 400079841 /nfs/dbraw/zinc/07/98/41/400079841.db2.gz YZXGSRLYDYLTPA-OLZOCXBDSA-N 1 0 320.389 3.356 20 5 DGBDRO COC1([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000595025077 400080449 /nfs/dbraw/zinc/08/04/49/400080449.db2.gz FQHIMDIBDFTALJ-AWEZNQCLSA-N 1 0 306.406 3.465 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000595027154 400081481 /nfs/dbraw/zinc/08/14/81/400081481.db2.gz PMBHGKPHBMGGTR-LRDDRELGSA-N 1 0 322.405 3.051 20 5 DGBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc2ccccc2c2cccnc12 ZINC000581729019 400081980 /nfs/dbraw/zinc/08/19/80/400081980.db2.gz GDPZWJVWPGIISL-HNNXBMFYSA-N 1 0 321.424 3.491 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506970 400172659 /nfs/dbraw/zinc/17/26/59/400172659.db2.gz JIMDOWBTNZOGTE-RHSMWYFYSA-N 1 0 303.406 3.074 20 5 DGBDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609571519 400176971 /nfs/dbraw/zinc/17/69/71/400176971.db2.gz MBNSLDSBXZFBQF-KRWDZBQOSA-N 1 0 318.373 3.496 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000609595593 400180328 /nfs/dbraw/zinc/18/03/28/400180328.db2.gz RMAGGSOVPWIPCA-ZDUSSCGKSA-N 1 0 314.389 3.110 20 5 DGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092582298 400183240 /nfs/dbraw/zinc/18/32/40/400183240.db2.gz JHSREVGTONWVAP-LLVKDONJSA-N 1 0 315.320 3.092 20 5 DGBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092582299 400183356 /nfs/dbraw/zinc/18/33/56/400183356.db2.gz JHSREVGTONWVAP-NSHDSACASA-N 1 0 315.320 3.092 20 5 DGBDRO Cc1ccnc(NCC2([NH+](C)C)CCCCCC2)c1[N+](=O)[O-] ZINC000609668994 400185197 /nfs/dbraw/zinc/18/51/97/400185197.db2.gz MQSWFYUITAHZAK-UHFFFAOYSA-N 1 0 306.410 3.365 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000595297719 400121909 /nfs/dbraw/zinc/12/19/09/400121909.db2.gz NAWSOAXWMQLREM-CQSZACIVSA-N 1 0 319.336 3.237 20 5 DGBDRO Cc1noc(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595322151 400126652 /nfs/dbraw/zinc/12/66/52/400126652.db2.gz MGRLFWSXLHFJKT-RISCZKNCSA-N 1 0 301.346 3.269 20 5 DGBDRO Cc1noc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595323501 400127474 /nfs/dbraw/zinc/12/74/74/400127474.db2.gz YXIVVWAECQBRKT-ZWNOBZJWSA-N 1 0 319.336 3.408 20 5 DGBDRO C[C@@](CO)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000595334789 400130093 /nfs/dbraw/zinc/13/00/93/400130093.db2.gz VXZBOVAPBQYRKY-INIZCTEOSA-N 1 0 310.369 3.155 20 5 DGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595346475 400132355 /nfs/dbraw/zinc/13/23/55/400132355.db2.gz JJYHIXORTYOBPN-WFASDCNBSA-N 1 0 309.385 3.039 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)C1CC1 ZINC000585794537 400142955 /nfs/dbraw/zinc/14/29/55/400142955.db2.gz FDHHBZZAFARSBD-XKQJLSEDSA-N 1 0 318.417 3.057 20 5 DGBDRO [NH3+][C@@H]1CCCCc2cc(-c3cc([N+](=O)[O-])ccc3CO)ccc21 ZINC000600781455 400151823 /nfs/dbraw/zinc/15/18/23/400151823.db2.gz BZHFOXNDPXRHTK-GOSISDBHSA-N 1 0 312.369 3.480 20 5 DGBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc(C[NH2+]CC3CC3)c2)c1 ZINC000600784266 400151949 /nfs/dbraw/zinc/15/19/49/400151949.db2.gz ZLZGUEALNJYWOB-UHFFFAOYSA-N 1 0 312.369 3.254 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595442835 400152593 /nfs/dbraw/zinc/15/25/93/400152593.db2.gz WUNBCFGCQTZKCY-HOCLYGCPSA-N 1 0 310.369 3.417 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586790810 400157472 /nfs/dbraw/zinc/15/74/72/400157472.db2.gz WUYITRNRUYZVQK-SNVBAGLBSA-N 1 0 313.313 3.292 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCCCC1 ZINC000015375985 400164001 /nfs/dbraw/zinc/16/40/01/400164001.db2.gz GGYUKXJRWRASJB-NSHDSACASA-N 1 0 302.334 3.192 20 5 DGBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494371 400168066 /nfs/dbraw/zinc/16/80/66/400168066.db2.gz XVRLMQBWSRPPDK-IUODEOHRSA-N 1 0 310.369 3.249 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000609448995 400168251 /nfs/dbraw/zinc/16/82/51/400168251.db2.gz DPOMZDXKHDMSBP-HNNXBMFYSA-N 1 0 318.421 3.446 20 5 DGBDRO COCCc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000601101492 400232338 /nfs/dbraw/zinc/23/23/38/400232338.db2.gz SVDHLBRNDNVLHA-LLVKDONJSA-N 1 0 321.402 3.091 20 5 DGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000610281711 400234384 /nfs/dbraw/zinc/23/43/84/400234384.db2.gz AIJBQESSWFIHCE-MRXNPFEDSA-N 1 0 311.385 3.306 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CCO ZINC000595706960 400237369 /nfs/dbraw/zinc/23/73/69/400237369.db2.gz ZPSBYBOXPISHGD-NHYWBVRUSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CCF)C2)c2c(c1)COCO2 ZINC000595754794 400251075 /nfs/dbraw/zinc/25/10/75/400251075.db2.gz CBZGIDIVEXOQHP-LBPRGKRZSA-N 1 0 324.352 3.033 20 5 DGBDRO CC(C)OCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000601160017 400252130 /nfs/dbraw/zinc/25/21/30/400252130.db2.gz PSKNRJKCPCBTML-UHFFFAOYSA-N 1 0 304.346 3.369 20 5 DGBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000595765244 400252990 /nfs/dbraw/zinc/25/29/90/400252990.db2.gz IYFQXRRRLOJDSO-AWEZNQCLSA-N 1 0 305.378 3.010 20 5 DGBDRO CC[C@H](C)[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595602519 400200445 /nfs/dbraw/zinc/20/04/45/400200445.db2.gz VYUOXUCZWCMARD-ZDUSSCGKSA-N 1 0 307.394 3.352 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C2CCCC1CCC2 ZINC000610395060 400254114 /nfs/dbraw/zinc/25/41/14/400254114.db2.gz VUWZPRXQLSLTFO-UHFFFAOYSA-N 1 0 317.389 3.249 20 5 DGBDRO CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000610012703 400208043 /nfs/dbraw/zinc/20/80/43/400208043.db2.gz AMBYWRXIOSZZDP-LBPRGKRZSA-N 1 0 308.378 3.147 20 5 DGBDRO C[N@H+](CCNc1ccsc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000610510566 400268188 /nfs/dbraw/zinc/26/81/88/400268188.db2.gz YVLORPDCLVWSJG-UHFFFAOYSA-N 1 0 309.366 3.339 20 5 DGBDRO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000106439905 400326172 /nfs/dbraw/zinc/32/61/72/400326172.db2.gz GSGBAHGKMXKLIP-QWHCGFSZSA-N 1 0 319.405 3.432 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595822294 400271329 /nfs/dbraw/zinc/27/13/29/400271329.db2.gz PVKFCMSQDNJEBD-UHFFFAOYSA-N 1 0 316.401 3.028 20 5 DGBDRO COc1ccc(OCC[NH2+]C2(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000595830559 400274022 /nfs/dbraw/zinc/27/40/22/400274022.db2.gz HVJUSUUOZBDKDK-UHFFFAOYSA-N 1 0 308.378 3.151 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CO)CCCCC1 ZINC000610583422 400278686 /nfs/dbraw/zinc/27/86/86/400278686.db2.gz BHDSDSMDIVWIJF-UHFFFAOYSA-N 1 0 322.405 3.026 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000030270602 400322967 /nfs/dbraw/zinc/32/29/67/400322967.db2.gz GMIGAPQKDMMAJJ-GFCCVEGCSA-N 1 0 323.393 3.052 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601301309 400286163 /nfs/dbraw/zinc/28/61/63/400286163.db2.gz YAQSBEURZHGGIW-ICCXJUOJSA-N 1 0 320.311 3.337 20 5 DGBDRO CCCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000589309148 400286890 /nfs/dbraw/zinc/28/68/90/400286890.db2.gz JAMDVZXTLRXOKT-CYBMUJFWSA-N 1 0 307.394 3.434 20 5 DGBDRO [NH3+][C@H]1CCc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000595904034 400290768 /nfs/dbraw/zinc/29/07/68/400290768.db2.gz OAVIOTQFXGJHNV-AWEZNQCLSA-N 1 0 315.348 3.014 20 5 DGBDRO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CC1(C)C ZINC000595910936 400292593 /nfs/dbraw/zinc/29/25/93/400292593.db2.gz DTHKVLIEZZFAGM-LBPRGKRZSA-N 1 0 316.361 3.123 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC1CCCCC1 ZINC000029455070 400308388 /nfs/dbraw/zinc/30/83/88/400308388.db2.gz OEITUWVBCOIPDA-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO O=[N+]([O-])c1ccc(OCc2cccc3c2CC[NH2+]C3)c(Cl)c1 ZINC000596070886 400308811 /nfs/dbraw/zinc/30/88/11/400308811.db2.gz ULKQTJXENRVASY-UHFFFAOYSA-N 1 0 318.760 3.473 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1 ZINC000610811093 400310536 /nfs/dbraw/zinc/31/05/36/400310536.db2.gz SYHKCIIZGVJSFS-MRXNPFEDSA-N 1 0 316.332 3.390 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCOCCF)c2ccccc2)c1 ZINC000596092187 400315122 /nfs/dbraw/zinc/31/51/22/400315122.db2.gz BWUCQNNJFRNWKE-QGZVFWFLSA-N 1 0 318.348 3.260 20 5 DGBDRO C[C@H](CC[NH+](C)C)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596099620 400318060 /nfs/dbraw/zinc/31/80/60/400318060.db2.gz UOUPVOSGKXVPAU-SECBINFHSA-N 1 0 316.199 3.109 20 5 DGBDRO CC[C@H]1C[N@H+](C)CCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000601188005 400258249 /nfs/dbraw/zinc/25/82/49/400258249.db2.gz APFHVMUFUHSGIB-AWEZNQCLSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1nc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000611335741 400379475 /nfs/dbraw/zinc/37/94/75/400379475.db2.gz XWEFWGXRZZFSJK-SNVBAGLBSA-N 1 0 321.402 3.398 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC1CC1 ZINC000611337464 400379647 /nfs/dbraw/zinc/37/96/47/400379647.db2.gz KUJAABWCZCJCPN-ZIAGYGMSSA-N 1 0 324.446 3.216 20 5 DGBDRO Cc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000596133073 400326529 /nfs/dbraw/zinc/32/65/29/400326529.db2.gz CSLJGDSRFUTRPU-ZDUSSCGKSA-N 1 0 309.435 3.419 20 5 DGBDRO Cc1nccn1CCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000069754277 400341552 /nfs/dbraw/zinc/34/15/52/400341552.db2.gz QHKMUKXQMIMJAC-UHFFFAOYSA-N 1 0 316.405 3.403 20 5 DGBDRO O=C(CC[NH+]1CCC(C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000590008693 400347859 /nfs/dbraw/zinc/34/78/59/400347859.db2.gz TWMQOGBTTXHMON-UHFFFAOYSA-N 1 0 317.389 3.045 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000590053336 400351046 /nfs/dbraw/zinc/35/10/46/400351046.db2.gz RCKBHDAWYZUCGR-RLXIPRIJSA-N 1 0 316.401 3.357 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000611248555 400363880 /nfs/dbraw/zinc/36/38/80/400363880.db2.gz SRFAYHJQDSRNJP-MELADBBJSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc(NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1C ZINC000596279675 400370091 /nfs/dbraw/zinc/37/00/91/400370091.db2.gz ZPFFVSJXMPNAOV-UHFFFAOYSA-N 1 0 307.394 3.197 20 5 DGBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)[NH+](C)C ZINC000596431119 400413472 /nfs/dbraw/zinc/41/34/72/400413472.db2.gz MWXZDOSZOBNWAY-VIFPVBQESA-N 1 0 305.300 3.366 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000611516692 400414168 /nfs/dbraw/zinc/41/41/68/400414168.db2.gz XIVYEVACSCBDEC-LSDHHAIUSA-N 1 0 305.422 3.427 20 5 DGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000611413009 400395955 /nfs/dbraw/zinc/39/59/55/400395955.db2.gz UHRZBVVKPBRWAJ-CQSZACIVSA-N 1 0 317.414 3.367 20 5 DGBDRO O=[N+]([O-])c1ccsc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000611413764 400396240 /nfs/dbraw/zinc/39/62/40/400396240.db2.gz SEIHQCLVEAMSFI-DGCLKSJQSA-N 1 0 307.419 3.109 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000611433554 400401215 /nfs/dbraw/zinc/40/12/15/400401215.db2.gz MWGZOFSQWXIJBN-HNNXBMFYSA-N 1 0 319.405 3.142 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000072872255 400410437 /nfs/dbraw/zinc/41/04/37/400410437.db2.gz SGNSAGPXXMJSNL-TUAOUCFPSA-N 1 0 316.361 3.294 20 5 DGBDRO Cc1ccnc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596480414 400425538 /nfs/dbraw/zinc/42/55/38/400425538.db2.gz YVYXHOXJNMGMDD-ZDUSSCGKSA-N 1 0 304.394 3.117 20 5 DGBDRO CC(=O)c1cc(N[C@@H](C)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000596487184 400427195 /nfs/dbraw/zinc/42/71/95/400427195.db2.gz DSNQXBZKDWRJBI-ZDUSSCGKSA-N 1 0 319.405 3.330 20 5 DGBDRO CC[C@@H](COC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120222249 400444152 /nfs/dbraw/zinc/44/41/52/400444152.db2.gz JLBSUISXWQWEPG-ZDUSSCGKSA-N 1 0 304.346 3.369 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000596570052 400446574 /nfs/dbraw/zinc/44/65/74/400446574.db2.gz IGBPHGIILSMNRG-LBPRGKRZSA-N 1 0 324.812 3.177 20 5 DGBDRO COc1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596571267 400447679 /nfs/dbraw/zinc/44/76/79/400447679.db2.gz RSVJPSGGCZXLML-AWEZNQCLSA-N 1 0 319.405 3.137 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000121074554 400451537 /nfs/dbraw/zinc/45/15/37/400451537.db2.gz LKTUENCDCUCMJJ-HOTGVXAUSA-N 1 0 304.390 3.374 20 5 DGBDRO CC(C)(C)C[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611782548 400452496 /nfs/dbraw/zinc/45/24/96/400452496.db2.gz ODFFLGZPCSJMAF-UHFFFAOYSA-N 1 0 300.786 3.089 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602568917 400499414 /nfs/dbraw/zinc/49/94/14/400499414.db2.gz PGTPRUVQOFAANG-CZUORRHYSA-N 1 0 318.421 3.127 20 5 DGBDRO CC(C)CC[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000602448507 400465937 /nfs/dbraw/zinc/46/59/37/400465937.db2.gz VQBGGZCRNBOQRV-INIZCTEOSA-N 1 0 321.421 3.095 20 5 DGBDRO Cc1ccncc1[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000611939292 400465976 /nfs/dbraw/zinc/46/59/76/400465976.db2.gz HGPYLKJCPXRCBF-ZDUSSCGKSA-N 1 0 301.346 3.028 20 5 DGBDRO CO[C@@H](C)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602527731 400488314 /nfs/dbraw/zinc/48/83/14/400488314.db2.gz KOQSGUNLIMOVNH-VIFPVBQESA-N 1 0 306.284 3.128 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCCNc2ccccn2)cc1 ZINC000602536145 400491057 /nfs/dbraw/zinc/49/10/57/400491057.db2.gz ZPVYIDBVSGCDSC-UHFFFAOYSA-N 1 0 314.389 3.014 20 5 DGBDRO CS[C@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602548991 400494127 /nfs/dbraw/zinc/49/41/27/400494127.db2.gz ARIBNVVYICSGQB-JQWIXIFHSA-N 1 0 321.402 3.500 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)c(C(F)(F)F)c1 ZINC000044493490 400494275 /nfs/dbraw/zinc/49/42/75/400494275.db2.gz DLJXRESDQJYHCE-SECBINFHSA-N 1 0 303.284 3.168 20 5 DGBDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602548998 400494357 /nfs/dbraw/zinc/49/43/57/400494357.db2.gz ARIBNVVYICSGQB-ZYHUDNBSSA-N 1 0 321.402 3.500 20 5 DGBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602555548 400495167 /nfs/dbraw/zinc/49/51/67/400495167.db2.gz IIIMOUCXWZXHSS-ZDUSSCGKSA-N 1 0 320.311 3.110 20 5 DGBDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602552059 400495206 /nfs/dbraw/zinc/49/52/06/400495206.db2.gz RXLLWHMTUAQMTE-GFCCVEGCSA-N 1 0 320.311 3.254 20 5 DGBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602559604 400496547 /nfs/dbraw/zinc/49/65/47/400496547.db2.gz VHDZOYYZCNODHH-JTQLQIEISA-N 1 0 307.350 3.029 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCSC1 ZINC000602564906 400498003 /nfs/dbraw/zinc/49/80/03/400498003.db2.gz WKVMQQWXQMJIKT-SNVBAGLBSA-N 1 0 306.309 3.209 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000602783506 400571982 /nfs/dbraw/zinc/57/19/82/400571982.db2.gz ZXBCNYXPQHZIDN-CQSZACIVSA-N 1 0 318.377 3.310 20 5 DGBDRO C[NH+](C)CCc1ccccc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000602628182 400516708 /nfs/dbraw/zinc/51/67/08/400516708.db2.gz IMHACYAFYJZHTJ-UHFFFAOYSA-N 1 0 313.401 3.354 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCOc3c(F)cccc32)cc1 ZINC000602628263 400516749 /nfs/dbraw/zinc/51/67/49/400516749.db2.gz WIBSKBMYQQJODF-MRXNPFEDSA-N 1 0 316.332 3.390 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444784 400527026 /nfs/dbraw/zinc/52/70/26/400527026.db2.gz WGJFSYJRDXLGPY-RYUDHWBXSA-N 1 0 309.797 3.074 20 5 DGBDRO COCC(C)(C)CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668544 400531352 /nfs/dbraw/zinc/53/13/52/400531352.db2.gz WXSAHDNLCJHZKO-UHFFFAOYSA-N 1 0 321.377 3.278 20 5 DGBDRO COc1cccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000046055413 400547312 /nfs/dbraw/zinc/54/73/12/400547312.db2.gz WEGUEDCCAFVAHO-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)cs1 ZINC000618197907 400547446 /nfs/dbraw/zinc/54/74/46/400547446.db2.gz VOLUDVQZXXRQHH-ZDUSSCGKSA-N 1 0 304.371 3.009 20 5 DGBDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000591658930 400548885 /nfs/dbraw/zinc/54/88/85/400548885.db2.gz NERUIIXHZAUGCS-LBPRGKRZSA-N 1 0 323.824 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3C3CCC3)nc2c1 ZINC000618279265 400558372 /nfs/dbraw/zinc/55/83/72/400558372.db2.gz HNJZZOQWIHHKCF-OAHLLOKOSA-N 1 0 300.362 3.236 20 5 DGBDRO COCCC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000597182488 400580565 /nfs/dbraw/zinc/58/05/65/400580565.db2.gz CKMQUUADXHGKTK-UHFFFAOYSA-N 1 0 316.357 3.323 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000602764844 400567094 /nfs/dbraw/zinc/56/70/94/400567094.db2.gz ZSMHBRMAFVBXOJ-NWANDNLSSA-N 1 0 306.410 3.000 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000602765351 400567995 /nfs/dbraw/zinc/56/79/95/400567995.db2.gz JITJDFOSRXDGPW-NSHDSACASA-N 1 0 322.796 3.446 20 5 DGBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000047406569 400613924 /nfs/dbraw/zinc/61/39/24/400613924.db2.gz AOZRWGGSYSDLMC-UHFFFAOYSA-N 1 0 316.361 3.409 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997470 400624604 /nfs/dbraw/zinc/62/46/04/400624604.db2.gz KUQSHNKUPAJWMA-YCPHGPKFSA-N 1 0 324.808 3.374 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000597211686 400589568 /nfs/dbraw/zinc/58/95/68/400589568.db2.gz NOAGNAMSLIWNJJ-YOEHRIQHSA-N 1 0 304.390 3.187 20 5 DGBDRO C[C@H](O)C1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000597234369 400595068 /nfs/dbraw/zinc/59/50/68/400595068.db2.gz JXQLLUIJXBWEJV-NSHDSACASA-N 1 0 318.398 3.326 20 5 DGBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000602917821 400604824 /nfs/dbraw/zinc/60/48/24/400604824.db2.gz JXCUAIUYEYUIFL-ZIAGYGMSSA-N 1 0 301.346 3.317 20 5 DGBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592397813 400645244 /nfs/dbraw/zinc/64/52/44/400645244.db2.gz FSVOQJQWQOCGHU-CQDKDKBSSA-N 1 0 306.431 3.400 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000592396758 400645864 /nfs/dbraw/zinc/64/58/64/400645864.db2.gz KAIBRMARXLVXIK-QEORTHHSSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@H]1CC2(C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592527225 400665335 /nfs/dbraw/zinc/66/53/35/400665335.db2.gz MTLOLJCUCSICCC-DRDHIDPGSA-N 1 0 316.401 3.499 20 5 DGBDRO CC(C)Cn1nccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000592510902 400660275 /nfs/dbraw/zinc/66/02/75/400660275.db2.gz IPOGPFDLAYRIDK-UHFFFAOYSA-N 1 0 316.405 3.122 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000603250697 400660666 /nfs/dbraw/zinc/66/06/66/400660666.db2.gz LEVSAIWTXJCNFI-IAQYHMDHSA-N 1 0 317.393 3.150 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000618723686 400675363 /nfs/dbraw/zinc/67/53/63/400675363.db2.gz LTUUBFJRUFVLPG-UHFFFAOYSA-N 1 0 323.352 3.312 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000157710646 400719947 /nfs/dbraw/zinc/71/99/47/400719947.db2.gz OBHDCGWKDVWICS-DZGCQCFKSA-N 1 0 303.406 3.038 20 5 DGBDRO Cc1nccc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603834277 400720800 /nfs/dbraw/zinc/72/08/00/400720800.db2.gz OHUUDJVGESFFPT-HNNXBMFYSA-N 1 0 312.373 3.073 20 5 DGBDRO CC(C)[C@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000603850785 400723228 /nfs/dbraw/zinc/72/32/28/400723228.db2.gz CYGULVPYJWPTAY-HNNXBMFYSA-N 1 0 306.410 3.158 20 5 DGBDRO CC(C)[C@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000603845643 400723256 /nfs/dbraw/zinc/72/32/56/400723256.db2.gz CTNLPSGWNGTSTN-HNNXBMFYSA-N 1 0 306.410 3.302 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000164823326 400750958 /nfs/dbraw/zinc/75/09/58/400750958.db2.gz IGASXRRRFOKQSR-CYBMUJFWSA-N 1 0 307.394 3.352 20 5 DGBDRO CCC[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000164823417 400750979 /nfs/dbraw/zinc/75/09/79/400750979.db2.gz IGASXRRRFOKQSR-ZDUSSCGKSA-N 1 0 307.394 3.352 20 5 DGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000052000565 400713350 /nfs/dbraw/zinc/71/33/50/400713350.db2.gz HSQGWMIDMJBBJR-UHFFFAOYSA-N 1 0 300.358 3.148 20 5 DGBDRO Cc1cc([C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)on1 ZINC000052010381 400713576 /nfs/dbraw/zinc/71/35/76/400713576.db2.gz FGNKQIHXBJJHRN-HNNXBMFYSA-N 1 0 317.345 3.107 20 5 DGBDRO C[C@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000613425789 400715366 /nfs/dbraw/zinc/71/53/66/400715366.db2.gz KULFXDOZXIVRJN-UUNORDMYSA-N 1 0 316.401 3.403 20 5 DGBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000171842880 400807471 /nfs/dbraw/zinc/80/74/71/400807471.db2.gz HDBLLPANKVSWHE-KRWDZBQOSA-N 1 0 318.373 3.351 20 5 DGBDRO CC(C)c1ccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593315570 400817235 /nfs/dbraw/zinc/81/72/35/400817235.db2.gz LXVBLUMWFRHDJV-YJBOKZPZSA-N 1 0 317.433 3.279 20 5 DGBDRO C[C@H](CO)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000593085829 400758773 /nfs/dbraw/zinc/75/87/73/400758773.db2.gz YCXHFFLNIBDAOO-LLVKDONJSA-N 1 0 312.797 3.089 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000604482912 400779191 /nfs/dbraw/zinc/77/91/91/400779191.db2.gz NEMIKLILNXUOPO-UHFFFAOYSA-N 1 0 321.396 3.436 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000619611320 400872847 /nfs/dbraw/zinc/87/28/47/400872847.db2.gz LXTWAOAAMIKPHB-MRXNPFEDSA-N 1 0 313.357 3.036 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H](CC)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000619481827 400854931 /nfs/dbraw/zinc/85/49/31/400854931.db2.gz LFGYLIKKLNSPGS-AWEZNQCLSA-N 1 0 319.405 3.474 20 5 DGBDRO O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1ccc([N+](=O)[O-])o1 ZINC000619582097 400869437 /nfs/dbraw/zinc/86/94/37/400869437.db2.gz XKDMWODGTINRON-UHFFFAOYSA-N 1 0 324.296 3.001 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCOC1 ZINC000599054555 400941726 /nfs/dbraw/zinc/94/17/26/400941726.db2.gz BQJGPXITIMUQEU-CABCVRRESA-N 1 0 306.406 3.322 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCCOC1)CCC2 ZINC000599057356 400943168 /nfs/dbraw/zinc/94/31/68/400943168.db2.gz MWVYCILUKOYNSK-SUMWQHHRSA-N 1 0 304.390 3.379 20 5 DGBDRO CCC[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)OCC ZINC000599057962 400943320 /nfs/dbraw/zinc/94/33/20/400943320.db2.gz DHDICTYJPDZBRX-TZMCWYRMSA-N 1 0 310.394 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)CCC(C)C ZINC000599067524 400948446 /nfs/dbraw/zinc/94/84/46/400948446.db2.gz FKUJNFGCFBFFFV-CHWSQXEVSA-N 1 0 310.394 3.051 20 5 DGBDRO CC(C)CC[C@@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000599068792 400948871 /nfs/dbraw/zinc/94/88/71/400948871.db2.gz PINXHXHCXYNZPN-ZBFHGGJFSA-N 1 0 308.422 3.303 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000599068300 400949236 /nfs/dbraw/zinc/94/92/36/400949236.db2.gz MFBMWPDYFMMSEZ-UKRRQHHQSA-N 1 0 324.421 3.441 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)C1CC1 ZINC000599085688 400955386 /nfs/dbraw/zinc/95/53/86/400955386.db2.gz VDNCQKBZYXXROX-SOLBZPMBSA-N 1 0 316.401 3.073 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599073124 400949772 /nfs/dbraw/zinc/94/97/72/400949772.db2.gz LHGCFHFHOJKUIN-CQSZACIVSA-N 1 0 314.389 3.064 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)CCF)s2)cc1 ZINC000593689753 400892077 /nfs/dbraw/zinc/89/20/77/400892077.db2.gz REOFAPBIAMYDER-GFCCVEGCSA-N 1 0 324.377 3.133 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)CCF)s2)cc1 ZINC000593689754 400892594 /nfs/dbraw/zinc/89/25/94/400892594.db2.gz REOFAPBIAMYDER-LBPRGKRZSA-N 1 0 324.377 3.133 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000594027583 400951811 /nfs/dbraw/zinc/95/18/11/400951811.db2.gz WPQVFDJNCGHCPO-QGZVFWFLSA-N 1 0 304.390 3.171 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594026182 400951896 /nfs/dbraw/zinc/95/18/96/400951896.db2.gz FHHFFQZLUAYFBP-KRWDZBQOSA-N 1 0 320.389 3.007 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CC3(CCC3)C2)n1 ZINC000593722178 400899273 /nfs/dbraw/zinc/89/92/73/400899273.db2.gz VFWFUJGCJQXTSW-ZIAGYGMSSA-N 1 0 304.394 3.197 20 5 DGBDRO Cc1ncc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000055904358 400900468 /nfs/dbraw/zinc/90/04/68/400900468.db2.gz CTMMAXPMQPYVRO-UHFFFAOYSA-N 1 0 321.402 3.261 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026513 400952467 /nfs/dbraw/zinc/95/24/67/400952467.db2.gz LCPUZJWETDSULQ-HNNXBMFYSA-N 1 0 320.389 3.007 20 5 DGBDRO CCc1ccc([C@H]([NH2+]CC2COC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599082155 400953651 /nfs/dbraw/zinc/95/36/51/400953651.db2.gz RNGHBSQOOVAGCX-QGZVFWFLSA-N 1 0 316.357 3.076 20 5 DGBDRO Cn1cc(C[NH2+]CC2CC=CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598992445 400923332 /nfs/dbraw/zinc/92/33/32/400923332.db2.gz OBSWRMQZKGSVIP-UHFFFAOYSA-N 1 0 312.373 3.051 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[C@@H](O)C3)s2)cc1 ZINC000599006373 400927017 /nfs/dbraw/zinc/92/70/17/400927017.db2.gz HPDOSCSOWAJLKB-VDISTLRHSA-N 1 0 318.398 3.184 20 5 DGBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000599018359 400927622 /nfs/dbraw/zinc/92/76/22/400927622.db2.gz WJUDGGMRMFXIOB-DRQUAOQDSA-N 1 0 316.357 3.369 20 5 DGBDRO COc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599020481 400928496 /nfs/dbraw/zinc/92/84/96/400928496.db2.gz RBPXRLJXMPQEKP-QGZVFWFLSA-N 1 0 313.357 3.239 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599031609 400933199 /nfs/dbraw/zinc/93/31/99/400933199.db2.gz GIYKOUNAYLXSIM-ZDUSSCGKSA-N 1 0 300.362 3.038 20 5 DGBDRO Cc1cc(N2CCO[C@H](CCF)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599169208 400983322 /nfs/dbraw/zinc/98/33/22/400983322.db2.gz ROHFFANRTBGUHB-CYBMUJFWSA-N 1 0 319.336 3.016 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599089066 400956701 /nfs/dbraw/zinc/95/67/01/400956701.db2.gz XAROWZSZFCTXRP-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO C[NH+](C)C1CCC(Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599090156 400956732 /nfs/dbraw/zinc/95/67/32/400956732.db2.gz JWHKXSRGNCTQFB-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000599093118 400958888 /nfs/dbraw/zinc/95/88/88/400958888.db2.gz VVERCBCODVQDBQ-XJNFMUPTSA-N 1 0 318.417 3.321 20 5 DGBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)cc1[N+](=O)[O-] ZINC000080653650 400974678 /nfs/dbraw/zinc/97/46/78/400974678.db2.gz FSYNHFDNUOCZNI-NEPJUHHUSA-N 1 0 309.797 3.230 20 5 DGBDRO CC(=O)c1ccc(NC[C@@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000058610957 401063204 /nfs/dbraw/zinc/06/32/04/401063204.db2.gz HRNAMYDUNULJQT-KRWDZBQOSA-N 1 0 319.405 3.330 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552480 401075441 /nfs/dbraw/zinc/07/54/41/401075441.db2.gz DMZUEFDDNUJLNI-CABCVRRESA-N 1 0 322.430 3.463 20 5 DGBDRO CC[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCC1 ZINC000594493839 401077992 /nfs/dbraw/zinc/07/79/92/401077992.db2.gz NJXFDILRPXPGAQ-BBRMVZONSA-N 1 0 303.406 3.046 20 5 DGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1(C)COC1 ZINC000599573505 401078592 /nfs/dbraw/zinc/07/85/92/401078592.db2.gz QXJKDCFKAMLLSR-UHFFFAOYSA-N 1 0 318.295 3.082 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000594497423 401081003 /nfs/dbraw/zinc/08/10/03/401081003.db2.gz AGRZYBIMHWCXDI-HOTGVXAUSA-N 1 0 316.332 3.044 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000060089768 401100972 /nfs/dbraw/zinc/10/09/72/401100972.db2.gz LVDWVIMEBZKPRD-AWEZNQCLSA-N 1 0 319.405 3.496 20 5 DGBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000599656999 401104486 /nfs/dbraw/zinc/10/44/86/401104486.db2.gz AHXXKUVKLIXSMV-QGZVFWFLSA-N 1 0 321.421 3.144 20 5 DGBDRO O=C(CC[N@@H+]1CCCC2(CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599672476 401108080 /nfs/dbraw/zinc/10/80/80/401108080.db2.gz HERJMKFSZDPOJW-UHFFFAOYSA-N 1 0 317.389 3.190 20 5 DGBDRO CSCC[C@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083199215 401114323 /nfs/dbraw/zinc/11/43/23/401114323.db2.gz LWTIVCAUYMOBER-JTQLQIEISA-N 1 0 309.391 3.309 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594599960 401125218 /nfs/dbraw/zinc/12/52/18/401125218.db2.gz KUTRQYUYDDRICV-UKRRQHHQSA-N 1 0 305.378 3.032 20 5 DGBDRO CC(=O)c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594600554 401125876 /nfs/dbraw/zinc/12/58/76/401125876.db2.gz MBLYXTPKNQISAM-GOEBONIOSA-N 1 0 317.389 3.226 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(F)c(F)c2)c(F)c1 ZINC000615727576 401143814 /nfs/dbraw/zinc/14/38/14/401143814.db2.gz GOLRXMDZXLRWAY-UHFFFAOYSA-N 1 0 310.275 3.344 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000251937152 401093680 /nfs/dbraw/zinc/09/36/80/401093680.db2.gz VTZDGXFHGXIOTO-WFGGJUAMSA-N 1 0 319.405 3.336 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000594518915 401095828 /nfs/dbraw/zinc/09/58/28/401095828.db2.gz QWDNDRHAOOULFH-ZDUSSCGKSA-N 1 0 315.373 3.109 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000615835327 401160568 /nfs/dbraw/zinc/16/05/68/401160568.db2.gz IWEBOUKARWVKDI-YVGNARHYSA-N 1 0 304.390 3.093 20 5 DGBDRO CC[N@@H+]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000615835313 401160770 /nfs/dbraw/zinc/16/07/70/401160770.db2.gz ISOVGUGJICBBAI-BAAYTWLHSA-N 1 0 303.406 3.024 20 5 DGBDRO CCc1ccc(C)[nH+]c1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594743635 401167091 /nfs/dbraw/zinc/16/70/91/401167091.db2.gz UHMCEUFPWOGKFO-UHFFFAOYSA-N 1 0 301.346 3.481 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(C)CCOCC2)cc1[N+](=O)[O-] ZINC000358253309 286011617 /nfs/dbraw/zinc/01/16/17/286011617.db2.gz WRCMBVDNVUOVOR-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(C2CC2)o1 ZINC000600160499 401200842 /nfs/dbraw/zinc/20/08/42/401200842.db2.gz TUQNBIHFPIBNCV-UHFFFAOYSA-N 1 0 301.346 3.135 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnn2CC2CC2)cc1[N+](=O)[O-] ZINC000594941827 401201229 /nfs/dbraw/zinc/20/12/29/401201229.db2.gz VANMGELBKHMXIL-CYBMUJFWSA-N 1 0 314.389 3.361 20 5 DGBDRO CCC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000089580682 401226509 /nfs/dbraw/zinc/22/65/09/401226509.db2.gz PLMMWAGEEYMVQB-MRXNPFEDSA-N 1 0 315.373 3.500 20 5 DGBDRO COCCC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000600187986 401215382 /nfs/dbraw/zinc/21/53/82/401215382.db2.gz IHQGTZGBHIFIIN-XQRVVYSFSA-N 1 0 304.390 3.357 20 5 DGBDRO CN(CC[N@H+](C)C1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000063248152 401183470 /nfs/dbraw/zinc/18/34/70/401183470.db2.gz RYPPLCYCFCVEED-UHFFFAOYSA-N 1 0 309.385 3.435 20 5 DGBDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000615939704 401185325 /nfs/dbraw/zinc/18/53/25/401185325.db2.gz UDUVUEBSWBRRBU-CZUORRHYSA-N 1 0 316.405 3.419 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)Cc1ccccc1 ZINC000090656205 401271484 /nfs/dbraw/zinc/27/14/84/401271484.db2.gz NTPWQNIUBSMYTK-PMUMKWKESA-N 1 0 314.385 3.238 20 5 DGBDRO CC(=O)c1ccc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000065586753 401272058 /nfs/dbraw/zinc/27/20/58/401272058.db2.gz YANNCHFDJNNUJU-OLZOCXBDSA-N 1 0 319.405 3.330 20 5 DGBDRO CCOC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000595010277 401230115 /nfs/dbraw/zinc/23/01/15/401230115.db2.gz GAZDMOXWNLHQFT-UHFFFAOYSA-N 1 0 308.378 3.041 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(CCO)CCCC1 ZINC000595013386 401231732 /nfs/dbraw/zinc/23/17/32/401231732.db2.gz QHABQIDKYLAWEW-ZDUSSCGKSA-N 1 0 322.405 3.197 20 5 DGBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090065276 401252469 /nfs/dbraw/zinc/25/24/69/401252469.db2.gz FUWZXKMNFKHIID-UHFFFAOYSA-N 1 0 300.362 3.020 20 5 DGBDRO CC(C)C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000065962621 401288123 /nfs/dbraw/zinc/28/81/23/401288123.db2.gz NAHQQZRXDMELIS-SNVBAGLBSA-N 1 0 313.785 3.163 20 5 DGBDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000358512988 286081237 /nfs/dbraw/zinc/08/12/37/286081237.db2.gz UWKGMUWTLPZSCG-LBPRGKRZSA-N 1 0 315.373 3.412 20 5 DGBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000359951820 286395881 /nfs/dbraw/zinc/39/58/81/286395881.db2.gz FGWFULCNTXUSAS-GXTWGEPZSA-N 1 0 307.369 3.105 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000360668661 286517862 /nfs/dbraw/zinc/51/78/62/286517862.db2.gz IUHJKTWSSFNIMM-YRGRVCCFSA-N 1 0 306.410 3.077 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000360677150 286519469 /nfs/dbraw/zinc/51/94/69/286519469.db2.gz VTJRLDLURARCJR-CHWSQXEVSA-N 1 0 306.410 3.078 20 5 DGBDRO CCOc1cccc(N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000302086479 286573077 /nfs/dbraw/zinc/57/30/77/286573077.db2.gz FCHSYNMNAQBVFS-AWEZNQCLSA-N 1 0 319.405 3.058 20 5 DGBDRO Cc1ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000363847234 286964829 /nfs/dbraw/zinc/96/48/29/286964829.db2.gz MPVYOYSQKKRJGL-MRXNPFEDSA-N 1 0 304.390 3.152 20 5 DGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000186669756 165054324 /nfs/dbraw/zinc/05/43/24/165054324.db2.gz ODEFBWOIKHRVQI-INIZCTEOSA-N 1 0 308.378 3.052 20 5 DGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000191486202 165253084 /nfs/dbraw/zinc/25/30/84/165253084.db2.gz ZJZMLRNHRJRXSW-GOSISDBHSA-N 1 0 314.385 3.284 20 5 DGBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000191663512 165262861 /nfs/dbraw/zinc/26/28/61/165262861.db2.gz BUKJAJPKCDRHIB-INIZCTEOSA-N 1 0 310.369 3.107 20 5 DGBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1Br ZINC000230971972 165398010 /nfs/dbraw/zinc/39/80/10/165398010.db2.gz URIXPUNUKAFIIK-UHFFFAOYSA-N 1 0 316.199 3.157 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000365401998 287128290 /nfs/dbraw/zinc/12/82/90/287128290.db2.gz ICGVSBYDYFMMOW-AWEZNQCLSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000249136813 165669576 /nfs/dbraw/zinc/66/95/76/165669576.db2.gz VOIXTUKJOVJGNN-DIECFANBSA-N 1 0 318.417 3.057 20 5 DGBDRO [NH3+]C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C1CCCC1 ZINC000261813623 165751901 /nfs/dbraw/zinc/75/19/01/165751901.db2.gz ABCWGPQYOAKDOM-OAHLLOKOSA-N 1 0 300.362 3.072 20 5 DGBDRO CCc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365516642 287140889 /nfs/dbraw/zinc/14/08/89/287140889.db2.gz SOHDREAISCOFTR-UHFFFAOYSA-N 1 0 314.389 3.191 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000129404595 196045671 /nfs/dbraw/zinc/04/56/71/196045671.db2.gz PVDGZDGMSZGNDX-GFCCVEGCSA-N 1 0 314.341 3.483 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246868140 432174457 /nfs/dbraw/zinc/17/44/57/432174457.db2.gz CICTXUUEQORAOA-HUUCEWRRSA-N 1 0 305.422 3.366 20 5 DGBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000269629332 432189884 /nfs/dbraw/zinc/18/98/84/432189884.db2.gz HGNMHAUWXFXJLM-ZDUSSCGKSA-N 1 0 300.786 3.087 20 5 DGBDRO CC(C)[N@@H+](Cc1ccco1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269645829 432191100 /nfs/dbraw/zinc/19/11/00/432191100.db2.gz KWFOAWSMKIBIAJ-INIZCTEOSA-N 1 0 304.346 3.132 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269649114 432191673 /nfs/dbraw/zinc/19/16/73/432191673.db2.gz QAQYRYSGDFWQQW-LLVKDONJSA-N 1 0 313.348 3.041 20 5 DGBDRO CC(C)[N@@H+](Cc1ccco1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269645832 432191904 /nfs/dbraw/zinc/19/19/04/432191904.db2.gz KWFOAWSMKIBIAJ-MRXNPFEDSA-N 1 0 304.346 3.132 20 5 DGBDRO Cc1c([C@H](C)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000247037737 432194521 /nfs/dbraw/zinc/19/45/21/432194521.db2.gz LPNLLLOYIKHTRS-RRFJBIMHSA-N 1 0 305.422 3.427 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000247096668 432201511 /nfs/dbraw/zinc/20/15/11/432201511.db2.gz XSYGAJMXPPUFCU-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000269793699 432209171 /nfs/dbraw/zinc/20/91/71/432209171.db2.gz GYBWZHSSWFWSEZ-MTCRFPMVSA-N 1 0 324.380 3.032 20 5 DGBDRO C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000151035514 432213496 /nfs/dbraw/zinc/21/34/96/432213496.db2.gz JOHQDYOMYJYBTE-HNNXBMFYSA-N 1 0 313.401 3.377 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000182738996 432224282 /nfs/dbraw/zinc/22/42/82/432224282.db2.gz NBBQQSAEMFXABE-ZBFHGGJFSA-N 1 0 303.406 3.134 20 5 DGBDRO CC[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000290941534 222016706 /nfs/dbraw/zinc/01/67/06/222016706.db2.gz PZHTUEAGGKSSKN-JTQLQIEISA-N 1 0 307.177 3.416 20 5 DGBDRO CO[C@](C)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000291152072 222176502 /nfs/dbraw/zinc/17/65/02/222176502.db2.gz ILCKCUPMYDCDFH-FUHWJXTLSA-N 1 0 318.417 3.321 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000162500648 228257988 /nfs/dbraw/zinc/25/79/88/228257988.db2.gz OCHCQQAZTNPKHZ-GFCCVEGCSA-N 1 0 322.409 3.001 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173874997 228285252 /nfs/dbraw/zinc/28/52/52/228285252.db2.gz BMRQYMOZZDPUNA-AWEZNQCLSA-N 1 0 321.396 3.042 20 5 DGBDRO Cc1nc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301649851 229797850 /nfs/dbraw/zinc/79/78/50/229797850.db2.gz PMHJBSHKUFKBPD-HNNXBMFYSA-N 1 0 318.352 3.152 20 5 DGBDRO Cc1cc(NCC[NH+]2CCCCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302005206 230031852 /nfs/dbraw/zinc/03/18/52/230031852.db2.gz KRRKPDNVTZFWQL-UHFFFAOYSA-N 1 0 314.389 3.349 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000413067901 230124821 /nfs/dbraw/zinc/12/48/21/230124821.db2.gz XHRLWTPXGVNCQD-ZIAGYGMSSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1cc(NC[C@H]2CCCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302158070 230132143 /nfs/dbraw/zinc/13/21/43/230132143.db2.gz JDZRRECBMAYBMN-CYBMUJFWSA-N 1 0 301.346 3.432 20 5 DGBDRO C[C@@H]1C[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000413187548 230149762 /nfs/dbraw/zinc/14/97/62/230149762.db2.gz RNKICHPOAWDGQB-YPMHNXCESA-N 1 0 312.373 3.180 20 5 DGBDRO CN(CC1([NH+](C)C)CCC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000302510990 230275996 /nfs/dbraw/zinc/27/59/96/230275996.db2.gz SPWQHVSEELAQJO-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1cc(N[C@H]2C[C@@H](O)C2(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302543865 230292080 /nfs/dbraw/zinc/29/20/80/230292080.db2.gz UFJXHEMXKOMWPK-LSDHHAIUSA-N 1 0 301.346 3.023 20 5 DGBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176269835 263547262 /nfs/dbraw/zinc/54/72/62/263547262.db2.gz XVTSVGCDSSPJCU-INIZCTEOSA-N 1 0 316.405 3.053 20 5 DGBDRO CCc1ccc([C@@H]([NH2+]CC(C)(C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346562752 264054327 /nfs/dbraw/zinc/05/43/27/264054327.db2.gz RDCPSXGWSXCTBE-INIZCTEOSA-N 1 0 318.373 3.200 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCC1 ZINC000346873207 264112600 /nfs/dbraw/zinc/11/26/00/264112600.db2.gz ZIJVZDBLUDIKOQ-CYBMUJFWSA-N 1 0 324.446 3.218 20 5 DGBDRO CCN(CC[NH+]1CCCCCC1)Cc1csc([N+](=O)[O-])c1 ZINC000347314182 264195556 /nfs/dbraw/zinc/19/55/56/264195556.db2.gz NTVSMPHWYAJGTA-UHFFFAOYSA-N 1 0 311.451 3.354 20 5 DGBDRO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1cnn(C)c1 ZINC000347360119 264206115 /nfs/dbraw/zinc/20/61/15/264206115.db2.gz OIYNATHOKCYJSY-ZSOIEALJSA-N 1 0 314.389 3.254 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000347683480 264266400 /nfs/dbraw/zinc/26/64/00/264266400.db2.gz DUWHJVZXRCALCW-LAQFHYBYSA-N 1 0 319.405 3.338 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3(CO)CCCC3)o2)c1 ZINC000347831765 264291019 /nfs/dbraw/zinc/29/10/19/264291019.db2.gz MSSMIPAIRYALKN-UHFFFAOYSA-N 1 0 316.357 3.250 20 5 DGBDRO [NH3+]CCN(C[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000348896812 264466555 /nfs/dbraw/zinc/46/65/55/264466555.db2.gz UFALZWVGRSQFQG-JKSUJKDBSA-N 1 0 311.385 3.164 20 5 DGBDRO CC[C@@H](CCO)[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000349201416 264498208 /nfs/dbraw/zinc/49/82/08/264498208.db2.gz KQJKSNPLCCTRNK-STQMWFEESA-N 1 0 312.435 3.216 20 5 DGBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000352053146 264912309 /nfs/dbraw/zinc/91/23/09/264912309.db2.gz QUMQRPCGNUKLIV-CVEARBPZSA-N 1 0 321.421 3.329 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000352362532 265016523 /nfs/dbraw/zinc/01/65/23/265016523.db2.gz VYQLZVFRVKREQL-HUUCEWRRSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1Cc3ccccc31)CCO2 ZINC000352709020 265137722 /nfs/dbraw/zinc/13/77/22/265137722.db2.gz ISODWXNHUDKZNW-AWEZNQCLSA-N 1 0 310.353 3.129 20 5 DGBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC000352927013 265234124 /nfs/dbraw/zinc/23/41/24/265234124.db2.gz IWUMYOZCDHQZKV-OAHLLOKOSA-N 1 0 303.337 3.412 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000355191265 265991927 /nfs/dbraw/zinc/99/19/27/265991927.db2.gz ZJYKSASICIYHBI-JKSUJKDBSA-N 1 0 304.390 3.374 20 5 DGBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC(C)(C)C1 ZINC000355583568 266122265 /nfs/dbraw/zinc/12/22/65/266122265.db2.gz NLWKQXHBKHNTLZ-CQSZACIVSA-N 1 0 320.389 3.472 20 5 DGBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000355601513 266129415 /nfs/dbraw/zinc/12/94/15/266129415.db2.gz SIYNPVLGBHVCJT-ZDUSSCGKSA-N 1 0 322.409 3.063 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191292980 432245708 /nfs/dbraw/zinc/24/57/08/432245708.db2.gz CRDQYQPQMQMFAS-SMDDNHRTSA-N 1 0 305.378 3.090 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC1(C)C ZINC000191300603 432247439 /nfs/dbraw/zinc/24/74/39/432247439.db2.gz AKXFAWVZXXZYIR-OAHLLOKOSA-N 1 0 319.405 3.400 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C(C)C)C(C)C ZINC000183017693 432250540 /nfs/dbraw/zinc/25/05/40/432250540.db2.gz DZNHHMIWZVWHBS-UHFFFAOYSA-N 1 0 323.393 3.051 20 5 DGBDRO C[C@@H]1COCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000359882210 271008835 /nfs/dbraw/zinc/00/88/35/271008835.db2.gz VKBKEQGFMJYLAJ-ZDUSSCGKSA-N 1 0 316.357 3.323 20 5 DGBDRO CCOc1cccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000368601398 271177932 /nfs/dbraw/zinc/17/79/32/271177932.db2.gz FTMZTADAASZALC-QWHCGFSZSA-N 1 0 305.378 3.032 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](OCC2CC2)C1 ZINC000368786202 271207485 /nfs/dbraw/zinc/20/74/85/271207485.db2.gz JBWXYUKXYGHRTL-OAHLLOKOSA-N 1 0 308.353 3.125 20 5 DGBDRO COC[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000369260727 271256003 /nfs/dbraw/zinc/25/60/03/271256003.db2.gz XMQNVGQQKQEUGE-LBPRGKRZSA-N 1 0 312.797 3.497 20 5 DGBDRO CCOc1ccc(NC(=O)C[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000183020876 432250846 /nfs/dbraw/zinc/25/08/46/432250846.db2.gz ADHVPKXFOBHVDS-UHFFFAOYSA-N 1 0 323.393 3.051 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000270540093 432256204 /nfs/dbraw/zinc/25/62/04/432256204.db2.gz XKFRMGBCSASLJG-USXIJHARSA-N 1 0 316.401 3.075 20 5 DGBDRO C[NH+](C)C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000264942396 273798841 /nfs/dbraw/zinc/79/88/41/273798841.db2.gz IOKKAOLUIGFMSB-JTQLQIEISA-N 1 0 317.311 3.002 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000277182155 273816463 /nfs/dbraw/zinc/81/64/63/273816463.db2.gz NOICYVFTENYXDM-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO COC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000452107400 274046049 /nfs/dbraw/zinc/04/60/49/274046049.db2.gz SNXFJKANYHGQNT-GFCCVEGCSA-N 1 0 312.797 3.497 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000266227991 274117856 /nfs/dbraw/zinc/11/78/56/274117856.db2.gz IYASCNWLVCZALH-AWEZNQCLSA-N 1 0 319.405 3.058 20 5 DGBDRO C[C@@H]([N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(C)CC1 ZINC000177214172 274233912 /nfs/dbraw/zinc/23/39/12/274233912.db2.gz PKKZBTKNUPVSLK-LLVKDONJSA-N 1 0 306.362 3.082 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266921614 274278101 /nfs/dbraw/zinc/27/81/01/274278101.db2.gz MGPQRAVCPHFOFW-QWHCGFSZSA-N 1 0 300.362 3.259 20 5 DGBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000332212223 274294818 /nfs/dbraw/zinc/29/48/18/274294818.db2.gz VYENYVPWHIKGKE-NTZNESFSSA-N 1 0 302.378 3.385 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)(C)C1 ZINC000266905086 274357699 /nfs/dbraw/zinc/35/76/99/274357699.db2.gz BBNNKYXETJYPCV-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H](C)[N@H+]1C ZINC000338796370 274364261 /nfs/dbraw/zinc/36/42/61/274364261.db2.gz SALJKVAWNNLOSC-AOOOYVTPSA-N 1 0 317.311 3.142 20 5 DGBDRO C[C@H]([NH3+])C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420220178 274501844 /nfs/dbraw/zinc/50/18/44/274501844.db2.gz PJWQXAACBQKDCT-QMMMGPOBSA-N 1 0 318.204 3.465 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccccc1)[NH+](C)C ZINC000078571497 274724639 /nfs/dbraw/zinc/72/46/39/274724639.db2.gz JYDYZXJTVOPLOQ-OAHLLOKOSA-N 1 0 300.362 3.013 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000268939533 274759587 /nfs/dbraw/zinc/75/95/87/274759587.db2.gz SQDQTEZBXVLPCL-BJOOFOGMSA-N 1 0 312.369 3.212 20 5 DGBDRO COc1cc(NC[C@H](c2ccco2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000270574925 432259818 /nfs/dbraw/zinc/25/98/18/432259818.db2.gz QFWHENYFCGDVNL-CYBMUJFWSA-N 1 0 323.324 3.050 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1CCCCCC1)CCC2 ZINC000447527056 275038330 /nfs/dbraw/zinc/03/83/30/275038330.db2.gz DVYXBDXZLDRQRP-GOSISDBHSA-N 1 0 317.433 3.438 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134873019 275039902 /nfs/dbraw/zinc/03/99/02/275039902.db2.gz JJJLIPVWPSIKIR-RHSMWYFYSA-N 1 0 315.417 3.044 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000179141090 275040121 /nfs/dbraw/zinc/04/01/21/275040121.db2.gz WIDUYNMHEGTJNX-IGBMMGQUSA-N 1 0 316.401 3.216 20 5 DGBDRO CC(C)[C@@H](CCO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433291899 275668522 /nfs/dbraw/zinc/66/85/22/275668522.db2.gz VVLLPLUJVXCEIN-CVEARBPZSA-N 1 0 306.406 3.314 20 5 DGBDRO CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433125517 275692803 /nfs/dbraw/zinc/69/28/03/275692803.db2.gz KTUVOINRBQJLNR-WBVHZDCISA-N 1 0 306.406 3.314 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433304379 275869057 /nfs/dbraw/zinc/86/90/57/275869057.db2.gz NAJSTNWUXWEEHD-IKGGRYGDSA-N 1 0 316.401 3.474 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415134939 276052889 /nfs/dbraw/zinc/05/28/89/276052889.db2.gz WNHBPHSGSVNJOW-DZGCQCFKSA-N 1 0 305.422 3.135 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000470857437 429711777 /nfs/dbraw/zinc/71/17/77/429711777.db2.gz CRVBLLSIKJFWHM-AWEZNQCLSA-N 1 0 306.410 3.365 20 5 DGBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000179892729 277329807 /nfs/dbraw/zinc/32/98/07/277329807.db2.gz OKNICBHYZLLAAW-CQSZACIVSA-N 1 0 320.389 3.246 20 5 DGBDRO CO[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000450766981 277658792 /nfs/dbraw/zinc/65/87/92/277658792.db2.gz TZZWQVMXALLQNM-APPDUMDISA-N 1 0 315.373 3.313 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296152096 278274939 /nfs/dbraw/zinc/27/49/39/278274939.db2.gz WADMMCVHHAHRAO-UFGOTCBOSA-N 1 0 318.295 3.355 20 5 DGBDRO C[C@@H]([NH3+])C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420220175 278305095 /nfs/dbraw/zinc/30/50/95/278305095.db2.gz PJWQXAACBQKDCT-MRVPVSSYSA-N 1 0 318.204 3.465 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000122316932 278371117 /nfs/dbraw/zinc/37/11/17/278371117.db2.gz POGXCMGZWYJDCP-IAQYHMDHSA-N 1 0 300.362 3.057 20 5 DGBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193007532 278391043 /nfs/dbraw/zinc/39/10/43/278391043.db2.gz MVYISJCWDAWILF-MLGOLLRUSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000262894241 278840227 /nfs/dbraw/zinc/84/02/27/278840227.db2.gz XDFYNFHVQOSCRS-ACJLOTCBSA-N 1 0 319.408 3.116 20 5 DGBDRO Cn1ccnc1[C@H]([NH2+]C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272521991 279378049 /nfs/dbraw/zinc/37/80/49/279378049.db2.gz LLHZGOJIFBLBPP-MRXNPFEDSA-N 1 0 314.389 3.340 20 5 DGBDRO CC(C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000111385906 431219210 /nfs/dbraw/zinc/21/92/10/431219210.db2.gz GNIWLFGOQPAXLS-UHFFFAOYSA-N 1 0 324.764 3.369 20 5 DGBDRO CC[C@@]1(C)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072803154 431350978 /nfs/dbraw/zinc/35/09/78/431350978.db2.gz JPDCPWQFYGAIDI-KRWDZBQOSA-N 1 0 319.405 3.436 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000117394843 431560348 /nfs/dbraw/zinc/56/03/48/431560348.db2.gz FDGZPZOXHJZMPP-OLZOCXBDSA-N 1 0 310.419 3.367 20 5 DGBDRO CCSCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000337435838 280035932 /nfs/dbraw/zinc/03/59/32/280035932.db2.gz WONPNVXBDJAFHL-QWHCGFSZSA-N 1 0 312.439 3.008 20 5 DGBDRO C[C@]1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000417309936 280159355 /nfs/dbraw/zinc/15/93/55/280159355.db2.gz JJUZIMLBOYXIPY-DLBZAZTESA-N 1 0 304.390 3.379 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCCO1)C1CC1 ZINC000156388018 280374751 /nfs/dbraw/zinc/37/47/51/280374751.db2.gz PDKFIAJEQPIITC-HOTGVXAUSA-N 1 0 304.390 3.075 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCCS2)n1 ZINC000447599560 280377249 /nfs/dbraw/zinc/37/72/49/280377249.db2.gz KJQNCGJDVYAOTF-BFHYXJOUSA-N 1 0 324.450 3.150 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000119177115 431657235 /nfs/dbraw/zinc/65/72/35/431657235.db2.gz BGGWDCUEXNFUAP-CORIIIEPSA-N 1 0 319.405 3.256 20 5 DGBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000118850119 431623440 /nfs/dbraw/zinc/62/34/40/431623440.db2.gz YFDGLQJLNRAPAO-IPYPFGDCSA-N 1 0 317.389 3.186 20 5 DGBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000119393041 431686437 /nfs/dbraw/zinc/68/64/37/431686437.db2.gz MMBFQXPESAWABW-CYBMUJFWSA-N 1 0 300.358 3.363 20 5 DGBDRO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000078707607 431699631 /nfs/dbraw/zinc/69/96/31/431699631.db2.gz AYLQTASGPRVLMN-UHFFFAOYSA-N 1 0 316.361 3.409 20 5 DGBDRO Cc1c(CN2CCO[C@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000121270038 431764897 /nfs/dbraw/zinc/76/48/97/431764897.db2.gz VPQSNHCQVWBDEG-INIZCTEOSA-N 1 0 302.330 3.070 20 5 DGBDRO CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000030144624 431733204 /nfs/dbraw/zinc/73/32/04/431733204.db2.gz JTYJJAQIBRZIPK-CYBMUJFWSA-N 1 0 305.378 3.045 20 5 DGBDRO CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000030142383 431733996 /nfs/dbraw/zinc/73/39/96/431733996.db2.gz VMAGBKRKNDDZPG-LBPRGKRZSA-N 1 0 316.361 3.267 20 5 DGBDRO CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000030144614 431734090 /nfs/dbraw/zinc/73/40/90/431734090.db2.gz PNTRIAVHFJGODI-CQSZACIVSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000122839276 431846487 /nfs/dbraw/zinc/84/64/87/431846487.db2.gz SNAUZOHTZMPHAH-ZDUSSCGKSA-N 1 0 303.406 3.181 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000122977058 431850584 /nfs/dbraw/zinc/85/05/84/431850584.db2.gz CFOAYFIXHQUVGQ-BETUJISGSA-N 1 0 305.378 3.105 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCC(C)CC2)cc1[N+](=O)[O-] ZINC000123434337 431865038 /nfs/dbraw/zinc/86/50/38/431865038.db2.gz ZEZWHGKDMVAYAO-TVIZTDCDSA-N 1 0 306.406 3.495 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000123464552 431866079 /nfs/dbraw/zinc/86/60/79/431866079.db2.gz RRWYLWDFBIGQEG-GHMZBOCLSA-N 1 0 302.334 3.018 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123571755 431868429 /nfs/dbraw/zinc/86/84/29/431868429.db2.gz MOTZZISHXXDHPU-HZPDHXFCSA-N 1 0 322.430 3.081 20 5 DGBDRO Cc1cccc(C(=O)Nc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000047453105 431910372 /nfs/dbraw/zinc/91/03/72/431910372.db2.gz FOZZQWPOMPNUGE-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000127393691 431970932 /nfs/dbraw/zinc/97/09/32/431970932.db2.gz DCADBROGBQAGGN-QKVFXAPYSA-N 1 0 312.435 3.101 20 5 DGBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000049558498 431941985 /nfs/dbraw/zinc/94/19/85/431941985.db2.gz BLZIMCAJNINJIF-SECBINFHSA-N 1 0 305.300 3.366 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000098172445 431980180 /nfs/dbraw/zinc/98/01/80/431980180.db2.gz OXOZNZBUSFHDTN-UHFFFAOYSA-N 1 0 311.385 3.353 20 5 DGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000051378572 431950889 /nfs/dbraw/zinc/95/08/89/431950889.db2.gz WEFYYXPROKMLSC-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO CC(C)[N@H+](C)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000054128145 431968049 /nfs/dbraw/zinc/96/80/49/431968049.db2.gz VUTJVROSNCPYRD-UHFFFAOYSA-N 1 0 316.199 3.109 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000448066071 281013382 /nfs/dbraw/zinc/01/33/82/281013382.db2.gz CEWNTKRVVYPYNV-GDBMZVCRSA-N 1 0 315.417 3.356 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nccs1)C1CC1 ZINC000128128431 431988273 /nfs/dbraw/zinc/98/82/73/431988273.db2.gz LTKKYBSXINIVKF-CYBMUJFWSA-N 1 0 303.387 3.162 20 5 DGBDRO C[C@@H]([NH2+]CCOc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173338688 432271530 /nfs/dbraw/zinc/27/15/30/432271530.db2.gz CXODAAVXFZQDBM-GFCCVEGCSA-N 1 0 304.321 3.464 20 5 DGBDRO CCC[N@H+](CC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270688064 432278159 /nfs/dbraw/zinc/27/81/59/432278159.db2.gz DUUIEBCICJDQST-LLVKDONJSA-N 1 0 304.350 3.438 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CN1CCCCC1 ZINC000151862968 432283743 /nfs/dbraw/zinc/28/37/43/432283743.db2.gz NVRIYCFEOGXOGW-HUUCEWRRSA-N 1 0 305.422 3.428 20 5 DGBDRO CC[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)N1CCCC1 ZINC000151687033 432266062 /nfs/dbraw/zinc/26/60/62/432266062.db2.gz NUSRVCAQXLNKQK-GJZGRUSLSA-N 1 0 305.422 3.428 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000271070130 432326741 /nfs/dbraw/zinc/32/67/41/432326741.db2.gz DZSHYFLBVGMRFF-MELADBBJSA-N 1 0 324.446 3.480 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183919433 432335231 /nfs/dbraw/zinc/33/52/31/432335231.db2.gz XJSDUIRMIBISCF-LLVKDONJSA-N 1 0 321.402 3.295 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC1 ZINC000271140848 432336841 /nfs/dbraw/zinc/33/68/41/432336841.db2.gz OGXREIXTGYDLJL-OLZOCXBDSA-N 1 0 310.419 3.092 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CCO ZINC000271188659 432347910 /nfs/dbraw/zinc/34/79/10/432347910.db2.gz XDTMDOLZHZLYMJ-STQMWFEESA-N 1 0 312.435 3.074 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000152182989 432311431 /nfs/dbraw/zinc/31/14/31/432311431.db2.gz FJMZBBAFNUWZNM-NSHDSACASA-N 1 0 322.796 3.179 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000192455919 432376916 /nfs/dbraw/zinc/37/69/16/432376916.db2.gz WAAVBANNXQMHOJ-CYBMUJFWSA-N 1 0 318.402 3.128 20 5 DGBDRO C[N@H+](Cc1ccccc1)CC(C)(C)Nc1ncc([N+](=O)[O-])s1 ZINC000192508965 432382251 /nfs/dbraw/zinc/38/22/51/432382251.db2.gz RVVKHNHDPFJTIV-UHFFFAOYSA-N 1 0 320.418 3.374 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000271493508 432407297 /nfs/dbraw/zinc/40/72/97/432407297.db2.gz JOIGNSHMBBWXFH-NDOICKTLSA-N 1 0 304.390 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1ccccc1)CCC2 ZINC000192597733 432392515 /nfs/dbraw/zinc/39/25/15/432392515.db2.gz MKZFDZARXGIAHX-QZTJIDSGSA-N 1 0 312.369 3.295 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000175102172 432396867 /nfs/dbraw/zinc/39/68/67/432396867.db2.gz GNTQEAPLGWOKKM-DOTOQJQBSA-N 1 0 320.389 3.137 20 5 DGBDRO Cc1ccc([C@@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000174724874 432367849 /nfs/dbraw/zinc/36/78/49/432367849.db2.gz PMGZEOGBUACHRC-KRWDZBQOSA-N 1 0 300.358 3.069 20 5 DGBDRO [NH3+]CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000261541435 432431151 /nfs/dbraw/zinc/43/11/51/432431151.db2.gz FWXXYVXWLUADAD-UHFFFAOYSA-N 1 0 319.792 3.209 20 5 DGBDRO CC(C)[NH+]1CCC(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192971394 432435389 /nfs/dbraw/zinc/43/53/89/432435389.db2.gz YMFWXACQYJPCFE-SFHVURJKSA-N 1 0 317.433 3.435 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000272062769 432438653 /nfs/dbraw/zinc/43/86/53/432438653.db2.gz XBVUAQDEHNVBBS-KRWDZBQOSA-N 1 0 322.405 3.121 20 5 DGBDRO C[C@@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153783292 432443960 /nfs/dbraw/zinc/44/39/60/432443960.db2.gz ZBMBGYLRLWBHRN-UKRRQHHQSA-N 1 0 303.406 3.262 20 5 DGBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153931219 432457716 /nfs/dbraw/zinc/45/77/16/432457716.db2.gz OOQZGWGYWOWZGN-ZDUSSCGKSA-N 1 0 312.797 3.497 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000153438783 432410201 /nfs/dbraw/zinc/41/02/01/432410201.db2.gz WVQYMNINGRZOEP-CYBMUJFWSA-N 1 0 322.405 3.339 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCN(CC)C2CC2)cc1[N+](=O)[O-] ZINC000153493209 432412972 /nfs/dbraw/zinc/41/29/72/432412972.db2.gz XBEPZJHNUMXADQ-CYBMUJFWSA-N 1 0 321.421 3.128 20 5 DGBDRO CCOc1ccc([C@H](C)NCC[N@H+](C)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000153525845 432417955 /nfs/dbraw/zinc/41/79/55/432417955.db2.gz SNHWJBBYEUQRJJ-KBPBESRZSA-N 1 0 323.437 3.374 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000192853643 432422424 /nfs/dbraw/zinc/42/24/24/432422424.db2.gz CTLURCKLTQMAID-BDJLRTHQSA-N 1 0 302.378 3.439 20 5 DGBDRO C[NH2+][C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000262043302 432472078 /nfs/dbraw/zinc/47/20/78/432472078.db2.gz PKWNGSBJSJCKKM-CQSZACIVSA-N 1 0 315.373 3.039 20 5 DGBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000193525438 432479026 /nfs/dbraw/zinc/47/90/26/432479026.db2.gz JWNLFMVAYRIXCA-UGSOOPFHSA-N 1 0 319.408 3.258 20 5 DGBDRO COc1cc(C[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272330372 432482392 /nfs/dbraw/zinc/48/23/92/432482392.db2.gz WHECEPBKJCFCNJ-UHFFFAOYSA-N 1 0 318.320 3.088 20 5 DGBDRO CCCC[NH+]1CCC(Nc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185260595 432484758 /nfs/dbraw/zinc/48/47/58/432484758.db2.gz XHAGWOQSQWFZGN-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO Cc1cc(NCCCOC(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000193611921 432484822 /nfs/dbraw/zinc/48/48/22/432484822.db2.gz ZSTWRAZDCPQWHJ-UHFFFAOYSA-N 1 0 311.288 3.493 20 5 DGBDRO CC[C@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176195567 432500371 /nfs/dbraw/zinc/50/03/71/432500371.db2.gz XPVSCZIYTAMFDE-AWEZNQCLSA-N 1 0 302.378 3.092 20 5 DGBDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176212763 432501278 /nfs/dbraw/zinc/50/12/78/432501278.db2.gz YNKVQZQUPFVHGN-NSHDSACASA-N 1 0 308.769 3.138 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000273194318 432565163 /nfs/dbraw/zinc/56/51/63/432565163.db2.gz HMZSVMMBDSISGU-RDTXWAMCSA-N 1 0 314.385 3.239 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(Cl)c1 ZINC000273140832 432557245 /nfs/dbraw/zinc/55/72/45/432557245.db2.gz DXJHYTKOGRFKFX-YUELXQCFSA-N 1 0 322.792 3.295 20 5 DGBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000272578026 432528122 /nfs/dbraw/zinc/52/81/22/432528122.db2.gz XMEDHKOGQUWENR-STQMWFEESA-N 1 0 316.357 3.058 20 5 DGBDRO COc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1F ZINC000185765863 432532557 /nfs/dbraw/zinc/53/25/57/432532557.db2.gz RPYODKGNEADYAM-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO CCOC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000186540115 432605938 /nfs/dbraw/zinc/60/59/38/432605938.db2.gz CXKCJRCYPSBBPL-UHFFFAOYSA-N 1 0 318.320 3.101 20 5 DGBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1OCCc2ccccc21 ZINC000263753641 432573164 /nfs/dbraw/zinc/57/31/64/432573164.db2.gz SYCLRSODXZDHKY-SFHVURJKSA-N 1 0 312.369 3.341 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000263931184 432595493 /nfs/dbraw/zinc/59/54/93/432595493.db2.gz AGVXIRMLDDWDSA-CYBMUJFWSA-N 1 0 307.394 3.208 20 5 DGBDRO COc1ccc(C[N@H+](C[C@@H](C)O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000264209655 432626284 /nfs/dbraw/zinc/62/62/84/432626284.db2.gz SAJPXVNZVABJSE-CYBMUJFWSA-N 1 0 322.405 3.119 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177849683 432668567 /nfs/dbraw/zinc/66/85/67/432668567.db2.gz DXUCEQHZDPFXNO-GFCCVEGCSA-N 1 0 307.394 3.210 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000265056676 432666431 /nfs/dbraw/zinc/66/64/31/432666431.db2.gz MFZMMZYBRNAQKT-HUUCEWRRSA-N 1 0 318.421 3.081 20 5 DGBDRO C[C@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000265118119 432667446 /nfs/dbraw/zinc/66/74/46/432667446.db2.gz CRHQFITXFVLNRO-NSHDSACASA-N 1 0 306.387 3.184 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCC([NH+]3CCCCC3)CC2)c(Cl)c1 ZINC000265447941 432700767 /nfs/dbraw/zinc/70/07/67/432700767.db2.gz AFNHHNNEQXKWBV-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000187676815 432676584 /nfs/dbraw/zinc/67/65/84/432676584.db2.gz RXDQWTWBLGACGJ-QIJZBDPFSA-N 1 0 318.417 3.055 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000177960353 432678868 /nfs/dbraw/zinc/67/88/68/432678868.db2.gz CLYOTPGTCBAUAV-NEPJUHHUSA-N 1 0 302.378 3.357 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000177992871 432683228 /nfs/dbraw/zinc/68/32/28/432683228.db2.gz DEVOATOBVIVDKA-IAQYHMDHSA-N 1 0 310.781 3.249 20 5 DGBDRO CCC(C)(C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265272233 432684154 /nfs/dbraw/zinc/68/41/54/432684154.db2.gz XITHXGZQMYUQMD-UHFFFAOYSA-N 1 0 323.393 3.052 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCCSC1)C1CC1 ZINC000159530070 432686299 /nfs/dbraw/zinc/68/62/99/432686299.db2.gz RKQPQPOWYGXPDH-CABCVRRESA-N 1 0 306.431 3.401 20 5 DGBDRO COc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1OC ZINC000237223533 432782164 /nfs/dbraw/zinc/78/21/64/432782164.db2.gz IAVYOOJFPDCEQK-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO CCc1ccc([C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C(C)C)cc1 ZINC000478421567 288549123 /nfs/dbraw/zinc/54/91/23/288549123.db2.gz AMNRGBSPEKNLHZ-KRWDZBQOSA-N 1 0 316.405 3.341 20 5 DGBDRO C[N@@H+](Cc1cc(=O)oc2ccc3ccccc3c12)C[C@@H]1CCOC1 ZINC000178776313 432775558 /nfs/dbraw/zinc/77/55/58/432775558.db2.gz UTZPADSMOQRELB-AWEZNQCLSA-N 1 0 323.392 3.415 20 5 DGBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000189334488 432779826 /nfs/dbraw/zinc/77/98/26/432779826.db2.gz GRWUJOOFTBNLPH-HOTGVXAUSA-N 1 0 316.357 3.104 20 5 DGBDRO COCC(C)(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000237151203 432780330 /nfs/dbraw/zinc/78/03/30/432780330.db2.gz YCAYJUNXDIOIMQ-UHFFFAOYSA-N 1 0 304.346 3.369 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1O ZINC000178411054 432732459 /nfs/dbraw/zinc/73/24/59/432732459.db2.gz DNCUPWXKFFVVRT-LLVKDONJSA-N 1 0 302.330 3.160 20 5 DGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000233847917 432738874 /nfs/dbraw/zinc/73/88/74/432738874.db2.gz BFAUYKQOHXTFJG-IUODEOHRSA-N 1 0 310.419 3.367 20 5 DGBDRO Cc1ccnc(NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000267232291 432824848 /nfs/dbraw/zinc/82/48/48/432824848.db2.gz VYWPANVNTXBBDP-UHFFFAOYSA-N 1 0 304.394 3.117 20 5 DGBDRO CC(=O)c1ccc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000267290297 432829460 /nfs/dbraw/zinc/82/94/60/432829460.db2.gz REKYDPSTIXPMED-UONOGXRCSA-N 1 0 305.378 3.082 20 5 DGBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000266770466 432786042 /nfs/dbraw/zinc/78/60/42/432786042.db2.gz JLQZVTYWCDOORW-IAQYHMDHSA-N 1 0 306.387 3.215 20 5 DGBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000266818292 432789376 /nfs/dbraw/zinc/78/93/76/432789376.db2.gz YHRPMPQGZVTVEB-IAQYHMDHSA-N 1 0 306.387 3.215 20 5 DGBDRO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)(C)C1 ZINC000266905085 432795263 /nfs/dbraw/zinc/79/52/63/432795263.db2.gz BBNNKYXETJYPCV-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CCCC1 ZINC000267001344 432805868 /nfs/dbraw/zinc/80/58/68/432805868.db2.gz YSNDHMIPXRHJCE-UHFFFAOYSA-N 1 0 307.394 3.028 20 5 DGBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420219439 288689069 /nfs/dbraw/zinc/68/90/69/288689069.db2.gz QWGKKWXQRDHURW-HTQZYQBOSA-N 1 0 304.177 3.075 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCCOC3)o2)c1 ZINC000237995443 432808041 /nfs/dbraw/zinc/80/80/41/432808041.db2.gz ZDYXECLFJHOLHT-CYBMUJFWSA-N 1 0 316.357 3.371 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000268364481 432866129 /nfs/dbraw/zinc/86/61/29/432866129.db2.gz UTVDWPSZVFGMCB-XHDPSFHLSA-N 1 0 306.362 3.130 20 5 DGBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000245543377 432841208 /nfs/dbraw/zinc/84/12/08/432841208.db2.gz KPMUNWGJTOXUTL-IUODEOHRSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000163113404 432843743 /nfs/dbraw/zinc/84/37/43/432843743.db2.gz RXIWJEGIXXLTIX-CXAGYDPISA-N 1 0 306.406 3.495 20 5 DGBDRO CC(C)(CO)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163173222 432844344 /nfs/dbraw/zinc/84/43/44/432844344.db2.gz WEWWISNOXFEGGI-MRXNPFEDSA-N 1 0 320.433 3.304 20 5 DGBDRO CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000268165238 432851169 /nfs/dbraw/zinc/85/11/69/432851169.db2.gz PKAIQYSHIZZWMK-UHFFFAOYSA-N 1 0 301.346 3.021 20 5 DGBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330677227 432924012 /nfs/dbraw/zinc/92/40/12/432924012.db2.gz KYOWVXVBCZBEGF-OAHLLOKOSA-N 1 0 312.797 3.375 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1 ZINC000296723942 432926492 /nfs/dbraw/zinc/92/64/92/432926492.db2.gz NHQQTMLEOAECAZ-STQMWFEESA-N 1 0 319.405 3.083 20 5 DGBDRO CCOc1cc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)ccc1[N+](=O)[O-] ZINC000331129887 432931419 /nfs/dbraw/zinc/93/14/19/432931419.db2.gz AQOZIYZWYICWLH-HNNXBMFYSA-N 1 0 322.405 3.429 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000331155324 432932632 /nfs/dbraw/zinc/93/26/32/432932632.db2.gz YHXWFMRLSSIVNJ-KWCYVHTRSA-N 1 0 319.405 3.256 20 5 DGBDRO Cn1cnc2cc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])ccc21 ZINC000289341764 432945974 /nfs/dbraw/zinc/94/59/74/432945974.db2.gz HXTJFEGGWFNYGN-UHFFFAOYSA-N 1 0 324.384 3.156 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCc2occc2C1 ZINC000288930309 432906483 /nfs/dbraw/zinc/90/64/83/432906483.db2.gz VWQUJIRZJVPGJR-UHFFFAOYSA-N 1 0 302.330 3.015 20 5 DGBDRO Cn1cccc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278853061 432909133 /nfs/dbraw/zinc/90/91/33/432909133.db2.gz XETFHDAJWXOTCR-UHFFFAOYSA-N 1 0 313.279 3.242 20 5 DGBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H](O)c1ccccc1 ZINC000289367603 432949857 /nfs/dbraw/zinc/94/98/57/432949857.db2.gz HYSSERMPDNOABO-SFHVURJKSA-N 1 0 314.385 3.193 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000330552574 432917278 /nfs/dbraw/zinc/91/72/78/432917278.db2.gz YCBMHEDUBULEPI-MRVWCRGKSA-N 1 0 319.405 3.256 20 5 DGBDRO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C1 ZINC000332137452 432977301 /nfs/dbraw/zinc/97/73/01/432977301.db2.gz OXUPHKUXEPXJQP-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCS[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000332257246 432991408 /nfs/dbraw/zinc/99/14/08/432991408.db2.gz ZQZZBTKKIKOANM-LBPRGKRZSA-N 1 0 310.419 3.321 20 5 DGBDRO C[C@@H]1C[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C[N@@H+]1C1CC1 ZINC000297498709 432997771 /nfs/dbraw/zinc/99/77/71/432997771.db2.gz MYGUZHWLXXTTAQ-YPMHNXCESA-N 1 0 312.373 3.180 20 5 DGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000289377830 432951448 /nfs/dbraw/zinc/95/14/48/432951448.db2.gz BZZVJTRDXAPXCS-HNNXBMFYSA-N 1 0 322.405 3.253 20 5 DGBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000341277074 433014507 /nfs/dbraw/zinc/01/45/07/433014507.db2.gz SQMBZVDFASRBGR-HWKANZROSA-N 1 0 322.368 3.317 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[C@H](C)O ZINC000341300169 433021624 /nfs/dbraw/zinc/02/16/24/433021624.db2.gz LCJYGZVLKUYRHS-FRRDWIJNSA-N 1 0 312.435 3.215 20 5 DGBDRO CC[N@H+](CCOC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000349860447 433024154 /nfs/dbraw/zinc/02/41/54/433024154.db2.gz GLEFFXLXIXSMFZ-UHFFFAOYSA-N 1 0 304.346 3.323 20 5 DGBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000280487697 433058704 /nfs/dbraw/zinc/05/87/04/433058704.db2.gz OORFLKOIVPFCLE-MRXNPFEDSA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000350098400 433076333 /nfs/dbraw/zinc/07/63/33/433076333.db2.gz MEPYWNKCGJULIG-AWEZNQCLSA-N 1 0 306.406 3.180 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)CC2CCCC2)c(F)c1 ZINC000341471957 433078535 /nfs/dbraw/zinc/07/85/35/433078535.db2.gz UQZBBXNGKGFSNC-CYBMUJFWSA-N 1 0 310.369 3.012 20 5 DGBDRO Cn1ccnc1[C@@H]([NH2+]CCC1(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000280558910 433083920 /nfs/dbraw/zinc/08/39/20/433083920.db2.gz KTIRYGHQEWPFIN-HNNXBMFYSA-N 1 0 314.389 3.198 20 5 DGBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000280579836 433092785 /nfs/dbraw/zinc/09/27/85/433092785.db2.gz WOWIBDCKYGTZMQ-BIYNOUFRSA-N 1 0 304.390 3.233 20 5 DGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000280663201 433128604 /nfs/dbraw/zinc/12/86/04/433128604.db2.gz BPBBYVXTQHNGEZ-BLLLJJGKSA-N 1 0 300.362 3.093 20 5 DGBDRO Cc1c([C@@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000453385842 433140855 /nfs/dbraw/zinc/14/08/55/433140855.db2.gz UVFMHTPMYXHMMQ-PBHICJAKSA-N 1 0 304.390 3.467 20 5 DGBDRO [NH3+]C[C@@H]1CC[C@@H](Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420280074 433144127 /nfs/dbraw/zinc/14/41/27/433144127.db2.gz UGUFWOKJJMWTEW-VXNVDRBHSA-N 1 0 304.177 3.441 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000420282405 433145103 /nfs/dbraw/zinc/14/51/03/433145103.db2.gz NCUSMNBHCQBNQO-NWDGAFQWSA-N 1 0 300.362 3.072 20 5 DGBDRO Cc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420283771 433145498 /nfs/dbraw/zinc/14/54/98/433145498.db2.gz OBBVBPIQACSFMT-OLZOCXBDSA-N 1 0 314.389 3.381 20 5 DGBDRO C[C@H]([NH2+]CC[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000298487545 433151734 /nfs/dbraw/zinc/15/17/34/433151734.db2.gz UADWELWXUFFKJV-SUMWQHHRSA-N 1 0 300.358 3.369 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)[C@H](O)CC)cc1[N+](=O)[O-] ZINC000453339017 433102442 /nfs/dbraw/zinc/10/24/42/433102442.db2.gz BIWJVTMDYKRIRB-CORIIIEPSA-N 1 0 310.394 3.194 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1(CO)CC1 ZINC000453342322 433102946 /nfs/dbraw/zinc/10/29/46/433102946.db2.gz LTCTXIFSQLJEQS-ZDUSSCGKSA-N 1 0 324.446 3.218 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1(CO)CC1 ZINC000453342321 433103273 /nfs/dbraw/zinc/10/32/73/433103273.db2.gz LTCTXIFSQLJEQS-CYBMUJFWSA-N 1 0 324.446 3.218 20 5 DGBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000446832389 433110740 /nfs/dbraw/zinc/11/07/40/433110740.db2.gz OFXMDPLRUXSTFP-INIZCTEOSA-N 1 0 318.373 3.351 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO[C@H]1C1CC1 ZINC000341527639 433115694 /nfs/dbraw/zinc/11/56/94/433115694.db2.gz BQLUHNMHGREWTP-HOTGVXAUSA-N 1 0 308.353 3.029 20 5 DGBDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446848515 433117170 /nfs/dbraw/zinc/11/71/70/433117170.db2.gz ICKPYQAFALWZST-YGRLFVJLSA-N 1 0 302.378 3.385 20 5 DGBDRO Cc1cc(NCC[C@H]2CC[NH2+]C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420188024 433118230 /nfs/dbraw/zinc/11/82/30/433118230.db2.gz MORAKVMJIJXUMV-SNVBAGLBSA-N 1 0 317.311 3.334 20 5 DGBDRO CC(C)(O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290928083 433207662 /nfs/dbraw/zinc/20/76/62/433207662.db2.gz RNMPKIJCSHCJBG-UHFFFAOYSA-N 1 0 307.177 3.152 20 5 DGBDRO CCOc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000298507514 433160520 /nfs/dbraw/zinc/16/05/20/433160520.db2.gz QSXHACVTWUIPNR-UHFFFAOYSA-N 1 0 316.357 3.031 20 5 DGBDRO Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519114 433209892 /nfs/dbraw/zinc/20/98/92/433209892.db2.gz XRDNXVJJQANEDO-CVEARBPZSA-N 1 0 314.389 3.373 20 5 DGBDRO CN(C)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000447512461 433210526 /nfs/dbraw/zinc/21/05/26/433210526.db2.gz YLDGFLDUWNIVCA-KRWDZBQOSA-N 1 0 317.433 3.436 20 5 DGBDRO CC[N@H+](CC1CCC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000361485537 433200456 /nfs/dbraw/zinc/20/04/56/433200456.db2.gz OPSHBWMHYCEXKC-ZDUSSCGKSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000157775710 292752481 /nfs/dbraw/zinc/75/24/81/292752481.db2.gz IRKGFRUPRYJSAF-OAHLLOKOSA-N 1 0 320.368 3.307 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000374496184 433203183 /nfs/dbraw/zinc/20/31/83/433203183.db2.gz LCCRPZPYMDMPJQ-FABXCBLPSA-N 1 0 320.389 3.212 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccs2)n1 ZINC000447519915 433212379 /nfs/dbraw/zinc/21/23/79/433212379.db2.gz ROJMYUQNNCJPNJ-QWHCGFSZSA-N 1 0 306.391 3.126 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)cc1[N+](=O)[O-] ZINC000354670000 433213076 /nfs/dbraw/zinc/21/30/76/433213076.db2.gz AKUGTTQOERACTI-CQSZACIVSA-N 1 0 306.406 3.313 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(F)c2)n1 ZINC000447533516 433216223 /nfs/dbraw/zinc/21/62/23/433216223.db2.gz XWGNXRGLJLRZAK-HUUCEWRRSA-N 1 0 318.352 3.204 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000280905568 433218086 /nfs/dbraw/zinc/21/80/86/433218086.db2.gz GCUGBDKNCLQXFX-DOMZBBRYSA-N 1 0 322.405 3.195 20 5 DGBDRO COc1cc(NC2CCC([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000420629477 433232717 /nfs/dbraw/zinc/23/27/17/433232717.db2.gz QVOCMSGUURKAES-UHFFFAOYSA-N 1 0 311.357 3.027 20 5 DGBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000420628462 433234910 /nfs/dbraw/zinc/23/49/10/433234910.db2.gz PGOVNAXPHMTCSF-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1(CO)CCCC1 ZINC000453617072 433240941 /nfs/dbraw/zinc/24/09/41/433240941.db2.gz PAORGGQUQMYNCN-CQSZACIVSA-N 1 0 312.435 3.323 20 5 DGBDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000453623012 433246763 /nfs/dbraw/zinc/24/67/63/433246763.db2.gz OKHBMTNXXIADIC-QGZVFWFLSA-N 1 0 320.389 3.149 20 5 DGBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc21 ZINC000350732522 433269115 /nfs/dbraw/zinc/26/91/15/433269115.db2.gz PAIMDEWNWXDIBK-QGZVFWFLSA-N 1 0 314.389 3.191 20 5 DGBDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000453625217 433248752 /nfs/dbraw/zinc/24/87/52/433248752.db2.gz RHBGYHXNXCUKIM-QGZVFWFLSA-N 1 0 320.389 3.149 20 5 DGBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CCC[N@@H+]1C ZINC000413232632 433267443 /nfs/dbraw/zinc/26/74/43/433267443.db2.gz CMMQCLXXZSYKHS-DGCLKSJQSA-N 1 0 300.362 3.038 20 5 DGBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413327415 433272669 /nfs/dbraw/zinc/27/26/69/433272669.db2.gz MOYAKXOLYISBLM-LBPRGKRZSA-N 1 0 310.373 3.051 20 5 DGBDRO CC[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000291643401 433297635 /nfs/dbraw/zinc/29/76/35/433297635.db2.gz BWKORTFLUMNDHO-ZDUSSCGKSA-N 1 0 306.387 3.184 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000448023211 433344844 /nfs/dbraw/zinc/34/48/44/433344844.db2.gz SFBDVMZBBMQEFK-VXGBXAGGSA-N 1 0 310.419 3.397 20 5 DGBDRO CCC[C@H]([NH2+]CCc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000341901534 433348539 /nfs/dbraw/zinc/34/85/39/433348539.db2.gz ZAWWWPLVQOAGLC-INIZCTEOSA-N 1 0 300.362 3.058 20 5 DGBDRO O=C(C[N@@H+]1CC[C@H](C2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420961862 433356857 /nfs/dbraw/zinc/35/68/57/433356857.db2.gz JGDBDGCESZIVSR-AWEZNQCLSA-N 1 0 317.389 3.045 20 5 DGBDRO C[C@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000375120541 433367595 /nfs/dbraw/zinc/36/75/95/433367595.db2.gz KULFXDOZXIVRJN-UUOJUMCQSA-N 1 0 316.401 3.403 20 5 DGBDRO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000361687575 433343128 /nfs/dbraw/zinc/34/31/28/433343128.db2.gz PVMGWIVVPXEEQW-OAHLLOKOSA-N 1 0 304.390 3.400 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301132256 433428492 /nfs/dbraw/zinc/42/84/92/433428492.db2.gz WGDLWIXIAHPNHF-JTQLQIEISA-N 1 0 317.311 3.367 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000342038518 433431262 /nfs/dbraw/zinc/43/12/62/433431262.db2.gz JHSHEFXRHBQKKY-BETUJISGSA-N 1 0 305.378 3.023 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301149956 433432099 /nfs/dbraw/zinc/43/20/99/433432099.db2.gz MGTWZYWNTVYFRY-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000425958220 433384236 /nfs/dbraw/zinc/38/42/36/433384236.db2.gz FJAZVZKYQDBFAF-QWHCGFSZSA-N 1 0 316.357 3.058 20 5 DGBDRO CCC[C@H]([NH2+][C@H]1CCOC[C@@H]1OCC)c1cccc([N+](=O)[O-])c1 ZINC000354977841 433386501 /nfs/dbraw/zinc/38/65/01/433386501.db2.gz GNUKRNVQNCJDIG-ULQDDVLXSA-N 1 0 322.405 3.220 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421020996 433393923 /nfs/dbraw/zinc/39/39/23/433393923.db2.gz RWAIRVHMQBGFEV-LBPRGKRZSA-N 1 0 312.797 3.233 20 5 DGBDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000421030104 433397122 /nfs/dbraw/zinc/39/71/22/433397122.db2.gz YHDZVXICDJIFDI-OAHLLOKOSA-N 1 0 314.389 3.059 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC2(CCOCC2)CC1 ZINC000341989442 433400765 /nfs/dbraw/zinc/40/07/65/433400765.db2.gz KDMHRQWUENHERA-UHFFFAOYSA-N 1 0 308.353 3.127 20 5 DGBDRO COCC[C@@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414195882 433455400 /nfs/dbraw/zinc/45/54/00/433455400.db2.gz JLSOPCAQECXOFI-CJNGLKHVSA-N 1 0 306.406 3.178 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301228449 433458828 /nfs/dbraw/zinc/45/88/28/433458828.db2.gz DCSMHCJSYXLFMU-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CC2)s1 ZINC000414320476 433540972 /nfs/dbraw/zinc/54/09/72/433540972.db2.gz CBFFRRHSWGFJPL-JTQLQIEISA-N 1 0 318.402 3.045 20 5 DGBDRO Cc1cnc(NCCC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000301340253 433513897 /nfs/dbraw/zinc/51/38/97/433513897.db2.gz FRTPQYSNDPTDSL-UHFFFAOYSA-N 1 0 306.410 3.365 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2ccccc2)n1 ZINC000351494388 433532139 /nfs/dbraw/zinc/53/21/39/433532139.db2.gz RDNIEXXRWWVKQH-CVEARBPZSA-N 1 0 314.389 3.107 20 5 DGBDRO Cc1nc(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000292270466 433533055 /nfs/dbraw/zinc/53/30/55/433533055.db2.gz ZNLSUKIRWCRKQE-UHFFFAOYSA-N 1 0 305.403 3.427 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC000362126971 433539211 /nfs/dbraw/zinc/53/92/11/433539211.db2.gz WUXMXCCEGLUQSU-MRXNPFEDSA-N 1 0 315.348 3.240 20 5 DGBDRO Cc1ccc([C@@H](CNc2nccc(C)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000301296697 433492722 /nfs/dbraw/zinc/49/27/22/433492722.db2.gz PJLRHENNAKIPKG-OAHLLOKOSA-N 1 0 314.389 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)n2)cc1 ZINC000426461437 433500748 /nfs/dbraw/zinc/50/07/48/433500748.db2.gz PDYKENBEFMLKNV-RISCZKNCSA-N 1 0 314.345 3.019 20 5 DGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000375746103 433552545 /nfs/dbraw/zinc/55/25/45/433552545.db2.gz WXUPXTNCTJUJTL-XNHOIOAFSA-N 1 0 322.792 3.103 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000421412955 433557933 /nfs/dbraw/zinc/55/79/33/433557933.db2.gz UVWANEJGXJGZOG-SHRNQRGKSA-N 1 0 303.406 3.024 20 5 DGBDRO Cc1cnc(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301449862 433560028 /nfs/dbraw/zinc/56/00/28/433560028.db2.gz PQBBPSMNDDMYBU-GASCZTMLSA-N 1 0 320.437 3.468 20 5 DGBDRO Cc1cnc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301464051 433565612 /nfs/dbraw/zinc/56/56/12/433565612.db2.gz WBYXYTRRXJGTEP-CQSZACIVSA-N 1 0 314.389 3.231 20 5 DGBDRO Cc1cnc(NC[C@H](C)[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301464050 433566432 /nfs/dbraw/zinc/56/64/32/433566432.db2.gz WBYXYTRRXJGTEP-AWEZNQCLSA-N 1 0 314.389 3.231 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000301492759 433579547 /nfs/dbraw/zinc/57/95/47/433579547.db2.gz QDKYSRGYYBMGJB-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421399040 433543812 /nfs/dbraw/zinc/54/38/12/433543812.db2.gz PHVHFCNORCGSEU-NFBGWVBBSA-N 1 0 304.390 3.093 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c(F)c1 ZINC000301419944 433545569 /nfs/dbraw/zinc/54/55/69/433545569.db2.gz CISPDUIYKKFKEL-CYBMUJFWSA-N 1 0 307.369 3.410 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421401160 433548210 /nfs/dbraw/zinc/54/82/10/433548210.db2.gz SZJKALNLPZTISE-IRVMHKCDSA-N 1 0 318.417 3.483 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000421571366 433632139 /nfs/dbraw/zinc/63/21/39/433632139.db2.gz WDJBJMCXRAEKBS-UHFFFAOYSA-N 1 0 321.421 3.062 20 5 DGBDRO Cc1nc(NC[C@@H](C2CCCCC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301614278 433639388 /nfs/dbraw/zinc/63/93/88/433639388.db2.gz APOACLJINSLKRT-HNNXBMFYSA-N 1 0 306.410 3.221 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000301611963 433639937 /nfs/dbraw/zinc/63/99/37/433639937.db2.gz FFAWGUWYPNFWIU-DZGCQCFKSA-N 1 0 312.373 3.065 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])ccn1 ZINC000342302237 433599840 /nfs/dbraw/zinc/59/98/40/433599840.db2.gz UBZVMUFHPBUNAG-IYNGYCSASA-N 1 0 313.357 3.362 20 5 DGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000301545945 433604238 /nfs/dbraw/zinc/60/42/38/433604238.db2.gz DQYPZEAWEXDGMY-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000414489911 433656651 /nfs/dbraw/zinc/65/66/51/433656651.db2.gz WIMLVWVMQWGEQN-JSGCOSHPSA-N 1 0 320.389 3.225 20 5 DGBDRO Cc1nc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301663603 433662008 /nfs/dbraw/zinc/66/20/08/433662008.db2.gz VNTNRZPGJRQDIB-RWMBFGLXSA-N 1 0 306.410 3.077 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC4CCC3CC4)o2)cc1 ZINC000362340581 433651411 /nfs/dbraw/zinc/65/14/11/433651411.db2.gz LSDVJYGHNUNQOX-UHFFFAOYSA-N 1 0 314.345 3.019 20 5 DGBDRO COc1cc(C[N@@H+]2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000414530037 433696473 /nfs/dbraw/zinc/69/64/73/433696473.db2.gz WNSFJJHTVVHVIL-NSHDSACASA-N 1 0 308.378 3.232 20 5 DGBDRO CSCc1cnc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000293315695 433696627 /nfs/dbraw/zinc/69/66/27/433696627.db2.gz QOQQEEPPFUDORE-UHFFFAOYSA-N 1 0 323.443 3.247 20 5 DGBDRO Cc1ccc([C@@H]2CCCCN2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370044203 293151924 /nfs/dbraw/zinc/15/19/24/293151924.db2.gz AAWHCKGLEYPQDO-HNNXBMFYSA-N 1 0 314.389 3.364 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000370307534 293167785 /nfs/dbraw/zinc/16/77/85/293167785.db2.gz HYXPXSIDEVYMAW-MRXNPFEDSA-N 1 0 320.389 3.042 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000283338109 433709611 /nfs/dbraw/zinc/70/96/11/433709611.db2.gz AUDDQHPLXWJMFC-UHFFFAOYSA-N 1 0 305.378 3.188 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000421740132 433711227 /nfs/dbraw/zinc/71/12/27/433711227.db2.gz HNEMLEXOMOYETJ-UHFFFAOYSA-N 1 0 321.421 3.060 20 5 DGBDRO COc1ccccc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059964 433717326 /nfs/dbraw/zinc/71/73/26/433717326.db2.gz DMEHJPWVKDLWEI-CYBMUJFWSA-N 1 0 300.358 3.324 20 5 DGBDRO CC(C)C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000449078235 433725782 /nfs/dbraw/zinc/72/57/82/433725782.db2.gz XMCVFCRDRIZLTL-HOCLYGCPSA-N 1 0 307.438 3.092 20 5 DGBDRO C[C@]1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000374642342 293428795 /nfs/dbraw/zinc/42/87/95/293428795.db2.gz CIAMLUMQXHSYQD-GJZGRUSLSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO)CC2CCCCC2)c(F)c1 ZINC000362528636 433740457 /nfs/dbraw/zinc/74/04/57/433740457.db2.gz NSFKSVMCZSUCSQ-UHFFFAOYSA-N 1 0 310.369 3.109 20 5 DGBDRO COc1cc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc([N+](=O)[O-])c1C ZINC000414617809 433749124 /nfs/dbraw/zinc/74/91/24/433749124.db2.gz MDYWDBAVYUKZRN-LLVKDONJSA-N 1 0 320.349 3.008 20 5 DGBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000376367329 433722929 /nfs/dbraw/zinc/72/29/29/433722929.db2.gz KXQBSVOPRNYTIE-CYBMUJFWSA-N 1 0 312.797 3.497 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC000432345027 433824105 /nfs/dbraw/zinc/82/41/05/433824105.db2.gz FQOIVLLYQICHPT-QWHCGFSZSA-N 1 0 314.389 3.062 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000429554746 433782446 /nfs/dbraw/zinc/78/24/46/433782446.db2.gz KPTDJSRVXTUTHW-GFCCVEGCSA-N 1 0 311.813 3.164 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000339794229 433787841 /nfs/dbraw/zinc/78/78/41/433787841.db2.gz AITCZDZLPGLEHA-NSHDSACASA-N 1 0 320.311 3.121 20 5 DGBDRO Cc1cc(N[C@@H]2C[C@@H](O)C2(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302543864 433824700 /nfs/dbraw/zinc/82/47/00/433824700.db2.gz UFJXHEMXKOMWPK-HUUCEWRRSA-N 1 0 301.346 3.023 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000339823002 433803184 /nfs/dbraw/zinc/80/31/84/433803184.db2.gz RBCKHNQXQPPFAL-QGZVFWFLSA-N 1 0 322.405 3.240 20 5 DGBDRO C[C@H]([NH2+]CCCOC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293653476 433816202 /nfs/dbraw/zinc/81/62/02/433816202.db2.gz IRDJTAYTWXPVFL-LBPRGKRZSA-N 1 0 307.394 3.177 20 5 DGBDRO C[C@H]1[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CCC[N@@H+]1C ZINC000432144175 433821241 /nfs/dbraw/zinc/82/12/41/433821241.db2.gz VWGADGWWGIPJFN-WCQYABFASA-N 1 0 300.362 3.038 20 5 DGBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC([NH3+])C1 ZINC000414781728 433829661 /nfs/dbraw/zinc/82/96/61/433829661.db2.gz WNMZOIBZCQZBIR-UHFFFAOYSA-N 1 0 317.414 3.245 20 5 DGBDRO C[C@@H](CCNc1ncccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000343884915 433832858 /nfs/dbraw/zinc/83/28/58/433832858.db2.gz PLAYRZOKDONAOH-AWEZNQCLSA-N 1 0 314.389 3.312 20 5 DGBDRO C[C@H](C1CCC1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000357034828 433834645 /nfs/dbraw/zinc/83/46/45/433834645.db2.gz JKHDFLUOXDGCAW-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO CC(C)[C@H]([NH3+])CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414785885 433836787 /nfs/dbraw/zinc/83/67/87/433836787.db2.gz ABCRLNADZNFXSH-CQSZACIVSA-N 1 0 319.430 3.396 20 5 DGBDRO CN(C)C(C)(C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433148555 433841114 /nfs/dbraw/zinc/84/11/14/433841114.db2.gz GUZOBTNDTRABNT-OAHLLOKOSA-N 1 0 305.422 3.247 20 5 DGBDRO CCC([NH3+])(CC)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414803134 433842402 /nfs/dbraw/zinc/84/24/02/433842402.db2.gz LOQRARGERCVMDD-UHFFFAOYSA-N 1 0 317.389 3.462 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCC2CC(O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433093634 433842843 /nfs/dbraw/zinc/84/28/43/433842843.db2.gz VIZHEDBSHGSUQV-IJGSQOGDSA-N 1 0 304.390 3.068 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CC2(CO)CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433228715 433845416 /nfs/dbraw/zinc/84/54/16/433845416.db2.gz AJGUTJONSNMYND-MRXNPFEDSA-N 1 0 318.417 3.460 20 5 DGBDRO CC(C)[C@H]([NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414796734 433845238 /nfs/dbraw/zinc/84/52/38/433845238.db2.gz OOPNPQDWEDABEK-OAHLLOKOSA-N 1 0 319.430 3.396 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357079889 433858756 /nfs/dbraw/zinc/85/87/56/433858756.db2.gz LRODSLBZVPJWBW-CYBMUJFWSA-N 1 0 323.824 3.070 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)C1CCCCC1 ZINC000414831240 433867557 /nfs/dbraw/zinc/86/75/57/433867557.db2.gz CDFQTHRALLAIHD-YOEHRIQHSA-N 1 0 319.449 3.413 20 5 DGBDRO C[C@@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000362895627 433899562 /nfs/dbraw/zinc/89/95/62/433899562.db2.gz BLVWHPFMOOTGJO-UKRRQHHQSA-N 1 0 303.406 3.262 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](C4CC4)C3)nc2c1 ZINC000377525319 433900799 /nfs/dbraw/zinc/90/07/99/433900799.db2.gz OSWYTCDCIVPYAL-LBPRGKRZSA-N 1 0 301.346 3.358 20 5 DGBDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293884860 433909746 /nfs/dbraw/zinc/90/97/46/433909746.db2.gz VOELQXMGOSGOAL-NSHDSACASA-N 1 0 301.346 3.036 20 5 DGBDRO CCCCC[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000362960448 433927960 /nfs/dbraw/zinc/92/79/60/433927960.db2.gz NSJNNWLKMKSSGR-HNNXBMFYSA-N 1 0 319.405 3.238 20 5 DGBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000362849646 433885790 /nfs/dbraw/zinc/88/57/90/433885790.db2.gz DBGXIUOUDFPSLD-KBPBESRZSA-N 1 0 314.389 3.015 20 5 DGBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000377652998 433944560 /nfs/dbraw/zinc/94/45/60/433944560.db2.gz LUBAZGUXQWDLRQ-HNNXBMFYSA-N 1 0 312.797 3.089 20 5 DGBDRO C[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000285448182 433950398 /nfs/dbraw/zinc/95/03/98/433950398.db2.gz XTYVIFGZACRCQJ-VIFPVBQESA-N 1 0 302.346 3.200 20 5 DGBDRO Cc1noc([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000285464861 433955339 /nfs/dbraw/zinc/95/53/39/433955339.db2.gz AKXIXRLCDCIONL-AWEZNQCLSA-N 1 0 302.334 3.013 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3)c(F)c1 ZINC000414982739 433956905 /nfs/dbraw/zinc/95/69/05/433956905.db2.gz SITXZBQMYVNLHY-UHFFFAOYSA-N 1 0 315.348 3.382 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000436405002 433958639 /nfs/dbraw/zinc/95/86/39/433958639.db2.gz FYINGNXOEMPVQD-KOLCDFICSA-N 1 0 300.305 3.474 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1[N+](=O)[O-] ZINC000340172837 433959717 /nfs/dbraw/zinc/95/97/17/433959717.db2.gz BURGKIWAGLHMDO-UHFFFAOYSA-N 1 0 311.341 3.375 20 5 DGBDRO COc1cc(N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000363451623 434062496 /nfs/dbraw/zinc/06/24/96/434062496.db2.gz ZTBCRINTRBQVJY-HNNXBMFYSA-N 1 0 313.357 3.202 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000357554885 434074682 /nfs/dbraw/zinc/07/46/82/434074682.db2.gz SXLVYZARHVPLSI-KBPBESRZSA-N 1 0 319.405 3.495 20 5 DGBDRO C[C@H]1[C@H](Nc2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000309878557 434100746 /nfs/dbraw/zinc/10/07/46/434100746.db2.gz IVUKESPJGQNSIB-DZGCQCFKSA-N 1 0 312.373 3.065 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000499254625 294082217 /nfs/dbraw/zinc/08/22/17/294082217.db2.gz VCENHPIBUAYELZ-YOEHRIQHSA-N 1 0 320.389 3.115 20 5 DGBDRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000499537081 294087689 /nfs/dbraw/zinc/08/76/89/294087689.db2.gz HLJSACTVYVQROX-ZIAGYGMSSA-N 1 0 306.410 3.158 20 5 DGBDRO CC(C)OC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000500368801 294111657 /nfs/dbraw/zinc/11/16/57/294111657.db2.gz FYKFVRRGBMLFMZ-LLVKDONJSA-N 1 0 300.786 3.194 20 5 DGBDRO CCc1cc(OC)ccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000500443466 294113502 /nfs/dbraw/zinc/11/35/02/294113502.db2.gz YMBOKKGRYWQEDY-UHFFFAOYSA-N 1 0 314.385 3.498 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000378267397 434126719 /nfs/dbraw/zinc/12/67/19/434126719.db2.gz CPKDEFIJKRYSGD-SCLBCKFNSA-N 1 0 311.385 3.432 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000504894842 294223479 /nfs/dbraw/zinc/22/34/79/294223479.db2.gz PBIRNNQRULEEMD-IUIKQTSFSA-N 1 0 322.405 3.458 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C1CC1 ZINC000504900516 294224250 /nfs/dbraw/zinc/22/42/50/294224250.db2.gz ZCVYFDMWIXYWLB-XJKSGUPXSA-N 1 0 324.446 3.216 20 5 DGBDRO CC(C)C[C@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000506239960 294267079 /nfs/dbraw/zinc/26/70/79/294267079.db2.gz GTLFVLZWUAHZEC-INIZCTEOSA-N 1 0 322.405 3.111 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1COC ZINC000353442396 434137080 /nfs/dbraw/zinc/13/70/80/434137080.db2.gz VHASZYAAGQHTLJ-HNNXBMFYSA-N 1 0 321.421 3.418 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000315567263 434169021 /nfs/dbraw/zinc/16/90/21/434169021.db2.gz KUNXLCGRHIJDPF-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000286213832 434196768 /nfs/dbraw/zinc/19/67/68/434196768.db2.gz QQPPJCJVLPHXFH-FZMZJTMJSA-N 1 0 321.402 3.500 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000437043009 434206133 /nfs/dbraw/zinc/20/61/33/434206133.db2.gz IWEYIZPHKHMWSG-MBNYWOFBSA-N 1 0 305.378 3.090 20 5 DGBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000514910512 294526148 /nfs/dbraw/zinc/52/61/48/294526148.db2.gz ZEDVIMNBOZULRW-NZUILWFCSA-N 1 0 304.390 3.073 20 5 DGBDRO CCOc1ccc([C@@H](C)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000353579892 434245368 /nfs/dbraw/zinc/24/53/68/434245368.db2.gz VYGJJUZZSMQMAT-UONOGXRCSA-N 1 0 323.437 3.373 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000346268795 434247604 /nfs/dbraw/zinc/24/76/04/434247604.db2.gz USWCBDOKCTUQJD-GFCCVEGCSA-N 1 0 308.378 3.280 20 5 DGBDRO C[C@H]([N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)(C)O ZINC000295190715 434250741 /nfs/dbraw/zinc/25/07/41/434250741.db2.gz QZRCEZAJZNNEJT-VIFPVBQESA-N 1 0 320.311 3.205 20 5 DGBDRO CCCC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000516645853 294621892 /nfs/dbraw/zinc/62/18/92/294621892.db2.gz UPZSPXQQGQUFKU-UHFFFAOYSA-N 1 0 305.378 3.093 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CC2=CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000286927029 434298551 /nfs/dbraw/zinc/29/85/51/434298551.db2.gz FYSUDNIUKLEVRY-MRXNPFEDSA-N 1 0 302.374 3.254 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CCC[NH2+]2)c2ccccc2)c1 ZINC000423238200 434305200 /nfs/dbraw/zinc/30/52/00/434305200.db2.gz QVSBFINHDHLKEQ-AEFFLSMTSA-N 1 0 311.385 3.026 20 5 DGBDRO C[C@H](CCCO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417354645 434366794 /nfs/dbraw/zinc/36/67/94/434366794.db2.gz ZWDGFGRXHWVMFO-DYVFJYSZSA-N 1 0 306.406 3.361 20 5 DGBDRO CC(C)[C@@H]([NH3+])CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423282821 434340211 /nfs/dbraw/zinc/34/02/11/434340211.db2.gz WJXPQFPEJDIOSM-ZWKOTPCHSA-N 1 0 313.401 3.257 20 5 DGBDRO CC(C)[C@H]([NH3+])CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423282818 434340320 /nfs/dbraw/zinc/34/03/20/434340320.db2.gz WJXPQFPEJDIOSM-MSOLQXFVSA-N 1 0 313.401 3.257 20 5 DGBDRO CCOc1cccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000388990248 434340983 /nfs/dbraw/zinc/34/09/83/434340983.db2.gz PFQCLDKDMPQAPQ-ZDUSSCGKSA-N 1 0 307.394 3.136 20 5 DGBDRO CCCC[C@H](C[NH3+])N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423300186 434347904 /nfs/dbraw/zinc/34/79/04/434347904.db2.gz RBJCTCZLXBUGLT-GXTWGEPZSA-N 1 0 309.410 3.162 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCSCCCO)CCCC2 ZINC000417310580 434350749 /nfs/dbraw/zinc/35/07/49/434350749.db2.gz KLVOEMDVRUPZPK-INIZCTEOSA-N 1 0 324.446 3.068 20 5 DGBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318632 434355457 /nfs/dbraw/zinc/35/54/57/434355457.db2.gz ZGKCKEROYMPJSN-ZLIFDBKOSA-N 1 0 306.406 3.359 20 5 DGBDRO COCCOCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417324653 434355544 /nfs/dbraw/zinc/35/55/44/434355544.db2.gz QCTXSZPIWCXRAW-KRWDZBQOSA-N 1 0 322.405 3.005 20 5 DGBDRO COCCOCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417324658 434355773 /nfs/dbraw/zinc/35/57/73/434355773.db2.gz QCTXSZPIWCXRAW-QGZVFWFLSA-N 1 0 322.405 3.005 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOCC(F)F)CCCC2 ZINC000417329335 434358062 /nfs/dbraw/zinc/35/80/62/434358062.db2.gz JKSJYNRWGTZTLE-AWEZNQCLSA-N 1 0 314.332 3.234 20 5 DGBDRO COc1ccccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000348670254 434438893 /nfs/dbraw/zinc/43/88/93/434438893.db2.gz ILMBLIVEGIJBIE-UHFFFAOYSA-N 1 0 300.358 3.278 20 5 DGBDRO C[C@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423530898 434475787 /nfs/dbraw/zinc/47/57/87/434475787.db2.gz PUFOYXBENRFWJT-DOPJRALCSA-N 1 0 311.385 3.001 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000366651111 434477436 /nfs/dbraw/zinc/47/74/36/434477436.db2.gz HJKWSXPITGAAIA-AAEUAGOBSA-N 1 0 310.781 3.107 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000287898112 434477355 /nfs/dbraw/zinc/47/73/55/434477355.db2.gz ZMBHNWNTFLATDS-UFGOTCBOSA-N 1 0 318.295 3.355 20 5 DGBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000353881695 434497581 /nfs/dbraw/zinc/49/75/81/434497581.db2.gz MFDYEDKIGNULGE-CQSZACIVSA-N 1 0 302.330 3.076 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1F ZINC000296081449 434501319 /nfs/dbraw/zinc/50/13/19/434501319.db2.gz SLOQZUVDGXGGMT-MAZHCROVSA-N 1 0 320.364 3.171 20 5 DGBDRO Cc1cc(N2CCC[C@@H]2C[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000360066264 434503076 /nfs/dbraw/zinc/50/30/76/434503076.db2.gz OIDPCUYYFPOZCP-CYBMUJFWSA-N 1 0 307.369 3.107 20 5 DGBDRO CC(C)Cn1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000296093249 434504264 /nfs/dbraw/zinc/50/42/64/434504264.db2.gz RINTWWCXJXKWBY-ZDUSSCGKSA-N 1 0 302.378 3.298 20 5 DGBDRO CCOc1cc(NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000450880386 434457041 /nfs/dbraw/zinc/45/70/41/434457041.db2.gz PNTOTDABOIGGEP-UHFFFAOYSA-N 1 0 319.405 3.422 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000366853419 434523183 /nfs/dbraw/zinc/52/31/83/434523183.db2.gz PETFFJOVJWVOIR-ZDUSSCGKSA-N 1 0 324.808 3.497 20 5 DGBDRO Cc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])ccc1F ZINC000348890994 434545542 /nfs/dbraw/zinc/54/55/42/434545542.db2.gz GECDOIXPSHMMLS-UHFFFAOYSA-N 1 0 303.337 3.008 20 5 DGBDRO Cc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1F ZINC000348932731 434559046 /nfs/dbraw/zinc/55/90/46/434559046.db2.gz GPJFCASSHOFCMJ-UHFFFAOYSA-N 1 0 303.337 3.008 20 5 DGBDRO C[C@H]1Cc2ccccc2C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000525637839 295023095 /nfs/dbraw/zinc/02/30/95/295023095.db2.gz HCJACBXTXDLTED-AWEZNQCLSA-N 1 0 312.369 3.420 20 5 DGBDRO CCCC[NH+]1CCC(Nc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000525699023 295027032 /nfs/dbraw/zinc/02/70/32/295027032.db2.gz XDTIPUVOEPGOQH-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO [NH3+]CCN(Cc1cc(F)cc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000348937865 434562509 /nfs/dbraw/zinc/56/25/09/434562509.db2.gz WOHSRKVRLLLHTB-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCn1ccnc1 ZINC000527288052 295089413 /nfs/dbraw/zinc/08/94/13/295089413.db2.gz CAFNZQXCTNFDRH-RVDMUPIBSA-N 1 0 314.389 3.265 20 5 DGBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000354012785 434573946 /nfs/dbraw/zinc/57/39/46/434573946.db2.gz AVHOREODRFJFML-ZDUSSCGKSA-N 1 0 319.405 3.291 20 5 DGBDRO COc1ccc(C[N@@H+]2CCSC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000418130731 434595814 /nfs/dbraw/zinc/59/58/14/434595814.db2.gz VIGKHGPTSJZTJO-OAHLLOKOSA-N 1 0 322.430 3.321 20 5 DGBDRO COc1ccc(C[N@@H+]2CCSC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000418130729 434596058 /nfs/dbraw/zinc/59/60/58/434596058.db2.gz VIGKHGPTSJZTJO-HNNXBMFYSA-N 1 0 322.430 3.321 20 5 DGBDRO CC1CC[NH+](CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000349147827 434620875 /nfs/dbraw/zinc/62/08/75/434620875.db2.gz YRCUGQYYZYGDKF-UHFFFAOYSA-N 1 0 314.389 3.190 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1C ZINC000349204231 434635513 /nfs/dbraw/zinc/63/55/13/434635513.db2.gz WIPUOCLGKSYOIQ-ZIAGYGMSSA-N 1 0 323.462 3.149 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000424313565 434691718 /nfs/dbraw/zinc/69/17/18/434691718.db2.gz JKCPBBJDAGEFSC-ZKYQVNSYSA-N 1 0 318.398 3.497 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H](C)C1 ZINC000360621604 434651956 /nfs/dbraw/zinc/65/19/56/434651956.db2.gz TZHYWJRXHNABSG-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1cccc2c1C[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000459687069 434664984 /nfs/dbraw/zinc/66/49/84/434664984.db2.gz CEWYKYTUNPURQE-HNNXBMFYSA-N 1 0 312.369 3.169 20 5 DGBDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000459723964 434677087 /nfs/dbraw/zinc/67/70/87/434677087.db2.gz VXIFPDGWVWYQMB-HNNXBMFYSA-N 1 0 322.405 3.385 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C2(CO)CCSCC2)cc1[N+](=O)[O-] ZINC000459736420 434687411 /nfs/dbraw/zinc/68/74/11/434687411.db2.gz VZGNSUAFZLRRFU-UHFFFAOYSA-N 1 0 324.446 3.066 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000360961679 434745113 /nfs/dbraw/zinc/74/51/13/434745113.db2.gz STTBYTTZEDDDJN-GFCCVEGCSA-N 1 0 323.441 3.042 20 5 DGBDRO C[C@H](C[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459765932 434706473 /nfs/dbraw/zinc/70/64/73/434706473.db2.gz JONFSJOAFSEPIF-GFCCVEGCSA-N 1 0 308.378 3.004 20 5 DGBDRO CCN(CCC[NH+]1CCCC1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349414548 434710454 /nfs/dbraw/zinc/71/04/54/434710454.db2.gz HBTFUMADEXPHES-UHFFFAOYSA-N 1 0 305.422 3.211 20 5 DGBDRO C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000360851968 434711883 /nfs/dbraw/zinc/71/18/83/434711883.db2.gz SZHOVQRRKLBKIN-RISCZKNCSA-N 1 0 318.352 3.051 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCc2cccc(-n3ccnc3)c2)n1 ZINC000360871400 434716213 /nfs/dbraw/zinc/71/62/13/434716213.db2.gz LRHFZVOKJUJYPH-UHFFFAOYSA-N 1 0 309.329 3.096 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1OCC[N@H+](C)Cc1ccccc1 ZINC000418799848 434718238 /nfs/dbraw/zinc/71/82/38/434718238.db2.gz BLELUZRJZWLLOQ-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000459781933 434718570 /nfs/dbraw/zinc/71/85/70/434718570.db2.gz YUZPCAAHDATUPG-HZPDHXFCSA-N 1 0 320.389 3.041 20 5 DGBDRO CCC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000459800513 434725447 /nfs/dbraw/zinc/72/54/47/434725447.db2.gz KHGSRXUXJORLQU-MRXNPFEDSA-N 1 0 319.405 3.116 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000360994261 434757855 /nfs/dbraw/zinc/75/78/55/434757855.db2.gz ICJKOLPQWIIKQC-AWEZNQCLSA-N 1 0 319.405 3.108 20 5 DGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411306876 434760866 /nfs/dbraw/zinc/76/08/66/434760866.db2.gz WUANUWZGAQNLKI-JSGCOSHPSA-N 1 0 305.378 3.044 20 5 DGBDRO CCC1(CC)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000453017484 434776039 /nfs/dbraw/zinc/77/60/39/434776039.db2.gz NORYHTBBVJBMKB-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO CC(C)c1ccc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000361155386 434815223 /nfs/dbraw/zinc/81/52/23/434815223.db2.gz PHUNHDHMHMHHOK-UONOGXRCSA-N 1 0 305.422 3.243 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000453149025 434817787 /nfs/dbraw/zinc/81/77/87/434817787.db2.gz KHCHVVCSXSMCHH-CZUORRHYSA-N 1 0 314.389 3.410 20 5 DGBDRO COc1cc(NC[C@H]2CCCn3cc(C)nc32)ccc1[N+](=O)[O-] ZINC000361190887 434827104 /nfs/dbraw/zinc/82/71/04/434827104.db2.gz XXFMLAQMPJDMMY-GFCCVEGCSA-N 1 0 316.361 3.098 20 5 DGBDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000372525153 434838578 /nfs/dbraw/zinc/83/85/78/434838578.db2.gz XLPIOCKOEQMNSU-JCURWCKSSA-N 1 0 304.390 3.451 20 5 DGBDRO CCC[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000453253872 434842128 /nfs/dbraw/zinc/84/21/28/434842128.db2.gz QBHLOFLRPJXBIF-JKSUJKDBSA-N 1 0 306.406 3.321 20 5 DGBDRO CCOc1cccc(N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000372601435 434842504 /nfs/dbraw/zinc/84/25/04/434842504.db2.gz SIBAJAVAJNPOKL-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO Cc1c(-c2noc(C[NH+]3[C@@H](C)CC[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000453264731 434845227 /nfs/dbraw/zinc/84/52/27/434845227.db2.gz VTBXTICBTGGSPI-QWRGUYRKSA-N 1 0 316.361 3.326 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412042008 434860041 /nfs/dbraw/zinc/86/00/41/434860041.db2.gz MARULWYTVBMSLS-NEPJUHHUSA-N 1 0 305.378 3.042 20 5 DGBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461954774 434894128 /nfs/dbraw/zinc/89/41/28/434894128.db2.gz DVJCBLVKIZRIFA-CYBMUJFWSA-N 1 0 307.369 3.107 20 5 DGBDRO Cc1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000461959520 434894577 /nfs/dbraw/zinc/89/45/77/434894577.db2.gz SXXPFZDRUASPIA-CYBMUJFWSA-N 1 0 309.385 3.432 20 5 DGBDRO CN(C)C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000573459267 434901573 /nfs/dbraw/zinc/90/15/73/434901573.db2.gz YKQONHJMOFQIEZ-HNNXBMFYSA-N 1 0 303.406 3.046 20 5 DGBDRO CC(C)([NH2+]Cc1cnc2ccccn12)c1ccccc1[N+](=O)[O-] ZINC000492109802 434917666 /nfs/dbraw/zinc/91/76/66/434917666.db2.gz SPEODIFCZGTDHX-UHFFFAOYSA-N 1 0 310.357 3.267 20 5 DGBDRO CCC(CC)(CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000554854494 434951685 /nfs/dbraw/zinc/95/16/85/434951685.db2.gz VCNPQZAKBRWFGY-UHFFFAOYSA-N 1 0 324.421 3.413 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000524893398 434995518 /nfs/dbraw/zinc/99/55/18/434995518.db2.gz QOZIWFMBITZPTO-HZPDHXFCSA-N 1 0 322.405 3.109 20 5 DGBDRO COC1([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000574680458 434995566 /nfs/dbraw/zinc/99/55/66/434995566.db2.gz RDOXCVPVYPWNSW-KBPBESRZSA-N 1 0 322.405 3.138 20 5 DGBDRO CC[NH+]1CCC(CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000556196593 435000244 /nfs/dbraw/zinc/00/02/44/435000244.db2.gz HJAKEUVSADQDKW-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000530962798 435063483 /nfs/dbraw/zinc/06/34/83/435063483.db2.gz YAWMEQVCHSRDLL-KRWDZBQOSA-N 1 0 313.357 3.206 20 5 DGBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000578244804 435070527 /nfs/dbraw/zinc/07/05/27/435070527.db2.gz LMKXCHDECLXHCG-GXTWGEPZSA-N 1 0 315.373 3.166 20 5 DGBDRO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000466491703 435080280 /nfs/dbraw/zinc/08/02/80/435080280.db2.gz XTFVQCKFWKCSBS-CQSZACIVSA-N 1 0 319.405 3.354 20 5 DGBDRO CC(C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000467169884 435111328 /nfs/dbraw/zinc/11/13/28/435111328.db2.gz FCKSHGRTVFPNAB-KBPBESRZSA-N 1 0 319.405 3.290 20 5 DGBDRO C[C@H](CN1CCC(C)CC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000579375327 435149907 /nfs/dbraw/zinc/14/99/07/435149907.db2.gz FJPGRLYUZMFAGS-HUUCEWRRSA-N 1 0 305.422 3.366 20 5 DGBDRO CC(C)[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000559497540 435132750 /nfs/dbraw/zinc/13/27/50/435132750.db2.gz NGAFLZIPXAZEEG-HNNXBMFYSA-N 1 0 312.797 3.495 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000560608564 435184292 /nfs/dbraw/zinc/18/42/92/435184292.db2.gz RTDIEXGKILQJKV-JQDFIBCJSA-N 1 0 303.406 3.023 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1Cc2ccccc2C1 ZINC000579417772 435153440 /nfs/dbraw/zinc/15/34/40/435153440.db2.gz PPVQGTHDODWFRF-UHFFFAOYSA-N 1 0 312.369 3.108 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C2CCC1CC2 ZINC000532466967 435167487 /nfs/dbraw/zinc/16/74/87/435167487.db2.gz YYVQVYVFFJDHRJ-PKSQDBQZSA-N 1 0 314.345 3.333 20 5 DGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)[C@H](C)C1 ZINC000561359196 435213923 /nfs/dbraw/zinc/21/39/23/435213923.db2.gz WBUMGHQDTOQDBR-CYBMUJFWSA-N 1 0 321.421 3.303 20 5 DGBDRO Cc1cc(NC[C@@H](C)C(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000475728810 435209630 /nfs/dbraw/zinc/20/96/30/435209630.db2.gz BZRUJWFQKDUFDA-MRVPVSSYSA-N 1 0 313.279 3.484 20 5 DGBDRO C[C@H](NCC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000477917905 435286461 /nfs/dbraw/zinc/28/64/61/435286461.db2.gz BCBNSOBIEUTPID-AWEZNQCLSA-N 1 0 305.422 3.367 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(OC)CCCCC1 ZINC000479416677 435330814 /nfs/dbraw/zinc/33/08/14/435330814.db2.gz ZELCXNVBXIVGRA-UHFFFAOYSA-N 1 0 322.405 3.432 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000480055467 435365162 /nfs/dbraw/zinc/36/51/62/435365162.db2.gz BNNMZRHATRLPLV-UONOGXRCSA-N 1 0 319.405 3.472 20 5 DGBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CC[NH2+]C1 ZINC000567865172 435363519 /nfs/dbraw/zinc/36/35/19/435363519.db2.gz JEUXCFVRSDOIHO-CQSZACIVSA-N 1 0 317.414 3.117 20 5 DGBDRO C[C@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000536668893 435403438 /nfs/dbraw/zinc/40/34/38/435403438.db2.gz IHJXELPSZKZYLT-UWVGGRQHSA-N 1 0 300.305 3.284 20 5 DGBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000481108474 435410860 /nfs/dbraw/zinc/41/08/60/435410860.db2.gz LQYWEVNXUMKVHK-CHWSQXEVSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000481180931 435413750 /nfs/dbraw/zinc/41/37/50/435413750.db2.gz VGPZCHPJHOBWRM-HOCLYGCPSA-N 1 0 314.385 3.097 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000536850766 435417376 /nfs/dbraw/zinc/41/73/76/435417376.db2.gz GUANJPQGCOEHAQ-OCCSQVGLSA-N 1 0 319.405 3.480 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000536163207 435371901 /nfs/dbraw/zinc/37/19/01/435371901.db2.gz KZXUVRIZBJYUBB-ILXRZTDVSA-N 1 0 306.406 3.321 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2CCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000480315461 435375763 /nfs/dbraw/zinc/37/57/63/435375763.db2.gz RCFKENZXAVCKBH-JSGCOSHPSA-N 1 0 305.378 3.082 20 5 DGBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000536661691 435399163 /nfs/dbraw/zinc/39/91/63/435399163.db2.gz CHKHWZLIBYVXMZ-NXEZZACHSA-N 1 0 300.305 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000537649314 435460521 /nfs/dbraw/zinc/46/05/21/435460521.db2.gz ZMBCHOLKFWMAPM-NSHDSACASA-N 1 0 312.316 3.428 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000537972715 435478862 /nfs/dbraw/zinc/47/88/62/435478862.db2.gz YPWCRSZIWIWJPC-CQSZACIVSA-N 1 0 305.422 3.427 20 5 DGBDRO C[C@H](CN1CCC(C)CC1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514616143 435425299 /nfs/dbraw/zinc/42/52/99/435425299.db2.gz KNQWYAYFQKKGAG-HUUCEWRRSA-N 1 0 305.422 3.366 20 5 DGBDRO CC[C@H](C[N@H+](CC)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000481682891 435438171 /nfs/dbraw/zinc/43/81/71/435438171.db2.gz BGTWQYPVWVVPKM-OAHLLOKOSA-N 1 0 316.405 3.307 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000481752748 435442355 /nfs/dbraw/zinc/44/23/55/435442355.db2.gz WLPUEWJVFLYHQQ-SJORKVTESA-N 1 0 322.405 3.157 20 5 DGBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000569108701 435503806 /nfs/dbraw/zinc/50/38/06/435503806.db2.gz PUMDCQNTDOUXAB-UONOGXRCSA-N 1 0 304.390 3.484 20 5 DGBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538717487 435515349 /nfs/dbraw/zinc/51/53/49/435515349.db2.gz FBRLCSDFIZNIRO-CHWSQXEVSA-N 1 0 314.389 3.226 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000569258347 435518941 /nfs/dbraw/zinc/51/89/41/435518941.db2.gz CNKFLMQEKMFLJT-CXAGYDPISA-N 1 0 315.417 3.189 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H]2CCC2(C)C)cccc1[N+](=O)[O-] ZINC000516329931 435527533 /nfs/dbraw/zinc/52/75/33/435527533.db2.gz SBTUEPDLNSCBNN-RISCZKNCSA-N 1 0 305.378 3.008 20 5 DGBDRO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000569470143 435537089 /nfs/dbraw/zinc/53/70/89/435537089.db2.gz IFWLVTQOXKBGCC-UHFFFAOYSA-N 1 0 313.785 3.307 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CS1 ZINC000568945051 435484035 /nfs/dbraw/zinc/48/40/35/435484035.db2.gz QIHIJTVKERBYHE-SWLSCSKDSA-N 1 0 310.419 3.093 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000483097893 435492843 /nfs/dbraw/zinc/49/28/43/435492843.db2.gz AEMGVELYVMPDAM-CQSZACIVSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)Oc1nc(NC(C)(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000569708786 435554334 /nfs/dbraw/zinc/55/43/34/435554334.db2.gz SULCEWZDDWQDRF-UHFFFAOYSA-N 1 0 324.425 3.309 20 5 DGBDRO Cc1nn(C[C@H]2CC[C@H](C[NH3+])CC2)c2ccc([N+](=O)[O-])cc12 ZINC000516862347 435556848 /nfs/dbraw/zinc/55/68/48/435556848.db2.gz WUBNSCTYYHWSEP-JOCQHMNTSA-N 1 0 302.378 3.018 20 5 DGBDRO CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000539825940 435574403 /nfs/dbraw/zinc/57/44/03/435574403.db2.gz YSBLMKLCMVCUBK-CYBMUJFWSA-N 1 0 322.405 3.490 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000517285222 435588367 /nfs/dbraw/zinc/58/83/67/435588367.db2.gz PEVVOPUDZBNYHF-SMDDNHRTSA-N 1 0 307.394 3.336 20 5 DGBDRO CCc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000540169516 435590018 /nfs/dbraw/zinc/59/00/18/435590018.db2.gz VDXVZCSFYRTRGO-LBPRGKRZSA-N 1 0 304.346 3.480 20 5 DGBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803751 435615562 /nfs/dbraw/zinc/61/55/62/435615562.db2.gz SVSPMJSNJRJUBJ-ZFWWWQNUSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000518022047 435623530 /nfs/dbraw/zinc/62/35/30/435623530.db2.gz GTHVJQOIFYZGIW-CQSZACIVSA-N 1 0 312.369 3.420 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000488727931 435642818 /nfs/dbraw/zinc/64/28/18/435642818.db2.gz DYJFLSXIJFPDEZ-SQWLQELKSA-N 1 0 303.406 3.070 20 5 DGBDRO CCOc1cccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000571218328 435689199 /nfs/dbraw/zinc/68/91/99/435689199.db2.gz NFXDHOHPHLUWMK-NWDGAFQWSA-N 1 0 305.378 3.031 20 5 DGBDRO C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000450542506 300297117 /nfs/dbraw/zinc/29/71/17/300297117.db2.gz HSALZNFSXFSBJC-LLVKDONJSA-N 1 0 309.797 3.169 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000548486990 435698717 /nfs/dbraw/zinc/69/87/17/435698717.db2.gz CSFQHZVQADFJRC-GOEBONIOSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1cccc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000549199746 435747235 /nfs/dbraw/zinc/74/72/35/435747235.db2.gz KUJFJYBVSYLMOV-IVMMDQJWSA-N 1 0 303.406 3.070 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCC(C)CC1 ZINC000571536370 435714351 /nfs/dbraw/zinc/71/43/51/435714351.db2.gz FXQHLJNWSCOADV-RHSMWYFYSA-N 1 0 317.433 3.292 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)CCC2 ZINC000377078190 313013977 /nfs/dbraw/zinc/01/39/77/313013977.db2.gz NXWQSMJUUBCDRG-ZACQAIPSSA-N 1 0 302.374 3.129 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000377251228 313034031 /nfs/dbraw/zinc/03/40/31/313034031.db2.gz PMZDUMOUVZCRLA-NJELEJDNSA-N 1 0 316.401 3.357 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000536163210 313751609 /nfs/dbraw/zinc/75/16/09/313751609.db2.gz KZXUVRIZBJYUBB-RBSFLKMASA-N 1 0 306.406 3.321 20 5 DGBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000537611441 313823427 /nfs/dbraw/zinc/82/34/27/313823427.db2.gz DYABCRQSTLGDRH-OAHLLOKOSA-N 1 0 319.336 3.249 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H](SC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000543242411 314122747 /nfs/dbraw/zinc/12/27/47/314122747.db2.gz OGQYCQTZKQPIFY-CQSZACIVSA-N 1 0 312.435 3.471 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H](SC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000543242410 314123051 /nfs/dbraw/zinc/12/30/51/314123051.db2.gz OGQYCQTZKQPIFY-AWEZNQCLSA-N 1 0 312.435 3.471 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000544188348 314179269 /nfs/dbraw/zinc/17/92/69/314179269.db2.gz YRIFKYCPKAHWLF-CHWSQXEVSA-N 1 0 319.405 3.290 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000544188349 314179573 /nfs/dbraw/zinc/17/95/73/314179573.db2.gz YRIFKYCPKAHWLF-OLZOCXBDSA-N 1 0 319.405 3.290 20 5 DGBDRO CCc1ccc([C@H]([NH2+]CCCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544362875 314187982 /nfs/dbraw/zinc/18/79/82/314187982.db2.gz PQHUSBWLGOGCMR-QGZVFWFLSA-N 1 0 318.373 3.466 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C(C)(C)c1cnn(C)c1 ZINC000547414223 314365410 /nfs/dbraw/zinc/36/54/10/314365410.db2.gz NEADBXQKZLWZCT-LBPRGKRZSA-N 1 0 302.378 3.223 20 5 DGBDRO C[C@@H]1C[C@@H](C)[NH+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000548096945 314421032 /nfs/dbraw/zinc/42/10/32/314421032.db2.gz YDPDZVYTDABBGC-VXGBXAGGSA-N 1 0 301.346 3.275 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000555637693 314732068 /nfs/dbraw/zinc/73/20/68/314732068.db2.gz GCVIRLQOCHPLOF-XKHVPYPXSA-N 1 0 304.390 3.139 20 5 DGBDRO CO[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000559897034 314894412 /nfs/dbraw/zinc/89/44/12/314894412.db2.gz FKKHBGYTRJNFGC-HOTGVXAUSA-N 1 0 304.390 3.332 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000562107431 314997033 /nfs/dbraw/zinc/99/70/33/314997033.db2.gz SJLSFVXSTIONBJ-QLFBSQMISA-N 1 0 306.406 3.353 20 5 DGBDRO CCC(CC)[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000563998878 315152021 /nfs/dbraw/zinc/15/20/21/315152021.db2.gz NRFOPUREXVBHJG-UHFFFAOYSA-N 1 0 307.394 3.352 20 5 DGBDRO C[C@@H](COCC(F)(F)F)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475102 315350619 /nfs/dbraw/zinc/35/06/19/315350619.db2.gz JZAQGDZLRWERND-CABZTGNLSA-N 1 0 318.295 3.139 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000567857365 315455832 /nfs/dbraw/zinc/45/58/32/315455832.db2.gz CGXVUOXHFVYSEE-XQQFMLRXSA-N 1 0 310.419 3.233 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CO[C@H](C)C1 ZINC000567857364 315455929 /nfs/dbraw/zinc/45/59/29/315455929.db2.gz CGXVUOXHFVYSEE-UPJWGTAASA-N 1 0 310.419 3.233 20 5 DGBDRO COc1cccc2c1C[C@@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000570176750 315631481 /nfs/dbraw/zinc/63/14/81/315631481.db2.gz WLLZMFZHYQPUJS-SUMWQHHRSA-N 1 0 324.380 3.348 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCC2(C)C)cccc1[N+](=O)[O-] ZINC000571222527 315705672 /nfs/dbraw/zinc/70/56/72/315705672.db2.gz GLASGZFREIOCLQ-AWEZNQCLSA-N 1 0 305.378 3.010 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000576221157 316107227 /nfs/dbraw/zinc/10/72/27/316107227.db2.gz YBZHBWGECDVFFX-RDTXWAMCSA-N 1 0 314.385 3.157 20 5 DGBDRO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000576523367 316139638 /nfs/dbraw/zinc/13/96/38/316139638.db2.gz HNSHUBIQCFELHO-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)CC1CCCC1 ZINC000576886060 316179262 /nfs/dbraw/zinc/17/92/62/316179262.db2.gz HFEBOMMQDNUQHA-CJNGLKHVSA-N 1 0 304.390 3.113 20 5 DGBDRO C[C@@H]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000577481688 316239391 /nfs/dbraw/zinc/23/93/91/316239391.db2.gz DGKICFHRHWENIZ-KGLIPLIRSA-N 1 0 319.405 3.339 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CCO)c1ccccc1 ZINC000577962765 316289780 /nfs/dbraw/zinc/28/97/80/316289780.db2.gz FFKKMJXXNRQBIX-SJORKVTESA-N 1 0 312.369 3.295 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CCOCC1 ZINC000179854750 323215506 /nfs/dbraw/zinc/21/55/06/323215506.db2.gz IFSKPZFYZPPIQD-CYBMUJFWSA-N 1 0 322.405 3.287 20 5 DGBDRO CC(C)(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000181056049 323245022 /nfs/dbraw/zinc/24/50/22/323245022.db2.gz WJUOQMPISJHNLL-HNNXBMFYSA-N 1 0 320.368 3.307 20 5 DGBDRO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000181150190 323247678 /nfs/dbraw/zinc/24/76/78/323247678.db2.gz UDBCEIAUKIXLIS-UHFFFAOYSA-N 1 0 314.385 3.368 20 5 DGBDRO Cc1cc(N2C[C@@H](C)OC(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181475596 323255682 /nfs/dbraw/zinc/25/56/82/323255682.db2.gz UKFMGCYEJLQVEH-GFCCVEGCSA-N 1 0 315.373 3.455 20 5 DGBDRO CC(C)[N@H+](CCCn1ccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000182700141 323309014 /nfs/dbraw/zinc/30/90/14/323309014.db2.gz MTYFGDUSEPXLBJ-UHFFFAOYSA-N 1 0 302.378 3.092 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)C1CCCCC1 ZINC000182935273 323316849 /nfs/dbraw/zinc/31/68/49/323316849.db2.gz ISMLBBZFOJXUHS-CYBMUJFWSA-N 1 0 319.405 3.400 20 5 DGBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000390880594 323668584 /nfs/dbraw/zinc/66/85/84/323668584.db2.gz SVOKFUKJMYWISY-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1COCc2ccccc21 ZINC000580216419 323973363 /nfs/dbraw/zinc/97/33/63/323973363.db2.gz XPKZILGLYLXFEL-IRXDYDNUSA-N 1 0 310.353 3.443 20 5 DGBDRO CC(C)[N@H+](C)CC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000580589999 324017051 /nfs/dbraw/zinc/01/70/51/324017051.db2.gz SNQWICAONRWSGR-UHFFFAOYSA-N 1 0 309.385 3.291 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000582013202 324179627 /nfs/dbraw/zinc/17/96/27/324179627.db2.gz DLBMCZOCUXSJHF-WMLDXEAASA-N 1 0 318.417 3.361 20 5 DGBDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000582645806 324256214 /nfs/dbraw/zinc/25/62/14/324256214.db2.gz XGRHAZFFRHIFQD-IAGOWNOFSA-N 1 0 318.417 3.359 20 5 DGBDRO CC[NH+](CC)CCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000582730296 324267949 /nfs/dbraw/zinc/26/79/49/324267949.db2.gz REYDXZIJTXFRFO-ZDUSSCGKSA-N 1 0 319.327 3.130 20 5 DGBDRO CSC[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000292457755 533807011 /nfs/dbraw/zinc/80/70/11/533807011.db2.gz QBXMNDZLXJFKOW-ZDUSSCGKSA-N 1 0 310.419 3.049 20 5 DGBDRO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330817090 533815905 /nfs/dbraw/zinc/81/59/05/533815905.db2.gz GIYGQXQOIQGYLR-AVGNSLFASA-N 1 0 319.405 3.336 20 5 DGBDRO C[C@H]([NH2+]CC(=O)NC1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296761058 533820233 /nfs/dbraw/zinc/82/02/33/533820233.db2.gz QNYKWRBTYJBGNB-ZDUSSCGKSA-N 1 0 319.405 3.084 20 5 DGBDRO Cc1c(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000318457801 533842560 /nfs/dbraw/zinc/84/25/60/533842560.db2.gz QLYFYYSZPUIVMA-CZUORRHYSA-N 1 0 306.406 3.419 20 5 DGBDRO C[C@H](CCNc1ncc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000302149187 533945413 /nfs/dbraw/zinc/94/54/13/533945413.db2.gz LOJLOGPWURYRLP-LLVKDONJSA-N 1 0 312.801 3.320 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000432320654 533970786 /nfs/dbraw/zinc/97/07/86/533970786.db2.gz ALSIVSJIPFKHST-NEPJUHHUSA-N 1 0 312.373 3.180 20 5 DGBDRO [NH3+]C1(c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000424342073 534552470 /nfs/dbraw/zinc/55/24/70/534552470.db2.gz WXBSCLXAQHXZNI-FPLPWBNLSA-N 1 0 314.345 3.266 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](CO)C3)o2)cc1 ZINC000154609242 534881208 /nfs/dbraw/zinc/88/12/08/534881208.db2.gz IDJXDILHXMNEIY-ZDUSSCGKSA-N 1 0 316.357 3.059 20 5 DGBDRO O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435726079 534887337 /nfs/dbraw/zinc/88/73/37/534887337.db2.gz LNZYMSLATSCAMJ-QGZVFWFLSA-N 1 0 317.433 3.482 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000322725262 534882644 /nfs/dbraw/zinc/88/26/44/534882644.db2.gz RYSHNCULIGFMBU-OLZOCXBDSA-N 1 0 312.373 3.182 20 5 DGBDRO CCC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444635493 527749956 /nfs/dbraw/zinc/74/99/56/527749956.db2.gz DGFZEVJEBFXZDI-GFCCVEGCSA-N 1 0 302.378 3.483 20 5 DGBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000444784275 527946986 /nfs/dbraw/zinc/94/69/86/527946986.db2.gz NOMYAAXSPGVFMK-HNNXBMFYSA-N 1 0 312.797 3.375 20 5 DGBDRO CC(C)[C@]1(CO)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000292966103 527992757 /nfs/dbraw/zinc/99/27/57/527992757.db2.gz GDAYVSXCZOQASA-WMLDXEAASA-N 1 0 306.406 3.386 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415134941 528094336 /nfs/dbraw/zinc/09/43/36/528094336.db2.gz WNHBPHSGSVNJOW-UKRRQHHQSA-N 1 0 305.422 3.135 20 5 DGBDRO CCC[C@H]([NH2+]CCc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000318581397 528220731 /nfs/dbraw/zinc/22/07/31/528220731.db2.gz RZVYEELOTUBTDB-INIZCTEOSA-N 1 0 302.378 3.002 20 5 DGBDRO CC1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301257742 528241334 /nfs/dbraw/zinc/24/13/34/528241334.db2.gz FBWSAJAVYDWCOL-UHFFFAOYSA-N 1 0 312.801 3.177 20 5 DGBDRO CCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413131087 528349032 /nfs/dbraw/zinc/34/90/32/528349032.db2.gz DSZGTKYLDZHDHM-UHFFFAOYSA-N 1 0 320.315 3.152 20 5 DGBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000444764265 528516519 /nfs/dbraw/zinc/51/65/19/528516519.db2.gz GDRGHBFDEGSUIA-OAHLLOKOSA-N 1 0 312.797 3.375 20 5 DGBDRO CC(C)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000430094018 528580643 /nfs/dbraw/zinc/58/06/43/528580643.db2.gz JTKFFYGNGFMEHT-CTEOGUNLSA-N 1 0 318.417 3.385 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2CC)cc1[N+](=O)[O-] ZINC000414206934 528596847 /nfs/dbraw/zinc/59/68/47/528596847.db2.gz KGILEKCITXPQHX-KYOSRNDESA-N 1 0 308.378 3.212 20 5 DGBDRO CCOc1cccc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000302139470 528675411 /nfs/dbraw/zinc/67/54/11/528675411.db2.gz GBSQVHCNKNQTQA-CHWSQXEVSA-N 1 0 307.394 3.278 20 5 DGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC(C)(C)O ZINC000293080876 528768663 /nfs/dbraw/zinc/76/86/63/528768663.db2.gz MMLRLMCMCPVCPT-UHFFFAOYSA-N 1 0 320.311 3.206 20 5 DGBDRO CC(C)[C@@H]1[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000431118943 528811330 /nfs/dbraw/zinc/81/13/30/528811330.db2.gz PDRJQQIRTLAQPM-INIZCTEOSA-N 1 0 319.405 3.290 20 5 DGBDRO CC(C)[N@H+](C)CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000319001964 528819288 /nfs/dbraw/zinc/81/92/88/528819288.db2.gz PZRWVGZVBAZYJS-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000320433770 528833328 /nfs/dbraw/zinc/83/33/28/528833328.db2.gz VPGARTCLMGLMDV-LBPRGKRZSA-N 1 0 302.378 3.284 20 5 DGBDRO CC[NH+]1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000314457058 528989201 /nfs/dbraw/zinc/98/92/01/528989201.db2.gz FGICKEVRUPGOMJ-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[C@H]1CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292566290 529244767 /nfs/dbraw/zinc/24/47/67/529244767.db2.gz ZQNCDJAESREEOK-ZDUSSCGKSA-N 1 0 301.346 3.277 20 5 DGBDRO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296773905 529269815 /nfs/dbraw/zinc/26/98/15/529269815.db2.gz RNODTFKXSIRSRS-DZGCQCFKSA-N 1 0 319.405 3.037 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429784465 529312449 /nfs/dbraw/zinc/31/24/49/529312449.db2.gz JMMUNBANHNNQJK-JMSVASOKSA-N 1 0 305.378 3.090 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429768184 529322223 /nfs/dbraw/zinc/32/22/23/529322223.db2.gz ADTSEEKJRLXNEL-LALPHHSUSA-N 1 0 305.378 3.090 20 5 DGBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449634579 536552372 /nfs/dbraw/zinc/55/23/72/536552372.db2.gz WEWCACROWAHPTL-IGCXYCKISA-N 1 0 306.406 3.319 20 5 DGBDRO CCCCC[N@H+](CCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470175478 535041544 /nfs/dbraw/zinc/04/15/44/535041544.db2.gz QQPIDBVLMBTGKK-QINSGFPZSA-N 1 0 306.406 3.483 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000451479352 535072739 /nfs/dbraw/zinc/07/27/39/535072739.db2.gz MRBWZPZYZBAIJR-KMUNFCNLSA-N 1 0 308.353 3.027 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451477815 535508863 /nfs/dbraw/zinc/50/88/63/535508863.db2.gz XRVIKKOMFHSNMY-LSDHHAIUSA-N 1 0 308.353 3.171 20 5 DGBDRO CCN(CC)C[C@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482515327 535590439 /nfs/dbraw/zinc/59/04/39/535590439.db2.gz WPMLEERQFSNVQW-YOEHRIQHSA-N 1 0 319.449 3.236 20 5 DGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000452051455 535744372 /nfs/dbraw/zinc/74/43/72/535744372.db2.gz LPGYDICVEUNCBA-HUUCEWRRSA-N 1 0 314.332 3.310 20 5 DGBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000449147892 536354187 /nfs/dbraw/zinc/35/41/87/536354187.db2.gz IKEWHQGDIRSVAA-OCCSQVGLSA-N 1 0 321.421 3.105 20 5 DGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000494481924 536604462 /nfs/dbraw/zinc/60/44/62/536604462.db2.gz CXPVKLGZAYYJQF-FRFSOERESA-N 1 0 306.406 3.463 20 5 DGBDRO COc1cc(C)ccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000449211672 536652264 /nfs/dbraw/zinc/65/22/64/536652264.db2.gz TXKLZKNACOPEOY-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000730806439 574536230 /nfs/dbraw/zinc/53/62/30/574536230.db2.gz JNEOMNYUVBSZJI-ZDUSSCGKSA-N 1 0 309.797 3.313 20 5 DGBDRO CCCC[N@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000732806141 574583683 /nfs/dbraw/zinc/58/36/83/574583683.db2.gz WRLRIFSKVAKDDM-UHFFFAOYSA-N 1 0 308.407 3.348 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000734846286 574678544 /nfs/dbraw/zinc/67/85/44/574678544.db2.gz PWRTWFWRCAIJFB-PBHICJAKSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000734846290 574678738 /nfs/dbraw/zinc/67/87/38/574678738.db2.gz PWRTWFWRCAIJFB-WMLDXEAASA-N 1 0 314.385 3.157 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc2ccccc2c1 ZINC000742380897 574994659 /nfs/dbraw/zinc/99/46/59/574994659.db2.gz TZQNIYZQLPLZHE-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000742425130 574999200 /nfs/dbraw/zinc/99/92/00/574999200.db2.gz KVAYYDKUGRLYQJ-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cccn2)CC1 ZINC000743849450 575065221 /nfs/dbraw/zinc/06/52/21/575065221.db2.gz PUNKVBMWNBNIJG-CYBMUJFWSA-N 1 0 300.362 3.189 20 5 DGBDRO C[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCCC1 ZINC000728897175 575192421 /nfs/dbraw/zinc/19/24/21/575192421.db2.gz KQEZCOWBBRXVPT-UHFFFAOYSA-N 1 0 300.362 3.290 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000747206197 575505628 /nfs/dbraw/zinc/50/56/28/575505628.db2.gz KOOJDPBGGGMTBV-LLVKDONJSA-N 1 0 313.373 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3c2cccc3F)cc1 ZINC000747815914 575542978 /nfs/dbraw/zinc/54/29/78/575542978.db2.gz YRXNKOCQENHLCN-DLBZAZTESA-N 1 0 316.332 3.044 20 5 DGBDRO Cc1ccc(C[NH2+]CCN2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000748819842 575609574 /nfs/dbraw/zinc/60/95/74/575609574.db2.gz PBOPGEHQQUAXKZ-UHFFFAOYSA-N 1 0 311.385 3.056 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000749279132 575641439 /nfs/dbraw/zinc/64/14/39/575641439.db2.gz DXAQQZZQHQLMDT-QWRGUYRKSA-N 1 0 320.418 3.489 20 5 DGBDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749675430 575671887 /nfs/dbraw/zinc/67/18/87/575671887.db2.gz LFNRZSSXRFVUOH-KDOFPFPSSA-N 1 0 314.385 3.157 20 5 DGBDRO C[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000750037886 575699341 /nfs/dbraw/zinc/69/93/41/575699341.db2.gz SIQFMDRDPJJJNT-SCLBCKFNSA-N 1 0 312.369 3.248 20 5 DGBDRO CC(C)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750075563 575702250 /nfs/dbraw/zinc/70/22/50/575702250.db2.gz KQCIRMJIJVIXLF-YOEHRIQHSA-N 1 0 306.406 3.386 20 5 DGBDRO C[C@H]1C[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H]1C ZINC000751926646 575812144 /nfs/dbraw/zinc/81/21/44/575812144.db2.gz ICTZDSVWTDXKRH-STQMWFEESA-N 1 0 300.362 3.004 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCN1CCc2ccccc21 ZINC000726605982 576032301 /nfs/dbraw/zinc/03/23/01/576032301.db2.gz OHIQNIDQGQSJPF-YVMONPNESA-N 1 0 323.396 3.260 20 5 DGBDRO CN1C[C@H]([NH2+]Cc2c3ccccc3cc3ccccc32)CC1=O ZINC000726797707 576042234 /nfs/dbraw/zinc/04/22/34/576042234.db2.gz REIMNGYSBHXGAL-MRXNPFEDSA-N 1 0 304.393 3.313 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC000852673370 620639505 /nfs/dbraw/zinc/63/95/05/620639505.db2.gz HVIFCUIZYOQOAT-RDJZCZTQSA-N 1 0 304.390 3.140 20 5 DGBDRO [NH3+][C@H]1CCc2ccccc2N(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852755245 620646223 /nfs/dbraw/zinc/64/62/23/620646223.db2.gz IPNWYOUMYKXXFH-HNNXBMFYSA-N 1 0 315.348 3.014 20 5 DGBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CC1(C)C ZINC000852771285 620647129 /nfs/dbraw/zinc/64/71/29/620647129.db2.gz DCSBQKPGIWLWNM-NSHDSACASA-N 1 0 323.368 3.040 20 5 DGBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000853123301 620671799 /nfs/dbraw/zinc/67/17/99/620671799.db2.gz YGCCCNLGKZURCN-GUYCJALGSA-N 1 0 306.406 3.434 20 5 DGBDRO CCC[N@@H+]1CC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000853906360 620751819 /nfs/dbraw/zinc/75/18/19/620751819.db2.gz NLKIWPSPKKQWDT-JTQLQIEISA-N 1 0 306.391 3.101 20 5 DGBDRO COc1c(O)ccc(CN2CC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000891401963 617792986 /nfs/dbraw/zinc/79/29/86/617792986.db2.gz MAIFDZYHLLALMZ-AWEZNQCLSA-N 1 0 314.341 3.256 20 5 DGBDRO COc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000891622728 617854761 /nfs/dbraw/zinc/85/47/61/617854761.db2.gz IYTPQQANJHFZJX-UHFFFAOYSA-N 1 0 302.330 3.361 20 5 DGBDRO CN(Cc1cnn(CC2CCC2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000891622629 617855614 /nfs/dbraw/zinc/85/56/14/617855614.db2.gz ZNNTZPFFKPPUCP-UHFFFAOYSA-N 1 0 314.389 3.223 20 5 DGBDRO COc1c(O)ccc(C[N@H+]([C@@H](C)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000891669169 617863884 /nfs/dbraw/zinc/86/38/84/617863884.db2.gz WISJKAUQVJEGMY-JTQLQIEISA-N 1 0 306.362 3.072 20 5 DGBDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000840870919 618043994 /nfs/dbraw/zinc/04/39/94/618043994.db2.gz AVPGKBZKNQRQFU-RKDXNWHRSA-N 1 0 305.300 3.416 20 5 DGBDRO Cc1c(-c2noc(C[C@@H](C[NH3+])CC(C)C)n2)cccc1[N+](=O)[O-] ZINC000854160120 620776553 /nfs/dbraw/zinc/77/65/53/620776553.db2.gz KUXXIXFGWHCGMC-LBPRGKRZSA-N 1 0 318.377 3.117 20 5 DGBDRO C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840892484 618149425 /nfs/dbraw/zinc/14/94/25/618149425.db2.gz UIBBUYDCNTZDDG-LBPRGKRZSA-N 1 0 314.389 3.200 20 5 DGBDRO CC(C)c1c[nH]c(CN(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000894678975 618420790 /nfs/dbraw/zinc/42/07/90/618420790.db2.gz ILPDPKHAQFBGCT-UHFFFAOYSA-N 1 0 302.378 3.116 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCO[C@H]1CCCCO1 ZINC000894796905 618459506 /nfs/dbraw/zinc/45/95/06/618459506.db2.gz MTHZILOADHICPW-IFCKCIONSA-N 1 0 320.389 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3C[C@@H]4CCC[C@H]4C3)nc2c1 ZINC000894057006 618701730 /nfs/dbraw/zinc/70/17/30/618701730.db2.gz UENMFVZUVAUPGU-QWRGUYRKSA-N 1 0 300.362 3.139 20 5 DGBDRO Cc1noc2ncc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cc12 ZINC000894192886 618726498 /nfs/dbraw/zinc/72/64/98/618726498.db2.gz JDANWEVLQNZLTD-SNVBAGLBSA-N 1 0 312.329 3.290 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC[C@@H]2CCCO)cc1 ZINC000924956383 618748993 /nfs/dbraw/zinc/74/89/93/618748993.db2.gz WAOPZYRAQPPFMP-WBVHZDCISA-N 1 0 306.406 3.058 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(Br)CC1 ZINC000924955840 618749048 /nfs/dbraw/zinc/74/90/48/618749048.db2.gz RISKRPSGQYICIK-SNVBAGLBSA-N 1 0 313.195 3.043 20 5 DGBDRO Cc1noc2ncc(C[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)cc12 ZINC000895458574 618787034 /nfs/dbraw/zinc/78/70/34/618787034.db2.gz QNLFOPHHVKMAAY-UHFFFAOYSA-N 1 0 312.329 3.038 20 5 DGBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCOC1 ZINC000895664209 618814189 /nfs/dbraw/zinc/81/41/89/618814189.db2.gz RATFQQJBPMIUGL-AAEUAGOBSA-N 1 0 319.361 3.031 20 5 DGBDRO Cc1cc(N[C@@H](CC[NH+](C)C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000895892754 618846854 /nfs/dbraw/zinc/84/68/54/618846854.db2.gz QXXBXGDPWOPNFF-INIZCTEOSA-N 1 0 314.389 3.403 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@]34C[C@@H]3CCCC4)nc2c1 ZINC000896266896 618894933 /nfs/dbraw/zinc/89/49/33/618894933.db2.gz DVVZZQJPTXUMJI-MEDUHNTESA-N 1 0 301.346 3.406 20 5 DGBDRO C[C@@H]1[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1C ZINC000896555889 618928150 /nfs/dbraw/zinc/92/81/50/618928150.db2.gz RQECZMDLDGZNQW-PELKAZGASA-N 1 0 318.204 3.084 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000897459903 619130168 /nfs/dbraw/zinc/13/01/68/619130168.db2.gz PIMBHLSEWSHJOD-LVQVYYBASA-N 1 0 318.417 3.493 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000897461269 619130180 /nfs/dbraw/zinc/13/01/80/619130180.db2.gz ZAVHNDOEZSHDFB-FXDLJFJQSA-N 1 0 316.401 3.101 20 5 DGBDRO C[C@H](C[NH2+]Cc1ccnn1CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000897461591 619130266 /nfs/dbraw/zinc/13/02/66/619130266.db2.gz SJMJXUKAFRHZCQ-CYBMUJFWSA-N 1 0 314.389 3.095 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1C(F)F)c1ccccc1[N+](=O)[O-] ZINC000897465481 619130549 /nfs/dbraw/zinc/13/05/49/619130549.db2.gz WWRHVXYCMRKNDZ-JTQLQIEISA-N 1 0 324.331 3.159 20 5 DGBDRO C[C@@H](C[NH2+]Cc1c(C2CC2)cnn1C)c1ccccc1[N+](=O)[O-] ZINC000897461865 619130626 /nfs/dbraw/zinc/13/06/26/619130626.db2.gz ZJNNXGMZFQTXAM-LBPRGKRZSA-N 1 0 314.389 3.099 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)CC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000897466670 619130988 /nfs/dbraw/zinc/13/09/88/619130988.db2.gz ZCUJNOUSCHCUAO-KBPBESRZSA-N 1 0 306.406 3.493 20 5 DGBDRO Cc1cccc2ncc(C[NH2+]C[C@@H](C)c3ccccc3[N+](=O)[O-])n21 ZINC000897468937 619131170 /nfs/dbraw/zinc/13/11/70/619131170.db2.gz CEMHGWNWZMHZTG-CYBMUJFWSA-N 1 0 324.384 3.444 20 5 DGBDRO CC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC2(CC1)OCCO2 ZINC000897720107 619175101 /nfs/dbraw/zinc/17/51/01/619175101.db2.gz JQIXRXHSNNZOMH-UHFFFAOYSA-N 1 0 320.389 3.008 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(CCO)cc2)cc1Cl ZINC000898170445 619220192 /nfs/dbraw/zinc/22/01/92/619220192.db2.gz GUIKUCVIVTYJQE-UHFFFAOYSA-N 1 0 320.776 3.073 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H](O)C3CC3)o2)cc1 ZINC000898205745 619221384 /nfs/dbraw/zinc/22/13/84/619221384.db2.gz HAFXBTLTKRUNLQ-INIZCTEOSA-N 1 0 316.357 3.105 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000898386365 619270135 /nfs/dbraw/zinc/27/01/35/619270135.db2.gz KAHIWFZWRZNAGG-HZPDHXFCSA-N 1 0 304.390 3.233 20 5 DGBDRO COC(=O)C1(CCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000898413163 619271963 /nfs/dbraw/zinc/27/19/63/619271963.db2.gz NXGROGRSPRRCHD-UHFFFAOYSA-N 1 0 320.389 3.198 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOC1CCSCC1 ZINC000898441316 619276142 /nfs/dbraw/zinc/27/61/42/619276142.db2.gz SHRFWQKWIAEJBS-HNNXBMFYSA-N 1 0 322.430 3.084 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927159692 619303932 /nfs/dbraw/zinc/30/39/32/619303932.db2.gz QDHTXYYDISJGTG-GDBMZVCRSA-N 1 0 302.374 3.273 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899936964 619384445 /nfs/dbraw/zinc/38/44/45/619384445.db2.gz KOCVAOHHQIZNDM-HIFRSBDPSA-N 1 0 317.389 3.167 20 5 DGBDRO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903081625 619712598 /nfs/dbraw/zinc/71/25/98/619712598.db2.gz WAPLRXXOBDBDTO-JATKITJMSA-N 1 0 315.417 3.403 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccsc2)cc([N+](=O)[O-])c1 ZINC000903100428 619716282 /nfs/dbraw/zinc/71/62/82/619716282.db2.gz RTNOKPBGYZHVSY-BONVTDFDSA-N 1 0 322.386 3.049 20 5 DGBDRO COCCC1(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CCC1 ZINC000903110486 619718195 /nfs/dbraw/zinc/71/81/95/619718195.db2.gz CUDUUPULZUINKT-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903094548 619719179 /nfs/dbraw/zinc/71/91/79/619719179.db2.gz ZZMKMAHCXUFAED-BZNIZROVSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903113963 619719865 /nfs/dbraw/zinc/71/98/65/619719865.db2.gz ZIXXTZSAOBFXKE-VXGBXAGGSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+]Cc2cnccc2C)cc([N+](=O)[O-])c1 ZINC000903179049 619731034 /nfs/dbraw/zinc/73/10/34/619731034.db2.gz LRXDHMQTNCBZSN-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2cnccc2C)cc([N+](=O)[O-])c1 ZINC000903200381 619735319 /nfs/dbraw/zinc/73/53/19/619735319.db2.gz RMUWRTIPUDTONR-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903205846 619738614 /nfs/dbraw/zinc/73/86/14/619738614.db2.gz GGTQWIGOPALXEY-RPHNGCRZSA-N 1 0 308.378 3.066 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CC3(CCC3)CO2)cc([N+](=O)[O-])c1 ZINC000903218903 619740991 /nfs/dbraw/zinc/74/09/91/619740991.db2.gz DXZUXUYCRYQNKI-WBMJQRKESA-N 1 0 320.389 3.213 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000903244855 619743304 /nfs/dbraw/zinc/74/33/04/619743304.db2.gz FNNARUDRWUWSHE-CZUORRHYSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000903244864 619743312 /nfs/dbraw/zinc/74/33/12/619743312.db2.gz FSIVODWTOHHAPN-UGSOOPFHSA-N 1 0 318.417 3.493 20 5 DGBDRO C[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000903245895 619743866 /nfs/dbraw/zinc/74/38/66/619743866.db2.gz QGHJZXWCPVTSIG-QIIPPGSGSA-N 1 0 318.417 3.493 20 5 DGBDRO CCCn1cc([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000903245870 619744021 /nfs/dbraw/zinc/74/40/21/619744021.db2.gz PLQOCPWCLAMMKJ-STQMWFEESA-N 1 0 317.393 3.051 20 5 DGBDRO C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1c(F)cccc1[N+](=O)[O-] ZINC000903280562 619751620 /nfs/dbraw/zinc/75/16/20/619751620.db2.gz VKZDGDMTLNVRNX-GUVYTERUSA-N 1 0 308.353 3.342 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000903287767 619754432 /nfs/dbraw/zinc/75/44/32/619754432.db2.gz GGIKBRKJNYVVTA-GGUVTUNTSA-N 1 0 302.374 3.201 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CO)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000903290241 619755025 /nfs/dbraw/zinc/75/50/25/619755025.db2.gz UIFMGZBMBMEDAQ-RHSMWYFYSA-N 1 0 314.385 3.239 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc3nonc3c1)CCC2 ZINC000903324626 619756148 /nfs/dbraw/zinc/75/61/48/619756148.db2.gz IHQYZPPMHYSIPX-OAHLLOKOSA-N 1 0 324.340 3.298 20 5 DGBDRO CO[C@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCSC1 ZINC000903309169 619757157 /nfs/dbraw/zinc/75/71/57/619757157.db2.gz CCNAYUDNGDBMNW-DOMZBBRYSA-N 1 0 310.419 3.076 20 5 DGBDRO Cc1ncccc1CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000903419347 619773337 /nfs/dbraw/zinc/77/33/37/619773337.db2.gz VRCPYGBTNVJOGT-GFCCVEGCSA-N 1 0 317.364 3.201 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000903451722 619779025 /nfs/dbraw/zinc/77/90/25/619779025.db2.gz XECFVNNSACWJBC-TUAOUCFPSA-N 1 0 324.352 3.116 20 5 DGBDRO [NH3+]CC1([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000903815642 619814416 /nfs/dbraw/zinc/81/44/16/619814416.db2.gz SKQGDZLDXCMPSY-INIZCTEOSA-N 1 0 321.396 3.217 20 5 DGBDRO CCCN(C(=O)CC[NH2+]C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000905136653 619974888 /nfs/dbraw/zinc/97/48/88/619974888.db2.gz RDSZZRAFLVVDPC-UHFFFAOYSA-N 1 0 307.394 3.116 20 5 DGBDRO CCCN(CCC[NH+](C)C)C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000907657294 620165919 /nfs/dbraw/zinc/16/59/19/620165919.db2.gz IRZYZRDJQJYRLH-UHFFFAOYSA-N 1 0 321.421 3.016 20 5 DGBDRO CCC[N@@H+]1CCC[C@H](C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000908269809 620197200 /nfs/dbraw/zinc/19/72/00/620197200.db2.gz WCZFRCYOOWSYKA-AWEZNQCLSA-N 1 0 319.405 3.272 20 5 DGBDRO CC(C)N1CCC[C@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000923761927 620834230 /nfs/dbraw/zinc/83/42/30/620834230.db2.gz WXQJKRSRZVFZQP-AWEZNQCLSA-N 1 0 316.361 3.114 20 5 DGBDRO COc1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000856806845 621023921 /nfs/dbraw/zinc/02/39/21/621023921.db2.gz JQIZVEZEFMWXLB-JTQLQIEISA-N 1 0 319.188 3.277 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922455838 621039862 /nfs/dbraw/zinc/03/98/62/621039862.db2.gz QAMQYSVPHRKYBH-DGCLKSJQSA-N 1 0 318.295 3.103 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000922517073 621048578 /nfs/dbraw/zinc/04/85/78/621048578.db2.gz DOJQJUYBYGDVRK-FPRCLYBRSA-N 1 0 302.374 3.155 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccnn1CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000922541189 621053433 /nfs/dbraw/zinc/05/34/33/621053433.db2.gz OCRAHWFEFMWIFO-GFCCVEGCSA-N 1 0 300.362 3.052 20 5 DGBDRO Cc1cc(CO)cc(C)c1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922562371 621056545 /nfs/dbraw/zinc/05/65/45/621056545.db2.gz YUCQMCUTFCCRLY-UHFFFAOYSA-N 1 0 306.387 3.055 20 5 DGBDRO CO[C@@]1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCSC1 ZINC000922572120 621058501 /nfs/dbraw/zinc/05/85/01/621058501.db2.gz ALMZLIAWHWRAJY-MRXNPFEDSA-N 1 0 324.446 3.330 20 5 DGBDRO CN1CC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000922573506 621059221 /nfs/dbraw/zinc/05/92/21/621059221.db2.gz CWUAIOONMCFLBU-LBPRGKRZSA-N 1 0 317.414 3.117 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000922950688 621136459 /nfs/dbraw/zinc/13/64/59/621136459.db2.gz CDIXFHDPHNDWSU-CYBMUJFWSA-N 1 0 322.405 3.287 20 5 DGBDRO Cc1ccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000922967313 621139074 /nfs/dbraw/zinc/13/90/74/621139074.db2.gz GKUOSKFAZUFJLZ-HNNXBMFYSA-N 1 0 304.390 3.485 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000922988942 621144528 /nfs/dbraw/zinc/14/45/28/621144528.db2.gz ZMAPSTDBYGRUEU-UZCSHQTLSA-N 1 0 324.380 3.246 20 5 DGBDRO CCC[C@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000858477733 621196333 /nfs/dbraw/zinc/19/63/33/621196333.db2.gz XQZOFWSQIFGTSI-HOCLYGCPSA-N 1 0 318.373 3.287 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000858683656 621214284 /nfs/dbraw/zinc/21/42/84/621214284.db2.gz VUXFULCSVAOHMU-AWEZNQCLSA-N 1 0 304.394 3.117 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000839071973 621322616 /nfs/dbraw/zinc/32/26/16/621322616.db2.gz ANAZBOLEVANRFB-INIZCTEOSA-N 1 0 324.396 3.401 20 5 DGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000839181178 621343883 /nfs/dbraw/zinc/34/38/83/621343883.db2.gz HCYBBCGPWZURFV-KGLIPLIRSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1F ZINC000839201210 621351253 /nfs/dbraw/zinc/35/12/53/621351253.db2.gz GKTCYYJHEAERCI-WMLDXEAASA-N 1 0 322.380 3.107 20 5 DGBDRO Cc1cc(F)ccc1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000753787540 621465103 /nfs/dbraw/zinc/46/51/03/621465103.db2.gz YCDXZBULAZLGKS-KRWDZBQOSA-N 1 0 318.348 3.208 20 5 DGBDRO Cc1cc(F)ccc1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000753787541 621465207 /nfs/dbraw/zinc/46/52/07/621465207.db2.gz YCDXZBULAZLGKS-QGZVFWFLSA-N 1 0 318.348 3.208 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[NH2+]C(C2CCCC2)C2CCCC2)n1 ZINC000754141420 621490637 /nfs/dbraw/zinc/49/06/37/621490637.db2.gz CPUGFWMGMMMXGE-UHFFFAOYSA-N 1 0 306.410 3.130 20 5 DGBDRO C[C@@H]1CSCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000754156727 621492450 /nfs/dbraw/zinc/49/24/50/621492450.db2.gz UBNFDESIUYDYFL-JTQLQIEISA-N 1 0 300.811 3.433 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000754250547 621499320 /nfs/dbraw/zinc/49/93/20/621499320.db2.gz JHRFKWFECVMIEH-OAHLLOKOSA-N 1 0 324.739 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000754250545 621499371 /nfs/dbraw/zinc/49/93/71/621499371.db2.gz JHRFKWFECVMIEH-HNNXBMFYSA-N 1 0 324.739 3.211 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000754678411 621523897 /nfs/dbraw/zinc/52/38/97/621523897.db2.gz DIOIAKPPVHKCBO-BXUZGUMPSA-N 1 0 306.387 3.349 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCS3)CC2)cc1 ZINC000118950031 621591538 /nfs/dbraw/zinc/59/15/38/621591538.db2.gz ZGERCYDKOSJIQL-MRXNPFEDSA-N 1 0 321.446 3.049 20 5 DGBDRO CC1(C)CCC[C@@H]1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863560389 621683488 /nfs/dbraw/zinc/68/34/88/621683488.db2.gz HGOMXCRDNRASDV-GDBMZVCRSA-N 1 0 306.406 3.434 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]C[C@@H]1COCCN1 ZINC000863650462 621693955 /nfs/dbraw/zinc/69/39/55/621693955.db2.gz SNVSOYNTTAHDBT-QGZVFWFLSA-N 1 0 306.409 3.071 20 5 DGBDRO C[C@@H]([NH3+])CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000863652849 621694238 /nfs/dbraw/zinc/69/42/38/621694238.db2.gz XSBVYOJZXQHBKM-LLVKDONJSA-N 1 0 305.403 3.102 20 5 DGBDRO CCC[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000757615487 621728480 /nfs/dbraw/zinc/72/84/80/621728480.db2.gz RXSNIKNEOHPNFU-CYBMUJFWSA-N 1 0 302.378 3.414 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865778399 621993703 /nfs/dbraw/zinc/99/37/03/621993703.db2.gz JFZJZKWCIYFLGU-OICCZTGUSA-N 1 0 316.401 3.404 20 5 DGBDRO COc1cc(C)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000865787147 621995532 /nfs/dbraw/zinc/99/55/32/621995532.db2.gz JGMYENXXEMKPKG-UHFFFAOYSA-N 1 0 315.373 3.213 20 5 DGBDRO CN1Cc2ccccc2[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000865807687 621999105 /nfs/dbraw/zinc/99/91/05/621999105.db2.gz WIQKPEVWSCLYMR-MBNRZODZSA-N 1 0 323.396 3.384 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c(F)c1 ZINC000865857607 622009383 /nfs/dbraw/zinc/00/93/83/622009383.db2.gz UIHHZWHHXATYSH-HNNXBMFYSA-N 1 0 308.353 3.315 20 5 DGBDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000865872556 622012781 /nfs/dbraw/zinc/01/27/81/622012781.db2.gz MGSMCGKJQLJSRB-CHWSQXEVSA-N 1 0 318.373 3.494 20 5 DGBDRO CCCC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761512780 622013720 /nfs/dbraw/zinc/01/37/20/622013720.db2.gz WWCKNHKOZAQZIO-UHFFFAOYSA-N 1 0 300.786 3.497 20 5 DGBDRO C[C@H]1CCCCN1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761522376 622014098 /nfs/dbraw/zinc/01/40/98/622014098.db2.gz OSQIKVLLTUGBHE-LBPRGKRZSA-N 1 0 311.813 3.212 20 5 DGBDRO CCC(=O)c1ccc(N2CCC[N@@H+](C)C[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000865926130 622021765 /nfs/dbraw/zinc/02/17/65/622021765.db2.gz RFCIYAWRTQHHAA-AWEZNQCLSA-N 1 0 319.405 3.108 20 5 DGBDRO CCC(=O)c1ccc(N2CCC[N@@H+](C)C[C@H]2CC)c([N+](=O)[O-])c1 ZINC000865926131 622021847 /nfs/dbraw/zinc/02/18/47/622021847.db2.gz RFCIYAWRTQHHAA-CQSZACIVSA-N 1 0 319.405 3.108 20 5 DGBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866206242 622066233 /nfs/dbraw/zinc/06/62/33/622066233.db2.gz CSQIRPRLJAKIEP-VXGBXAGGSA-N 1 0 311.332 3.063 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccn1 ZINC000866214375 622067329 /nfs/dbraw/zinc/06/73/29/622067329.db2.gz NXBTVBZCKMVZFG-NEPJUHHUSA-N 1 0 303.337 3.411 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866260742 622078712 /nfs/dbraw/zinc/07/87/12/622078712.db2.gz WQKYRLYBMJSZSC-IRXDYDNUSA-N 1 0 320.389 3.041 20 5 DGBDRO CCc1nc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000866262983 622079266 /nfs/dbraw/zinc/07/92/66/622079266.db2.gz KENBVTBEBWHQON-SNVBAGLBSA-N 1 0 323.393 3.474 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccncc1 ZINC000866281315 622084435 /nfs/dbraw/zinc/08/44/35/622084435.db2.gz GVCAJINZCDZELL-QWHCGFSZSA-N 1 0 317.364 3.281 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)CC(C)(C)C ZINC000866308126 622090143 /nfs/dbraw/zinc/09/01/43/622090143.db2.gz QNEAAZOHQOWABC-BXUZGUMPSA-N 1 0 312.385 3.052 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCc3cccc4cccc2c43)c1 ZINC000866307704 622090150 /nfs/dbraw/zinc/09/01/50/622090150.db2.gz HLPPHNYYGQQHBQ-KRWDZBQOSA-N 1 0 322.368 3.222 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC(F)(F)C1 ZINC000866323489 622093634 /nfs/dbraw/zinc/09/36/34/622093634.db2.gz IXKAVYFAPQJWKK-SKDRFNHKSA-N 1 0 302.296 3.442 20 5 DGBDRO COCCC(C)(C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866339921 622097403 /nfs/dbraw/zinc/09/74/03/622097403.db2.gz OQPOWEPQAWLRHV-GFCCVEGCSA-N 1 0 312.385 3.317 20 5 DGBDRO COC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000866362209 622103123 /nfs/dbraw/zinc/10/31/23/622103123.db2.gz BYBCLNBRLZXBDN-LBPRGKRZSA-N 1 0 310.369 3.214 20 5 DGBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866369185 622105074 /nfs/dbraw/zinc/10/50/74/622105074.db2.gz BIZQCANJCHIISN-UVWXRNBGSA-N 1 0 310.369 3.068 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000866370293 622105238 /nfs/dbraw/zinc/10/52/38/622105238.db2.gz UNHAAQVTLDNLHQ-CHWSQXEVSA-N 1 0 324.396 3.460 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)c1cscn1 ZINC000866388904 622108828 /nfs/dbraw/zinc/10/88/28/622108828.db2.gz NYFRTLRKGAPWBF-NXEZZACHSA-N 1 0 309.366 3.472 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H]1CCSC1 ZINC000866402580 622112151 /nfs/dbraw/zinc/11/21/51/622112151.db2.gz KTRVZPOGJIEXMN-VXGBXAGGSA-N 1 0 310.419 3.397 20 5 DGBDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000866456457 622121395 /nfs/dbraw/zinc/12/13/95/622121395.db2.gz ZCAHJHKOOWVCPX-RKDXNWHRSA-N 1 0 306.391 3.354 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866491352 622126705 /nfs/dbraw/zinc/12/67/05/622126705.db2.gz RIDMUHBNZIODKY-MZPVMMEZSA-N 1 0 319.405 3.175 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866491350 622126770 /nfs/dbraw/zinc/12/67/70/622126770.db2.gz RIDMUHBNZIODKY-GOPGUHFVSA-N 1 0 319.405 3.175 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1cccc([N+](=O)[O-])c1C(C)=O ZINC000763204577 622129776 /nfs/dbraw/zinc/12/97/76/622129776.db2.gz UUNUIWLMZMXYPS-ZDUSSCGKSA-N 1 0 305.378 3.084 20 5 DGBDRO CC(=O)c1c(NCC[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000763205139 622130005 /nfs/dbraw/zinc/13/00/05/622130005.db2.gz YIKQAQMXONLLPT-UHFFFAOYSA-N 1 0 305.378 3.085 20 5 DGBDRO C[C@@H](C(=O)OCC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000763401834 622143277 /nfs/dbraw/zinc/14/32/77/622143277.db2.gz HPFKTFYTRMCFRI-UKRRQHHQSA-N 1 0 320.389 3.116 20 5 DGBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000763525422 622149775 /nfs/dbraw/zinc/14/97/75/622149775.db2.gz PIOBLWIVAMVUDJ-WGXYTZMTSA-N 1 0 316.357 3.303 20 5 DGBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000866635638 622151303 /nfs/dbraw/zinc/15/13/03/622151303.db2.gz RUWCZQFNSOMZRB-WQVCFCJDSA-N 1 0 306.406 3.055 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC4(CCC4)C3)c2)cc1 ZINC000121890276 622189464 /nfs/dbraw/zinc/18/94/64/622189464.db2.gz VZEMUISUWRDGGF-UHFFFAOYSA-N 1 0 312.373 3.292 20 5 DGBDRO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000867992138 622202479 /nfs/dbraw/zinc/20/24/79/622202479.db2.gz XEWOZLIRUMJYJA-CYBMUJFWSA-N 1 0 317.370 3.095 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccsc3)CC2)cc1 ZINC000764929825 622233427 /nfs/dbraw/zinc/23/34/27/622233427.db2.gz LZNPELBBWBOCBI-UHFFFAOYSA-N 1 0 317.414 3.415 20 5 DGBDRO Cc1nn(C[NH+](CC2CC2)CC2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764990934 622238236 /nfs/dbraw/zinc/23/82/36/622238236.db2.gz VOJWUOHKOOLCIU-UHFFFAOYSA-N 1 0 314.389 3.332 20 5 DGBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765850282 622291473 /nfs/dbraw/zinc/29/14/73/622291473.db2.gz WTAXPVYBMRTUEG-MSOLQXFVSA-N 1 0 312.369 3.214 20 5 DGBDRO C[C@@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000870789914 622511322 /nfs/dbraw/zinc/51/13/22/622511322.db2.gz ZMTBAPHTNPBSBS-STQMWFEESA-N 1 0 306.362 3.015 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)[NH+](C)C ZINC000872016345 622752649 /nfs/dbraw/zinc/75/26/49/622752649.db2.gz IVQSWRBTXCBCAH-NSHDSACASA-N 1 0 311.451 3.308 20 5 DGBDRO C[C@H](NCC1([NH+](C)C)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872018522 622754218 /nfs/dbraw/zinc/75/42/18/622754218.db2.gz NKKJCVXYMQATGF-LBPRGKRZSA-N 1 0 309.385 3.259 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)Cn1ccnc1 ZINC000872021158 622756329 /nfs/dbraw/zinc/75/63/29/622756329.db2.gz NQOUHHSPEGVRIR-NWDGAFQWSA-N 1 0 320.418 3.253 20 5 DGBDRO Cc1csc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872021822 622756433 /nfs/dbraw/zinc/75/64/33/622756433.db2.gz RKJCRYKMVLVUJF-SNVBAGLBSA-N 1 0 309.366 3.392 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000872024827 622758010 /nfs/dbraw/zinc/75/80/10/622758010.db2.gz WFQCGXIPVXXBSJ-NEPJUHHUSA-N 1 0 310.419 3.394 20 5 DGBDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872025635 622759147 /nfs/dbraw/zinc/75/91/47/622759147.db2.gz QLKCERMXQIBONR-LLVKDONJSA-N 1 0 324.352 3.070 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000872028730 622760648 /nfs/dbraw/zinc/76/06/48/622760648.db2.gz SNEVAKBSZZPWRK-AAEUAGOBSA-N 1 0 309.435 3.062 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872032663 622763572 /nfs/dbraw/zinc/76/35/72/622763572.db2.gz XONMARZHAWHQKJ-RYUDHWBXSA-N 1 0 320.368 3.226 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CCO)C(C)C ZINC000872037522 622766373 /nfs/dbraw/zinc/76/63/73/622766373.db2.gz CVBJIOQNSPZMLN-BXUZGUMPSA-N 1 0 312.435 3.374 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000872036666 622766466 /nfs/dbraw/zinc/76/64/66/622766466.db2.gz UTSJMGJMNWRAOP-STQMWFEESA-N 1 0 323.462 3.309 20 5 DGBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872042317 622770646 /nfs/dbraw/zinc/77/06/46/622770646.db2.gz BQYUOWYGZNEQBV-GYSYKLTISA-N 1 0 322.336 3.490 20 5 DGBDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042048 622770897 /nfs/dbraw/zinc/77/08/97/622770897.db2.gz YYBZWGIDDBBFLL-AVGNSLFASA-N 1 0 309.385 3.257 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1c(F)cccc1[N+](=O)[O-] ZINC000872045224 622772338 /nfs/dbraw/zinc/77/23/38/622772338.db2.gz YRFVHJCORYIEHU-HTTKSJEASA-N 1 0 308.353 3.342 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000872048372 622774242 /nfs/dbraw/zinc/77/42/42/622774242.db2.gz YSEKWLRQOBSAOQ-RYUDHWBXSA-N 1 0 320.418 3.253 20 5 DGBDRO Cc1cccc(NCC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872050143 622775811 /nfs/dbraw/zinc/77/58/11/622775811.db2.gz YTMBDIADKYOJRX-GFCCVEGCSA-N 1 0 318.352 3.200 20 5 DGBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051144 622776374 /nfs/dbraw/zinc/77/63/74/622776374.db2.gz HKWCJIVYUKHNJR-NHYWBVRUSA-N 1 0 312.385 3.428 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@@H](C)CO ZINC000872051851 622777008 /nfs/dbraw/zinc/77/70/08/622777008.db2.gz NWMWQJXEJUUCHI-NEPJUHHUSA-N 1 0 312.435 3.376 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cnccn1 ZINC000872053436 622778538 /nfs/dbraw/zinc/77/85/38/622778538.db2.gz KIYCBLOWUQBDKW-NSHDSACASA-N 1 0 318.402 3.000 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000872064888 622785565 /nfs/dbraw/zinc/78/55/65/622785565.db2.gz OQHDATPNFBJPHU-DMDPSCGWSA-N 1 0 310.419 3.128 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CCO)CC1 ZINC000872065225 622785962 /nfs/dbraw/zinc/78/59/62/622785962.db2.gz VZNAKEIEFNIKCX-NSHDSACASA-N 1 0 310.419 3.130 20 5 DGBDRO CO[C@@H](CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F ZINC000872064963 622786062 /nfs/dbraw/zinc/78/60/62/622786062.db2.gz PZMBXVLHXWOBDI-KCJUWKMLSA-N 1 0 324.274 3.352 20 5 DGBDRO Cc1cccc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872065974 622786914 /nfs/dbraw/zinc/78/69/14/622786914.db2.gz DGLAMGPNVWVMGB-LBPRGKRZSA-N 1 0 303.337 3.331 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H](C)CCO ZINC000872073980 622790509 /nfs/dbraw/zinc/79/05/09/622790509.db2.gz AFOYWQBTDBELOD-NWDGAFQWSA-N 1 0 312.435 3.376 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000872085692 622797132 /nfs/dbraw/zinc/79/71/32/622797132.db2.gz OSTFYMASSDYYSV-NZVBXONLSA-N 1 0 322.430 3.271 20 5 DGBDRO CCC1(O)CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000771874502 622807870 /nfs/dbraw/zinc/80/78/70/622807870.db2.gz KVMUSXMHCDFSSQ-UHFFFAOYSA-N 1 0 312.797 3.422 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872109084 622811867 /nfs/dbraw/zinc/81/18/67/622811867.db2.gz HDNUZGDLVCUWTD-NYCLONFESA-N 1 0 318.417 3.463 20 5 DGBDRO CC1([NH+]2CCCCC2)CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000872666119 622950188 /nfs/dbraw/zinc/95/01/88/622950188.db2.gz WSJWVHZBLOVZFA-UHFFFAOYSA-N 1 0 318.421 3.022 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCSCC3)CC2)cc1 ZINC000772961406 622957260 /nfs/dbraw/zinc/95/72/60/622957260.db2.gz QDOIPIHMDFGQOH-UHFFFAOYSA-N 1 0 321.446 3.049 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccc(F)n1)C1CC1 ZINC000773089585 622981788 /nfs/dbraw/zinc/98/17/88/622981788.db2.gz RXIVDLPMKUJDLO-OAHLLOKOSA-N 1 0 315.348 3.240 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000873008833 623016569 /nfs/dbraw/zinc/01/65/69/623016569.db2.gz QAPPFDHTWZIBBJ-KRWDZBQOSA-N 1 0 318.348 3.174 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)c1ccccc1F ZINC000873021840 623020019 /nfs/dbraw/zinc/02/00/19/623020019.db2.gz NQFZSQLNYYBNMA-KRWDZBQOSA-N 1 0 318.348 3.174 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000873049905 623025489 /nfs/dbraw/zinc/02/54/89/623025489.db2.gz IEHZKTUFFIOTKM-GOSISDBHSA-N 1 0 314.385 3.209 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000873100812 623036615 /nfs/dbraw/zinc/03/66/15/623036615.db2.gz FKMONNCNTZWGTM-INIZCTEOSA-N 1 0 306.406 3.098 20 5 DGBDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873129758 623042858 /nfs/dbraw/zinc/04/28/58/623042858.db2.gz SNVLAAKBMHHBAV-LBPRGKRZSA-N 1 0 320.311 3.350 20 5 DGBDRO CC(C)c1ccc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873229472 623082622 /nfs/dbraw/zinc/08/26/22/623082622.db2.gz ADGLZIQHDILHNX-DLBZAZTESA-N 1 0 303.406 3.092 20 5 DGBDRO CCc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000774188927 623118226 /nfs/dbraw/zinc/11/82/26/623118226.db2.gz KQTZSPQODIPCSE-MRXNPFEDSA-N 1 0 300.362 3.048 20 5 DGBDRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774213685 623120811 /nfs/dbraw/zinc/12/08/11/623120811.db2.gz QOKFYASEPDVCRR-CRWXNKLISA-N 1 0 324.450 3.149 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000775015314 623216922 /nfs/dbraw/zinc/21/69/22/623216922.db2.gz RFZMLZQXXFBXNB-WLPBJKJWSA-N 1 0 312.369 3.240 20 5 DGBDRO C[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000874625614 623308235 /nfs/dbraw/zinc/30/82/35/623308235.db2.gz XAZXTRYHMRZKBB-YIYPIFLZSA-N 1 0 319.405 3.033 20 5 DGBDRO CCCCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000776024458 623366578 /nfs/dbraw/zinc/36/65/78/623366578.db2.gz ZDAJSBOUSPDKAM-OAHLLOKOSA-N 1 0 323.437 3.341 20 5 DGBDRO C[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272429 623405368 /nfs/dbraw/zinc/40/53/68/623405368.db2.gz SUDQTNDFDDLZHB-INIZCTEOSA-N 1 0 320.776 3.414 20 5 DGBDRO CC(C)[NH+]1CCC(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000875161637 623423464 /nfs/dbraw/zinc/42/34/64/623423464.db2.gz JBJFLYFXVLWJIE-ZDUSSCGKSA-N 1 0 320.389 3.319 20 5 DGBDRO C[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000776578628 623442369 /nfs/dbraw/zinc/44/23/69/623442369.db2.gz HMNHXDWOFNGSAS-SCLBCKFNSA-N 1 0 312.369 3.248 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC3(C2)CCCCC3)cc1 ZINC000776588729 623444003 /nfs/dbraw/zinc/44/40/03/623444003.db2.gz OFJNCNRMJLPKLE-INIZCTEOSA-N 1 0 304.390 3.284 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000776584664 623444013 /nfs/dbraw/zinc/44/40/13/623444013.db2.gz OFGXZJWLHWEJBL-ROUUACIJSA-N 1 0 316.401 3.451 20 5 DGBDRO Cc1cc(COC(=O)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000875537844 623461602 /nfs/dbraw/zinc/46/16/02/623461602.db2.gz CBCUOPVFRKAXDB-UHFFFAOYSA-N 1 0 320.389 3.067 20 5 DGBDRO C[C@@H]1C[C@H](C)[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777956371 623589953 /nfs/dbraw/zinc/58/99/53/623589953.db2.gz GVTSPYLFLOPOFT-OLZOCXBDSA-N 1 0 300.362 3.146 20 5 DGBDRO CC1(C)[C@@H]2C[N@@H+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C[C@@H]21 ZINC000777956656 623590871 /nfs/dbraw/zinc/59/08/71/623590871.db2.gz KHNFBDFUTIGOGV-IYBDPMFKSA-N 1 0 312.373 3.004 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](O)c1cccc(F)c1 ZINC000778096057 623611254 /nfs/dbraw/zinc/61/12/54/623611254.db2.gz JAQKMZZLRCWOIS-HWPZZCPQSA-N 1 0 322.311 3.085 20 5 DGBDRO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778426784 623656034 /nfs/dbraw/zinc/65/60/34/623656034.db2.gz BQBLEDCVTXGQHF-NHYWBVRUSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC([NH2+]C(C)C)CC1 ZINC000876663194 623674151 /nfs/dbraw/zinc/67/41/51/623674151.db2.gz XOJQVVBXPMPBPB-UHFFFAOYSA-N 1 0 305.422 3.174 20 5 DGBDRO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(F)c1 ZINC000876988312 623760513 /nfs/dbraw/zinc/76/05/13/623760513.db2.gz YSWJKOROYIMUOF-QGLTVNCISA-N 1 0 318.352 3.027 20 5 DGBDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000876987567 623760721 /nfs/dbraw/zinc/76/07/21/623760721.db2.gz AZMSQVHPLKQEFJ-LBPRGKRZSA-N 1 0 320.311 3.110 20 5 DGBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCCC1 ZINC000876995659 623762527 /nfs/dbraw/zinc/76/25/27/623762527.db2.gz HIXVVHJUBWNRPP-XUJLQICISA-N 1 0 306.410 3.443 20 5 DGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000779429979 623769577 /nfs/dbraw/zinc/76/95/77/623769577.db2.gz ZFXNKSWFKOPHIT-JTQLQIEISA-N 1 0 313.348 3.040 20 5 DGBDRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877127641 623797641 /nfs/dbraw/zinc/79/76/41/623797641.db2.gz LXZHYACPLKAMRE-KSSFIOAISA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@@H]1CCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@@H]1C ZINC000877495450 623910889 /nfs/dbraw/zinc/91/08/89/623910889.db2.gz WZFVRVUIBLXEBK-DYALKNRASA-N 1 0 306.410 3.157 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3C[C@H](c4ccccc4)C3)C2)c1 ZINC000877496247 623911742 /nfs/dbraw/zinc/91/17/42/623911742.db2.gz OKKDIDAHROUVKL-MSBXVQKDSA-N 1 0 312.373 3.031 20 5 DGBDRO CC[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC(F)(F)F ZINC000877588974 623953915 /nfs/dbraw/zinc/95/39/15/623953915.db2.gz DJEGXODOGHGSAN-KPPDAEKUSA-N 1 0 320.315 3.063 20 5 DGBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CC2CCC1CC2 ZINC000877617445 623964050 /nfs/dbraw/zinc/96/40/50/623964050.db2.gz WKDZRMIOPQKFPP-CMPKPWDYSA-N 1 0 318.421 3.299 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1Cl ZINC000877730021 624006956 /nfs/dbraw/zinc/00/69/56/624006956.db2.gz JYXYXXJQNWVRJI-KBPBESRZSA-N 1 0 324.808 3.401 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000126713392 624029850 /nfs/dbraw/zinc/02/98/50/624029850.db2.gz LVGHETQNNXOWRR-SMDDNHRTSA-N 1 0 306.387 3.349 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)C2CCCC2)cc1Cl ZINC000877777661 624032538 /nfs/dbraw/zinc/03/25/38/624032538.db2.gz DJJHYMBFJHWWFO-HNNXBMFYSA-N 1 0 312.797 3.279 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)C2CCCC2)cc1Cl ZINC000877777662 624032687 /nfs/dbraw/zinc/03/26/87/624032687.db2.gz DJJHYMBFJHWWFO-OAHLLOKOSA-N 1 0 312.797 3.279 20 5 DGBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000877796540 624037765 /nfs/dbraw/zinc/03/77/65/624037765.db2.gz HRBISBPUGIWSLT-GFCCVEGCSA-N 1 0 312.797 3.231 20 5 DGBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000877797041 624038869 /nfs/dbraw/zinc/03/88/69/624038869.db2.gz OUVOLNZNAHETQG-LBPRGKRZSA-N 1 0 312.797 3.231 20 5 DGBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000877797204 624038884 /nfs/dbraw/zinc/03/88/84/624038884.db2.gz QLUNWTVRPRMYKN-GFCCVEGCSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCCCCCC2)o1 ZINC000877902083 624084085 /nfs/dbraw/zinc/08/40/85/624084085.db2.gz FTRNVEBMIQCHQA-UHFFFAOYSA-N 1 0 316.361 3.411 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877935804 624100352 /nfs/dbraw/zinc/10/03/52/624100352.db2.gz WIGXJSDCCDUXNY-GFCCVEGCSA-N 1 0 316.361 3.409 20 5 DGBDRO CC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)C ZINC000877957912 624110902 /nfs/dbraw/zinc/11/09/02/624110902.db2.gz GNYCXYFZWBVRAW-UHFFFAOYSA-N 1 0 304.350 3.123 20 5 DGBDRO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)CC1CC1 ZINC000877973039 624118023 /nfs/dbraw/zinc/11/80/23/624118023.db2.gz UBIKYJAIUGHSJO-UHFFFAOYSA-N 1 0 322.752 3.140 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878030998 624142278 /nfs/dbraw/zinc/14/22/78/624142278.db2.gz NIFIIJDQJOYJOS-SECBINFHSA-N 1 0 322.752 3.140 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]2C2CC2)o1 ZINC000878050574 624149857 /nfs/dbraw/zinc/14/98/57/624149857.db2.gz YALKQIWBBBXXKZ-CYBMUJFWSA-N 1 0 314.345 3.019 20 5 DGBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878154236 624191899 /nfs/dbraw/zinc/19/18/99/624191899.db2.gz WNIDEVNYBZDEGU-RYUDHWBXSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878154234 624192091 /nfs/dbraw/zinc/19/20/91/624192091.db2.gz WNIDEVNYBZDEGU-NEPJUHHUSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1cc(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000878339187 624248869 /nfs/dbraw/zinc/24/88/69/624248869.db2.gz IOZMTMLAMXEPCY-UHFFFAOYSA-N 1 0 314.389 3.314 20 5 DGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782502698 624257221 /nfs/dbraw/zinc/25/72/21/624257221.db2.gz FPCHKYIUKQOSDA-NWDGAFQWSA-N 1 0 323.368 3.183 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC000782636696 624269778 /nfs/dbraw/zinc/26/97/78/624269778.db2.gz HZBCIBDCFWYYLR-INIZCTEOSA-N 1 0 304.390 3.284 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878414238 624271935 /nfs/dbraw/zinc/27/19/35/624271935.db2.gz IBJWUSULEBWCNY-YPMHNXCESA-N 1 0 316.361 3.313 20 5 DGBDRO CCOCOc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000782953630 624293826 /nfs/dbraw/zinc/29/38/26/624293826.db2.gz VQBAKYQCVJDCJM-UHFFFAOYSA-N 1 0 316.357 3.257 20 5 DGBDRO CCOCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000782953656 624294155 /nfs/dbraw/zinc/29/41/55/624294155.db2.gz WTKBFYVKMKCRGK-UHFFFAOYSA-N 1 0 316.357 3.257 20 5 DGBDRO Cc1cc(NCc2cccc(F)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782963069 624296507 /nfs/dbraw/zinc/29/65/07/624296507.db2.gz WKFJOWMTDHHBHM-UHFFFAOYSA-N 1 0 312.304 3.020 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCCC23CCC3)o1 ZINC000878518820 624297070 /nfs/dbraw/zinc/29/70/70/624297070.db2.gz RTRULUVTABCAPB-UHFFFAOYSA-N 1 0 314.345 3.163 20 5 DGBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783639976 624378083 /nfs/dbraw/zinc/37/80/83/624378083.db2.gz XBLGEBTYVGPERL-ZYHUDNBSSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000805769034 624585836 /nfs/dbraw/zinc/58/58/36/624585836.db2.gz QYOWUGLRRGEHHV-WBMJQRKESA-N 1 0 323.824 3.307 20 5 DGBDRO C[C@@]1(C(F)(F)F)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879999581 624746744 /nfs/dbraw/zinc/74/67/44/624746744.db2.gz FOMCIWULGQOLTJ-CYBMUJFWSA-N 1 0 318.295 3.248 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000786831355 624957414 /nfs/dbraw/zinc/95/74/14/624957414.db2.gz HZRYZBNCTNZDNZ-INIZCTEOSA-N 1 0 312.369 3.121 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC3(CCCCO3)CC2)c1 ZINC000880455270 624959634 /nfs/dbraw/zinc/95/96/34/624959634.db2.gz WSDKNXIMJBTLLO-UHFFFAOYSA-N 1 0 320.389 3.009 20 5 DGBDRO CCOc1cc(C[NH2+][C@H](CC)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000880471767 624963880 /nfs/dbraw/zinc/96/38/80/624963880.db2.gz VIISEBDOXYKFEP-LSDHHAIUSA-N 1 0 322.405 3.288 20 5 DGBDRO CC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000880472049 624964014 /nfs/dbraw/zinc/96/40/14/624964014.db2.gz XWIDZHDJLQFCSJ-ZUZCIYMTSA-N 1 0 314.332 3.168 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCC[C@]23CCCO3)c(F)c1 ZINC000880501695 624967605 /nfs/dbraw/zinc/96/76/05/624967605.db2.gz HCJQOFLMYNAUIB-CABCVRRESA-N 1 0 312.316 3.064 20 5 DGBDRO CCOC(CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)OCC ZINC000786970223 624968825 /nfs/dbraw/zinc/96/88/25/624968825.db2.gz PQPBDOSTVNXVQD-ZDUSSCGKSA-N 1 0 310.394 3.343 20 5 DGBDRO C[N@H+](CCOc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788472145 625191137 /nfs/dbraw/zinc/19/11/37/625191137.db2.gz ZOJJOMJAGHNIHV-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000788535149 625208286 /nfs/dbraw/zinc/20/82/86/625208286.db2.gz CJAIKDXCLREORG-ZWKOTPCHSA-N 1 0 314.385 3.443 20 5 DGBDRO CC(C)C[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788578338 625219598 /nfs/dbraw/zinc/21/95/98/625219598.db2.gz SANTUUFDCNKMJN-XJKSGUPXSA-N 1 0 306.406 3.314 20 5 DGBDRO C[C@@H]1CCCN1CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788584243 625220533 /nfs/dbraw/zinc/22/05/33/625220533.db2.gz IGFKWCBHFVYCMG-CXAGYDPISA-N 1 0 317.433 3.391 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1 ZINC000788614555 625229404 /nfs/dbraw/zinc/22/94/04/625229404.db2.gz SGQDBOGZUSVTAW-NHYWBVRUSA-N 1 0 300.362 3.374 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1 ZINC000788614554 625229661 /nfs/dbraw/zinc/22/96/61/625229661.db2.gz SGQDBOGZUSVTAW-IAQYHMDHSA-N 1 0 300.362 3.374 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1 ZINC000788614553 625229771 /nfs/dbraw/zinc/22/97/71/625229771.db2.gz SGQDBOGZUSVTAW-ABAIWWIYSA-N 1 0 300.362 3.374 20 5 DGBDRO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788629977 625232165 /nfs/dbraw/zinc/23/21/65/625232165.db2.gz YJNZMALUVRAYPC-JTQLQIEISA-N 1 0 318.377 3.065 20 5 DGBDRO C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788670911 625238622 /nfs/dbraw/zinc/23/86/22/625238622.db2.gz LERHGDCGKQTZIM-OGHNNQOOSA-N 1 0 321.421 3.159 20 5 DGBDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788666192 625239033 /nfs/dbraw/zinc/23/90/33/625239033.db2.gz QPMJSWBIIPVNIF-RVSPLBMKSA-N 1 0 321.421 3.279 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788756423 625259728 /nfs/dbraw/zinc/25/97/28/625259728.db2.gz WKXISWKKFZPTJU-VMGRFDJRSA-N 1 0 321.421 3.421 20 5 DGBDRO CC(=O)c1c(NC2CCC(C)([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000882693472 625787246 /nfs/dbraw/zinc/78/72/46/625787246.db2.gz SPHIHZNPTZQUOY-UHFFFAOYSA-N 1 0 319.405 3.472 20 5 DGBDRO CCC1([NH+]2CCCCC2)CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000882816202 625825418 /nfs/dbraw/zinc/82/54/18/625825418.db2.gz CDVKXOLRWDEPST-UHFFFAOYSA-N 1 0 318.421 3.225 20 5 DGBDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000796486771 626055787 /nfs/dbraw/zinc/05/57/87/626055787.db2.gz QBPRKVCOVDFAKZ-KBXCAEBGSA-N 1 0 314.385 3.423 20 5 DGBDRO Cn1cc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C(C)(C)C)cn1 ZINC000801532573 626408052 /nfs/dbraw/zinc/40/80/52/626408052.db2.gz BGQGAQUWNYNUHH-OAHLLOKOSA-N 1 0 320.368 3.344 20 5 DGBDRO CCC1CCC([N@H+](CCO)Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801550362 626409590 /nfs/dbraw/zinc/40/95/90/626409590.db2.gz XJMBYVORVLGCIV-UHFFFAOYSA-N 1 0 324.396 3.497 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000801574158 626410263 /nfs/dbraw/zinc/41/02/63/626410263.db2.gz QPERMYBSIFBAEJ-CYBMUJFWSA-N 1 0 316.332 3.217 20 5 DGBDRO C[C@H](OC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000801871491 626423468 /nfs/dbraw/zinc/42/34/68/626423468.db2.gz CJBHFKAJJFSTQU-LBPRGKRZSA-N 1 0 318.373 3.073 20 5 DGBDRO CC1(C)SC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000802318902 626558791 /nfs/dbraw/zinc/55/87/91/626558791.db2.gz VWAHTCBJRMPWNL-OAHLLOKOSA-N 1 0 321.446 3.047 20 5 DGBDRO Cc1nc(F)ccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000802658123 626565874 /nfs/dbraw/zinc/56/58/74/626565874.db2.gz KRQLDTHHLAVWMJ-UHFFFAOYSA-N 1 0 303.337 3.112 20 5 DGBDRO CC(C)[C@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000803616280 626625417 /nfs/dbraw/zinc/62/54/17/626625417.db2.gz MGZHPGKSAWOOSA-OAHLLOKOSA-N 1 0 321.421 3.417 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](COC)C1 ZINC000883320230 626646718 /nfs/dbraw/zinc/64/67/18/626646718.db2.gz FQSYTRYBLAQBAA-MCIONIFRSA-N 1 0 324.446 3.480 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])OCCc2ccccc21 ZINC000883340500 626653410 /nfs/dbraw/zinc/65/34/10/626653410.db2.gz SJXPJTRQVZUWIL-SFHVURJKSA-N 1 0 312.369 3.173 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883358940 626660218 /nfs/dbraw/zinc/66/02/18/626660218.db2.gz UNCHEXVGSBBTTP-DOMZBBRYSA-N 1 0 322.380 3.356 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](CC(C)C)[NH+](C)C ZINC000804340320 626671299 /nfs/dbraw/zinc/67/12/99/626671299.db2.gz BAJMCISVKALUIH-CQSZACIVSA-N 1 0 307.394 3.186 20 5 DGBDRO CCC(CC)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000804340716 626671337 /nfs/dbraw/zinc/67/13/37/626671337.db2.gz ILLFNNBSFFOIJF-KRWDZBQOSA-N 1 0 320.437 3.490 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804392333 626676092 /nfs/dbraw/zinc/67/60/92/626676092.db2.gz XTAKFYWFTTVWIK-LBPRGKRZSA-N 1 0 322.365 3.035 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804442794 626680261 /nfs/dbraw/zinc/68/02/61/626680261.db2.gz NUKHTPKIOCBTKR-VXGBXAGGSA-N 1 0 322.365 3.178 20 5 DGBDRO Cc1nn(CCC[NH+]2CCCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000808259907 626810470 /nfs/dbraw/zinc/81/04/70/626810470.db2.gz GLGUZKUKYIPZEU-UHFFFAOYSA-N 1 0 302.378 3.129 20 5 DGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1ccccc1 ZINC000808447144 626825642 /nfs/dbraw/zinc/82/56/42/626825642.db2.gz XTPMXEBNLSRCGG-MEDUHNTESA-N 1 0 320.776 3.460 20 5 DGBDRO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000840181958 626922316 /nfs/dbraw/zinc/92/23/16/626922316.db2.gz MUYFTWWODQDDMO-DLBZAZTESA-N 1 0 314.389 3.407 20 5 DGBDRO Cc1[nH]c(C2CCN(c3ccc([N+](=O)[O-])s3)CC2)[nH+]c1C ZINC000884708034 626932424 /nfs/dbraw/zinc/93/24/24/626932424.db2.gz JXKWYWLXBLWFPU-UHFFFAOYSA-N 1 0 306.391 3.380 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000884716742 626934660 /nfs/dbraw/zinc/93/46/60/626934660.db2.gz HXGPNLNRXDGWGY-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000884718128 626934721 /nfs/dbraw/zinc/93/47/21/626934721.db2.gz VGDVEVJGLLHMQM-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnn3ccccc23)cc1Cl ZINC000809700922 626938612 /nfs/dbraw/zinc/93/86/12/626938612.db2.gz RCNXUPNTNPGUQJ-UHFFFAOYSA-N 1 0 316.748 3.186 20 5 DGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809703691 626939585 /nfs/dbraw/zinc/93/95/85/626939585.db2.gz OIXTUOYWHPEPKM-JSGCOSHPSA-N 1 0 323.824 3.307 20 5 DGBDRO CC[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000809733016 626942968 /nfs/dbraw/zinc/94/29/68/626942968.db2.gz OOAHMJTYOOZVSX-RDTXWAMCSA-N 1 0 314.385 3.412 20 5 DGBDRO CCc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000809734647 626943646 /nfs/dbraw/zinc/94/36/46/626943646.db2.gz MNHMEDVDBWPYAR-UHFFFAOYSA-N 1 0 305.403 3.184 20 5 DGBDRO C[C@H](CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000809736396 626943688 /nfs/dbraw/zinc/94/36/88/626943688.db2.gz SIAZCQILCNHRQI-CYBMUJFWSA-N 1 0 317.364 3.303 20 5 DGBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809790144 626953910 /nfs/dbraw/zinc/95/39/10/626953910.db2.gz AOLNLJGEQFFRPI-HNNXBMFYSA-N 1 0 312.797 3.233 20 5 DGBDRO CC[C@H](C)[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017728 626968722 /nfs/dbraw/zinc/96/87/22/626968722.db2.gz HWARKYVHEXXLDG-VIFPVBQESA-N 1 0 321.204 3.494 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H](C4CCC4)C3)c2c1 ZINC000840190731 626973893 /nfs/dbraw/zinc/97/38/93/626973893.db2.gz YDXZAJWPUNBFAB-CQSZACIVSA-N 1 0 300.362 3.024 20 5 DGBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000810852005 627055981 /nfs/dbraw/zinc/05/59/81/627055981.db2.gz OLOBPDBNHGFFAU-JSGCOSHPSA-N 1 0 324.764 3.032 20 5 DGBDRO Cc1ccc(C)n1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885980316 627075522 /nfs/dbraw/zinc/07/55/22/627075522.db2.gz YRQOUUUPJBDMEV-UHFFFAOYSA-N 1 0 314.389 3.245 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000886318392 627136148 /nfs/dbraw/zinc/13/61/48/627136148.db2.gz RTKQQOUGGQMEPX-AWEZNQCLSA-N 1 0 320.389 3.042 20 5 DGBDRO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000886439561 627148744 /nfs/dbraw/zinc/14/87/44/627148744.db2.gz ZYJUMXSYBHMXCP-KRWDZBQOSA-N 1 0 318.348 3.208 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822202 627208658 /nfs/dbraw/zinc/20/86/58/627208658.db2.gz NPMNSCSUCOCLDV-VBQJREDUSA-N 1 0 304.390 3.465 20 5 DGBDRO C[NH+](C)C(C)(C)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811471700 627278410 /nfs/dbraw/zinc/27/84/10/627278410.db2.gz IGTHROGBMFIIIA-UHFFFAOYSA-N 1 0 320.220 3.331 20 5 DGBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000811518225 627285973 /nfs/dbraw/zinc/28/59/73/627285973.db2.gz HJLINVDCKBITJI-AWEZNQCLSA-N 1 0 312.797 3.135 20 5 DGBDRO CC[NH+](CC)CC(C)(C)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000813150266 627459004 /nfs/dbraw/zinc/45/90/04/627459004.db2.gz ANJKNSCESKEAEH-UHFFFAOYSA-N 1 0 308.378 3.120 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cc[nH]c(=O)c1 ZINC000815148107 627637671 /nfs/dbraw/zinc/63/76/71/627637671.db2.gz MBNZZAHECJINBB-SECBINFHSA-N 1 0 307.737 3.200 20 5 DGBDRO C[C@H]([NH2+]CCO[C@H]1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561432 627684719 /nfs/dbraw/zinc/68/47/19/627684719.db2.gz HDSYSYJPCAOIBJ-DCGLDWPTSA-N 1 0 321.421 3.423 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCOC23CCCCC3)cc1[N+](=O)[O-] ZINC000924842022 627686473 /nfs/dbraw/zinc/68/64/73/627686473.db2.gz NGGDKZZKRWDKQC-MRXNPFEDSA-N 1 0 320.389 3.185 20 5 DGBDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1(C)C ZINC000815585736 627688371 /nfs/dbraw/zinc/68/83/71/627688371.db2.gz QSLDIZOASUWRFE-DRZCJDIDSA-N 1 0 307.394 3.031 20 5 DGBDRO C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588859 627688486 /nfs/dbraw/zinc/68/84/86/627688486.db2.gz AQMSXSYMFRBYFX-LRDDRELGSA-N 1 0 321.421 3.159 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000925691606 627777549 /nfs/dbraw/zinc/77/75/49/627777549.db2.gz IWDHUWDUTQGOTA-LJISPDSOSA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000925691608 627777628 /nfs/dbraw/zinc/77/76/28/627777628.db2.gz IWDHUWDUTQGOTA-ZQDZILKHSA-N 1 0 304.390 3.451 20 5 DGBDRO CCC[C@H](NCc1cc(N)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000925772235 627791992 /nfs/dbraw/zinc/79/19/92/627791992.db2.gz RBJWIUJZXDXILR-INIZCTEOSA-N 1 0 300.362 3.203 20 5 DGBDRO CC(C)n1cc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000926492516 627903954 /nfs/dbraw/zinc/90/39/54/627903954.db2.gz CMVGLOZZHZALNF-RYUDHWBXSA-N 1 0 303.366 3.179 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000926835176 627962449 /nfs/dbraw/zinc/96/24/49/627962449.db2.gz IWDHUWDUTQGOTA-APIJFGDWSA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926939889 627985347 /nfs/dbraw/zinc/98/53/47/627985347.db2.gz AXBYPRLTPFOHGI-XBVQOTNRSA-N 1 0 316.401 3.097 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926949731 627987914 /nfs/dbraw/zinc/98/79/14/627987914.db2.gz NMYSZZSMRHDFPN-FKTZTGRPSA-N 1 0 303.284 3.026 20 5 DGBDRO CC(C)C(N)=[NH+]OCc1ccc(Br)cc1[N+](=O)[O-] ZINC000818083272 627993717 /nfs/dbraw/zinc/99/37/17/627993717.db2.gz XHEIJXGPEKTDDP-UHFFFAOYSA-N 1 0 316.155 3.012 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCCO1 ZINC000927016171 627998229 /nfs/dbraw/zinc/99/82/29/627998229.db2.gz UUYZWIPVQSQZIB-LRDDRELGSA-N 1 0 310.369 3.214 20 5 DGBDRO CCc1onc(C)c1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000927130015 628022794 /nfs/dbraw/zinc/02/27/94/628022794.db2.gz ARZZUBHOVQCXAK-JTQLQIEISA-N 1 0 321.352 3.314 20 5 DGBDRO Cc1ccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000818978598 628072102 /nfs/dbraw/zinc/07/21/02/628072102.db2.gz NAUHTLAABUNVPO-SFHVURJKSA-N 1 0 314.385 3.077 20 5 DGBDRO Cc1ccc([C@@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819089821 628090495 /nfs/dbraw/zinc/09/04/95/628090495.db2.gz UZPFKXVKFJMANF-KBXCAEBGSA-N 1 0 314.385 3.330 20 5 DGBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000819103571 628092783 /nfs/dbraw/zinc/09/27/83/628092783.db2.gz JTECRUKLFZSKJC-WBMJQRKESA-N 1 0 320.414 3.158 20 5 DGBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000819111898 628094045 /nfs/dbraw/zinc/09/40/45/628094045.db2.gz YKJNWLRUTKWIBL-SFHVURJKSA-N 1 0 314.385 3.077 20 5 DGBDRO Cc1cccc(C)c1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819172429 628105035 /nfs/dbraw/zinc/10/50/35/628105035.db2.gz BDTIFRKWGDRVJN-GOSISDBHSA-N 1 0 314.385 3.077 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000819261218 628122693 /nfs/dbraw/zinc/12/26/93/628122693.db2.gz HZGAULUGYDONFD-INIZCTEOSA-N 1 0 320.776 3.380 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1 ZINC000819291432 628127835 /nfs/dbraw/zinc/12/78/35/628127835.db2.gz UWACZJOPGGYMNU-RISCZKNCSA-N 1 0 314.332 3.043 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000819365865 628141899 /nfs/dbraw/zinc/14/18/99/628141899.db2.gz CNVWXMGGGZZPTG-OVGLSYRBSA-N 1 0 314.332 3.042 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc(F)ncc2F)cc1 ZINC000823956105 628613545 /nfs/dbraw/zinc/61/35/45/628613545.db2.gz QGCGTGSUBJIFHI-UHFFFAOYSA-N 1 0 321.327 3.381 20 5 DGBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+](C2CC2)C1 ZINC000824445548 628661505 /nfs/dbraw/zinc/66/15/05/628661505.db2.gz DYFIVCDNTRXMGH-LBPRGKRZSA-N 1 0 323.824 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Cl ZINC000824721241 628687094 /nfs/dbraw/zinc/68/70/94/628687094.db2.gz ABXJVUNOZQMFHV-XPKDYRNWSA-N 1 0 324.808 3.374 20 5 DGBDRO CC[NH+](CC)Cc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)o1 ZINC000825219029 628739059 /nfs/dbraw/zinc/73/90/59/628739059.db2.gz PGTVQGQYZXAYJQ-UHFFFAOYSA-N 1 0 318.329 3.249 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000825245809 628741474 /nfs/dbraw/zinc/74/14/74/628741474.db2.gz RNJQOBAUHYOBGD-GFCCVEGCSA-N 1 0 319.188 3.152 20 5 DGBDRO CO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000832209408 629450727 /nfs/dbraw/zinc/45/07/27/629450727.db2.gz HZXLDRCACPPYMF-GJZGRUSLSA-N 1 0 308.353 3.123 20 5 DGBDRO CC(C)(C)C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832727634 629508303 /nfs/dbraw/zinc/50/83/03/629508303.db2.gz VKCNPQUZHKZYQG-CJNGLKHVSA-N 1 0 306.406 3.386 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000834675262 629754091 /nfs/dbraw/zinc/75/40/91/629754091.db2.gz DNTNFHKRGPTJGU-ZIAGYGMSSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834884242 629796867 /nfs/dbraw/zinc/79/68/67/629796867.db2.gz XWVLATDWYNJRRO-STQMWFEESA-N 1 0 319.405 3.177 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000837440042 630257773 /nfs/dbraw/zinc/25/77/73/630257773.db2.gz KLODPLKTCOIGRX-CYBMUJFWSA-N 1 0 324.352 3.154 20 5 DGBDRO OC[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1O ZINC000840976490 630390040 /nfs/dbraw/zinc/39/00/40/630390040.db2.gz WWKZMHVBMSZUAQ-UTKZUKDTSA-N 1 0 321.420 3.168 20 5 DGBDRO COCCNCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000841048143 630402048 /nfs/dbraw/zinc/40/20/48/630402048.db2.gz LZODCCKTGUQCMD-UHFFFAOYSA-N 1 0 308.425 3.319 20 5 DGBDRO C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841761368 630462768 /nfs/dbraw/zinc/46/27/68/630462768.db2.gz PIUITMQVABOLCA-BZNIZROVSA-N 1 0 313.357 3.099 20 5 DGBDRO C[C@H]([NH2+][C@H]1COCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841761583 630462787 /nfs/dbraw/zinc/46/27/87/630462787.db2.gz PIUITMQVABOLCA-ZBEGNZNMSA-N 1 0 313.357 3.099 20 5 DGBDRO C[C@H]([NH2+][C@H](CO)CC1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841760408 630462811 /nfs/dbraw/zinc/46/28/11/630462811.db2.gz FFBQAXKLWKTAJD-WFASDCNBSA-N 1 0 321.421 3.159 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000842473196 630539397 /nfs/dbraw/zinc/53/93/97/630539397.db2.gz TYUGDDIQNBTROB-JKSUJKDBSA-N 1 0 323.824 3.355 20 5 DGBDRO CC[N@H+](CCSC)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000842645173 630557603 /nfs/dbraw/zinc/55/76/03/630557603.db2.gz BBETWBNHWFNAGI-UHFFFAOYSA-N 1 0 320.418 3.101 20 5 DGBDRO C[C@H]1SCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842929616 630594887 /nfs/dbraw/zinc/59/48/87/630594887.db2.gz NZIYGBUEIFZDRV-WBMJQRKESA-N 1 0 321.446 3.047 20 5 DGBDRO [NH3+]C[C@H]1CN(Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000843065105 630610549 /nfs/dbraw/zinc/61/05/49/630610549.db2.gz IZDXTFMULJXDLL-KRWDZBQOSA-N 1 0 306.409 3.153 20 5 DGBDRO CCC[NH+](CCC)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000105174982 630659366 /nfs/dbraw/zinc/65/93/66/630659366.db2.gz SXWWSKSQSNJHNZ-UHFFFAOYSA-N 1 0 313.785 3.309 20 5 DGBDRO O=C(CC[N@@H+]1CCC12CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000844359814 630720999 /nfs/dbraw/zinc/72/09/99/630720999.db2.gz MMUZQKHVCBJDKM-UHFFFAOYSA-N 1 0 321.352 3.081 20 5 DGBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844379795 630722884 /nfs/dbraw/zinc/72/28/84/630722884.db2.gz PSIVMTOLEBRVLU-MFKMUULPSA-N 1 0 300.786 3.135 20 5 DGBDRO O=C(C[NH2+]C1(C2CCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844419097 630727272 /nfs/dbraw/zinc/72/72/72/630727272.db2.gz LSFDZNDSTDHYQV-UHFFFAOYSA-N 1 0 323.780 3.109 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CNc3ccccc3C2)cc1Cl ZINC000844906621 630973256 /nfs/dbraw/zinc/97/32/56/630973256.db2.gz VMMBBIIHBVIALU-CYBMUJFWSA-N 1 0 317.776 3.375 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCCC1 ZINC000848521416 631675515 /nfs/dbraw/zinc/67/55/15/631675515.db2.gz OFFHVHVBUWJHFE-CJNGLKHVSA-N 1 0 303.406 3.046 20 5 DGBDRO C[C@](O)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccsc1 ZINC000848528086 631678801 /nfs/dbraw/zinc/67/88/01/631678801.db2.gz KCIRJJQANPCTTG-ZBFHGGJFSA-N 1 0 318.398 3.141 20 5 DGBDRO Cc1noc(C)c1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848533281 631681860 /nfs/dbraw/zinc/68/18/60/631681860.db2.gz QAIHMQFVTGXKPZ-MRXNPFEDSA-N 1 0 315.373 3.409 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000848536974 631683187 /nfs/dbraw/zinc/68/31/87/631683187.db2.gz YTDSMPKAWNUSSE-IEBWSBKVSA-N 1 0 324.380 3.006 20 5 DGBDRO C[C@@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848566183 631694855 /nfs/dbraw/zinc/69/48/55/631694855.db2.gz RZUOQJPQQNSRRE-RAIGVLPGSA-N 1 0 307.394 3.174 20 5 DGBDRO C[C@H]1CCCN(C(=[NH2+])NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000849077044 631828392 /nfs/dbraw/zinc/82/83/92/631828392.db2.gz IDUDMHBBFQQAGQ-NSHDSACASA-N 1 0 324.812 3.047 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000850409599 632143090 /nfs/dbraw/zinc/14/30/90/632143090.db2.gz CMPVSNAZRULFPD-UHFFFAOYSA-N 1 0 313.829 3.458 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)[NH+]1CCCCC1 ZINC000850423703 632148611 /nfs/dbraw/zinc/14/86/11/632148611.db2.gz AGSALUCDLSPASD-ZIAGYGMSSA-N 1 0 321.421 3.128 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)[NH+]1CCCCC1 ZINC000850423700 632148642 /nfs/dbraw/zinc/14/86/42/632148642.db2.gz AGSALUCDLSPASD-KGLIPLIRSA-N 1 0 321.421 3.128 20 5 DGBDRO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850495277 632171692 /nfs/dbraw/zinc/17/16/92/632171692.db2.gz ZIMPOAJZYZSTJA-FZMZJTMJSA-N 1 0 307.394 3.033 20 5 DGBDRO CSCC1(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000850508968 632174168 /nfs/dbraw/zinc/17/41/68/632174168.db2.gz WOVXPAKFFYDHPF-LLVKDONJSA-N 1 0 309.435 3.361 20 5 DGBDRO C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850535274 632185106 /nfs/dbraw/zinc/18/51/06/632185106.db2.gz WDADCHUAGMMGEO-GDLCADMTSA-N 1 0 312.316 3.060 20 5 DGBDRO CC[N@@H+]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000852166035 632565810 /nfs/dbraw/zinc/56/58/10/632565810.db2.gz BNYGGQSYWSQKMO-GFCCVEGCSA-N 1 0 311.813 3.164 20 5 DGBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852422614 632601576 /nfs/dbraw/zinc/60/15/76/632601576.db2.gz GJXOOBZUOLHDIX-ABAIWWIYSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(CCCC2)C1 ZINC000173822365 659402516 /nfs/dbraw/zinc/40/25/16/659402516.db2.gz HODUBKVKGYZWID-CYBMUJFWSA-N 1 0 317.389 3.188 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792877960 660991127 /nfs/dbraw/zinc/99/11/27/660991127.db2.gz YBCXRTWFVTTWRC-GHMZBOCLSA-N 1 0 307.350 3.417 20 5 DGBDRO CC1(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000793198222 661012172 /nfs/dbraw/zinc/01/21/72/661012172.db2.gz HNQRKOASLLZSHS-UHFFFAOYSA-N 1 0 303.406 3.343 20 5 DGBDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000793539054 661043450 /nfs/dbraw/zinc/04/34/50/661043450.db2.gz GVBBCRKOJXYWRD-STQMWFEESA-N 1 0 302.378 3.357 20 5 DGBDRO Cc1nn(C[NH+]2CCC(C3CC3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000793609339 661049296 /nfs/dbraw/zinc/04/92/96/661049296.db2.gz CPWSJMONTWCESR-UHFFFAOYSA-N 1 0 314.389 3.332 20 5 DGBDRO CCC(CC)C[N@H+](CC)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794621065 661094785 /nfs/dbraw/zinc/09/47/85/661094785.db2.gz RVXPRJQGDKANNF-UHFFFAOYSA-N 1 0 321.377 3.218 20 5 DGBDRO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCC(C)(C)C1 ZINC000794683326 661098482 /nfs/dbraw/zinc/09/84/82/661098482.db2.gz DGJSCISQWSNBGT-AWEZNQCLSA-N 1 0 302.378 3.413 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000255306522 655695829 /nfs/dbraw/zinc/69/58/29/655695829.db2.gz RAIVQXGSFKFTDO-FWEDBPMCSA-N 1 0 302.374 3.251 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933878429 655737362 /nfs/dbraw/zinc/73/73/62/655737362.db2.gz KEENCTUDDRWULT-MRXNPFEDSA-N 1 0 320.389 3.055 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]21 ZINC000178003097 655952520 /nfs/dbraw/zinc/95/25/20/655952520.db2.gz NLGFTDGLEWHMDR-LRDDRELGSA-N 1 0 323.824 3.164 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC1(C)OCCO1 ZINC000715968850 661216705 /nfs/dbraw/zinc/21/67/05/661216705.db2.gz WHULIWCNEUMYLN-OLZOCXBDSA-N 1 0 308.378 3.035 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC1(C)OCCO1 ZINC000715968857 661216831 /nfs/dbraw/zinc/21/68/31/661216831.db2.gz WHULIWCNEUMYLN-STQMWFEESA-N 1 0 308.378 3.035 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(OCCC2CC[NH2+]CC2)cc1F ZINC000312510666 656144775 /nfs/dbraw/zinc/14/47/75/656144775.db2.gz DLCSVBPCNKKRMW-UHFFFAOYSA-N 1 0 302.733 3.156 20 5 DGBDRO OCCC[N@H+](CCO)Cc1c2ccccc2cc2ccccc21 ZINC000093323993 656308625 /nfs/dbraw/zinc/30/86/25/656308625.db2.gz MCUQMHMTLGVTOO-UHFFFAOYSA-N 1 0 309.409 3.170 20 5 DGBDRO CC1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000262071678 657310401 /nfs/dbraw/zinc/31/04/01/657310401.db2.gz GCPXFQRUKJNJEN-UHFFFAOYSA-N 1 0 317.311 3.415 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCSC(F)(F)F ZINC000171128331 659261180 /nfs/dbraw/zinc/26/11/80/659261180.db2.gz CVKQTGUWNXCAOF-UHFFFAOYSA-N 1 0 324.324 3.336 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000173827764 659401579 /nfs/dbraw/zinc/40/15/79/659401579.db2.gz LQZMNOBCJSTWBB-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO [NH3+]CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261959858 659586766 /nfs/dbraw/zinc/58/67/66/659586766.db2.gz PEYJQSOPDOKVAY-UHFFFAOYSA-N 1 0 319.792 3.209 20 5 DGBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000174864914 659891260 /nfs/dbraw/zinc/89/12/60/659891260.db2.gz RNWROQBXATXNIQ-GFCCVEGCSA-N 1 0 311.813 3.022 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC(c2ncco2)CC1 ZINC000931449150 661477068 /nfs/dbraw/zinc/47/70/68/661477068.db2.gz PWNFLBYRGRORCV-UHFFFAOYSA-N 1 0 305.309 3.102 20 5 DGBDRO COc1ccc([C@H](C)NCc2onc(C)c2[N+](=O)[O-])cc1C ZINC000932568377 661580791 /nfs/dbraw/zinc/58/07/91/661580791.db2.gz APJPKDYUDJTQGO-JTQLQIEISA-N 1 0 305.334 3.059 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933078795 661616446 /nfs/dbraw/zinc/61/64/46/661616446.db2.gz RCFGJCFXQCRXEU-CQSZACIVSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)cc1F ZINC000933081200 661616588 /nfs/dbraw/zinc/61/65/88/661616588.db2.gz KEMCHHMBMMZAOH-HNNXBMFYSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC23CCCCC3)cc1F ZINC000933870931 661664195 /nfs/dbraw/zinc/66/41/95/661664195.db2.gz MZMCSQDKSQIIGC-OAHLLOKOSA-N 1 0 308.353 3.315 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000933879889 661664739 /nfs/dbraw/zinc/66/47/39/661664739.db2.gz VSIQDXNHXJQMCF-HNNXBMFYSA-N 1 0 308.353 3.315 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(CC2CCC2)c1 ZINC000934553820 661714975 /nfs/dbraw/zinc/71/49/75/661714975.db2.gz LUILFTOJZODPCE-CYBMUJFWSA-N 1 0 314.389 3.442 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934687805 661725501 /nfs/dbraw/zinc/72/55/01/661725501.db2.gz QTPPUJFPDXSVKL-KRWDZBQOSA-N 1 0 313.357 3.239 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cs1 ZINC000934838010 661739540 /nfs/dbraw/zinc/73/95/40/661739540.db2.gz YDZLGQXJPIKKSL-KGLIPLIRSA-N 1 0 310.419 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000934838962 661739835 /nfs/dbraw/zinc/73/98/35/661739835.db2.gz RLWDPDWZCNWKNA-UKRRQHHQSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000934838963 661739947 /nfs/dbraw/zinc/73/99/47/661739947.db2.gz RLWDPDWZCNWKNA-ZFWWWQNUSA-N 1 0 322.380 3.373 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000936033157 661827550 /nfs/dbraw/zinc/82/75/50/661827550.db2.gz LADKTRFFIYJGFO-CQSZACIVSA-N 1 0 305.378 3.023 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040622612 661832076 /nfs/dbraw/zinc/83/20/76/661832076.db2.gz OFDMXMRZIGISDC-LBPRGKRZSA-N 1 0 311.813 3.068 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH+]2CCCCCCC2)cccc1[N+](=O)[O-] ZINC000042288984 661839532 /nfs/dbraw/zinc/83/95/32/661839532.db2.gz GHIPTBPSDOWXMZ-CQSZACIVSA-N 1 0 319.405 3.496 20 5 DGBDRO CC(C)(C)OC(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000174433973 685105948 /nfs/dbraw/zinc/10/59/48/685105948.db2.gz AOUATRFKFPVESY-UHFFFAOYSA-N 1 0 314.769 3.070 20 5 DGBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])c2ccccc2C[NH2+]1 ZINC001576807255 1191870082 /nfs/dbraw/zinc/87/00/82/1191870082.db2.gz OUNIGZOHDFVCMZ-GFCCVEGCSA-N 1 0 315.348 3.232 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC001578263357 1191935631 /nfs/dbraw/zinc/93/56/31/1191935631.db2.gz BAEKPOSHHFHPFX-AWEZNQCLSA-N 1 0 307.394 3.105 20 5 DGBDRO C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)C1CC[NH2+]CC1 ZINC001579485649 1191977816 /nfs/dbraw/zinc/97/78/16/1191977816.db2.gz DDOIKXIRUVXSFT-VIFPVBQESA-N 1 0 306.391 3.005 20 5 DGBDRO Cc1cc(NCCCCCC2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001579635606 1191983025 /nfs/dbraw/zinc/98/30/25/1191983025.db2.gz HWLNBEIJWCUJPW-UHFFFAOYSA-N 1 0 306.410 3.270 20 5 DGBDRO Cc1cc(N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)c([N+](=O)[O-])cc1C(F)(F)F ZINC001579637992 1191983483 /nfs/dbraw/zinc/98/34/83/1191983483.db2.gz MEMSMJMKFWVUBL-MIMYLULJSA-N 1 0 315.295 3.227 20 5 DGBDRO O=C(Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001580769958 1192040116 /nfs/dbraw/zinc/04/01/16/1192040116.db2.gz GVMBHTYFNORGFJ-UHFFFAOYSA-N 1 0 317.732 3.104 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCCC[NH2+]2)c2ncccc12 ZINC001580875566 1192043425 /nfs/dbraw/zinc/04/34/25/1192043425.db2.gz NBEOVITVQMOKND-GFCCVEGCSA-N 1 0 300.362 3.087 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1Nc1ccc2c(c1)C[NH2+]CC2 ZINC001580874943 1192043553 /nfs/dbraw/zinc/04/35/53/1192043553.db2.gz QCHXQYOMCRBQTQ-UHFFFAOYSA-N 1 0 304.737 3.033 20 5 DGBDRO CC(C)[C@@H](O)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001620801445 1192083336 /nfs/dbraw/zinc/08/33/36/1192083336.db2.gz DBOUJZVESMGEEN-INIZCTEOSA-N 1 0 318.373 3.351 20 5 DGBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001620816003 1192108863 /nfs/dbraw/zinc/10/88/63/1192108863.db2.gz OLZGVOGJOQQAAE-MRXNPFEDSA-N 1 0 314.341 3.217 20 5 DGBDRO Cc1ncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC001620878737 1192522916 /nfs/dbraw/zinc/52/29/16/1192522916.db2.gz YKXLJHXJDBDNSQ-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)CCC(C)(C)C ZINC001620915035 1192597207 /nfs/dbraw/zinc/59/72/07/1192597207.db2.gz OQWFFBYURZNBPM-AWEZNQCLSA-N 1 0 324.421 3.270 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC000351937467 1178053717 /nfs/dbraw/zinc/05/37/17/1178053717.db2.gz ODAJLYIJNNKNTN-PBHICJAKSA-N 1 0 306.406 3.305 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCC(c3c[nH]cn3)CC2)c2ccccc21 ZINC001333910851 1178694246 /nfs/dbraw/zinc/69/42/46/1178694246.db2.gz ALYDHCYIYXFSRT-UHFFFAOYSA-N 1 0 323.356 3.250 20 5 DGBDRO CC(C)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001335335328 1178897229 /nfs/dbraw/zinc/89/72/29/1178897229.db2.gz DYHHKLRZHOXXCK-DLBZAZTESA-N 1 0 315.373 3.010 20 5 DGBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001343596304 1179302267 /nfs/dbraw/zinc/30/22/67/1179302267.db2.gz OBCCETNMLDOSAF-LSDHHAIUSA-N 1 0 320.389 3.150 20 5 DGBDRO Cc1csc(CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC001349609146 1179921577 /nfs/dbraw/zinc/92/15/77/1179921577.db2.gz XXPXTQDYUKYPOT-UHFFFAOYSA-N 1 0 305.403 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCC(F)F)CC2)cc1 ZINC001350637802 1180100344 /nfs/dbraw/zinc/10/03/44/1180100344.db2.gz ZSQXOTGJJANZQI-UHFFFAOYSA-N 1 0 313.348 3.199 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@@H]2CC[C@H]2O)o1 ZINC001355292461 1181029788 /nfs/dbraw/zinc/02/97/88/1181029788.db2.gz SILJAEJECQRHDF-TZMCWYRMSA-N 1 0 322.748 3.121 20 5 DGBDRO CC[N@@H+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H]1C ZINC001458267792 1182509534 /nfs/dbraw/zinc/50/95/34/1182509534.db2.gz VSDDGEOCBYPVNX-SNVBAGLBSA-N 1 0 317.311 3.144 20 5 DGBDRO C[C@@H](CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC001458480959 1182529729 /nfs/dbraw/zinc/52/97/29/1182529729.db2.gz ZVTYIQGLMVETGB-VIFPVBQESA-N 1 0 305.300 3.366 20 5 DGBDRO CCC[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001458553512 1182538823 /nfs/dbraw/zinc/53/88/23/1182538823.db2.gz CHFXJLUKZMYRSP-NSHDSACASA-N 1 0 317.311 3.192 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1NCc1nc2c([nH]1)CCCC2 ZINC001458644480 1182545905 /nfs/dbraw/zinc/54/59/05/1182545905.db2.gz RASFUHNQOISFBB-UHFFFAOYSA-N 1 0 306.753 3.462 20 5 DGBDRO O=[N+]([O-])c1ccsc1N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001458717876 1182550081 /nfs/dbraw/zinc/55/00/81/1182550081.db2.gz IZWZKLCDEFWFSX-GFCCVEGCSA-N 1 0 323.805 3.461 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001459956120 1182633705 /nfs/dbraw/zinc/63/37/05/1182633705.db2.gz WTRSOGFYXQEJSQ-DZGCQCFKSA-N 1 0 322.405 3.493 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001459956130 1182634213 /nfs/dbraw/zinc/63/42/13/1182634213.db2.gz WTRSOGFYXQEJSQ-ZFWWWQNUSA-N 1 0 322.405 3.493 20 5 DGBDRO CC[N@H+]1[C@H](C)CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC001460328232 1182677136 /nfs/dbraw/zinc/67/71/36/1182677136.db2.gz JDSCFMNMZLUOCU-TXEJJXNPSA-N 1 0 311.813 3.163 20 5 DGBDRO C[N@@H+]1C[C@@]2(C)CN(Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001460557050 1182695846 /nfs/dbraw/zinc/69/58/46/1182695846.db2.gz BCJDWZRFUPMHGT-IYBDPMFKSA-N 1 0 323.824 3.022 20 5 DGBDRO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCCC1 ZINC001460779362 1182720874 /nfs/dbraw/zinc/72/08/74/1182720874.db2.gz RWBIJOCPCZQKFE-HNNXBMFYSA-N 1 0 317.433 3.086 20 5 DGBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCCC1 ZINC001460779364 1182721644 /nfs/dbraw/zinc/72/16/44/1182721644.db2.gz RWBIJOCPCZQKFE-OAHLLOKOSA-N 1 0 317.433 3.086 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOCC12CCCC2 ZINC001460962678 1182747740 /nfs/dbraw/zinc/74/77/40/1182747740.db2.gz ICDBBVLGASVSOR-INIZCTEOSA-N 1 0 320.389 3.042 20 5 DGBDRO C[C@@H](CC[NH+](C)C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001461125434 1182771467 /nfs/dbraw/zinc/77/14/67/1182771467.db2.gz GQRKNZNCXPNJFM-ZDUSSCGKSA-N 1 0 317.389 3.285 20 5 DGBDRO CC1CCC2(CC1)OC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)O2 ZINC001461397423 1182806196 /nfs/dbraw/zinc/80/61/96/1182806196.db2.gz HNIVQZZQAOFGRU-BLDCVEFLSA-N 1 0 320.389 3.006 20 5 DGBDRO Cc1ccc2ncc(C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])n2c1 ZINC001461732870 1182847205 /nfs/dbraw/zinc/84/72/05/1182847205.db2.gz YWQICDBJHAUYHI-ZDUSSCGKSA-N 1 0 310.357 3.402 20 5 DGBDRO COC(=O)CCCCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001462205569 1182924098 /nfs/dbraw/zinc/92/40/98/1182924098.db2.gz HMZPWPZTHAUVCY-SDNWHVSQSA-N 1 0 320.389 3.321 20 5 DGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001463662674 1183038956 /nfs/dbraw/zinc/03/89/56/1183038956.db2.gz COCMBNVQNRGCBX-UHFFFAOYSA-N 1 0 324.340 3.451 20 5 DGBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CC)C(=O)OCC ZINC001473382094 1183750361 /nfs/dbraw/zinc/75/03/61/1183750361.db2.gz SXJNAZXQMIIRIV-INIZCTEOSA-N 1 0 322.405 3.191 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CCC(C)(C)C2CC2)c1[N+](=O)[O-] ZINC001474548405 1183939527 /nfs/dbraw/zinc/93/95/27/1183939527.db2.gz AELOOXMGTZABNQ-UHFFFAOYSA-N 1 0 308.378 3.225 20 5 DGBDRO CC1(C)CC[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)OC1 ZINC001474728800 1183969002 /nfs/dbraw/zinc/96/90/02/1183969002.db2.gz QUBCWGHMPAJQKK-AWEZNQCLSA-N 1 0 310.369 3.419 20 5 DGBDRO CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001611718073 1193440463 /nfs/dbraw/zinc/44/04/63/1193440463.db2.gz FBIADAJWWDBHGC-UHFFFAOYSA-N 1 0 317.311 3.146 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001517709888 1186818667 /nfs/dbraw/zinc/81/86/67/1186818667.db2.gz UEQWPWZFPYIWHI-CYBMUJFWSA-N 1 0 322.409 3.145 20 5 DGBDRO C[NH+](C)CCN(Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC001612098793 1193446794 /nfs/dbraw/zinc/44/67/94/1193446794.db2.gz AXMHLFZAEFXKQT-UHFFFAOYSA-N 1 0 317.364 3.302 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC(C)(C)CC1 ZINC001615700152 1193526715 /nfs/dbraw/zinc/52/67/15/1193526715.db2.gz LHDUHHYNKOVCQQ-ZDUSSCGKSA-N 1 0 319.405 3.434 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001618010355 1193588784 /nfs/dbraw/zinc/58/87/84/1193588784.db2.gz DLXHGODBKSSEDS-CVEARBPZSA-N 1 0 322.405 3.155 20 5 DGBDRO CC(C)C[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[NH+](C)C ZINC001559062492 1189166937 /nfs/dbraw/zinc/16/69/37/1189166937.db2.gz ZKVIPLMNOQPNAR-CQSZACIVSA-N 1 0 320.437 3.257 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1(C)C ZINC001559219586 1189182405 /nfs/dbraw/zinc/18/24/05/1189182405.db2.gz TXZOOAVKJVWNQK-CABCVRRESA-N 1 0 314.389 3.284 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(N2CC[NH2+][C@@H](c3ccccc3)C2)c(F)c1 ZINC001559285290 1189192255 /nfs/dbraw/zinc/19/22/55/1189192255.db2.gz IVYQTDYYTJWBBY-OAHLLOKOSA-N 1 0 319.311 3.024 20 5 DGBDRO CCC1(C)CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001559511621 1189211739 /nfs/dbraw/zinc/21/17/39/1189211739.db2.gz FFAHHQLAYFRCEM-ZDUSSCGKSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H]1C ZINC001559768088 1189240470 /nfs/dbraw/zinc/24/04/70/1189240470.db2.gz CMZOMNMGHMMXEQ-CHWSQXEVSA-N 1 0 308.378 3.103 20 5 DGBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001559830726 1189247704 /nfs/dbraw/zinc/24/77/04/1189247704.db2.gz KZFGEOANEMMOEW-LBPRGKRZSA-N 1 0 302.296 3.162 20 5 DGBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001559965252 1189264066 /nfs/dbraw/zinc/26/40/66/1189264066.db2.gz XNUXENSUXNWBLE-CJNGLKHVSA-N 1 0 324.421 3.269 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC001560011682 1189268597 /nfs/dbraw/zinc/26/85/97/1189268597.db2.gz NHLKNTCQINIFFP-HNNXBMFYSA-N 1 0 304.390 3.486 20 5 DGBDRO CC[C@@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001560060689 1189273616 /nfs/dbraw/zinc/27/36/16/1189273616.db2.gz TXYOBHDSPGAXRA-QGZVFWFLSA-N 1 0 322.405 3.119 20 5 DGBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)c[nH]c1=O ZINC001560611135 1189348244 /nfs/dbraw/zinc/34/82/44/1189348244.db2.gz PATAXSVUOGOVQT-SDQBBNPISA-N 1 0 313.357 3.197 20 5 DGBDRO COC[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC001561020888 1189421390 /nfs/dbraw/zinc/42/13/90/1189421390.db2.gz UBDTXYUZDRDJIT-HOCLYGCPSA-N 1 0 308.422 3.424 20 5 DGBDRO CC(C)=CCC[C@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575390446 1191478653 /nfs/dbraw/zinc/47/86/53/1191478653.db2.gz UXHIZMRZFMSLTQ-SUMWQHHRSA-N 1 0 319.405 3.020 20 5 DGBDRO CC(C)C[C@@](C)(C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001575531296 1191489545 /nfs/dbraw/zinc/48/95/45/1191489545.db2.gz RDAGCAKHZMWNOV-AWEZNQCLSA-N 1 0 313.785 3.198 20 5 DGBDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC001576389021 1191579241 /nfs/dbraw/zinc/57/92/41/1191579241.db2.gz DMABCMZVFPAAHT-YUELXQCFSA-N 1 0 323.824 3.114 20 5 DGBDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001576390440 1191580497 /nfs/dbraw/zinc/58/04/97/1191580497.db2.gz OAXKBMNNEVYHMA-CFVMTHIKSA-N 1 0 323.824 3.114 20 5 DGBDRO CC1(C)CC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])[NH2+]C1 ZINC001576421850 1191603430 /nfs/dbraw/zinc/60/34/30/1191603430.db2.gz QMBRIJUQBWVFMR-CYBMUJFWSA-N 1 0 314.389 3.333 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CC3CCC2CC3)c1 ZINC001618107226 1193724480 /nfs/dbraw/zinc/72/44/80/1193724480.db2.gz XZNHKJTVYOWFLK-QOZQQMKHSA-N 1 0 318.373 3.050 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1F ZINC001620669667 1193788638 /nfs/dbraw/zinc/78/86/38/1193788638.db2.gz XIFZTEUQZYCXNY-HOTGVXAUSA-N 1 0 308.353 3.267 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC001621402335 1193837640 /nfs/dbraw/zinc/83/76/40/1193837640.db2.gz QTSMNDLKKKSJCL-LLVKDONJSA-N 1 0 308.378 3.367 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001629073280 1194212919 /nfs/dbraw/zinc/21/29/19/1194212919.db2.gz SFTAAEJGKUXVTE-AWEZNQCLSA-N 1 0 319.405 3.271 20 5 DGBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC001639147161 1194753335 /nfs/dbraw/zinc/75/33/35/1194753335.db2.gz ODNZBBXMGYWUFA-UHFFFAOYSA-N 1 0 313.348 3.310 20 5 DGBDRO CC1CC[NH+](CCNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001639271905 1194758095 /nfs/dbraw/zinc/75/80/95/1194758095.db2.gz DBNPUJJGEYNNDN-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001640155397 1194799162 /nfs/dbraw/zinc/79/91/62/1194799162.db2.gz QLCFYEGZTZIBDO-LLVKDONJSA-N 1 0 312.801 3.176 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(NC[C@@H]2CSCC[NH2+]2)c(Cl)c1 ZINC001640350926 1194807493 /nfs/dbraw/zinc/80/74/93/1194807493.db2.gz UYRSBRZVJVXWHJ-SSDOTTSWSA-N 1 0 322.217 3.019 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C)C3(CCCCC3)C2)c([N+](=O)[O-])s1 ZINC001642707262 1194930989 /nfs/dbraw/zinc/93/09/89/1194930989.db2.gz MJUZZRDFHKQHDK-UHFFFAOYSA-N 1 0 309.435 3.419 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001643089961 1194979022 /nfs/dbraw/zinc/97/90/22/1194979022.db2.gz MECUTEDWKZOCDY-UONOGXRCSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001643622524 1195040130 /nfs/dbraw/zinc/04/01/30/1195040130.db2.gz QGLGOGPHPDAHBB-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO CO[C@@]1(C)C[C@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001645714229 1195198637 /nfs/dbraw/zinc/19/86/37/1195198637.db2.gz WXPCCFONKZXWPV-RDJZCZTQSA-N 1 0 322.405 3.157 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC001648056578 1195274408 /nfs/dbraw/zinc/27/44/08/1195274408.db2.gz IXMDGTCPCBMBFN-GASCZTMLSA-N 1 0 302.374 3.262 20 5 DGBDRO CCOc1cc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001651174926 1195423657 /nfs/dbraw/zinc/42/36/57/1195423657.db2.gz WJYJKRATXBFWKO-LSDHHAIUSA-N 1 0 307.394 3.134 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001651234035 1195430058 /nfs/dbraw/zinc/43/00/58/1195430058.db2.gz ANKSJBMIISTXOA-ZDUSSCGKSA-N 1 0 314.389 3.428 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001651234016 1195430158 /nfs/dbraw/zinc/43/01/58/1195430158.db2.gz AKNNSMDUJRSJGC-CYBMUJFWSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC001651373621 1195450998 /nfs/dbraw/zinc/45/09/98/1195450998.db2.gz JKUVEPBRVJNWCX-QWRGUYRKSA-N 1 0 313.348 3.405 20 5 DGBDRO C[C@@H]1[C@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001651434763 1195460184 /nfs/dbraw/zinc/46/01/84/1195460184.db2.gz CPXDTYPHQIGOHH-PSASIEDQSA-N 1 0 303.284 3.118 20 5 DGBDRO C[NH+](C)CC1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC001651729469 1195502475 /nfs/dbraw/zinc/50/24/75/1195502475.db2.gz LMJPHBSNUCEIEO-UHFFFAOYSA-N 1 0 313.348 3.407 20 5 DGBDRO C[NH+](C)CCN(Cc1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC001651930981 1195525101 /nfs/dbraw/zinc/52/51/01/1195525101.db2.gz WPAQZCRBBKTRRT-UHFFFAOYSA-N 1 0 305.403 3.225 20 5 DGBDRO C[C@H]1CCC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001652364609 1195588843 /nfs/dbraw/zinc/58/88/43/1195588843.db2.gz SKHQVWVQGPNAHW-BBRMVZONSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC001652484527 1195604902 /nfs/dbraw/zinc/60/49/02/1195604902.db2.gz WNVDHNGXDLQIPA-QGZVFWFLSA-N 1 0 316.405 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOc2cccc(F)c2)c(F)c1 ZINC001653219499 1195699708 /nfs/dbraw/zinc/69/97/08/1195699708.db2.gz UUZWVOSQTGNIQG-UHFFFAOYSA-N 1 0 322.311 3.432 20 5 DGBDRO CO[C@]1(C)C[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653446316 1195723558 /nfs/dbraw/zinc/72/35/58/1195723558.db2.gz YORDVECJWGJTRD-NVXWUHKLSA-N 1 0 322.405 3.109 20 5 DGBDRO CC(C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC001653453254 1195723681 /nfs/dbraw/zinc/72/36/81/1195723681.db2.gz UHHKFGGXXDOVEV-UHFFFAOYSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001653600509 1195737435 /nfs/dbraw/zinc/73/74/35/1195737435.db2.gz DMWQCCSLRWGQEK-ZDUSSCGKSA-N 1 0 311.813 3.164 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)C1(C)CC1 ZINC001654997123 1195862668 /nfs/dbraw/zinc/86/26/68/1195862668.db2.gz PABMBVZLWTVXIN-LBPRGKRZSA-N 1 0 305.378 3.010 20 5 DGBDRO C[N@H+](CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-])C1CC1 ZINC001655033778 1195867771 /nfs/dbraw/zinc/86/77/71/1195867771.db2.gz TVFKZZPRZDJIAS-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001655098283 1195875921 /nfs/dbraw/zinc/87/59/21/1195875921.db2.gz CIVQWFINPVYDHB-SECBINFHSA-N 1 0 318.204 3.432 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001655098284 1195876012 /nfs/dbraw/zinc/87/60/12/1195876012.db2.gz CIVQWFINPVYDHB-VIFPVBQESA-N 1 0 318.204 3.432 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@]12CCCOC2 ZINC001655141718 1195881689 /nfs/dbraw/zinc/88/16/89/1195881689.db2.gz LNLADPWJWLIRDB-KRWDZBQOSA-N 1 0 320.389 3.009 20 5 DGBDRO CCC[N@H+](CC)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001655212308 1195891402 /nfs/dbraw/zinc/89/14/02/1195891402.db2.gz VTLHDDPWNMZHBA-UHFFFAOYSA-N 1 0 306.410 3.012 20 5 DGBDRO Cc1c(CN[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001655415821 1195914060 /nfs/dbraw/zinc/91/40/60/1195914060.db2.gz ALOBKXZFHWHPAH-KGLIPLIRSA-N 1 0 305.422 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(Cl)c1NC[C@H]1CSCC[NH2+]1 ZINC001655815136 1195965864 /nfs/dbraw/zinc/96/58/64/1195965864.db2.gz SURFXXWMMRPHKN-ZETCQYMHSA-N 1 0 322.217 3.019 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1csc([N+](=O)[O-])c1 ZINC001656474320 1196043295 /nfs/dbraw/zinc/04/32/95/1196043295.db2.gz ILSDDNAJZUJTJE-CABCVRRESA-N 1 0 323.462 3.351 20 5 DGBDRO Cc1ccc(C[NH2+]C2(C)CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC001657120853 1196107911 /nfs/dbraw/zinc/10/79/11/1196107911.db2.gz BHNCEGQUXJEVSW-UHFFFAOYSA-N 1 0 320.389 3.069 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2COc3cccc(C)c3C2)cc1[N+](=O)[O-] ZINC001657717107 1196172020 /nfs/dbraw/zinc/17/20/20/1196172020.db2.gz IXHJEAWRZZLKCU-OAHLLOKOSA-N 1 0 312.369 3.305 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001657925957 1196194107 /nfs/dbraw/zinc/19/41/07/1196194107.db2.gz JEIVQXIGWLJDOB-HDJSIYSDSA-N 1 0 320.389 3.113 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2nccnc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001658597280 1196278479 /nfs/dbraw/zinc/27/84/79/1196278479.db2.gz ZOEWTNNDMRTZNK-LBPRGKRZSA-N 1 0 308.341 3.389 20 5 DGBDRO C[C@H](O)C(C)(C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001658707527 1196290459 /nfs/dbraw/zinc/29/04/59/1196290459.db2.gz NOXGXGCYDPTTJF-LBPRGKRZSA-N 1 0 318.373 3.351 20 5 DGBDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001658719751 1196292047 /nfs/dbraw/zinc/29/20/47/1196292047.db2.gz ZQFLMJCMLJABAI-QGTPRVQTSA-N 1 0 318.417 3.384 20 5 DGBDRO CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC001658745374 1196294835 /nfs/dbraw/zinc/29/48/35/1196294835.db2.gz KEYPKQBOBKHQFS-OAHLLOKOSA-N 1 0 311.813 3.020 20 5 DGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001658757627 1196296731 /nfs/dbraw/zinc/29/67/31/1196296731.db2.gz XKSMJOCEPDTSST-ABFRBSLYSA-N 1 0 320.433 3.445 20 5 DGBDRO CCCC[C@H](CC)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001658894162 1196315857 /nfs/dbraw/zinc/31/58/57/1196315857.db2.gz UZUJDYBXPFFQIZ-HNNXBMFYSA-N 1 0 320.437 3.328 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC001659106408 1196345242 /nfs/dbraw/zinc/34/52/42/1196345242.db2.gz LDDYZKYGHFOCEF-HNNXBMFYSA-N 1 0 323.824 3.355 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001659456567 1196385621 /nfs/dbraw/zinc/38/56/21/1196385621.db2.gz MECUTEDWKZOCDY-ZIAGYGMSSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001659510369 1196390206 /nfs/dbraw/zinc/39/02/06/1196390206.db2.gz HZQUEMNXKVENQX-MFKMUULPSA-N 1 0 300.786 3.135 20 5 DGBDRO [NH3+]CCN(Cc1cccc2ccoc21)c1ccccc1[N+](=O)[O-] ZINC001659720063 1196408651 /nfs/dbraw/zinc/40/86/51/1196408651.db2.gz WSMMQJQTZBERRN-UHFFFAOYSA-N 1 0 311.341 3.306 20 5 DGBDRO CCCCC1([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001660557685 1196497023 /nfs/dbraw/zinc/49/70/23/1196497023.db2.gz VPPHNFWKIBVXDV-GFCCVEGCSA-N 1 0 305.378 3.234 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC001660796833 1196525905 /nfs/dbraw/zinc/52/59/05/1196525905.db2.gz WISCVESDZPZQFS-MZMPZRCHSA-N 1 0 318.417 3.463 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2OCc3ccccc32)c(F)c1 ZINC001660908203 1196541052 /nfs/dbraw/zinc/54/10/52/1196541052.db2.gz NDIVJYQUILEHKM-MRXNPFEDSA-N 1 0 302.305 3.095 20 5 DGBDRO CC[C@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC001663624383 1196915766 /nfs/dbraw/zinc/91/57/66/1196915766.db2.gz UFKVQNHOGBSOCN-LBPRGKRZSA-N 1 0 308.378 3.321 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@H]1CCC[NH2+]C1 ZINC000095027684 1198821387 /nfs/dbraw/zinc/82/13/87/1198821387.db2.gz QDVXYGNEDDGDGY-QMMMGPOBSA-N 1 0 305.161 3.280 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000255449027 1203844499 /nfs/dbraw/zinc/84/44/99/1203844499.db2.gz BOLWEYMMRHIGTO-BAUXQTRNSA-N 1 0 302.374 3.109 20 5 DGBDRO Cc1c(F)c(Br)ccc1O[C@H](C)C[N+](C)(C)C ZINC001228328983 1097098694 /nfs/dbraw/zinc/09/86/94/1097098694.db2.gz UEZOXZIEDQMSKZ-SECBINFHSA-N 1 0 305.211 3.370 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cnc(F)c([N+](=O)[O-])c1 ZINC001169690549 1081629912 /nfs/dbraw/zinc/62/99/12/1081629912.db2.gz MYGAZKRWGSIWPR-CYBMUJFWSA-N 1 0 316.336 3.369 20 5 DGBDRO O=[N+]([O-])c1cccc2c(NCC34CC[NH+](CC3)CC4)ccnc21 ZINC001169803324 1081653231 /nfs/dbraw/zinc/65/32/31/1081653231.db2.gz XCMNULDNOXPRFG-UHFFFAOYSA-N 1 0 312.373 3.041 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](C)C[NH+]1CCCCC1 ZINC001648882461 1081953561 /nfs/dbraw/zinc/95/35/61/1081953561.db2.gz OYUGSQWAXQIVOH-CQSZACIVSA-N 1 0 319.449 3.423 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC001170300291 1082338151 /nfs/dbraw/zinc/33/81/51/1082338151.db2.gz YZEREMCYEOIURO-ZDUSSCGKSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2F)c([N+](=O)[O-])c1 ZINC001170299278 1082338219 /nfs/dbraw/zinc/33/82/19/1082338219.db2.gz UORHJTYJSMWDPO-NILFDRSVSA-N 1 0 310.369 3.405 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170298351 1082338406 /nfs/dbraw/zinc/33/84/06/1082338406.db2.gz JPIKITIHXIWCBC-OUCADQQQSA-N 1 0 310.369 3.262 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170298352 1082338652 /nfs/dbraw/zinc/33/86/52/1082338652.db2.gz JPIKITIHXIWCBC-YRGRVCCFSA-N 1 0 310.369 3.262 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ncc(C)s2)c([N+](=O)[O-])c1 ZINC001170317475 1082344790 /nfs/dbraw/zinc/34/47/90/1082344790.db2.gz JDHPLDZTMOQLRQ-SNVBAGLBSA-N 1 0 321.402 3.089 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC001170328270 1082347292 /nfs/dbraw/zinc/34/72/92/1082347292.db2.gz IRJHBWWLGXBWTG-LLVKDONJSA-N 1 0 314.332 3.266 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170328050 1082347842 /nfs/dbraw/zinc/34/78/42/1082347842.db2.gz UHPZHUFFEMLHLM-CFVMTHIKSA-N 1 0 322.405 3.082 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC001170327481 1082347912 /nfs/dbraw/zinc/34/79/12/1082347912.db2.gz SCJDZIGMTPWYFT-RSUWNVLCSA-N 1 0 304.390 3.313 20 5 DGBDRO CCCO[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344358 1082355712 /nfs/dbraw/zinc/35/57/12/1082355712.db2.gz BBSJLFAUZDHMAQ-CZUORRHYSA-N 1 0 322.405 3.035 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001170447380 1082469121 /nfs/dbraw/zinc/46/91/21/1082469121.db2.gz DQLOIYRHMSAVLA-UHFFFAOYSA-N 1 0 322.409 3.062 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C[C@H]2F)c(Cl)cc1Cl ZINC001217944344 1082960260 /nfs/dbraw/zinc/96/02/60/1082960260.db2.gz HKVKFZYVBUBBDK-MWLCHTKSSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001218047309 1083019165 /nfs/dbraw/zinc/01/91/65/1083019165.db2.gz LAZKHUIXJJFSCG-JMCQJSRRSA-N 1 0 305.161 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1CCC12C[NH2+]C2 ZINC001218240944 1083088447 /nfs/dbraw/zinc/08/84/47/1083088447.db2.gz PQJLKLFKFPZTCE-NSHDSACASA-N 1 0 303.145 3.032 20 5 DGBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])c2ccccc21)C1CCCC1 ZINC001185306518 1084411618 /nfs/dbraw/zinc/41/16/18/1084411618.db2.gz QRHNXLVGTYDNNH-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[NH+]1C[C@@]2(C)CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001187215451 1084776392 /nfs/dbraw/zinc/77/63/92/1084776392.db2.gz HOSCWFYRIDXTDE-GJZGRUSLSA-N 1 0 309.797 3.026 20 5 DGBDRO CN(CCCC[NH+]1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC001187437322 1084802954 /nfs/dbraw/zinc/80/29/54/1084802954.db2.gz GCWCRYYUDOSUQJ-UHFFFAOYSA-N 1 0 309.385 3.436 20 5 DGBDRO COC[C@@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001648955747 1085904011 /nfs/dbraw/zinc/90/40/11/1085904011.db2.gz GEQDMVYTFYCXKL-LBPRGKRZSA-N 1 0 304.346 3.227 20 5 DGBDRO Cc1c(F)cc([N+](=O)[O-])cc1N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001168000638 1086095323 /nfs/dbraw/zinc/09/53/23/1086095323.db2.gz SBXROKLLFZNPSN-UHFFFAOYSA-N 1 0 306.272 3.213 20 5 DGBDRO CC(C)Oc1cc(COCC[N+](C)(C)C)cc(OC(C)C)c1 ZINC001224774357 1087446409 /nfs/dbraw/zinc/44/64/09/1087446409.db2.gz RCYCHKHYVKOHJU-UHFFFAOYSA-N 1 0 310.458 3.484 20 5 DGBDRO CCn1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC001120349351 1087571124 /nfs/dbraw/zinc/57/11/24/1087571124.db2.gz XSLHEWGLADDGDC-GFCCVEGCSA-N 1 0 302.378 3.279 20 5 DGBDRO C[N@H+](CCOC(C)(C)C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000689903512 1087644463 /nfs/dbraw/zinc/64/44/63/1087644463.db2.gz LMNPMFMXRZJRDE-UHFFFAOYSA-N 1 0 300.786 3.495 20 5 DGBDRO Cc1c(C[NH2+]CCSCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000698963782 1087714716 /nfs/dbraw/zinc/71/47/16/1087714716.db2.gz ZOBSBXRZTDAZSU-UHFFFAOYSA-N 1 0 308.325 3.288 20 5 DGBDRO Cc1ccc(Br)c(O[C@@H](C)C[N+](C)(C)C)c1F ZINC001234210982 1087773122 /nfs/dbraw/zinc/77/31/22/1087773122.db2.gz PWDUIRMXRBTMAW-JTQLQIEISA-N 1 0 305.211 3.370 20 5 DGBDRO C[C@H]([NH3+])c1ccn(-c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)n1 ZINC001158356485 1087787239 /nfs/dbraw/zinc/78/72/39/1087787239.db2.gz QOZQSDZMCRMKCD-QMMMGPOBSA-N 1 0 317.736 3.002 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC12CC[NH+](CC1)CC2 ZINC001158826903 1088054677 /nfs/dbraw/zinc/05/46/77/1088054677.db2.gz KYIOLOAPFUCPIG-UHFFFAOYSA-N 1 0 312.373 3.041 20 5 DGBDRO Cc1ccc(Nc2cc([C@@H]3CCCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC001159312915 1088285251 /nfs/dbraw/zinc/28/52/51/1088285251.db2.gz GKZLEFUVMDKGMH-LBPRGKRZSA-N 1 0 302.334 3.449 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)C2CCCCC2)c(F)c1 ZINC001168519673 1088521636 /nfs/dbraw/zinc/52/16/36/1088521636.db2.gz NSQDWTPXDLIWMH-MRXNPFEDSA-N 1 0 310.369 3.155 20 5 DGBDRO [NH3+][C@@H]1CCCN(c2ccccc2Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001159977636 1088584833 /nfs/dbraw/zinc/58/48/33/1088584833.db2.gz GDUXZNMSPXWCHV-CYBMUJFWSA-N 1 0 312.373 3.266 20 5 DGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc2c(c1)C[NH2+]CC2(C)C ZINC001160285465 1088742017 /nfs/dbraw/zinc/74/20/17/1088742017.db2.gz UTCISQAGZAQICL-UHFFFAOYSA-N 1 0 312.373 3.423 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001154989006 1088877623 /nfs/dbraw/zinc/87/76/23/1088877623.db2.gz IFOPPGIDAAZLDH-GHMZBOCLSA-N 1 0 320.780 3.478 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001155298335 1089053926 /nfs/dbraw/zinc/05/39/26/1089053926.db2.gz RAQHHTRMLYYDNW-CYBMUJFWSA-N 1 0 320.352 3.165 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001155299213 1089054821 /nfs/dbraw/zinc/05/48/21/1089054821.db2.gz NTTMSMZYKRWTHS-CQSZACIVSA-N 1 0 320.352 3.165 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[N@@H+](C2CCC2)C1 ZINC001161177045 1089141338 /nfs/dbraw/zinc/14/13/38/1089141338.db2.gz GMVRZGBKJPBZBJ-ZDUSSCGKSA-N 1 0 312.373 3.182 20 5 DGBDRO CC(C)(C)CN(c1ncc([N+](=O)[O-])cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161674968 1089339661 /nfs/dbraw/zinc/33/96/61/1089339661.db2.gz GKARNOBHMSEDSR-HAQNSBGRSA-N 1 0 324.400 3.251 20 5 DGBDRO C[NH+](C)CCCCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001161731172 1089376578 /nfs/dbraw/zinc/37/65/78/1089376578.db2.gz SUMMNGDIRZLLLL-UHFFFAOYSA-N 1 0 305.300 3.367 20 5 DGBDRO [NH3+]CCN(c1ccc([N+](=O)[O-])cn1)c1cccc2ccccc21 ZINC001161999334 1089516651 /nfs/dbraw/zinc/51/66/51/1089516651.db2.gz FFQYKGXNFARIOW-UHFFFAOYSA-N 1 0 308.341 3.240 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001156496189 1089549469 /nfs/dbraw/zinc/54/94/69/1089549469.db2.gz YDEWPWYQTQUPKE-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO O=[N+]([O-])c1ccnc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC001156522528 1089561176 /nfs/dbraw/zinc/56/11/76/1089561176.db2.gz BLMXUKSAWUYWRD-MRXNPFEDSA-N 1 0 312.373 3.239 20 5 DGBDRO CC(C)(C)[NH+]1CC(Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001162226452 1089617709 /nfs/dbraw/zinc/61/77/09/1089617709.db2.gz SOKBQRQWQBCRSK-UHFFFAOYSA-N 1 0 300.362 3.038 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])C1 ZINC001162390915 1089709360 /nfs/dbraw/zinc/70/93/60/1089709360.db2.gz JTUTYCQAAQFRMS-ZIAGYGMSSA-N 1 0 312.373 3.339 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001162396301 1089713830 /nfs/dbraw/zinc/71/38/30/1089713830.db2.gz IUPNAWNEHOOISN-ZJUUUORDSA-N 1 0 303.284 3.295 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001162454877 1089740320 /nfs/dbraw/zinc/74/03/20/1089740320.db2.gz AUGDXNDZDCVZFC-YPMHNXCESA-N 1 0 302.378 3.124 20 5 DGBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001162459169 1089743504 /nfs/dbraw/zinc/74/35/04/1089743504.db2.gz YBISVFDIBUJCOI-OLZOCXBDSA-N 1 0 307.394 3.041 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001162467952 1089748864 /nfs/dbraw/zinc/74/88/64/1089748864.db2.gz TYNYUHHFSGHMOL-QWHCGFSZSA-N 1 0 314.389 3.191 20 5 DGBDRO CC1(Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001157401654 1089947570 /nfs/dbraw/zinc/94/75/70/1089947570.db2.gz OPDDBJXZQNAPEA-UHFFFAOYSA-N 1 0 320.780 3.350 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001162847389 1089991486 /nfs/dbraw/zinc/99/14/86/1089991486.db2.gz OKRVPKQYWFOGTK-ZDUSSCGKSA-N 1 0 308.341 3.098 20 5 DGBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2cc([N+](=O)[O-])c3nccn3c2)c1 ZINC001162908365 1090017456 /nfs/dbraw/zinc/01/74/56/1090017456.db2.gz NNGJFGZDNISERK-NSHDSACASA-N 1 0 321.340 3.206 20 5 DGBDRO [NH3+]CC[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)c2ccccc21 ZINC001157743425 1090094745 /nfs/dbraw/zinc/09/47/45/1090094745.db2.gz GLZBXRQTHLBFCO-SNVBAGLBSA-N 1 0 318.764 3.227 20 5 DGBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001157743108 1090094759 /nfs/dbraw/zinc/09/47/59/1090094759.db2.gz HIFVQMNRZHWFAH-CABZTGNLSA-N 1 0 320.780 3.112 20 5 DGBDRO Cc1cc(N(C(C)C)C(C)(C)C[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001163186394 1090105779 /nfs/dbraw/zinc/10/57/79/1090105779.db2.gz CGTCCNVEMSNSAU-UHFFFAOYSA-N 1 0 316.405 3.404 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001157805062 1090114759 /nfs/dbraw/zinc/11/47/59/1090114759.db2.gz YDRXCGOKQGQXSS-HOTGVXAUSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1cc2cc[nH]c2c(N[C@@H]2C[NH2+]Cc3ccsc32)c1 ZINC001163227147 1090124784 /nfs/dbraw/zinc/12/47/84/1090124784.db2.gz QFTVDAXHSQFKEO-CYBMUJFWSA-N 1 0 314.370 3.394 20 5 DGBDRO Cc1cc(Cl)nc(N[C@H](C[NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC001163294347 1090141050 /nfs/dbraw/zinc/14/10/50/1090141050.db2.gz NXTKPWRBMQMOAT-LLVKDONJSA-N 1 0 306.753 3.064 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC001163358624 1090162164 /nfs/dbraw/zinc/16/21/64/1090162164.db2.gz WHFBFYXVJKCGMH-ZWNOBZJWSA-N 1 0 312.801 3.174 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc(Cl)cc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC001163360854 1090162433 /nfs/dbraw/zinc/16/24/33/1090162433.db2.gz GGINQBNTAJPDOO-CMPLNLGQSA-N 1 0 312.801 3.174 20 5 DGBDRO CCN(c1ccc2ccc3cccnc3c2n1)[C@@H]1CCC[NH2+]C1 ZINC001158200539 1090200245 /nfs/dbraw/zinc/20/02/45/1090200245.db2.gz MUDKHSCJFUTGPB-MRXNPFEDSA-N 1 0 306.413 3.361 20 5 DGBDRO CCN(c1ccc2ccc3cccnc3c2n1)[C@H]1CCC[NH2+]C1 ZINC001158200537 1090200502 /nfs/dbraw/zinc/20/05/02/1090200502.db2.gz MUDKHSCJFUTGPB-INIZCTEOSA-N 1 0 306.413 3.361 20 5 DGBDRO CN(CC[NH+](C)C)c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001163589702 1090215287 /nfs/dbraw/zinc/21/52/87/1090215287.db2.gz DAMWGEVARUBUJE-UHFFFAOYSA-N 1 0 314.820 3.434 20 5 DGBDRO [NH3+][C@@H]1CCN(c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001164281674 1090393202 /nfs/dbraw/zinc/39/32/02/1090393202.db2.gz KBMUFALIPUPGGB-GFCCVEGCSA-N 1 0 315.398 3.283 20 5 DGBDRO C[NH+](C)C[C@H]1CCCN1c1ccc2ccc3cccnc3c2n1 ZINC001165072069 1090460214 /nfs/dbraw/zinc/46/02/14/1090460214.db2.gz KFJAKNOCXWVVNX-MRXNPFEDSA-N 1 0 306.413 3.313 20 5 DGBDRO CC(C)(C)[NH+]1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001165091462 1090463917 /nfs/dbraw/zinc/46/39/17/1090463917.db2.gz QDXBVSDHHOQDIK-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO CC(C)[N@@H+]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C[C@H]1C ZINC001165198785 1090477399 /nfs/dbraw/zinc/47/73/99/1090477399.db2.gz AKHJWXXRTVZUTG-CYBMUJFWSA-N 1 0 314.389 3.062 20 5 DGBDRO CC(C)[N@@H+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@H]1C ZINC001165199502 1090477524 /nfs/dbraw/zinc/47/75/24/1090477524.db2.gz YOABKIORQCUOTI-CYBMUJFWSA-N 1 0 314.389 3.062 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2ncc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001165260189 1090491643 /nfs/dbraw/zinc/49/16/43/1090491643.db2.gz FNJLTZXNBWDLQO-CYBMUJFWSA-N 1 0 320.437 3.431 20 5 DGBDRO CCOc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001168602726 1090599854 /nfs/dbraw/zinc/59/98/54/1090599854.db2.gz XGHLLHXYTKUKBC-KBPBESRZSA-N 1 0 307.394 3.278 20 5 DGBDRO CCN1CC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001203470184 1090739720 /nfs/dbraw/zinc/73/97/20/1090739720.db2.gz CSJNUNOPDAJVMD-ZDUSSCGKSA-N 1 0 315.373 3.039 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](COC)C(C)C ZINC001203809363 1090810699 /nfs/dbraw/zinc/81/06/99/1090810699.db2.gz FZCKFOYXUYXPDM-CQSZACIVSA-N 1 0 310.394 3.002 20 5 DGBDRO CC1=CCC[C@@H](C)[C@H]1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001205668055 1091304386 /nfs/dbraw/zinc/30/43/86/1091304386.db2.gz TZMYMMXUJBMMTG-PBHICJAKSA-N 1 0 303.406 3.352 20 5 DGBDRO Cc1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1F ZINC001205708820 1091318965 /nfs/dbraw/zinc/31/89/65/1091318965.db2.gz KMLYXUOBPPWFFN-UHFFFAOYSA-N 1 0 303.337 3.008 20 5 DGBDRO C[C@H]1CCC[C@@H](C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001206195266 1091530366 /nfs/dbraw/zinc/53/03/66/1091530366.db2.gz QNUDMFAPMWFCEE-UONOGXRCSA-N 1 0 304.390 3.484 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCN2C2CCCCC2)cc1 ZINC001206691077 1091703926 /nfs/dbraw/zinc/70/39/26/1091703926.db2.gz BVPLFXZLEDHRMZ-SFHVURJKSA-N 1 0 317.433 3.134 20 5 DGBDRO CCOc1cc(N(C)CC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001307227688 1091831154 /nfs/dbraw/zinc/83/11/54/1091831154.db2.gz KRXKSGROMCDUHL-UHFFFAOYSA-N 1 0 309.410 3.018 20 5 DGBDRO CC(=O)NC1C[NH+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141728299 1092323490 /nfs/dbraw/zinc/32/34/90/1092323490.db2.gz PJVCWXGPOAKALD-UHFFFAOYSA-N 1 0 304.393 3.313 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)C1 ZINC001168976572 1092456688 /nfs/dbraw/zinc/45/66/88/1092456688.db2.gz DQWGRONHXUVQCL-BDXSIMOUSA-N 1 0 318.417 3.159 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2F)C1 ZINC001168978308 1092458740 /nfs/dbraw/zinc/45/87/40/1092458740.db2.gz RAEXGEOIWOXLPU-WPRPVWTQSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2F)C1 ZINC001168978307 1092458757 /nfs/dbraw/zinc/45/87/57/1092458757.db2.gz RAEXGEOIWOXLPU-WCBMZHEXSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC001168958759 1092462513 /nfs/dbraw/zinc/46/25/13/1092462513.db2.gz PEYLHNUUXWVCBD-ZYHUDNBSSA-N 1 0 318.295 3.120 20 5 DGBDRO Cc1c(C)n([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccc(C[NH3+])cc12 ZINC001168967090 1092468017 /nfs/dbraw/zinc/46/80/17/1092468017.db2.gz NEZYMBGUQBIYGF-LSDHHAIUSA-N 1 0 301.390 3.335 20 5 DGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965735 1092468450 /nfs/dbraw/zinc/46/84/50/1092468450.db2.gz CJZWZTVWTFGDFN-MFKMUULPSA-N 1 0 307.781 3.371 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCSc2ccc(Cl)cc2)C1 ZINC001168967747 1092470628 /nfs/dbraw/zinc/47/06/28/1092470628.db2.gz SWZKWSJJFXAVHR-WCQYABFASA-N 1 0 314.838 3.467 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C1 ZINC001168996945 1092478307 /nfs/dbraw/zinc/47/83/07/1092478307.db2.gz WXCFSHDHICEOAZ-ZBFHGGJFSA-N 1 0 306.381 3.183 20 5 DGBDRO Cc1ccccc1CC1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997094 1092478816 /nfs/dbraw/zinc/47/88/16/1092478816.db2.gz XNWLQTIIBBODPQ-WBVHZDCISA-N 1 0 302.418 3.353 20 5 DGBDRO COc1ccc(CC(C)(C)C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169000678 1092480982 /nfs/dbraw/zinc/48/09/82/1092480982.db2.gz YRPUUMWCXULHQI-HZPDHXFCSA-N 1 0 320.433 3.299 20 5 DGBDRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169003062 1092482926 /nfs/dbraw/zinc/48/29/26/1092482926.db2.gz MSJAAWIEOWWYKU-HACGYAERSA-N 1 0 304.390 3.108 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001169006239 1092485438 /nfs/dbraw/zinc/48/54/38/1092485438.db2.gz GJAKCXYEPQXBAW-ZWKOTPCHSA-N 1 0 302.418 3.387 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCOc3ccc(Cl)cc32)C1 ZINC001169007989 1092485774 /nfs/dbraw/zinc/48/57/74/1092485774.db2.gz QIZFVUAGBJFODE-QKCSRTOESA-N 1 0 310.781 3.199 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CCc4ccccc43)CC2)C1 ZINC001169011882 1092487803 /nfs/dbraw/zinc/48/78/03/1092487803.db2.gz NDRPAJDFLTUJGU-WBVHZDCISA-N 1 0 314.429 3.412 20 5 DGBDRO [NH3+][C@@H]1CCc2c3ccccc3n([C@H]3CC[C@@H](C[N+](=O)[O-])C3)c2C1 ZINC001168988213 1092492512 /nfs/dbraw/zinc/49/25/12/1092492512.db2.gz PBTTXKFUOQPVDS-MCIONIFRSA-N 1 0 313.401 3.075 20 5 DGBDRO COc1ccccc1C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036776 1092498558 /nfs/dbraw/zinc/49/85/58/1092498558.db2.gz PYOAVAJSCNDNKN-GOEBONIOSA-N 1 0 318.417 3.320 20 5 DGBDRO COc1ccccc1C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036784 1092499182 /nfs/dbraw/zinc/49/91/82/1092499182.db2.gz PYOAVAJSCNDNKN-ZBFHGGJFSA-N 1 0 318.417 3.320 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Oc3cccc(F)c3)CC2)C1 ZINC001169021814 1092503211 /nfs/dbraw/zinc/50/32/11/1092503211.db2.gz ADABUTSSMPMUJW-DZGCQCFKSA-N 1 0 322.380 3.114 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001169056916 1092513748 /nfs/dbraw/zinc/51/37/48/1092513748.db2.gz UEICZSJAUCZXBS-HYVNUMGLSA-N 1 0 306.381 3.278 20 5 DGBDRO Cc1cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001169147593 1092563759 /nfs/dbraw/zinc/56/37/59/1092563759.db2.gz UCMHETOWPLBPDX-MLGOLLRUSA-N 1 0 306.410 3.254 20 5 DGBDRO Cc1cc(Cl)c(-n2ncc3c2cccc3C[NH3+])c([N+](=O)[O-])c1 ZINC001169195879 1092583090 /nfs/dbraw/zinc/58/30/90/1092583090.db2.gz TUPCGSDLHPLEJL-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO C[NH+]1CCC(C(=O)Nc2cc3cccnc3c3ncccc23)CC1 ZINC001143312841 1092653911 /nfs/dbraw/zinc/65/39/11/1092653911.db2.gz BZMKPPYXCXCRRE-UHFFFAOYSA-N 1 0 320.396 3.063 20 5 DGBDRO COc1ncc(Nc2cc(C)[nH+]c3ccccc23)cc1[N+](=O)[O-] ZINC001210134033 1093054047 /nfs/dbraw/zinc/05/40/47/1093054047.db2.gz DCBISLAPAIOBMU-UHFFFAOYSA-N 1 0 310.313 3.021 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2CCC[NH2+]C[C@H]2F)c2ccccc21 ZINC001217762088 1094491641 /nfs/dbraw/zinc/49/16/41/1094491641.db2.gz COPHNKISDIKXKF-NVXWUHKLSA-N 1 0 318.348 3.355 20 5 DGBDRO O=[N+]([O-])c1ccccc1[C@H](OC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC001217928034 1094519789 /nfs/dbraw/zinc/51/97/89/1094519789.db2.gz FIOVLEBPLFRHBA-CRAIPNDOSA-N 1 0 312.369 3.453 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217944337 1094523642 /nfs/dbraw/zinc/52/36/42/1094523642.db2.gz HKRFMPPBKUKEID-ONGXEEELSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C[C@@H]2F)c(C(F)(F)F)c1 ZINC001217944271 1094523815 /nfs/dbraw/zinc/52/38/15/1094523815.db2.gz GWTUSBXRLULOIG-CMPLNLGQSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CCCC[NH2+]C2)cc1Cl ZINC001217971551 1094535451 /nfs/dbraw/zinc/53/54/51/1094535451.db2.gz VNFLGUCVKNDUDW-MRVPVSSYSA-N 1 0 305.161 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1CCCC[NH2+]C1 ZINC001217972326 1094535967 /nfs/dbraw/zinc/53/59/67/1094535967.db2.gz CHWINPSWUPIUJH-VIFPVBQESA-N 1 0 305.161 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC[C@H]2F)ccc1C(F)(F)F ZINC001217974186 1094537263 /nfs/dbraw/zinc/53/72/63/1094537263.db2.gz CWNSUIMTRUJJCW-ZYHUDNBSSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@H]2F)c(C(F)(F)F)c1 ZINC001217974316 1094537401 /nfs/dbraw/zinc/53/74/01/1094537401.db2.gz FGCTUDZFRMUPFC-ZYHUDNBSSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)cc(C(F)(F)F)c1 ZINC001217980824 1094540748 /nfs/dbraw/zinc/54/07/48/1094540748.db2.gz MVTNYAAVXXDVMG-NWDGAFQWSA-N 1 0 322.258 3.083 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001217985205 1094543764 /nfs/dbraw/zinc/54/37/64/1094543764.db2.gz IEWGZHRRMJQEKI-TVQRCGJNSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001217985521 1094543847 /nfs/dbraw/zinc/54/38/47/1094543847.db2.gz GKLICRPRUBPBJZ-QPUJVOFHSA-N 1 0 302.733 3.154 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]CC2)ccc1C(F)(F)F ZINC001217994601 1094548934 /nfs/dbraw/zinc/54/89/34/1094548934.db2.gz HUCSVDLXWZYWPG-VIFPVBQESA-N 1 0 304.268 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001217996169 1094550039 /nfs/dbraw/zinc/55/00/39/1094550039.db2.gz QSALYYKZSGHDOR-SNVBAGLBSA-N 1 0 304.268 3.135 20 5 DGBDRO C[C@H](Oc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001218002657 1094551796 /nfs/dbraw/zinc/55/17/96/1094551796.db2.gz RMDAZHTWOPWIFY-VIFPVBQESA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001218026547 1094565827 /nfs/dbraw/zinc/56/58/27/1094565827.db2.gz ITILMHOBHHCGBU-NOZJJQNGSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001218025168 1094566055 /nfs/dbraw/zinc/56/60/55/1094566055.db2.gz REZDLHBLTQIHDV-JOYOIKCWSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001218025095 1094566516 /nfs/dbraw/zinc/56/65/16/1094566516.db2.gz CWRWSLMJDHSSFZ-JOYOIKCWSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001218026549 1094566544 /nfs/dbraw/zinc/56/65/44/1094566544.db2.gz ITILMHOBHHCGBU-TVQRCGJNSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001218044978 1094576180 /nfs/dbraw/zinc/57/61/80/1094576180.db2.gz WPAZSTGBAMQMAV-GMSGAONNSA-N 1 0 305.161 3.278 20 5 DGBDRO C[C@@H]1C[C@@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)CC[NH2+]1 ZINC001218050365 1094577212 /nfs/dbraw/zinc/57/72/12/1094577212.db2.gz QVGRUTOZHUVZEL-OCCSQVGLSA-N 1 0 309.365 3.466 20 5 DGBDRO C[C@@H]1C[C@@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218055026 1094579081 /nfs/dbraw/zinc/57/90/81/1094579081.db2.gz GWGGEKUHXOCJNN-SFYZADRCSA-N 1 0 305.161 3.421 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(OC3CC4(C[NH2+]C4)C3)cc2)cc1 ZINC001218055205 1094579171 /nfs/dbraw/zinc/57/91/71/1094579171.db2.gz WPSVVTQXTGTUSW-UHFFFAOYSA-N 1 0 310.353 3.393 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(OC3CC4(C[NH2+]C4)C3)cc2)c1 ZINC001218055231 1094579391 /nfs/dbraw/zinc/57/93/91/1094579391.db2.gz BQOZXBJKZXHWAA-UHFFFAOYSA-N 1 0 310.353 3.393 20 5 DGBDRO C[C@H]1C[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)CC[NH2+]1 ZINC001218063383 1094581490 /nfs/dbraw/zinc/58/14/90/1094581490.db2.gz YVVVYALNRTVFEW-JGVFFNPUSA-N 1 0 305.161 3.421 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3CC[NH2+]C[C@@H]3F)cc2)c1 ZINC001218068658 1094586177 /nfs/dbraw/zinc/58/61/77/1094586177.db2.gz FNXIQHADAAOAPO-DLBZAZTESA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218098752 1094603521 /nfs/dbraw/zinc/60/35/21/1094603521.db2.gz QZKVIDSAMAATPH-NVXWUHKLSA-N 1 0 313.357 3.054 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2 ZINC001218112027 1094610445 /nfs/dbraw/zinc/61/04/45/1094610445.db2.gz ITLWBXCLOVEZOS-IIDMSEBBSA-N 1 0 310.353 3.391 20 5 DGBDRO c1ccc2c(c1)nc(O[C@H]1CC[C@@H]3[NH2+]CCO[C@@H]31)c1ccccc21 ZINC001218116457 1094615569 /nfs/dbraw/zinc/61/55/69/1094615569.db2.gz OCCNNNAAJKQBSE-FHWLQOOXSA-N 1 0 320.392 3.286 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2C[C@H]3C[C@@H]2C[NH2+]3)cc1 ZINC001218142323 1094628361 /nfs/dbraw/zinc/62/83/61/1094628361.db2.gz AFUXZYDCMPKWHO-LBTNJELSSA-N 1 0 310.353 3.391 20 5 DGBDRO c1ccc2nc3cc(O[C@@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)ccc3nc2c1 ZINC001218186096 1094648171 /nfs/dbraw/zinc/64/81/71/1094648171.db2.gz LRFRRFTYMTUSJD-AGGWBTHJSA-N 1 0 305.381 3.445 20 5 DGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC001218186623 1094648397 /nfs/dbraw/zinc/64/83/97/1094648397.db2.gz FLLGRBMEICVFCL-KYZUINATSA-N 1 0 302.733 3.297 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(OC3CCC4(C[NH2+]C4)CC3)nc21 ZINC001218264301 1094686048 /nfs/dbraw/zinc/68/60/48/1094686048.db2.gz UKFCLGFYPNRAED-UHFFFAOYSA-N 1 0 313.357 3.054 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218308237 1094705716 /nfs/dbraw/zinc/70/57/16/1094705716.db2.gz WWTZCMPIJOCHRH-VIFPVBQESA-N 1 0 314.744 3.441 20 5 DGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001218314491 1094710609 /nfs/dbraw/zinc/71/06/09/1094710609.db2.gz SBUVNVCOLSWNLB-LBPRGKRZSA-N 1 0 302.733 3.154 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001218326902 1094718781 /nfs/dbraw/zinc/71/87/81/1094718781.db2.gz QKZWTOWHHBNXFZ-RLFYNMQTSA-N 1 0 310.353 3.249 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1C[C@H]2C[NH2+]C[C@H]21 ZINC001218326898 1094719412 /nfs/dbraw/zinc/71/94/12/1094719412.db2.gz QKZWTOWHHBNXFZ-HDMKZQKVSA-N 1 0 310.353 3.249 20 5 DGBDRO C[C@@H]1CC[C@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218399060 1094750092 /nfs/dbraw/zinc/75/00/92/1094750092.db2.gz NOKNGLXNMGLNKO-SCZZXKLOSA-N 1 0 320.267 3.013 20 5 DGBDRO C[C@H]1CC[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218397927 1094750405 /nfs/dbraw/zinc/75/04/05/1094750405.db2.gz JHNIRNHFKGGTBT-WCBMZHEXSA-N 1 0 304.268 3.133 20 5 DGBDRO c1ccc2nc3cc(O[C@H]4C[NH2+]CCC45CC5)ccc3nc2c1 ZINC001218407145 1094757645 /nfs/dbraw/zinc/75/76/45/1094757645.db2.gz YBRJLSDXJPZWJA-SFHVURJKSA-N 1 0 305.381 3.304 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3[C@@H]4CC[C@H]3[NH2+]C4)cc2)cc1 ZINC001218440803 1094775944 /nfs/dbraw/zinc/77/59/44/1094775944.db2.gz ACFXSTKVQYRHET-ZTFGCOKTSA-N 1 0 310.353 3.391 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc2c(c1)oc1ccccc1c2=O ZINC001218481346 1094805235 /nfs/dbraw/zinc/80/52/35/1094805235.db2.gz PBEDZPGWWYLFHT-XIKOKIGWSA-N 1 0 309.365 3.323 20 5 DGBDRO Cc1cc2[nH]c(O[C@H]3C[NH2+]Cc4ccccc43)nc2cc1[N+](=O)[O-] ZINC001218487248 1094813431 /nfs/dbraw/zinc/81/34/31/1094813431.db2.gz NRIVNNPUTPUQOZ-INIZCTEOSA-N 1 0 324.340 3.003 20 5 DGBDRO O=[N+]([O-])c1cccc2cc(O[C@@H]3C[NH2+]Cc4ccccc43)cnc21 ZINC001218488238 1094814829 /nfs/dbraw/zinc/81/48/29/1094814829.db2.gz KEXJBDONIHDVIO-QGZVFWFLSA-N 1 0 321.336 3.366 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3C[C@H]4C[NH2+][C@@H]3C4)cc2)c1 ZINC001218491190 1094817604 /nfs/dbraw/zinc/81/76/04/1094817604.db2.gz IHZMNEXEMIEKCC-JBBXEZCESA-N 1 0 310.353 3.391 20 5 DGBDRO C[C@H](NC(=O)[C@H]1CCCCCC[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001122252207 1094935128 /nfs/dbraw/zinc/93/51/28/1094935128.db2.gz MSQVVBGGGNVJEH-VBNZEHGJSA-N 1 0 319.405 3.070 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293146 1095507546 /nfs/dbraw/zinc/50/75/46/1095507546.db2.gz KMRXMAAHABXJKH-HUUCEWRRSA-N 1 0 305.422 3.286 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc([N+](=O)[O-])cn3)c2c1 ZINC001171165351 1095618050 /nfs/dbraw/zinc/61/80/50/1095618050.db2.gz MXALWUJLLZKHKR-LBPRGKRZSA-N 1 0 310.357 3.132 20 5 DGBDRO O=[N+]([O-])c1ccccc1CO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001222760984 1095744095 /nfs/dbraw/zinc/74/40/95/1095744095.db2.gz ACZCQQAMEPCJSV-QGZVFWFLSA-N 1 0 312.369 3.386 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001117702785 1095807661 /nfs/dbraw/zinc/80/76/61/1095807661.db2.gz MZTPCHXCVIMNAB-UHFFFAOYSA-N 1 0 324.340 3.366 20 5 DGBDRO C[C@@H](O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC001223427107 1095966387 /nfs/dbraw/zinc/96/63/87/1095966387.db2.gz GVIOVDCWGLRWSY-JJAZEVLHSA-N 1 0 304.390 3.403 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c(F)c1 ZINC001118628474 1096050195 /nfs/dbraw/zinc/05/01/95/1096050195.db2.gz MAGKIBWBFZWEFA-ADEWGFFLSA-N 1 0 300.280 3.257 20 5 DGBDRO C[C@H](NC(=O)[C@@H]([NH3+])C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001340992825 1096087482 /nfs/dbraw/zinc/08/74/82/1096087482.db2.gz YBKOEMORNPAWSJ-LRDDRELGSA-N 1 0 319.405 3.070 20 5 DGBDRO Cc1ccnc(-c2cc(CO[C@@H](C)C[N+](C)(C)C)ccn2)c1 ZINC001223984535 1096109829 /nfs/dbraw/zinc/10/98/29/1096109829.db2.gz XSIWHOFTNQOWKM-HNNXBMFYSA-N 1 0 300.426 3.063 20 5 DGBDRO COCCC[NH+]1CCC(O[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001224022395 1096117723 /nfs/dbraw/zinc/11/77/23/1096117723.db2.gz PLKYDNRMRCHSKE-CQSZACIVSA-N 1 0 322.405 3.173 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@H]2C[NH+]3CCC2CC3)c2ccccc21 ZINC001224205044 1096162932 /nfs/dbraw/zinc/16/29/32/1096162932.db2.gz XSNZTSVLOKOWNK-SFHVURJKSA-N 1 0 312.369 3.359 20 5 DGBDRO Cc1ccc(C[NH+]2CC(CC3CCOCC3)C2)cc1[N+](=O)[O-] ZINC001119517406 1096219520 /nfs/dbraw/zinc/21/95/20/1096219520.db2.gz STXDKDLGQJUSLY-UHFFFAOYSA-N 1 0 304.390 3.152 20 5 DGBDRO C[N+](C)(C)CCCO[C@H]1Cc2cccc(Br)c2C1 ZINC001224623013 1096248518 /nfs/dbraw/zinc/24/85/18/1096248518.db2.gz JXKUUPTXHNLUFX-ZDUSSCGKSA-N 1 0 313.259 3.029 20 5 DGBDRO CCCC[NH+](CCCC)CCCO[C@H](C[N+](=O)[O-])C1CC1 ZINC001224755323 1096279424 /nfs/dbraw/zinc/27/94/24/1096279424.db2.gz MMBOEKJPOSODOP-MRXNPFEDSA-N 1 0 300.443 3.351 20 5 DGBDRO C[N+](C)(C)CCO[C@@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001224772869 1096282764 /nfs/dbraw/zinc/28/27/64/1096282764.db2.gz CSNBULUSLJRRMJ-SFHVURJKSA-N 1 0 315.393 3.407 20 5 DGBDRO COc1cc(OC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001225441583 1096433405 /nfs/dbraw/zinc/43/34/05/1096433405.db2.gz SSOUTYVXTNJVHH-UHFFFAOYSA-N 1 0 308.378 3.245 20 5 DGBDRO C[C@@H](Oc1ccc(CC(=[NH2+])NO)cc1)c1ccccc1[N+](=O)[O-] ZINC001225547540 1096465106 /nfs/dbraw/zinc/46/51/06/1096465106.db2.gz YVFSGLSVDAJOSE-LLVKDONJSA-N 1 0 315.329 3.233 20 5 DGBDRO C[NH+](C)CC[C@@H](Oc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC001225593218 1096476423 /nfs/dbraw/zinc/47/64/23/1096476423.db2.gz LSACMGNERXXKCP-OAHLLOKOSA-N 1 0 301.346 3.062 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001225599743 1096478412 /nfs/dbraw/zinc/47/84/12/1096478412.db2.gz CHCXBVVQTUHNKP-HAQNSBGRSA-N 1 0 323.349 3.063 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001225599744 1096478528 /nfs/dbraw/zinc/47/85/28/1096478528.db2.gz CHCXBVVQTUHNKP-UHFFFAOYSA-N 1 0 323.349 3.063 20 5 DGBDRO Cc1cc(OC2CC(C)(C)[NH+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC001225662496 1096497996 /nfs/dbraw/zinc/49/79/96/1096497996.db2.gz OARMMNXWUUUNCN-UHFFFAOYSA-N 1 0 307.394 3.328 20 5 DGBDRO O=[N+]([O-])c1cccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC001225794148 1096531101 /nfs/dbraw/zinc/53/11/01/1096531101.db2.gz JBUOQDMXFHFQHU-AWEZNQCLSA-N 1 0 316.332 3.387 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001225897817 1096557529 /nfs/dbraw/zinc/55/75/29/1096557529.db2.gz NWZXXTCKJXBPIV-VIFPVBQESA-N 1 0 321.299 3.118 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001225953798 1096572463 /nfs/dbraw/zinc/57/24/63/1096572463.db2.gz PCXASUJTGLYIMP-ZDUSSCGKSA-N 1 0 316.279 3.087 20 5 DGBDRO Cc1ccnc(O[C@@H](CC[NH+](C)C)c2ccccc2)c1[N+](=O)[O-] ZINC001226120085 1096617759 /nfs/dbraw/zinc/61/77/59/1096617759.db2.gz RVKIKNWEGKUWKM-HNNXBMFYSA-N 1 0 315.373 3.370 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226181646 1096630890 /nfs/dbraw/zinc/63/08/90/1096630890.db2.gz SODPQRUEWMBQPN-SNVBAGLBSA-N 1 0 300.305 3.125 20 5 DGBDRO Nc1cc(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc[nH+]1 ZINC001226653923 1096743498 /nfs/dbraw/zinc/74/34/98/1096743498.db2.gz SXVMRYWVGJDBLH-LBPRGKRZSA-N 1 0 313.235 3.254 20 5 DGBDRO Cc1cnc(O[C@@H](CC[NH+](C)C)c2cccs2)c([N+](=O)[O-])c1 ZINC001227234638 1096901514 /nfs/dbraw/zinc/90/15/14/1096901514.db2.gz IFFKVNHCXIHSEV-ZDUSSCGKSA-N 1 0 321.402 3.432 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1nc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001227244338 1096904211 /nfs/dbraw/zinc/90/42/11/1096904211.db2.gz YJFOEEDWAHQVPQ-SECBINFHSA-N 1 0 321.299 3.118 20 5 DGBDRO COC(=O)c1cc(Cl)c(O[C@H](C)C[N+](C)(C)C)c(Cl)c1 ZINC001227832263 1096997539 /nfs/dbraw/zinc/99/75/39/1096997539.db2.gz NPXAAWMQPZUFFH-SECBINFHSA-N 1 0 321.224 3.254 20 5 DGBDRO CC(=O)c1cc(C(F)(F)F)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001227909804 1097010382 /nfs/dbraw/zinc/01/03/82/1097010382.db2.gz NEGNNHMIRVAXBS-JTQLQIEISA-N 1 0 304.332 3.382 20 5 DGBDRO C[NH+]1CCC(Oc2ccc3c(c2)oc2ccccc2c3=O)CC1 ZINC001228179952 1097068972 /nfs/dbraw/zinc/06/89/72/1097068972.db2.gz MACLTDDTYCBCFY-UHFFFAOYSA-N 1 0 309.365 3.419 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228209329 1097074319 /nfs/dbraw/zinc/07/43/19/1097074319.db2.gz NSUZEBZXXQLVDY-LLVKDONJSA-N 1 0 307.375 3.066 20 5 DGBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1OC1CCC([NH+](C)C)CC1 ZINC001228449640 1097122833 /nfs/dbraw/zinc/12/28/33/1097122833.db2.gz BQCOOZDVLWQAOC-UHFFFAOYSA-N 1 0 320.389 3.357 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2c(Br)cccc21 ZINC001228594457 1097149526 /nfs/dbraw/zinc/14/95/26/1097149526.db2.gz UDHJZKKSWBVERV-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001228758616 1097184343 /nfs/dbraw/zinc/18/43/43/1097184343.db2.gz GXZDRIOVILCGJJ-QHBPRCKVSA-N 1 0 310.781 3.357 20 5 DGBDRO COC(=O)c1cc2sccc2c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001228794523 1097192261 /nfs/dbraw/zinc/19/22/61/1097192261.db2.gz CGJYOOOFVNNDSA-LLVKDONJSA-N 1 0 308.423 3.161 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@H]1C[NH+]2CCC1CC2 ZINC001228929750 1097219101 /nfs/dbraw/zinc/21/91/01/1097219101.db2.gz GTVLYLVOZCPYTP-LBPRGKRZSA-N 1 0 316.279 3.087 20 5 DGBDRO CC[NH+]1CCC(Oc2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC001228930675 1097220209 /nfs/dbraw/zinc/22/02/09/1097220209.db2.gz ODEKUDSOLXTANT-UHFFFAOYSA-N 1 0 318.295 3.477 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2ccc(C(F)(F)F)cc21 ZINC001229012379 1097237063 /nfs/dbraw/zinc/23/70/63/1097237063.db2.gz VZWKLYOOQLEQTI-SNVBAGLBSA-N 1 0 314.331 3.122 20 5 DGBDRO Cc1ccncc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899033 1097267644 /nfs/dbraw/zinc/26/76/44/1097267644.db2.gz KYQVAACXPVBAON-QGZVFWFLSA-N 1 0 311.385 3.335 20 5 DGBDRO CCC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCOCC1 ZINC001172900441 1097268077 /nfs/dbraw/zinc/26/80/77/1097268077.db2.gz DTCUUDPUEFKFAO-INIZCTEOSA-N 1 0 318.417 3.391 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172902424 1097268560 /nfs/dbraw/zinc/26/85/60/1097268560.db2.gz YHQQZPBQSCFCHX-CVEARBPZSA-N 1 0 318.417 3.389 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@@]13CCCOC3)CC2 ZINC001172905984 1097269042 /nfs/dbraw/zinc/26/90/42/1097269042.db2.gz LSOGEVJDYMDDQC-BPQIPLTHSA-N 1 0 316.401 3.001 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1OC1CC[NH+](C2CC2)CC1 ZINC001229180708 1097272713 /nfs/dbraw/zinc/27/27/13/1097272713.db2.gz XHWMJIMVDKCGJS-UHFFFAOYSA-N 1 0 318.373 3.193 20 5 DGBDRO Cc1cncc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172896703 1097278544 /nfs/dbraw/zinc/27/85/44/1097278544.db2.gz RIKQXGJCUPJXIO-QGZVFWFLSA-N 1 0 311.385 3.335 20 5 DGBDRO C[N@H+](C[C@H]1CCCCO1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914142 1097279059 /nfs/dbraw/zinc/27/90/59/1097279059.db2.gz CZGYDBZMOKUIHY-FUHWJXTLSA-N 1 0 318.417 3.343 20 5 DGBDRO CC[NH+]1CCC(Oc2cc([N+](=O)[O-])cc3cccnc32)CC1 ZINC001229344166 1097301935 /nfs/dbraw/zinc/30/19/35/1097301935.db2.gz RBOVCAXXUBRWEM-UHFFFAOYSA-N 1 0 301.346 3.006 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC3(CC3)C2)c1F ZINC001173181895 1097356645 /nfs/dbraw/zinc/35/66/45/1097356645.db2.gz QEVBWPFJCBOTDP-LLVKDONJSA-N 1 0 308.353 3.159 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CC23CCC3)c1F ZINC001173182244 1097357184 /nfs/dbraw/zinc/35/71/84/1097357184.db2.gz RBELFAXDDDZWKT-IINYFYTJSA-N 1 0 308.353 3.206 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C2CC(C)C2)c1F ZINC001173181371 1097357190 /nfs/dbraw/zinc/35/71/90/1097357190.db2.gz PEWVGQSUPGMHIP-CXQJBGSLSA-N 1 0 310.369 3.404 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(C2CC2)C2CC2)c1F ZINC001173187391 1097357613 /nfs/dbraw/zinc/35/76/13/1097357613.db2.gz FDBASYDUVDTDKX-SNVBAGLBSA-N 1 0 322.380 3.452 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CC(C)(C)C2)c1F ZINC001173194464 1097359020 /nfs/dbraw/zinc/35/90/20/1097359020.db2.gz ZRFDFOLCAGPLTR-JTQLQIEISA-N 1 0 310.369 3.452 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nc2ccccc2o1 ZINC001173217447 1097368878 /nfs/dbraw/zinc/36/88/78/1097368878.db2.gz UXJHMUVPPDSQNO-GFCCVEGCSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOC1CCCCC1 ZINC001173220254 1097371082 /nfs/dbraw/zinc/37/10/82/1097371082.db2.gz WSPBFCJVQFPDBX-CQSZACIVSA-N 1 0 306.406 3.465 20 5 DGBDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1F ZINC001173221332 1097371916 /nfs/dbraw/zinc/37/19/16/1097371916.db2.gz LYMYZOFZZWNGKU-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncc(Cl)s1 ZINC001173220857 1097372218 /nfs/dbraw/zinc/37/22/18/1097372218.db2.gz HGUGBPMMOSOOCF-SECBINFHSA-N 1 0 311.794 3.426 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(CCO)CC1 ZINC001173221160 1097372333 /nfs/dbraw/zinc/37/23/33/1097372333.db2.gz KXUIKIJMDATMAD-VQCLRJIVSA-N 1 0 306.406 3.057 20 5 DGBDRO CCOC1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173221051 1097372425 /nfs/dbraw/zinc/37/24/25/1097372425.db2.gz FIQNRSUAQSRBQJ-KTAKPFMOSA-N 1 0 306.406 3.463 20 5 DGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222101 1097372955 /nfs/dbraw/zinc/37/29/55/1097372955.db2.gz UADJIEPYFNFULA-ZIAGYGMSSA-N 1 0 314.385 3.452 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1O ZINC001173225604 1097374680 /nfs/dbraw/zinc/37/46/80/1097374680.db2.gz SSMXJLYVIBVVGI-GFCCVEGCSA-N 1 0 316.357 3.030 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001173225492 1097375283 /nfs/dbraw/zinc/37/52/83/1097375283.db2.gz KDLZRYLCHMEJAV-COXVUDFISA-N 1 0 316.401 3.359 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001173228181 1097376591 /nfs/dbraw/zinc/37/65/91/1097376591.db2.gz UEJQFXHTDDZJHJ-CRAIPNDOSA-N 1 0 317.433 3.086 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)CC1CCCCC1 ZINC001173235286 1097378223 /nfs/dbraw/zinc/37/82/23/1097378223.db2.gz SAYXBFVPJDNQFL-YOEHRIQHSA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001173234929 1097378244 /nfs/dbraw/zinc/37/82/44/1097378244.db2.gz UXGQHEINOBRBRD-PBHICJAKSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001173234937 1097378784 /nfs/dbraw/zinc/37/87/84/1097378784.db2.gz UXGQHEINOBRBRD-YOEHRIQHSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COc2ccc(F)cc21 ZINC001173236125 1097379892 /nfs/dbraw/zinc/37/98/92/1097379892.db2.gz XCTMSBCBRXWDBO-MEDUHNTESA-N 1 0 316.332 3.388 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccccc1F ZINC001173213004 1097381259 /nfs/dbraw/zinc/38/12/59/1097381259.db2.gz CBGGHJMSKKWBJD-ZDUSSCGKSA-N 1 0 302.349 3.497 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1ncccn1 ZINC001173237786 1097393389 /nfs/dbraw/zinc/39/33/89/1097393389.db2.gz MSIZHWVYIXWWRT-BBRMVZONSA-N 1 0 312.373 3.153 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001229963276 1097418865 /nfs/dbraw/zinc/41/88/65/1097418865.db2.gz HTKDWISZIBMZLZ-QHBPRCKVSA-N 1 0 310.781 3.357 20 5 DGBDRO Cc1ccc(F)c(O[C@@H](C)C[N+](C)(C)C)c1Br ZINC001230831268 1097601708 /nfs/dbraw/zinc/60/17/08/1097601708.db2.gz MLWGHHQSSJYLHG-JTQLQIEISA-N 1 0 305.211 3.370 20 5 DGBDRO CC[C@@H](CC(=O)OC)c1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001231005836 1097643821 /nfs/dbraw/zinc/64/38/21/1097643821.db2.gz DNIIKUGNCPFBKS-GJZGRUSLSA-N 1 0 308.442 3.217 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC001174818904 1097847294 /nfs/dbraw/zinc/84/72/94/1097847294.db2.gz SIOPGSDVBOQRDK-UHFFFAOYSA-N 1 0 313.829 3.458 20 5 DGBDRO O[C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219388 1097972240 /nfs/dbraw/zinc/97/22/40/1097972240.db2.gz TWWSNUPHGRKXLU-KRWDZBQOSA-N 1 0 307.397 3.130 20 5 DGBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2ccc3cccnc3c2n1 ZINC001232223204 1097973010 /nfs/dbraw/zinc/97/30/10/1097973010.db2.gz LZGZBXMQQNRROF-HDICACEKSA-N 1 0 318.424 3.061 20 5 DGBDRO CO[C@H](C)C1C[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232227656 1097974741 /nfs/dbraw/zinc/97/47/41/1097974741.db2.gz KCIHHJPWVXGANS-CYBMUJFWSA-N 1 0 307.397 3.250 20 5 DGBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1cc(C)ccc1C ZINC001175362487 1098024823 /nfs/dbraw/zinc/02/48/23/1098024823.db2.gz VMPDBRFIPDVDFV-INIZCTEOSA-N 1 0 316.405 3.457 20 5 DGBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1cc(C)ccc1C ZINC001175362488 1098025153 /nfs/dbraw/zinc/02/51/53/1098025153.db2.gz VMPDBRFIPDVDFV-MRXNPFEDSA-N 1 0 316.405 3.457 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001176035867 1098238872 /nfs/dbraw/zinc/23/88/72/1098238872.db2.gz FVVSSEJNDMOMJZ-DUVNUKRYSA-N 1 0 320.389 3.225 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])CC1 ZINC001233577261 1098381467 /nfs/dbraw/zinc/38/14/67/1098381467.db2.gz FFTNGZLMZVELHN-UHFFFAOYSA-N 1 0 323.349 3.145 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cccnc1OCc1ccccc1 ZINC001233609719 1098388979 /nfs/dbraw/zinc/38/89/79/1098388979.db2.gz BRSMYJHRHIYSAC-OAHLLOKOSA-N 1 0 301.410 3.134 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cc(Br)cnc2c1 ZINC001233642705 1098395989 /nfs/dbraw/zinc/39/59/89/1098395989.db2.gz OMSPEOMTIOWXDQ-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC001176792579 1098432510 /nfs/dbraw/zinc/43/25/10/1098432510.db2.gz DPHVCDDPPWHFOE-JKSUJKDBSA-N 1 0 304.390 3.484 20 5 DGBDRO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001176823415 1098440858 /nfs/dbraw/zinc/44/08/58/1098440858.db2.gz CRRJAATYLCUQJI-GFCCVEGCSA-N 1 0 310.357 3.332 20 5 DGBDRO NC(=O)[C@H]1CC12C[NH+](Cc1c3ccccc3cc3ccccc31)C2 ZINC001277814825 1098445280 /nfs/dbraw/zinc/44/52/80/1098445280.db2.gz PNVUXKGUAAOAGT-LJQANCHMSA-N 1 0 316.404 3.300 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001234367666 1098543468 /nfs/dbraw/zinc/54/34/68/1098543468.db2.gz IKOLTSYFSJJVGM-AWEZNQCLSA-N 1 0 322.429 3.059 20 5 DGBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001177737304 1098595943 /nfs/dbraw/zinc/59/59/43/1098595943.db2.gz LZFDPSOFGYLUDJ-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2OC1CC[NH+](C2CC2)CC1 ZINC001234675056 1098641448 /nfs/dbraw/zinc/64/14/48/1098641448.db2.gz WFXBYIUVFBTFAT-UHFFFAOYSA-N 1 0 313.357 3.149 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc(C2CC2)s1 ZINC001178608905 1098886961 /nfs/dbraw/zinc/88/69/61/1098886961.db2.gz ADSATBYFBWSUGZ-UHFFFAOYSA-N 1 0 303.387 3.261 20 5 DGBDRO CCOc1ccccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001178608976 1098887143 /nfs/dbraw/zinc/88/71/43/1098887143.db2.gz CNOIBVSAMBLOKB-UHFFFAOYSA-N 1 0 300.358 3.326 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](OC)C1CCCC1 ZINC001179243654 1099045782 /nfs/dbraw/zinc/04/57/82/1099045782.db2.gz SGTORUZLICCTQU-KRWDZBQOSA-N 1 0 322.405 3.288 20 5 DGBDRO CCn1cnc(Cl)c1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001179685219 1099163459 /nfs/dbraw/zinc/16/34/59/1099163459.db2.gz HCOSOXPNZWARDB-LLVKDONJSA-N 1 0 322.796 3.358 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc(F)c(F)c1 ZINC001180310237 1099367582 /nfs/dbraw/zinc/36/75/82/1099367582.db2.gz BGDRPMFZBPMESW-UHFFFAOYSA-N 1 0 322.311 3.214 20 5 DGBDRO CCCn1cncc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001180666333 1099488923 /nfs/dbraw/zinc/48/89/23/1099488923.db2.gz WVDWBFCXGMLTGZ-UHFFFAOYSA-N 1 0 302.378 3.226 20 5 DGBDRO Cc1cc(N2CC[N@H+](C3CCCC3)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC001187625441 1099561396 /nfs/dbraw/zinc/56/13/96/1099561396.db2.gz VXZRDJUFEMFZHS-LLVKDONJSA-N 1 0 309.435 3.418 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(C)C ZINC001190604522 1100305715 /nfs/dbraw/zinc/30/57/15/1100305715.db2.gz FTTRMCALNKIQKP-ZDUSSCGKSA-N 1 0 307.394 3.290 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001195037112 1101056167 /nfs/dbraw/zinc/05/61/67/1101056167.db2.gz LKWXGPVKLCGZJN-WBMJQRKESA-N 1 0 319.405 3.480 20 5 DGBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1F ZINC001196159308 1101260809 /nfs/dbraw/zinc/26/08/09/1101260809.db2.gz PBFOHPZWRYMJRB-UHFFFAOYSA-N 1 0 320.368 3.151 20 5 DGBDRO C[C@@]1(C(F)(F)F)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001197541998 1101590897 /nfs/dbraw/zinc/59/08/97/1101590897.db2.gz HEZYUAKLBWAQJP-CYBMUJFWSA-N 1 0 318.295 3.248 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001198755431 1101977450 /nfs/dbraw/zinc/97/74/50/1101977450.db2.gz YRLFNUGYTYDIGN-MRXNPFEDSA-N 1 0 320.389 3.042 20 5 DGBDRO COc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001202227824 1102897078 /nfs/dbraw/zinc/89/70/78/1102897078.db2.gz OJAIUUQFZKJVMJ-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C/C=C/C3CC3)CC2)cc1 ZINC001326286349 1103256996 /nfs/dbraw/zinc/25/69/96/1103256996.db2.gz PFPDLXNCNXBCRA-OWOJBTEDSA-N 1 0 301.390 3.119 20 5 DGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCC(O)CC1 ZINC001327513665 1103668982 /nfs/dbraw/zinc/66/89/82/1103668982.db2.gz ZCCBZWNVXAEXAI-UHFFFAOYSA-N 1 0 306.406 3.356 20 5 DGBDRO C[C@H](C[NH+]1CCC(C)CC1)c1nnc(-c2ccc([N+](=O)[O-])o2)o1 ZINC001328390352 1103929754 /nfs/dbraw/zinc/92/97/54/1103929754.db2.gz IUSBRVBDUSJJIV-LLVKDONJSA-N 1 0 320.349 3.073 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001329976437 1104443026 /nfs/dbraw/zinc/44/30/26/1104443026.db2.gz MQCAIBSSFHHVJG-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001330299990 1104533550 /nfs/dbraw/zinc/53/35/50/1104533550.db2.gz GADKWTBHMTUIOB-GRYCIOLGSA-N 1 0 312.316 3.127 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC001330601048 1104589930 /nfs/dbraw/zinc/58/99/30/1104589930.db2.gz IYMVRAJSWSFEHX-UHFFFAOYSA-N 1 0 307.394 3.352 20 5 DGBDRO Cc1cc([C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c(C)o1 ZINC001330626364 1104598048 /nfs/dbraw/zinc/59/80/48/1104598048.db2.gz ODYBGQYUPFDMAF-PKSQDBQZSA-N 1 0 304.350 3.055 20 5 DGBDRO C[N@H+]([C@@H]1CCCC[C@@H]1N)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246921829 1104739229 /nfs/dbraw/zinc/73/92/29/1104739229.db2.gz SLZOSYOCIVVHAZ-BPQIPLTHSA-N 1 0 317.433 3.044 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001246988110 1104765706 /nfs/dbraw/zinc/76/57/06/1104765706.db2.gz OJINAGNNKYRSMB-RHSMWYFYSA-N 1 0 317.433 3.132 20 5 DGBDRO Cc1cccc2c1[nH+]c(N)n2-c1ccc([N+](=O)[O-])cc1Cl ZINC001248594845 1105134184 /nfs/dbraw/zinc/13/41/84/1105134184.db2.gz WQRIWBDMWQIEGE-UHFFFAOYSA-N 1 0 302.721 3.478 20 5 DGBDRO C[C@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254476893 1106078373 /nfs/dbraw/zinc/07/83/73/1106078373.db2.gz WQECLZHWUUGMAP-AWEZNQCLSA-N 1 0 303.406 3.296 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@H](CF)C3)CC2)cc1 ZINC001254478550 1106078734 /nfs/dbraw/zinc/07/87/34/1106078734.db2.gz GMQLYQBGFKZEIX-CQSZACIVSA-N 1 0 321.396 3.245 20 5 DGBDRO COc1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ccc1O ZINC001254535074 1106098334 /nfs/dbraw/zinc/09/83/34/1106098334.db2.gz FYAPCXYFJPDZBL-GFCCVEGCSA-N 1 0 316.357 3.030 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(C)(C)N(O)C1(C)C ZINC001254541616 1106099683 /nfs/dbraw/zinc/09/96/83/1106099683.db2.gz ICDXMELSXYCWSQ-SWLSCSKDSA-N 1 0 321.421 3.136 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)c1ccccc1 ZINC001254542931 1106099792 /nfs/dbraw/zinc/09/97/92/1106099792.db2.gz QJPSWCJORFTWRY-AWEZNQCLSA-N 1 0 312.369 3.388 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cnc2cccc(C[NH3+])c21 ZINC001254545303 1106100290 /nfs/dbraw/zinc/10/02/90/1106100290.db2.gz CCSHZRWRRHOZDA-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO CCOc1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254545812 1106100373 /nfs/dbraw/zinc/10/03/73/1106100373.db2.gz PSNAMGGQMYYDQA-CYBMUJFWSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2cnn(C)c2c1 ZINC001254550869 1106101379 /nfs/dbraw/zinc/10/13/79/1106101379.db2.gz SRJFUKSYYXICFG-ZDUSSCGKSA-N 1 0 324.384 3.202 20 5 DGBDRO CCOCC1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254558613 1106103574 /nfs/dbraw/zinc/10/35/74/1106103574.db2.gz GYSRHSVDZUPHHT-CQSZACIVSA-N 1 0 306.406 3.274 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001254563822 1106104165 /nfs/dbraw/zinc/10/41/65/1106104165.db2.gz DLNPKGLMOJHLND-RHSMWYFYSA-N 1 0 304.390 3.028 20 5 DGBDRO CCC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001254563680 1106104333 /nfs/dbraw/zinc/10/43/33/1106104333.db2.gz BCFSQZCUAMEQQI-AWEZNQCLSA-N 1 0 306.406 3.417 20 5 DGBDRO CC(C)OC1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563127 1106104361 /nfs/dbraw/zinc/10/43/61/1106104361.db2.gz UHOCTHXDZSJWBN-AWEZNQCLSA-N 1 0 306.406 3.415 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCOC2)CC1 ZINC001254563899 1106104399 /nfs/dbraw/zinc/10/43/99/1106104399.db2.gz FZBDPKBORUFCBX-OAHLLOKOSA-N 1 0 318.417 3.418 20 5 DGBDRO Cc1nc2c(s1)C[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254560148 1106104426 /nfs/dbraw/zinc/10/44/26/1106104426.db2.gz PQDAOXKGNRONHU-LLVKDONJSA-N 1 0 317.414 3.349 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCC3)C2 ZINC001254566877 1106105042 /nfs/dbraw/zinc/10/50/42/1106105042.db2.gz LAWBBMDBPIJFDC-SFHVURJKSA-N 1 0 308.381 3.341 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccnc3ccccc13)C2 ZINC001254565253 1106105347 /nfs/dbraw/zinc/10/53/47/1106105347.db2.gz CSHUBSQGBHRHTI-MRXNPFEDSA-N 1 0 319.364 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCc3cccnc31)C2 ZINC001254575349 1106106618 /nfs/dbraw/zinc/10/66/18/1106106618.db2.gz PUSAFUZSDWPBCX-NVXWUHKLSA-N 1 0 309.369 3.124 20 5 DGBDRO Cc1cc(F)cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254574809 1106106845 /nfs/dbraw/zinc/10/68/45/1106106845.db2.gz LFBKMNDTDNRWFE-INIZCTEOSA-N 1 0 300.333 3.299 20 5 DGBDRO COc1cccc([C@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572931 1106106925 /nfs/dbraw/zinc/10/69/25/1106106925.db2.gz VDPYMOQITYJVSV-BLLLJJGKSA-N 1 0 312.369 3.421 20 5 DGBDRO Cc1cccc(OCC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254575711 1106106944 /nfs/dbraw/zinc/10/69/44/1106106944.db2.gz SQFBCVZWXAIMHM-MRXNPFEDSA-N 1 0 312.369 3.039 20 5 DGBDRO Cc1c(F)cccc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573207 1106107021 /nfs/dbraw/zinc/10/70/21/1106107021.db2.gz AACUAWYCTCRLMQ-HNNXBMFYSA-N 1 0 300.333 3.299 20 5 DGBDRO Cc1cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cnc1Cl ZINC001254578158 1106107669 /nfs/dbraw/zinc/10/76/69/1106107669.db2.gz JYDWEQVKFRUSMC-AWEZNQCLSA-N 1 0 317.776 3.209 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(c3cccc(F)c3)CC1)C2 ZINC001254577020 1106107691 /nfs/dbraw/zinc/10/76/91/1106107691.db2.gz BJIFKTRBMWTUCM-INIZCTEOSA-N 1 0 312.344 3.480 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCOC1CCCCC1)C2 ZINC001254580247 1106108511 /nfs/dbraw/zinc/10/85/11/1106108511.db2.gz CSIWZYFQMXXERG-OAHLLOKOSA-N 1 0 304.390 3.001 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCc3cnccc31)C2 ZINC001254590399 1106109967 /nfs/dbraw/zinc/10/99/67/1106109967.db2.gz WRBUEWVAJZVBOW-CRAIPNDOSA-N 1 0 309.369 3.124 20 5 DGBDRO CC1(C)C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254595697 1106110970 /nfs/dbraw/zinc/11/09/70/1106110970.db2.gz YKTVSJWQUWSHDO-CQSZACIVSA-N 1 0 310.344 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](F)C(F)(F)CC1)C2 ZINC001254600970 1106111584 /nfs/dbraw/zinc/11/15/84/1106111584.db2.gz XINNRNQVCJTTGW-UONOGXRCSA-N 1 0 314.307 3.131 20 5 DGBDRO C[N@H+](Cc1ccc(F)cc1F)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254607737 1106112560 /nfs/dbraw/zinc/11/25/60/1106112560.db2.gz MTMDTAIXHORPCT-INIZCTEOSA-N 1 0 318.323 3.472 20 5 DGBDRO COc1cccc2c1C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254609306 1106112579 /nfs/dbraw/zinc/11/25/79/1106112579.db2.gz VFUVHOCTOYIKEB-INIZCTEOSA-N 1 0 310.353 3.086 20 5 DGBDRO Cc1ccc2c(c1)CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254610121 1106112664 /nfs/dbraw/zinc/11/26/64/1106112664.db2.gz IGUQCZRKSOLHJS-IBGZPJMESA-N 1 0 308.381 3.429 20 5 DGBDRO COc1cc(N2CCC([NH2+][C@@H](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256083934 1106367135 /nfs/dbraw/zinc/36/71/35/1106367135.db2.gz YWRMYNYNMOTEJG-ZDUSSCGKSA-N 1 0 321.421 3.206 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@](C)(CO)C1 ZINC001320643805 1107085561 /nfs/dbraw/zinc/08/55/61/1107085561.db2.gz QGEBXQBQFFCELU-DZXKJOIRSA-N 1 0 304.390 3.093 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001321751967 1107425216 /nfs/dbraw/zinc/42/52/16/1107425216.db2.gz MWMYPYYJPREAGH-HUUCEWRRSA-N 1 0 304.390 3.486 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001321795995 1107435715 /nfs/dbraw/zinc/43/57/15/1107435715.db2.gz GZSJTHFZMCGJMH-LSDHHAIUSA-N 1 0 314.389 3.428 20 5 DGBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001318054538 1107812993 /nfs/dbraw/zinc/81/29/93/1107812993.db2.gz NDGFDTPONCKRKY-CZUORRHYSA-N 1 0 319.405 3.037 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001318372646 1107963841 /nfs/dbraw/zinc/96/38/41/1107963841.db2.gz VEWJGBOQUKRFJW-AAEUAGOBSA-N 1 0 320.418 3.489 20 5 DGBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001318763985 1108188651 /nfs/dbraw/zinc/18/86/51/1108188651.db2.gz DNMKRKNOLNRFGN-OCCSQVGLSA-N 1 0 320.418 3.118 20 5 DGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001318763982 1108189082 /nfs/dbraw/zinc/18/90/82/1108189082.db2.gz DNMKRKNOLNRFGN-GXTWGEPZSA-N 1 0 320.418 3.118 20 5 DGBDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC001324761593 1108454752 /nfs/dbraw/zinc/45/47/52/1108454752.db2.gz XMEYFOPAIWDSJW-KZNAEPCWSA-N 1 0 317.433 3.435 20 5 DGBDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC001324761594 1108455063 /nfs/dbraw/zinc/45/50/63/1108455063.db2.gz XMEYFOPAIWDSJW-OKZBNKHCSA-N 1 0 317.433 3.435 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1N(C)C ZINC001319762925 1108627093 /nfs/dbraw/zinc/62/70/93/1108627093.db2.gz KCMSBXTUILBGHT-XKQJLSEDSA-N 1 0 305.422 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC001319846618 1108661417 /nfs/dbraw/zinc/66/14/17/1108661417.db2.gz TWHVLCMXTGRCCX-MRXNPFEDSA-N 1 0 316.332 3.046 20 5 DGBDRO CCOCCOC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001307414909 1111297161 /nfs/dbraw/zinc/29/71/61/1111297161.db2.gz GFNGIVIECKHHLE-CQSZACIVSA-N 1 0 322.405 3.173 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCCC3(CCC3)O1)CC2 ZINC001307524809 1111311015 /nfs/dbraw/zinc/31/10/15/1111311015.db2.gz ZZGQNDYZWGATAT-QGZVFWFLSA-N 1 0 316.401 3.445 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001307562891 1111314456 /nfs/dbraw/zinc/31/44/56/1111314456.db2.gz HZOCECXLTPJLTO-KBPBESRZSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001307563495 1111314499 /nfs/dbraw/zinc/31/44/99/1111314499.db2.gz NLHNPTPWAVWLBI-KBPBESRZSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC(C)(C)[C@@H](C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001307924226 1111356069 /nfs/dbraw/zinc/35/60/69/1111356069.db2.gz QPEQAGDXCUNNRH-GFCCVEGCSA-N 1 0 310.394 3.397 20 5 DGBDRO Cc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001308069306 1111373708 /nfs/dbraw/zinc/37/37/08/1111373708.db2.gz ZYHYYSAWMKZGKI-CYBMUJFWSA-N 1 0 313.357 3.193 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001308115319 1111380399 /nfs/dbraw/zinc/38/03/99/1111380399.db2.gz UUUSVFMISUMZLB-KGLIPLIRSA-N 1 0 312.373 3.244 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN(C)c1ccccc1 ZINC001308194930 1111395788 /nfs/dbraw/zinc/39/57/88/1111395788.db2.gz OPCSHNGRUZIEFB-UHFFFAOYSA-N 1 0 313.401 3.438 20 5 DGBDRO COCCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001308203502 1111397133 /nfs/dbraw/zinc/39/71/33/1111397133.db2.gz FMCKFPLMGOMUEK-UHFFFAOYSA-N 1 0 304.346 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C/C=C/c2cccc(F)c2)cc1 ZINC001308246435 1111403664 /nfs/dbraw/zinc/40/36/64/1111403664.db2.gz APLDUBITCLXHIN-DUXPYHPUSA-N 1 0 316.332 3.416 20 5 DGBDRO Cc1cc(F)c(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001308247566 1111404363 /nfs/dbraw/zinc/40/43/63/1111404363.db2.gz UBXCDQSXWKCTLG-UHFFFAOYSA-N 1 0 322.311 3.350 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC001308389557 1111424364 /nfs/dbraw/zinc/42/43/64/1111424364.db2.gz DEKQSDDBJMLODL-OAHLLOKOSA-N 1 0 312.369 3.293 20 5 DGBDRO Cc1nc2ccccn2c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001308494476 1111434999 /nfs/dbraw/zinc/43/49/99/1111434999.db2.gz IDIIZJOVUBIIDT-UHFFFAOYSA-N 1 0 310.357 3.149 20 5 DGBDRO CCC[C@H](O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001308538639 1111439614 /nfs/dbraw/zinc/43/96/14/1111439614.db2.gz NESLRFZURJTOPK-ZDUSSCGKSA-N 1 0 318.373 3.496 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC001308763950 1111471913 /nfs/dbraw/zinc/47/19/13/1111471913.db2.gz CKPILFDPMROMJG-CQSZACIVSA-N 1 0 305.422 3.128 20 5 DGBDRO COc1c(O)ccc(C[N@H+](CCC2CC2)CC2CC2)c1[N+](=O)[O-] ZINC001308875553 1111487531 /nfs/dbraw/zinc/48/75/31/1111487531.db2.gz WCDBNMPZKYKNEP-UHFFFAOYSA-N 1 0 320.389 3.321 20 5 DGBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000278634694 214291526 /nfs/dbraw/zinc/29/15/26/214291526.db2.gz FSMQAOYNYLGDTB-CABZTGNLSA-N 1 0 318.295 3.271 20 5 DGBDRO Cc1cnc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000316866480 231155331 /nfs/dbraw/zinc/15/53/31/231155331.db2.gz KERYQHLDSVPYHF-MLGOLLRUSA-N 1 0 306.410 3.221 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000320255324 231192216 /nfs/dbraw/zinc/19/22/16/231192216.db2.gz QOLLAKRHWXUOHK-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000296610422 529418203 /nfs/dbraw/zinc/41/82/03/529418203.db2.gz WGVWKXFTQNMKON-MCIONIFRSA-N 1 0 324.446 3.216 20 5 DGBDRO C[NH+]1CCC(C)(CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413239591 530048397 /nfs/dbraw/zinc/04/83/97/530048397.db2.gz QZTUTHRPKVINPN-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286764705 219155138 /nfs/dbraw/zinc/15/51/38/219155138.db2.gz GCPKZSDQGGHSRX-DOMZBBRYSA-N 1 0 323.824 3.307 20 5 DGBDRO CO[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000130261921 432019462 /nfs/dbraw/zinc/01/94/62/432019462.db2.gz CVWCOMFBZONSCL-HNNXBMFYSA-N 1 0 316.357 3.466 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000287010695 219267739 /nfs/dbraw/zinc/26/77/39/219267739.db2.gz QQNYXMSKKAXXRW-INIZCTEOSA-N 1 0 320.776 3.462 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000130342346 432022437 /nfs/dbraw/zinc/02/24/37/432022437.db2.gz CYKPISNRQJOPEU-HDEZJCGLSA-N 1 0 318.417 3.321 20 5 DGBDRO CC[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000150745458 186062505 /nfs/dbraw/zinc/06/25/05/186062505.db2.gz FEFFPEIJMHHNPN-ZDUSSCGKSA-N 1 0 305.378 3.188 20 5 DGBDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000155793762 186113508 /nfs/dbraw/zinc/11/35/08/186113508.db2.gz DAIMAVQFVPWDST-WDEREUQCSA-N 1 0 300.362 3.413 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000267835704 186371247 /nfs/dbraw/zinc/37/12/47/186371247.db2.gz SGNSAGPXXMJSNL-GRYCIOLGSA-N 1 0 316.361 3.294 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000268758611 186381773 /nfs/dbraw/zinc/38/17/73/186381773.db2.gz MNMOUHCFEMAMIN-MEDUHNTESA-N 1 0 304.321 3.118 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000107070555 432027605 /nfs/dbraw/zinc/02/76/05/432027605.db2.gz WTYCYUDNFDSHIM-QWHCGFSZSA-N 1 0 313.357 3.273 20 5 DGBDRO CC[C@@]1(C)CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072802708 191229565 /nfs/dbraw/zinc/22/95/65/191229565.db2.gz CZKWLYZNLJXFFR-KRWDZBQOSA-N 1 0 319.405 3.070 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC(C)(C)C1 ZINC000072827733 191234881 /nfs/dbraw/zinc/23/48/81/191234881.db2.gz GIEUQHGECBIJTM-LLVKDONJSA-N 1 0 316.361 3.438 20 5 DGBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173403249 198211507 /nfs/dbraw/zinc/21/15/07/198211507.db2.gz UDKXYSLRWAIJBA-VXGBXAGGSA-N 1 0 308.378 3.366 20 5 DGBDRO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173383795 198208506 /nfs/dbraw/zinc/20/85/06/198208506.db2.gz DYRFUCPAHOBIFB-GFCCVEGCSA-N 1 0 323.393 3.160 20 5 DGBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000331966343 234331393 /nfs/dbraw/zinc/33/13/93/234331393.db2.gz IOKWZDLNXVQURB-OAHLLOKOSA-N 1 0 321.352 3.079 20 5 DGBDRO CCC(O)(CC)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000471795859 535215777 /nfs/dbraw/zinc/21/57/77/535215777.db2.gz BLIVQOUSSDCHAY-INIZCTEOSA-N 1 0 320.433 3.447 20 5 DGBDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174871045 198396128 /nfs/dbraw/zinc/39/61/28/198396128.db2.gz IIWXWMJEYSEBCW-HNNXBMFYSA-N 1 0 318.377 3.310 20 5 DGBDRO CC(C)[NH2+]C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182332135 199421218 /nfs/dbraw/zinc/42/12/18/199421218.db2.gz DFHUTRSMNKFBIY-UHFFFAOYSA-N 1 0 311.813 3.211 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449246594 535265611 /nfs/dbraw/zinc/26/56/11/535265611.db2.gz DLOJTBJXJYKPGM-FRFSOERESA-N 1 0 306.406 3.319 20 5 DGBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000067948558 432047130 /nfs/dbraw/zinc/04/71/30/432047130.db2.gz QNOKHVIIBJNRNE-INIZCTEOSA-N 1 0 315.373 3.318 20 5 DGBDRO CC[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000237121935 202158936 /nfs/dbraw/zinc/15/89/36/202158936.db2.gz AVXVEYKKGGCEBM-UHFFFAOYSA-N 1 0 316.357 3.292 20 5 DGBDRO COc1ccc(C[NH2+]CCOc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000237148691 202166628 /nfs/dbraw/zinc/16/66/28/202166628.db2.gz SSMHGBIDNBXQMR-UHFFFAOYSA-N 1 0 316.357 3.080 20 5 DGBDRO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000166623649 432062154 /nfs/dbraw/zinc/06/21/54/432062154.db2.gz ZQFWVUOKDVKOKE-BZSNNMDCSA-N 1 0 312.369 3.294 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000166623433 432062393 /nfs/dbraw/zinc/06/23/93/432062393.db2.gz ZQFWVUOKDVKOKE-OKZBNKHCSA-N 1 0 312.369 3.294 20 5 DGBDRO CCOc1ccc([C@@H](C)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000179394537 199028326 /nfs/dbraw/zinc/02/83/26/199028326.db2.gz UVUDPSUSLDAZMK-CQSZACIVSA-N 1 0 321.421 3.130 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000179404578 199029751 /nfs/dbraw/zinc/02/97/51/199029751.db2.gz DLOXITRVAFDGSL-QWHCGFSZSA-N 1 0 308.378 3.071 20 5 DGBDRO C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000179586285 199059248 /nfs/dbraw/zinc/05/92/48/199059248.db2.gz JTWLDTDVQLCGOJ-MNOVXSKESA-N 1 0 306.387 3.355 20 5 DGBDRO C[C@@H]([NH2+]CCCCCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000180429941 199158589 /nfs/dbraw/zinc/15/85/89/199158589.db2.gz WCIBBMMECFJVHI-CQSZACIVSA-N 1 0 302.378 3.312 20 5 DGBDRO C[NH+](C)CCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179969629 432075934 /nfs/dbraw/zinc/07/59/34/432075934.db2.gz DTOSEIFPXYDSHP-GOSISDBHSA-N 1 0 313.401 3.226 20 5 DGBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180857971 199218905 /nfs/dbraw/zinc/21/89/05/199218905.db2.gz HCHDZUXZMGHZND-JSGCOSHPSA-N 1 0 316.357 3.058 20 5 DGBDRO CS[C@@H]1CCCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000134588100 432081198 /nfs/dbraw/zinc/08/11/98/432081198.db2.gz NWBYEDJNYZLYMZ-CYBMUJFWSA-N 1 0 310.419 3.191 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)C1CCCCC1 ZINC000414831234 236893943 /nfs/dbraw/zinc/89/39/43/236893943.db2.gz CDFQTHRALLAIHD-RHSMWYFYSA-N 1 0 319.449 3.413 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000188244547 200215503 /nfs/dbraw/zinc/21/55/03/200215503.db2.gz BDYMLPLKYZDHKU-PXPSOEEZSA-N 1 0 316.401 3.499 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000237780958 202353531 /nfs/dbraw/zinc/35/35/31/202353531.db2.gz JYRCJUGWJPDGBA-INIZCTEOSA-N 1 0 320.776 3.380 20 5 DGBDRO CCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000170900794 432086855 /nfs/dbraw/zinc/08/68/55/432086855.db2.gz QDYYWMNMTFPTDP-UHFFFAOYSA-N 1 0 302.334 3.019 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)o1 ZINC000188832654 200310198 /nfs/dbraw/zinc/31/01/98/200310198.db2.gz KYZQMVUIYSEETD-QWHCGFSZSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000428385918 238018542 /nfs/dbraw/zinc/01/85/42/238018542.db2.gz CBVBLXDIDCOEDA-GPCFVJJQSA-N 1 0 316.401 3.499 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428997445 238037104 /nfs/dbraw/zinc/03/71/04/238037104.db2.gz CMSWLDOVWUEZAY-ATNYBXOESA-N 1 0 317.433 3.318 20 5 DGBDRO Cc1c(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429030866 238039254 /nfs/dbraw/zinc/03/92/54/238039254.db2.gz RYVULNDZTHURQM-SUNYJGFJSA-N 1 0 317.433 3.065 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C1CCC1)C1CCC1 ZINC000429119999 238040980 /nfs/dbraw/zinc/04/09/80/238040980.db2.gz BLUQZFBNDBEIDG-UHFFFAOYSA-N 1 0 317.389 3.249 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000430203569 238070805 /nfs/dbraw/zinc/07/08/05/238070805.db2.gz OXQANGLTPIHEFF-MRXNPFEDSA-N 1 0 312.369 3.420 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H](SC)C1 ZINC000430212296 238071392 /nfs/dbraw/zinc/07/13/92/238071392.db2.gz LUINEYUOIIDFQG-CQSZACIVSA-N 1 0 310.419 3.321 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCC1CCOCC1)C1CC1 ZINC000432776823 238135611 /nfs/dbraw/zinc/13/56/11/238135611.db2.gz RATYTOYGCPCNBB-UHFFFAOYSA-N 1 0 304.390 3.376 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000049182610 283580046 /nfs/dbraw/zinc/58/00/46/283580046.db2.gz KQPWAVKWFJFCLZ-NSHDSACASA-N 1 0 306.387 3.386 20 5 DGBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000292440377 223080535 /nfs/dbraw/zinc/08/05/35/223080535.db2.gz WYAWAJVIHMBXNK-ZDUSSCGKSA-N 1 0 321.396 3.040 20 5 DGBDRO C[C@@](O)(CC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000189837734 432095447 /nfs/dbraw/zinc/09/54/47/432095447.db2.gz GYAFEWRIPXPZNO-OAHLLOKOSA-N 1 0 306.387 3.044 20 5 DGBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271884451 209294588 /nfs/dbraw/zinc/29/45/88/209294588.db2.gz AAVJCIVSJMBNJX-HNNXBMFYSA-N 1 0 312.797 3.375 20 5 DGBDRO CC(C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000193217546 201008636 /nfs/dbraw/zinc/00/86/36/201008636.db2.gz LRHBVFNHVYTKQH-UHFFFAOYSA-N 1 0 305.378 3.044 20 5 DGBDRO CC1CC[NH+](CCCCNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193386856 201043071 /nfs/dbraw/zinc/04/30/71/201043071.db2.gz VHIXFWWRRCXVLP-UHFFFAOYSA-N 1 0 306.410 3.101 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000441184691 239017527 /nfs/dbraw/zinc/01/75/27/239017527.db2.gz WQEAYPCATBGIOS-ZIAGYGMSSA-N 1 0 322.405 3.493 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000441451919 239055054 /nfs/dbraw/zinc/05/50/54/239055054.db2.gz OJXSABLYARKABQ-ZFWWWQNUSA-N 1 0 320.389 3.247 20 5 DGBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000443317500 239191013 /nfs/dbraw/zinc/19/10/13/239191013.db2.gz XWGDPZBFLPLRTN-ZETOZRRWSA-N 1 0 312.797 3.230 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])s1)c1ccco1 ZINC000195511280 201396994 /nfs/dbraw/zinc/39/69/94/201396994.db2.gz NQFPACWYNVRSLH-SNVBAGLBSA-N 1 0 310.379 3.139 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCCC[C@H]12 ZINC000444684374 239323594 /nfs/dbraw/zinc/32/35/94/239323594.db2.gz MDGLHYFJBKFJFG-KFNAQCHYSA-N 1 0 314.389 3.482 20 5 DGBDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446848512 239579288 /nfs/dbraw/zinc/57/92/88/239579288.db2.gz ICKPYQAFALWZST-HZMBPMFUSA-N 1 0 302.378 3.385 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOC1CCCCC1 ZINC000449105372 240019850 /nfs/dbraw/zinc/01/98/50/240019850.db2.gz YPQXKTZXPLGVEH-AWEZNQCLSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449129374 240031778 /nfs/dbraw/zinc/03/17/78/240031778.db2.gz BUWSIODBAHJVBA-ZIAGYGMSSA-N 1 0 314.385 3.452 20 5 DGBDRO C[C@@H](CCc1cccn1C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449151471 240040957 /nfs/dbraw/zinc/04/09/57/240040957.db2.gz XPJQKWZYPYVXDV-GJZGRUSLSA-N 1 0 315.417 3.475 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000449174327 240053574 /nfs/dbraw/zinc/05/35/74/240053574.db2.gz PBYZSGMVZIOUCI-UOJCXKCYSA-N 1 0 318.417 3.319 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000449400269 240175772 /nfs/dbraw/zinc/17/57/72/240175772.db2.gz HTWBZXDLEZCGGE-BLLLJJGKSA-N 1 0 310.394 3.144 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](OC)[C@H](C)CC ZINC000449400272 240176984 /nfs/dbraw/zinc/17/69/84/240176984.db2.gz HTWBZXDLEZCGGE-WBMJQRKESA-N 1 0 310.394 3.144 20 5 DGBDRO C=Cn1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449500836 240249178 /nfs/dbraw/zinc/24/91/78/240249178.db2.gz ODYXWTHPDGFPQK-MRXNPFEDSA-N 1 0 312.373 3.271 20 5 DGBDRO CC[NH+](CC)CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000916555702 620635789 /nfs/dbraw/zinc/63/57/89/620635789.db2.gz NXXFWPBOJKJDBR-UHFFFAOYSA-N 1 0 322.386 3.308 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC[C@H]3CCOC3)C2)cc1 ZINC000449504863 240253123 /nfs/dbraw/zinc/25/31/23/240253123.db2.gz WJBGRLIRQDZBBK-HOCLYGCPSA-N 1 0 304.390 3.201 20 5 DGBDRO CC(C)[C@H](CO)[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000449514244 240259423 /nfs/dbraw/zinc/25/94/23/240259423.db2.gz VNOJNVHKWFFCBS-REQWGJQJSA-N 1 0 320.433 3.487 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CO ZINC000449708273 240378085 /nfs/dbraw/zinc/37/80/85/240378085.db2.gz GKBXEMYAUCFBLZ-HJWJTTGWSA-N 1 0 318.417 3.057 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]1CO ZINC000449708276 240378412 /nfs/dbraw/zinc/37/84/12/240378412.db2.gz GKBXEMYAUCFBLZ-XBVQOTNRSA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@H](c1ccccn1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000091701938 193094057 /nfs/dbraw/zinc/09/40/57/193094057.db2.gz BSDPVBQMAWSJMM-CQSZACIVSA-N 1 0 315.373 3.452 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000451091940 241003489 /nfs/dbraw/zinc/00/34/89/241003489.db2.gz KVHBBCTYXHTUSM-ZFWWWQNUSA-N 1 0 317.433 3.380 20 5 DGBDRO C[C@H]([NH2+]CCCO[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000451103446 241006729 /nfs/dbraw/zinc/00/67/29/241006729.db2.gz NWEDXLYRHBZJJI-BBRMVZONSA-N 1 0 308.378 3.179 20 5 DGBDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451187257 241037857 /nfs/dbraw/zinc/03/78/57/241037857.db2.gz PDEPBNQUMFGEPF-IPYPFGDCSA-N 1 0 314.389 3.095 20 5 DGBDRO CC(C)C[C@]1(C)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451291586 241072451 /nfs/dbraw/zinc/07/24/51/241072451.db2.gz PUJRTEQMQULHKN-KRWDZBQOSA-N 1 0 319.405 3.094 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451421935 241119425 /nfs/dbraw/zinc/11/94/25/241119425.db2.gz QRPMZYDADNHSES-MMTVNHQJSA-N 1 0 304.390 3.281 20 5 DGBDRO C[C@H]([NH2+][C@H]([C@H](CO)C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000451606560 241187183 /nfs/dbraw/zinc/18/71/83/241187183.db2.gz LYPGMUOMHISPGK-CXMBCZLWSA-N 1 0 304.390 3.043 20 5 DGBDRO CCC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000451441569 241125975 /nfs/dbraw/zinc/12/59/75/241125975.db2.gz RZCONERTGDHTSB-HNNXBMFYSA-N 1 0 321.421 3.362 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCC1CC1 ZINC000135287685 432109860 /nfs/dbraw/zinc/10/98/60/432109860.db2.gz CQRNDWKGIKVOQI-LLVKDONJSA-N 1 0 316.361 3.438 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1(OC)CCC1 ZINC000293067139 223380144 /nfs/dbraw/zinc/38/01/44/223380144.db2.gz VDGDNCPLPGQADJ-UHFFFAOYSA-N 1 0 308.378 3.042 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092642858 284007691 /nfs/dbraw/zinc/00/76/91/284007691.db2.gz CWDAQKOYODOCGF-JTQLQIEISA-N 1 0 317.336 3.338 20 5 DGBDRO Cc1ccc([C@@H](C)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000103715954 284033503 /nfs/dbraw/zinc/03/35/03/284033503.db2.gz OQEMUSNAKIRCJC-CQSZACIVSA-N 1 0 305.422 3.428 20 5 DGBDRO COc1cc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000462789761 243689327 /nfs/dbraw/zinc/68/93/27/243689327.db2.gz SCUMJVZKKFQICC-ZIAGYGMSSA-N 1 0 321.421 3.383 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C)CCOCC1 ZINC000468610851 244057632 /nfs/dbraw/zinc/05/76/32/244057632.db2.gz JTUUDLCRPBKSKI-UVTDQMKNSA-N 1 0 304.390 3.404 20 5 DGBDRO CC[C@@H](C)N(C)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468647976 244059783 /nfs/dbraw/zinc/05/97/83/244059783.db2.gz IDNAVYREGIBAAE-QKXCFHHRSA-N 1 0 305.422 3.318 20 5 DGBDRO C[N@H+](CCOc1ccc(F)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000468509928 244048417 /nfs/dbraw/zinc/04/84/17/244048417.db2.gz BWVHJYYSUDBJAT-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccccc1F)CC2 ZINC000469161321 244087709 /nfs/dbraw/zinc/08/77/09/244087709.db2.gz XMXMPHIFVINKME-UHFFFAOYSA-N 1 0 300.333 3.335 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000470178925 244156175 /nfs/dbraw/zinc/15/61/75/244156175.db2.gz PVYOXFYNAQKIOM-KMHDYCCVSA-N 1 0 316.401 3.357 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000470179192 244156917 /nfs/dbraw/zinc/15/69/17/244156917.db2.gz UDCDELSQIFBUJQ-CZAWJFPGSA-N 1 0 304.390 3.497 20 5 DGBDRO CC[C@]1(CO)CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470203108 244159039 /nfs/dbraw/zinc/15/90/39/244159039.db2.gz AKAICSUYPALKGW-KAPURRDVSA-N 1 0 318.417 3.483 20 5 DGBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119196668 284137325 /nfs/dbraw/zinc/13/73/25/284137325.db2.gz VNWYDOXOCMOYIA-LSDHHAIUSA-N 1 0 312.797 3.374 20 5 DGBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCOC1 ZINC000093839939 193316069 /nfs/dbraw/zinc/31/60/69/193316069.db2.gz OWNSQWZXEUXVSB-ZDUSSCGKSA-N 1 0 316.357 3.323 20 5 DGBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCOC1 ZINC000093839940 193316891 /nfs/dbraw/zinc/31/68/91/193316891.db2.gz OWNSQWZXEUXVSB-CYBMUJFWSA-N 1 0 316.357 3.323 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000481755798 244777098 /nfs/dbraw/zinc/77/70/98/244777098.db2.gz LERSNUMVAMEBSJ-SJORKVTESA-N 1 0 322.405 3.157 20 5 DGBDRO CC(C)[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000122146498 284214116 /nfs/dbraw/zinc/21/41/16/284214116.db2.gz RFAIQIICTUQSQE-YOEHRIQHSA-N 1 0 305.422 3.366 20 5 DGBDRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000412058343 284230183 /nfs/dbraw/zinc/23/01/83/284230183.db2.gz AJYQUZGXXPGHJD-DYVFJYSZSA-N 1 0 320.389 3.239 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCC[C@@H]1C ZINC000487965850 245130964 /nfs/dbraw/zinc/13/09/64/245130964.db2.gz UUMXQBFEFUQSLB-ZFWWWQNUSA-N 1 0 322.405 3.240 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCC[C@H]1C ZINC000487965847 245131748 /nfs/dbraw/zinc/13/17/48/245131748.db2.gz UUMXQBFEFUQSLB-HIFRSBDPSA-N 1 0 322.405 3.240 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C3CC3)s2)cc1 ZINC000265118356 204409522 /nfs/dbraw/zinc/40/95/22/204409522.db2.gz ZUHQZNQWFJMMNS-OAHLLOKOSA-N 1 0 318.398 3.184 20 5 DGBDRO CC(C)N(Cc1nnc(C2CC2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000125765607 284283585 /nfs/dbraw/zinc/28/35/85/284283585.db2.gz WMFUIYTURMOKCI-UHFFFAOYSA-N 1 0 316.361 3.266 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282545025 217078486 /nfs/dbraw/zinc/07/84/86/217078486.db2.gz RSMLIPUJMPZQHM-GOEBONIOSA-N 1 0 310.369 3.417 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282697743 217183770 /nfs/dbraw/zinc/18/37/70/217183770.db2.gz OPUCVPKDODXSKG-ZDUSSCGKSA-N 1 0 305.378 3.188 20 5 DGBDRO CCOC(=O)CCCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271700548 209136383 /nfs/dbraw/zinc/13/63/83/209136383.db2.gz HGTUQQXXHGYJNG-CYBMUJFWSA-N 1 0 308.378 3.369 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCOC1 ZINC000266128464 205121353 /nfs/dbraw/zinc/12/13/53/205121353.db2.gz CHIUWEHUUJNMGV-STQMWFEESA-N 1 0 316.357 3.369 20 5 DGBDRO Cc1nn(C(C)C)cc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282912556 217320421 /nfs/dbraw/zinc/32/04/21/217320421.db2.gz DOOVQTSTTCPXAO-UHFFFAOYSA-N 1 0 316.405 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CCO)C2CCCCC2)cc1 ZINC000181506620 432132461 /nfs/dbraw/zinc/13/24/61/432132461.db2.gz BTTWRHGQBSFELF-QGZVFWFLSA-N 1 0 306.406 3.058 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000267222011 205905210 /nfs/dbraw/zinc/90/52/10/205905210.db2.gz DBRQLSHCNYMSED-CHWSQXEVSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494657017 246177092 /nfs/dbraw/zinc/17/70/92/246177092.db2.gz YBDNAIJNYXDHLG-MRXNPFEDSA-N 1 0 304.390 3.294 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000267612449 206173017 /nfs/dbraw/zinc/17/30/17/206173017.db2.gz GZGAWHRVLOCUQX-KDOFPFPSSA-N 1 0 314.385 3.462 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000267698050 206225662 /nfs/dbraw/zinc/22/56/62/206225662.db2.gz INEDNKZWEJWPTL-CYBMUJFWSA-N 1 0 319.405 3.352 20 5 DGBDRO CCc1ccc([C@H](CNc2ncc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000190303148 432141798 /nfs/dbraw/zinc/14/17/98/432141798.db2.gz KRXZZUBTVIXKDL-ZDUSSCGKSA-N 1 0 320.418 3.329 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000153980253 284704375 /nfs/dbraw/zinc/70/43/75/284704375.db2.gz MDXKWFVYUCWEMY-IUODEOHRSA-N 1 0 310.394 3.051 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000188806909 284767548 /nfs/dbraw/zinc/76/75/48/284767548.db2.gz IQLRBMJOPNUYGR-UBHSHLNASA-N 1 0 308.378 3.212 20 5 DGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cn[nH]c1 ZINC000285263437 218357166 /nfs/dbraw/zinc/35/71/66/218357166.db2.gz QLILZDCSPFJRAT-QMMMGPOBSA-N 1 0 314.267 3.188 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285248597 218350414 /nfs/dbraw/zinc/35/04/14/218350414.db2.gz PVCKOUZOPLQWCJ-DETPVDSQSA-N 1 0 321.421 3.421 20 5 DGBDRO Cc1csc([C@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000285316553 218378805 /nfs/dbraw/zinc/37/88/05/218378805.db2.gz SVBDOHOPKMNZHT-KOLCDFICSA-N 1 0 320.418 3.396 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000110798491 194360114 /nfs/dbraw/zinc/36/01/14/194360114.db2.gz FAHVMZSVYWGLLJ-VIFPVBQESA-N 1 0 303.284 3.025 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000268922182 207089714 /nfs/dbraw/zinc/08/97/14/207089714.db2.gz JUYREBHJCCISEE-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO C[C@H]1CCC[C@](CNCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000058066178 184072633 /nfs/dbraw/zinc/07/26/33/184072633.db2.gz ZRVDTSJSJGIGSQ-YOEHRIQHSA-N 1 0 305.422 3.195 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000268985233 207142672 /nfs/dbraw/zinc/14/26/72/207142672.db2.gz LMGMFBYRWBBJOU-WFASDCNBSA-N 1 0 304.346 3.189 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285984050 218731297 /nfs/dbraw/zinc/73/12/97/218731297.db2.gz FMXSYANQNBDQDB-DOMZBBRYSA-N 1 0 305.378 3.010 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000269007225 207160914 /nfs/dbraw/zinc/16/09/14/207160914.db2.gz LJMNUDUMIBCMRZ-ABAIWWIYSA-N 1 0 306.387 3.349 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000269023041 207172829 /nfs/dbraw/zinc/17/28/29/207172829.db2.gz QMFFRETUJVDMDC-CJNGLKHVSA-N 1 0 300.358 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000060846372 184156175 /nfs/dbraw/zinc/15/61/75/184156175.db2.gz YMICJUKEPAGWFC-UHFFFAOYSA-N 1 0 312.373 3.066 20 5 DGBDRO COC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000246586544 284909697 /nfs/dbraw/zinc/90/96/97/284909697.db2.gz ZANUNPBNSLYXHR-UAGQMJEPSA-N 1 0 318.417 3.321 20 5 DGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000064915972 184306220 /nfs/dbraw/zinc/30/62/20/184306220.db2.gz PBCVDUJMMPKPIP-UKRRQHHQSA-N 1 0 312.373 3.237 20 5 DGBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000248838800 285029793 /nfs/dbraw/zinc/02/97/93/285029793.db2.gz NCOSGWPZCBWNHK-KNCOVGOOSA-N 1 0 306.406 3.319 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C(C)C)C2CCC2)cccc1[N+](=O)[O-] ZINC000119707732 195022670 /nfs/dbraw/zinc/02/26/70/195022670.db2.gz ZKAAGGOEPBAQQC-UHFFFAOYSA-N 1 0 319.405 3.495 20 5 DGBDRO COC1([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000421835315 533016719 /nfs/dbraw/zinc/01/67/19/533016719.db2.gz PSOQSUWDNNKVRY-CQSZACIVSA-N 1 0 306.406 3.465 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000119917112 195061853 /nfs/dbraw/zinc/06/18/53/195061853.db2.gz RJMNLZKCNKGQFK-AWEZNQCLSA-N 1 0 316.361 3.140 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302838464 252889062 /nfs/dbraw/zinc/88/90/62/252889062.db2.gz YOGBCUQDELYGNE-LBPRGKRZSA-N 1 0 311.813 3.477 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150880451 285076290 /nfs/dbraw/zinc/07/62/90/285076290.db2.gz NUOXTVZOIYTRKP-ZDUSSCGKSA-N 1 0 307.369 3.189 20 5 DGBDRO C[C@H]1CCC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000336999641 253034080 /nfs/dbraw/zinc/03/40/80/253034080.db2.gz RFOBTPGIPKQPHT-KBPBESRZSA-N 1 0 319.405 3.434 20 5 DGBDRO CC(C)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337258616 253071998 /nfs/dbraw/zinc/07/19/98/253071998.db2.gz VGABUXUHBYKPLH-HNNXBMFYSA-N 1 0 319.405 3.434 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000337382246 253101693 /nfs/dbraw/zinc/10/16/93/253101693.db2.gz CSBJBHBRIKQAGW-HNNXBMFYSA-N 1 0 308.353 3.173 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000152751202 285088780 /nfs/dbraw/zinc/08/87/80/285088780.db2.gz PAVFIQWESXXNSX-IUODEOHRSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337388506 253103894 /nfs/dbraw/zinc/10/38/94/253103894.db2.gz GOHFOTVSRUEFPK-WCQYABFASA-N 1 0 300.305 3.235 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000337557320 253139073 /nfs/dbraw/zinc/13/90/73/253139073.db2.gz SDSZKUSFTXQEIV-ZWKOPEQDSA-N 1 0 300.305 3.406 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000298746366 285095243 /nfs/dbraw/zinc/09/52/43/285095243.db2.gz RXQGOMWUISMCPO-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CCC(O)CC3)o2)c1 ZINC000338189392 253239474 /nfs/dbraw/zinc/23/94/74/253239474.db2.gz HCKFYHHMXNJAHN-UHFFFAOYSA-N 1 0 316.357 3.248 20 5 DGBDRO COc1ccc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000338477783 253295067 /nfs/dbraw/zinc/29/50/67/253295067.db2.gz QJXHCOACXHYNBZ-STQMWFEESA-N 1 0 322.405 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000289346824 285113015 /nfs/dbraw/zinc/11/30/15/285113015.db2.gz FSAVLFOACFXDAT-LBPRGKRZSA-N 1 0 305.334 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000301751542 285130773 /nfs/dbraw/zinc/13/07/73/285130773.db2.gz BCVWXBGWMVVERT-DYVFJYSZSA-N 1 0 301.390 3.048 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000236047643 285154655 /nfs/dbraw/zinc/15/46/55/285154655.db2.gz DPQMSTWZFQWFQC-ZDUSSCGKSA-N 1 0 309.797 3.217 20 5 DGBDRO CC[C@@H](C)[NH2+][C@@H](CNc1nccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000343245229 254119531 /nfs/dbraw/zinc/11/95/31/254119531.db2.gz BVNHLYZDXIARAI-OLZOCXBDSA-N 1 0 318.377 3.433 20 5 DGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](C)C1 ZINC000343250084 254119969 /nfs/dbraw/zinc/11/99/69/254119969.db2.gz MAHPKLMZMAXZMP-SNVBAGLBSA-N 1 0 317.311 3.144 20 5 DGBDRO CC(=O)c1cc(NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000343051281 254091183 /nfs/dbraw/zinc/09/11/83/254091183.db2.gz FZKOQGFHNRJZTF-INIZCTEOSA-N 1 0 319.405 3.330 20 5 DGBDRO COCC[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000343105590 254100708 /nfs/dbraw/zinc/10/07/08/254100708.db2.gz VHNZWCBTKLDQCG-UHFFFAOYSA-N 1 0 314.385 3.286 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000255670456 285172467 /nfs/dbraw/zinc/17/24/67/285172467.db2.gz OEZMTDWKMVNHDH-PKXJPQMGSA-N 1 0 302.374 3.109 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343678204 254176787 /nfs/dbraw/zinc/17/67/87/254176787.db2.gz COQBDVUROZYMMC-OLZOCXBDSA-N 1 0 307.394 3.290 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343688061 254178199 /nfs/dbraw/zinc/17/81/99/254178199.db2.gz KHSXWRKDCZUSCZ-GFCCVEGCSA-N 1 0 321.377 3.013 20 5 DGBDRO Cc1ccccc1[C@H]([C@@H](C)Nc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000343798222 254190312 /nfs/dbraw/zinc/19/03/12/254190312.db2.gz XTDAAOGDGMLVHX-DYVFJYSZSA-N 1 0 314.389 3.402 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCO)C1CCCCC1 ZINC000255738931 285177768 /nfs/dbraw/zinc/17/77/68/285177768.db2.gz LCSUWPXRCQYPKT-VURMDHGXSA-N 1 0 304.390 3.235 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CC=CCC1 ZINC000344061829 254219090 /nfs/dbraw/zinc/21/90/90/254219090.db2.gz MUORRQJMYLGXTL-KBPBESRZSA-N 1 0 317.389 3.210 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000344109579 254226567 /nfs/dbraw/zinc/22/65/67/254226567.db2.gz SSCZXPQFCAUOSK-JKSUJKDBSA-N 1 0 304.390 3.075 20 5 DGBDRO CC[C@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000344229438 254242395 /nfs/dbraw/zinc/24/23/95/254242395.db2.gz HIUZIMBVIQFGLT-QGZVFWFLSA-N 1 0 319.405 3.354 20 5 DGBDRO CC[C@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000344239428 254243210 /nfs/dbraw/zinc/24/32/10/254243210.db2.gz LQMLIGNZACEJPT-MRXNPFEDSA-N 1 0 305.378 3.045 20 5 DGBDRO Cn1ccc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000344646017 254292198 /nfs/dbraw/zinc/29/21/98/254292198.db2.gz UVICOLWZYKBTGN-UHFFFAOYSA-N 1 0 311.341 3.483 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000344330228 254257541 /nfs/dbraw/zinc/25/75/41/254257541.db2.gz NWJOLFUCXZKDJC-JKSUJKDBSA-N 1 0 304.390 3.075 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000344376577 254263884 /nfs/dbraw/zinc/26/38/84/254263884.db2.gz YBUBEEPKRVRMKH-IMMZDGJCSA-N 1 0 316.332 3.070 20 5 DGBDRO CC1(C)C[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000344409343 254267665 /nfs/dbraw/zinc/26/76/65/254267665.db2.gz MRGJLENOPDZKQV-JTQLQIEISA-N 1 0 300.305 3.332 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nccs1 ZINC000344844846 254310508 /nfs/dbraw/zinc/31/05/08/254310508.db2.gz CQQRNKLFSMCPGC-XFXZXTDPSA-N 1 0 303.387 3.287 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000430217176 533137156 /nfs/dbraw/zinc/13/71/56/533137156.db2.gz IRFNEEAIKIWBHB-MRXNPFEDSA-N 1 0 322.405 3.024 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000271455269 208926225 /nfs/dbraw/zinc/92/62/25/208926225.db2.gz GPPWYCMCRUAYEZ-CFVMTHIKSA-N 1 0 306.431 3.401 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000282432539 285228880 /nfs/dbraw/zinc/22/88/80/285228880.db2.gz MKNSDRXIFUHHKB-XHDPSFHLSA-N 1 0 300.362 3.057 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000153828556 196912665 /nfs/dbraw/zinc/91/26/65/196912665.db2.gz VYSKXGQYNSHKIH-SUMWQHHRSA-N 1 0 300.358 3.287 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCCOC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000120600127 195198595 /nfs/dbraw/zinc/19/85/95/195198595.db2.gz RZSXEUHUWGHJSM-HOCLYGCPSA-N 1 0 322.405 3.140 20 5 DGBDRO Cc1ccccc1OCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000302802127 285278844 /nfs/dbraw/zinc/27/88/44/285278844.db2.gz BREYNOQPQUXPAS-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C2 ZINC000289691513 221158414 /nfs/dbraw/zinc/15/84/14/221158414.db2.gz SMRNEYZXSSRLCX-CYBMUJFWSA-N 1 0 304.371 3.058 20 5 DGBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289880647 221289490 /nfs/dbraw/zinc/28/94/90/221289490.db2.gz RVLVNNBCZAATJT-VXGBXAGGSA-N 1 0 304.346 3.368 20 5 DGBDRO COC(=O)CCCCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000289879293 221286961 /nfs/dbraw/zinc/28/69/61/221286961.db2.gz RXLOELUJEPFFSJ-CQSZACIVSA-N 1 0 322.405 3.239 20 5 DGBDRO COc1cncc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000289962935 221345274 /nfs/dbraw/zinc/34/52/74/221345274.db2.gz PUBSDQCEQOFNDZ-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289983225 221359763 /nfs/dbraw/zinc/35/97/63/221359763.db2.gz ZXLYPTBEGDRQNO-NEPJUHHUSA-N 1 0 304.346 3.368 20 5 DGBDRO Cc1ncsc1CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000295054949 224407081 /nfs/dbraw/zinc/40/70/81/224407081.db2.gz PVUNVPCOGWYVON-GQCTYLIASA-N 1 0 303.387 3.205 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@H](C)CC[C@H]1C ZINC000122977501 195527929 /nfs/dbraw/zinc/52/79/29/195527929.db2.gz CFOAYFIXHQUVGQ-CHWSQXEVSA-N 1 0 305.378 3.105 20 5 DGBDRO COc1ccccc1C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000126058408 195806681 /nfs/dbraw/zinc/80/66/81/195806681.db2.gz QEOLDDAGEHPMJW-CYBMUJFWSA-N 1 0 300.358 3.324 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC[C@H](C)C1 ZINC000468636381 533408217 /nfs/dbraw/zinc/40/82/17/533408217.db2.gz AGBKSCZSGKCWQN-KFXIKWRMSA-N 1 0 317.433 3.320 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000468616107 533409965 /nfs/dbraw/zinc/40/99/65/533409965.db2.gz AZSACAYUEQYWFP-YGDNYVJYSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1cccc([N+](=O)[O-])c1 ZINC000433327787 533441679 /nfs/dbraw/zinc/44/16/79/533441679.db2.gz QDBQCZSPIYPXKQ-LLVKDONJSA-N 1 0 312.329 3.429 20 5 DGBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000294987758 533477364 /nfs/dbraw/zinc/47/73/64/533477364.db2.gz HDSUTXNXXXTZPY-LBPRGKRZSA-N 1 0 318.373 3.494 20 5 DGBDRO C[C@@H](CC(C)(C)O)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296659057 533478876 /nfs/dbraw/zinc/47/88/76/533478876.db2.gz ZPOMEZVWWRDKDH-SWLSCSKDSA-N 1 0 306.406 3.055 20 5 DGBDRO C[C@@H](CCCCO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296348806 533547855 /nfs/dbraw/zinc/54/78/55/533547855.db2.gz IEECMFUSQBEVLP-BBRMVZONSA-N 1 0 306.406 3.057 20 5 DGBDRO COc1cccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433809664 533618847 /nfs/dbraw/zinc/61/88/47/533618847.db2.gz WCJCUFHRNLBABK-CYBMUJFWSA-N 1 0 305.378 3.032 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000271485997 129922929 /nfs/dbraw/zinc/92/29/29/129922929.db2.gz DWMJSRVSSGJPNL-RDBSUJKOSA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000272229666 130010164 /nfs/dbraw/zinc/01/01/64/130010164.db2.gz JPKHTZJPSXBVNF-DZGCQCFKSA-N 1 0 319.408 3.197 20 5 DGBDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595043228 400086783 /nfs/dbraw/zinc/08/67/83/400086783.db2.gz VHYGAFPTALBUQV-HWWQOWPSSA-N 1 0 310.394 3.315 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CCCC[NH+](C)C ZINC000616122753 400087898 /nfs/dbraw/zinc/08/78/98/400087898.db2.gz OHFQKALFRYKFQZ-UHFFFAOYSA-N 1 0 322.409 3.017 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1CO)CCC2 ZINC000584699744 400089745 /nfs/dbraw/zinc/08/97/45/400089745.db2.gz IFJGLMVEXNECSY-SFHVURJKSA-N 1 0 312.369 3.254 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)OCC1CC1 ZINC000595052039 400090327 /nfs/dbraw/zinc/09/03/27/400090327.db2.gz QDJPVXTYMBBGBB-GFCCVEGCSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCC(OC)CC1 ZINC000595052936 400091172 /nfs/dbraw/zinc/09/11/72/400091172.db2.gz TXHBZTUJHHSPGS-DCBWTQNWSA-N 1 0 308.378 3.212 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595079506 400100579 /nfs/dbraw/zinc/10/05/79/400100579.db2.gz DYMAHKLWUOHKBD-IAQYHMDHSA-N 1 0 305.378 3.090 20 5 DGBDRO Cc1c([C@H](C)[NH2+]Cc2c(C3CC3)cnn2C)cccc1[N+](=O)[O-] ZINC000595076085 400100909 /nfs/dbraw/zinc/10/09/09/400100909.db2.gz DLCKPLBHZWXCSH-LBPRGKRZSA-N 1 0 314.389 3.365 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@H](CO)CC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000595087750 400101557 /nfs/dbraw/zinc/10/15/57/400101557.db2.gz CUCMAUXMIJYPBZ-CXAGYDPISA-N 1 0 318.417 3.315 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C)C1 ZINC000007340594 400102582 /nfs/dbraw/zinc/10/25/82/400102582.db2.gz OYEXZCPTXPLTBL-RYUDHWBXSA-N 1 0 316.361 3.438 20 5 DGBDRO CC(C)CC1([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595095329 400104038 /nfs/dbraw/zinc/10/40/38/400104038.db2.gz KDCSOUVULWCHJA-ZDUSSCGKSA-N 1 0 319.405 3.480 20 5 DGBDRO O=c1cc(C[N@H+]2CCC[C@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000007449616 400104653 /nfs/dbraw/zinc/10/46/53/400104653.db2.gz KZPYIIHVOGIAQW-AWEZNQCLSA-N 1 0 323.392 3.151 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC1(C)C ZINC000595105390 400107917 /nfs/dbraw/zinc/10/79/17/400107917.db2.gz GBKYRHBEWNFAAD-DZGCQCFKSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1nccn1C ZINC000595109308 400108780 /nfs/dbraw/zinc/10/87/80/400108780.db2.gz WHNLEEKWSCQVSP-DOMZBBRYSA-N 1 0 314.389 3.000 20 5 DGBDRO CC1(C)OCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595109105 400108929 /nfs/dbraw/zinc/10/89/29/400108929.db2.gz UDWRFFDXGFTSHL-CVEARBPZSA-N 1 0 318.417 3.321 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CC(C)(C)OC ZINC000595024839 400079524 /nfs/dbraw/zinc/07/95/24/400079524.db2.gz HMKMDVJWQACRJV-NEPJUHHUSA-N 1 0 310.394 3.458 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000595026855 400080333 /nfs/dbraw/zinc/08/03/33/400080333.db2.gz NQHZSGLKLKUMOM-INIZCTEOSA-N 1 0 314.389 3.239 20 5 DGBDRO CCOCCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595033140 400082784 /nfs/dbraw/zinc/08/27/84/400082784.db2.gz BLBACRZJLAMQSP-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507948 400172106 /nfs/dbraw/zinc/17/21/06/400172106.db2.gz SCCLGTRPRVHGQY-PBHICJAKSA-N 1 0 303.406 3.074 20 5 DGBDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595519507 400175956 /nfs/dbraw/zinc/17/59/56/400175956.db2.gz KSPOHXMMDIMGHP-LSDHHAIUSA-N 1 0 308.353 3.123 20 5 DGBDRO Cc1ccnc(N2CCC(C[NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000609669828 400184792 /nfs/dbraw/zinc/18/47/92/400184792.db2.gz QJQBVBBKWJMSCF-UHFFFAOYSA-N 1 0 318.421 3.001 20 5 DGBDRO CC(C)[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000595295713 400120908 /nfs/dbraw/zinc/12/09/08/400120908.db2.gz QAYZIXFEPRBNIL-CQSZACIVSA-N 1 0 314.332 3.229 20 5 DGBDRO CC1(C)C[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CO1 ZINC000595330716 400128810 /nfs/dbraw/zinc/12/88/10/400128810.db2.gz NYCLJUYPTQNEDH-CQSZACIVSA-N 1 0 320.389 3.006 20 5 DGBDRO Cc1noc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595338202 400130927 /nfs/dbraw/zinc/13/09/27/400130927.db2.gz HERWCDIDEWGRNZ-GFCCVEGCSA-N 1 0 305.309 3.020 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000595418398 400142969 /nfs/dbraw/zinc/14/29/69/400142969.db2.gz PUOOZSDERDHGMX-INIZCTEOSA-N 1 0 318.348 3.337 20 5 DGBDRO COc1cccc2c1CCN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595426020 400145230 /nfs/dbraw/zinc/14/52/30/400145230.db2.gz OBDNZHJAGOBLQO-UHFFFAOYSA-N 1 0 316.332 3.301 20 5 DGBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC[C@@H]1CCc3ccccc31)CC2 ZINC000595424443 400145303 /nfs/dbraw/zinc/14/53/03/400145303.db2.gz MQUDQBLXVOUNMS-HNNXBMFYSA-N 1 0 323.396 3.468 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000316490354 400150081 /nfs/dbraw/zinc/15/00/81/400150081.db2.gz XXXCFTFLKPBOHE-CABCVRRESA-N 1 0 323.824 3.355 20 5 DGBDRO COCC[C@H]1CCCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595442469 400152106 /nfs/dbraw/zinc/15/21/06/400152106.db2.gz SARFYBIIPZNXGY-CYBMUJFWSA-N 1 0 310.369 3.373 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000595455260 400156607 /nfs/dbraw/zinc/15/66/07/400156607.db2.gz RTOKFPFWIJXDCU-BMFZPTHFSA-N 1 0 320.364 3.171 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000595559456 400187663 /nfs/dbraw/zinc/18/76/63/400187663.db2.gz SHJQCNWVZBTION-INIZCTEOSA-N 1 0 322.380 3.177 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000320350297 400165663 /nfs/dbraw/zinc/16/56/63/400165663.db2.gz KUZSOMHECNAYRM-CYBMUJFWSA-N 1 0 314.389 3.285 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[N@H+](C)C1CC1 ZINC000092649561 400188155 /nfs/dbraw/zinc/18/81/55/400188155.db2.gz WIMWLVBMWANALN-NSHDSACASA-N 1 0 300.362 3.038 20 5 DGBDRO Cc1c(C(=O)Nc2ccccc2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000024810146 400224247 /nfs/dbraw/zinc/22/42/47/400224247.db2.gz FSNZNEQPXNEZCM-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000610420553 400255934 /nfs/dbraw/zinc/25/59/34/400255934.db2.gz QZMNURMLIRRBJB-JKIFEVAISA-N 1 0 314.385 3.410 20 5 DGBDRO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000025407637 400234609 /nfs/dbraw/zinc/23/46/09/400234609.db2.gz SRTHXHUYMUMUBU-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000588977585 400252260 /nfs/dbraw/zinc/25/22/60/400252260.db2.gz CSQRDUKJSTVFQA-AWEZNQCLSA-N 1 0 320.389 3.104 20 5 DGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)C(C)C ZINC000067661281 400191483 /nfs/dbraw/zinc/19/14/83/400191483.db2.gz NXKBPYRUPOYUIE-GFCCVEGCSA-N 1 0 308.378 3.328 20 5 DGBDRO CC[C@H](C)[N@H+](CC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000595600156 400198654 /nfs/dbraw/zinc/19/86/54/400198654.db2.gz MUDYWCJCCYQFEW-LBPRGKRZSA-N 1 0 307.394 3.352 20 5 DGBDRO CC(C)(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccsc1 ZINC000595600839 400198911 /nfs/dbraw/zinc/19/89/11/400198911.db2.gz KLCQMXKZOXZWHI-UHFFFAOYSA-N 1 0 308.407 3.154 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCCCCC1 ZINC000026155943 400254230 /nfs/dbraw/zinc/25/42/30/400254230.db2.gz GCRUTYMIMDTEOZ-UHFFFAOYSA-N 1 0 305.378 3.108 20 5 DGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000595766690 400254408 /nfs/dbraw/zinc/25/44/08/400254408.db2.gz YXZIAXKLAWDKQX-AWEZNQCLSA-N 1 0 305.378 3.010 20 5 DGBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](O)C1CC1 ZINC000589196487 400273590 /nfs/dbraw/zinc/27/35/90/400273590.db2.gz HUPYHCNJARTWDX-MRXNPFEDSA-N 1 0 316.357 3.058 20 5 DGBDRO CC(C)CC1([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000595832730 400274172 /nfs/dbraw/zinc/27/41/72/400274172.db2.gz YIFYALUDKBFXBZ-UHFFFAOYSA-N 1 0 316.361 3.313 20 5 DGBDRO Cc1c(C[NH+]2CCC(c3ccon3)CC2)cccc1[N+](=O)[O-] ZINC000595837647 400277045 /nfs/dbraw/zinc/27/70/45/400277045.db2.gz PXDSQTCDWWWQDJ-UHFFFAOYSA-N 1 0 301.346 3.271 20 5 DGBDRO CC[NH+]1CCC(CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000068722503 400281714 /nfs/dbraw/zinc/28/17/14/400281714.db2.gz KZTBOWJBQYDOQX-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595858889 400282507 /nfs/dbraw/zinc/28/25/07/400282507.db2.gz ZRSTXRGWTOXKGT-SFESLNEESA-N 1 0 317.389 3.186 20 5 DGBDRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000030269498 400323266 /nfs/dbraw/zinc/32/32/66/400323266.db2.gz IYVCAHMBGCWCGD-LBPRGKRZSA-N 1 0 323.393 3.052 20 5 DGBDRO CCOc1cc(N[C@H](CC)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000610715925 400295182 /nfs/dbraw/zinc/29/51/82/400295182.db2.gz FQNVKKLUAGTHKE-CYBMUJFWSA-N 1 0 307.394 3.280 20 5 DGBDRO COC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102418985 400297927 /nfs/dbraw/zinc/29/79/27/400297927.db2.gz OZSBWOVMYOVXTB-NSHDSACASA-N 1 0 306.387 3.448 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596058027 400305945 /nfs/dbraw/zinc/30/59/45/400305945.db2.gz BFNCBNJDGRMVPI-INIZCTEOSA-N 1 0 317.433 3.115 20 5 DGBDRO CCn1nccc1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000596063018 400307306 /nfs/dbraw/zinc/30/73/06/400307306.db2.gz WNODBAAMPMAVTO-UHFFFAOYSA-N 1 0 302.378 3.224 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000069064175 400308932 /nfs/dbraw/zinc/30/89/32/400308932.db2.gz GDQHFNONHPJPHD-LBPRGKRZSA-N 1 0 322.365 3.035 20 5 DGBDRO CC[N@H+](CCNc1cc(OC)c([N+](=O)[O-])cc1Cl)C1CC1 ZINC000596109150 400319340 /nfs/dbraw/zinc/31/93/40/400319340.db2.gz LEIAPCFICOJCBV-UHFFFAOYSA-N 1 0 313.785 3.153 20 5 DGBDRO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000030142145 400321131 /nfs/dbraw/zinc/32/11/31/400321131.db2.gz NCNSCXUYQSVJSK-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595789797 400261053 /nfs/dbraw/zinc/26/10/53/400261053.db2.gz OKQYKUFFVRSAKL-RDJZCZTQSA-N 1 0 304.390 3.376 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000611350376 400383144 /nfs/dbraw/zinc/38/31/44/400383144.db2.gz KIQHTTVFNFYOFN-DLBZAZTESA-N 1 0 318.417 3.276 20 5 DGBDRO Cc1cc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000596146504 400330005 /nfs/dbraw/zinc/33/00/05/400330005.db2.gz CEDVDBSIGMLJNL-ZDUSSCGKSA-N 1 0 309.435 3.133 20 5 DGBDRO Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596170870 400339144 /nfs/dbraw/zinc/33/91/44/400339144.db2.gz YKLFVZIOMBPUHG-OCCSQVGLSA-N 1 0 321.446 3.418 20 5 DGBDRO Cc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC000596174061 400340734 /nfs/dbraw/zinc/34/07/34/400340734.db2.gz HDTHAJZVTXESRW-CYBMUJFWSA-N 1 0 309.435 3.133 20 5 DGBDRO COc1cc(NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1C ZINC000596218300 400352695 /nfs/dbraw/zinc/35/26/95/400352695.db2.gz XQMNQJINZPNHKV-UHFFFAOYSA-N 1 0 319.405 3.341 20 5 DGBDRO COc1ccc(OC[C@@H]2CCCC[N@@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000596239701 400357973 /nfs/dbraw/zinc/35/79/73/400357973.db2.gz JYWSBKZKIGRFRA-ZDUSSCGKSA-N 1 0 308.378 3.245 20 5 DGBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ncccc1[N+](=O)[O-])CC2 ZINC000596255751 400362574 /nfs/dbraw/zinc/36/25/74/400362574.db2.gz SVFUJZWMOYEIJE-UHFFFAOYSA-N 1 0 318.421 3.081 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc(O)c2Cl)cc1 ZINC000590184500 400368096 /nfs/dbraw/zinc/36/80/96/400368096.db2.gz CDMXYNONTQLFCQ-UHFFFAOYSA-N 1 0 322.748 3.122 20 5 DGBDRO C[C@@H](Cc1cccs1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000071269757 400369608 /nfs/dbraw/zinc/36/96/08/400369608.db2.gz SIRICNNQYWHIKF-LBPRGKRZSA-N 1 0 306.387 3.256 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611268330 400370202 /nfs/dbraw/zinc/37/02/02/400370202.db2.gz YWQPHSYKAJDUTN-INIZCTEOSA-N 1 0 320.389 3.377 20 5 DGBDRO C[C@H]1COCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611272347 400371221 /nfs/dbraw/zinc/37/12/21/400371221.db2.gz ANEBNYVQLZNMPZ-ZDUSSCGKSA-N 1 0 316.357 3.466 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1C3CCCC1CCC3)OCCO2 ZINC000611273993 400371498 /nfs/dbraw/zinc/37/14/98/400371498.db2.gz DXSWJMZCOPULFS-UHFFFAOYSA-N 1 0 318.373 3.273 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596297713 400374021 /nfs/dbraw/zinc/37/40/21/400374021.db2.gz GOSLNXIBUFHYOT-JGZJWPJOSA-N 1 0 317.311 3.366 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000596305815 400374953 /nfs/dbraw/zinc/37/49/53/400374953.db2.gz APPUDKWYRHZBSN-SNVBAGLBSA-N 1 0 312.801 3.176 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(OC[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000596306063 400375741 /nfs/dbraw/zinc/37/57/41/400375741.db2.gz YOEPGNPDLFSWMT-ZDUSSCGKSA-N 1 0 308.378 3.245 20 5 DGBDRO C[C@H](CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[NH+](C)C ZINC000596428630 400413646 /nfs/dbraw/zinc/41/36/46/400413646.db2.gz FWUVVOWRTZYLEZ-SECBINFHSA-N 1 0 305.300 3.366 20 5 DGBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115521459 400399119 /nfs/dbraw/zinc/39/91/19/400399119.db2.gz VXTWQDKZJJFTKD-CABCVRRESA-N 1 0 321.421 3.144 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000611433555 400400663 /nfs/dbraw/zinc/40/06/63/400400663.db2.gz MWGZOFSQWXIJBN-OAHLLOKOSA-N 1 0 319.405 3.142 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000611464403 400405896 /nfs/dbraw/zinc/40/58/96/400405896.db2.gz MONHXTVNZQQFEF-VIFPVBQESA-N 1 0 322.258 3.474 20 5 DGBDRO CC[NH+](CC)Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000072883541 400411613 /nfs/dbraw/zinc/41/16/13/400411613.db2.gz UARNHAOBLUBJSO-UHFFFAOYSA-N 1 0 314.389 3.444 20 5 DGBDRO CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000117344881 400416387 /nfs/dbraw/zinc/41/63/87/400416387.db2.gz UVFTYRIZPBPBCA-CYBMUJFWSA-N 1 0 320.389 3.473 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc(O)cc2)cc1 ZINC000611526603 400416398 /nfs/dbraw/zinc/41/63/98/400416398.db2.gz WMBKCWPJQJKXTA-UHFFFAOYSA-N 1 0 300.358 3.413 20 5 DGBDRO CCC[N@@H+]1CC[C@H](Nc2ccc(C(=O)CC)cc2[N+](=O)[O-])C1 ZINC000596518012 400435671 /nfs/dbraw/zinc/43/56/71/400435671.db2.gz SIVYZKRIEBMBMO-ZDUSSCGKSA-N 1 0 305.378 3.084 20 5 DGBDRO CCO[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000590756970 400429466 /nfs/dbraw/zinc/42/94/66/400429466.db2.gz VDXOZKGRJABSTD-WMLDXEAASA-N 1 0 322.405 3.111 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000074311676 400503414 /nfs/dbraw/zinc/50/34/14/400503414.db2.gz JXQJOCMBQWYVFW-SFHVURJKSA-N 1 0 312.369 3.077 20 5 DGBDRO Cc1ccsc1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602584174 400505465 /nfs/dbraw/zinc/50/54/65/400505465.db2.gz XNRCVKBNIGNCHS-UHFFFAOYSA-N 1 0 317.370 3.438 20 5 DGBDRO C[C@]1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000612203493 400507485 /nfs/dbraw/zinc/50/74/85/400507485.db2.gz BBZLSYWUWZHZQK-FJKMSNPNSA-N 1 0 302.374 3.155 20 5 DGBDRO O=C(CC[N@@H+]1CC[C@H](C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591061638 400480948 /nfs/dbraw/zinc/48/09/48/400480948.db2.gz AXQVDNLRNOEBCM-AWEZNQCLSA-N 1 0 317.389 3.045 20 5 DGBDRO COc1ccc(C[NH2+]Cc2c(C)cccc2OC)cc1[N+](=O)[O-] ZINC000602530630 400489832 /nfs/dbraw/zinc/48/98/32/400489832.db2.gz UQHAUYUCAPNQAI-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602564096 400498049 /nfs/dbraw/zinc/49/80/49/400498049.db2.gz LJQJAENCQKVEDL-TVQRCGJNSA-N 1 0 320.311 3.110 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+]C2(C3CC3)CC2)cc1Br ZINC000602566505 400498103 /nfs/dbraw/zinc/49/81/03/400498103.db2.gz IFFTWMJRQXIBLT-UHFFFAOYSA-N 1 0 317.208 3.451 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133492141 400571022 /nfs/dbraw/zinc/57/10/22/400571022.db2.gz FPJIIUFXQUUNPF-VXGBXAGGSA-N 1 0 312.373 3.180 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444783 400527356 /nfs/dbraw/zinc/52/73/56/400527356.db2.gz WGJFSYJRDXLGPY-NWDGAFQWSA-N 1 0 309.797 3.074 20 5 DGBDRO Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000074725794 400530475 /nfs/dbraw/zinc/53/04/75/400530475.db2.gz ZSYCORBBCRMIBJ-CQSZACIVSA-N 1 0 316.361 3.140 20 5 DGBDRO Cc1cc(NCCCCC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000074750381 400532924 /nfs/dbraw/zinc/53/29/24/400532924.db2.gz XAEBWPMTDJISSW-UHFFFAOYSA-N 1 0 306.410 3.366 20 5 DGBDRO CCOC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000602674055 400534435 /nfs/dbraw/zinc/53/44/35/400534435.db2.gz GLLKSXZAMMQIBT-UHFFFAOYSA-N 1 0 319.361 3.175 20 5 DGBDRO CO[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000602677647 400535325 /nfs/dbraw/zinc/53/53/25/400535325.db2.gz XOCSJCSTRPGHEI-CYBMUJFWSA-N 1 0 318.295 3.128 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H](C4CC4)[C@H]3C3CC3)nc2c1 ZINC000602683660 400537582 /nfs/dbraw/zinc/53/75/82/400537582.db2.gz QWTZGYNBAAYRFP-SUMWQHHRSA-N 1 0 313.357 3.356 20 5 DGBDRO CC1(C)C[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602687314 400539519 /nfs/dbraw/zinc/53/95/19/400539519.db2.gz KNRGSFXDRSRAPZ-LLVKDONJSA-N 1 0 319.361 3.031 20 5 DGBDRO CC[NH2+]CCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591577189 400541181 /nfs/dbraw/zinc/54/11/81/400541181.db2.gz YNZUYYRWFJBAMR-GOSISDBHSA-N 1 0 313.401 3.273 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000602756907 400565321 /nfs/dbraw/zinc/56/53/21/400565321.db2.gz AYRRLNOORDKWFB-MRXNPFEDSA-N 1 0 314.389 3.245 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000602764845 400567451 /nfs/dbraw/zinc/56/74/51/400567451.db2.gz ZSMHBRMAFVBXOJ-QEJZJMRPSA-N 1 0 306.410 3.000 20 5 DGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000075899868 400620899 /nfs/dbraw/zinc/62/08/99/400620899.db2.gz IOEQOWOODBKXSL-INIZCTEOSA-N 1 0 300.358 3.150 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(CO)cc2)cccc1[N+](=O)[O-] ZINC000592392885 400643586 /nfs/dbraw/zinc/64/35/86/400643586.db2.gz CHOKOKSCUMPPJA-CYBMUJFWSA-N 1 0 300.358 3.246 20 5 DGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357173 400637471 /nfs/dbraw/zinc/63/74/71/400637471.db2.gz SHJLMFHKENAECA-BXKDBHETSA-N 1 0 320.374 3.256 20 5 DGBDRO CSC[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000135477445 400586767 /nfs/dbraw/zinc/58/67/67/400586767.db2.gz CIEURLDVHRZIKA-CQSZACIVSA-N 1 0 310.419 3.191 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000597203960 400587547 /nfs/dbraw/zinc/58/75/47/400587547.db2.gz AZIBEFYUSFTBLO-MDNBWPLSSA-N 1 0 316.401 3.235 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1=CCCOC1 ZINC000597205028 400587569 /nfs/dbraw/zinc/58/75/69/400587569.db2.gz CBOQCEIWPFSCEX-ZROIWOOFSA-N 1 0 302.374 3.277 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000602841169 400587818 /nfs/dbraw/zinc/58/78/18/400587818.db2.gz RRQVOZRSLRXLTN-SNVBAGLBSA-N 1 0 308.769 3.104 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1nnc(C)s1 ZINC000597243145 400598182 /nfs/dbraw/zinc/59/81/82/400598182.db2.gz FOPCUXJWRPKYHV-YRNVUSSQSA-N 1 0 318.402 3.290 20 5 DGBDRO Cc1noc(C2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000075646110 400599935 /nfs/dbraw/zinc/59/99/35/400599935.db2.gz XPSWGTNQKCFLCN-NSHDSACASA-N 1 0 316.361 3.227 20 5 DGBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000592408671 400647294 /nfs/dbraw/zinc/64/72/94/400647294.db2.gz GHSKSNHUWSGEGI-UHFFFAOYSA-N 1 0 317.345 3.282 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C/C=C\c3ccccc3)CC2)n1 ZINC000618761704 400684158 /nfs/dbraw/zinc/68/41/58/400684158.db2.gz ZGIHWVHMWDOZDS-DAXSKMNVSA-N 1 0 312.373 3.142 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157668323 400718383 /nfs/dbraw/zinc/71/83/83/400718383.db2.gz CFTMPXHAEZZISL-QWRGUYRKSA-N 1 0 316.361 3.484 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000603864495 400725872 /nfs/dbraw/zinc/72/58/72/400725872.db2.gz HGMGLBTZMYVKAT-IRXDYDNUSA-N 1 0 323.396 3.163 20 5 DGBDRO CC[NH+](CC)Cc1cccc(CNc2cccnc2[N+](=O)[O-])c1 ZINC000603866248 400726027 /nfs/dbraw/zinc/72/60/27/400726027.db2.gz PTZYAOOSKCYVIT-UHFFFAOYSA-N 1 0 314.389 3.444 20 5 DGBDRO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000052873199 400751400 /nfs/dbraw/zinc/75/14/00/400751400.db2.gz LPRJGIOHXPBLKJ-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO C[C@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000613425779 400715982 /nfs/dbraw/zinc/71/59/82/400715982.db2.gz KULFXDOZXIVRJN-QBWLCUQFSA-N 1 0 316.401 3.403 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000078562429 400809182 /nfs/dbraw/zinc/80/91/82/400809182.db2.gz QRCBONSWSAZJSK-GFCCVEGCSA-N 1 0 311.813 3.416 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000604487134 400780081 /nfs/dbraw/zinc/78/00/81/400780081.db2.gz MAFYYBNILUPZTK-UHFFFAOYSA-N 1 0 304.394 3.056 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCN2CCCc3ccccc32)c1 ZINC000604532663 400784874 /nfs/dbraw/zinc/78/48/74/400784874.db2.gz NISXODBCIOACAL-UHFFFAOYSA-N 1 0 311.385 3.137 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000078424834 400799018 /nfs/dbraw/zinc/79/90/18/400799018.db2.gz YSIUPFYKJURXDP-CYBMUJFWSA-N 1 0 307.369 3.046 20 5 DGBDRO CC(C)O[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000593660324 400888005 /nfs/dbraw/zinc/88/80/05/400888005.db2.gz PCTOEERZAVGYLV-CDVVCGDMSA-N 1 0 304.390 3.497 20 5 DGBDRO Cc1nccnc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000598676136 400855250 /nfs/dbraw/zinc/85/52/50/400855250.db2.gz NSXSFCRIZAGYNA-HNNXBMFYSA-N 1 0 312.373 3.073 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000599056627 400941569 /nfs/dbraw/zinc/94/15/69/400941569.db2.gz KUKBYSQPRLUFBZ-ZIAGYGMSSA-N 1 0 322.405 3.461 20 5 DGBDRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)OCC ZINC000599057960 400942516 /nfs/dbraw/zinc/94/25/16/400942516.db2.gz DHDICTYJPDZBRX-JSGCOSHPSA-N 1 0 310.394 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cccnc1C ZINC000599072463 400949965 /nfs/dbraw/zinc/94/99/65/400949965.db2.gz FDSDAKBUSDIYDD-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000079723818 400890949 /nfs/dbraw/zinc/89/09/49/400890949.db2.gz VDZMKHGOKFTMNN-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO C[C@@H](COCC1CC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000593722513 400899241 /nfs/dbraw/zinc/89/92/41/400899241.db2.gz STEOMMMZECBKJH-SJCJKPOMSA-N 1 0 304.390 3.377 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CC3(CCC3)C2)n1 ZINC000593722173 400899379 /nfs/dbraw/zinc/89/93/79/400899379.db2.gz VFWFUJGCJQXTSW-KGLIPLIRSA-N 1 0 304.394 3.197 20 5 DGBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[C@H]2C[C@H]2C1 ZINC000599077978 400952539 /nfs/dbraw/zinc/95/25/39/400952539.db2.gz CFPANBDDMMUNNX-YCCFLXJFSA-N 1 0 318.421 3.301 20 5 DGBDRO CC[NH+](CC)Cc1cccc(CNc2ncccc2[N+](=O)[O-])c1 ZINC000079941678 400907382 /nfs/dbraw/zinc/90/73/82/400907382.db2.gz IRAAAGDDMQGSIX-UHFFFAOYSA-N 1 0 314.389 3.444 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000598991772 400921607 /nfs/dbraw/zinc/92/16/07/400921607.db2.gz HGZAVYQTXNJOEX-KRWDZBQOSA-N 1 0 317.433 3.400 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599038341 400934106 /nfs/dbraw/zinc/93/41/06/400934106.db2.gz OZNZWLXUHHYJQV-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO COC(=O)CC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000599045321 400936295 /nfs/dbraw/zinc/93/62/95/400936295.db2.gz WCGVGLFTLJYTPD-UHFFFAOYSA-N 1 0 320.389 3.115 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000358196922 285995266 /nfs/dbraw/zinc/99/52/66/285995266.db2.gz FVHQWSMDLNCNTK-CYBMUJFWSA-N 1 0 302.378 3.002 20 5 DGBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599164029 400982637 /nfs/dbraw/zinc/98/26/37/400982637.db2.gz HZYLYCQAUMBAOB-ZDUSSCGKSA-N 1 0 305.378 3.032 20 5 DGBDRO COc1ccc(-c2ccc(C[NH2+]CCSC)o2)c([N+](=O)[O-])c1 ZINC000237288197 400987383 /nfs/dbraw/zinc/98/73/83/400987383.db2.gz IMULUFZZAZXBJN-UHFFFAOYSA-N 1 0 322.386 3.316 20 5 DGBDRO CCC[C@H]([NH2+]CCN(C)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599089849 400956912 /nfs/dbraw/zinc/95/69/12/400956912.db2.gz OUDVLERXZLCAJR-AWEZNQCLSA-N 1 0 315.364 3.223 20 5 DGBDRO C[C@]1(C(F)F)CN(c2ccc3cnccc3c2[N+](=O)[O-])CCO1 ZINC000599112406 400963542 /nfs/dbraw/zinc/96/35/42/400963542.db2.gz ZQEVFOMURNAVIZ-OAHLLOKOSA-N 1 0 323.299 3.003 20 5 DGBDRO C[N@@H+]1CCCC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000599140246 400973788 /nfs/dbraw/zinc/97/37/88/400973788.db2.gz ANIVLLJVGFMQHH-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000057156490 400976772 /nfs/dbraw/zinc/97/67/72/400976772.db2.gz LCOJMJJWNCGNRK-CQSZACIVSA-N 1 0 321.421 3.144 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000080676931 400977914 /nfs/dbraw/zinc/97/79/14/400977914.db2.gz NXFWDOXUSHYKSD-CQSZACIVSA-N 1 0 320.780 3.358 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCOC)CC1 ZINC000599506475 401062639 /nfs/dbraw/zinc/06/26/39/401062639.db2.gz CIPKRRJSQZIWCI-UHFFFAOYSA-N 1 0 322.405 3.242 20 5 DGBDRO COc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000599552942 401074716 /nfs/dbraw/zinc/07/47/16/401074716.db2.gz LCEHECXYXWFYOU-OLZOCXBDSA-N 1 0 308.403 3.073 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCNc1ccccn1 ZINC000594496147 401079706 /nfs/dbraw/zinc/07/97/06/401079706.db2.gz ILMLZJGXZPJWAK-OAHLLOKOSA-N 1 0 312.373 3.069 20 5 DGBDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1 ZINC000594496867 401079884 /nfs/dbraw/zinc/07/98/84/401079884.db2.gz XZCKJQMIJNXVBJ-CVEARBPZSA-N 1 0 304.390 3.377 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(CO)CCCCC1 ZINC000594498241 401081724 /nfs/dbraw/zinc/08/17/24/401081724.db2.gz IHCHFCAPXUBHES-OAHLLOKOSA-N 1 0 304.390 3.115 20 5 DGBDRO CCC(CC)[C@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000599657291 401104103 /nfs/dbraw/zinc/10/41/03/401104103.db2.gz FAZPSPTZNUTGCL-KRWDZBQOSA-N 1 0 321.421 3.144 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH+](CC3CC3)CC3CC3)nc2c1 ZINC000083174618 401113316 /nfs/dbraw/zinc/11/33/16/401113316.db2.gz MELJJFXQKKSURR-UHFFFAOYSA-N 1 0 301.346 3.358 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN1CCOc2cc(F)ccc2C1 ZINC000599686639 401115005 /nfs/dbraw/zinc/11/50/05/401115005.db2.gz GSYSPNGUWZRTTG-UHFFFAOYSA-N 1 0 302.305 3.129 20 5 DGBDRO COc1ccc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599696724 401119768 /nfs/dbraw/zinc/11/97/68/401119768.db2.gz GNJIYKBTWHIKKK-KRWDZBQOSA-N 1 0 313.357 3.239 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594601232 401125089 /nfs/dbraw/zinc/12/50/89/401125089.db2.gz MTLOUWMXFPZBOE-RYUDHWBXSA-N 1 0 310.785 3.072 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594599961 401125797 /nfs/dbraw/zinc/12/57/97/401125797.db2.gz KUTRQYUYDDRICV-ZFWWWQNUSA-N 1 0 305.378 3.032 20 5 DGBDRO COCC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000273298823 401139337 /nfs/dbraw/zinc/13/93/37/401139337.db2.gz NTRXBEXSKYMDHQ-INIZCTEOSA-N 1 0 318.373 3.406 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000594514347 401090377 /nfs/dbraw/zinc/09/03/77/401090377.db2.gz OAWAMCWHJBSHLI-RYUDHWBXSA-N 1 0 308.378 3.223 20 5 DGBDRO CC(C)[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594518705 401095940 /nfs/dbraw/zinc/09/59/40/401095940.db2.gz KLVOERNKLCYBAO-AWEZNQCLSA-N 1 0 322.405 3.298 20 5 DGBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cc(C)ccc1C ZINC000599639789 401099433 /nfs/dbraw/zinc/09/94/33/401099433.db2.gz BUDDMZKCNYOXHR-OAHLLOKOSA-N 1 0 302.378 3.149 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)CC(C)(C)C ZINC000615835582 401160624 /nfs/dbraw/zinc/16/06/24/401160624.db2.gz STJLXKMXEBRYRS-UVTDQMKNSA-N 1 0 306.406 3.339 20 5 DGBDRO CCOC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000615833471 401161503 /nfs/dbraw/zinc/16/15/03/401161503.db2.gz MHJUULYJVBAOPI-KAMYIIQDSA-N 1 0 304.390 3.499 20 5 DGBDRO CO[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000615837570 401161585 /nfs/dbraw/zinc/16/15/85/401161585.db2.gz FPPHEDQJGLUWRB-GWKQRERASA-N 1 0 304.390 3.499 20 5 DGBDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000358315948 286029574 /nfs/dbraw/zinc/02/95/74/286029574.db2.gz IAOSIUOPQWWNMQ-KRWDZBQOSA-N 1 0 316.405 3.477 20 5 DGBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000594996981 401224440 /nfs/dbraw/zinc/22/44/40/401224440.db2.gz WRHOSUSMGJRSJP-CVEARBPZSA-N 1 0 302.330 3.122 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[NH+]1CCCCCC1 ZINC000595004474 401225084 /nfs/dbraw/zinc/22/50/84/401225084.db2.gz SOOAKCUZVWNUOF-AWEZNQCLSA-N 1 0 321.421 3.130 20 5 DGBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000600168386 401205355 /nfs/dbraw/zinc/20/53/55/401205355.db2.gz IQSQQTVPOJRRPM-CYBMUJFWSA-N 1 0 318.373 3.448 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(CO)CC1 ZINC000594968024 401213387 /nfs/dbraw/zinc/21/33/87/401213387.db2.gz CXXSDUJXSXHQCY-LBPRGKRZSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H]4C[C@@H]4C3)cs2)c1 ZINC000600191660 401215465 /nfs/dbraw/zinc/21/54/65/401215465.db2.gz LVKILUWNAQTKNE-TXEJJXNPSA-N 1 0 301.371 3.170 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000594979640 401217718 /nfs/dbraw/zinc/21/77/18/401217718.db2.gz KWUSMOFYBWPGGN-OAHLLOKOSA-N 1 0 314.341 3.086 20 5 DGBDRO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000090521147 401267399 /nfs/dbraw/zinc/26/73/99/401267399.db2.gz UTPWOQSTKYCJLJ-CXAGYDPISA-N 1 0 300.358 3.287 20 5 DGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccccc1 ZINC000065535124 401270159 /nfs/dbraw/zinc/27/01/59/401270159.db2.gz BAKNZPFXOBCXQZ-UHFFFAOYSA-N 1 0 300.358 3.148 20 5 DGBDRO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000090779949 401274251 /nfs/dbraw/zinc/27/42/51/401274251.db2.gz XSVXPXXXXBGGPZ-FZKQIMNGSA-N 1 0 312.369 3.079 20 5 DGBDRO C[NH+]1CCC(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000065996828 401289300 /nfs/dbraw/zinc/28/93/00/401289300.db2.gz CMGRVZGSIQJZKM-UHFFFAOYSA-N 1 0 317.311 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CCCCC3)CC2)nc1 ZINC000065946399 401286163 /nfs/dbraw/zinc/28/61/63/401286163.db2.gz FKVIKSVDYODPDR-UHFFFAOYSA-N 1 0 318.421 3.446 20 5 DGBDRO COc1ccccc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089580522 401226855 /nfs/dbraw/zinc/22/68/55/401226855.db2.gz AJLANJIZZORECW-ZDUSSCGKSA-N 1 0 316.357 3.333 20 5 DGBDRO CCC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000089580679 401227678 /nfs/dbraw/zinc/22/76/78/401227678.db2.gz PLMMWAGEEYMVQB-INIZCTEOSA-N 1 0 315.373 3.500 20 5 DGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010128 401229286 /nfs/dbraw/zinc/22/92/86/401229286.db2.gz BVOCQBJGIJZIDQ-JHJVBQTASA-N 1 0 310.394 3.051 20 5 DGBDRO CCC(CC)(CCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010744 401231762 /nfs/dbraw/zinc/23/17/62/401231762.db2.gz DXUUGEYVGORAEB-ZDUSSCGKSA-N 1 0 324.421 3.443 20 5 DGBDRO C[N@H+](CCNc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000064916310 401254166 /nfs/dbraw/zinc/25/41/66/401254166.db2.gz SDNAOPCYVAVXAL-UHFFFAOYSA-N 1 0 303.337 3.278 20 5 DGBDRO Cc1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000065208624 401260871 /nfs/dbraw/zinc/26/08/71/401260871.db2.gz QVQUGBIXRMPHHF-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO Cc1cccc(NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000358390102 286048637 /nfs/dbraw/zinc/04/86/37/286048637.db2.gz WXPKHJVZCGEFBX-CQSZACIVSA-N 1 0 314.389 3.369 20 5 DGBDRO CCCCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000358503399 286079409 /nfs/dbraw/zinc/07/94/09/286079409.db2.gz FUXASJGAJIYRNE-UHFFFAOYSA-N 1 0 302.378 3.190 20 5 DGBDRO CCCCn1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000358519876 286082832 /nfs/dbraw/zinc/08/28/32/286082832.db2.gz UDHHRZQEQLRUDR-UHFFFAOYSA-N 1 0 302.378 3.190 20 5 DGBDRO CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000359027182 286218835 /nfs/dbraw/zinc/21/88/35/286218835.db2.gz NCNSCXUYQSVJSK-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000359027181 286218845 /nfs/dbraw/zinc/21/88/45/286218845.db2.gz NCNSCXUYQSVJSK-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000430204622 286249511 /nfs/dbraw/zinc/24/95/11/286249511.db2.gz RWKHAHVDPAJZMP-GOEBONIOSA-N 1 0 322.430 3.463 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000297380709 286288308 /nfs/dbraw/zinc/28/83/08/286288308.db2.gz IKSFEEKSQYXUKY-CJYSPXJISA-N 1 0 310.419 3.154 20 5 DGBDRO CO[C@@]1(C)CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000359748025 286373454 /nfs/dbraw/zinc/37/34/54/286373454.db2.gz QFHXEMUDOVZCHZ-KRWDZBQOSA-N 1 0 315.373 3.457 20 5 DGBDRO O=[N+]([O-])c1cccnc1N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000359967491 286398784 /nfs/dbraw/zinc/39/87/84/286398784.db2.gz HTNKMRIXPQELGX-UHFFFAOYSA-N 1 0 318.421 3.225 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000360668458 286517771 /nfs/dbraw/zinc/51/77/71/286517771.db2.gz HUPXVWWQMAMMRV-KBPBESRZSA-N 1 0 320.437 3.468 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000362031192 286760085 /nfs/dbraw/zinc/76/00/85/286760085.db2.gz ZXBRVCQADGJRFZ-CABCVRRESA-N 1 0 314.389 3.144 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(OC)CCC2)cc1[N+](=O)[O-] ZINC000180196654 164877065 /nfs/dbraw/zinc/87/70/65/164877065.db2.gz OTKSQBNFEUUUKD-GFCCVEGCSA-N 1 0 308.378 3.213 20 5 DGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185667243 165012205 /nfs/dbraw/zinc/01/22/05/165012205.db2.gz DFMINPJCWVCBRA-LRDDRELGSA-N 1 0 319.405 3.352 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCCC[C@H](COC)C2)ccc1[N+](=O)[O-] ZINC000365194736 287108571 /nfs/dbraw/zinc/10/85/71/287108571.db2.gz YPRMLPCCBCFXSU-HNNXBMFYSA-N 1 0 322.405 3.242 20 5 DGBDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230143279 165392343 /nfs/dbraw/zinc/39/23/43/165392343.db2.gz RAWVOJQJHLIJQO-LBPRGKRZSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000365853498 287180808 /nfs/dbraw/zinc/18/08/08/287180808.db2.gz NKLMRSCQQIWXRL-HIFRSBDPSA-N 1 0 314.389 3.015 20 5 DGBDRO CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000190399982 432151570 /nfs/dbraw/zinc/15/15/70/432151570.db2.gz PUACGSMNWBMUNP-UHFFFAOYSA-N 1 0 316.405 3.311 20 5 DGBDRO CCC1(CC)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000190412563 432153616 /nfs/dbraw/zinc/15/36/16/432153616.db2.gz MDWOHJSEUZUJFW-UHFFFAOYSA-N 1 0 321.421 3.049 20 5 DGBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182182830 432163306 /nfs/dbraw/zinc/16/33/06/432163306.db2.gz OIOFAYZYUZDPFP-CABCVRRESA-N 1 0 312.797 3.374 20 5 DGBDRO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246815000 432169031 /nfs/dbraw/zinc/16/90/31/432169031.db2.gz AHBOQDNGKDTEAZ-BFHYXJOUSA-N 1 0 321.421 3.247 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150885860 432199482 /nfs/dbraw/zinc/19/94/82/432199482.db2.gz LDLNUUWPAZQNLX-OAHLLOKOSA-N 1 0 303.406 3.358 20 5 DGBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000269653426 432193070 /nfs/dbraw/zinc/19/30/70/432193070.db2.gz MRPOGYRZZNEFRZ-ZDUSSCGKSA-N 1 0 300.786 3.087 20 5 DGBDRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129885554 196083596 /nfs/dbraw/zinc/08/35/96/196083596.db2.gz CMVAEYPBVZJNSU-WDEREUQCSA-N 1 0 311.357 3.087 20 5 DGBDRO CC(C)(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000130463261 196084116 /nfs/dbraw/zinc/08/41/16/196084116.db2.gz WRXFVMQOEATDHM-UHFFFAOYSA-N 1 0 302.378 3.092 20 5 DGBDRO C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000130438547 196084283 /nfs/dbraw/zinc/08/42/83/196084283.db2.gz KKXWBGBGTNOHQT-SMDDNHRTSA-N 1 0 323.368 3.231 20 5 DGBDRO CC(C)c1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000247239974 432215578 /nfs/dbraw/zinc/21/55/78/432215578.db2.gz WSUWIYWDBGPOSP-WMLDXEAASA-N 1 0 306.406 3.311 20 5 DGBDRO Cc1ccccc1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269731571 432204160 /nfs/dbraw/zinc/20/41/60/432204160.db2.gz YARJKYKILMSXHG-QGZVFWFLSA-N 1 0 300.358 3.069 20 5 DGBDRO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000182694533 432218645 /nfs/dbraw/zinc/21/86/45/432218645.db2.gz MISHHFKNRNOFHU-SNVBAGLBSA-N 1 0 324.764 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc(CCN2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000172585114 432221299 /nfs/dbraw/zinc/22/12/99/432221299.db2.gz NVLYPKOWAIHERT-UHFFFAOYSA-N 1 0 317.433 3.088 20 5 DGBDRO O=[N+]([O-])c1cccnc1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000247331835 432223102 /nfs/dbraw/zinc/22/31/02/432223102.db2.gz PCLXRQFYSURJGJ-HNNXBMFYSA-N 1 0 312.373 3.239 20 5 DGBDRO O=[N+]([O-])c1cccnc1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000247331842 432223636 /nfs/dbraw/zinc/22/36/36/432223636.db2.gz PCLXRQFYSURJGJ-OAHLLOKOSA-N 1 0 312.373 3.239 20 5 DGBDRO CC(C)(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000132875583 196292413 /nfs/dbraw/zinc/29/24/13/196292413.db2.gz HTBYVXCBGMOOKZ-UHFFFAOYSA-N 1 0 320.368 3.231 20 5 DGBDRO C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295576045 225004316 /nfs/dbraw/zinc/00/43/16/225004316.db2.gz BAMGOUFBCDOJBW-DRDHIDPGSA-N 1 0 315.417 3.024 20 5 DGBDRO Cc1cc(N(C)CCCCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000290895484 222001102 /nfs/dbraw/zinc/00/11/02/222001102.db2.gz DIQRUCCHWNJVSB-UHFFFAOYSA-N 1 0 303.362 3.050 20 5 DGBDRO C[C@@H](CO)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290975121 222041659 /nfs/dbraw/zinc/04/16/59/222041659.db2.gz XWLFREVVRULUQJ-SECBINFHSA-N 1 0 321.204 3.400 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177578460 228333336 /nfs/dbraw/zinc/33/33/36/228333336.db2.gz BSSTXXCNNUZDIF-MELADBBJSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000318705618 287603820 /nfs/dbraw/zinc/60/38/20/287603820.db2.gz NJAABLHEXNYQII-MWLCHTKSSA-N 1 0 317.311 3.177 20 5 DGBDRO C[NH+](C)[C@@H](CNc1sccc1[N+](=O)[O-])Cc1ccccc1 ZINC000301985126 230020387 /nfs/dbraw/zinc/02/03/87/230020387.db2.gz JKXOQJJUQMGCLJ-CYBMUJFWSA-N 1 0 305.403 3.241 20 5 DGBDRO Cc1cc(N2CCC[C@@H]2C[C@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302095213 230093196 /nfs/dbraw/zinc/09/31/96/230093196.db2.gz ROTJFSCFUCNDBP-QWHCGFSZSA-N 1 0 315.373 3.191 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C[N@@H+]1C1CC1 ZINC000413181428 230147573 /nfs/dbraw/zinc/14/75/73/230147573.db2.gz FIAQQNKWUVNVKJ-RYUDHWBXSA-N 1 0 312.373 3.180 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000186395941 263656451 /nfs/dbraw/zinc/65/64/51/263656451.db2.gz CFXSVLPAWYEUJE-SJORKVTESA-N 1 0 306.406 3.321 20 5 DGBDRO CCC[N@H+](CC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000346297207 264004932 /nfs/dbraw/zinc/00/49/32/264004932.db2.gz NMUQWQBPGIJHQV-UHFFFAOYSA-N 1 0 318.320 3.437 20 5 DGBDRO [NH3+]CCCN(Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000346379954 264021990 /nfs/dbraw/zinc/02/19/90/264021990.db2.gz DXUFXIRARSAOJI-UHFFFAOYSA-N 1 0 303.337 3.089 20 5 DGBDRO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000346812572 264102419 /nfs/dbraw/zinc/10/24/19/264102419.db2.gz NZCFIEVUXJYNDH-HIFRSBDPSA-N 1 0 318.373 3.486 20 5 DGBDRO CC(C)c1ccc(CN2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347023870 264142126 /nfs/dbraw/zinc/14/21/26/264142126.db2.gz QFSDMDVTVPKFBW-ZFWWWQNUSA-N 1 0 305.422 3.277 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1[NH3+] ZINC000347043365 264146314 /nfs/dbraw/zinc/14/63/14/264146314.db2.gz MEKYLUPSNFMDDB-MLGOLLRUSA-N 1 0 315.373 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(-c3ccc4c[nH+]cn4c3)n2)s1 ZINC000347123298 264160590 /nfs/dbraw/zinc/16/05/90/264160590.db2.gz NGZKROYZAIUXAR-UHFFFAOYSA-N 1 0 313.298 3.021 20 5 DGBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC[NH2+]CC1 ZINC000347168112 264168838 /nfs/dbraw/zinc/16/88/38/264168838.db2.gz LNIWJVITOTVBTH-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000347331550 264197872 /nfs/dbraw/zinc/19/78/72/264197872.db2.gz FMYWHBFMJKXINZ-ZGUWOUCSSA-N 1 0 302.374 3.111 20 5 DGBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)s1 ZINC000347595452 264248221 /nfs/dbraw/zinc/24/82/21/264248221.db2.gz BPAOROIRVPHRDW-SECBINFHSA-N 1 0 314.798 3.247 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000348148298 264352551 /nfs/dbraw/zinc/35/25/51/264352551.db2.gz YUTUVGDNEXYNGL-KBPBESRZSA-N 1 0 322.405 3.287 20 5 DGBDRO CC(C)SCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000348330808 264391851 /nfs/dbraw/zinc/39/18/51/264391851.db2.gz IBACXWVHLQJQJP-STQMWFEESA-N 1 0 312.439 3.006 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2cccs2)n1 ZINC000351496230 264710359 /nfs/dbraw/zinc/71/03/59/264710359.db2.gz SQMPTZHCQXXMRS-ZIAGYGMSSA-N 1 0 320.418 3.169 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1C ZINC000352349730 265010524 /nfs/dbraw/zinc/01/05/24/265010524.db2.gz HBESUXRNUPOHND-OLZOCXBDSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352796632 265171755 /nfs/dbraw/zinc/17/17/55/265171755.db2.gz GZHCJGMSHCKICG-CHWSQXEVSA-N 1 0 323.824 3.307 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000353011376 265263943 /nfs/dbraw/zinc/26/39/43/265263943.db2.gz WSAYKPFNFGQBPS-CRAIPNDOSA-N 1 0 317.433 3.244 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353031568 265273077 /nfs/dbraw/zinc/27/30/77/265273077.db2.gz VTGVRHHFBHXRBB-GHMZBOCLSA-N 1 0 300.305 3.217 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cc(C)no1 ZINC000353082772 265291621 /nfs/dbraw/zinc/29/16/21/265291621.db2.gz GSYQKQNDNDPXGX-XYOKQWHBSA-N 1 0 301.346 3.127 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC(C)(C)C1 ZINC000353276189 265371547 /nfs/dbraw/zinc/37/15/47/265371547.db2.gz UQSBDIHPMHQJAT-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CC(O)C1 ZINC000191160815 432229535 /nfs/dbraw/zinc/22/95/35/432229535.db2.gz POGGFUOMRDRYJU-UHFFFAOYSA-N 1 0 316.357 3.058 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182805589 432231032 /nfs/dbraw/zinc/23/10/32/432231032.db2.gz SZFOKUSJQROTGM-HZPDHXFCSA-N 1 0 317.433 3.382 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000355488224 266091023 /nfs/dbraw/zinc/09/10/23/266091023.db2.gz UOMWJBOBYLOUBR-OAHLLOKOSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@@H](C1CC1)N(Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355804752 266190828 /nfs/dbraw/zinc/19/08/28/266190828.db2.gz UOFHTEOTTPHHOE-ZDUSSCGKSA-N 1 0 314.389 3.129 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000247475560 432233727 /nfs/dbraw/zinc/23/37/27/432233727.db2.gz SDCCSIODCVDMCZ-WQGACYEGSA-N 1 0 320.389 3.376 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1C ZINC000172858404 432241064 /nfs/dbraw/zinc/24/10/64/432241064.db2.gz ACFXWADBRUOYOQ-VXGBXAGGSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000359878020 271007539 /nfs/dbraw/zinc/00/75/39/271007539.db2.gz MYZSGTWDQOFMNR-ZDUSSCGKSA-N 1 0 307.369 3.107 20 5 DGBDRO CCOc1cc(C[NH2+]C2(C3CC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000367563277 271044164 /nfs/dbraw/zinc/04/41/64/271044164.db2.gz CALAQDFODJVBEN-UHFFFAOYSA-N 1 0 320.389 3.042 20 5 DGBDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000369139848 271245816 /nfs/dbraw/zinc/24/58/16/271245816.db2.gz LVBWLWODUUBIST-HIFRSBDPSA-N 1 0 314.389 3.144 20 5 DGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000183046348 432253315 /nfs/dbraw/zinc/25/33/15/432253315.db2.gz OQDURJFWYLSGBT-GHMZBOCLSA-N 1 0 304.350 3.169 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276525877 273539899 /nfs/dbraw/zinc/53/98/99/273539899.db2.gz BMLRKKHIXUJGST-UHFFFAOYSA-N 1 0 314.389 3.110 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H](CO)CC2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000479555330 273589415 /nfs/dbraw/zinc/58/94/15/273589415.db2.gz OEWDBEUYOMTGNK-DYVFJYSZSA-N 1 0 318.417 3.458 20 5 DGBDRO COCCC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449181247 274018416 /nfs/dbraw/zinc/01/84/16/274018416.db2.gz GCFBAJQOQPPNEX-AWEZNQCLSA-N 1 0 306.406 3.322 20 5 DGBDRO COCCC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000090535763 274018527 /nfs/dbraw/zinc/01/85/27/274018527.db2.gz PIMZWHANDOMRPW-MRXNPFEDSA-N 1 0 318.417 3.322 20 5 DGBDRO C[C@@H]([NH3+])[C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420232420 274240804 /nfs/dbraw/zinc/24/08/04/274240804.db2.gz LWTJFWUXCMODKQ-SFYZADRCSA-N 1 0 304.177 3.075 20 5 DGBDRO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000420190686 274360375 /nfs/dbraw/zinc/36/03/75/274360375.db2.gz QWVWNVWGRGRSQP-XCBNKYQSSA-N 1 0 304.177 3.075 20 5 DGBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000287391786 274379871 /nfs/dbraw/zinc/37/98/71/274379871.db2.gz ISJGZHICMHCGLM-HACGYAERSA-N 1 0 304.390 3.234 20 5 DGBDRO Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301451359 274711002 /nfs/dbraw/zinc/71/10/02/274711002.db2.gz AEYPKDFJIWNDGS-LBPRGKRZSA-N 1 0 307.781 3.007 20 5 DGBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc2ncccc21 ZINC000322601470 275032742 /nfs/dbraw/zinc/03/27/42/275032742.db2.gz MIALBWWRIDGIBO-QWHCGFSZSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1(O)CCC1)CCCC2 ZINC000417335592 275038082 /nfs/dbraw/zinc/03/80/82/275038082.db2.gz SXPNSLRQFXEKNL-MRXNPFEDSA-N 1 0 304.390 3.257 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccccc2)C2CCCC2)c1 ZINC000174856451 275042068 /nfs/dbraw/zinc/04/20/68/275042068.db2.gz QPQLFNWOIAYOCH-QGZVFWFLSA-N 1 0 314.389 3.312 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@]2(C)CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433297778 275861374 /nfs/dbraw/zinc/86/13/74/275861374.db2.gz MFTUPJPWTCOGAS-WBVHZDCISA-N 1 0 304.390 3.476 20 5 DGBDRO CCC[C@@](C)(O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433174719 276035685 /nfs/dbraw/zinc/03/56/85/276035685.db2.gz KDTOJDYPSVVLDC-NVXWUHKLSA-N 1 0 306.406 3.458 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCO1 ZINC000271141808 276573386 /nfs/dbraw/zinc/57/33/86/276573386.db2.gz OMCYRAHZCSYHAQ-CHWSQXEVSA-N 1 0 310.419 3.234 20 5 DGBDRO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000421887507 277474344 /nfs/dbraw/zinc/47/43/44/277474344.db2.gz VYCWTMGSMAYLCU-KBPBESRZSA-N 1 0 322.405 3.138 20 5 DGBDRO COC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000449179020 277570418 /nfs/dbraw/zinc/57/04/18/277570418.db2.gz UXUCENYGBWDTIY-SWLSCSKDSA-N 1 0 318.373 3.405 20 5 DGBDRO COC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000449180194 277570475 /nfs/dbraw/zinc/57/04/75/277570475.db2.gz YUFYPZUNMIUYGA-GXTWGEPZSA-N 1 0 304.346 3.096 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000186666701 277764442 /nfs/dbraw/zinc/76/44/42/277764442.db2.gz PRPHYWWOKRZRJD-FZKQIMNGSA-N 1 0 319.408 3.116 20 5 DGBDRO COc1cccc2c1C[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000414173743 278037344 /nfs/dbraw/zinc/03/73/44/278037344.db2.gz GARXZTTXWTVEAE-IUODEOHRSA-N 1 0 312.369 3.421 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177561300 278157221 /nfs/dbraw/zinc/15/72/21/278157221.db2.gz VTHJVRATPABGFD-MGPQQGTHSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COc2ccccc2C1 ZINC000449099699 278298758 /nfs/dbraw/zinc/29/87/58/278298758.db2.gz OROKRZHRNPYOIP-XJKSGUPXSA-N 1 0 312.369 3.119 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000193233905 278358032 /nfs/dbraw/zinc/35/80/32/278358032.db2.gz VRKWQIRDBOYMCG-GFCCVEGCSA-N 1 0 314.341 3.217 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000280142269 278372128 /nfs/dbraw/zinc/37/21/28/278372128.db2.gz PSIDXQXKRUKNLL-IAQYHMDHSA-N 1 0 300.362 3.057 20 5 DGBDRO C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271408291 279355620 /nfs/dbraw/zinc/35/56/20/279355620.db2.gz AJBSTCYZRFWEJI-YQQAZPJKSA-N 1 0 320.433 3.304 20 5 DGBDRO C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000156404944 279466898 /nfs/dbraw/zinc/46/68/98/279466898.db2.gz MQDOVOAEIZXTCB-NSHDSACASA-N 1 0 319.327 3.130 20 5 DGBDRO CCCC[N@H+](CC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072037513 431329423 /nfs/dbraw/zinc/32/94/23/431329423.db2.gz SMYYGOMZTUQZJP-UHFFFAOYSA-N 1 0 307.394 3.354 20 5 DGBDRO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)C ZINC000114725291 431411191 /nfs/dbraw/zinc/41/11/91/431411191.db2.gz OLCVFXDUBQPOOU-UHFFFAOYSA-N 1 0 304.350 3.123 20 5 DGBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116280296 431500010 /nfs/dbraw/zinc/50/00/10/431500010.db2.gz QRKUXKCYNUUVDF-UKRRQHHQSA-N 1 0 312.797 3.374 20 5 DGBDRO Cc1c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000075836314 431500881 /nfs/dbraw/zinc/50/08/81/431500881.db2.gz GTLOBMDTWFOGGH-INIZCTEOSA-N 1 0 317.433 3.211 20 5 DGBDRO CC(C)(CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000116341477 431502018 /nfs/dbraw/zinc/50/20/18/431502018.db2.gz KQVVTJQWSDRVQD-UHFFFAOYSA-N 1 0 306.387 3.184 20 5 DGBDRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116410397 431510008 /nfs/dbraw/zinc/51/00/08/431510008.db2.gz OITHKGVFOJWKGP-CQSZACIVSA-N 1 0 322.409 3.083 20 5 DGBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc2ccccc2c2cccnc12 ZINC000364182912 279953756 /nfs/dbraw/zinc/95/37/56/279953756.db2.gz NZGFCLCPGNQRKO-HNNXBMFYSA-N 1 0 319.408 3.260 20 5 DGBDRO CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000117344850 431557085 /nfs/dbraw/zinc/55/70/85/431557085.db2.gz LQDITFMQNSHDAI-CYBMUJFWSA-N 1 0 305.378 3.045 20 5 DGBDRO CC[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000117345686 431557873 /nfs/dbraw/zinc/55/78/73/431557873.db2.gz HFSWLRTYAXPSSB-CQSZACIVSA-N 1 0 319.405 3.070 20 5 DGBDRO Cn1cccc1[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000076612829 431558821 /nfs/dbraw/zinc/55/88/21/431558821.db2.gz PQANTHRTAJNELJ-QGZVFWFLSA-N 1 0 315.373 3.149 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000077171101 431570714 /nfs/dbraw/zinc/57/07/14/431570714.db2.gz IRFHLZKSCMKEJS-INIZCTEOSA-N 1 0 301.346 3.139 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451616012 280372389 /nfs/dbraw/zinc/37/23/89/280372389.db2.gz QPXVTCGGSMADIP-CJNGLKHVSA-N 1 0 324.808 3.135 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078270876 431653676 /nfs/dbraw/zinc/65/36/76/431653676.db2.gz OXLPQSIUNBVLTJ-TYNCELHUSA-N 1 0 305.378 3.090 20 5 DGBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCCCC1 ZINC000027284985 431686641 /nfs/dbraw/zinc/68/66/41/431686641.db2.gz GCRSJBNAGDCSSH-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C)c1ccco1 ZINC000078612990 431688839 /nfs/dbraw/zinc/68/88/39/431688839.db2.gz MSXHSCBQXXVMHJ-CQSZACIVSA-N 1 0 318.377 3.386 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000119551205 431706631 /nfs/dbraw/zinc/70/66/31/431706631.db2.gz JFGQNEMXSABZTE-TYNCELHUSA-N 1 0 319.405 3.256 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000030144795 431732387 /nfs/dbraw/zinc/73/23/87/431732387.db2.gz PIEYCNWWGWLZIQ-UONOGXRCSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1cc(N[C@@H]2C[C@H]3OCCC[C@@H]23)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302564242 280631024 /nfs/dbraw/zinc/63/10/24/280631024.db2.gz NZYRKEQFNLLZPZ-JCURWCKSSA-N 1 0 313.357 3.431 20 5 DGBDRO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488720663 288255692 /nfs/dbraw/zinc/25/56/92/288255692.db2.gz ZEPNEXBCIROTQF-LBPRGKRZSA-N 1 0 307.369 3.045 20 5 DGBDRO C[N@H+](CCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168754 431805967 /nfs/dbraw/zinc/80/59/67/431805967.db2.gz WSWJRRUZEUCEEL-UHFFFAOYSA-N 1 0 311.341 3.411 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000121404186 431779798 /nfs/dbraw/zinc/77/97/98/431779798.db2.gz ZLFCJRMCTMWOBV-AWEZNQCLSA-N 1 0 306.410 3.365 20 5 DGBDRO CC[NH+](CC)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000037328595 431846172 /nfs/dbraw/zinc/84/61/72/431846172.db2.gz AMFNBVUVGAIJCY-UHFFFAOYSA-N 1 0 305.300 3.367 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000123088112 431854859 /nfs/dbraw/zinc/85/48/59/431854859.db2.gz JJZQVRKIWHIIIH-GHMZBOCLSA-N 1 0 302.334 3.018 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000123096139 431855523 /nfs/dbraw/zinc/85/55/23/431855523.db2.gz PLVKYVZJLGATNH-GHMZBOCLSA-N 1 0 302.334 3.018 20 5 DGBDRO Cc1c(NC(=O)CC[NH+]2[C@@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000123438005 431864879 /nfs/dbraw/zinc/86/48/79/431864879.db2.gz QOLWFHSWAUBACY-RYUDHWBXSA-N 1 0 305.378 3.105 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c1 ZINC000122445298 431832604 /nfs/dbraw/zinc/83/26/04/431832604.db2.gz OVEVLNKOBDZTBK-UHFFFAOYSA-N 1 0 314.341 3.046 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000047406828 431910469 /nfs/dbraw/zinc/91/04/69/431910469.db2.gz IROFIICFPPLBMA-TXEJJXNPSA-N 1 0 316.361 3.123 20 5 DGBDRO COc1ccc(C[NH2+]C2(C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000092853683 431911630 /nfs/dbraw/zinc/91/16/30/431911630.db2.gz ZIKCSEBXVNSFRZ-UHFFFAOYSA-N 1 0 312.369 3.251 20 5 DGBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123763816 431874089 /nfs/dbraw/zinc/87/40/89/431874089.db2.gz HQVSWFSBXUTKHH-RISCZKNCSA-N 1 0 312.797 3.374 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000090588393 431892433 /nfs/dbraw/zinc/89/24/33/431892433.db2.gz LAEQZTFOLVKFLH-OCCSQVGLSA-N 1 0 324.421 3.441 20 5 DGBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000090538478 431893063 /nfs/dbraw/zinc/89/30/63/431893063.db2.gz JYISSNAUCTXNBB-JTQLQIEISA-N 1 0 314.798 3.247 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000090800198 431894797 /nfs/dbraw/zinc/89/47/97/431894797.db2.gz GOINVUTZYIYXEZ-LHUBUQBQSA-N 1 0 318.417 3.199 20 5 DGBDRO C[C@H](CC[NH+](C)C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000049558710 431941485 /nfs/dbraw/zinc/94/14/85/431941485.db2.gz PSFRAFLFYCXYBQ-SECBINFHSA-N 1 0 316.199 3.109 20 5 DGBDRO C[C@@H]1OCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000126527536 431952117 /nfs/dbraw/zinc/95/21/17/431952117.db2.gz GWFFJRPURKOFJH-STQMWFEESA-N 1 0 316.357 3.464 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000127064047 431964009 /nfs/dbraw/zinc/96/40/09/431964009.db2.gz LBJPYUZQMIQSNG-BETUJISGSA-N 1 0 316.357 3.464 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000127349187 431970053 /nfs/dbraw/zinc/97/00/53/431970053.db2.gz OZTZYIRHNIGDIX-QKVFXAPYSA-N 1 0 312.435 3.101 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000447056544 281011737 /nfs/dbraw/zinc/01/17/37/281011737.db2.gz LQXZQZRPFBIKMT-HNNXBMFYSA-N 1 0 303.406 3.358 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451705417 281021832 /nfs/dbraw/zinc/02/18/32/281021832.db2.gz YNEYQYLBTAMGPG-IVSAIRAKSA-N 1 0 318.417 3.447 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H](C)C1 ZINC000248587111 432303326 /nfs/dbraw/zinc/30/33/26/432303326.db2.gz YAYILPBVFDFVRY-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000173421909 432277994 /nfs/dbraw/zinc/27/79/94/432277994.db2.gz SBSUKTJVZAJXOT-UHFFFAOYSA-N 1 0 321.402 3.345 20 5 DGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000191581848 432279346 /nfs/dbraw/zinc/27/93/46/432279346.db2.gz VOYFMLDOLFAROJ-RHSMWYFYSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000191599184 432280989 /nfs/dbraw/zinc/28/09/89/432280989.db2.gz IIYNJVJXZSXCQM-PBHICJAKSA-N 1 0 314.385 3.157 20 5 DGBDRO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102419345 431993705 /nfs/dbraw/zinc/99/37/05/431993705.db2.gz DIPCBRMXYRZXFF-GFCCVEGCSA-N 1 0 306.387 3.184 20 5 DGBDRO Cc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000271045532 432320678 /nfs/dbraw/zinc/32/06/78/432320678.db2.gz QBYBAMPTVSTUNG-UHFFFAOYSA-N 1 0 317.433 3.354 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccncc2)cc1[N+](=O)[O-] ZINC000271132490 432335302 /nfs/dbraw/zinc/33/53/02/432335302.db2.gz MGBXLRCMOFFMMS-ZDUSSCGKSA-N 1 0 315.373 3.282 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCO1 ZINC000271141811 432337381 /nfs/dbraw/zinc/33/73/81/432337381.db2.gz OMCYRAHZCSYHAQ-OLZOCXBDSA-N 1 0 310.419 3.234 20 5 DGBDRO Cc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000174357934 432339422 /nfs/dbraw/zinc/33/94/22/432339422.db2.gz XQFUPDFDXHUINM-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000271190598 432348887 /nfs/dbraw/zinc/34/88/87/432348887.db2.gz MELBNLOZVQHPCB-HWKANZROSA-N 1 0 312.373 3.211 20 5 DGBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000152183069 432311010 /nfs/dbraw/zinc/31/10/10/432311010.db2.gz FJMZBBAFNUWZNM-LLVKDONJSA-N 1 0 322.796 3.179 20 5 DGBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174859537 432375580 /nfs/dbraw/zinc/37/55/80/432375580.db2.gz SQWFONJAPPIKKP-INIZCTEOSA-N 1 0 302.378 3.120 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)CCCO)cc1[N+](=O)[O-] ZINC000271332761 432375756 /nfs/dbraw/zinc/37/57/56/432375756.db2.gz BHRLMKXSOLAAPZ-ZDUSSCGKSA-N 1 0 324.421 3.443 20 5 DGBDRO C[C@@](O)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000152996252 432375924 /nfs/dbraw/zinc/37/59/24/432375924.db2.gz BOSGNXXNULROBN-IEXSPKMKSA-N 1 0 318.398 3.167 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)o2)c1 ZINC000153026132 432377637 /nfs/dbraw/zinc/37/76/37/432377637.db2.gz BVFGCADMQWWMPA-UNEWFSDZSA-N 1 0 314.341 3.264 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000271455275 432399407 /nfs/dbraw/zinc/39/94/07/432399407.db2.gz GPPWYCMCRUAYEZ-QEJZJMRPSA-N 1 0 306.431 3.401 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000184524926 432401558 /nfs/dbraw/zinc/40/15/58/432401558.db2.gz FHPQBHCOHDJUPS-HOCLYGCPSA-N 1 0 318.417 3.058 20 5 DGBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000271273969 432366731 /nfs/dbraw/zinc/36/67/31/432366731.db2.gz KKJUYSNXVMQESF-BLLLJJGKSA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251592936 432369096 /nfs/dbraw/zinc/36/90/96/432369096.db2.gz FODVAEGJFIWNCG-DUFGSWQCSA-N 1 0 304.390 3.073 20 5 DGBDRO Cc1ccc([C@H](C)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000192925253 432428814 /nfs/dbraw/zinc/42/88/14/432428814.db2.gz LZLWXMGWYYOGLI-HNNXBMFYSA-N 1 0 305.422 3.430 20 5 DGBDRO CC(C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000193211466 432457160 /nfs/dbraw/zinc/45/71/60/432457160.db2.gz MCUVIKSDXKDETR-UHFFFAOYSA-N 1 0 319.405 3.068 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000184585786 432408295 /nfs/dbraw/zinc/40/82/95/432408295.db2.gz JJMGNPMLRFWNMQ-BXUZGUMPSA-N 1 0 316.361 3.313 20 5 DGBDRO CCCC[N@H+](C)CC1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192781485 432413105 /nfs/dbraw/zinc/41/31/05/432413105.db2.gz CMGXCKNGADGZLQ-UHFFFAOYSA-N 1 0 320.437 3.125 20 5 DGBDRO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192793897 432414203 /nfs/dbraw/zinc/41/42/03/432414203.db2.gz XQCWVJWXBVEPEU-QGZVFWFLSA-N 1 0 314.389 3.112 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1nccs1)CCC2 ZINC000192787088 432414306 /nfs/dbraw/zinc/41/43/06/432414306.db2.gz MCPIPHWUBKVCOU-CQSZACIVSA-N 1 0 303.387 3.261 20 5 DGBDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000271525461 432415484 /nfs/dbraw/zinc/41/54/84/432415484.db2.gz RCHAAZAQDUSULM-UEKVPHQBSA-N 1 0 311.813 3.067 20 5 DGBDRO C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000184670129 432418460 /nfs/dbraw/zinc/41/84/60/432418460.db2.gz IAHOQOMUVHGVLA-ZDUSSCGKSA-N 1 0 324.384 3.375 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000271565831 432421253 /nfs/dbraw/zinc/42/12/53/432421253.db2.gz XUWAPMTXARNWPA-DOMZBBRYSA-N 1 0 314.389 3.306 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000192851685 432422295 /nfs/dbraw/zinc/42/22/95/432422295.db2.gz MGYSHQSWNANGBP-NEPJUHHUSA-N 1 0 302.378 3.357 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000192853620 432422883 /nfs/dbraw/zinc/42/28/83/432422883.db2.gz CTLURCKLTQMAID-MEDUHNTESA-N 1 0 302.378 3.439 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)c1ccccc1)CCC2 ZINC000192870753 432424206 /nfs/dbraw/zinc/42/42/06/432424206.db2.gz APMKNSDSZZFQHX-ZWKOTPCHSA-N 1 0 312.369 3.295 20 5 DGBDRO CC1(C)[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCO[C@@H]21 ZINC000192893156 432425618 /nfs/dbraw/zinc/42/56/18/432425618.db2.gz QZJHRAUTEFFJOB-SVGFKBNWSA-N 1 0 316.401 3.375 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000153624234 432427267 /nfs/dbraw/zinc/42/72/67/432427267.db2.gz YMRVYXYHGUNELX-STQMWFEESA-N 1 0 321.421 3.127 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000185189866 432475054 /nfs/dbraw/zinc/47/50/54/432475054.db2.gz UUZXQEVUNUQOKB-RHSMWYFYSA-N 1 0 322.405 3.287 20 5 DGBDRO COc1cccc(NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000185213760 432477344 /nfs/dbraw/zinc/47/73/44/432477344.db2.gz ZNUJYUYJXRKFFG-UHFFFAOYSA-N 1 0 307.394 3.278 20 5 DGBDRO C[N@H+](CCC1CCOCC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154214806 432483462 /nfs/dbraw/zinc/48/34/62/432483462.db2.gz AMJPPPJUROCEDP-UHFFFAOYSA-N 1 0 312.797 3.497 20 5 DGBDRO Cc1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000185339791 432492387 /nfs/dbraw/zinc/49/23/87/432492387.db2.gz FQZUYLYHXGKGNS-UHFFFAOYSA-N 1 0 305.378 3.141 20 5 DGBDRO C[C@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000261957816 432464639 /nfs/dbraw/zinc/46/46/39/432464639.db2.gz XGWYMRSFSPPTOJ-BLLLJJGKSA-N 1 0 319.405 3.070 20 5 DGBDRO Cc1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000263667800 432565146 /nfs/dbraw/zinc/56/51/46/432565146.db2.gz FRQUNNLETLKBSA-CQSZACIVSA-N 1 0 316.361 3.140 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000155121120 432539812 /nfs/dbraw/zinc/53/98/12/432539812.db2.gz PPLGWKVQQVQPRB-ZDUSSCGKSA-N 1 0 313.357 3.193 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000194673757 432567312 /nfs/dbraw/zinc/56/73/12/432567312.db2.gz XPLWNIKDXUHQAU-GFCCVEGCSA-N 1 0 314.341 3.217 20 5 DGBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186246722 432573395 /nfs/dbraw/zinc/57/33/95/432573395.db2.gz NSQMKFIYLQDCIT-BFHYXJOUSA-N 1 0 322.405 3.093 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000263791720 432578475 /nfs/dbraw/zinc/57/84/75/432578475.db2.gz NRBGNRCSPNVPCH-GFCCVEGCSA-N 1 0 307.394 3.208 20 5 DGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000194861785 432582438 /nfs/dbraw/zinc/58/24/38/432582438.db2.gz BRUSRZKPAONPOA-QGZVFWFLSA-N 1 0 320.389 3.006 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000186395975 432590740 /nfs/dbraw/zinc/59/07/40/432590740.db2.gz CFXSVLPAWYEUJE-IRXDYDNUSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H]([N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(C)CC1 ZINC000177214157 432598831 /nfs/dbraw/zinc/59/88/31/432598831.db2.gz PKKZBTKNUPVSLK-NSHDSACASA-N 1 0 306.362 3.082 20 5 DGBDRO COc1ccc(C[N@H+](C[C@H](C)O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000264209657 432626844 /nfs/dbraw/zinc/62/68/44/432626844.db2.gz SAJPXVNZVABJSE-ZDUSSCGKSA-N 1 0 322.405 3.119 20 5 DGBDRO CC(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000195666898 432632169 /nfs/dbraw/zinc/63/21/69/432632169.db2.gz MVHIVOJXHJULQP-CHWSQXEVSA-N 1 0 319.405 3.330 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3cccc(F)c3C2)cc1 ZINC000157882131 432632917 /nfs/dbraw/zinc/63/29/17/432632917.db2.gz MYRZKIVDINNMHY-UHFFFAOYSA-N 1 0 300.333 3.335 20 5 DGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177611625 432642421 /nfs/dbraw/zinc/64/24/21/432642421.db2.gz GLBNIXOSJTZRPZ-ZDUSSCGKSA-N 1 0 317.389 3.188 20 5 DGBDRO C[N@H+](CCc1nccs1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000157374770 432618735 /nfs/dbraw/zinc/61/87/35/432618735.db2.gz USWDQRYBQPCLDH-UHFFFAOYSA-N 1 0 311.794 3.379 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000178098810 432695150 /nfs/dbraw/zinc/69/51/50/432695150.db2.gz OHGYMXCCIYNLHH-STQMWFEESA-N 1 0 319.405 3.001 20 5 DGBDRO Cc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000265564009 432709837 /nfs/dbraw/zinc/70/98/37/432709837.db2.gz JYFGTSFRXQQHOF-HNNXBMFYSA-N 1 0 303.406 3.358 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227648438 432714276 /nfs/dbraw/zinc/71/42/76/432714276.db2.gz BRKPACNCIIYSTF-NSHDSACASA-N 1 0 312.801 3.320 20 5 DGBDRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000274469212 432672307 /nfs/dbraw/zinc/67/23/07/432672307.db2.gz JGSCYNJFCVSUEV-SECBINFHSA-N 1 0 310.304 3.117 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000177960373 432678965 /nfs/dbraw/zinc/67/89/65/432678965.db2.gz CLYOTPGTCBAUAV-VXGBXAGGSA-N 1 0 302.378 3.357 20 5 DGBDRO Cc1ccnc(NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000265290361 432686116 /nfs/dbraw/zinc/68/61/16/432686116.db2.gz XWMOWIQCHPYLAN-CYBMUJFWSA-N 1 0 316.361 3.140 20 5 DGBDRO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178644863 432761999 /nfs/dbraw/zinc/76/19/99/432761999.db2.gz ITZIGMVSCGNZKF-GFCCVEGCSA-N 1 0 313.357 3.404 20 5 DGBDRO COc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1OC ZINC000178647695 432762053 /nfs/dbraw/zinc/76/20/53/432762053.db2.gz GGWAWZNLCTVWFM-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO C[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178643922 432762259 /nfs/dbraw/zinc/76/22/59/432762259.db2.gz LULBHDAIOIFKEP-GFCCVEGCSA-N 1 0 304.321 3.464 20 5 DGBDRO C[C@H]([NH2+]CCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178661284 432762802 /nfs/dbraw/zinc/76/28/02/432762802.db2.gz BGTJFVZEWZRADT-AWEZNQCLSA-N 1 0 300.358 3.462 20 5 DGBDRO COc1ccc(OCC[N@H+](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000266541300 432764030 /nfs/dbraw/zinc/76/40/30/432764030.db2.gz PZPQYVJZBAZTHI-UHFFFAOYSA-N 1 0 322.386 3.176 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000236880011 432769858 /nfs/dbraw/zinc/76/98/58/432769858.db2.gz TVEWPXGZNFERMF-HZPDHXFCSA-N 1 0 304.390 3.422 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000160535781 432727048 /nfs/dbraw/zinc/72/70/48/432727048.db2.gz HOHQRLJCUQOEKL-STQMWFEESA-N 1 0 307.394 3.290 20 5 DGBDRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000265771511 432729899 /nfs/dbraw/zinc/72/98/99/432729899.db2.gz MFHMNFRJJSPDBU-INIZCTEOSA-N 1 0 320.776 3.246 20 5 DGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000235467796 432744733 /nfs/dbraw/zinc/74/47/33/432744733.db2.gz MZCXPXHZODISRE-NEPJUHHUSA-N 1 0 323.393 3.159 20 5 DGBDRO CCOC(CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)OCC ZINC000276593502 432821504 /nfs/dbraw/zinc/82/15/04/432821504.db2.gz XBIYYBIEVZRSPW-ZDUSSCGKSA-N 1 0 310.394 3.343 20 5 DGBDRO CCOC(CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)OCC ZINC000276234442 432786333 /nfs/dbraw/zinc/78/63/33/432786333.db2.gz PJSSDYTVHFQKCS-UHFFFAOYSA-N 1 0 316.785 3.127 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000266911148 432797945 /nfs/dbraw/zinc/79/79/45/432797945.db2.gz LNMLOGNPDNISKS-LLVKDONJSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cs1 ZINC000237974307 432807302 /nfs/dbraw/zinc/80/73/02/432807302.db2.gz COMNICRVGUHXAN-CYBMUJFWSA-N 1 0 321.402 3.176 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000245521007 432838973 /nfs/dbraw/zinc/83/89/73/432838973.db2.gz KFIOFFRPTWZVAM-VBQJREDUSA-N 1 0 306.406 3.447 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000245742770 432860522 /nfs/dbraw/zinc/86/05/22/432860522.db2.gz GJCKUFWFWRTEEF-SLLSNFPASA-N 1 0 315.417 3.024 20 5 DGBDRO CCC(C)(C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000277594840 432863219 /nfs/dbraw/zinc/86/32/19/432863219.db2.gz KRIGUZYQPKPNNB-OAHLLOKOSA-N 1 0 316.405 3.444 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000268439330 432871946 /nfs/dbraw/zinc/87/19/46/432871946.db2.gz CSDJHMFCMKJANB-UHFFFAOYSA-N 1 0 314.389 3.362 20 5 DGBDRO Cc1nc(NC[C@@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268445284 432871996 /nfs/dbraw/zinc/87/19/96/432871996.db2.gz DVTGESWYICTGBV-ZDUSSCGKSA-N 1 0 306.391 3.075 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000163328144 432850115 /nfs/dbraw/zinc/85/01/15/432850115.db2.gz VHIVYORZRSRASV-GJZGRUSLSA-N 1 0 310.781 3.392 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000245703607 432856800 /nfs/dbraw/zinc/85/68/00/432856800.db2.gz DOKGPQADMHOKFY-VXGBXAGGSA-N 1 0 308.378 3.090 20 5 DGBDRO CC(C)c1ccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000245712078 432857737 /nfs/dbraw/zinc/85/77/37/432857737.db2.gz GFBNFFRROAJBOA-ZFWWWQNUSA-N 1 0 306.406 3.454 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000330650961 432922862 /nfs/dbraw/zinc/92/28/62/432922862.db2.gz JWOOTNOSQIPBAE-QWHCGFSZSA-N 1 0 305.378 3.105 20 5 DGBDRO Cc1c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289640694 432971064 /nfs/dbraw/zinc/97/10/64/432971064.db2.gz FPSCPIVXNWOSHF-HOTGVXAUSA-N 1 0 304.390 3.293 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn[nH]c1 ZINC000289754546 432972589 /nfs/dbraw/zinc/97/25/89/432972589.db2.gz LHSJDWFEBUTTON-ZDUSSCGKSA-N 1 0 320.418 3.021 20 5 DGBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279472066 432973928 /nfs/dbraw/zinc/97/39/28/432973928.db2.gz KALUEKUDGTXXHV-BDAKNGLRSA-N 1 0 306.284 3.127 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332222488 432986793 /nfs/dbraw/zinc/98/67/93/432986793.db2.gz YFORAVLFPQKXGN-CDMJZVDBSA-N 1 0 302.378 3.385 20 5 DGBDRO Cc1cscc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331612538 432953050 /nfs/dbraw/zinc/95/30/50/432953050.db2.gz MKAMTOZJJQANMH-UONOGXRCSA-N 1 0 320.418 3.435 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000279380728 432961246 /nfs/dbraw/zinc/96/12/46/432961246.db2.gz XUGOQXSNNQHHBQ-YPMHNXCESA-N 1 0 305.378 3.010 20 5 DGBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCCCC1 ZINC000332394265 433004286 /nfs/dbraw/zinc/00/42/86/433004286.db2.gz YAWMSODXJKBYOF-UHFFFAOYSA-N 1 0 302.378 3.483 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000349964697 433043022 /nfs/dbraw/zinc/04/30/22/433043022.db2.gz KMPHOXTUHZLTDX-UHFFFAOYSA-N 1 0 322.405 3.457 20 5 DGBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000280504042 433062064 /nfs/dbraw/zinc/06/20/64/433062064.db2.gz GIDVVPWTKJWFBC-RNCFNFMXSA-N 1 0 318.295 3.128 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c(F)c1 ZINC000354429429 433074753 /nfs/dbraw/zinc/07/47/53/433074753.db2.gz LULGMUAQWRNFSB-INIZCTEOSA-N 1 0 320.364 3.125 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000420277059 433144891 /nfs/dbraw/zinc/14/48/91/433144891.db2.gz HXUDKIHVCMDMCV-RYUDHWBXSA-N 1 0 300.362 3.072 20 5 DGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453340987 433102175 /nfs/dbraw/zinc/10/21/75/433102175.db2.gz HKIFHEXMHKXSLP-AJNGGQMLSA-N 1 0 306.410 3.157 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1O ZINC000290612616 433116197 /nfs/dbraw/zinc/11/61/97/433116197.db2.gz HZYHMPJFPRXWPI-LLVKDONJSA-N 1 0 302.330 3.160 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453355799 433118117 /nfs/dbraw/zinc/11/81/17/433118117.db2.gz IUFLEEBGWLBVED-WMLDXEAASA-N 1 0 304.390 3.028 20 5 DGBDRO CC(C)[C@@]1(CO)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000354569423 433155134 /nfs/dbraw/zinc/15/51/34/433155134.db2.gz PLNDZIOXZDRUJW-MTIYJEKLSA-N 1 0 318.417 3.339 20 5 DGBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000361470883 433191265 /nfs/dbraw/zinc/19/12/65/433191265.db2.gz PLQQOCMHPGWAAR-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[N@H+](CC1CCC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361482144 433195819 /nfs/dbraw/zinc/19/58/19/433195819.db2.gz VDCADBQYTOMPES-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@]1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000374642344 433245968 /nfs/dbraw/zinc/24/59/68/433245968.db2.gz CIAMLUMQXHSYQD-LSDHHAIUSA-N 1 0 310.781 3.295 20 5 DGBDRO CC(=O)c1ccc(NC[C@@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447813413 433287158 /nfs/dbraw/zinc/28/71/58/433287158.db2.gz RRGIVFUHWLQGQA-INIZCTEOSA-N 1 0 319.405 3.330 20 5 DGBDRO Cc1cnc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000448061978 433358679 /nfs/dbraw/zinc/35/86/79/433358679.db2.gz ZQCXLGGCUDVTCE-CQSZACIVSA-N 1 0 306.410 3.078 20 5 DGBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339123060 433371747 /nfs/dbraw/zinc/37/17/47/433371747.db2.gz FLMHKDSWGNYMGK-ZANVPECISA-N 1 0 318.295 3.271 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1OCCc2sccc21 ZINC000291759633 433337656 /nfs/dbraw/zinc/33/76/56/433337656.db2.gz RFVXGRPYPMKZDH-MEDUHNTESA-N 1 0 318.398 3.448 20 5 DGBDRO CC[N@H+](CCC1CC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000355033539 433427980 /nfs/dbraw/zinc/42/79/80/433427980.db2.gz BOWLWONVXWRBAW-CYBMUJFWSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000425971564 433388446 /nfs/dbraw/zinc/38/84/46/433388446.db2.gz QKVGBIIYKSNRSV-TZMCWYRMSA-N 1 0 316.357 3.058 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CCOC2)cc(C(F)(F)F)c1 ZINC000425986769 433393287 /nfs/dbraw/zinc/39/32/87/433393287.db2.gz GJYALHPHPLPGKS-SNVBAGLBSA-N 1 0 318.295 3.130 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000421029188 433394960 /nfs/dbraw/zinc/39/49/60/433394960.db2.gz XGPCFTIVYWTBFA-AWEZNQCLSA-N 1 0 314.389 3.096 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000301106034 433417026 /nfs/dbraw/zinc/41/70/26/433417026.db2.gz VSNRFCVKVJEEFG-UHFFFAOYSA-N 1 0 315.348 3.204 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1CNc1cc(C)nc(C(C)C)n1 ZINC000301117639 433421211 /nfs/dbraw/zinc/42/12/11/433421211.db2.gz QBWZWARQNWAKDF-UHFFFAOYSA-N 1 0 316.361 3.437 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(F)(c3cccnc3)CC2)cc1 ZINC000375350102 433437584 /nfs/dbraw/zinc/43/75/84/433437584.db2.gz SJSFIPPPFMZKFL-UHFFFAOYSA-N 1 0 315.348 3.451 20 5 DGBDRO CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F ZINC000339214167 433440613 /nfs/dbraw/zinc/44/06/13/433440613.db2.gz RDZRETINGSTUGH-UHFFFAOYSA-N 1 0 304.321 3.464 20 5 DGBDRO COc1cccc2c1C[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000414183314 433445902 /nfs/dbraw/zinc/44/59/02/433445902.db2.gz NGKMBAKVSRQRLV-IUODEOHRSA-N 1 0 312.369 3.421 20 5 DGBDRO COc1cc(NC[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000301210736 433456115 /nfs/dbraw/zinc/45/61/15/433456115.db2.gz WNLHLDAMJJEPMM-ZDUSSCGKSA-N 1 0 307.394 3.137 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(C)(C)C ZINC000339254293 433474820 /nfs/dbraw/zinc/47/48/20/433474820.db2.gz PEZYZJLKOIIEAH-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO CC1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000355134185 433484576 /nfs/dbraw/zinc/48/45/76/433484576.db2.gz OFVXZOWXYXTEMQ-UHFFFAOYSA-N 1 0 300.305 3.476 20 5 DGBDRO COc1cc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301327943 433510708 /nfs/dbraw/zinc/51/07/08/433510708.db2.gz AAKPDMOGUHGXHF-CHWSQXEVSA-N 1 0 307.394 3.136 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000355175232 433511539 /nfs/dbraw/zinc/51/15/39/433511539.db2.gz LUPBYRPUMCMURF-CVEARBPZSA-N 1 0 304.390 3.374 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1csnn1 ZINC000414296236 433521207 /nfs/dbraw/zinc/52/12/07/433521207.db2.gz GHCFUQHJWRKVAU-GHMZBOCLSA-N 1 0 306.391 3.118 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000355191260 433521510 /nfs/dbraw/zinc/52/15/10/433521510.db2.gz ZJYKSASICIYHBI-HZPDHXFCSA-N 1 0 304.390 3.374 20 5 DGBDRO CC(=O)c1ccc(N[C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301357959 433523488 /nfs/dbraw/zinc/52/34/88/433523488.db2.gz PELSGQIALSIYQG-LBPRGKRZSA-N 1 0 307.394 3.186 20 5 DGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000351499953 433535417 /nfs/dbraw/zinc/53/54/17/433535417.db2.gz DSTHIKNFVLCTHS-NXEZZACHSA-N 1 0 317.311 3.142 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000414318621 433539128 /nfs/dbraw/zinc/53/91/28/433539128.db2.gz YAYHZPZEBGPISG-DOMZBBRYSA-N 1 0 318.348 3.161 20 5 DGBDRO COCC(C)(C)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000426417775 433494421 /nfs/dbraw/zinc/49/44/21/433494421.db2.gz CKAZTKRQTXPFJS-UHFFFAOYSA-N 1 0 322.405 3.111 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000301446868 433561676 /nfs/dbraw/zinc/56/16/76/433561676.db2.gz QHLQBGQPGIFXJM-ZIAGYGMSSA-N 1 0 321.421 3.274 20 5 DGBDRO C[N@H+](CCCOCC(F)(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC000282328319 433566646 /nfs/dbraw/zinc/56/66/46/433566646.db2.gz APBXLBYMEZMCAG-UHFFFAOYSA-N 1 0 320.311 3.038 20 5 DGBDRO Cc1ccc([C@H](CNc2ncc(C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000301468473 433570019 /nfs/dbraw/zinc/57/00/19/433570019.db2.gz ZEPDQIWBDSJBDM-INIZCTEOSA-N 1 0 314.389 3.321 20 5 DGBDRO COCC[N@H+](CCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000351568157 433581668 /nfs/dbraw/zinc/58/16/68/433581668.db2.gz MBLXMKGYXHMMHV-UHFFFAOYSA-N 1 0 314.385 3.286 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421399042 433543892 /nfs/dbraw/zinc/54/38/92/433543892.db2.gz PHVHFCNORCGSEU-SZTZYQKNSA-N 1 0 304.390 3.093 20 5 DGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000161426023 292835166 /nfs/dbraw/zinc/83/51/66/292835166.db2.gz FCGNHLMOPUYGAS-STQMWFEESA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000301611966 433636760 /nfs/dbraw/zinc/63/67/60/433636760.db2.gz FFAWGUWYPNFWIU-ZFWWWQNUSA-N 1 0 312.373 3.065 20 5 DGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1F)Cc1ccc(F)cc1 ZINC000301524887 433594719 /nfs/dbraw/zinc/59/47/19/433594719.db2.gz IMYJGVQUXKHVOL-UHFFFAOYSA-N 1 0 321.327 3.417 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000163880837 292872709 /nfs/dbraw/zinc/87/27/09/292872709.db2.gz KLYZKHSUWVJDEC-ZQIUZPCESA-N 1 0 308.422 3.303 20 5 DGBDRO CC(=O)c1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000342296093 433597676 /nfs/dbraw/zinc/59/76/76/433597676.db2.gz RDFSCLYRAWTBJS-AWEZNQCLSA-N 1 0 319.405 3.108 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1COC ZINC000301534392 433598635 /nfs/dbraw/zinc/59/86/35/433598635.db2.gz LEYGLLRUHAVIFP-OAHLLOKOSA-N 1 0 307.394 3.028 20 5 DGBDRO COc1ccc(OCC[NH+]2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000426794439 433601604 /nfs/dbraw/zinc/60/16/04/433601604.db2.gz RLSTWEYPFUGGPY-KBPBESRZSA-N 1 0 320.389 3.104 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301584978 433622287 /nfs/dbraw/zinc/62/22/87/433622287.db2.gz OOTSHRRAHWFDCR-CHWSQXEVSA-N 1 0 314.389 3.428 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000362346008 433654568 /nfs/dbraw/zinc/65/45/68/433654568.db2.gz RYMKGVDLHFCPQT-UHFFFAOYSA-N 1 0 310.313 3.057 20 5 DGBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000414489913 433656473 /nfs/dbraw/zinc/65/64/73/433656473.db2.gz WIMLVWVMQWGEQN-TZMCWYRMSA-N 1 0 320.389 3.225 20 5 DGBDRO Cc1nc(Nc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000301657541 433662088 /nfs/dbraw/zinc/66/20/88/433662088.db2.gz LOAMAAHFEBCBOS-UHFFFAOYSA-N 1 0 300.362 3.146 20 5 DGBDRO CO[C@@](C)([C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414499101 433664436 /nfs/dbraw/zinc/66/44/36/433664436.db2.gz JHODXHWOSXNEQR-YKSAPKGHSA-N 1 0 304.390 3.401 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000356742109 433670872 /nfs/dbraw/zinc/67/08/72/433670872.db2.gz SKLBAMOETJEAMD-CQSZACIVSA-N 1 0 322.796 3.469 20 5 DGBDRO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000449027322 433677472 /nfs/dbraw/zinc/67/74/72/433677472.db2.gz IJLJYPAOQQSWRH-ZDUSSCGKSA-N 1 0 318.402 3.046 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000301720424 433689886 /nfs/dbraw/zinc/68/98/86/433689886.db2.gz PVGRJBSMJFNPFU-AAEUAGOBSA-N 1 0 309.797 3.169 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)C(C)C ZINC000414529821 433697353 /nfs/dbraw/zinc/69/73/53/433697353.db2.gz PPBRMZBGGSIHLT-ZIAGYGMSSA-N 1 0 300.786 3.133 20 5 DGBDRO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301727450 433694483 /nfs/dbraw/zinc/69/44/83/433694483.db2.gz VTWOEKOTEGAMSA-TZMCWYRMSA-N 1 0 323.824 3.477 20 5 DGBDRO O=C(CC[NH+]1CCC(C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000368336938 293117227 /nfs/dbraw/zinc/11/72/27/293117227.db2.gz RLRSPXVUEJTVRU-UHFFFAOYSA-N 1 0 317.389 3.045 20 5 DGBDRO Cc1ccc([C@@H]2CCCCCN2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370044994 293151834 /nfs/dbraw/zinc/15/18/34/293151834.db2.gz JIXLPSLYVJHTOC-ZDUSSCGKSA-N 1 0 318.377 3.347 20 5 DGBDRO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@H+]1C ZINC000356790691 433699432 /nfs/dbraw/zinc/69/94/32/433699432.db2.gz HRALQHHASCJCDH-ZJUUUORDSA-N 1 0 317.311 3.142 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301747575 433706670 /nfs/dbraw/zinc/70/66/70/433706670.db2.gz RDGRZRFHZGJCSJ-LBPRGKRZSA-N 1 0 312.801 3.320 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000373482488 293280562 /nfs/dbraw/zinc/28/05/62/293280562.db2.gz SDRHPTBUQCNOGB-QGZVFWFLSA-N 1 0 306.406 3.455 20 5 DGBDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283376491 433713411 /nfs/dbraw/zinc/71/34/11/433713411.db2.gz SORDXVIWNVECEB-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449060552 433716964 /nfs/dbraw/zinc/71/69/64/433716964.db2.gz TVUQJOBDVUIXMR-CYBMUJFWSA-N 1 0 300.358 3.324 20 5 DGBDRO C[C@H](CCCO)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449407083 433745416 /nfs/dbraw/zinc/74/54/16/433745416.db2.gz FIBMTMXDYMIFND-INMHGKMJSA-N 1 0 320.433 3.304 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000339732390 433751287 /nfs/dbraw/zinc/75/12/87/433751287.db2.gz UNKGKMFQHBGQLU-INIZCTEOSA-N 1 0 306.406 3.180 20 5 DGBDRO CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000301839525 433753310 /nfs/dbraw/zinc/75/33/10/433753310.db2.gz XOMYUDPUSXYCQA-NSHDSACASA-N 1 0 317.311 3.144 20 5 DGBDRO C[NH+](C)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1F ZINC000301873134 433771047 /nfs/dbraw/zinc/77/10/47/433771047.db2.gz JIBXJGQWGXLHQI-UHFFFAOYSA-N 1 0 303.337 3.408 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432341208 433823554 /nfs/dbraw/zinc/82/35/54/433823554.db2.gz UXVGXGAWWINIEA-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000301897697 433783510 /nfs/dbraw/zinc/78/35/10/433783510.db2.gz VZJLABOSEVMWBU-UHFFFAOYSA-N 1 0 318.352 3.111 20 5 DGBDRO CC(=O)c1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000283954039 433805196 /nfs/dbraw/zinc/80/51/96/433805196.db2.gz YNHXFBKBSBWDIG-GXTWGEPZSA-N 1 0 305.378 3.082 20 5 DGBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCC[N@@H+]1C ZINC000343480377 433812112 /nfs/dbraw/zinc/81/21/12/433812112.db2.gz QWHQUWVJKMKFSG-BXUZGUMPSA-N 1 0 300.362 3.038 20 5 DGBDRO COCc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284108219 433836684 /nfs/dbraw/zinc/83/66/84/433836684.db2.gz NFBASPAARAUNFW-GFCCVEGCSA-N 1 0 315.373 3.174 20 5 DGBDRO CC(C)C[C@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175614 433840221 /nfs/dbraw/zinc/84/02/21/433840221.db2.gz MOXDMXWUHRPZHD-WBMJQRKESA-N 1 0 306.406 3.314 20 5 DGBDRO CN(C)[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433160611 433844365 /nfs/dbraw/zinc/84/43/65/433844365.db2.gz WAZJJIJEXFBMQD-DLBZAZTESA-N 1 0 317.433 3.247 20 5 DGBDRO CC(C)([NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414799768 433844703 /nfs/dbraw/zinc/84/47/03/433844703.db2.gz HCUNFWLRIOEPIZ-UHFFFAOYSA-N 1 0 305.403 3.150 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000362796581 433862402 /nfs/dbraw/zinc/86/24/02/433862402.db2.gz IKUIHBBHCORULW-OCBCSQNSSA-N 1 0 312.369 3.212 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N)c1ccccc1 ZINC000414827721 433865636 /nfs/dbraw/zinc/86/56/36/433865636.db2.gz HOYVEPHKBPGQEQ-RHSMWYFYSA-N 1 0 313.401 3.206 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000345189563 433901777 /nfs/dbraw/zinc/90/17/77/433901777.db2.gz KNGSRDWXCIRLGY-CHWSQXEVSA-N 1 0 314.389 3.062 20 5 DGBDRO CC(C)c1ccc(CNC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414901278 433909745 /nfs/dbraw/zinc/90/97/45/433909745.db2.gz JMHNIDYJMAYDSJ-QGZVFWFLSA-N 1 0 305.422 3.198 20 5 DGBDRO Cn1ncc(Cl)c1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000436252925 433914721 /nfs/dbraw/zinc/91/47/21/433914721.db2.gz KKOMXPASRLZOEN-UHFFFAOYSA-N 1 0 322.796 3.094 20 5 DGBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414926310 433921411 /nfs/dbraw/zinc/92/14/11/433921411.db2.gz KVNLQGWIOFARQJ-KRWDZBQOSA-N 1 0 315.348 3.483 20 5 DGBDRO Cc1cnc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)nc1 ZINC000340108357 433926108 /nfs/dbraw/zinc/92/61/08/433926108.db2.gz IKNCXGIJLNUCTA-UHFFFAOYSA-N 1 0 314.389 3.149 20 5 DGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285386334 433932321 /nfs/dbraw/zinc/93/23/21/433932321.db2.gz DCUDPDOOZPLXMQ-NNQSOWQGSA-N 1 0 323.824 3.305 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000284309047 433883862 /nfs/dbraw/zinc/88/38/62/433883862.db2.gz JGXQPLSFTAEMDA-GOEBONIOSA-N 1 0 318.417 3.201 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(C[NH2+]C)cc1 ZINC000414975214 433949303 /nfs/dbraw/zinc/94/93/03/433949303.db2.gz LMIHQAKFGMPEHJ-UHFFFAOYSA-N 1 0 315.373 3.325 20 5 DGBDRO CC(C)c1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422732188 433954908 /nfs/dbraw/zinc/95/49/08/433954908.db2.gz NIDZCTYJNMOMPE-SWLSCSKDSA-N 1 0 319.405 3.060 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](O)CC3)o2)cc1 ZINC000294034568 433971228 /nfs/dbraw/zinc/97/12/28/433971228.db2.gz OOBNHOLNBWYDHB-HNNXBMFYSA-N 1 0 316.357 3.202 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3C3CC3)n2)c1 ZINC000363385117 434038340 /nfs/dbraw/zinc/03/83/40/434038340.db2.gz ULIMYUHAIFJMEW-AWEZNQCLSA-N 1 0 314.345 3.019 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2o1 ZINC000352539211 434041074 /nfs/dbraw/zinc/04/10/74/434041074.db2.gz VJTMYDBWZLMAFI-UHFFFAOYSA-N 1 0 311.341 3.411 20 5 DGBDRO Cc1nnc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449239775 293874271 /nfs/dbraw/zinc/87/42/71/293874271.db2.gz WQNBRXFJUZCZOR-UWVGGRQHSA-N 1 0 306.391 3.037 20 5 DGBDRO CSC1(CNc2ccc(C)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357552731 434077198 /nfs/dbraw/zinc/07/71/98/434077198.db2.gz WNPNDMLLMIBTBR-UHFFFAOYSA-N 1 0 309.435 3.143 20 5 DGBDRO CC(C)(C[NH+]1CCCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000308633269 434090293 /nfs/dbraw/zinc/09/02/93/434090293.db2.gz IYFOYPZYBHANLQ-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO Cn1ccnc1[C@@H](NCCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353382831 434096733 /nfs/dbraw/zinc/09/67/33/434096733.db2.gz CTEDGHOOKWMJDH-HNNXBMFYSA-N 1 0 316.405 3.444 20 5 DGBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353399117 434108310 /nfs/dbraw/zinc/10/83/10/434108310.db2.gz BJGSKLVCRRRDHT-HIFRSBDPSA-N 1 0 314.389 3.053 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000499254624 294082069 /nfs/dbraw/zinc/08/20/69/294082069.db2.gz VCENHPIBUAYELZ-WMLDXEAASA-N 1 0 320.389 3.115 20 5 DGBDRO CC[C@@H]1C[C@]1([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C)c1 ZINC000502483469 294166458 /nfs/dbraw/zinc/16/64/58/294166458.db2.gz ITVYKJKHGYNDAK-RHSMWYFYSA-N 1 0 314.389 3.015 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000502853527 294177319 /nfs/dbraw/zinc/17/73/19/294177319.db2.gz AMYVLULKLITQRM-OCCSQVGLSA-N 1 0 305.378 3.010 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)CC ZINC000504893460 294223280 /nfs/dbraw/zinc/22/32/80/294223280.db2.gz FSQRALSVTNIXCP-DOMZBBRYSA-N 1 0 312.435 3.216 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCOC ZINC000504899850 294224297 /nfs/dbraw/zinc/22/42/97/294224297.db2.gz NKOIUHDWNZMHMP-QWHCGFSZSA-N 1 0 312.435 3.480 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)C[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000504905649 294224315 /nfs/dbraw/zinc/22/43/15/294224315.db2.gz LVERMXOHXYNCKU-VNHYZAJKSA-N 1 0 324.421 3.441 20 5 DGBDRO Cn1ccnc1[C@H]([NH2+]C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353434037 434128733 /nfs/dbraw/zinc/12/87/33/434128733.db2.gz IRFQEFHDJTZHBK-MRXNPFEDSA-N 1 0 314.389 3.340 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)cc1C(F)(F)F ZINC000314956662 434154840 /nfs/dbraw/zinc/15/48/40/434154840.db2.gz NWPYSDHHPCYYDO-JTQLQIEISA-N 1 0 315.295 3.262 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000315612515 434169122 /nfs/dbraw/zinc/16/91/22/434169122.db2.gz REQGKLKEAVBZQX-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[C@H](O)CC3)o2)cc1 ZINC000513546545 294476720 /nfs/dbraw/zinc/47/67/20/294476720.db2.gz YHRBHQYNCBAFPY-CTYIDZIISA-N 1 0 316.357 3.248 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccncc21 ZINC000363942317 434190458 /nfs/dbraw/zinc/19/04/58/434190458.db2.gz BFVAQEHGGWAAKP-STQMWFEESA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccncc21 ZINC000363942313 434192876 /nfs/dbraw/zinc/19/28/76/434192876.db2.gz BFVAQEHGGWAAKP-CHWSQXEVSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(n2cccn2)CC1 ZINC000378506251 434204872 /nfs/dbraw/zinc/20/48/72/434204872.db2.gz HCZFHUMJIJEEOF-CQSZACIVSA-N 1 0 314.389 3.498 20 5 DGBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000318705620 434210958 /nfs/dbraw/zinc/21/09/58/434210958.db2.gz NJAABLHEXNYQII-ONGXEEELSA-N 1 0 317.311 3.177 20 5 DGBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000318705616 434211757 /nfs/dbraw/zinc/21/17/57/434211757.db2.gz NJAABLHEXNYQII-KOLCDFICSA-N 1 0 317.311 3.177 20 5 DGBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000318705614 434212588 /nfs/dbraw/zinc/21/25/88/434212588.db2.gz NJAABLHEXNYQII-GXSJLCMTSA-N 1 0 317.311 3.177 20 5 DGBDRO C[NH+](C)C1(CNc2nccc3c2cccc3[N+](=O)[O-])CCC1 ZINC000450475532 434213381 /nfs/dbraw/zinc/21/33/81/434213381.db2.gz YEYWBEFMWKPQMA-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000318608569 434214397 /nfs/dbraw/zinc/21/43/97/434214397.db2.gz SICKZRJAOZUSSV-VIFPVBQESA-N 1 0 320.315 3.151 20 5 DGBDRO CC(=O)c1cc(N[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000286270555 434215594 /nfs/dbraw/zinc/21/55/94/434215594.db2.gz WLWIIVYOKDWIQK-GFCCVEGCSA-N 1 0 305.378 3.084 20 5 DGBDRO CC(=O)c1cc(N[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000286270572 434215661 /nfs/dbraw/zinc/21/56/61/434215661.db2.gz WLWIIVYOKDWIQK-LBPRGKRZSA-N 1 0 305.378 3.084 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000295195842 434250962 /nfs/dbraw/zinc/25/09/62/434250962.db2.gz JPOLLNXEPUZPMZ-VFADXPBXSA-N 1 0 303.406 3.024 20 5 DGBDRO CCOc1ccc([C@H](C)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000423177239 434265154 /nfs/dbraw/zinc/26/51/54/434265154.db2.gz IOWKLBAALKZXKJ-ZDUSSCGKSA-N 1 0 321.421 3.306 20 5 DGBDRO CCC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000319940439 434229550 /nfs/dbraw/zinc/22/95/50/434229550.db2.gz SGGLISLDMZTWPJ-QGZVFWFLSA-N 1 0 319.405 3.037 20 5 DGBDRO CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353568480 434232597 /nfs/dbraw/zinc/23/25/97/434232597.db2.gz JMJAWCHZGRTCJZ-SUMWQHHRSA-N 1 0 305.422 3.291 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000320388003 434238366 /nfs/dbraw/zinc/23/83/66/434238366.db2.gz SIFUXPMMIQMFMK-ZDUSSCGKSA-N 1 0 314.389 3.285 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000340602211 434239274 /nfs/dbraw/zinc/23/92/74/434239274.db2.gz CWYCALKRKQOFHE-CYBMUJFWSA-N 1 0 320.311 3.121 20 5 DGBDRO CCc1ccc([C@@H](NCCC[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423197908 434280083 /nfs/dbraw/zinc/28/00/83/434280083.db2.gz BXGYDHVFFDGMDA-KRWDZBQOSA-N 1 0 317.389 3.039 20 5 DGBDRO N[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423238832 434306190 /nfs/dbraw/zinc/30/61/90/434306190.db2.gz JOXQONQIXUMZIW-ZWKOTPCHSA-N 1 0 311.385 3.262 20 5 DGBDRO Cc1c([C@H](C)N[C@@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000423261113 434320384 /nfs/dbraw/zinc/32/03/84/434320384.db2.gz JBRLDCMBIMZVMB-BBRMVZONSA-N 1 0 305.422 3.461 20 5 DGBDRO [NH3+]C[C@H]1CC[C@H](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000517358839 294670521 /nfs/dbraw/zinc/67/05/21/294670521.db2.gz PKIQQYMJIOILQG-HDJSIYSDSA-N 1 0 314.389 3.223 20 5 DGBDRO Cc1c([C@H](C)N[C@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000423261116 434325699 /nfs/dbraw/zinc/32/56/99/434325699.db2.gz JBRLDCMBIMZVMB-XJKSGUPXSA-N 1 0 305.422 3.461 20 5 DGBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)CC(C)(C)O ZINC000357997373 434277576 /nfs/dbraw/zinc/27/75/76/434277576.db2.gz CMUPCYZQQIIBPS-UHFFFAOYSA-N 1 0 324.421 3.365 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000390463925 434363429 /nfs/dbraw/zinc/36/34/29/434363429.db2.gz FRPROSKFPPPIDN-ZDUSSCGKSA-N 1 0 314.389 3.285 20 5 DGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358209417 434385044 /nfs/dbraw/zinc/38/50/44/434385044.db2.gz WYSBECVOTJYBOZ-CYBMUJFWSA-N 1 0 316.405 3.310 20 5 DGBDRO CC(C)(CCO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308224 434350288 /nfs/dbraw/zinc/35/02/88/434350288.db2.gz HQVZDXKSLFVQKB-INIZCTEOSA-N 1 0 306.406 3.361 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000395141231 434413996 /nfs/dbraw/zinc/41/39/96/434413996.db2.gz HRXWTOPALCRMDV-BBRMVZONSA-N 1 0 306.406 3.495 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000423421096 434416824 /nfs/dbraw/zinc/41/68/24/434416824.db2.gz JRTNHSPRGZFPHP-UGSOOPFHSA-N 1 0 311.385 3.132 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000340917436 434431740 /nfs/dbraw/zinc/43/17/40/434431740.db2.gz VQZFIZARXHISED-UHFFFAOYSA-N 1 0 310.313 3.112 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000438345553 434463625 /nfs/dbraw/zinc/46/36/25/434463625.db2.gz HWSLSBZNZVULGK-CYBMUJFWSA-N 1 0 322.405 3.480 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(F)c1 ZINC000295996300 434472001 /nfs/dbraw/zinc/47/20/01/434472001.db2.gz MIQOUCCQZAGWCX-NUEKZKHPSA-N 1 0 320.364 3.171 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000521601261 294879465 /nfs/dbraw/zinc/87/94/65/294879465.db2.gz VQUHFPDZIPGWKP-BIGNPOOSSA-N 1 0 312.797 3.397 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000450948946 434498276 /nfs/dbraw/zinc/49/82/76/434498276.db2.gz IFUWVPLTHCEXOG-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO Cc1cc(NCCC[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000402184019 434498495 /nfs/dbraw/zinc/49/84/95/434498495.db2.gz BQXLENLZUCZEOG-CYBMUJFWSA-N 1 0 315.373 3.102 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366571590 434451046 /nfs/dbraw/zinc/45/10/46/434451046.db2.gz XVIFLMPACYDIAE-SFHVURJKSA-N 1 0 317.433 3.246 20 5 DGBDRO CO[C@H](C)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000348838981 434521129 /nfs/dbraw/zinc/52/11/29/434521129.db2.gz SHDIPFYCDYPEBZ-GFCCVEGCSA-N 1 0 304.346 3.322 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000353925521 434528490 /nfs/dbraw/zinc/52/84/90/434528490.db2.gz YSEPYQKJXNRDMP-LBPRGKRZSA-N 1 0 322.409 3.009 20 5 DGBDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000366877522 434529182 /nfs/dbraw/zinc/52/91/82/434529182.db2.gz CFGATMWJYYSRNL-ZBFHGGJFSA-N 1 0 314.389 3.059 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CC[NH+](C)C)CC(C)C ZINC000348898996 434547486 /nfs/dbraw/zinc/54/74/86/434547486.db2.gz ZIIHTCWTNYOAAL-UHFFFAOYSA-N 1 0 323.437 3.013 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000360211527 434549520 /nfs/dbraw/zinc/54/95/20/434549520.db2.gz DTJRJLFOPHIWPC-VXGBXAGGSA-N 1 0 311.813 3.163 20 5 DGBDRO [NH3+]CCN(Cc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000348933077 434558400 /nfs/dbraw/zinc/55/84/00/434558400.db2.gz HDDMMHGKUYTSJR-UHFFFAOYSA-N 1 0 305.765 3.214 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1CO ZINC000527038866 295072830 /nfs/dbraw/zinc/07/28/30/295072830.db2.gz OOGPDDJZMZJQAK-ZROIWOOFSA-N 1 0 312.369 3.280 20 5 DGBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000354012783 434576111 /nfs/dbraw/zinc/57/61/11/434576111.db2.gz AVHOREODRFJFML-CYBMUJFWSA-N 1 0 319.405 3.291 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](CO)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000418131774 434595930 /nfs/dbraw/zinc/59/59/30/434595930.db2.gz WXCVRUIYTGLNDU-OAHLLOKOSA-N 1 0 322.405 3.024 20 5 DGBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459606153 434629446 /nfs/dbraw/zinc/62/94/46/434629446.db2.gz FCGXSJAKAXFCDW-MLGOLLRUSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459620354 434635329 /nfs/dbraw/zinc/63/53/29/434635329.db2.gz VXEKUUSRQIMAKT-SUMWQHHRSA-N 1 0 319.405 3.116 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000459632570 434639748 /nfs/dbraw/zinc/63/97/48/434639748.db2.gz LPASMJKRMHBNLC-BMFZPTHFSA-N 1 0 306.406 3.462 20 5 DGBDRO COCCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000418138098 434599180 /nfs/dbraw/zinc/59/91/80/434599180.db2.gz SEQUMKXAEWUREG-UHFFFAOYSA-N 1 0 318.320 3.055 20 5 DGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000459744931 434691918 /nfs/dbraw/zinc/69/19/18/434691918.db2.gz DWQDHEAWDFVPAS-KGLIPLIRSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@H](NC(=O)CC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452575371 434649991 /nfs/dbraw/zinc/64/99/91/434649991.db2.gz QAEKEFYKUAUBNN-KGLIPLIRSA-N 1 0 319.405 3.037 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000459733540 434685203 /nfs/dbraw/zinc/68/52/03/434685203.db2.gz GPXUKXUKARHJBB-JKSUJKDBSA-N 1 0 320.389 3.041 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCC3CCCC3)C2)nc1 ZINC000440485070 434706631 /nfs/dbraw/zinc/70/66/31/434706631.db2.gz HPPIFJZZUMEOPE-HNNXBMFYSA-N 1 0 318.421 3.446 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CCSCC(F)(F)F)cs1 ZINC000354290784 434707171 /nfs/dbraw/zinc/70/71/71/434707171.db2.gz XOHAJVXPGJZNLI-UHFFFAOYSA-N 1 0 300.327 3.041 20 5 DGBDRO C[C@H]1C[C@H](c2ccccc2F)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000360851970 434713011 /nfs/dbraw/zinc/71/30/11/434713011.db2.gz SZHOVQRRKLBKIN-SMDDNHRTSA-N 1 0 318.352 3.051 20 5 DGBDRO C[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459778915 434715346 /nfs/dbraw/zinc/71/53/46/434715346.db2.gz TYHBWEXIQNWQEE-LBPRGKRZSA-N 1 0 308.378 3.004 20 5 DGBDRO CCCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411166770 434736174 /nfs/dbraw/zinc/73/61/74/434736174.db2.gz MRLDBUSDLIPJMV-UHFFFAOYSA-N 1 0 305.378 3.188 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000441522533 434766762 /nfs/dbraw/zinc/76/67/62/434766762.db2.gz JWRAVNREXGAYHR-AWEZNQCLSA-N 1 0 322.405 3.493 20 5 DGBDRO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC(C)(C)C ZINC000361021860 434770789 /nfs/dbraw/zinc/77/07/89/434770789.db2.gz IEXKWPPSSLBLEZ-UHFFFAOYSA-N 1 0 310.394 3.480 20 5 DGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411306878 434761367 /nfs/dbraw/zinc/76/13/67/434761367.db2.gz WUANUWZGAQNLKI-TZMCWYRMSA-N 1 0 305.378 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(OC3CCC3)CC2)c1 ZINC000419291756 434762943 /nfs/dbraw/zinc/76/29/43/434762943.db2.gz XDJQJOJALJNBMJ-UHFFFAOYSA-N 1 0 320.389 3.007 20 5 DGBDRO CCC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000411775964 434828959 /nfs/dbraw/zinc/82/89/59/434828959.db2.gz UBDFJEWMMNZHMH-UHFFFAOYSA-N 1 0 305.378 3.236 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H](C)C2(OC)CCC2)ccc1[N+](=O)[O-] ZINC000412019013 434855303 /nfs/dbraw/zinc/85/53/03/434855303.db2.gz DCKFLWBDXNKKOO-LBPRGKRZSA-N 1 0 308.378 3.041 20 5 DGBDRO C[C@@H](CN1CCCCC1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573697000 434919837 /nfs/dbraw/zinc/91/98/37/434919837.db2.gz OPYGPMQFSLPVLL-XJKSGUPXSA-N 1 0 303.406 3.046 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462936548 434937230 /nfs/dbraw/zinc/93/72/30/434937230.db2.gz RMPVOEUPWFQLDU-CQSZACIVSA-N 1 0 307.369 3.410 20 5 DGBDRO CC(C)O[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463028261 434939973 /nfs/dbraw/zinc/93/99/73/434939973.db2.gz MGHUBOORUPJSLK-HOTGVXAUSA-N 1 0 322.405 3.155 20 5 DGBDRO C[N@H+](CCCC(=O)OC(C)(C)C)CCc1ccc([N+](=O)[O-])cc1 ZINC000523439940 434947767 /nfs/dbraw/zinc/94/77/67/434947767.db2.gz UGDIFSFBJSDPKB-UHFFFAOYSA-N 1 0 322.405 3.191 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3C=CCCCCC3)CC2)cn1 ZINC000555299241 434968264 /nfs/dbraw/zinc/96/82/64/434968264.db2.gz GFPCXQDAPCHGFN-OAHLLOKOSA-N 1 0 316.405 3.001 20 5 DGBDRO Cc1cccc(OCC[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000522268285 434921158 /nfs/dbraw/zinc/92/11/58/434921158.db2.gz VWEBWOYSXZXOIX-UHFFFAOYSA-N 1 0 314.385 3.457 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000557587827 435059041 /nfs/dbraw/zinc/05/90/41/435059041.db2.gz JCTRCJJMYAYPDN-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000530962799 435063892 /nfs/dbraw/zinc/06/38/92/435063892.db2.gz YAWMEQVCHSRDLL-QGZVFWFLSA-N 1 0 313.357 3.206 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H](CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000557272261 435048916 /nfs/dbraw/zinc/04/89/16/435048916.db2.gz JWCWFZVZBLQSBU-XJKSGUPXSA-N 1 0 306.406 3.495 20 5 DGBDRO CC(C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000467173507 435111174 /nfs/dbraw/zinc/11/11/74/435111174.db2.gz CWJMNOLNQSRGSO-ZIAGYGMSSA-N 1 0 319.405 3.290 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000578843921 435113551 /nfs/dbraw/zinc/11/35/51/435113551.db2.gz RPYQWFNZNXLYNK-CQSZACIVSA-N 1 0 316.357 3.060 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](CO)C1CCCCC1 ZINC000578882336 435117210 /nfs/dbraw/zinc/11/72/10/435117210.db2.gz KBCPVTANVXXOFY-RHSMWYFYSA-N 1 0 318.417 3.361 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000531978890 435131040 /nfs/dbraw/zinc/13/10/40/435131040.db2.gz CGDJKWPOBIVTKH-JBBXEZCESA-N 1 0 312.369 3.212 20 5 DGBDRO CC(C)C[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494104998 435193403 /nfs/dbraw/zinc/19/34/03/435193403.db2.gz GKDHCYFFRZAPSO-UHFFFAOYSA-N 1 0 311.813 3.022 20 5 DGBDRO COCC1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000579373964 435151373 /nfs/dbraw/zinc/15/13/73/435151373.db2.gz JODGFKSKUCZTFQ-SEEARECTSA-N 1 0 304.390 3.377 20 5 DGBDRO CCC[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240065 435152009 /nfs/dbraw/zinc/15/20/09/435152009.db2.gz GNVDNJUIJYJBFP-YOEHRIQHSA-N 1 0 305.422 3.367 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1O ZINC000532488410 435169926 /nfs/dbraw/zinc/16/99/26/435169926.db2.gz JSYKILGPCVVHBC-GFCCVEGCSA-N 1 0 316.357 3.468 20 5 DGBDRO CC(C)(C)CC[C@@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000475676563 435208015 /nfs/dbraw/zinc/20/80/15/435208015.db2.gz KEZWWEBERCATSN-LYASGUKUSA-N 1 0 306.406 3.385 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000579658965 435171915 /nfs/dbraw/zinc/17/19/15/435171915.db2.gz CHJWIZFDODYWRZ-CYBMUJFWSA-N 1 0 321.421 3.007 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000532572241 435179570 /nfs/dbraw/zinc/17/95/70/435179570.db2.gz NQEDELXTXBOZFA-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000533254971 435220503 /nfs/dbraw/zinc/22/05/03/435220503.db2.gz VQWCVDMLHUFDGZ-UHFFFAOYSA-N 1 0 319.405 3.434 20 5 DGBDRO COc1cccc(N[C@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000475725371 435210124 /nfs/dbraw/zinc/21/01/24/435210124.db2.gz YCXGRNQWYAJBQU-CYBMUJFWSA-N 1 0 307.394 3.280 20 5 DGBDRO CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000533435450 435235378 /nfs/dbraw/zinc/23/53/78/435235378.db2.gz BIPNGNNRWZXUAT-CQSZACIVSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+](CC2CC2)C(C)C)cccc1[N+](=O)[O-] ZINC000533495396 435240735 /nfs/dbraw/zinc/24/07/35/435240735.db2.gz WFQJOGQTKCKCOJ-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H](CCO)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180582332 298449708 /nfs/dbraw/zinc/44/97/08/298449708.db2.gz FUBAQLMZJLETKB-DYVFJYSZSA-N 1 0 300.358 3.045 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C[NH+]1CCCCCC1 ZINC000479605037 435341870 /nfs/dbraw/zinc/34/18/70/435341870.db2.gz VVISFUPDSWPUCP-OAHLLOKOSA-N 1 0 305.422 3.257 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767981 435471228 /nfs/dbraw/zinc/47/12/28/435471228.db2.gz CHLCGRAGNWDABH-PBHICJAKSA-N 1 0 317.433 3.292 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000516024374 435510736 /nfs/dbraw/zinc/51/07/36/435510736.db2.gz SFQJFXJLDXFEMD-XUWXXGDYSA-N 1 0 317.433 3.435 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000569258349 435519172 /nfs/dbraw/zinc/51/91/72/435519172.db2.gz CNKFLMQEKMFLJT-GUYCJALGSA-N 1 0 315.417 3.189 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000516315670 435525671 /nfs/dbraw/zinc/52/56/71/435525671.db2.gz PQPSNYYXGYWOKM-ABAIWWIYSA-N 1 0 316.332 3.388 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC2(C)C)cccc1[N+](=O)[O-] ZINC000516329930 435527293 /nfs/dbraw/zinc/52/72/93/435527293.db2.gz SBTUEPDLNSCBNN-FZMZJTMJSA-N 1 0 305.378 3.008 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000538403647 435497316 /nfs/dbraw/zinc/49/73/16/435497316.db2.gz QKKNMVVCBRPKBF-YJBOKZPZSA-N 1 0 312.369 3.367 20 5 DGBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000540646497 435611864 /nfs/dbraw/zinc/61/18/64/435611864.db2.gz OMKCUWSDZXJYPT-OLZOCXBDSA-N 1 0 314.389 3.346 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488716230 435640279 /nfs/dbraw/zinc/64/02/79/435640279.db2.gz QEITZKWHQZICOE-GFCCVEGCSA-N 1 0 321.396 3.353 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000488717990 435640923 /nfs/dbraw/zinc/64/09/23/435640923.db2.gz UAWVUTVIFLMSMS-AWEZNQCLSA-N 1 0 303.406 3.214 20 5 DGBDRO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488720661 435641539 /nfs/dbraw/zinc/64/15/39/435641539.db2.gz ZEPNEXBCIROTQF-GFCCVEGCSA-N 1 0 307.369 3.045 20 5 DGBDRO Cc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488734148 435642327 /nfs/dbraw/zinc/64/23/27/435642327.db2.gz MLGOMBMFVHIERH-SLEUVZQESA-N 1 0 321.396 3.209 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488747839 435642439 /nfs/dbraw/zinc/64/24/39/435642439.db2.gz OPTRBRCGUFZZET-CYBMUJFWSA-N 1 0 303.406 3.214 20 5 DGBDRO Cc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488749812 435643231 /nfs/dbraw/zinc/64/32/31/435643231.db2.gz JTNAJRZBBBNQQN-RVSPLBMKSA-N 1 0 303.406 3.070 20 5 DGBDRO Cc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488749814 435643824 /nfs/dbraw/zinc/64/38/24/435643824.db2.gz JTNAJRZBBBNQQN-SUYBPPKGSA-N 1 0 303.406 3.070 20 5 DGBDRO Cc1c(C[N@H+](C)CCc2ccccc2O)cccc1[N+](=O)[O-] ZINC000541390320 435644123 /nfs/dbraw/zinc/64/41/23/435644123.db2.gz PMZPGDBMSZXWPR-UHFFFAOYSA-N 1 0 300.358 3.283 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000548067052 435665250 /nfs/dbraw/zinc/66/52/50/435665250.db2.gz ZAFCHEZDOOKUGH-HZPDHXFCSA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1cccc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000549199745 435747953 /nfs/dbraw/zinc/74/79/53/435747953.db2.gz KUJFJYBVSYLMOV-DUVNUKRYSA-N 1 0 303.406 3.070 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCc2ccccc2CC1 ZINC000572460916 435828358 /nfs/dbraw/zinc/82/83/58/435828358.db2.gz JBULWRYFRSKTSW-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO Cc1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])c2cccc([N+](=O)[O-])c2n1 ZINC000420255725 301341152 /nfs/dbraw/zinc/34/11/52/301341152.db2.gz GGUGZMIHVHVKDE-YPMHNXCESA-N 1 0 314.389 3.015 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000530340413 313359639 /nfs/dbraw/zinc/35/96/39/313359639.db2.gz IMJPMZCKGPWZKD-NBBUPCKLSA-N 1 0 304.390 3.091 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000532025038 313512624 /nfs/dbraw/zinc/51/26/24/313512624.db2.gz RBKQZGJIFVYBJB-CXAGYDPISA-N 1 0 318.373 3.080 20 5 DGBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000534022893 313646677 /nfs/dbraw/zinc/64/66/77/313646677.db2.gz YPASZQFEHGJUOX-PBHICJAKSA-N 1 0 320.389 3.115 20 5 DGBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000537191189 313800507 /nfs/dbraw/zinc/80/05/07/313800507.db2.gz SOXJINNIQKYNOX-UHFFFAOYSA-N 1 0 314.389 3.045 20 5 DGBDRO COCC1([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000538550414 313867815 /nfs/dbraw/zinc/86/78/15/313867815.db2.gz YXRHCWNAENIOBJ-UKRRQHHQSA-N 1 0 304.390 3.075 20 5 DGBDRO Cc1cccc(NCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000539053639 313897048 /nfs/dbraw/zinc/89/70/48/313897048.db2.gz DULYIHYCOCAJHJ-CQSZACIVSA-N 1 0 314.389 3.369 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000539297932 313906813 /nfs/dbraw/zinc/90/68/13/313906813.db2.gz WOMKUSWGVUQSKI-JGGQBBKZSA-N 1 0 322.405 3.459 20 5 DGBDRO Cc1cc(N(C)C2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541187771 313999510 /nfs/dbraw/zinc/99/95/10/313999510.db2.gz WCTSTBUQIFZXPO-UHFFFAOYSA-N 1 0 301.346 3.067 20 5 DGBDRO CCc1cccnc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000541882655 314046390 /nfs/dbraw/zinc/04/63/90/314046390.db2.gz RQEQGYBNUTVNIN-ZDUSSCGKSA-N 1 0 315.373 3.282 20 5 DGBDRO COC(C)(C)CN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000542119866 314057919 /nfs/dbraw/zinc/05/79/19/314057919.db2.gz NDLUPCFPGLTDRL-UHFFFAOYSA-N 1 0 303.362 3.313 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000542319133 314070168 /nfs/dbraw/zinc/07/01/68/314070168.db2.gz CSPCXGAPCZDSJS-CHWSQXEVSA-N 1 0 319.405 3.290 20 5 DGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000543421404 314132923 /nfs/dbraw/zinc/13/29/23/314132923.db2.gz BFJUHZCSXOWZGA-LBPRGKRZSA-N 1 0 321.421 3.113 20 5 DGBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)C ZINC000543455368 314136106 /nfs/dbraw/zinc/13/61/06/314136106.db2.gz YIVLCBXCGSQRJG-HNNXBMFYSA-N 1 0 310.394 3.143 20 5 DGBDRO CCOc1cccc(N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000545163316 314229450 /nfs/dbraw/zinc/22/94/50/314229450.db2.gz ISOYZXMZQWSVOX-CQSZACIVSA-N 1 0 321.421 3.304 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000550895621 314544804 /nfs/dbraw/zinc/54/48/04/314544804.db2.gz PPKIVJHVGLZRKJ-CJNGLKHVSA-N 1 0 306.406 3.434 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](C2CCCCC2)CC1 ZINC000557627487 314812826 /nfs/dbraw/zinc/81/28/26/314812826.db2.gz MFIVKXNXAADWNP-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO C[NH+](C)C(C)(C)CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000563264183 315096434 /nfs/dbraw/zinc/09/64/34/315096434.db2.gz OLFSUCCPYUGMDP-LBPRGKRZSA-N 1 0 319.327 3.128 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000564574545 315184341 /nfs/dbraw/zinc/18/43/41/315184341.db2.gz JVYNKVMNAKHUSB-LBPRGKRZSA-N 1 0 307.394 3.330 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1Cc2ccccc2C1 ZINC000564618885 315186091 /nfs/dbraw/zinc/18/60/91/315186091.db2.gz MMSVBSGJUFSIQT-UHFFFAOYSA-N 1 0 310.397 3.484 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOc1ccc(F)cc1 ZINC000565218915 315243435 /nfs/dbraw/zinc/24/34/35/315243435.db2.gz TVFYKFGQNZGKFX-INIZCTEOSA-N 1 0 316.332 3.390 20 5 DGBDRO Cc1cc(N2CC[C@@H]3OCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000565536925 315268857 /nfs/dbraw/zinc/26/88/57/315268857.db2.gz QPKARRRHYLCVPN-PXAZEXFGSA-N 1 0 313.357 3.067 20 5 DGBDRO [NH3+]C1(c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)CCCC1 ZINC000565598379 315273361 /nfs/dbraw/zinc/27/33/61/315273361.db2.gz XGWGOBWVVAIVKA-XQRVVYSFSA-N 1 0 318.308 3.015 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)C1CCCCC1 ZINC000566475989 315351270 /nfs/dbraw/zinc/35/12/70/315351270.db2.gz RRPAKQKZQXSECA-NVXWUHKLSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000573137676 315843650 /nfs/dbraw/zinc/84/36/50/315843650.db2.gz WAFFDDKENRUOMP-ISTRZQFTSA-N 1 0 302.374 3.129 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000574338833 315956624 /nfs/dbraw/zinc/95/66/24/315956624.db2.gz DMQFBHNFRPCXOA-MRXNPFEDSA-N 1 0 314.389 3.075 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000575000337 316023872 /nfs/dbraw/zinc/02/38/72/316023872.db2.gz VSACJHOSSAZDIK-YUTCNCBUSA-N 1 0 310.781 3.151 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000575355126 316049784 /nfs/dbraw/zinc/04/97/84/316049784.db2.gz OVABJHJLMLZNQD-LBPRGKRZSA-N 1 0 307.394 3.330 20 5 DGBDRO Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575922748 316076023 /nfs/dbraw/zinc/07/60/23/316076023.db2.gz HLUSQZIZTOCDBS-IUCAKERBSA-N 1 0 305.300 3.460 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1O ZINC000576649271 316153596 /nfs/dbraw/zinc/15/35/96/316153596.db2.gz ZKMZCZZNFCNTIV-CQSZACIVSA-N 1 0 314.341 3.086 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000577599045 316251363 /nfs/dbraw/zinc/25/13/63/316251363.db2.gz NMXOCLNHENGQHB-INIZCTEOSA-N 1 0 303.406 3.010 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCC3(CCCO3)CC2)cc1 ZINC000577998534 316292542 /nfs/dbraw/zinc/29/25/42/316292542.db2.gz SXWRMZHXNCRWMH-UHFFFAOYSA-N 1 0 320.389 3.055 20 5 DGBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)c1ccccc1 ZINC000180013343 323219905 /nfs/dbraw/zinc/21/99/05/323219905.db2.gz ITDRVGZKWABDPW-OAHLLOKOSA-N 1 0 316.405 3.137 20 5 DGBDRO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000181634127 323261605 /nfs/dbraw/zinc/26/16/05/323261605.db2.gz BMWPBBBULOMFOP-OAHLLOKOSA-N 1 0 324.331 3.056 20 5 DGBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181634026 323261751 /nfs/dbraw/zinc/26/17/51/323261751.db2.gz QPUVFPJBWYGLBK-HNNXBMFYSA-N 1 0 324.331 3.056 20 5 DGBDRO CC[NH+](CC)CCCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000181830221 323270954 /nfs/dbraw/zinc/27/09/54/323270954.db2.gz OLRDAEJKZDZOJX-UHFFFAOYSA-N 1 0 320.437 3.328 20 5 DGBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000182419276 323298106 /nfs/dbraw/zinc/29/81/06/323298106.db2.gz DZKTXMZEFRBNKY-HNNXBMFYSA-N 1 0 319.361 3.319 20 5 DGBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000182475445 323301017 /nfs/dbraw/zinc/30/10/17/323301017.db2.gz ZCIOULDORWNUHV-OAHLLOKOSA-N 1 0 319.361 3.319 20 5 DGBDRO COc1cccc2c1CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000182687935 323308801 /nfs/dbraw/zinc/30/88/01/323308801.db2.gz BYHFYGDCOQFACF-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO [NH3+]CCCN(Cc1csc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000183221250 323330374 /nfs/dbraw/zinc/33/03/74/323330374.db2.gz CWIFAWQDLQZRRA-UHFFFAOYSA-N 1 0 309.366 3.151 20 5 DGBDRO Cc1csc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])n1 ZINC000184215516 323358337 /nfs/dbraw/zinc/35/83/37/323358337.db2.gz HVSXFDQIIDEFSD-NSHDSACASA-N 1 0 307.375 3.089 20 5 DGBDRO CCCC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC1 ZINC000184886883 323376649 /nfs/dbraw/zinc/37/66/49/323376649.db2.gz PTSJLMLQMCLWBM-OAHLLOKOSA-N 1 0 319.405 3.142 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H](CO)C1CCCCC1 ZINC000395294456 323677105 /nfs/dbraw/zinc/67/71/05/323677105.db2.gz PRZIQYNPIHJDTH-CQSZACIVSA-N 1 0 312.797 3.279 20 5 DGBDRO CCC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000579494737 323878497 /nfs/dbraw/zinc/87/84/97/323878497.db2.gz ZJDXUJLLCBAYSJ-OAHLLOKOSA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000580582127 324016151 /nfs/dbraw/zinc/01/61/51/324016151.db2.gz MACBJUMFFZPNTD-XJKCOSOUSA-N 1 0 304.390 3.377 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@@H]3C=CCCCCC3)C2)nc1 ZINC000581501640 324124436 /nfs/dbraw/zinc/12/44/36/324124436.db2.gz FPEFJKCZXOLRQP-LSDHHAIUSA-N 1 0 316.405 3.365 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC(C2CC2)C2CC2)n1 ZINC000581528195 324126782 /nfs/dbraw/zinc/12/67/82/324126782.db2.gz SZKXUWWGHJLWHX-HOTGVXAUSA-N 1 0 318.421 3.301 20 5 DGBDRO CC(C)CC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000581602950 324135317 /nfs/dbraw/zinc/13/53/17/324135317.db2.gz CCZTWAQBOLIGNN-UHFFFAOYSA-N 1 0 319.405 3.339 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1COc2ccccc2C1 ZINC000582497287 324237759 /nfs/dbraw/zinc/23/77/59/324237759.db2.gz QTSLBJQXDOKUQQ-CJNGLKHVSA-N 1 0 310.353 3.175 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000583631535 324378019 /nfs/dbraw/zinc/37/80/19/324378019.db2.gz DIMLORWAIPOPBB-IMXKFXGHSA-N 1 0 309.369 3.493 20 5 DGBDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000430219127 533713418 /nfs/dbraw/zinc/71/34/18/533713418.db2.gz KXQVWEPZGJTNQY-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192800526 500642764 /nfs/dbraw/zinc/64/27/64/500642764.db2.gz NYUNWYDBTGCJJZ-OLZOCXBDSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000319343724 533759898 /nfs/dbraw/zinc/75/98/98/533759898.db2.gz PDNBIAUJMDYYFW-TZMCWYRMSA-N 1 0 310.369 3.249 20 5 DGBDRO Cc1c(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000173959919 533842890 /nfs/dbraw/zinc/84/28/90/533842890.db2.gz WYHFKPDKJNVQKD-INIZCTEOSA-N 1 0 305.422 3.209 20 5 DGBDRO C[C@H](CCCO)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305790110 533886604 /nfs/dbraw/zinc/88/66/04/533886604.db2.gz AXVNIPZZXVYDIT-RDTXWAMCSA-N 1 0 314.385 3.435 20 5 DGBDRO C[C@H](CCNc1ncc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000302123458 533945241 /nfs/dbraw/zinc/94/52/41/533945241.db2.gz FBYGFCHJYCAEAB-LLVKDONJSA-N 1 0 312.801 3.320 20 5 DGBDRO COc1ccccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000154972584 534047577 /nfs/dbraw/zinc/04/75/77/534047577.db2.gz BDLHLCAXUILAEF-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411306483 534230568 /nfs/dbraw/zinc/23/05/68/534230568.db2.gz GEAWZQCGFUJODQ-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000178777372 534328081 /nfs/dbraw/zinc/32/80/81/534328081.db2.gz VVPGIBBGLJLXMQ-CQSZACIVSA-N 1 0 306.410 3.078 20 5 DGBDRO CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000163588452 522823397 /nfs/dbraw/zinc/82/33/97/522823397.db2.gz XIHPNVXJGJWLAL-CQSZACIVSA-N 1 0 308.378 3.367 20 5 DGBDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000297417958 534750929 /nfs/dbraw/zinc/75/09/29/534750929.db2.gz UMTKPKHZURBPFD-WDEREUQCSA-N 1 0 300.362 3.413 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148454436 524105875 /nfs/dbraw/zinc/10/58/75/524105875.db2.gz HHZKJWXZFBHAAI-LLVKDONJSA-N 1 0 312.801 3.320 20 5 DGBDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000156435810 525708681 /nfs/dbraw/zinc/70/86/81/525708681.db2.gz HIXWXGBXWYIPAP-CXAGYDPISA-N 1 0 314.389 3.183 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3CC(O)C3)o2)cc1 ZINC000432364432 534881478 /nfs/dbraw/zinc/88/14/78/534881478.db2.gz IXWWZGBJRUQJNG-UHFFFAOYSA-N 1 0 316.357 3.105 20 5 DGBDRO CC(C)(CO)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000294727529 527201695 /nfs/dbraw/zinc/20/16/95/527201695.db2.gz GCQDXOCRGVORRM-UHFFFAOYSA-N 1 0 321.204 3.400 20 5 DGBDRO CC(C)CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000431803887 527724817 /nfs/dbraw/zinc/72/48/17/527724817.db2.gz DERWVJRTMXJGGB-UHFFFAOYSA-N 1 0 306.410 3.160 20 5 DGBDRO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312429 527967611 /nfs/dbraw/zinc/96/76/11/527967611.db2.gz NRKYDZAHTYWWMJ-IAGOWNOFSA-N 1 0 306.406 3.359 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414146885 528086881 /nfs/dbraw/zinc/08/68/81/528086881.db2.gz PRGJEVDYBKDWFP-IXDOHACOSA-N 1 0 318.417 3.462 20 5 DGBDRO CC[NH+](CC)CCCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000178870418 528100435 /nfs/dbraw/zinc/10/04/35/528100435.db2.gz LGUZTANNOABJAL-UHFFFAOYSA-N 1 0 301.337 3.407 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC[C@H]([NH3+])C(C)C ZINC000430576837 528209778 /nfs/dbraw/zinc/20/97/78/528209778.db2.gz YHPZDASANNGOCX-INIZCTEOSA-N 1 0 323.437 3.187 20 5 DGBDRO CCC[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000315263808 528240119 /nfs/dbraw/zinc/24/01/19/528240119.db2.gz DVZFVEUZDBOMIF-YOEHRIQHSA-N 1 0 303.406 3.262 20 5 DGBDRO CC(C)[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000430094020 528580679 /nfs/dbraw/zinc/58/06/79/528580679.db2.gz JTKFFYGNGFMEHT-ZGRWHYIRSA-N 1 0 318.417 3.385 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301559371 529003791 /nfs/dbraw/zinc/00/37/91/529003791.db2.gz UDOKEZHPGMIWLA-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000434901619 529117407 /nfs/dbraw/zinc/11/74/07/529117407.db2.gz XOIBQWBLZJTHNG-UHFFFAOYSA-N 1 0 310.419 3.191 20 5 DGBDRO CC[C@H](C)[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000296006554 529180593 /nfs/dbraw/zinc/18/05/93/529180593.db2.gz MDACUCSGYLIFJU-VIFPVBQESA-N 1 0 318.320 3.135 20 5 DGBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433115056 529225136 /nfs/dbraw/zinc/22/51/36/529225136.db2.gz HOCPBORWRJYYDT-UVBJJODRSA-N 1 0 306.406 3.314 20 5 DGBDRO CCC(CC)(CO)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468621813 534991778 /nfs/dbraw/zinc/99/17/78/534991778.db2.gz ZANNPJSVUJVOAE-NTEUORMPSA-N 1 0 306.406 3.386 20 5 DGBDRO CCOc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1F ZINC000468000223 535724732 /nfs/dbraw/zinc/72/47/32/535724732.db2.gz LSVCBRDEOSVKLQ-UHFFFAOYSA-N 1 0 318.348 3.465 20 5 DGBDRO CC[C@H](NC(=O)[C@H](CC(C)(C)C)[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000449149631 535844722 /nfs/dbraw/zinc/84/47/22/535844722.db2.gz OBRBNASIPUJKNQ-GJZGRUSLSA-N 1 0 321.421 3.186 20 5 DGBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449641201 536009217 /nfs/dbraw/zinc/00/92/17/536009217.db2.gz UPTGUHCGMFMQKS-HOTGVXAUSA-N 1 0 318.373 3.494 20 5 DGBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000449147891 536352795 /nfs/dbraw/zinc/35/27/95/536352795.db2.gz IKEWHQGDIRSVAA-JSGCOSHPSA-N 1 0 321.421 3.105 20 5 DGBDRO CCC(CC)(CO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000229208202 546271655 /nfs/dbraw/zinc/27/16/55/546271655.db2.gz GXEPBHJWKBPPHE-UHFFFAOYSA-N 1 0 300.786 3.137 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnc3ccccc3c2)cc1 ZINC000731678415 574556517 /nfs/dbraw/zinc/55/65/17/574556517.db2.gz BGMDUMKPBYZEEP-UHFFFAOYSA-N 1 0 323.352 3.312 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000733329971 574616576 /nfs/dbraw/zinc/61/65/76/574616576.db2.gz MTNANYOSYXWWCD-ZDUSSCGKSA-N 1 0 320.311 3.385 20 5 DGBDRO CC[C@H]1CCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728900280 575192745 /nfs/dbraw/zinc/19/27/45/575192745.db2.gz ITZUVYCBGKPTKU-HNNXBMFYSA-N 1 0 300.362 3.290 20 5 DGBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000740870592 574944165 /nfs/dbraw/zinc/94/41/65/574944165.db2.gz FZOHFTGYDILELK-IUODEOHRSA-N 1 0 319.405 3.106 20 5 DGBDRO CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@@H](C)C(C)C ZINC000742146615 574982192 /nfs/dbraw/zinc/98/21/92/574982192.db2.gz IQKGFYCYTDOORJ-ZDUSSCGKSA-N 1 0 317.393 3.177 20 5 DGBDRO Cc1cccc2c1CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000729480260 575252682 /nfs/dbraw/zinc/25/26/82/575252682.db2.gz RDGDBRZQFGKLBM-UHFFFAOYSA-N 1 0 312.369 3.340 20 5 DGBDRO CN1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000729682614 575260325 /nfs/dbraw/zinc/26/03/25/575260325.db2.gz WSOQGJGHYLQSSP-ZDUSSCGKSA-N 1 0 317.414 3.117 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000747531999 575523758 /nfs/dbraw/zinc/52/37/58/575523758.db2.gz GIIUIKZFZUCDNA-MRXNPFEDSA-N 1 0 308.353 3.127 20 5 DGBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000748791245 575606739 /nfs/dbraw/zinc/60/67/39/575606739.db2.gz GEBPIXNJQLPZHE-AWEZNQCLSA-N 1 0 302.378 3.413 20 5 DGBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000749155943 575631060 /nfs/dbraw/zinc/63/10/60/575631060.db2.gz KRQNJNHFOICMRH-PXAZEXFGSA-N 1 0 324.396 3.401 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000749661728 575671203 /nfs/dbraw/zinc/67/12/03/575671203.db2.gz IWYNLNISYCVNIV-HOCLYGCPSA-N 1 0 318.398 3.431 20 5 DGBDRO C[N@@H+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000749812705 575680529 /nfs/dbraw/zinc/68/05/29/575680529.db2.gz WJOXTDUOSDAOPA-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO CCC(CC)C[N@H+](CC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749938833 575689989 /nfs/dbraw/zinc/68/99/89/575689989.db2.gz MFNRMBADQGCRQX-UHFFFAOYSA-N 1 0 319.409 3.364 20 5 DGBDRO Cc1nn(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749955907 575692405 /nfs/dbraw/zinc/69/24/05/575692405.db2.gz UYVNXNKZNIJVAC-VXGBXAGGSA-N 1 0 317.393 3.116 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000750252416 575714859 /nfs/dbraw/zinc/71/48/59/575714859.db2.gz KGRJHUDSAZXKKK-NEPJUHHUSA-N 1 0 310.781 3.107 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)[C@@H]1C ZINC000751939476 575813461 /nfs/dbraw/zinc/81/34/61/575813461.db2.gz FTCVXKQYACLUHG-CHWSQXEVSA-N 1 0 300.362 3.146 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000852649878 620637550 /nfs/dbraw/zinc/63/75/50/620637550.db2.gz CPOBYGZETFDHDR-YQGLWYKZSA-N 1 0 310.369 3.135 20 5 DGBDRO [NH3+]C[C@H]1CCc2ccccc2N1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852756176 620646090 /nfs/dbraw/zinc/64/60/90/620646090.db2.gz XUHFXBBRBUFXGH-OAHLLOKOSA-N 1 0 315.348 3.014 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000852762109 620646670 /nfs/dbraw/zinc/64/66/70/620646670.db2.gz YRZACHAVKRFWBS-WHDUELSGSA-N 1 0 324.380 3.249 20 5 DGBDRO Cc1ccc(CN2CC[NH+](CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000917643456 620679962 /nfs/dbraw/zinc/67/99/62/620679962.db2.gz RYZYLJXBVHTTJM-UHFFFAOYSA-N 1 0 319.449 3.457 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)c1 ZINC000918197878 620700588 /nfs/dbraw/zinc/70/05/88/620700588.db2.gz ODUHNDGSYOIJBE-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000926302068 617932337 /nfs/dbraw/zinc/93/23/37/617932337.db2.gz IGEDHIONNNAWOT-GWCFXTLKSA-N 1 0 318.295 3.128 20 5 DGBDRO COc1c(O)ccc(CN(C)Cc2ccc(C)s2)c1[N+](=O)[O-] ZINC000891923857 617926719 /nfs/dbraw/zinc/92/67/19/617926719.db2.gz QFQPFCCFTNGUHV-UHFFFAOYSA-N 1 0 322.386 3.311 20 5 DGBDRO C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000892620485 618120568 /nfs/dbraw/zinc/12/05/68/618120568.db2.gz CBOZNKMDLNERLL-NSHDSACASA-N 1 0 300.362 3.057 20 5 DGBDRO COC(=O)c1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000894542228 618377597 /nfs/dbraw/zinc/37/75/97/618377597.db2.gz HZFWDZLXXKWWGV-UHFFFAOYSA-N 1 0 320.370 3.041 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCO[C@H]1CCCCO1 ZINC000894796907 618459205 /nfs/dbraw/zinc/45/92/05/618459205.db2.gz MTHZILOADHICPW-WKOYGUFESA-N 1 0 320.389 3.131 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCO[C@H]1CCCCO1 ZINC000894799897 618460250 /nfs/dbraw/zinc/46/02/50/618460250.db2.gz PUHPHCPJIKRWEK-YOEHRIQHSA-N 1 0 322.405 3.049 20 5 DGBDRO C[NH+](C)C1(C)CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000894849133 618476214 /nfs/dbraw/zinc/47/62/14/618476214.db2.gz AIIFXZLBORVPAY-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(O)cc(F)c1 ZINC000925641882 618518195 /nfs/dbraw/zinc/51/81/95/618518195.db2.gz PRCARAARVASTBI-LLVKDONJSA-N 1 0 304.321 3.333 20 5 DGBDRO Cc1ccncc1CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895333370 618595907 /nfs/dbraw/zinc/59/59/07/618595907.db2.gz GYVRCFWLGRQQRO-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H]3CCc4ccccc43)nc2c1 ZINC000894056394 618701043 /nfs/dbraw/zinc/70/10/43/618701043.db2.gz HEIDVJMIWCRQQI-ZDUSSCGKSA-N 1 0 322.368 3.291 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000895564570 618799646 /nfs/dbraw/zinc/79/96/46/618799646.db2.gz IZFURJPOHNCZOX-GXDHUFHOSA-N 1 0 303.406 3.024 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000895569038 618801792 /nfs/dbraw/zinc/80/17/92/618801792.db2.gz RDCVUMXRJXCJNW-VIFPVBQESA-N 1 0 306.259 3.405 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895846938 618841428 /nfs/dbraw/zinc/84/14/28/618841428.db2.gz SCSOZBHIXAKMMZ-BAUXQTRNSA-N 1 0 302.374 3.109 20 5 DGBDRO C[NH+](C)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1cccnc1 ZINC000895892391 618846556 /nfs/dbraw/zinc/84/65/56/618846556.db2.gz XNWFWJTUWUFSPB-OAHLLOKOSA-N 1 0 318.352 3.234 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000895931556 618850560 /nfs/dbraw/zinc/85/05/60/618850560.db2.gz NPKQXAQABURYLT-RIEGTJTDSA-N 1 0 310.781 3.295 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897034103 619004616 /nfs/dbraw/zinc/00/46/16/619004616.db2.gz GNSNMIBDQZXIEY-UHFFFAOYSA-N 1 0 318.417 3.339 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H]2CCC3(CCC3)O2)cc1 ZINC000897245729 619036286 /nfs/dbraw/zinc/03/62/86/619036286.db2.gz HSNCQNNGCGGEQL-MRXNPFEDSA-N 1 0 304.390 3.219 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000897461270 619130360 /nfs/dbraw/zinc/13/03/60/619130360.db2.gz ZAVHNDOEZSHDFB-JLWDMWFOSA-N 1 0 316.401 3.101 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cc(F)ncc1F)c1ccccc1[N+](=O)[O-] ZINC000897464346 619130573 /nfs/dbraw/zinc/13/05/73/619130573.db2.gz LNDFMAYPMXTHIR-JTQLQIEISA-N 1 0 307.300 3.161 20 5 DGBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H](C)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000897465473 619130637 /nfs/dbraw/zinc/13/06/37/619130637.db2.gz WVUHCNSYKRFXEB-AALSBFMBSA-N 1 0 318.417 3.492 20 5 DGBDRO C[C@@H](CC1CCOCC1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466671 619130867 /nfs/dbraw/zinc/13/08/67/619130867.db2.gz ZCUJNOUSCHCUAO-KGLIPLIRSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000897469956 619131887 /nfs/dbraw/zinc/13/18/87/619131887.db2.gz UUULLEBEVFPVEP-GFCCVEGCSA-N 1 0 315.329 3.396 20 5 DGBDRO C[C@H]1CC2(CC([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)CO1 ZINC000897776841 619179595 /nfs/dbraw/zinc/17/95/95/619179595.db2.gz YDKAENUZIVWNFH-PHZWHPFASA-N 1 0 302.374 3.129 20 5 DGBDRO C[C@@H]1CC2(CC([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)CO1 ZINC000897776840 619179661 /nfs/dbraw/zinc/17/96/61/619179661.db2.gz YDKAENUZIVWNFH-MRNPNLAOSA-N 1 0 302.374 3.129 20 5 DGBDRO C[C@@H]1CC2(CC([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)CO1 ZINC000897778104 619180989 /nfs/dbraw/zinc/18/09/89/619180989.db2.gz DZEDZXQCBFVRFK-CKQAKLJMSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897780826 619182099 /nfs/dbraw/zinc/18/20/99/619182099.db2.gz ZQNLCVFWUKGDSY-RTTWGWCOSA-N 1 0 318.417 3.463 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897780824 619182110 /nfs/dbraw/zinc/18/21/10/619182110.db2.gz ZQNLCVFWUKGDSY-GPIMWBBRSA-N 1 0 318.417 3.463 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCSC(C)(C)C2)cc1[N+](=O)[O-] ZINC000897796921 619183371 /nfs/dbraw/zinc/18/33/71/619183371.db2.gz AOSLBYSMOPQOIH-LBPRGKRZSA-N 1 0 310.419 3.367 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCOC12CCCC2 ZINC000898113349 619215337 /nfs/dbraw/zinc/21/53/37/619215337.db2.gz XTMCQJSNLFFYHX-YERXGYGTSA-N 1 0 302.374 3.299 20 5 DGBDRO [NH3+]C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC000841039163 619241138 /nfs/dbraw/zinc/24/11/38/619241138.db2.gz DEKQSBSGDOSRFX-OAHLLOKOSA-N 1 0 311.813 3.245 20 5 DGBDRO C[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000926939643 619251103 /nfs/dbraw/zinc/25/11/03/619251103.db2.gz XGTYNDWHQGPHDA-NSHDSACASA-N 1 0 317.414 3.433 20 5 DGBDRO CCC[C@H](O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000927018806 619257020 /nfs/dbraw/zinc/25/70/20/619257020.db2.gz OSTBYWYMLCWSSC-JKSUJKDBSA-N 1 0 306.406 3.057 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000898388027 619270428 /nfs/dbraw/zinc/27/04/28/619270428.db2.gz VWYLPFKLXCVZHP-LZZACLKFSA-N 1 0 324.380 3.246 20 5 DGBDRO C[C@]12CSC[C@H]1C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000898422980 619274827 /nfs/dbraw/zinc/27/48/27/619274827.db2.gz PSHBFJLVICRGLU-WQDDEOEWSA-N 1 0 304.415 3.293 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOC1CCSCC1 ZINC000898434172 619275416 /nfs/dbraw/zinc/27/54/16/619275416.db2.gz IBXVGWAKTCONJH-UHFFFAOYSA-N 1 0 324.446 3.213 20 5 DGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc2C1 ZINC000902853478 619685463 /nfs/dbraw/zinc/68/54/63/619685463.db2.gz OBGUWWXBUHUMMY-BBRMVZONSA-N 1 0 312.369 3.324 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc([N+](=O)[O-])c1 ZINC000903099674 619716358 /nfs/dbraw/zinc/71/63/58/619716358.db2.gz LIFCKDOKTFGLFM-MZORAGNBSA-N 1 0 320.389 3.068 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000903127850 619722571 /nfs/dbraw/zinc/72/25/71/619722571.db2.gz MVFBXDORYOCKLD-UVBJJODRSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](CO)CC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903126674 619722610 /nfs/dbraw/zinc/72/26/10/619722610.db2.gz UGEOHGJNNBQMEP-AAEUAGOBSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903147734 619728883 /nfs/dbraw/zinc/72/88/83/619728883.db2.gz RZPGGTFUVALNJT-FRRDWIJNSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCC2(OC)CCC2)cc([N+](=O)[O-])c1 ZINC000903176158 619730221 /nfs/dbraw/zinc/73/02/21/619730221.db2.gz YMZSBXGIDBLPRF-LBPRGKRZSA-N 1 0 308.378 3.213 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@](C)(OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903175140 619730324 /nfs/dbraw/zinc/73/03/24/619730324.db2.gz QFDAEYSFMKZLMK-MEDUHNTESA-N 1 0 308.378 3.069 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1 ZINC000903181910 619731693 /nfs/dbraw/zinc/73/16/93/619731693.db2.gz YFCHYUCOFPIPAP-BIMULSAOSA-N 1 0 318.295 3.355 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1 ZINC000903181912 619731755 /nfs/dbraw/zinc/73/17/55/619731755.db2.gz YFCHYUCOFPIPAP-XDTLVQLUSA-N 1 0 318.295 3.355 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903184374 619732020 /nfs/dbraw/zinc/73/20/20/619732020.db2.gz WESKUHQJKYSJDK-KFNAQCHYSA-N 1 0 308.378 3.210 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCSC2)cc([N+](=O)[O-])c1 ZINC000903169649 619733136 /nfs/dbraw/zinc/73/31/36/619733136.db2.gz CDPOTNIAOMBMEA-VXGBXAGGSA-N 1 0 310.419 3.397 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)COCC2CC2)cc([N+](=O)[O-])c1 ZINC000903193097 619733455 /nfs/dbraw/zinc/73/34/55/619733455.db2.gz CKFDZLBYJMATOE-NWDGAFQWSA-N 1 0 308.378 3.069 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903193948 619733506 /nfs/dbraw/zinc/73/35/06/619733506.db2.gz IHVLQFGRCKOYQN-OUCADQQQSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCC2CC(OC)C2)cc([N+](=O)[O-])c1 ZINC000903195879 619733990 /nfs/dbraw/zinc/73/39/90/619733990.db2.gz CFDHFHJSAPXFLN-BZUNDVKYSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCC2CC(OC)C2)cc([N+](=O)[O-])c1 ZINC000903195880 619734222 /nfs/dbraw/zinc/73/42/22/619734222.db2.gz CFDHFHJSAPXFLN-XIKARTHZSA-N 1 0 308.378 3.069 20 5 DGBDRO COCC1(CC[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903191523 619737450 /nfs/dbraw/zinc/73/74/50/619737450.db2.gz AMOAPJPYCPZUIK-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO COCC1(CC[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903191522 619737632 /nfs/dbraw/zinc/73/76/32/619737632.db2.gz AMOAPJPYCPZUIK-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](CO)CCC(C)C)cc([N+](=O)[O-])c1 ZINC000903208124 619738786 /nfs/dbraw/zinc/73/87/86/619738786.db2.gz ZTOZDIALKDELNP-GXTWGEPZSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CC(C)(C)CO2)cc([N+](=O)[O-])c1 ZINC000903216964 619740357 /nfs/dbraw/zinc/74/03/57/619740357.db2.gz LUJMYYJJBUKKSR-ABAIWWIYSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000903246342 619742243 /nfs/dbraw/zinc/74/22/43/619742243.db2.gz SYWLLSOKEVRCOJ-MNOVXSKESA-N 1 0 305.334 3.046 20 5 DGBDRO C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000903244825 619743415 /nfs/dbraw/zinc/74/34/15/619743415.db2.gz DYWADXJSWQPIRA-DDUZABMNSA-N 1 0 318.417 3.493 20 5 DGBDRO Cc1nccnc1[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245855 619743873 /nfs/dbraw/zinc/74/38/73/619743873.db2.gz PAKVEDQXKGRRFW-WCQYABFASA-N 1 0 300.362 3.148 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C2([C@@H]3CCCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000903228174 619744111 /nfs/dbraw/zinc/74/41/11/619744111.db2.gz QEHRFQWFZRJEIG-WBMJQRKESA-N 1 0 320.389 3.356 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000903253771 619745180 /nfs/dbraw/zinc/74/51/80/619745180.db2.gz RJKDUSHTMMKEFM-PJODQICGSA-N 1 0 320.389 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(C3(O)CCC3)CC1)CCC2 ZINC000903257894 619746150 /nfs/dbraw/zinc/74/61/50/619746150.db2.gz MUOHHELGMKATSO-INIZCTEOSA-N 1 0 316.401 3.257 20 5 DGBDRO CC[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903258881 619746556 /nfs/dbraw/zinc/74/65/56/619746556.db2.gz IBJNBUOJYYGARC-OAHLLOKOSA-N 1 0 304.390 3.331 20 5 DGBDRO C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1c(F)cccc1[N+](=O)[O-] ZINC000903280561 619751607 /nfs/dbraw/zinc/75/16/07/619751607.db2.gz VKZDGDMTLNVRNX-CIMLABBMSA-N 1 0 308.353 3.342 20 5 DGBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000903287931 619754499 /nfs/dbraw/zinc/75/44/99/619754499.db2.gz TYRCKWJZDMTXNA-ZJBDGZLFSA-N 1 0 304.390 3.449 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288286 619754831 /nfs/dbraw/zinc/75/48/31/619754831.db2.gz WADMMCVHHAHRAO-SUZMYJTESA-N 1 0 318.295 3.355 20 5 DGBDRO C[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000903289743 619755277 /nfs/dbraw/zinc/75/52/77/619755277.db2.gz NVLYDSLNZAYZMX-PBHICJAKSA-N 1 0 314.385 3.239 20 5 DGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc3nonc3c2)cccc1[N+](=O)[O-] ZINC000903326892 619761690 /nfs/dbraw/zinc/76/16/90/619761690.db2.gz VLFDSHPIDZMJFZ-NSHDSACASA-N 1 0 312.329 3.290 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(C)(C)OC)cc1[N+](=O)[O-] ZINC000903332410 619762868 /nfs/dbraw/zinc/76/28/68/619762868.db2.gz RZMFHUJOSBOUMK-NWDGAFQWSA-N 1 0 310.394 3.458 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@@H]1C ZINC000903395594 619767085 /nfs/dbraw/zinc/76/70/85/619767085.db2.gz MOHTXXGIEWFROP-YNEHKIRRSA-N 1 0 310.419 3.090 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1Cc3ccccc3[C@@H]1O)CCC2 ZINC000903439678 619775550 /nfs/dbraw/zinc/77/55/50/619775550.db2.gz HSQKMYODWBHBTC-FHWLQOOXSA-N 1 0 324.380 3.220 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000903448417 619778598 /nfs/dbraw/zinc/77/85/98/619778598.db2.gz OYAIVYPKYBHOIG-NFAWXSAZSA-N 1 0 320.389 3.286 20 5 DGBDRO CSC1CCC(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000905510710 620003189 /nfs/dbraw/zinc/00/31/89/620003189.db2.gz YWAJLRNWTKXMLI-MOQPWLNLSA-N 1 0 324.446 3.140 20 5 DGBDRO O=C(CC[NH2+]C1CCC=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000905492840 620003846 /nfs/dbraw/zinc/00/38/46/620003846.db2.gz QTVOFAMHKIEJJN-UHFFFAOYSA-N 1 0 303.362 3.012 20 5 DGBDRO C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000906316013 620084737 /nfs/dbraw/zinc/08/47/37/620084737.db2.gz JWALURSEKUQQIA-ZDUSSCGKSA-N 1 0 319.405 3.037 20 5 DGBDRO [NH3+]C1CC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000906510538 620101906 /nfs/dbraw/zinc/10/19/06/620101906.db2.gz LHXWJSGLOXQKFR-UHFFFAOYSA-N 1 0 321.764 3.088 20 5 DGBDRO C[NH+](C)CCSc1cccc(Br)c1[N+](=O)[O-] ZINC000856737224 621014516 /nfs/dbraw/zinc/01/45/16/621014516.db2.gz VOCIVOKMTGWLCN-UHFFFAOYSA-N 1 0 305.197 3.011 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2cnn(C3CCC3)c2)cc1[N+](=O)[O-] ZINC000922316028 621022629 /nfs/dbraw/zinc/02/26/29/621022629.db2.gz HAOWPMJXTJJJMF-UHFFFAOYSA-N 1 0 300.362 3.115 20 5 DGBDRO Cc1c(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000922562782 621056646 /nfs/dbraw/zinc/05/66/46/621056646.db2.gz SCOXNXGALJHUPU-QGZVFWFLSA-N 1 0 318.348 3.040 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)cs1 ZINC000922676511 621079370 /nfs/dbraw/zinc/07/93/70/621079370.db2.gz AMJHFJUREKDBTJ-UWVGGRQHSA-N 1 0 324.324 3.246 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000922677174 621079814 /nfs/dbraw/zinc/07/98/14/621079814.db2.gz FHLUTFZZFKEMNH-QWHCGFSZSA-N 1 0 318.295 3.184 20 5 DGBDRO Cc1nc2c(cccc2CC[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC000922770197 621097430 /nfs/dbraw/zinc/09/74/30/621097430.db2.gz GXKJPGYDVGZMTN-UHFFFAOYSA-N 1 0 317.370 3.438 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c(F)c1 ZINC000922898348 621128657 /nfs/dbraw/zinc/12/86/57/621128657.db2.gz UYDKILHMEARSEF-CJNGLKHVSA-N 1 0 308.353 3.029 20 5 DGBDRO Cn1nc(CNC/C=C/c2ccccc2[N+](=O)[O-])cc1C1CC1 ZINC000922954607 621136806 /nfs/dbraw/zinc/13/68/06/621136806.db2.gz KYZARNGVAWCJKG-GQCTYLIASA-N 1 0 312.373 3.009 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1(CO)CCCC1 ZINC000839073520 621322437 /nfs/dbraw/zinc/32/24/37/621322437.db2.gz MVWUFBXOEJIMJY-MRXNPFEDSA-N 1 0 324.396 3.401 20 5 DGBDRO OC[C@@]1(O)CCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000839151825 621334002 /nfs/dbraw/zinc/33/40/02/621334002.db2.gz CUWOCKMSRJCXNJ-OAQYLSRUSA-N 1 0 321.420 3.312 20 5 DGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000839181406 621343956 /nfs/dbraw/zinc/34/39/56/621343956.db2.gz IARFYJBECXEWQD-KGLIPLIRSA-N 1 0 310.781 3.295 20 5 DGBDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000859970899 621350908 /nfs/dbraw/zinc/35/09/08/621350908.db2.gz MPZWCMJOGBIGEF-DKTWLAJQSA-N 1 0 319.188 3.104 20 5 DGBDRO CC(C)[C@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839461075 621372139 /nfs/dbraw/zinc/37/21/39/621372139.db2.gz ZHHXLHWBMSMAIN-JTQLQIEISA-N 1 0 313.785 3.163 20 5 DGBDRO C[C@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103457464 621377666 /nfs/dbraw/zinc/37/76/66/621377666.db2.gz JAJNUHHOFMAOCA-ZDUSSCGKSA-N 1 0 300.362 3.148 20 5 DGBDRO C/C=C/C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860183107 621378442 /nfs/dbraw/zinc/37/84/42/621378442.db2.gz GHIRGEAQJGUFEA-DTPTURRISA-N 1 0 304.390 3.306 20 5 DGBDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754171936 621493694 /nfs/dbraw/zinc/49/36/94/621493694.db2.gz XJBVFDUSTSGXGX-UWVGGRQHSA-N 1 0 313.785 3.211 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000754324575 621503022 /nfs/dbraw/zinc/50/30/22/621503022.db2.gz LGSHWBQFOVBUHW-KGLIPLIRSA-N 1 0 321.402 3.134 20 5 DGBDRO CC(C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCC1 ZINC000129092204 625494936 /nfs/dbraw/zinc/49/49/36/625494936.db2.gz BDZDNPLTKXBVMA-UHFFFAOYSA-N 1 0 323.368 3.325 20 5 DGBDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000754842305 621536491 /nfs/dbraw/zinc/53/64/91/621536491.db2.gz LULPHJVTEMSDLM-UHFFFAOYSA-N 1 0 316.405 3.051 20 5 DGBDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863583652 621685392 /nfs/dbraw/zinc/68/53/92/621685392.db2.gz CJYVRSHPIFOOTL-RCCFBDPRSA-N 1 0 312.369 3.082 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000864359351 621760266 /nfs/dbraw/zinc/76/02/66/621760266.db2.gz OXCKJGLPFRSSGK-NEPJUHHUSA-N 1 0 311.332 3.111 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnc3ccccc3c2)c1 ZINC000758611904 621791836 /nfs/dbraw/zinc/79/18/36/621791836.db2.gz PUGWEWKKTKXNTO-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO CC(C)CN(CC[NH+](C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000809730008 621847846 /nfs/dbraw/zinc/84/78/46/621847846.db2.gz WNVFORSVNYTAHS-UHFFFAOYSA-N 1 0 313.829 3.268 20 5 DGBDRO C[NH+](C)CCN(Cc1ccco1)c1ccc([N+](=O)[O-])cc1Cl ZINC000759697791 621883965 /nfs/dbraw/zinc/88/39/65/621883965.db2.gz DDHHCXXGWIZUHF-UHFFFAOYSA-N 1 0 323.780 3.409 20 5 DGBDRO CC[N@H+](CCC1CC1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000760537228 621949215 /nfs/dbraw/zinc/94/92/15/621949215.db2.gz DOJLQCCOMQRHPF-UHFFFAOYSA-N 1 0 302.378 3.332 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761049319 621981852 /nfs/dbraw/zinc/98/18/52/621981852.db2.gz HAWYNIWRBVVNGK-LLVKDONJSA-N 1 0 318.295 3.248 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC2(CCOC2)CC1 ZINC000761057113 621983311 /nfs/dbraw/zinc/98/33/11/621983311.db2.gz CDNSJONHOCBYRK-UHFFFAOYSA-N 1 0 310.781 3.251 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865778397 621993638 /nfs/dbraw/zinc/99/36/38/621993638.db2.gz JFZJZKWCIYFLGU-IMMZDGJCSA-N 1 0 316.401 3.404 20 5 DGBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000761217567 621995155 /nfs/dbraw/zinc/99/51/55/621995155.db2.gz WGBHVPHXCIWQST-OAHLLOKOSA-N 1 0 311.813 3.020 20 5 DGBDRO Cc1nn(C[N@H+]2CCCCC[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761289819 621999604 /nfs/dbraw/zinc/99/96/04/621999604.db2.gz BUFSSBDFIUVRBS-GFCCVEGCSA-N 1 0 302.378 3.475 20 5 DGBDRO CC(C)[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761511251 622013714 /nfs/dbraw/zinc/01/37/14/622013714.db2.gz OGPZQKPEKPAXDF-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO CO[C@@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000761512371 622013887 /nfs/dbraw/zinc/01/38/87/622013887.db2.gz RNOMZLQIGAKVQT-NSHDSACASA-N 1 0 300.786 3.494 20 5 DGBDRO CC(C)[NH+]1CCC(CCNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000866085829 622043476 /nfs/dbraw/zinc/04/34/76/622043476.db2.gz GPDSNMPNBUBPQI-UHFFFAOYSA-N 1 0 306.410 3.099 20 5 DGBDRO C[N@@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CCC1(C)C ZINC000866112426 622047591 /nfs/dbraw/zinc/04/75/91/622047591.db2.gz AAUWOXAWWLMWRH-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000762139446 622056428 /nfs/dbraw/zinc/05/64/28/622056428.db2.gz ADNAZDZVCDNCRZ-LBPRGKRZSA-N 1 0 300.362 3.167 20 5 DGBDRO CCc1cc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])on1 ZINC000866272397 622081984 /nfs/dbraw/zinc/08/19/84/622081984.db2.gz WFUKWJBLUTZVEJ-JTQLQIEISA-N 1 0 307.325 3.005 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CCO)CCCC1 ZINC000866276141 622082876 /nfs/dbraw/zinc/08/28/76/622082876.db2.gz MAAWBNFKLBMMTF-CYBMUJFWSA-N 1 0 324.396 3.197 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1ccncc1 ZINC000866283006 622084797 /nfs/dbraw/zinc/08/47/97/622084797.db2.gz UEGXGYCHWQBMEU-CHWSQXEVSA-N 1 0 317.364 3.453 20 5 DGBDRO COCCC1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866285931 622085255 /nfs/dbraw/zinc/08/52/55/622085255.db2.gz RUGIWSBYHAQCJZ-CYBMUJFWSA-N 1 0 324.396 3.461 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000866304506 622089192 /nfs/dbraw/zinc/08/91/92/622089192.db2.gz DNUAOEWSWTVPEW-QEJZJMRPSA-N 1 0 322.792 3.295 20 5 DGBDRO CCOCCC1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866308533 622090265 /nfs/dbraw/zinc/09/02/65/622090265.db2.gz DDCBRTKXHARKES-CYBMUJFWSA-N 1 0 324.396 3.461 20 5 DGBDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866313686 622091633 /nfs/dbraw/zinc/09/16/33/622091633.db2.gz GHAZFOUKLRKPFR-MLGOLLRUSA-N 1 0 324.396 3.052 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC(F)(F)C1 ZINC000866323481 622093454 /nfs/dbraw/zinc/09/34/54/622093454.db2.gz IXKAVYFAPQJWKK-BXKDBHETSA-N 1 0 302.296 3.442 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCCO1 ZINC000866338078 622096948 /nfs/dbraw/zinc/09/69/48/622096948.db2.gz WVXXTKXUVFBAEG-WFASDCNBSA-N 1 0 310.369 3.214 20 5 DGBDRO CCOCC(C)(C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866358218 622101922 /nfs/dbraw/zinc/10/19/22/622101922.db2.gz IQIYKVRVHDSFRA-LBPRGKRZSA-N 1 0 312.385 3.317 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC1CCOCC1 ZINC000866364963 622103727 /nfs/dbraw/zinc/10/37/27/622103727.db2.gz UBQZSJDFBITDNR-ZDUSSCGKSA-N 1 0 324.396 3.461 20 5 DGBDRO Cc1cc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])ccn1 ZINC000866365443 622103751 /nfs/dbraw/zinc/10/37/51/622103751.db2.gz GYPHJJIHCBBCCE-GFCCVEGCSA-N 1 0 303.337 3.158 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)C(C)(C)O ZINC000866370426 622105022 /nfs/dbraw/zinc/10/50/22/622105022.db2.gz WGRDAPNSBDYUTI-NSHDSACASA-N 1 0 312.385 3.052 20 5 DGBDRO CCc1ncc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000866371943 622105816 /nfs/dbraw/zinc/10/58/16/622105816.db2.gz OVEFIDTYWCJTHZ-JTQLQIEISA-N 1 0 307.325 3.005 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CC1(F)F ZINC000866393668 622109698 /nfs/dbraw/zinc/10/96/98/622109698.db2.gz QVTYBZBAMFDREJ-GXSJLCMTSA-N 1 0 302.296 3.300 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCSC1 ZINC000866401470 622111476 /nfs/dbraw/zinc/11/14/76/622111476.db2.gz AMOZPGHAOISFTI-VXGBXAGGSA-N 1 0 312.410 3.398 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000866612122 622146558 /nfs/dbraw/zinc/14/65/58/622146558.db2.gz CLJHCFVIJSPBNP-QWHCGFSZSA-N 1 0 302.378 3.000 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705555 622158814 /nfs/dbraw/zinc/15/88/14/622158814.db2.gz CMBGDASQZFUYAM-DYVFJYSZSA-N 1 0 305.422 3.353 20 5 DGBDRO C[C@H]1C[C@@H](N(C)c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000764157283 622182350 /nfs/dbraw/zinc/18/23/50/622182350.db2.gz LZXANJUBMLWYKH-STQMWFEESA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@@H](CCC(C)(C)C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945301 622196097 /nfs/dbraw/zinc/19/60/97/622196097.db2.gz TUGNGNWORUVCBU-SJCJKPOMSA-N 1 0 321.421 3.100 20 5 DGBDRO CCC1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000764899315 622231453 /nfs/dbraw/zinc/23/14/53/622231453.db2.gz GSEFSSIWQGWLTK-UHFFFAOYSA-N 1 0 302.378 3.332 20 5 DGBDRO Cc1nn(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000765062044 622242963 /nfs/dbraw/zinc/24/29/63/622242963.db2.gz ZGZXOWIHGZRKCK-OKILXGFUSA-N 1 0 314.389 3.332 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000765257475 622254562 /nfs/dbraw/zinc/25/45/62/622254562.db2.gz YKDKLRAQQKSICG-HUUCEWRRSA-N 1 0 305.422 3.428 20 5 DGBDRO C[C@H]([NH2+]CCN1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000765414911 622263877 /nfs/dbraw/zinc/26/38/77/622263877.db2.gz BPVOSPMOLZOGFH-AWEZNQCLSA-N 1 0 311.385 3.308 20 5 DGBDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765846220 622290922 /nfs/dbraw/zinc/29/09/22/622290922.db2.gz VXROWHMRNARNJZ-ZWKOTPCHSA-N 1 0 312.369 3.214 20 5 DGBDRO Cc1cc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000765844373 622290943 /nfs/dbraw/zinc/29/09/43/622290943.db2.gz FVORNRHLPKMACT-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765850285 622291369 /nfs/dbraw/zinc/29/13/69/622291369.db2.gz WTAXPVYBMRTUEG-ROUUACIJSA-N 1 0 312.369 3.214 20 5 DGBDRO CC(C)[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766109117 622306775 /nfs/dbraw/zinc/30/67/75/622306775.db2.gz NCYHNRXWMJGHFY-CQSZACIVSA-N 1 0 305.422 3.445 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000766223915 622313196 /nfs/dbraw/zinc/31/31/96/622313196.db2.gz JXALIGYBQRPHKM-HNNXBMFYSA-N 1 0 323.824 3.355 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)C)cc1[N+](=O)[O-] ZINC000768097943 622438384 /nfs/dbraw/zinc/43/83/84/622438384.db2.gz HRBRLEHBNHEFFP-OCCSQVGLSA-N 1 0 310.394 3.051 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)ccc1Cl ZINC000768548394 622464282 /nfs/dbraw/zinc/46/42/82/622464282.db2.gz BFYAFQCMDGJSBI-TZMCWYRMSA-N 1 0 310.781 3.249 20 5 DGBDRO CC(=O)c1c(NC2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000881829810 625570816 /nfs/dbraw/zinc/57/08/16/625570816.db2.gz VMMBYMDQXCVWJT-UHFFFAOYSA-N 1 0 319.405 3.472 20 5 DGBDRO C[C@@H]1C[NH+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C ZINC000769448436 622528809 /nfs/dbraw/zinc/52/88/09/622528809.db2.gz QJULEDNGKDOBHJ-NXEZZACHSA-N 1 0 313.195 3.445 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCCC4(CC4)C3)c2)c1 ZINC000769799457 622561883 /nfs/dbraw/zinc/56/18/83/622561883.db2.gz XAYFMEIWUIIRBC-UHFFFAOYSA-N 1 0 312.373 3.292 20 5 DGBDRO CCc1noc(C)c1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000769874720 622570920 /nfs/dbraw/zinc/57/09/20/622570920.db2.gz LLLPMHVPIGKZAI-NSHDSACASA-N 1 0 303.362 3.347 20 5 DGBDRO Cc1ccc(F)c(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000769911163 622575184 /nfs/dbraw/zinc/57/51/84/622575184.db2.gz XCQWHISCYAXWCW-KRWDZBQOSA-N 1 0 318.348 3.208 20 5 DGBDRO Cc1ccc(F)c(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000769911060 622575275 /nfs/dbraw/zinc/57/52/75/622575275.db2.gz WEKFLARZAGCGGW-KRWDZBQOSA-N 1 0 318.348 3.208 20 5 DGBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769914078 622576326 /nfs/dbraw/zinc/57/63/26/622576326.db2.gz UVYWAOJYULWAQU-OAHLLOKOSA-N 1 0 312.797 3.375 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000770145582 622606723 /nfs/dbraw/zinc/60/67/23/622606723.db2.gz LLQSRHXXVJTMPC-LBPRGKRZSA-N 1 0 311.813 3.477 20 5 DGBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000771227443 622729305 /nfs/dbraw/zinc/72/93/05/622729305.db2.gz AAAAIWVJASCCQH-SNVBAGLBSA-N 1 0 315.320 3.092 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)Cn1ccnc1 ZINC000872021161 622755871 /nfs/dbraw/zinc/75/58/71/622755871.db2.gz NQOUHHSPEGVRIR-VXGBXAGGSA-N 1 0 320.418 3.253 20 5 DGBDRO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872022137 622756325 /nfs/dbraw/zinc/75/63/25/622756325.db2.gz UMRNYYBAUFVQBI-SECBINFHSA-N 1 0 324.274 3.354 20 5 DGBDRO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028912 622761820 /nfs/dbraw/zinc/76/18/20/622761820.db2.gz NGFYVDMKQLIOLW-LBPRGKRZSA-N 1 0 321.396 3.401 20 5 DGBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872033640 622765087 /nfs/dbraw/zinc/76/50/87/622765087.db2.gz CWBHKEOCZUITIP-MISXGVKJSA-N 1 0 312.435 3.374 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@](C)(O)C(C)C ZINC000872033306 622765215 /nfs/dbraw/zinc/76/52/15/622765215.db2.gz BLHXQNHFNWPVTP-IAQYHMDHSA-N 1 0 312.435 3.374 20 5 DGBDRO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037443 622766511 /nfs/dbraw/zinc/76/65/11/622766511.db2.gz FTRNTIGRKINRGG-BONVTDFDSA-N 1 0 324.377 3.354 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(O)c1F ZINC000872038320 622767342 /nfs/dbraw/zinc/76/73/42/622767342.db2.gz KDHHOLUHVGVDCL-LLVKDONJSA-N 1 0 304.321 3.333 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038700 622767640 /nfs/dbraw/zinc/76/76/40/622767640.db2.gz OZTSOXIEORMBDX-UNNXFLIFSA-N 1 0 308.353 3.198 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000872048746 622774915 /nfs/dbraw/zinc/77/49/15/622774915.db2.gz LGPLXZGSWCHWJW-QMTHXVAHSA-N 1 0 310.419 3.128 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1=CCCOC1 ZINC000872071592 622789622 /nfs/dbraw/zinc/78/96/22/622789622.db2.gz RUXPXUDIUCEMPW-NSHDSACASA-N 1 0 308.403 3.314 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000872083028 622795357 /nfs/dbraw/zinc/79/53/57/622795357.db2.gz GDIQFXAWIIMCCS-FRJFDASCSA-N 1 0 308.403 3.287 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084080 622796122 /nfs/dbraw/zinc/79/61/22/622796122.db2.gz PAPAYHOVVOIMRZ-NWDGAFQWSA-N 1 0 303.337 3.411 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)CC1CC1 ZINC000872085840 622797507 /nfs/dbraw/zinc/79/75/07/622797507.db2.gz QARNULVECGJGHD-AAEUAGOBSA-N 1 0 324.446 3.376 20 5 DGBDRO CCC1(O)CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000771875300 622808027 /nfs/dbraw/zinc/80/80/27/622808027.db2.gz QMFIBPBZSRAEHA-UHFFFAOYSA-N 1 0 312.797 3.422 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872107349 622809525 /nfs/dbraw/zinc/80/95/25/622809525.db2.gz LPSKDZWEDVOFBP-OZTPJHRESA-N 1 0 308.353 3.342 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872108869 622811049 /nfs/dbraw/zinc/81/10/49/622811049.db2.gz YQJRPTUKJJJHMO-ZAUVIXRXSA-N 1 0 322.380 3.212 20 5 DGBDRO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000872132034 622825515 /nfs/dbraw/zinc/82/55/15/622825515.db2.gz BJEONKIGUIAISY-GXTWGEPZSA-N 1 0 314.389 3.365 20 5 DGBDRO O=C(CC[NH2+]CCCCC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000872231735 622863216 /nfs/dbraw/zinc/86/32/16/622863216.db2.gz QKAKFSGBPDAWAA-UHFFFAOYSA-N 1 0 305.378 3.093 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000873024386 623020647 /nfs/dbraw/zinc/02/06/47/623020647.db2.gz PZMYMVNSNVHRPY-KRWDZBQOSA-N 1 0 318.348 3.174 20 5 DGBDRO Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873057349 623026701 /nfs/dbraw/zinc/02/67/01/623026701.db2.gz QJVHIMMPGUCRDV-SNVBAGLBSA-N 1 0 303.362 3.229 20 5 DGBDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873071386 623030545 /nfs/dbraw/zinc/03/05/45/623030545.db2.gz ICCAXWCODUSWTK-GTQRCTGISA-N 1 0 324.446 3.073 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000873080318 623032898 /nfs/dbraw/zinc/03/28/98/623032898.db2.gz OESMZNARKAHBQK-CQSZACIVSA-N 1 0 304.390 3.403 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](c2ccnn2C)C(C)C)cccc1[N+](=O)[O-] ZINC000873112966 623037562 /nfs/dbraw/zinc/03/75/62/623037562.db2.gz LQQJJUILLGIVRI-HNNXBMFYSA-N 1 0 316.405 3.166 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000873133709 623044642 /nfs/dbraw/zinc/04/46/42/623044642.db2.gz UHOOPAKRUHEVQH-WBVHZDCISA-N 1 0 303.406 3.010 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873155607 623053292 /nfs/dbraw/zinc/05/32/92/623053292.db2.gz GVQLPQPJZRFYPI-PVUWLOKVSA-N 1 0 320.389 3.041 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c(Cl)c1 ZINC000873155352 623053950 /nfs/dbraw/zinc/05/39/50/623053950.db2.gz DOVRYJIDAAFNHS-DGFSRKRXSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOc1cccnc1)CCC2 ZINC000774194334 623118664 /nfs/dbraw/zinc/11/86/64/623118664.db2.gz XEVTVCHSDGOXKW-KRWDZBQOSA-N 1 0 313.357 3.036 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000774412775 623141238 /nfs/dbraw/zinc/14/12/38/623141238.db2.gz SYNNDVLNVAPAJL-HOCLYGCPSA-N 1 0 318.398 3.431 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774626914 623167056 /nfs/dbraw/zinc/16/70/56/623167056.db2.gz NPEJFJZKHSPRHM-LLVKDONJSA-N 1 0 308.769 3.430 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000873843403 623215520 /nfs/dbraw/zinc/21/55/20/623215520.db2.gz LSLLABODZDMJOT-UHFFFAOYSA-N 1 0 321.421 3.060 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3ccccc3F)CC2)c1 ZINC000775448272 623275798 /nfs/dbraw/zinc/27/57/98/623275798.db2.gz ISTFOZJUSCVQBQ-UHFFFAOYSA-N 1 0 316.332 3.392 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000776174341 623390099 /nfs/dbraw/zinc/39/00/99/623390099.db2.gz JLRSSXZTFPUOMS-CYBMUJFWSA-N 1 0 316.357 3.161 20 5 DGBDRO C[C@H](c1ccccc1F)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273774 623405343 /nfs/dbraw/zinc/40/53/43/623405343.db2.gz AJIJSNIZSJVZFQ-PXAZEXFGSA-N 1 0 318.348 3.460 20 5 DGBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588097 623444427 /nfs/dbraw/zinc/44/44/27/623444427.db2.gz KQMDSLLSTAVINM-BZUAXINKSA-N 1 0 324.446 3.234 20 5 DGBDRO C[C@H](c1cccc(O)c1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593119 623445398 /nfs/dbraw/zinc/44/53/98/623445398.db2.gz PDAZGSYXSDQFSZ-SJKOYZFVSA-N 1 0 316.357 3.027 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCOC1CCC1 ZINC000777119629 623497622 /nfs/dbraw/zinc/49/76/22/623497622.db2.gz BUCNXIZXRVHAJR-WMLDXEAASA-N 1 0 318.417 3.465 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000876619007 623661002 /nfs/dbraw/zinc/66/10/02/623661002.db2.gz LVXMCPMLVILDFR-CQSZACIVSA-N 1 0 314.389 3.314 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000876620373 623662307 /nfs/dbraw/zinc/66/23/07/623662307.db2.gz MWKNGTZSMYBMQU-AWEZNQCLSA-N 1 0 314.389 3.314 20 5 DGBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000126109747 623682863 /nfs/dbraw/zinc/68/28/63/623682863.db2.gz QQBIDJAPXBBRFW-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO CCC1(CO)CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876758167 623698959 /nfs/dbraw/zinc/69/89/59/623698959.db2.gz DTTDWYPAWQAXRQ-UHFFFAOYSA-N 1 0 306.406 3.196 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCc1nccs1 ZINC000876790511 623707183 /nfs/dbraw/zinc/70/71/83/623707183.db2.gz LFBHADMMUXGBJP-UHFFFAOYSA-N 1 0 305.403 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCSC(F)(F)F)nc2c1 ZINC000876939025 623749834 /nfs/dbraw/zinc/74/98/34/623749834.db2.gz STSZOXXPJVMWEI-UHFFFAOYSA-N 1 0 321.280 3.079 20 5 DGBDRO Cc1cc(C)c(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000876986302 623759693 /nfs/dbraw/zinc/75/96/93/623759693.db2.gz APBUCALCCAHTEX-UHFFFAOYSA-N 1 0 314.389 3.210 20 5 DGBDRO C[C@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876999124 623763569 /nfs/dbraw/zinc/76/35/69/623763569.db2.gz WELXNHSRJZVNPD-IUDNXUCKSA-N 1 0 314.389 3.278 20 5 DGBDRO CC(C)CC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000877086819 623788228 /nfs/dbraw/zinc/78/82/28/623788228.db2.gz BJFZPRQPTUJURU-UHFFFAOYSA-N 1 0 306.410 3.301 20 5 DGBDRO CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000877119240 623795199 /nfs/dbraw/zinc/79/51/99/623795199.db2.gz VWMUTTWIVVCHGH-UHFFFAOYSA-N 1 0 306.410 3.301 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)cc1[N+](=O)[O-] ZINC000779860421 623823238 /nfs/dbraw/zinc/82/32/38/623823238.db2.gz YURCPEJDDDAGEZ-OAHLLOKOSA-N 1 0 306.410 3.492 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000779864387 623824736 /nfs/dbraw/zinc/82/47/36/623824736.db2.gz AXNPETFBMGGDMT-GDBMZVCRSA-N 1 0 314.389 3.010 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000877507550 623916266 /nfs/dbraw/zinc/91/62/66/623916266.db2.gz PECBBRQJXSCPKQ-IRXDYDNUSA-N 1 0 304.390 3.355 20 5 DGBDRO COCC1(C2CCC2)C[NH+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877625851 623968556 /nfs/dbraw/zinc/96/85/56/623968556.db2.gz OFJMXPNHQUFLOO-UHFFFAOYSA-N 1 0 304.390 3.152 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000877641858 623974665 /nfs/dbraw/zinc/97/46/65/623974665.db2.gz CJSXDSFKGIXSQV-KBXCAEBGSA-N 1 0 314.385 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)ccc1Cl ZINC000877737351 624010885 /nfs/dbraw/zinc/01/08/85/624010885.db2.gz FWDCFZSBLWSFMO-NWDGAFQWSA-N 1 0 312.822 3.433 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877741346 624013427 /nfs/dbraw/zinc/01/34/27/624013427.db2.gz VJDNVYISEDWYPF-GXTWGEPZSA-N 1 0 322.430 3.178 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877741473 624014098 /nfs/dbraw/zinc/01/40/98/624014098.db2.gz VWSKWCAIFAWCQF-SUXDSQMHSA-N 1 0 304.415 3.293 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877742197 624015638 /nfs/dbraw/zinc/01/56/38/624015638.db2.gz XXOBXNYGFLZFED-CMPLNLGQSA-N 1 0 312.822 3.433 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000126712878 624029921 /nfs/dbraw/zinc/02/99/21/624029921.db2.gz LVGHETQNNXOWRR-FZMZJTMJSA-N 1 0 306.387 3.349 20 5 DGBDRO CC(C)[C@H](C)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877927600 624096453 /nfs/dbraw/zinc/09/64/53/624096453.db2.gz CHMYVDCLGCJUCL-NSHDSACASA-N 1 0 304.350 3.121 20 5 DGBDRO CCC[C@H](C)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877953953 624108126 /nfs/dbraw/zinc/10/81/26/624108126.db2.gz TYIXFGLHAUSVSM-NSHDSACASA-N 1 0 304.350 3.265 20 5 DGBDRO CC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878045985 624148558 /nfs/dbraw/zinc/14/85/58/624148558.db2.gz OVYXYAJMQYPJHM-NSHDSACASA-N 1 0 302.334 3.019 20 5 DGBDRO C[C@@H]([N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1(C)CC1 ZINC000878179781 624204539 /nfs/dbraw/zinc/20/45/39/624204539.db2.gz QNOQFZBAQOFUMI-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO CC(C)[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1CC1 ZINC000878210399 624217126 /nfs/dbraw/zinc/21/71/26/624217126.db2.gz QFAPFYYKHAUANA-UHFFFAOYSA-N 1 0 316.361 3.265 20 5 DGBDRO CC(C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CC1 ZINC000782512270 624258067 /nfs/dbraw/zinc/25/80/67/624258067.db2.gz GPGNCHHLZLPKRY-UHFFFAOYSA-N 1 0 323.368 3.183 20 5 DGBDRO CC(C)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782510356 624258148 /nfs/dbraw/zinc/25/81/48/624258148.db2.gz GORWRYMESUADMI-LBPRGKRZSA-N 1 0 323.368 3.040 20 5 DGBDRO C[C@@H](OC(=O)C1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000782533628 624261197 /nfs/dbraw/zinc/26/11/97/624261197.db2.gz NKKKDLWKLDTNCS-GFCCVEGCSA-N 1 0 318.373 3.073 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000878433883 624277470 /nfs/dbraw/zinc/27/74/70/624277470.db2.gz NHOZUNCFCWLEKB-MRXNPFEDSA-N 1 0 314.389 3.327 20 5 DGBDRO Cc1nn(C[N@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000782957634 624294733 /nfs/dbraw/zinc/29/47/33/624294733.db2.gz XTXCBCUAXWLJEN-CZUORRHYSA-N 1 0 314.389 3.244 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878598315 624318110 /nfs/dbraw/zinc/31/81/10/624318110.db2.gz CHMKOSDZACUXSU-VYDXJSESSA-N 1 0 304.390 3.027 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(CCC2)CO1 ZINC000878598369 624318459 /nfs/dbraw/zinc/31/84/59/624318459.db2.gz FOTCVXMLPGZISP-HNNXBMFYSA-N 1 0 304.390 3.028 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl ZINC000783535170 624363429 /nfs/dbraw/zinc/36/34/29/624363429.db2.gz NLBIXVIRPOXLJA-GFCCVEGCSA-N 1 0 320.780 3.351 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+]C2(C3CCC3)CC2)o1 ZINC000878807395 624364125 /nfs/dbraw/zinc/36/41/25/624364125.db2.gz OFCYETSHDFCNSZ-UHFFFAOYSA-N 1 0 314.345 3.067 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000783569438 624367396 /nfs/dbraw/zinc/36/73/96/624367396.db2.gz GTLVXHHFLPQLBH-VXGBXAGGSA-N 1 0 311.813 3.163 20 5 DGBDRO CCC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000878844154 624370749 /nfs/dbraw/zinc/37/07/49/624370749.db2.gz RTKDUPIOKQIAAL-UHFFFAOYSA-N 1 0 304.350 3.265 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783663646 624381178 /nfs/dbraw/zinc/38/11/78/624381178.db2.gz BZDLPCVPDIGJOU-HNNXBMFYSA-N 1 0 311.813 3.020 20 5 DGBDRO C[N@H+](C[C@H]1CC=CCC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000784013715 624421337 /nfs/dbraw/zinc/42/13/37/624421337.db2.gz JEJMQTFRCWHCLY-ZDUSSCGKSA-N 1 0 300.362 3.190 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879239428 624457653 /nfs/dbraw/zinc/45/76/53/624457653.db2.gz APFUKCYAHWKOLK-ROUUACIJSA-N 1 0 312.369 3.293 20 5 DGBDRO CC(C)c1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000784410132 624521921 /nfs/dbraw/zinc/52/19/21/624521921.db2.gz CLDQFQDXPYOKDE-HNNXBMFYSA-N 1 0 321.421 3.034 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879963476 624738888 /nfs/dbraw/zinc/73/88/88/624738888.db2.gz KGQDPCJMVQRXEC-KBPBESRZSA-N 1 0 306.406 3.447 20 5 DGBDRO COC(=O)CC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880038849 624762708 /nfs/dbraw/zinc/76/27/08/624762708.db2.gz BALWUWGXQCTUBC-UONOGXRCSA-N 1 0 320.389 3.321 20 5 DGBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000785988351 624774894 /nfs/dbraw/zinc/77/48/94/624774894.db2.gz LTHJTNPCYTYNCI-UEKVPHQBSA-N 1 0 312.797 3.230 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000880316525 624912156 /nfs/dbraw/zinc/91/21/56/624912156.db2.gz HAVVYCDWINEXES-CYBMUJFWSA-N 1 0 303.387 3.083 20 5 DGBDRO C[C@@H]1c2sccc2CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880377119 624943192 /nfs/dbraw/zinc/94/31/92/624943192.db2.gz OQGAJLWRFIQVMF-ABAIWWIYSA-N 1 0 318.398 3.309 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000786803129 624954786 /nfs/dbraw/zinc/95/47/86/624954786.db2.gz DXXORZCOMXADIE-OLZOCXBDSA-N 1 0 305.378 3.082 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000880453987 624959211 /nfs/dbraw/zinc/95/92/11/624959211.db2.gz YCSLAMOOAULZJC-UHFFFAOYSA-N 1 0 320.389 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788587538 625221885 /nfs/dbraw/zinc/22/18/85/625221885.db2.gz JMFZEBKZHKHUGE-CQSZACIVSA-N 1 0 317.776 3.463 20 5 DGBDRO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788596669 625223756 /nfs/dbraw/zinc/22/37/56/625223756.db2.gz ZSAMHVVALKPASF-MJBXVCDLSA-N 1 0 320.437 3.091 20 5 DGBDRO Cc1cccc(OCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788651790 625235532 /nfs/dbraw/zinc/23/55/32/625235532.db2.gz MCNJTSXBGXTADX-ZDUSSCGKSA-N 1 0 315.373 3.215 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cc[nH]c(=O)c1 ZINC000788668049 625238785 /nfs/dbraw/zinc/23/87/85/625238785.db2.gz WQFZZRYDUXMGLO-ZDUSSCGKSA-N 1 0 315.373 3.369 20 5 DGBDRO CCc1ccc([C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000788821980 625275614 /nfs/dbraw/zinc/27/56/14/625275614.db2.gz ZKXKOMKKDYFKNN-GOSISDBHSA-N 1 0 314.385 3.023 20 5 DGBDRO CC(C)[NH+]1CCC(CCNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882686037 625784894 /nfs/dbraw/zinc/78/48/94/625784894.db2.gz MWHJHNNMRVIOFT-UHFFFAOYSA-N 1 0 310.373 3.051 20 5 DGBDRO Cc1cc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000882820498 625827398 /nfs/dbraw/zinc/82/73/98/625827398.db2.gz RENMEOPHZXJIES-LLVKDONJSA-N 1 0 318.402 3.075 20 5 DGBDRO C[NH+](C)CCCCCOC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000796936451 626097110 /nfs/dbraw/zinc/09/71/10/626097110.db2.gz XCCKDCSMRIMQKM-UHFFFAOYSA-N 1 0 322.405 3.148 20 5 DGBDRO CC1=C[C@H](C)C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000797419107 626141299 /nfs/dbraw/zinc/14/12/99/626141299.db2.gz BSYKIFPVCASMDM-ZDUSSCGKSA-N 1 0 312.373 3.314 20 5 DGBDRO Cc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000797603036 626158756 /nfs/dbraw/zinc/15/87/56/626158756.db2.gz ZMZRQXRSENUPKT-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H](OC(F)F)C2)c1 ZINC000801991188 626428782 /nfs/dbraw/zinc/42/87/82/626428782.db2.gz KPAWMDXYLAGQFE-JTQLQIEISA-N 1 0 306.696 3.062 20 5 DGBDRO C=C/C=C\CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000883267334 626630345 /nfs/dbraw/zinc/63/03/45/626630345.db2.gz ASMWTBGPPDUYEV-ARJAWSKDSA-N 1 0 301.390 3.286 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000883277623 626634292 /nfs/dbraw/zinc/63/42/92/626634292.db2.gz BYAFHLKKYLILHY-YOEHRIQHSA-N 1 0 318.373 3.080 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000883318739 626645120 /nfs/dbraw/zinc/64/51/20/626645120.db2.gz ACPFAQSPDXXUNU-UTUOFQBUSA-N 1 0 310.419 3.392 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000883319803 626646158 /nfs/dbraw/zinc/64/61/58/626646158.db2.gz PXAPYXOLLNSITN-OZVIIMIRSA-N 1 0 304.390 3.332 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](COC)C2)cc1[N+](=O)[O-] ZINC000883320781 626646800 /nfs/dbraw/zinc/64/68/00/626646800.db2.gz VSCOYASVPKDMTN-BZPMIXESSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883357840 626659868 /nfs/dbraw/zinc/65/98/68/626659868.db2.gz WDJHXIQAJPVEMI-OCCSQVGLSA-N 1 0 320.389 3.356 20 5 DGBDRO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000804349630 626672273 /nfs/dbraw/zinc/67/22/73/626672273.db2.gz PAEVRPLYROTXMD-NEPJUHHUSA-N 1 0 322.365 3.178 20 5 DGBDRO CC[NH+](CC)CCOCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804614645 626698173 /nfs/dbraw/zinc/69/81/73/626698173.db2.gz TWXUPMZHMNWYAO-UHFFFAOYSA-N 1 0 315.801 3.019 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+]1CCCCCC1 ZINC000807925331 626777995 /nfs/dbraw/zinc/77/79/95/626777995.db2.gz AHPNEGQESNNQLY-UHFFFAOYSA-N 1 0 305.378 3.085 20 5 DGBDRO Cn1nncc1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000808437084 626825015 /nfs/dbraw/zinc/82/50/15/626825015.db2.gz YYCIYPZAZXDEBU-UHFFFAOYSA-N 1 0 302.381 3.411 20 5 DGBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000809705213 626939466 /nfs/dbraw/zinc/93/94/66/626939466.db2.gz QQEVPWVMJSYSNP-PBWFPOADSA-N 1 0 323.824 3.305 20 5 DGBDRO [NH3+]CCN(Cc1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809734335 626942985 /nfs/dbraw/zinc/94/29/85/626942985.db2.gz AYRDJDLTRLURGM-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO [NH3+]CCN(Cc1cc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000809736241 626943541 /nfs/dbraw/zinc/94/35/41/626943541.db2.gz LDQLMURFXNBCMM-UHFFFAOYSA-N 1 0 310.357 3.041 20 5 DGBDRO CCCC[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809942074 626961064 /nfs/dbraw/zinc/96/10/64/626961064.db2.gz CWIMKFDIBPWGJZ-UHFFFAOYSA-N 1 0 321.204 3.496 20 5 DGBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)CO ZINC000809947307 626962068 /nfs/dbraw/zinc/96/20/68/626962068.db2.gz DFJOLCCJSAJXKQ-UHFFFAOYSA-N 1 0 307.177 3.104 20 5 DGBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886030271 627088551 /nfs/dbraw/zinc/08/85/51/627088551.db2.gz IEBKZXXLRFZYCJ-GDBMZVCRSA-N 1 0 311.385 3.443 20 5 DGBDRO CC[N@@H+](Cc1ccccc1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136924363 627104450 /nfs/dbraw/zinc/10/44/50/627104450.db2.gz IBYMNZNEEMWSIU-SFHVURJKSA-N 1 0 314.385 3.459 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000886314081 627135560 /nfs/dbraw/zinc/13/55/60/627135560.db2.gz LQQPHVRBQBNUNG-SFHVURJKSA-N 1 0 309.369 3.080 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886703176 627194805 /nfs/dbraw/zinc/19/48/05/627194805.db2.gz ODOAHLZVQBMGGO-DOMZBBRYSA-N 1 0 302.374 3.131 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886815378 627208179 /nfs/dbraw/zinc/20/81/79/627208179.db2.gz COZNHKRWASSQPF-SWLSCSKDSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000886830912 627209866 /nfs/dbraw/zinc/20/98/66/627209866.db2.gz ZRENTOBWTZRLPA-IAQYHMDHSA-N 1 0 310.781 3.249 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871980 627211625 /nfs/dbraw/zinc/21/16/25/627211625.db2.gz GPXDJMXZZZRNBW-PBHICJAKSA-N 1 0 303.406 3.121 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871982 627211840 /nfs/dbraw/zinc/21/18/40/627211840.db2.gz GPXDJMXZZZRNBW-WMLDXEAASA-N 1 0 303.406 3.121 20 5 DGBDRO CC(C)[C@H](CO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811506345 627283242 /nfs/dbraw/zinc/28/32/42/627283242.db2.gz RAALHCGBQVFZTI-JTQLQIEISA-N 1 0 321.204 3.256 20 5 DGBDRO Cc1cc(F)cc(C(=O)OCC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000840269766 627424564 /nfs/dbraw/zinc/42/45/64/627424564.db2.gz PBQLJIBYTRNUOL-ZDUSSCGKSA-N 1 0 324.352 3.074 20 5 DGBDRO CCc1noc(C)c1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000815146052 627636844 /nfs/dbraw/zinc/63/68/44/627636844.db2.gz MBSWIQZCUAONMB-UHFFFAOYSA-N 1 0 309.753 3.397 20 5 DGBDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000815147942 627637211 /nfs/dbraw/zinc/63/72/11/627637211.db2.gz YXKUVIAWRYAYJS-OAHLLOKOSA-N 1 0 312.797 3.279 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553537 627683940 /nfs/dbraw/zinc/68/39/40/627683940.db2.gz CLCFMSYFQRVYJH-LRDDRELGSA-N 1 0 311.385 3.385 20 5 DGBDRO C[C@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552567 627684425 /nfs/dbraw/zinc/68/44/25/627684425.db2.gz DZPBQAKHKIQETQ-ZDUSSCGKSA-N 1 0 320.437 3.092 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583977 627687643 /nfs/dbraw/zinc/68/76/43/627687643.db2.gz SBKPMUYHMKQMFD-GDJRKYJOSA-N 1 0 319.405 3.031 20 5 DGBDRO CCO[C@H](CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000815585206 627687647 /nfs/dbraw/zinc/68/76/47/627687647.db2.gz AWCNTQIJJJUMDK-MLGOLLRUSA-N 1 0 309.410 3.279 20 5 DGBDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000924954215 627697255 /nfs/dbraw/zinc/69/72/55/627697255.db2.gz HWMRSCYNEOZUFB-CJNGLKHVSA-N 1 0 310.394 3.023 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000924954223 627697505 /nfs/dbraw/zinc/69/75/05/627697505.db2.gz HYIZQCHSGASHRU-CZUORRHYSA-N 1 0 322.405 3.024 20 5 DGBDRO Cc1nc2c(o1)CCC[C@H]2[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925153429 627713687 /nfs/dbraw/zinc/71/36/87/627713687.db2.gz LJMGQHXNEBBNKD-CYBMUJFWSA-N 1 0 301.346 3.101 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1(Br)CC1 ZINC000925153629 627714021 /nfs/dbraw/zinc/71/40/21/627714021.db2.gz MMOWZPNAXJKVMV-SNVBAGLBSA-N 1 0 313.195 3.043 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccnnc1 ZINC000925464504 627739409 /nfs/dbraw/zinc/73/94/09/627739409.db2.gz DIROMWJRANOMTF-CYBMUJFWSA-N 1 0 300.362 3.058 20 5 DGBDRO CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000925514534 627745485 /nfs/dbraw/zinc/74/54/85/627745485.db2.gz QOEPMOUSXYJBFZ-UKRRQHHQSA-N 1 0 312.797 3.399 20 5 DGBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000816642206 627818444 /nfs/dbraw/zinc/81/84/44/627818444.db2.gz RVYVZPWLKUKROR-MRXNPFEDSA-N 1 0 323.824 3.166 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cc[nH]c(=O)c1 ZINC000816639144 627818537 /nfs/dbraw/zinc/81/85/37/627818537.db2.gz JLXBXVKJOCQMGC-SECBINFHSA-N 1 0 307.737 3.200 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000926492550 627903834 /nfs/dbraw/zinc/90/38/34/627903834.db2.gz FQBFXVBTSWWDJS-QCEMKRCNSA-N 1 0 304.390 3.451 20 5 DGBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc(C)n1 ZINC000817590181 627927283 /nfs/dbraw/zinc/92/72/83/627927283.db2.gz VSWKYSPKTYTUTH-LBPRGKRZSA-N 1 0 300.362 3.040 20 5 DGBDRO C[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000926939617 627985550 /nfs/dbraw/zinc/98/55/50/627985550.db2.gz WSXLJPJCXQWWQS-NSHDSACASA-N 1 0 317.414 3.433 20 5 DGBDRO Cc1cc(F)c(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000818187409 628001964 /nfs/dbraw/zinc/00/19/64/628001964.db2.gz XSMKCUDMIIXLSN-MRXNPFEDSA-N 1 0 322.311 3.005 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000927053039 628003048 /nfs/dbraw/zinc/00/30/48/628003048.db2.gz WFODEVHYCNFMCU-MHWZDGSBSA-N 1 0 324.352 3.067 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cccc1[N+](=O)[O-] ZINC000927056317 628004336 /nfs/dbraw/zinc/00/43/36/628004336.db2.gz CIDPWUXNANHSFU-BHTHQVBYSA-N 1 0 320.389 3.236 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927100841 628013816 /nfs/dbraw/zinc/01/38/16/628013816.db2.gz LNRFKVLJKSRDRI-AAEUAGOBSA-N 1 0 321.421 3.421 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@]23C[C@H]2CCC3)n1 ZINC000927121589 628020930 /nfs/dbraw/zinc/02/09/30/628020930.db2.gz MBERBAUHFJNGGG-NYTXWWLZSA-N 1 0 304.394 3.055 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000819108312 628093439 /nfs/dbraw/zinc/09/34/39/628093439.db2.gz CBOPSLBMZWKGEO-MKVSYHDVSA-N 1 0 304.390 3.187 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000819108574 628093504 /nfs/dbraw/zinc/09/35/04/628093504.db2.gz HRKBGFHIWSZKFA-TZDHZFECSA-N 1 0 304.390 3.187 20 5 DGBDRO Cc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000819112932 628094401 /nfs/dbraw/zinc/09/44/01/628094401.db2.gz JULGVDUHLGGKEC-PXAZEXFGSA-N 1 0 318.373 3.141 20 5 DGBDRO CCS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819134455 628098039 /nfs/dbraw/zinc/09/80/39/628098039.db2.gz YMQVHOMEDAXWJZ-BMFZPTHFSA-N 1 0 324.446 3.282 20 5 DGBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000819189967 628109642 /nfs/dbraw/zinc/10/96/42/628109642.db2.gz MBOPPULSVIULEF-MRXNPFEDSA-N 1 0 306.406 3.434 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC2=CCCCCC2)cc1 ZINC000819236325 628118007 /nfs/dbraw/zinc/11/80/07/628118007.db2.gz SLIYBCBZQBIZJJ-QGZVFWFLSA-N 1 0 304.390 3.498 20 5 DGBDRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928246390 628132650 /nfs/dbraw/zinc/13/26/50/628132650.db2.gz DDIGZLGSOHQUJC-CYBMUJFWSA-N 1 0 319.405 3.037 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)c1 ZINC000819366000 628141887 /nfs/dbraw/zinc/14/18/87/628141887.db2.gz GKVUVAUNCGNGJD-DJIMGWMZSA-N 1 0 304.390 3.044 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2C[C@H](C)CC[NH2+]2)n1 ZINC000822807788 628497450 /nfs/dbraw/zinc/49/74/50/628497450.db2.gz HGHPEYNXLMBUQS-RNCFNFMXSA-N 1 0 302.334 3.014 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)s1 ZINC000823070074 628523167 /nfs/dbraw/zinc/52/31/67/628523167.db2.gz YJRLMBBGHOFUCX-BBBLOLIVSA-N 1 0 320.374 3.300 20 5 DGBDRO Cc1cc(-c2noc([C@H]3C[C@H](C)CC[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000823269173 628544124 /nfs/dbraw/zinc/54/41/24/628544124.db2.gz DGRZLBQAGKCFGC-NOZJJQNGSA-N 1 0 302.334 3.014 20 5 DGBDRO Cc1c(-c2noc([C@@H]3C[C@@H](C)CC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000823269625 628544153 /nfs/dbraw/zinc/54/41/53/628544153.db2.gz JNAFSWHXKSCOGL-CABZTGNLSA-N 1 0 302.334 3.014 20 5 DGBDRO C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000824445711 628661463 /nfs/dbraw/zinc/66/14/63/628661463.db2.gz LEAKCAKTMSOEPH-LBPRGKRZSA-N 1 0 323.824 3.164 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1Cl ZINC000824715167 628686209 /nfs/dbraw/zinc/68/62/09/628686209.db2.gz IQWQKUFTQOEYSX-JGGQBBKZSA-N 1 0 324.808 3.374 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826868027 628897327 /nfs/dbraw/zinc/89/73/27/628897327.db2.gz OOXCNGNUAIRADE-GFCCVEGCSA-N 1 0 311.813 3.211 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1(CO)CC1 ZINC000826991188 628911038 /nfs/dbraw/zinc/91/10/38/628911038.db2.gz VGVAEOPTEMONGZ-MRVPVSSYSA-N 1 0 319.188 3.152 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1F ZINC000828906265 629107749 /nfs/dbraw/zinc/10/77/49/629107749.db2.gz VSHDBUJCLMCNHB-ZFWWWQNUSA-N 1 0 308.353 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCCCCCO)C2)cc1 ZINC000831539622 629388194 /nfs/dbraw/zinc/38/81/94/629388194.db2.gz SUJHLPUBLHHITD-MRXNPFEDSA-N 1 0 306.406 3.327 20 5 DGBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000831653894 629401389 /nfs/dbraw/zinc/40/13/89/629401389.db2.gz BRRJRYVYVBVBFS-ZBFHGGJFSA-N 1 0 312.385 3.113 20 5 DGBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000831653891 629401394 /nfs/dbraw/zinc/40/13/94/629401394.db2.gz BRRJRYVYVBVBFS-GDBMZVCRSA-N 1 0 312.385 3.113 20 5 DGBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000832633483 629501192 /nfs/dbraw/zinc/50/11/92/629501192.db2.gz FXSXXEZORZISSL-GOSISDBHSA-N 1 0 314.385 3.377 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H](C)C1 ZINC000832690464 629504966 /nfs/dbraw/zinc/50/49/66/629504966.db2.gz IABIVTOIBZOXGH-IARIHHJXSA-N 1 0 306.406 3.433 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C(C)C ZINC000834387272 629703000 /nfs/dbraw/zinc/70/30/00/629703000.db2.gz DYUOWBUSYMGLEZ-GVDBMIGSSA-N 1 0 306.406 3.241 20 5 DGBDRO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000834675896 629754340 /nfs/dbraw/zinc/75/43/40/629754340.db2.gz MFJRISFFKIJARE-HNNXBMFYSA-N 1 0 322.796 3.259 20 5 DGBDRO C[C@@H]([NH2+]CCOCC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834912611 629807741 /nfs/dbraw/zinc/80/77/41/629807741.db2.gz XNFQNUQBWZELRU-GFCCVEGCSA-N 1 0 307.394 3.034 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC000842588656 630551138 /nfs/dbraw/zinc/55/11/38/630551138.db2.gz OCUGBHMZRQGXQY-SNVBAGLBSA-N 1 0 310.741 3.344 20 5 DGBDRO CC(C)[C@H]([NH3+])c1noc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000843149575 630620269 /nfs/dbraw/zinc/62/02/69/630620269.db2.gz BPIMSHPBRBSKKF-SKDRFNHKSA-N 1 0 322.390 3.487 20 5 DGBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843427659 630657627 /nfs/dbraw/zinc/65/76/27/630657627.db2.gz SWSFXVFAVAUVBH-ZYHUDNBSSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844435546 630728925 /nfs/dbraw/zinc/72/89/25/630728925.db2.gz FCHDDAMFWIUTEC-CQSZACIVSA-N 1 0 312.316 3.095 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439470 630729805 /nfs/dbraw/zinc/72/98/05/630729805.db2.gz IDTXRSLQZDUSAW-AWEZNQCLSA-N 1 0 312.316 3.225 20 5 DGBDRO Cc1ccc(-c2noc([C@H]3CC[C@H](C4CC4)[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000844912580 630978997 /nfs/dbraw/zinc/97/89/97/630978997.db2.gz OGPVNJTXZHTCGA-CHWSQXEVSA-N 1 0 314.345 3.156 20 5 DGBDRO Cc1cc(N2C[C@H]3[C@@H](C2)C3(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000845752764 631194617 /nfs/dbraw/zinc/19/46/17/631194617.db2.gz FFEOGALGHPMGEA-TXEJJXNPSA-N 1 0 305.284 3.153 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)c1ccccc1F ZINC000848521011 631675147 /nfs/dbraw/zinc/67/51/47/631675147.db2.gz MAGRTLJWIPXDQA-WBVHZDCISA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccc(Cl)nc1 ZINC000848532657 631680602 /nfs/dbraw/zinc/68/06/02/631680602.db2.gz KSDIUYUGXGDGSW-CQSZACIVSA-N 1 0 317.776 3.463 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000848536973 631683244 /nfs/dbraw/zinc/68/32/44/631683244.db2.gz YTDSMPKAWNUSSE-HKUYNNGSSA-N 1 0 324.380 3.006 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000848550409 631688031 /nfs/dbraw/zinc/68/80/31/631688031.db2.gz MFKWPCCRGZSDPH-BJOOFOGMSA-N 1 0 312.369 3.294 20 5 DGBDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000848567293 631695601 /nfs/dbraw/zinc/69/56/01/631695601.db2.gz RWQWWZRTGYGDOC-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848572231 631697733 /nfs/dbraw/zinc/69/77/33/631697733.db2.gz WOXQDFMZZQABKR-OCCSQVGLSA-N 1 0 319.405 3.319 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848785596 631748030 /nfs/dbraw/zinc/74/80/30/631748030.db2.gz MTOLTWCFMOIRQK-NVXWUHKLSA-N 1 0 317.389 3.226 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)cc1 ZINC000850386720 632134957 /nfs/dbraw/zinc/13/49/57/632134957.db2.gz RRJMUJTUBYLSJP-CRAIPNDOSA-N 1 0 311.385 3.491 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000850525796 632180391 /nfs/dbraw/zinc/18/03/91/632180391.db2.gz QTKBXGIZLZPTCO-OCCSQVGLSA-N 1 0 320.389 3.356 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1COC2(CCC2)C1)C1CC1 ZINC000850525733 632180989 /nfs/dbraw/zinc/18/09/89/632180989.db2.gz QFEQDCQNIZADDC-CVEARBPZSA-N 1 0 316.401 3.217 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850542287 632187260 /nfs/dbraw/zinc/18/72/60/632187260.db2.gz LBLIWQXHBMTKHL-QFYYESIMSA-N 1 0 313.357 3.221 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1SCCS1 ZINC000850560727 632193823 /nfs/dbraw/zinc/19/38/23/632193823.db2.gz NADURELYKBIJKN-LLVKDONJSA-N 1 0 312.460 3.312 20 5 DGBDRO CO[C@@H]1CC[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000851791275 632495015 /nfs/dbraw/zinc/49/50/15/632495015.db2.gz WKKIQVNMWSSLON-WMLDXEAASA-N 1 0 320.389 3.006 20 5 DGBDRO CC1(C)OC[C@H](CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000851816535 632502221 /nfs/dbraw/zinc/50/22/21/632502221.db2.gz ILWVSKJPJRFITB-INIZCTEOSA-N 1 0 320.389 3.101 20 5 DGBDRO CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000852135547 632561297 /nfs/dbraw/zinc/56/12/97/632561297.db2.gz PQDYURJSAFAYBU-USXIJHARSA-N 1 0 304.390 3.342 20 5 DGBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000852193270 632568341 /nfs/dbraw/zinc/56/83/41/632568341.db2.gz ZVQKZNCYRHENNJ-KRWDZBQOSA-N 1 0 318.348 3.073 20 5 DGBDRO CC[C@H](C)[N@H+](CC)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852294174 632582620 /nfs/dbraw/zinc/58/26/20/632582620.db2.gz WPFAWZFHWBUZBB-JTQLQIEISA-N 1 0 313.785 3.307 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1CCO ZINC000852457413 632606196 /nfs/dbraw/zinc/60/61/96/632606196.db2.gz RJUZQQXKRSYDAM-XHDPSFHLSA-N 1 0 312.797 3.231 20 5 DGBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)O ZINC000708538107 660924099 /nfs/dbraw/zinc/92/40/99/660924099.db2.gz DSHLICGUTZRABS-UHFFFAOYSA-N 1 0 300.786 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(CNC2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000793335000 661025060 /nfs/dbraw/zinc/02/50/60/661025060.db2.gz AEFOHPDRQJFKIM-UHFFFAOYSA-N 1 0 323.824 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(C4CC4)CC3)c2c1 ZINC000793621662 661050676 /nfs/dbraw/zinc/05/06/76/661050676.db2.gz ZLNUNPBBADAOLA-UHFFFAOYSA-N 1 0 300.362 3.024 20 5 DGBDRO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC(C)(C)C1 ZINC000794683328 661098450 /nfs/dbraw/zinc/09/84/50/661098450.db2.gz DGJSCISQWSNBGT-CQSZACIVSA-N 1 0 302.378 3.413 20 5 DGBDRO CCC(=O)c1ccc(N2CC[C@H]([NH+](CC)CC)C2)c([N+](=O)[O-])c1 ZINC000795103951 661127065 /nfs/dbraw/zinc/12/70/65/661127065.db2.gz ZPJZHLUTXASFOE-AWEZNQCLSA-N 1 0 319.405 3.108 20 5 DGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000795678532 661167176 /nfs/dbraw/zinc/16/71/76/661167176.db2.gz FMOHHMGYVFMMDC-OAGGEKHMSA-N 1 0 312.373 3.017 20 5 DGBDRO C[C@@](O)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000255898237 655963462 /nfs/dbraw/zinc/96/34/62/655963462.db2.gz ROERFWKAGWJLGJ-YPLUBFQTSA-N 1 0 312.369 3.105 20 5 DGBDRO CO[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000453199521 655971950 /nfs/dbraw/zinc/97/19/50/655971950.db2.gz SHJRGKGZVXRTIM-CABCVRRESA-N 1 0 324.808 3.338 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000715964061 661216302 /nfs/dbraw/zinc/21/63/02/661216302.db2.gz CSZFLOOBEUATGO-QWHCGFSZSA-N 1 0 308.378 3.035 20 5 DGBDRO C[C@@H](c1ccc(F)nc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930438866 661273083 /nfs/dbraw/zinc/27/30/83/661273083.db2.gz DROFQQVYRZVAOI-LBPRGKRZSA-N 1 0 303.337 3.364 20 5 DGBDRO C[C@H](c1ccc(F)nc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930438863 661273097 /nfs/dbraw/zinc/27/30/97/661273097.db2.gz DROFQQVYRZVAOI-GFCCVEGCSA-N 1 0 303.337 3.364 20 5 DGBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)c2ccccc2C[NH2+]1 ZINC000261837116 657123720 /nfs/dbraw/zinc/12/37/20/657123720.db2.gz ILPMJQOAQJCEGE-GFCCVEGCSA-N 1 0 315.348 3.232 20 5 DGBDRO CC1(C)CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]1 ZINC000263108271 658136397 /nfs/dbraw/zinc/13/63/97/658136397.db2.gz DFHKONCBXCFLNP-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO Cc1nn(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000246669042 658854311 /nfs/dbraw/zinc/85/43/11/658854311.db2.gz BCUWTYPGKNETJA-WBMJQRKESA-N 1 0 314.389 3.244 20 5 DGBDRO CCC[C@H](CCO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227446146 659156493 /nfs/dbraw/zinc/15/64/93/659156493.db2.gz PYXCUPPGPHGOCO-LLVKDONJSA-N 1 0 300.786 3.137 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000170784833 659238198 /nfs/dbraw/zinc/23/81/98/659238198.db2.gz TXXXHYYRFZOISZ-INIZCTEOSA-N 1 0 321.396 3.184 20 5 DGBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172180331 659323405 /nfs/dbraw/zinc/32/34/05/659323405.db2.gz VKKBWRCGBPKTRB-HUUCEWRRSA-N 1 0 312.797 3.374 20 5 DGBDRO OCCOCCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000181230842 659987775 /nfs/dbraw/zinc/98/77/75/659987775.db2.gz PZLCUPUJGTWRDH-UHFFFAOYSA-N 1 0 309.409 3.482 20 5 DGBDRO C[N@H+](CCCNCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000069953131 660031114 /nfs/dbraw/zinc/03/11/14/660031114.db2.gz MWKMFZWBIHZZLB-UHFFFAOYSA-N 1 0 305.422 3.339 20 5 DGBDRO CCC[C@H]([NH2+]CCC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000183896469 660146217 /nfs/dbraw/zinc/14/62/17/660146217.db2.gz FDGRHSKOSLOFEP-HNNXBMFYSA-N 1 0 308.378 3.179 20 5 DGBDRO O=[N+]([O-])CC[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000929838425 661343313 /nfs/dbraw/zinc/34/33/13/661343313.db2.gz IFTPCQPGOSEZCS-UHFFFAOYSA-N 1 0 302.296 3.162 20 5 DGBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000930213986 661378794 /nfs/dbraw/zinc/37/87/94/661378794.db2.gz VDZKODVGNBYPLJ-ZDUSSCGKSA-N 1 0 313.195 3.157 20 5 DGBDRO C[C@@](CO)([NH2+]Cc1ccccc1CF)c1cccc([N+](=O)[O-])c1 ZINC000931469149 661480384 /nfs/dbraw/zinc/48/03/84/661480384.db2.gz AACJRZFEDUVZHP-KRWDZBQOSA-N 1 0 318.348 3.062 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931919873 661522690 /nfs/dbraw/zinc/52/26/90/661522690.db2.gz ZZFJQYLHGIGJBY-LBPRGKRZSA-N 1 0 318.270 3.461 20 5 DGBDRO Cc1nc([C@@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)no1 ZINC000931938233 661524357 /nfs/dbraw/zinc/52/43/57/661524357.db2.gz LPDNMCMMGUBBKT-WCQYABFASA-N 1 0 316.361 3.145 20 5 DGBDRO COC(=O)C[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000932105782 661537163 /nfs/dbraw/zinc/53/71/63/661537163.db2.gz WXNDPIWCSXGYEC-MGPQQGTHSA-N 1 0 320.389 3.095 20 5 DGBDRO C[C@@H]([NH2+]CC[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932177232 661544670 /nfs/dbraw/zinc/54/46/70/661544670.db2.gz UADWELWXUFFKJV-CXAGYDPISA-N 1 0 300.358 3.369 20 5 DGBDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000932275373 661555825 /nfs/dbraw/zinc/55/58/25/661555825.db2.gz OXOFTKJHZBHBOP-CZUORRHYSA-N 1 0 314.389 3.096 20 5 DGBDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932277525 661556059 /nfs/dbraw/zinc/55/60/59/661556059.db2.gz VODDGSRULFSVRH-RHSMWYFYSA-N 1 0 314.389 3.059 20 5 DGBDRO C[C@@H](COCC1CCCCC1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000932421267 661568867 /nfs/dbraw/zinc/56/88/67/661568867.db2.gz ALTOLDSQMUWKAT-ZDUSSCGKSA-N 1 0 307.394 3.065 20 5 DGBDRO COc1ccc(C[N@@H+]2CCCSC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000933916996 661666372 /nfs/dbraw/zinc/66/63/72/661666372.db2.gz XURPCSUMMYXUCU-OAHLLOKOSA-N 1 0 322.430 3.321 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1CN(Cc1ccoc1)C1CC1 ZINC000934003869 661673041 /nfs/dbraw/zinc/67/30/41/661673041.db2.gz JZUSFADSCUWYEC-UHFFFAOYSA-N 1 0 302.330 3.361 20 5 DGBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934236119 661690636 /nfs/dbraw/zinc/69/06/36/661690636.db2.gz LFVOIHWCECNCKD-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CC=CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000934624897 661719855 /nfs/dbraw/zinc/71/98/55/661719855.db2.gz OKCCGEVVFOTOCU-TZMCWYRMSA-N 1 0 317.389 3.176 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](c2ccncc2)C2CC2)c1 ZINC000934688053 661725657 /nfs/dbraw/zinc/72/56/57/661725657.db2.gz RKWVTCWTKXWMMJ-QGZVFWFLSA-N 1 0 313.357 3.110 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](c2ccncc2)C2CC2)c1 ZINC000934688051 661725742 /nfs/dbraw/zinc/72/57/42/661725742.db2.gz RKWVTCWTKXWMMJ-KRWDZBQOSA-N 1 0 313.357 3.110 20 5 DGBDRO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000934762125 661732696 /nfs/dbraw/zinc/73/26/96/661732696.db2.gz MWCVPIZURZYFAD-ARFHVFGLSA-N 1 0 304.390 3.139 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934834757 661738888 /nfs/dbraw/zinc/73/88/88/661738888.db2.gz RXVDLPIPQFGGJF-UKRRQHHQSA-N 1 0 322.380 3.373 20 5 DGBDRO COc1ccc(C[NH2+]CCc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000155919179 661855037 /nfs/dbraw/zinc/85/50/37/661855037.db2.gz NROFJNYPPVQXKU-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO COc1cc(C[N@@H+]2CCC3(CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093336612 662353121 /nfs/dbraw/zinc/35/31/21/662353121.db2.gz IITSXAAHYWFRSN-UHFFFAOYSA-N 1 0 320.389 3.378 20 5 DGBDRO C[NH2+]CCC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000262010313 685122513 /nfs/dbraw/zinc/12/25/13/685122513.db2.gz SYYWSGQLHZIAIU-UHFFFAOYSA-N 1 0 311.813 3.070 20 5 DGBDRO [NH3+][C@@H]1CC[C@H](CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001580389913 1192024879 /nfs/dbraw/zinc/02/48/79/1192024879.db2.gz XBLLRYYZIRGLFG-DTWKUNHWSA-N 1 0 303.284 3.153 20 5 DGBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001580405593 1192025450 /nfs/dbraw/zinc/02/54/50/1192025450.db2.gz XRFPYIHYWHGBBG-SJLPKXTDSA-N 1 0 320.352 3.180 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](CO)CCC(C)(C)C ZINC001662307897 1196705079 /nfs/dbraw/zinc/70/50/79/1196705079.db2.gz BGNSFRIEOXZJTI-CQSZACIVSA-N 1 0 308.422 3.488 20 5 DGBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)C[NH+](C)C ZINC001621555249 1192496259 /nfs/dbraw/zinc/49/62/59/1192496259.db2.gz XAJZHOQREUUZHO-UHFFFAOYSA-N 1 0 313.829 3.268 20 5 DGBDRO CC(F)(F)CC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001620952627 1192647129 /nfs/dbraw/zinc/64/71/29/1192647129.db2.gz BDVPGGALQRWHBS-UHFFFAOYSA-N 1 0 323.137 3.492 20 5 DGBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[N@H+](C)C1CC1 ZINC001332207249 1178393941 /nfs/dbraw/zinc/39/39/41/1178393941.db2.gz LNWZTPWERBBNHS-NSHDSACASA-N 1 0 300.362 3.038 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC001333347622 1178592991 /nfs/dbraw/zinc/59/29/91/1178592991.db2.gz ZQSNOTOLTWUPLM-CABCVRRESA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@@H](CF)C3)c2)cc1 ZINC001333807118 1178677734 /nfs/dbraw/zinc/67/77/34/1178677734.db2.gz OCHBJISJGNEVRB-ZDUSSCGKSA-N 1 0 318.352 3.097 20 5 DGBDRO O=[N+]([O-])CC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC001334687599 1178780135 /nfs/dbraw/zinc/78/01/35/1178780135.db2.gz XWQFHYZWEGIYBU-MRXNPFEDSA-N 1 0 306.312 3.115 20 5 DGBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001335335330 1178897957 /nfs/dbraw/zinc/89/79/57/1178897957.db2.gz DYHHKLRZHOXXCK-IRXDYDNUSA-N 1 0 315.373 3.010 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001335447717 1178911135 /nfs/dbraw/zinc/91/11/35/1178911135.db2.gz JBHZKLJEJQZZLQ-ZUZCIYMTSA-N 1 0 321.764 3.027 20 5 DGBDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC001336048764 1178986325 /nfs/dbraw/zinc/98/63/25/1178986325.db2.gz YLQXOAGAOWHVGK-SECBINFHSA-N 1 0 309.366 3.185 20 5 DGBDRO C[NH2+][C@H](C)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC001345811042 1179609114 /nfs/dbraw/zinc/60/91/14/1179609114.db2.gz WOVHVBBVPOAQCT-CYBMUJFWSA-N 1 0 307.397 3.116 20 5 DGBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001346110774 1179655465 /nfs/dbraw/zinc/65/54/65/1179655465.db2.gz TZMVJGUCKAURAA-ZWKOTPCHSA-N 1 0 312.369 3.214 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C[N@@H+]1C1CC1 ZINC001349995499 1179994655 /nfs/dbraw/zinc/99/46/55/1179994655.db2.gz QIVRIUXQNOYGCT-NWDGAFQWSA-N 1 0 312.373 3.180 20 5 DGBDRO C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001354154839 1180731902 /nfs/dbraw/zinc/73/19/02/1180731902.db2.gz FJBFQXGCNYBJDA-QWHCGFSZSA-N 1 0 318.421 3.242 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C2CCC3(CC3)CC2)c1[N+](=O)[O-] ZINC001355290322 1181029796 /nfs/dbraw/zinc/02/97/96/1181029796.db2.gz QSINXNCGTIOEDG-UHFFFAOYSA-N 1 0 306.362 3.121 20 5 DGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001474626526 1181595307 /nfs/dbraw/zinc/59/53/07/1181595307.db2.gz NGOXYFOSFUMRAD-UWIFEVILSA-N 1 0 318.417 3.463 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001450779960 1182258107 /nfs/dbraw/zinc/25/81/07/1182258107.db2.gz KVNHYRUNDHGEQM-ZDUSSCGKSA-N 1 0 321.421 3.062 20 5 DGBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001458053640 1182492042 /nfs/dbraw/zinc/49/20/42/1182492042.db2.gz FMAYGXKKZMJYPZ-SNVBAGLBSA-N 1 0 313.785 3.153 20 5 DGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001458239057 1182508325 /nfs/dbraw/zinc/50/83/25/1182508325.db2.gz LASQVVPMJMEUKH-UHFFFAOYSA-N 1 0 317.364 3.302 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1(C)C ZINC001458450646 1182525150 /nfs/dbraw/zinc/52/51/50/1182525150.db2.gz HZTBSGRGMAZNTA-HUUCEWRRSA-N 1 0 314.389 3.284 20 5 DGBDRO C[N@@H+]1Cc2ccccc2[C@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001458547745 1182538022 /nfs/dbraw/zinc/53/80/22/1182538022.db2.gz PGVKRLOIFAJGDZ-MRXNPFEDSA-N 1 0 323.356 3.070 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC001460272548 1182670394 /nfs/dbraw/zinc/67/03/94/1182670394.db2.gz SVNGQGRZEVCMRG-OAHLLOKOSA-N 1 0 322.430 3.321 20 5 DGBDRO C[C@@H](C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC001460622209 1182700143 /nfs/dbraw/zinc/70/01/43/1182700143.db2.gz UCDAUGUODMEHSF-DYVFJYSZSA-N 1 0 308.422 3.464 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001460962683 1182747215 /nfs/dbraw/zinc/74/72/15/1182747215.db2.gz ICDBBVLGASVSOR-MRXNPFEDSA-N 1 0 320.389 3.042 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC001461257779 1182787270 /nfs/dbraw/zinc/78/72/70/1182787270.db2.gz QRHCDZBVJATTJK-RDJZCZTQSA-N 1 0 306.406 3.444 20 5 DGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001461870875 1182868137 /nfs/dbraw/zinc/86/81/37/1182868137.db2.gz HEQKTQGPBRSLEV-CVEARBPZSA-N 1 0 317.433 3.270 20 5 DGBDRO CCC(CC)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[NH+](C)C ZINC001472650095 1183660485 /nfs/dbraw/zinc/66/04/85/1183660485.db2.gz JQOLRWIZASNURA-CQSZACIVSA-N 1 0 324.381 3.281 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001472711086 1183670119 /nfs/dbraw/zinc/67/01/19/1183670119.db2.gz UALWEFZIQBPJCJ-CHWSQXEVSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1ccc(NCCNc2ccc([N+](=O)[O-])c3cccnc23)nc1 ZINC001472885312 1183696158 /nfs/dbraw/zinc/69/61/58/1183696158.db2.gz OZVZBJTYCKYVEU-UHFFFAOYSA-N 1 0 323.356 3.370 20 5 DGBDRO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC[N+](=O)[O-] ZINC001473286815 1183739125 /nfs/dbraw/zinc/73/91/25/1183739125.db2.gz NUEYNAXXCBSNAO-BEFAXECRSA-N 1 0 310.397 3.342 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CCOCC3)o2)c1 ZINC001473941281 1183833015 /nfs/dbraw/zinc/83/30/15/1183833015.db2.gz DOZBFBIDADUVIM-UHFFFAOYSA-N 1 0 302.330 3.123 20 5 DGBDRO Cc1cc(C)c(/C=C\C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1C ZINC001474054993 1183859215 /nfs/dbraw/zinc/85/92/15/1183859215.db2.gz WMKGBICTVOEXTF-PLNGDYQASA-N 1 0 314.389 3.020 20 5 DGBDRO C[C@@H](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+](C)C ZINC001474223285 1183885603 /nfs/dbraw/zinc/88/56/03/1183885603.db2.gz FKOVZVBENKMKSH-ZDUSSCGKSA-N 1 0 317.389 3.285 20 5 DGBDRO Cc1cccn2c(C[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)cnc12 ZINC001474239990 1183887825 /nfs/dbraw/zinc/88/78/25/1183887825.db2.gz OFDNUIFBAFIMBF-UHFFFAOYSA-N 1 0 310.357 3.149 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC001474354761 1183909190 /nfs/dbraw/zinc/90/91/90/1183909190.db2.gz VTHGOVJKQHDOKI-OAHLLOKOSA-N 1 0 306.406 3.459 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC001474391310 1183914209 /nfs/dbraw/zinc/91/42/09/1183914209.db2.gz LOKGLCSWXMUIEB-RHSMWYFYSA-N 1 0 306.406 3.195 20 5 DGBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001612381102 1193451290 /nfs/dbraw/zinc/45/12/90/1193451290.db2.gz FBGJZOIVGQZLDH-UHFFFAOYSA-N 1 0 320.437 3.327 20 5 DGBDRO CC(=O)c1ccc(N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])c1 ZINC001612607462 1193457421 /nfs/dbraw/zinc/45/74/21/1193457421.db2.gz ROOBCKONPYJIIG-JKSUJKDBSA-N 1 0 317.389 3.082 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001522857889 1187109116 /nfs/dbraw/zinc/10/91/16/1187109116.db2.gz PTPUWJNDAYKGCT-CYBMUJFWSA-N 1 0 321.421 3.062 20 5 DGBDRO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001616468186 1193540492 /nfs/dbraw/zinc/54/04/92/1193540492.db2.gz WVIBOEBWRHATEY-ZDUSSCGKSA-N 1 0 318.348 3.289 20 5 DGBDRO CC(C)(C)[NH2+]CCNc1c(Br)cccc1[N+](=O)[O-] ZINC001559111934 1189171760 /nfs/dbraw/zinc/17/17/60/1189171760.db2.gz BLNLBNXKKRBKMT-UHFFFAOYSA-N 1 0 316.199 3.157 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCCCC3)CC2)c1 ZINC001559146921 1189175258 /nfs/dbraw/zinc/17/52/58/1189175258.db2.gz YUMVUGYQKQIGDZ-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO C[NH+]1CCC(C)(CNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001559148622 1189175295 /nfs/dbraw/zinc/17/52/95/1189175295.db2.gz MCOCVYRQENMLJC-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001559283673 1189191870 /nfs/dbraw/zinc/19/18/70/1189191870.db2.gz SLYPGLWRFLMQSP-WCBMZHEXSA-N 1 0 303.284 3.118 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC001559811704 1189245851 /nfs/dbraw/zinc/24/58/51/1189245851.db2.gz NTHXSNIFBUAKCL-HZPDHXFCSA-N 1 0 322.405 3.157 20 5 DGBDRO CCOc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC001560291658 1189306235 /nfs/dbraw/zinc/30/62/35/1189306235.db2.gz BAOKFUAHUBFQKG-UHFFFAOYSA-N 1 0 316.357 3.292 20 5 DGBDRO COc1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)ccc1F ZINC001560318820 1189311111 /nfs/dbraw/zinc/31/11/11/1189311111.db2.gz DHPSIXLPSQFFJE-UHFFFAOYSA-N 1 0 320.320 3.041 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC001560369126 1189319020 /nfs/dbraw/zinc/31/90/20/1189319020.db2.gz NYGIFRBKEPYEAM-DLBZAZTESA-N 1 0 306.406 3.242 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC001560433829 1189328748 /nfs/dbraw/zinc/32/87/48/1189328748.db2.gz AFUYXAFOLIIXRP-GMXVVIOVSA-N 1 0 308.378 3.223 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC001560571108 1189342989 /nfs/dbraw/zinc/34/29/89/1189342989.db2.gz HKMRAOPVQNQXIO-HNNXBMFYSA-N 1 0 322.405 3.288 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC001560590374 1189345015 /nfs/dbraw/zinc/34/50/15/1189345015.db2.gz UAWMATZQOROWDL-RKLWJJNISA-N 1 0 304.390 3.375 20 5 DGBDRO CCOC(=O)C1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCC1 ZINC001560704393 1189364077 /nfs/dbraw/zinc/36/40/77/1189364077.db2.gz HAABSMBGQHZDLP-UHFFFAOYSA-N 1 0 320.389 3.035 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001560742047 1189371823 /nfs/dbraw/zinc/37/18/23/1189371823.db2.gz QJRARDALTCDNJH-NQBHXWOUSA-N 1 0 308.378 3.223 20 5 DGBDRO CC(C)(C)[C@H](C[NH3+])NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001575107487 1191466321 /nfs/dbraw/zinc/46/63/21/1191466321.db2.gz CIBNDPGBAPVBKV-NSHDSACASA-N 1 0 320.220 3.365 20 5 DGBDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001575446709 1191484105 /nfs/dbraw/zinc/48/41/05/1191484105.db2.gz HVMSPIRFPRTXHT-GFCCVEGCSA-N 1 0 313.785 3.196 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccccc2-n2ccnc2)cccc1[N+](=O)[O-] ZINC001620747706 1193797556 /nfs/dbraw/zinc/79/75/56/1193797556.db2.gz SAYBJHKRQYXOGU-UHFFFAOYSA-N 1 0 322.368 3.379 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCCCC1 ZINC001621235392 1193820375 /nfs/dbraw/zinc/82/03/75/1193820375.db2.gz AVQSUGUSGQDUGE-GRTSSRMGSA-N 1 0 306.410 3.443 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001621398619 1193837169 /nfs/dbraw/zinc/83/71/69/1193837169.db2.gz NAURWSXCNFYTSI-VXGBXAGGSA-N 1 0 308.378 3.223 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001638230584 1194707658 /nfs/dbraw/zinc/70/76/58/1194707658.db2.gz GRHJHKYJYITVEN-KBPBESRZSA-N 1 0 319.405 3.271 20 5 DGBDRO Cc1ccc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC001639143499 1194752368 /nfs/dbraw/zinc/75/23/68/1194752368.db2.gz KHMUYKVKQPMZPR-MRXNPFEDSA-N 1 0 313.401 3.488 20 5 DGBDRO C[NH+](C)CCN(CC1CCCCC1)c1ncc([N+](=O)[O-])cc1F ZINC001639681957 1194777089 /nfs/dbraw/zinc/77/70/89/1194777089.db2.gz IETYHPHBNWLGFP-UHFFFAOYSA-N 1 0 324.400 3.077 20 5 DGBDRO C[C@@H](CNc1cccc(C(F)(F)F)c1[N+](=O)[O-])C[NH+](C)C ZINC001639973312 1194789517 /nfs/dbraw/zinc/78/95/17/1194789517.db2.gz WLYNLAXILDMVRF-VIFPVBQESA-N 1 0 305.300 3.223 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1(C)C ZINC001640067287 1194794623 /nfs/dbraw/zinc/79/46/23/1194794623.db2.gz FQLYQVJAIIERPG-LSDHHAIUSA-N 1 0 314.389 3.284 20 5 DGBDRO C[C@@H](c1ccccc1)[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC001642341706 1194903248 /nfs/dbraw/zinc/90/32/48/1194903248.db2.gz QXETYURMVNJVFG-HNNXBMFYSA-N 1 0 314.385 3.193 20 5 DGBDRO CCC(CC)[NH2+]CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001642881746 1194951095 /nfs/dbraw/zinc/95/10/95/1194951095.db2.gz MRIVLGHJNDZPNM-UHFFFAOYSA-N 1 0 302.378 3.333 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC001643115266 1194996547 /nfs/dbraw/zinc/99/65/47/1194996547.db2.gz CGUIVQOYIJJOFN-CQSZACIVSA-N 1 0 312.373 3.013 20 5 DGBDRO Cc1cc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001643115373 1194996989 /nfs/dbraw/zinc/99/69/89/1194996989.db2.gz HNBVQMBJUIHPND-CQSZACIVSA-N 1 0 312.373 3.013 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001643327487 1195015769 /nfs/dbraw/zinc/01/57/69/1195015769.db2.gz WHHGCRSBQQMIOG-MRXNPFEDSA-N 1 0 317.776 3.399 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001644481760 1195112062 /nfs/dbraw/zinc/11/20/62/1195112062.db2.gz ZGEQOJSYIDZUJY-QFBILLFUSA-N 1 0 324.380 3.247 20 5 DGBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC001645196717 1195165199 /nfs/dbraw/zinc/16/51/99/1195165199.db2.gz HXQIWIBPXVHPMW-ZDUSSCGKSA-N 1 0 304.415 3.433 20 5 DGBDRO CC1(C)CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001645369865 1195179002 /nfs/dbraw/zinc/17/90/02/1195179002.db2.gz VFVPZPZBEQJEPE-OAHLLOKOSA-N 1 0 319.405 3.482 20 5 DGBDRO CC(C)CC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001648695703 1195323403 /nfs/dbraw/zinc/32/34/03/1195323403.db2.gz CKTCSZYYUDBEQG-UHFFFAOYSA-N 1 0 301.184 3.493 20 5 DGBDRO CSC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001650617129 1195365236 /nfs/dbraw/zinc/36/52/36/1195365236.db2.gz YHCGQWIHMBAHIN-UHFFFAOYSA-N 1 0 320.361 3.427 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC001650697388 1195372721 /nfs/dbraw/zinc/37/27/21/1195372721.db2.gz PLWUBKHELZETLX-AWEZNQCLSA-N 1 0 306.410 3.365 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001650744747 1195377738 /nfs/dbraw/zinc/37/77/38/1195377738.db2.gz MCEZGKJPFOGKCM-CQSZACIVSA-N 1 0 314.389 3.429 20 5 DGBDRO Cc1noc(-c2ccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)cc2)n1 ZINC001650918360 1195395527 /nfs/dbraw/zinc/39/55/27/1195395527.db2.gz DCCXVUQJVBCVQR-UHFFFAOYSA-N 1 0 324.340 3.243 20 5 DGBDRO Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cnc1Cl ZINC001651021748 1195404617 /nfs/dbraw/zinc/40/46/17/1195404617.db2.gz CTLNHWPDGRYPJD-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CCC(F)F ZINC001651679408 1195496152 /nfs/dbraw/zinc/49/61/52/1195496152.db2.gz KVXZDRXLPUFFLK-UHFFFAOYSA-N 1 0 309.110 3.102 20 5 DGBDRO CC[N@@H+]1CC[C@H]1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001652159466 1195555672 /nfs/dbraw/zinc/55/56/72/1195555672.db2.gz JDBDCDIDQRADQD-JTQLQIEISA-N 1 0 303.284 3.120 20 5 DGBDRO CCC1CCC([N@H+](Cc2cn(C)nc2[N+](=O)[O-])C2CC2)CC1 ZINC001652305472 1195577974 /nfs/dbraw/zinc/57/79/74/1195577974.db2.gz UJBCKPMHJRWAKD-UHFFFAOYSA-N 1 0 306.410 3.262 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC001653175767 1195696005 /nfs/dbraw/zinc/69/60/05/1195696005.db2.gz LPIRRJMCHHTWCT-OAHLLOKOSA-N 1 0 306.410 3.144 20 5 DGBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001653600508 1195737879 /nfs/dbraw/zinc/73/78/79/1195737879.db2.gz DMWQCCSLRWGQEK-CYBMUJFWSA-N 1 0 311.813 3.164 20 5 DGBDRO CCOC(=O)[C@H](CC)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001653648697 1195740995 /nfs/dbraw/zinc/74/09/95/1195740995.db2.gz HLYICPUXGKSWFA-ZBFHGGJFSA-N 1 0 320.389 3.116 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC001653950935 1195762827 /nfs/dbraw/zinc/76/28/27/1195762827.db2.gz ZXRLFBUQIAORHT-OAHLLOKOSA-N 1 0 304.390 3.486 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](CCC1CC1)CC1CC1 ZINC001654324984 1195793040 /nfs/dbraw/zinc/79/30/40/1195793040.db2.gz XWSUXVDSMURHJD-UHFFFAOYSA-N 1 0 304.390 3.486 20 5 DGBDRO Cc1ccc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001654672148 1195828608 /nfs/dbraw/zinc/82/86/08/1195828608.db2.gz GVCVZPCVCZPXLJ-CYBMUJFWSA-N 1 0 322.405 3.313 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CCO)C2CCCC2)c1 ZINC001654909864 1195854975 /nfs/dbraw/zinc/85/49/75/1195854975.db2.gz YFXQSGHBLSDZII-HNNXBMFYSA-N 1 0 312.797 3.279 20 5 DGBDRO C[C@]12C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001654947635 1195858717 /nfs/dbraw/zinc/85/87/17/1195858717.db2.gz OESKWIPWMQOGPB-IHETXDGRSA-N 1 0 316.401 3.342 20 5 DGBDRO CC[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[NH+]1CCCC1 ZINC001654966232 1195859658 /nfs/dbraw/zinc/85/96/58/1195859658.db2.gz LHXGZTCEFJBTJD-AWEZNQCLSA-N 1 0 318.421 3.155 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001655048933 1195870007 /nfs/dbraw/zinc/87/00/07/1195870007.db2.gz CAACJLLOWXMYRF-GFCCVEGCSA-N 1 0 306.410 3.011 20 5 DGBDRO Cc1c(CN[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001655415824 1195913790 /nfs/dbraw/zinc/91/37/90/1195913790.db2.gz ALOBKXZFHWHPAH-UONOGXRCSA-N 1 0 305.422 3.113 20 5 DGBDRO CC[N@H+](CCCNc1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001655641796 1195944470 /nfs/dbraw/zinc/94/44/70/1195944470.db2.gz GNOSUBYFALYITN-UHFFFAOYSA-N 1 0 306.410 3.446 20 5 DGBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C1CCCC1 ZINC001655856863 1195969272 /nfs/dbraw/zinc/96/92/72/1195969272.db2.gz XKBNVFNKFCDQCP-LLVKDONJSA-N 1 0 324.812 3.096 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001656506025 1196044889 /nfs/dbraw/zinc/04/48/89/1196044889.db2.gz GGYXDVXLDNHSIA-IRXDYDNUSA-N 1 0 304.390 3.171 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCCC[C@]23CCOC3)ccc1[N+](=O)[O-] ZINC001656550081 1196049355 /nfs/dbraw/zinc/04/93/55/1196049355.db2.gz ZNIGEZNGWZAEAK-QGZVFWFLSA-N 1 0 320.389 3.139 20 5 DGBDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001656583713 1196051881 /nfs/dbraw/zinc/05/18/81/1196051881.db2.gz OUVBAZJSSIIHCA-HNNXBMFYSA-N 1 0 318.373 3.351 20 5 DGBDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001656587840 1196052889 /nfs/dbraw/zinc/05/28/89/1196052889.db2.gz XJDMLVYWVSTXBN-CYBMUJFWSA-N 1 0 318.373 3.496 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CCCC3)o2)cc1 ZINC001656653345 1196058854 /nfs/dbraw/zinc/05/88/54/1196058854.db2.gz ZLGIDETVRSNJNS-UHFFFAOYSA-N 1 0 315.373 3.040 20 5 DGBDRO COc1cc(C[NH2+]CCC[C@H]2C=CCC2)c([N+](=O)[O-])cc1O ZINC001656893686 1196080535 /nfs/dbraw/zinc/08/05/35/1196080535.db2.gz JJCZFHLNIIMPIY-LBPRGKRZSA-N 1 0 306.362 3.145 20 5 DGBDRO CCC1(C)CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001657131149 1196109256 /nfs/dbraw/zinc/10/92/56/1196109256.db2.gz ALWSRKLVBBNQKH-CYBMUJFWSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1ccc(CN2CC[N@@H+](C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC001657445862 1196141857 /nfs/dbraw/zinc/14/18/57/1196141857.db2.gz LGJORBWNRHRQCI-UHFFFAOYSA-N 1 0 317.433 3.354 20 5 DGBDRO CCC(CC)(CC)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001657577361 1196157291 /nfs/dbraw/zinc/15/72/91/1196157291.db2.gz TXPLPOZMCMKSED-UHFFFAOYSA-N 1 0 307.394 3.482 20 5 DGBDRO CC[C@H]([NH2+]Cc1cn(CC)nc1C)c1cccc([N+](=O)[O-])c1 ZINC001657695492 1196170186 /nfs/dbraw/zinc/17/01/86/1196170186.db2.gz KKZDKSDZLHTRMV-INIZCTEOSA-N 1 0 302.378 3.361 20 5 DGBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CCCC(F)F ZINC001658578257 1196275720 /nfs/dbraw/zinc/27/57/20/1196275720.db2.gz VWZVZEUGKHSXET-UHFFFAOYSA-N 1 0 323.137 3.492 20 5 DGBDRO C[C@@H]([NH2+]Cc1cn2ccnc2s1)c1ccc([N+](=O)[O-])cc1 ZINC001658592379 1196277286 /nfs/dbraw/zinc/27/72/86/1196277286.db2.gz COQSIKSSNULJFT-SNVBAGLBSA-N 1 0 302.359 3.155 20 5 DGBDRO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCCCC1 ZINC001658602102 1196278584 /nfs/dbraw/zinc/27/85/84/1196278584.db2.gz NSYQDVAAQLHEPN-UHFFFAOYSA-N 1 0 319.449 3.335 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC(c3ccc(F)cc3)C2)cc1 ZINC001659403265 1196380071 /nfs/dbraw/zinc/38/00/71/1196380071.db2.gz FWTGHHWMDXBFDX-UHFFFAOYSA-N 1 0 300.333 3.376 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)CC2CCCCC2)cc1 ZINC001659488158 1196388186 /nfs/dbraw/zinc/38/81/86/1196388186.db2.gz JVNTXHSPWAUHMZ-INIZCTEOSA-N 1 0 306.406 3.058 20 5 DGBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCC2CCCCC2)CC1 ZINC001659961478 1196433015 /nfs/dbraw/zinc/43/30/15/1196433015.db2.gz RXNLRVOKZYCZGU-UHFFFAOYSA-N 1 0 318.421 3.082 20 5 DGBDRO CO[C@H](C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001660097025 1196444948 /nfs/dbraw/zinc/44/49/48/1196444948.db2.gz PABICMWOTBLWRL-CXAGYDPISA-N 1 0 306.406 3.493 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001660127387 1196449115 /nfs/dbraw/zinc/44/91/15/1196449115.db2.gz BNFBAXHQLVPSTH-QFBILLFUSA-N 1 0 324.380 3.377 20 5 DGBDRO C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001660165066 1196453374 /nfs/dbraw/zinc/45/33/74/1196453374.db2.gz DWVLQCXLWVXHKM-ZDUSSCGKSA-N 1 0 321.396 3.183 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@]23CCCOC3)cc1F ZINC001660700386 1196513343 /nfs/dbraw/zinc/51/33/43/1196513343.db2.gz HVWMEWVPFNEKDB-MRXNPFEDSA-N 1 0 308.353 3.269 20 5 DGBDRO CC(C)[N@H+](C)CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001661237155 1196586795 /nfs/dbraw/zinc/58/67/95/1196586795.db2.gz NUSASKUERAGIQX-UHFFFAOYSA-N 1 0 317.389 3.285 20 5 DGBDRO CC(C)c1ccc(CNCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001661615953 1196624488 /nfs/dbraw/zinc/62/44/88/1196624488.db2.gz ICPAIIODTWFIMG-AWEZNQCLSA-N 1 0 305.422 3.292 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](CCO)C1CCCC1 ZINC001663353555 1196843169 /nfs/dbraw/zinc/84/31/69/1196843169.db2.gz LKIMPGGNBCGPMP-MRXNPFEDSA-N 1 0 306.406 3.242 20 5 DGBDRO CCOC(=O)C1(C)CC([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001665780858 1197194424 /nfs/dbraw/zinc/19/44/24/1197194424.db2.gz STIXITYMXCOWGM-SFYCDEOASA-N 1 0 320.389 3.020 20 5 DGBDRO [NH3+]CCCCCCOc1c(Br)cccc1[N+](=O)[O-] ZINC000311106601 1199735595 /nfs/dbraw/zinc/73/55/95/1199735595.db2.gz LMHNXUDKEBNVEM-UHFFFAOYSA-N 1 0 317.183 3.255 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000230203210 1202597790 /nfs/dbraw/zinc/59/77/90/1202597790.db2.gz KZGPSUOGOFPBKE-KRTXAFLBSA-N 1 0 305.161 3.278 20 5 DGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc2ccc3cccnc3c2n1 ZINC001164639299 719173686 /nfs/dbraw/zinc/17/36/86/719173686.db2.gz RMAVXRKXBGVJJI-KBPBESRZSA-N 1 0 306.413 3.312 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1NCC[C@H]1CCC[NH2+]1 ZINC001169558615 1081591804 /nfs/dbraw/zinc/59/18/04/1081591804.db2.gz KARXLANHJAKYPV-CQSZACIVSA-N 1 0 312.373 3.211 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2csc(C)n2)c([N+](=O)[O-])c1 ZINC001170298408 1082338263 /nfs/dbraw/zinc/33/82/63/1082338263.db2.gz LBFSOJVKOMOOEI-SNVBAGLBSA-N 1 0 321.402 3.089 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccnc(C)c2)c([N+](=O)[O-])c1 ZINC001170298770 1082338479 /nfs/dbraw/zinc/33/84/79/1082338479.db2.gz NYSYMJCFRQXUMS-CYBMUJFWSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]COc2ccccc2)c([N+](=O)[O-])c1 ZINC001170312209 1082344148 /nfs/dbraw/zinc/34/41/48/1082344148.db2.gz DVELFIHBDJADPN-CYBMUJFWSA-N 1 0 316.357 3.161 20 5 DGBDRO COC[C@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170335158 1082348472 /nfs/dbraw/zinc/34/84/72/1082348472.db2.gz LVZJQXAMAKRBRU-DZGCQCFKSA-N 1 0 322.405 3.035 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccsc2)c([N+](=O)[O-])c1 ZINC001170306710 1082349140 /nfs/dbraw/zinc/34/91/40/1082349140.db2.gz AMRSUODXKFPWQB-LBPRGKRZSA-N 1 0 320.414 3.428 20 5 DGBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nc2ccccc2c2ccccc21 ZINC001170345056 1082355269 /nfs/dbraw/zinc/35/52/69/1082355269.db2.gz ZYPILKVZVZIXDH-UHFFFAOYSA-N 1 0 318.380 3.089 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC001170351005 1082358293 /nfs/dbraw/zinc/35/82/93/1082358293.db2.gz DGDVXFYSKUVXKW-UKRRQHHQSA-N 1 0 322.405 3.035 20 5 DGBDRO Cc1cc(O[C@@H]2C[NH2+]CCC[C@H]2F)c([N+](=O)[O-])cc1Cl ZINC001217981785 1082981717 /nfs/dbraw/zinc/98/17/17/1082981717.db2.gz QKZBPLYCLIPAAZ-ZWNOBZJWSA-N 1 0 302.733 3.026 20 5 DGBDRO Cc1cc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC001170680625 1083103767 /nfs/dbraw/zinc/10/37/67/1083103767.db2.gz BXKKEGUCBCRGHT-LBPRGKRZSA-N 1 0 323.356 3.171 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1OCCC1CC[NH2+]CC1 ZINC000695254938 1083247352 /nfs/dbraw/zinc/24/73/52/1083247352.db2.gz BCRDATRWFPUENB-UHFFFAOYSA-N 1 0 302.733 3.156 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001167751973 1083626764 /nfs/dbraw/zinc/62/67/64/1083626764.db2.gz AEMAJOOBLXSUNL-AWEZNQCLSA-N 1 0 320.437 3.337 20 5 DGBDRO CC(C)[C@H](C(=O)Nc1cc2cccnc2c2ncccc12)[NH+](C)C ZINC001183362421 1083926060 /nfs/dbraw/zinc/92/60/60/1083926060.db2.gz IJWUXZFTMVSKAF-GOSISDBHSA-N 1 0 322.412 3.308 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC(Cc2ccoc2)C1 ZINC001184197954 1084121184 /nfs/dbraw/zinc/12/11/84/1084121184.db2.gz TZVHZMPWCPOKRX-UHFFFAOYSA-N 1 0 300.358 3.479 20 5 DGBDRO C[NH+]1CC2(CN(C(=O)c3cccc4cc5ccccc5cc43)C2)C1 ZINC001269270104 1085255362 /nfs/dbraw/zinc/25/53/62/1085255362.db2.gz KQGPVNUBPRPQDQ-UHFFFAOYSA-N 1 0 316.404 3.381 20 5 DGBDRO Cc1cccc(-n2cc(CC[NH3+])c3cc(O)ccc32)c1[N+](=O)[O-] ZINC001167982628 1085936648 /nfs/dbraw/zinc/93/66/48/1085936648.db2.gz IWXSNYYCYKDBFN-UHFFFAOYSA-N 1 0 311.341 3.054 20 5 DGBDRO [NH3+]Cc1cnn(-c2nc3c(ccc4ccccc43)nc2Cl)c1 ZINC001168258082 1087076899 /nfs/dbraw/zinc/07/68/99/1087076899.db2.gz GRSHMTYBUVLNOI-UHFFFAOYSA-N 1 0 309.760 3.081 20 5 DGBDRO C[C@@H](CCNc1cc(Br)ccc1[N+](=O)[O-])[NH+](C)C ZINC000697877409 1087354397 /nfs/dbraw/zinc/35/43/97/1087354397.db2.gz IGLIIMGXOQTRLS-VIFPVBQESA-N 1 0 316.199 3.109 20 5 DGBDRO CC1(C)C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C[C@](C)(C[NH3+])C1 ZINC001158264395 1087748776 /nfs/dbraw/zinc/74/87/76/1087748776.db2.gz BITWBVMLIQFSSU-BMIGLBTASA-N 1 0 310.373 3.085 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001158485140 1087858562 /nfs/dbraw/zinc/85/85/62/1087858562.db2.gz ICQPGTJHJKUFGQ-UHFFFAOYSA-N 1 0 318.421 3.141 20 5 DGBDRO Cc1cnc(N(C2CCCC2)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001158485850 1087861538 /nfs/dbraw/zinc/86/15/38/1087861538.db2.gz WZKXCCIBHHRKSI-UHFFFAOYSA-N 1 0 318.421 3.141 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ncc(F)cc1[N+](=O)[O-] ZINC001158728571 1087995955 /nfs/dbraw/zinc/99/59/55/1087995955.db2.gz CLZUUIZHEJNLPO-CYBMUJFWSA-N 1 0 316.336 3.369 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001158756729 1088012508 /nfs/dbraw/zinc/01/25/08/1088012508.db2.gz DXCNOCIVBAJNKR-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO Nc1ccc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC001159598181 1088411231 /nfs/dbraw/zinc/41/12/31/1088411231.db2.gz JCRNLHCKICNTBX-UHFFFAOYSA-N 1 0 312.373 3.388 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2ccc(OC3CC[NH2+]CC3)cc2)c1 ZINC001159621794 1088423288 /nfs/dbraw/zinc/42/32/88/1088423288.db2.gz CLCVOSFLKBAHOO-UHFFFAOYSA-N 1 0 313.357 3.469 20 5 DGBDRO COc1ccc(Nc2ccc3c(c2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC001159678738 1088442950 /nfs/dbraw/zinc/44/29/50/1088442950.db2.gz DPMHQAJTJNOLBY-UHFFFAOYSA-N 1 0 313.357 3.035 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2ccccc2OC2CC[NH2+]CC2)c1 ZINC001159806081 1088496583 /nfs/dbraw/zinc/49/65/83/1088496583.db2.gz WHKZUSDKOSQNEJ-UHFFFAOYSA-N 1 0 313.357 3.469 20 5 DGBDRO Cc1ccc(Nc2cccc(N3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC001159856068 1088519542 /nfs/dbraw/zinc/51/95/42/1088519542.db2.gz KYBCZMQQQGEPLF-UHFFFAOYSA-N 1 0 312.373 3.056 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)c1 ZINC001159919948 1088548273 /nfs/dbraw/zinc/54/82/73/1088548273.db2.gz SKFZBNWOWSYJNL-AWEZNQCLSA-N 1 0 317.320 3.218 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)c1 ZINC001159949818 1088567190 /nfs/dbraw/zinc/56/71/90/1088567190.db2.gz SGIDRNIMIHSKLR-KRWDZBQOSA-N 1 0 313.357 3.469 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncc(C)cc3[N+](=O)[O-])c2c1 ZINC001160004263 1088594413 /nfs/dbraw/zinc/59/44/13/1088594413.db2.gz MWEMBCWPCDNHID-ZDUSSCGKSA-N 1 0 324.384 3.440 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2cccc(O[C@@H]3CCC[NH2+]C3)c2)cc1 ZINC001160210473 1088699527 /nfs/dbraw/zinc/69/95/27/1088699527.db2.gz BKRIZVWOXXBXJH-QGZVFWFLSA-N 1 0 313.357 3.469 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2cccc(O[C@H]3CCC[NH2+]C3)c2)c1 ZINC001160218884 1088706743 /nfs/dbraw/zinc/70/67/43/1088706743.db2.gz GICZJUZOXRFHRP-KRWDZBQOSA-N 1 0 313.357 3.469 20 5 DGBDRO Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)nc2ccc([N+](=O)[O-])cc12 ZINC001154974605 1088863052 /nfs/dbraw/zinc/86/30/52/1088863052.db2.gz FFZZVLFGDMQGJO-NWDGAFQWSA-N 1 0 300.362 3.133 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001155024890 1088901670 /nfs/dbraw/zinc/90/16/70/1088901670.db2.gz JYDZTVWWWABQEB-QWHCGFSZSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001155026956 1088905316 /nfs/dbraw/zinc/90/53/16/1088905316.db2.gz XOJWOAYRXGMQQJ-TZMCWYRMSA-N 1 0 314.389 3.191 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001155115942 1088956407 /nfs/dbraw/zinc/95/64/07/1088956407.db2.gz DFWVKPTVBLGPIX-INIZCTEOSA-N 1 0 318.352 3.037 20 5 DGBDRO C[C@@H]1CN(C(=O)c2c3ccccc3cc3ccccc32)CC[NH2+]1 ZINC001161026770 1089084113 /nfs/dbraw/zinc/08/41/13/1089084113.db2.gz ZFXIHBYBZMLUEE-CQSZACIVSA-N 1 0 304.393 3.427 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(N[C@H]3CC[N@@H+](C4CCC4)C3)nc21 ZINC001161176720 1089140386 /nfs/dbraw/zinc/14/03/86/1089140386.db2.gz BXOIWEHPIGHCDW-ZDUSSCGKSA-N 1 0 312.373 3.182 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(N[C@H]3C[NH+]4CCC3CC4)nc12 ZINC001155662620 1089203881 /nfs/dbraw/zinc/20/38/81/1089203881.db2.gz LKXSRNJKPJBLRA-INIZCTEOSA-N 1 0 304.397 3.289 20 5 DGBDRO C[C@H](C[NH+](C)C)Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001155924109 1089303226 /nfs/dbraw/zinc/30/32/26/1089303226.db2.gz RGWLDVWLFBZEAH-SECBINFHSA-N 1 0 308.769 3.158 20 5 DGBDRO Cc1cnc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001161677728 1089341136 /nfs/dbraw/zinc/34/11/36/1089341136.db2.gz PIZYNWZAMBTYDI-HDJSIYSDSA-N 1 0 320.437 3.421 20 5 DGBDRO Cc1cc(N[C@]2(C)CCC[N@@H+](C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001162341894 1089683095 /nfs/dbraw/zinc/68/30/95/1089683095.db2.gz QAGABOCPAPGZJO-QGZVFWFLSA-N 1 0 314.389 3.348 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001162402539 1089717816 /nfs/dbraw/zinc/71/78/16/1089717816.db2.gz TVDLFXWPBVYFRF-IUCAKERBSA-N 1 0 319.283 3.175 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001162456824 1089741180 /nfs/dbraw/zinc/74/11/80/1089741180.db2.gz ZBNKJXMHBRBBCD-TZMCWYRMSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001162762176 1089933316 /nfs/dbraw/zinc/93/33/16/1089933316.db2.gz CILFTWJMTNLMJN-QMMMGPOBSA-N 1 0 317.736 3.002 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(NC3CC4(C3)CCC[NH2+]C4)nc21 ZINC001162982027 1090045240 /nfs/dbraw/zinc/04/52/40/1090045240.db2.gz ZPVGXLLYNZTVAO-UHFFFAOYSA-N 1 0 312.373 3.087 20 5 DGBDRO CCN(CCC[NH+]1CCCC1)c1cc(C)c([N+](=O)[O-])cc1F ZINC001163076210 1090071863 /nfs/dbraw/zinc/07/18/63/1090071863.db2.gz KWQYNBSLKOICLG-UHFFFAOYSA-N 1 0 309.385 3.355 20 5 DGBDRO CC(C)N(c1nccc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH3+] ZINC001163188161 1090105682 /nfs/dbraw/zinc/10/56/82/1090105682.db2.gz PREJNFZIUCKJOU-UHFFFAOYSA-N 1 0 302.378 3.095 20 5 DGBDRO O=[N+]([O-])c1c(F)cc(F)cc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163215165 1090118064 /nfs/dbraw/zinc/11/80/64/1090118064.db2.gz GBCLZULHXUOIHA-HIFRSBDPSA-N 1 0 319.311 3.388 20 5 DGBDRO O=[N+]([O-])c1ccnc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC001163315180 1090148641 /nfs/dbraw/zinc/14/86/41/1090148641.db2.gz LACPCBJXFGWBSN-AWEZNQCLSA-N 1 0 316.405 3.222 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@H](C)C1 ZINC001163364582 1090165765 /nfs/dbraw/zinc/16/57/65/1090165765.db2.gz DRMGWNZMFIAAPU-DGCLKSJQSA-N 1 0 317.393 3.002 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163392659 1090172933 /nfs/dbraw/zinc/17/29/33/1090172933.db2.gz ACCDOAAXCRFXTN-LBPRGKRZSA-N 1 0 315.295 3.120 20 5 DGBDRO CC(C)N(c1ccc2ccc3cccnc3c2n1)[C@H]1CC[NH2+]C1 ZINC001158020758 1090174218 /nfs/dbraw/zinc/17/42/18/1090174218.db2.gz BWWKKXQTWNSMIP-INIZCTEOSA-N 1 0 306.413 3.360 20 5 DGBDRO C[C@H](C[NH+](C)C)Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001163772379 1090255211 /nfs/dbraw/zinc/25/52/11/1090255211.db2.gz LLZUXGAIAHQPPT-GFCCVEGCSA-N 1 0 300.362 3.019 20 5 DGBDRO CC[C@@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001163921031 1090286604 /nfs/dbraw/zinc/28/66/04/1090286604.db2.gz XMNZSLDSADYLBD-GXSJLCMTSA-N 1 0 317.311 3.190 20 5 DGBDRO Cc1cc(N2C[C@H](C)CC[C@@H]2C[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001164070688 1090334127 /nfs/dbraw/zinc/33/41/27/1090334127.db2.gz OYBKZTSEXCEEGU-BXUZGUMPSA-N 1 0 314.389 3.015 20 5 DGBDRO CC(C)N(CCC[NH3+])c1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001164123129 1090348595 /nfs/dbraw/zinc/34/85/95/1090348595.db2.gz VXDXRTSVQJNXMY-UHFFFAOYSA-N 1 0 314.389 3.220 20 5 DGBDRO C[C@]1(C[NH3+])CCCN(c2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001164247722 1090385504 /nfs/dbraw/zinc/38/55/04/1090385504.db2.gz NGESEJHYAYGZHP-KRWDZBQOSA-N 1 0 314.389 3.098 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(N3CC[C@@]4(C3)CCC[NH2+]C4)nc12 ZINC001165235952 1090485521 /nfs/dbraw/zinc/48/55/21/1090485521.db2.gz AXJRPDWOYVWNBM-FQEVSTJZSA-N 1 0 318.424 3.363 20 5 DGBDRO COc1cc(C)c([N+](=O)[O-])cc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165277817 1090494902 /nfs/dbraw/zinc/49/49/02/1090494902.db2.gz AINHSBOIUNZQPU-ZDUSSCGKSA-N 1 0 307.394 3.056 20 5 DGBDRO [NH3+]CC[C@H]1CN(c2ccc3nc[nH]c3c2[N+](=O)[O-])c2ccccc21 ZINC001168548373 1090533145 /nfs/dbraw/zinc/53/31/45/1090533145.db2.gz MBAPDPMVQQGVGA-NSHDSACASA-N 1 0 323.356 3.055 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001168596480 1090596735 /nfs/dbraw/zinc/59/67/35/1090596735.db2.gz KOISUZFMBDYNER-GJZGRUSLSA-N 1 0 318.421 3.153 20 5 DGBDRO Cc1ncc([N+](=O)[O-])c(-n2c([C@H]3CCC[NH2+]3)cc3ccccc32)n1 ZINC001166650183 1090635613 /nfs/dbraw/zinc/63/56/13/1090635613.db2.gz BYLRAEOJWKNQRE-CYBMUJFWSA-N 1 0 323.356 3.062 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001230039320 1091585483 /nfs/dbraw/zinc/58/54/83/1091585483.db2.gz SPLNBIBHXXNEJO-QMMMGPOBSA-N 1 0 308.185 3.375 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CN(CCSc1ccncc1)CC2 ZINC001119760303 1091616965 /nfs/dbraw/zinc/61/69/65/1091616965.db2.gz XCQRLSHBSOJIHN-UHFFFAOYSA-N 1 0 315.398 3.140 20 5 DGBDRO C[C@H](C[NH2+]Cc1ccc2nonc2c1)c1ccccc1[N+](=O)[O-] ZINC001207689258 1092071164 /nfs/dbraw/zinc/07/11/64/1092071164.db2.gz RUJHIKOMHUYUJW-LLVKDONJSA-N 1 0 312.329 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)cc1Cl ZINC001207735305 1092084605 /nfs/dbraw/zinc/08/46/05/1092084605.db2.gz AVOHTGAPYPJMCV-SWLSCSKDSA-N 1 0 322.792 3.297 20 5 DGBDRO Cc1ccc2c(CC[NH3+])cn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)c2c1 ZINC001168976018 1092457415 /nfs/dbraw/zinc/45/74/15/1092457415.db2.gz YGWCNLPMXNPEKY-DZGCQCFKSA-N 1 0 301.390 3.069 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC001168978561 1092458577 /nfs/dbraw/zinc/45/85/77/1092458577.db2.gz SLSXJZBAGQVKGH-BDAKNGLRSA-N 1 0 319.224 3.046 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)c(F)cc2Cl)C1 ZINC001168978629 1092458659 /nfs/dbraw/zinc/45/86/59/1092458659.db2.gz TVELPYONIRPYLA-PSASIEDQSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccnc(Cl)c2)C2CC2)C1 ZINC001168984448 1092462936 /nfs/dbraw/zinc/46/29/36/1092462936.db2.gz OANKMJPKDKVBDJ-WDBKCZKBSA-N 1 0 309.797 3.221 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC001168984995 1092462944 /nfs/dbraw/zinc/46/29/44/1092462944.db2.gz RNRMXULVZQMUAF-GXTWGEPZSA-N 1 0 317.414 3.345 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC001168955761 1092462974 /nfs/dbraw/zinc/46/29/74/1092462974.db2.gz CBHXEOGZWPXIHZ-YPMHNXCESA-N 1 0 302.296 3.240 20 5 DGBDRO CC(C)(C[NH3+])c1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168984787 1092463105 /nfs/dbraw/zinc/46/31/05/1092463105.db2.gz AGQGGCPGVYGVOW-ZIAGYGMSSA-N 1 0 315.417 3.496 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC001168960005 1092464134 /nfs/dbraw/zinc/46/41/34/1092464134.db2.gz YVNGNLTULQQTKV-SCZZXKLOSA-N 1 0 319.224 3.046 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(N3CCCCC3)c2)C1 ZINC001168965999 1092468933 /nfs/dbraw/zinc/46/89/33/1092468933.db2.gz FOHPXWABVQPDRO-IRXDYDNUSA-N 1 0 317.433 3.212 20 5 DGBDRO CC(C)(C)Oc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168992336 1092477153 /nfs/dbraw/zinc/47/71/53/1092477153.db2.gz JLFWKUSGIFGOKE-HUUCEWRRSA-N 1 0 306.406 3.399 20 5 DGBDRO CC(C)(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ccc(F)cc1 ZINC001168998505 1092478999 /nfs/dbraw/zinc/47/89/99/1092478999.db2.gz NUGUCKQFYWESFI-HOCLYGCPSA-N 1 0 308.397 3.429 20 5 DGBDRO COc1ccc(CC(C)(C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168997291 1092479573 /nfs/dbraw/zinc/47/95/73/1092479573.db2.gz YNDUTJNWYBEPFI-GJZGRUSLSA-N 1 0 306.406 3.051 20 5 DGBDRO O=C(c1ccccc1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007294 1092486097 /nfs/dbraw/zinc/48/60/97/1092486097.db2.gz MKPZQMLMEWBZFY-RHSMWYFYSA-N 1 0 316.401 3.027 20 5 DGBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986704 1092489702 /nfs/dbraw/zinc/48/97/02/1092489702.db2.gz YPYYKIPNVWBFHD-KCQAQPDRSA-N 1 0 314.389 3.188 20 5 DGBDRO COc1cccc(CC(C)(C)C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168990032 1092491969 /nfs/dbraw/zinc/49/19/69/1092491969.db2.gz AWKAWDLLHNOMMU-JKSUJKDBSA-N 1 0 320.433 3.299 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3ccccc3F)CC2)C1 ZINC001169029065 1092493537 /nfs/dbraw/zinc/49/35/37/1092493537.db2.gz UFBCTQPHXQSTRJ-ZFWWWQNUSA-N 1 0 306.381 3.451 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccc(O)cc3)CC2)C1 ZINC001169042462 1092500469 /nfs/dbraw/zinc/50/04/69/1092500469.db2.gz DPBBXCWQBKPJIC-CZUORRHYSA-N 1 0 304.390 3.017 20 5 DGBDRO Cc1ccc(OC2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169024376 1092506233 /nfs/dbraw/zinc/50/62/33/1092506233.db2.gz GVELALXCLANCAA-HZPDHXFCSA-N 1 0 318.417 3.284 20 5 DGBDRO CC[N@H+](CCc1ccc(OC)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046898 1092506967 /nfs/dbraw/zinc/50/69/67/1092506967.db2.gz OGAZVSKKDIDTAD-JKSUJKDBSA-N 1 0 306.406 3.005 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2ccc(N3CCCC3)nc2)c1F ZINC001210382519 1093148385 /nfs/dbraw/zinc/14/83/85/1093148385.db2.gz ZEHPZCXVRUQWHK-UHFFFAOYSA-N 1 0 302.309 3.473 20 5 DGBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001120558283 1094455412 /nfs/dbraw/zinc/45/54/12/1094455412.db2.gz DHGDIUWOCBWSTD-IRXDYDNUSA-N 1 0 315.373 3.010 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@H]2CCCC[NH2+]C2)c2ccccc21 ZINC001217770962 1094493225 /nfs/dbraw/zinc/49/32/25/1094493225.db2.gz YUJKGDVYRCUPAQ-AWEZNQCLSA-N 1 0 300.358 3.407 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217945734 1094524658 /nfs/dbraw/zinc/52/46/58/1094524658.db2.gz MMCYPBDTQMSJGW-MWLCHTKSSA-N 1 0 323.151 3.371 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217947369 1094525482 /nfs/dbraw/zinc/52/54/82/1094525482.db2.gz RBQBJJKAGURVQC-GXSJLCMTSA-N 1 0 302.733 3.026 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C[C@@H]2F)ccc1C(F)(F)F ZINC001217950145 1094526422 /nfs/dbraw/zinc/52/64/22/1094526422.db2.gz XYFUTQLCDKBGTE-JQWIXIFHSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217974212 1094536950 /nfs/dbraw/zinc/53/69/50/1094536950.db2.gz DKEBXIJZNKQZBM-BXKDBHETSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC[C@H]2F)c2ccccc21 ZINC001217977900 1094538476 /nfs/dbraw/zinc/53/84/76/1094538476.db2.gz ORPYTOCCCJINJE-CJNGLKHVSA-N 1 0 304.321 3.217 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217978839 1094539692 /nfs/dbraw/zinc/53/96/92/1094539692.db2.gz RHSWJVBZMCQWPT-KOLCDFICSA-N 1 0 302.733 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217980465 1094540067 /nfs/dbraw/zinc/54/00/67/1094540067.db2.gz YVBXKWODVWXBBA-DZGCQCFKSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1c(O[C@@H]2C[NH2+]CCC[C@@H]2F)ccc2ccccc21 ZINC001217982086 1094541893 /nfs/dbraw/zinc/54/18/93/1094541893.db2.gz RTBDJTDUGGINDO-DZGCQCFKSA-N 1 0 304.321 3.217 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001217994300 1094548555 /nfs/dbraw/zinc/54/85/55/1094548555.db2.gz ZAKSINWEAMVRCH-TVQRCGJNSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]CC2)c(Cl)c1Cl ZINC001217996445 1094549941 /nfs/dbraw/zinc/54/99/41/1094549941.db2.gz HXMJFBXLEDPAHM-QMMMGPOBSA-N 1 0 305.161 3.423 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[NH2+]CC[C@H]1F ZINC001218013893 1094560006 /nfs/dbraw/zinc/56/00/06/1094560006.db2.gz DFWCUPUJPPRYRV-KOLCDFICSA-N 1 0 302.733 3.026 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[NH2+]CC[C@H]1F ZINC001218013896 1094560088 /nfs/dbraw/zinc/56/00/88/1094560088.db2.gz DFWCUPUJPPRYRV-MWLCHTKSSA-N 1 0 302.733 3.026 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CC[NH2+]CC[C@@H]2F)cc1Cl ZINC001218015743 1094561009 /nfs/dbraw/zinc/56/10/09/1094561009.db2.gz MTGSAKDSMZXLRW-ONGXEEELSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001218024514 1094565042 /nfs/dbraw/zinc/56/50/42/1094565042.db2.gz AVPFFJFSPHJHEI-BXKDBHETSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3CC[NH2+]C[C@H]3F)cc2)cc1 ZINC001218064562 1094582190 /nfs/dbraw/zinc/58/21/90/1094582190.db2.gz MOFBVWHJYOTXNF-SJORKVTESA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c(Cl)cc1F ZINC001218092276 1094596955 /nfs/dbraw/zinc/59/69/55/1094596955.db2.gz QTZAISATCCXLDA-KGLIPLIRSA-N 1 0 314.744 3.298 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(O[C@H]3CCC[C@@]34CC[NH2+]C4)sc2c1 ZINC001218094762 1094600321 /nfs/dbraw/zinc/60/03/21/1094600321.db2.gz NNWCYECRFRNOEQ-ZFWWWQNUSA-N 1 0 319.386 3.116 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218144762 1094631513 /nfs/dbraw/zinc/63/15/13/1094631513.db2.gz RDZJNZOJXZSFCY-NTZNESFSSA-N 1 0 310.781 3.324 20 5 DGBDRO O=c1oc2cc(O[C@@H]3CCC34C[NH2+]C4)ccc2c2ccccc21 ZINC001218238545 1094673002 /nfs/dbraw/zinc/67/30/02/1094673002.db2.gz BHUVNTNXNSAZJK-QGZVFWFLSA-N 1 0 307.349 3.077 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3C[NH2+]CC[C@H]3F)cc2)cc1 ZINC001218318899 1094713793 /nfs/dbraw/zinc/71/37/93/1094713793.db2.gz HNBWJAWOQYTENL-SJORKVTESA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3C[NH2+]CC[C@H]3F)c2)c1 ZINC001218321931 1094715860 /nfs/dbraw/zinc/71/58/60/1094715860.db2.gz DPDXYMHKNXEGQU-SJORKVTESA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)cc2)cc1 ZINC001218325778 1094717498 /nfs/dbraw/zinc/71/74/98/1094717498.db2.gz MYDATVVVCDFSKH-ZTFGCOKTSA-N 1 0 310.353 3.249 20 5 DGBDRO Cn1cc(C[NH2+][C@H](c2cccc(F)c2)C(C)(C)C)c([N+](=O)[O-])n1 ZINC001336776837 1094735461 /nfs/dbraw/zinc/73/54/61/1094735461.db2.gz VZPRWXYOHCEYHD-CQSZACIVSA-N 1 0 320.368 3.344 20 5 DGBDRO Cc1ccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001336835008 1094753075 /nfs/dbraw/zinc/75/30/75/1094753075.db2.gz YLJOTKHPBBIBGO-RCCFBDPRSA-N 1 0 312.369 3.082 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[NH2+]CCC23CC3)cc1Cl ZINC001218406759 1094756245 /nfs/dbraw/zinc/75/62/45/1094756245.db2.gz WHXFLXZOSHXQSU-GFCCVEGCSA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC23CC3)c(Cl)c1Cl ZINC001218407477 1094758097 /nfs/dbraw/zinc/75/80/97/1094758097.db2.gz VYNVGXLKSZNJTO-JTQLQIEISA-N 1 0 317.172 3.423 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001218421325 1094766031 /nfs/dbraw/zinc/76/60/31/1094766031.db2.gz HFYXHZZKCOWZCU-WRWORJQWSA-N 1 0 305.161 3.278 20 5 DGBDRO FC1(F)CC[NH2+]C[C@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001218447710 1094780168 /nfs/dbraw/zinc/78/01/68/1094780168.db2.gz LDYNQPAAPLEICM-MRXNPFEDSA-N 1 0 315.323 3.159 20 5 DGBDRO O=[N+]([O-])c1c(O[C@H]2C[NH2+]CCC2(F)F)ccc2ccccc21 ZINC001218452912 1094784237 /nfs/dbraw/zinc/78/42/37/1094784237.db2.gz GDRNLHIZQXTOFY-ZDUSSCGKSA-N 1 0 308.284 3.124 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218475085 1094799012 /nfs/dbraw/zinc/79/90/12/1094799012.db2.gz XWJKHZGAIYQICL-YVZVNANGSA-N 1 0 317.172 3.278 20 5 DGBDRO C[NH+](C)C[C@H]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001337322761 1094934259 /nfs/dbraw/zinc/93/42/59/1094934259.db2.gz LKHCKNYNMQWBFM-SNVBAGLBSA-N 1 0 317.311 3.002 20 5 DGBDRO Cc1cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)ncc1[N+](=O)[O-] ZINC001171098214 1095356572 /nfs/dbraw/zinc/35/65/72/1095356572.db2.gz YTLJXWCNZTYRNC-GFCCVEGCSA-N 1 0 322.368 3.058 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001115907967 1095417025 /nfs/dbraw/zinc/41/70/25/1095417025.db2.gz RPOALCSEDBEYJU-CABCVRRESA-N 1 0 304.390 3.486 20 5 DGBDRO O=[N+]([O-])c1ccccc1CO[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001222761428 1095745999 /nfs/dbraw/zinc/74/59/99/1095745999.db2.gz QXCOQYHSXXCZEM-KRWDZBQOSA-N 1 0 323.352 3.430 20 5 DGBDRO C[C@@H](O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC001223427113 1095967012 /nfs/dbraw/zinc/96/70/12/1095967012.db2.gz GVIOVDCWGLRWSY-UTXMOHQDSA-N 1 0 304.390 3.403 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001118489466 1096020915 /nfs/dbraw/zinc/02/09/15/1096020915.db2.gz MIMKRIQDCDZLKK-NGERZBJRSA-N 1 0 312.316 3.298 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccccc3CF)CC2)n1 ZINC001341393921 1096168669 /nfs/dbraw/zinc/16/86/69/1096168669.db2.gz TWTIKFHNYPNETD-UHFFFAOYSA-N 1 0 318.352 3.098 20 5 DGBDRO O=[N+]([O-])c1cc(NC[C@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC001171335584 1096411038 /nfs/dbraw/zinc/41/10/38/1096411038.db2.gz YTXNTGJLWGXSES-SNVBAGLBSA-N 1 0 303.284 3.168 20 5 DGBDRO C[C@@H](Oc1ccc(CC(=[NH2+])NO)cc1)c1cccc([N+](=O)[O-])c1 ZINC001225547522 1096465110 /nfs/dbraw/zinc/46/51/10/1096465110.db2.gz YLHUJWNVGVMUIS-LLVKDONJSA-N 1 0 315.329 3.233 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)cc(F)cc1Br ZINC001225850408 1096545608 /nfs/dbraw/zinc/54/56/08/1096545608.db2.gz IPXRFFCCGBZSAW-MRVPVSSYSA-N 1 0 309.174 3.201 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001225905176 1096560182 /nfs/dbraw/zinc/56/01/82/1096560182.db2.gz OCKDLDIYAXTLLT-OAHLLOKOSA-N 1 0 316.332 3.387 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2c(F)c(F)ccc2[N+](=O)[O-])CC1 ZINC001225962497 1096574690 /nfs/dbraw/zinc/57/46/90/1096574690.db2.gz JDVLJYMVRLUPMR-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001226132498 1096621269 /nfs/dbraw/zinc/62/12/69/1096621269.db2.gz ZTQVPUMMMSJNLK-UHFFFAOYSA-N 1 0 313.785 3.285 20 5 DGBDRO CC[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001226203215 1096636477 /nfs/dbraw/zinc/63/64/77/1096636477.db2.gz FSXDWVTXFBJBRL-MRVPVSSYSA-N 1 0 305.161 3.375 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226311770 1096659448 /nfs/dbraw/zinc/65/94/48/1096659448.db2.gz WEEWKOLILBHDIK-NSHDSACASA-N 1 0 318.295 3.475 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001226313467 1096659564 /nfs/dbraw/zinc/65/95/64/1096659564.db2.gz RBYZIWICEAGVGD-VIFPVBQESA-N 1 0 307.292 3.087 20 5 DGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(O)cccc1[N+](=O)[O-])C2 ZINC001226334483 1096663840 /nfs/dbraw/zinc/66/38/40/1096663840.db2.gz VOTILNBLVSPFCU-ITGUQSILSA-N 1 0 306.362 3.083 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(OC2CC[NH+](C(C)(C)C)CC2)c1 ZINC001226446039 1096691603 /nfs/dbraw/zinc/69/16/03/1096691603.db2.gz LCNDSISMDUPUCK-UHFFFAOYSA-N 1 0 308.378 3.245 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226747772 1096766964 /nfs/dbraw/zinc/76/69/64/1096766964.db2.gz DPMAIKQGROWEEE-LLVKDONJSA-N 1 0 300.305 3.125 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226965422 1096830590 /nfs/dbraw/zinc/83/05/90/1096830590.db2.gz YUSVFIGCTPDRBZ-NSHDSACASA-N 1 0 318.295 3.475 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226968314 1096831344 /nfs/dbraw/zinc/83/13/44/1096831344.db2.gz GIDPGTYSKDIKQW-LLVKDONJSA-N 1 0 318.295 3.477 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227159027 1096882843 /nfs/dbraw/zinc/88/28/43/1096882843.db2.gz ZPYZDBBINIZZFJ-VIFPVBQESA-N 1 0 302.733 3.250 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC001171653645 1096939962 /nfs/dbraw/zinc/93/99/62/1096939962.db2.gz LVFNRDYQATUXMD-CJNGLKHVSA-N 1 0 305.422 3.318 20 5 DGBDRO C[NH+](C)C1CCC(Oc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001228139364 1097060666 /nfs/dbraw/zinc/06/06/66/1097060666.db2.gz REIMGBREYDQALK-UHFFFAOYSA-N 1 0 315.373 3.395 20 5 DGBDRO CC(=O)Nc1cccc2ccc(O[C@H](C)C[N+](C)(C)C)cc21 ZINC001228183484 1097069143 /nfs/dbraw/zinc/06/91/43/1097069143.db2.gz XELPTZXPHUXVHC-CYBMUJFWSA-O 1 0 301.410 3.272 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228929974 1097219481 /nfs/dbraw/zinc/21/94/81/1097219481.db2.gz ILBPLZUYJDUANE-JTQLQIEISA-N 1 0 318.295 3.475 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229009969 1097236341 /nfs/dbraw/zinc/23/63/41/1097236341.db2.gz XZGPYPDGSGCBQX-HNNXBMFYSA-N 1 0 315.373 3.395 20 5 DGBDRO C[C@@]1(O)CC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172896990 1097266156 /nfs/dbraw/zinc/26/61/56/1097266156.db2.gz VRWBNQXFGZZYLS-JFIYKMOQSA-N 1 0 318.417 3.125 20 5 DGBDRO CC(C)(CO)CCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900493 1097268308 /nfs/dbraw/zinc/26/83/08/1097268308.db2.gz UMXYJUJJBHRVPC-INIZCTEOSA-N 1 0 320.433 3.231 20 5 DGBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903412 1097269278 /nfs/dbraw/zinc/26/92/78/1097269278.db2.gz HGLNKVUNRRWONW-OAGGEKHMSA-N 1 0 314.385 3.038 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+](C)CC1 ZINC001229178554 1097272051 /nfs/dbraw/zinc/27/20/51/1097272051.db2.gz YBMUGWWEINGJTQ-CYBMUJFWSA-N 1 0 306.362 3.051 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1CC(F)(F)C1)CC2 ZINC001172895222 1097278247 /nfs/dbraw/zinc/27/82/47/1097278247.db2.gz BBGBFZRONHRDBM-CQSZACIVSA-N 1 0 310.344 3.477 20 5 DGBDRO C[N@H+](C[C@H]1CCCCO1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914143 1097279420 /nfs/dbraw/zinc/27/94/20/1097279420.db2.gz CZGYDBZMOKUIHY-SJLPKXTDSA-N 1 0 318.417 3.343 20 5 DGBDRO CC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919694 1097280750 /nfs/dbraw/zinc/28/07/50/1097280750.db2.gz HGASYRHFVVPJFW-AEFFLSMTSA-N 1 0 316.401 3.286 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC(c3cccnc3)C1)CC2 ZINC001172920981 1097280861 /nfs/dbraw/zinc/28/08/61/1097280861.db2.gz NBPNVTKYIRMHJZ-SFHVURJKSA-N 1 0 323.396 3.337 20 5 DGBDRO Cc1ccc(NC(=O)C(C)(C)C)cc1O[C@H](C)C[N+](C)(C)C ZINC001229504022 1097335005 /nfs/dbraw/zinc/33/50/05/1097335005.db2.gz DROUZEMNTCKWNH-CQSZACIVSA-O 1 0 307.458 3.453 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2ccco2)c1F ZINC001173175354 1097355809 /nfs/dbraw/zinc/35/58/09/1097355809.db2.gz AQLQAVAXVZCAMI-NSHDSACASA-N 1 0 322.336 3.099 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)c1F ZINC001173189333 1097358042 /nfs/dbraw/zinc/35/80/42/1097358042.db2.gz OKNONFWKQXTBQV-CIQGVGRVSA-N 1 0 322.380 3.452 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC(C)(C)C2)c1F ZINC001173190967 1097358063 /nfs/dbraw/zinc/35/80/63/1097358063.db2.gz YNTRMIHOAAQLMW-NSHDSACASA-N 1 0 310.369 3.405 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2cc(C[NH3+])cnc21 ZINC001173215320 1097366561 /nfs/dbraw/zinc/36/65/61/1097366561.db2.gz UVDXZXDWYFSVQG-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC001173215086 1097366987 /nfs/dbraw/zinc/36/69/87/1097366987.db2.gz RTJFMCJYDNMBHT-CXAGYDPISA-N 1 0 312.369 3.119 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173215701 1097367835 /nfs/dbraw/zinc/36/78/35/1097367835.db2.gz YRXQQRNHDCGUSC-ZDUSSCGKSA-N 1 0 300.358 3.324 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C[NH3+])c2ccccc21 ZINC001173216642 1097368428 /nfs/dbraw/zinc/36/84/28/1097368428.db2.gz DSVZKAFGHQKOSC-DZGCQCFKSA-N 1 0 311.385 3.088 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COc2ccccc2C1 ZINC001173217578 1097368820 /nfs/dbraw/zinc/36/88/20/1097368820.db2.gz WEZCTGRESHDREP-BBRMVZONSA-N 1 0 312.369 3.119 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001173220761 1097371951 /nfs/dbraw/zinc/37/19/51/1097371951.db2.gz CDDZAIVSXSZKMZ-YOEHRIQHSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001173221682 1097372166 /nfs/dbraw/zinc/37/21/66/1097372166.db2.gz LGYRWFYXXRPWFI-RHSMWYFYSA-N 1 0 304.390 3.171 20 5 DGBDRO CCOC(=O)CC(C)(C)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173221987 1097372763 /nfs/dbraw/zinc/37/27/63/1097372763.db2.gz RONIAKFXXPOLBX-CYBMUJFWSA-N 1 0 322.405 3.095 20 5 DGBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222098 1097373256 /nfs/dbraw/zinc/37/32/56/1097373256.db2.gz UADJIEPYFNFULA-KBPBESRZSA-N 1 0 314.385 3.452 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001173225498 1097375313 /nfs/dbraw/zinc/37/53/13/1097375313.db2.gz KDLZRYLCHMEJAV-XOKHGSTOSA-N 1 0 316.401 3.359 20 5 DGBDRO COc1cc(F)ccc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233899 1097378306 /nfs/dbraw/zinc/37/83/06/1097378306.db2.gz LARCAKGVJVZVPN-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCOCC2)CC1 ZINC001173234597 1097378311 /nfs/dbraw/zinc/37/83/11/1097378311.db2.gz SIPZAUJKWUPLOW-HNNXBMFYSA-N 1 0 318.417 3.418 20 5 DGBDRO CCC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001173233837 1097378609 /nfs/dbraw/zinc/37/86/09/1097378609.db2.gz ZOPXPYBAUKNYBF-CQSZACIVSA-N 1 0 306.406 3.417 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])c1cc(F)cc(F)c1 ZINC001173213199 1097381219 /nfs/dbraw/zinc/38/12/19/1097381219.db2.gz GNJMXFZQOUYUCB-JTQLQIEISA-N 1 0 319.311 3.419 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnccc1Cl ZINC001173212280 1097381468 /nfs/dbraw/zinc/38/14/68/1097381468.db2.gz ZAHYJFPIMJDCMQ-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccccc1F ZINC001173213003 1097381758 /nfs/dbraw/zinc/38/17/58/1097381758.db2.gz CBGGHJMSKKWBJD-CYBMUJFWSA-N 1 0 302.349 3.497 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1C[NH3+] ZINC001173214198 1097381883 /nfs/dbraw/zinc/38/18/83/1097381883.db2.gz MZTFMXFCBDPPGX-LLVKDONJSA-N 1 0 303.337 3.236 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C(N)=[NH2+])c1ccccc1F ZINC001173214651 1097382530 /nfs/dbraw/zinc/38/25/30/1097382530.db2.gz DFGSGZBWHRYDEF-NSHDSACASA-N 1 0 316.336 3.065 20 5 DGBDRO CC(C)[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001173238393 1097393957 /nfs/dbraw/zinc/39/39/57/1097393957.db2.gz RDIBEKKGKFRCFL-CQSZACIVSA-N 1 0 306.406 3.415 20 5 DGBDRO C[NH+]1CCC(Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001229833969 1097395725 /nfs/dbraw/zinc/39/57/25/1097395725.db2.gz RXJUTPULSSTQIM-UHFFFAOYSA-N 1 0 304.268 3.087 20 5 DGBDRO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230041747 1097435090 /nfs/dbraw/zinc/43/50/90/1097435090.db2.gz RNWBTDLVYJRJNG-MRVPVSSYSA-N 1 0 305.161 3.375 20 5 DGBDRO CCOCc1ccc(O[C@@H](C)C[N+](C)(C)C)c2ncccc12 ZINC001230963567 1097632653 /nfs/dbraw/zinc/63/26/53/1097632653.db2.gz RUXLAJIVAMCOLA-AWEZNQCLSA-N 1 0 303.426 3.245 20 5 DGBDRO CC(=O)c1c(O[C@H](C)C[N+](C)(C)C)ccc2cc(O)ccc21 ZINC001231020757 1097648717 /nfs/dbraw/zinc/64/87/17/1097648717.db2.gz ABAWRCKPQIMBEW-GFCCVEGCSA-O 1 0 302.394 3.222 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231156050 1097684347 /nfs/dbraw/zinc/68/43/47/1097684347.db2.gz GRZVERRHRWUGSC-ZDUSSCGKSA-N 1 0 301.346 3.005 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1c(O)ccc(Cc2ccccc2)c1O ZINC001231307729 1097717038 /nfs/dbraw/zinc/71/70/38/1097717038.db2.gz CMCHKWCBFPMRIT-CQSZACIVSA-O 1 0 316.421 3.162 20 5 DGBDRO COC[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218275 1097970679 /nfs/dbraw/zinc/97/06/79/1097970679.db2.gz FJDHMONRGATFQT-CQSZACIVSA-N 1 0 307.397 3.251 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCCO1 ZINC001232219118 1097971678 /nfs/dbraw/zinc/97/16/78/1097971678.db2.gz RSHGCDHBKRJNKF-CQSZACIVSA-N 1 0 307.397 3.394 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@]1(C)O ZINC001232218842 1097972176 /nfs/dbraw/zinc/97/21/76/1097972176.db2.gz MJBVIOMKKTYFJW-VBKZILBWSA-N 1 0 321.424 3.376 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)nc12 ZINC001232225029 1097973145 /nfs/dbraw/zinc/97/31/45/1097973145.db2.gz MDZFWXPVXRREIG-AEFFLSMTSA-N 1 0 319.408 3.394 20 5 DGBDRO CN(CC[NH+]1CCCC1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232221775 1097973443 /nfs/dbraw/zinc/97/34/43/1097973443.db2.gz FDWKISODZUWHPN-UHFFFAOYSA-N 1 0 320.440 3.311 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1(C)C ZINC001232221639 1097973612 /nfs/dbraw/zinc/97/36/12/1097973612.db2.gz CDMQDUSSVKMEOA-UHFFFAOYSA-N 1 0 320.440 3.309 20 5 DGBDRO CCOC(=O)CCCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001176028806 1098236746 /nfs/dbraw/zinc/23/67/46/1098236746.db2.gz PQUHKYVFTHGPAJ-CYBMUJFWSA-N 1 0 308.378 3.369 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233754026 1098421899 /nfs/dbraw/zinc/42/18/99/1098421899.db2.gz QIDFPBJIWRFPDI-SNVBAGLBSA-N 1 0 300.305 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(F)(C3CC3)CC2)cc1 ZINC001176755176 1098434203 /nfs/dbraw/zinc/43/42/03/1098434203.db2.gz RQFSSMDVTHTVBM-UHFFFAOYSA-N 1 0 308.353 3.188 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234363818 1098542732 /nfs/dbraw/zinc/54/27/32/1098542732.db2.gz NIVLUETYCWKYHT-OAHLLOKOSA-N 1 0 319.405 3.058 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234363817 1098542999 /nfs/dbraw/zinc/54/29/99/1098542999.db2.gz NIVLUETYCWKYHT-HNNXBMFYSA-N 1 0 319.405 3.058 20 5 DGBDRO CC[N@@H+]1CC[C@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234364618 1098543343 /nfs/dbraw/zinc/54/33/43/1098543343.db2.gz UZZNAMAMVRWRHM-HNNXBMFYSA-N 1 0 319.405 3.058 20 5 DGBDRO Cc1c(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001179266641 1099052138 /nfs/dbraw/zinc/05/21/38/1099052138.db2.gz SWXLGHQVTITEGY-IAGOWNOFSA-N 1 0 304.390 3.341 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCC(C)(C)C1 ZINC001179768044 1099189489 /nfs/dbraw/zinc/18/94/89/1099189489.db2.gz JOHUJVDWHKTREC-UHFFFAOYSA-N 1 0 305.422 3.033 20 5 DGBDRO CCNc1ccc(Nc2cc(OC)c(OC)cc2[N+](=O)[O-])cn1 ZINC001187920391 1099636327 /nfs/dbraw/zinc/63/63/27/1099636327.db2.gz GQJBLHSFBHSNEZ-UHFFFAOYSA-N 1 0 318.333 3.182 20 5 DGBDRO N[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC12COC2 ZINC001237177006 1100016016 /nfs/dbraw/zinc/01/60/16/1100016016.db2.gz VVWKTZVPFHQDOJ-FQEVSTJZSA-N 1 0 318.420 3.153 20 5 DGBDRO CCc1cn(Cc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC001190102671 1100198934 /nfs/dbraw/zinc/19/89/34/1100198934.db2.gz AQZLMZYULBYNKH-UHFFFAOYSA-N 1 0 310.151 3.165 20 5 DGBDRO CC[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC001193603318 1100781553 /nfs/dbraw/zinc/78/15/53/1100781553.db2.gz BLSADXQOHXDQMW-RYUDHWBXSA-N 1 0 316.361 3.265 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCSC[C@H]2C2CCC2)c1 ZINC001195316015 1101121671 /nfs/dbraw/zinc/12/16/71/1101121671.db2.gz WNOWGCJPYYCISL-INIZCTEOSA-N 1 0 322.430 3.191 20 5 DGBDRO Cc1ccc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001196217224 1101268162 /nfs/dbraw/zinc/26/81/62/1101268162.db2.gz IPFNRLYLKYPDIC-KRWDZBQOSA-N 1 0 306.406 3.324 20 5 DGBDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC000160338588 1101572986 /nfs/dbraw/zinc/57/29/86/1101572986.db2.gz RHCYDRLFILAYCO-IBGZPJMESA-N 1 0 304.393 3.443 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001197506141 1101586570 /nfs/dbraw/zinc/58/65/70/1101586570.db2.gz DPXAXHZPVHTRCR-GZBFAFLISA-N 1 0 320.389 3.225 20 5 DGBDRO Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC001201693190 1102708862 /nfs/dbraw/zinc/70/88/62/1102708862.db2.gz KLYYMFMZQBXHNZ-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[NH2+]CC(C)C)n1 ZINC001327003043 1103497927 /nfs/dbraw/zinc/49/79/27/1103497927.db2.gz CJHXRHCQSZSIIC-UHFFFAOYSA-N 1 0 304.350 3.007 20 5 DGBDRO Cc1cncc([N+](=O)[O-])c1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001330727140 1104632735 /nfs/dbraw/zinc/63/27/35/1104632735.db2.gz DYKTVZYGDMQULK-UHFFFAOYSA-N 1 0 318.421 3.143 20 5 DGBDRO C[N@H+]([C@H]1CCCC[C@H]1N)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246921835 1104738004 /nfs/dbraw/zinc/73/80/04/1104738004.db2.gz SLZOSYOCIVVHAZ-NXHRZFHOSA-N 1 0 317.433 3.044 20 5 DGBDRO COc1ccc(Nc2cc[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC001248465610 1105116703 /nfs/dbraw/zinc/11/67/03/1105116703.db2.gz AHLATPUYRSUPGT-UHFFFAOYSA-N 1 0 314.345 3.342 20 5 DGBDRO C[NH+](C)Cc1ccc2[nH]c(Cc3cccc([N+](=O)[O-])c3)nc2c1 ZINC001250594821 1105544253 /nfs/dbraw/zinc/54/42/53/1105544253.db2.gz WSAOHQIWJNANMA-UHFFFAOYSA-N 1 0 310.357 3.124 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC001254184796 1106030333 /nfs/dbraw/zinc/03/03/33/1106030333.db2.gz QYNKFGDBOKIKTE-HUUCEWRRSA-N 1 0 311.813 3.211 20 5 DGBDRO CC1(F)CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254476036 1106077753 /nfs/dbraw/zinc/07/77/53/1106077753.db2.gz JVJDVMQYOZISCC-UHFFFAOYSA-N 1 0 321.396 3.388 20 5 DGBDRO C[C@]1(F)CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254474701 1106078324 /nfs/dbraw/zinc/07/83/24/1106078324.db2.gz TZJWBWBHGUDUBL-KRWDZBQOSA-N 1 0 321.396 3.388 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3C4CCC3CC4)CC2)cc1 ZINC001254478780 1106079020 /nfs/dbraw/zinc/07/90/20/1106079020.db2.gz JFDFCKKHVQHEAP-UHFFFAOYSA-N 1 0 301.390 3.190 20 5 DGBDRO C[N@H+](CCC1CC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254480874 1106079149 /nfs/dbraw/zinc/07/91/49/1106079149.db2.gz NPUOYWZXCPASJG-UHFFFAOYSA-N 1 0 303.406 3.296 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1ncc2c1cccc2C[NH3+] ZINC001254539088 1106098769 /nfs/dbraw/zinc/09/87/69/1106098769.db2.gz FHARNLPDDPKPEQ-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(CC[NH3+])c1ccc(F)cc1 ZINC001254543299 1106099498 /nfs/dbraw/zinc/09/94/98/1106099498.db2.gz DXFSLSWMJAHTOD-CYBMUJFWSA-N 1 0 317.364 3.130 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])c1cccnc1Cl ZINC001254542857 1106099658 /nfs/dbraw/zinc/09/96/58/1106099658.db2.gz OVOKNTJGUNRWEB-SNVBAGLBSA-N 1 0 318.764 3.189 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1CCC(O)CC1 ZINC001254545082 1106100850 /nfs/dbraw/zinc/10/08/50/1106100850.db2.gz AFVUVWGUMLNING-HLIUYOAVSA-N 1 0 306.406 3.057 20 5 DGBDRO CCN(CC[NH+]1CCCCC1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254559574 1106103147 /nfs/dbraw/zinc/10/31/47/1106103147.db2.gz LAQFGAMGRRYWCP-INIZCTEOSA-N 1 0 319.449 3.334 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001254562361 1106104392 /nfs/dbraw/zinc/10/43/92/1106104392.db2.gz KXCDXWXAWKVNBR-GOEBONIOSA-N 1 0 311.385 3.410 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cnc2ccccn21 ZINC001254566976 1106105080 /nfs/dbraw/zinc/10/50/80/1106105080.db2.gz LZWOVTAIBDSJEC-IUODEOHRSA-N 1 0 322.368 3.061 20 5 DGBDRO Cc1cccc2c1[C@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCO2 ZINC001254566804 1106105177 /nfs/dbraw/zinc/10/51/77/1106105177.db2.gz KMWGDMLQNUDIFO-DOTOQJQBSA-N 1 0 324.380 3.484 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(F)cc(F)c1F)C2 ZINC001254571907 1106106059 /nfs/dbraw/zinc/10/60/59/1106106059.db2.gz CYZFEJFIAPLZMF-ZDUSSCGKSA-N 1 0 322.286 3.269 20 5 DGBDRO [NH3+]CC[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc21 ZINC001254574771 1106107014 /nfs/dbraw/zinc/10/70/14/1106107014.db2.gz KYLCFNSILWQRDL-PBHICJAKSA-N 1 0 323.396 3.015 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(F)c1 ZINC001254576266 1106107666 /nfs/dbraw/zinc/10/76/66/1106107666.db2.gz VFLSGOVAVSQBKX-OAHLLOKOSA-N 1 0 300.333 3.299 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(Cc3ccccc3)CC1)C2 ZINC001254583840 1106108280 /nfs/dbraw/zinc/10/82/80/1106108280.db2.gz OHQLUQIYLQXRQU-QGZVFWFLSA-N 1 0 308.381 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)C2 ZINC001254583113 1106108395 /nfs/dbraw/zinc/10/83/95/1106108395.db2.gz XMYFEVNQTKXLON-FUHWJXTLSA-N 1 0 309.369 3.198 20 5 DGBDRO [NH3+]CCc1cc2ccccc2n1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581619 1106108495 /nfs/dbraw/zinc/10/84/95/1106108495.db2.gz OXXLMFQMUZJMSW-SFHVURJKSA-N 1 0 321.380 3.391 20 5 DGBDRO [NH3+]Cc1cccc2ccn([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)c21 ZINC001254583600 1106108608 /nfs/dbraw/zinc/10/86/08/1106108608.db2.gz ZUFBPWVYLRBMHB-KRWDZBQOSA-N 1 0 307.353 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCc3sccc31)C2 ZINC001254588847 1106108922 /nfs/dbraw/zinc/10/89/22/1106108922.db2.gz IZSHMUIEFAOFMP-SWLSCSKDSA-N 1 0 300.383 3.401 20 5 DGBDRO COc1ccccc1C1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587826 1106109063 /nfs/dbraw/zinc/10/90/63/1106109063.db2.gz ZPAHPOMTUWMNTK-OAHLLOKOSA-N 1 0 324.380 3.350 20 5 DGBDRO CC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc2C1 ZINC001254586913 1106109078 /nfs/dbraw/zinc/10/90/78/1106109078.db2.gz TVEQEHQVYQKUBP-KRWDZBQOSA-N 1 0 308.381 3.209 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCc3ccncc31)C2 ZINC001254588399 1106109094 /nfs/dbraw/zinc/10/90/94/1106109094.db2.gz FLIKJUGBRBXIJN-CRAIPNDOSA-N 1 0 309.369 3.124 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC(F)C3)CC1)C2 ZINC001254595388 1106110028 /nfs/dbraw/zinc/11/00/28/1106110028.db2.gz WKEMNVQXDKZIKZ-INIZCTEOSA-N 1 0 304.365 3.276 20 5 DGBDRO COc1ccc(C[N@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254593974 1106110078 /nfs/dbraw/zinc/11/00/78/1106110078.db2.gz OLUKAMBWNNJHMR-KRWDZBQOSA-N 1 0 312.369 3.203 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H]1Cc1ccccn1)C2 ZINC001254597970 1106110937 /nfs/dbraw/zinc/11/09/37/1106110937.db2.gz FMJQAHUIANFBOL-PKOBYXMFSA-N 1 0 323.396 3.164 20 5 DGBDRO C[N@H+](CCc1cccs1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599932 1106110974 /nfs/dbraw/zinc/11/09/74/1106110974.db2.gz MZJZHHYYVCIMKJ-HNNXBMFYSA-N 1 0 302.399 3.298 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(c3cccnc3)CC1)C2 ZINC001254609603 1106112548 /nfs/dbraw/zinc/11/25/48/1106112548.db2.gz YCCSSSNJBAXENF-LJQANCHMSA-N 1 0 323.396 3.337 20 5 DGBDRO Cc1ccc2c(c1)CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254610128 1106112624 /nfs/dbraw/zinc/11/26/24/1106112624.db2.gz IGUQCZRKSOLHJS-LJQANCHMSA-N 1 0 308.381 3.429 20 5 DGBDRO COc1cc(N2CCC([NH2+]CCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256083313 1106367482 /nfs/dbraw/zinc/36/74/82/1106367482.db2.gz RJXAJFXEJVMNND-UHFFFAOYSA-N 1 0 321.421 3.208 20 5 DGBDRO Cc1cc(NC(=O)c2ccc3c[nH+]cn3c2C)ccc1[N+](=O)[O-] ZINC001320032179 1106799651 /nfs/dbraw/zinc/79/96/51/1106799651.db2.gz VKMAPYKDRGUZSA-UHFFFAOYSA-N 1 0 310.313 3.112 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC001262058086 1107599293 /nfs/dbraw/zinc/59/92/93/1107599293.db2.gz NHMLXXBAKGNYTA-CHWSQXEVSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1cc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC001262376769 1107703971 /nfs/dbraw/zinc/70/39/71/1107703971.db2.gz BGQZYCKMVYCKPF-MELADBBJSA-N 1 0 321.396 3.209 20 5 DGBDRO Cc1cc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC001262376770 1107704140 /nfs/dbraw/zinc/70/41/40/1107704140.db2.gz BGQZYCKMVYCKPF-MJBXVCDLSA-N 1 0 321.396 3.209 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001262558399 1107723431 /nfs/dbraw/zinc/72/34/31/1107723431.db2.gz DHNPXRWAXPAYLS-MSOLQXFVSA-N 1 0 312.369 3.214 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001262558400 1107723833 /nfs/dbraw/zinc/72/38/33/1107723833.db2.gz DHNPXRWAXPAYLS-QZTJIDSGSA-N 1 0 312.369 3.214 20 5 DGBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001322835856 1107763619 /nfs/dbraw/zinc/76/36/19/1107763619.db2.gz NDSUQIDYFAEARN-UHFFFAOYSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC001323440810 1107976568 /nfs/dbraw/zinc/97/65/68/1107976568.db2.gz FVKJNRAFPMIBFC-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC001263240456 1107985733 /nfs/dbraw/zinc/98/57/33/1107985733.db2.gz LMRMBBJMWNDRRG-QGZVFWFLSA-N 1 0 319.408 3.116 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc2c[nH+]cn2c1C ZINC001323702179 1108055609 /nfs/dbraw/zinc/05/56/09/1108055609.db2.gz VIJCZQXJELDVDR-UHFFFAOYSA-N 1 0 311.297 3.079 20 5 DGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001318763987 1108187812 /nfs/dbraw/zinc/18/78/12/1108187812.db2.gz DNMKRKNOLNRFGN-TZMCWYRMSA-N 1 0 320.418 3.118 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001324990903 1108551917 /nfs/dbraw/zinc/55/19/17/1108551917.db2.gz UOCHCYBKHQWYFL-KGLIPLIRSA-N 1 0 314.389 3.414 20 5 DGBDRO CC[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001307493085 1111305175 /nfs/dbraw/zinc/30/51/75/1111305175.db2.gz HBJNDKAQKJUVSU-DYVFJYSZSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1C ZINC001307488539 1111305474 /nfs/dbraw/zinc/30/54/74/1111305474.db2.gz CODXKGLXMGMLPB-UWVGGRQHSA-N 1 0 313.195 3.445 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001307854330 1111346564 /nfs/dbraw/zinc/34/65/64/1111346564.db2.gz YXUHGCPCYQWVOQ-KBPBESRZSA-N 1 0 320.389 3.296 20 5 DGBDRO COC(=O)[C@@]1(C)C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC001307996370 1111364847 /nfs/dbraw/zinc/36/48/47/1111364847.db2.gz NLLDXPMIVJEJTI-DCGLDWPTSA-N 1 0 320.389 3.095 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(C)CC1 ZINC001308136801 1111383495 /nfs/dbraw/zinc/38/34/95/1111383495.db2.gz XLEACGFKTILEIQ-WDEREUQCSA-N 1 0 316.361 3.484 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](C)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001308232404 1111402024 /nfs/dbraw/zinc/40/20/24/1111402024.db2.gz RVCFNMXEPIRBGV-CQSZACIVSA-N 1 0 305.422 3.113 20 5 DGBDRO C[C@]1(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCCCO1 ZINC001308644822 1111455237 /nfs/dbraw/zinc/45/52/37/1111455237.db2.gz WJHQKKUWNMIFRS-OAHLLOKOSA-N 1 0 312.797 3.340 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@H]2CCC[C@@H](C)CC2)c1[N+](=O)[O-] ZINC001308690813 1111461610 /nfs/dbraw/zinc/46/16/10/1111461610.db2.gz DTGYYFKRFKKDSM-YPMHNXCESA-N 1 0 308.378 3.367 20 5 DGBDRO CC[N@H+](C)[C@@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001308986801 1111506437 /nfs/dbraw/zinc/50/64/37/1111506437.db2.gz IHHPXRUBUYHZBB-OOXMNIKJSA-N 1 0 303.406 3.024 20 5 DGBDRO Cc1cc(N[C@H](C)CC[S@@](C)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272874681 210264204 /nfs/dbraw/zinc/26/42/04/210264204.db2.gz UDCWKKXQHWVKNS-ZQJOYCHOSA-N 1 0 321.402 3.020 20 5 DGBDRO COC1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000414189923 230706881 /nfs/dbraw/zinc/70/68/81/230706881.db2.gz SHTSDUJVSIJBCO-JCYILVPMSA-N 1 0 318.417 3.463 20 5 DGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000286559572 219053860 /nfs/dbraw/zinc/05/38/60/219053860.db2.gz PAPPDEPXGPMKMN-TXBJDVRTSA-N 1 0 322.792 3.103 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000315597201 231141326 /nfs/dbraw/zinc/14/13/26/231141326.db2.gz HEZPXYUEOZGHTJ-KSYCFECVSA-N 1 0 304.390 3.449 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)CC1 ZINC000063309145 432005181 /nfs/dbraw/zinc/00/51/81/432005181.db2.gz YHUJUZXJOAEXMY-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000419314273 529595092 /nfs/dbraw/zinc/59/50/92/529595092.db2.gz MKRGILRLPOJUAG-OLZOCXBDSA-N 1 0 319.405 3.338 20 5 DGBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000420282166 529612071 /nfs/dbraw/zinc/61/20/71/529612071.db2.gz RYUWJQUZORROMG-HNNXBMFYSA-N 1 0 315.373 3.278 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCCOC2CCOCC2)cc1[N+](=O)[O-] ZINC000090082644 185280819 /nfs/dbraw/zinc/28/08/19/185280819.db2.gz QNUDGOGINBPFQU-AWEZNQCLSA-N 1 0 322.405 3.140 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCCOC2CCOCC2)cccc1[N+](=O)[O-] ZINC000090082763 185281124 /nfs/dbraw/zinc/28/11/24/185281124.db2.gz CXGAHGLIIIDRNR-AWEZNQCLSA-N 1 0 322.405 3.140 20 5 DGBDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090217350 185287037 /nfs/dbraw/zinc/28/70/37/185287037.db2.gz NZEWKUVTMWRUHS-KGLIPLIRSA-N 1 0 321.421 3.201 20 5 DGBDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090519568 185300410 /nfs/dbraw/zinc/30/04/10/185300410.db2.gz VDZQXSZDALKQEN-DYVFJYSZSA-N 1 0 300.358 3.287 20 5 DGBDRO Cc1cc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n(C)n1 ZINC000286626788 219090676 /nfs/dbraw/zinc/09/06/76/219090676.db2.gz ZDPMEQROYGQWIO-UHFFFAOYSA-N 1 0 311.345 3.105 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279303196 214777032 /nfs/dbraw/zinc/77/70/32/214777032.db2.gz QMFGVHAHFLAAIM-OLZOCXBDSA-N 1 0 305.378 3.092 20 5 DGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297408700 529939742 /nfs/dbraw/zinc/93/97/42/529939742.db2.gz CRKOWXBIVJJDCK-JKSUJKDBSA-N 1 0 314.389 3.059 20 5 DGBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297461572 529939830 /nfs/dbraw/zinc/93/98/30/529939830.db2.gz IBDDQBPAROAYMD-SJORKVTESA-N 1 0 314.389 3.059 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000279394360 214848161 /nfs/dbraw/zinc/84/81/61/214848161.db2.gz ZBKSDBFQMPCKAS-BXUZGUMPSA-N 1 0 316.361 3.313 20 5 DGBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)C[NH+]1CCCC1 ZINC000418143883 529990488 /nfs/dbraw/zinc/99/04/88/529990488.db2.gz JIPQWJFKYOWYHV-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCCO)CC2)c(Cl)c1 ZINC000330814158 232088013 /nfs/dbraw/zinc/08/80/13/232088013.db2.gz PWCPNOADJSTHDL-UHFFFAOYSA-N 1 0 312.797 3.233 20 5 DGBDRO Cc1noc(C)c1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192733943 282387540 /nfs/dbraw/zinc/38/75/40/282387540.db2.gz DRYXLYSMPSWHGQ-INIZCTEOSA-N 1 0 301.346 3.367 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000181736397 199345252 /nfs/dbraw/zinc/34/52/52/199345252.db2.gz CAQLPEXNHLLZJS-MRXNPFEDSA-N 1 0 314.389 3.297 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000181976227 199369477 /nfs/dbraw/zinc/36/94/77/199369477.db2.gz PXHWHWBGJBVKTL-MEBBXXQBSA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000066532549 432017373 /nfs/dbraw/zinc/01/73/73/432017373.db2.gz PKJGFOKXVZOOFX-VXGBXAGGSA-N 1 0 306.362 3.224 20 5 DGBDRO CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000130274681 432019406 /nfs/dbraw/zinc/01/94/06/432019406.db2.gz WHHCELGJPXIZJB-INIZCTEOSA-N 1 0 319.405 3.068 20 5 DGBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000106439756 432021419 /nfs/dbraw/zinc/02/14/19/432021419.db2.gz GFLQSXGAGNKCAW-VXGBXAGGSA-N 1 0 319.405 3.093 20 5 DGBDRO CCOc1ccc([C@@H](C)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000152513031 186081064 /nfs/dbraw/zinc/08/10/64/186081064.db2.gz AWXBNBHLLUTLKU-CYBMUJFWSA-N 1 0 323.437 3.232 20 5 DGBDRO COCC(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000066995954 432025030 /nfs/dbraw/zinc/02/50/30/432025030.db2.gz GFQRTVKOFGWWHY-UHFFFAOYSA-N 1 0 304.346 3.369 20 5 DGBDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000177853540 186194214 /nfs/dbraw/zinc/19/42/14/186194214.db2.gz DCKSAFZZHVTGSO-CYBMUJFWSA-N 1 0 302.378 3.218 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1F)c1cccs1 ZINC000266849757 186358811 /nfs/dbraw/zinc/35/88/11/186358811.db2.gz KXZSEOAFIVZBNC-NSHDSACASA-N 1 0 324.381 3.092 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000067040213 432025905 /nfs/dbraw/zinc/02/59/05/432025905.db2.gz RTKQZJDAPFMDAU-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO CO[C@H](C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290925198 186626258 /nfs/dbraw/zinc/62/62/58/186626258.db2.gz RBUHGIMOPUBPST-MRVPVSSYSA-N 1 0 307.177 3.416 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171950493 198013145 /nfs/dbraw/zinc/01/31/45/198013145.db2.gz WHUJDDZLDQGOEA-SNVBAGLBSA-N 1 0 313.785 3.165 20 5 DGBDRO Cc1csc(C(C)(C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000072662949 191210449 /nfs/dbraw/zinc/21/04/49/191210449.db2.gz YCXYDQBISHIBKC-UHFFFAOYSA-N 1 0 321.402 3.263 20 5 DGBDRO C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173366818 198207610 /nfs/dbraw/zinc/20/76/10/198207610.db2.gz UVZRHSYBJBISAW-AWEZNQCLSA-N 1 0 319.405 3.038 20 5 DGBDRO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000182694611 199476729 /nfs/dbraw/zinc/47/67/29/199476729.db2.gz FIHMFTCQPUCFPY-LLVKDONJSA-N 1 0 306.387 3.184 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163789234 432041404 /nfs/dbraw/zinc/04/14/04/432041404.db2.gz ILTMNOHJMWAXJA-OWQGQXMQSA-N 1 0 320.433 3.303 20 5 DGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000165016744 432052759 /nfs/dbraw/zinc/05/27/59/432052759.db2.gz WYAAMCCASMUFCK-ZDUSSCGKSA-N 1 0 313.357 3.274 20 5 DGBDRO CN(Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000179316217 432053964 /nfs/dbraw/zinc/05/39/64/432053964.db2.gz BXABHOWORWLFLQ-UHFFFAOYSA-N 1 0 302.378 3.247 20 5 DGBDRO CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000276848525 213132291 /nfs/dbraw/zinc/13/22/91/213132291.db2.gz DGDCIEGTMTWXTJ-DZGCQCFKSA-N 1 0 308.378 3.041 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCS1)C1CC1 ZINC000168660356 432070050 /nfs/dbraw/zinc/07/00/50/432070050.db2.gz VOHNQWNSZSUNTE-CABCVRRESA-N 1 0 306.431 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000168951266 432070415 /nfs/dbraw/zinc/07/04/15/432070415.db2.gz SGQAOYSBRYPGPV-XHSDSOJGSA-N 1 0 302.374 3.032 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](C)O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000179582100 199058269 /nfs/dbraw/zinc/05/82/69/199058269.db2.gz JTWLDTDVQLCGOJ-WDEREUQCSA-N 1 0 306.387 3.355 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000134375222 432076324 /nfs/dbraw/zinc/07/63/24/432076324.db2.gz CRWVKAPODZNVKW-MRXNPFEDSA-N 1 0 324.421 3.221 20 5 DGBDRO O=[N+]([O-])c1ccc(CNCC[NH2+]C2CCCCCC2)c(F)c1 ZINC000414815170 236880092 /nfs/dbraw/zinc/88/00/92/236880092.db2.gz SSKALKPPIIHIJW-UHFFFAOYSA-N 1 0 309.385 3.136 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC2(OC)CCC2)cc1[N+](=O)[O-] ZINC000180196671 432081391 /nfs/dbraw/zinc/08/13/91/432081391.db2.gz OTKSQBNFEUUUKD-LBPRGKRZSA-N 1 0 308.378 3.213 20 5 DGBDRO CC(C)(O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000187506344 200121516 /nfs/dbraw/zinc/12/15/16/200121516.db2.gz ZLIUIDXZSXDJTJ-UHFFFAOYSA-N 1 0 300.358 3.112 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000187970892 200184962 /nfs/dbraw/zinc/18/49/62/200184962.db2.gz JWSGAIQGGJDRIG-ZDUSSCGKSA-N 1 0 319.405 3.354 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CC[C@@H](O)C3)o2)c1 ZINC000188843684 200311340 /nfs/dbraw/zinc/31/13/40/200311340.db2.gz MWRHFVWKZROSGJ-SWLSCSKDSA-N 1 0 316.357 3.105 20 5 DGBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000189121568 200352181 /nfs/dbraw/zinc/35/21/81/200352181.db2.gz ZXLYPTBEGDRQNO-RYUDHWBXSA-N 1 0 304.346 3.368 20 5 DGBDRO Cc1c(CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429369351 238049703 /nfs/dbraw/zinc/04/97/03/238049703.db2.gz RSQPFTMMFCWROW-AWEZNQCLSA-N 1 0 317.433 3.209 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000430203568 238070781 /nfs/dbraw/zinc/07/07/81/238070781.db2.gz OXQANGLTPIHEFF-INIZCTEOSA-N 1 0 312.369 3.420 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H](SC)C1 ZINC000430212295 238071165 /nfs/dbraw/zinc/07/11/65/238071165.db2.gz LUINEYUOIIDFQG-AWEZNQCLSA-N 1 0 310.419 3.321 20 5 DGBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000429532960 238053865 /nfs/dbraw/zinc/05/38/65/238053865.db2.gz YUKONZKXYBLDKK-RDJZCZTQSA-N 1 0 322.405 3.429 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429582108 238056086 /nfs/dbraw/zinc/05/60/86/238056086.db2.gz ZIRYYWWVSXIZHU-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H](CCO)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180582367 432091373 /nfs/dbraw/zinc/09/13/73/432091373.db2.gz FUBAQLMZJLETKB-CXAGYDPISA-N 1 0 300.358 3.045 20 5 DGBDRO COC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000433202771 238150361 /nfs/dbraw/zinc/15/03/61/238150361.db2.gz TZXPOKHHKUMZAI-WBVHZDCISA-N 1 0 322.405 3.002 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433788515 238167544 /nfs/dbraw/zinc/16/75/44/238167544.db2.gz GXLDADPTPKXYOV-LBPRGKRZSA-N 1 0 310.785 3.072 20 5 DGBDRO CCN(CCC[NH+](C)C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000191511190 200711746 /nfs/dbraw/zinc/71/17/46/200711746.db2.gz AXFFTLHMNIQIJD-UHFFFAOYSA-N 1 0 322.409 3.017 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000434797408 238247690 /nfs/dbraw/zinc/24/76/90/238247690.db2.gz YAGDSBMHORBZNZ-UABRLCRWSA-N 1 0 315.417 3.215 20 5 DGBDRO [NH3+][C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000435375598 238296352 /nfs/dbraw/zinc/29/63/52/238296352.db2.gz VQHHEQYMMAJTJF-SNVBAGLBSA-N 1 0 321.764 3.041 20 5 DGBDRO Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000292760733 223233046 /nfs/dbraw/zinc/23/30/46/223233046.db2.gz WDNFWVMOXSBFGD-FUNVUKJBSA-N 1 0 307.369 3.104 20 5 DGBDRO Nc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000193397945 201045067 /nfs/dbraw/zinc/04/50/67/201045067.db2.gz YFUZCMATPUAHSL-UHFFFAOYSA-N 1 0 318.421 3.244 20 5 DGBDRO CSCCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000281495096 216341392 /nfs/dbraw/zinc/34/13/92/216341392.db2.gz UBKROHISCLZZPX-UHFFFAOYSA-N 1 0 321.402 3.435 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000292884387 223291734 /nfs/dbraw/zinc/29/17/34/223291734.db2.gz CHKIDJBZQVOBIJ-KRWDZBQOSA-N 1 0 316.357 3.369 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000195505993 201396366 /nfs/dbraw/zinc/39/63/66/201396366.db2.gz FUIHKACSZMKDIO-JTQLQIEISA-N 1 0 324.431 3.362 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000195505985 201397462 /nfs/dbraw/zinc/39/74/62/201397462.db2.gz COQOSQCKIJSIAN-ZDUSSCGKSA-N 1 0 318.402 3.300 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000271843117 209261118 /nfs/dbraw/zinc/26/11/18/209261118.db2.gz ZUKCMELBSXPEAF-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCn2cccn2)c2ccccc2)c1 ZINC000180828643 432103153 /nfs/dbraw/zinc/10/31/53/432103153.db2.gz UGYAULZEDIZOGH-GOSISDBHSA-N 1 0 322.368 3.171 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCCCC1 ZINC000449114063 240023784 /nfs/dbraw/zinc/02/37/84/240023784.db2.gz CAFJUQOEXFJCFC-SUMWQHHRSA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1cccc2nc(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])cn21 ZINC000449121851 240028220 /nfs/dbraw/zinc/02/82/20/240028220.db2.gz JLTODUQQVYQLJY-ZDUSSCGKSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2c1OCO2 ZINC000449083207 240008630 /nfs/dbraw/zinc/00/86/30/240008630.db2.gz AXOKFVUDKXRFLI-LBPRGKRZSA-N 1 0 314.341 3.044 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000449173736 240051395 /nfs/dbraw/zinc/05/13/95/240051395.db2.gz GPIOBHMJDLNOAA-XOKHGSTOSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CCCC1 ZINC000449170100 240051493 /nfs/dbraw/zinc/05/14/93/240051493.db2.gz FPBWIKDLPJZBHK-AWEZNQCLSA-N 1 0 306.406 3.058 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000449173735 240051505 /nfs/dbraw/zinc/05/15/05/240051505.db2.gz GPIOBHMJDLNOAA-KBRIMQKVSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000449174329 240052012 /nfs/dbraw/zinc/05/20/12/240052012.db2.gz PBYZSGMVZIOUCI-WNOSKKOXSA-N 1 0 318.417 3.319 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000449240522 240086073 /nfs/dbraw/zinc/08/60/73/240086073.db2.gz NZVVGOAUIWKTNS-KFWWJZLASA-N 1 0 306.406 3.321 20 5 DGBDRO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329134 240134344 /nfs/dbraw/zinc/13/43/44/240134344.db2.gz MNQIRIVSXAITGF-LSDHHAIUSA-N 1 0 307.438 3.236 20 5 DGBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)CO ZINC000449415962 240187860 /nfs/dbraw/zinc/18/78/60/240187860.db2.gz QPRJDTGRXAKLSE-UHFFFAOYSA-N 1 0 318.373 3.305 20 5 DGBDRO CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000449500213 240248934 /nfs/dbraw/zinc/24/89/34/240248934.db2.gz MQHLDXBXKQMQQW-IAQYHMDHSA-N 1 0 312.797 3.495 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000449480133 240232155 /nfs/dbraw/zinc/23/21/55/240232155.db2.gz XIFOOQUYWTUSSN-HNNXBMFYSA-N 1 0 304.390 3.342 20 5 DGBDRO Cc1cnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449505315 240252711 /nfs/dbraw/zinc/25/27/11/240252711.db2.gz WVYYORIIHBZWSK-OAHLLOKOSA-N 1 0 312.373 3.073 20 5 DGBDRO COc1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000449729312 240383423 /nfs/dbraw/zinc/38/34/23/240383423.db2.gz AJTAVBLDLPXLDX-INIZCTEOSA-N 1 0 322.430 3.323 20 5 DGBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000091399974 193050539 /nfs/dbraw/zinc/05/05/39/193050539.db2.gz OBGSFBODLUVKLT-HNNXBMFYSA-N 1 0 322.796 3.432 20 5 DGBDRO CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000091919372 193127153 /nfs/dbraw/zinc/12/71/53/193127153.db2.gz DKNVOPHFWAUMST-GFCCVEGCSA-N 1 0 308.378 3.234 20 5 DGBDRO C[C@@H](c1ccncc1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000091986530 193137728 /nfs/dbraw/zinc/13/77/28/193137728.db2.gz OGGVTZDNJBVSFZ-AWEZNQCLSA-N 1 0 315.373 3.452 20 5 DGBDRO CCC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000451438100 241123687 /nfs/dbraw/zinc/12/36/87/241123687.db2.gz MNZGZVYZZLHJRY-BBRMVZONSA-N 1 0 324.421 3.139 20 5 DGBDRO C[C@@H]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000453400756 241765435 /nfs/dbraw/zinc/76/54/35/241765435.db2.gz CYEFYIGEMLNQGU-KCXAZCMYSA-N 1 0 304.390 3.073 20 5 DGBDRO CC[C@H](c1ccncc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000092224614 193176834 /nfs/dbraw/zinc/17/68/34/193176834.db2.gz LDFDCUMMSGHJIT-QGZVFWFLSA-N 1 0 315.373 3.452 20 5 DGBDRO C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000171261824 432118199 /nfs/dbraw/zinc/11/81/99/432118199.db2.gz HBDAMDQTGRTRMB-CRWXNKLISA-N 1 0 319.405 3.033 20 5 DGBDRO COC[C@H](CC(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000468047878 244019091 /nfs/dbraw/zinc/01/90/91/244019091.db2.gz CQQFVUVLDGNRQH-LBPRGKRZSA-N 1 0 300.786 3.399 20 5 DGBDRO CCC[C@H](CCO)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468619468 244056388 /nfs/dbraw/zinc/05/63/88/244056388.db2.gz GHLOZEBTMAHBKY-BAAYTWLHSA-N 1 0 306.406 3.386 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC(C)(C)CO ZINC000468637098 244056506 /nfs/dbraw/zinc/05/65/06/244056506.db2.gz GOSDERNUAGRYQW-GXDHUFHOSA-N 1 0 306.406 3.386 20 5 DGBDRO CCC[C@H](CCO)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468619471 244056780 /nfs/dbraw/zinc/05/67/80/244056780.db2.gz GHLOZEBTMAHBKY-YVGNARHYSA-N 1 0 306.406 3.386 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCCCCC1 ZINC000468644720 244059441 /nfs/dbraw/zinc/05/94/41/244059441.db2.gz FYHPKRUPBAALTJ-SSZFMOIBSA-N 1 0 317.433 3.464 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCCO[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000472578967 244309342 /nfs/dbraw/zinc/30/93/42/244309342.db2.gz NPBIBHULPLAKHZ-WMLDXEAASA-N 1 0 322.405 3.487 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093480869 193257070 /nfs/dbraw/zinc/25/70/70/193257070.db2.gz DOKGPQADMHOKFY-NEPJUHHUSA-N 1 0 308.378 3.090 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093505292 193262061 /nfs/dbraw/zinc/26/20/61/193262061.db2.gz BOLWEYMMRHIGTO-LBGCYQIYSA-N 1 0 302.374 3.109 20 5 DGBDRO CC[NH2+]CC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093634133 193277605 /nfs/dbraw/zinc/27/76/05/193277605.db2.gz ANXCURSCQVLFHS-UHFFFAOYSA-N 1 0 311.813 3.070 20 5 DGBDRO Cc1cc(N[C@H]2CCC[C@@H]2CCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000274989984 212060712 /nfs/dbraw/zinc/06/07/12/212060712.db2.gz DKPUMUNEDPNPPI-DOMZBBRYSA-N 1 0 315.373 3.414 20 5 DGBDRO CC(C)[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000122147001 284214017 /nfs/dbraw/zinc/21/40/17/284214017.db2.gz RFAIQIICTUQSQE-PBHICJAKSA-N 1 0 305.422 3.366 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCOC2)cc(C(F)(F)F)c1 ZINC000487170252 245029885 /nfs/dbraw/zinc/02/98/85/245029885.db2.gz HDKCJYIEXBLBKR-JTQLQIEISA-N 1 0 318.295 3.130 20 5 DGBDRO CC(C)[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488042247 245138021 /nfs/dbraw/zinc/13/80/21/245138021.db2.gz OISKOUVQOHNEKK-OAHLLOKOSA-N 1 0 311.813 3.020 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000125398452 284275259 /nfs/dbraw/zinc/27/52/59/284275259.db2.gz KOBUKJONWPENAK-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCOC1 ZINC000266128460 205121919 /nfs/dbraw/zinc/12/19/19/205121919.db2.gz CHIUWEHUUJNMGV-OLZOCXBDSA-N 1 0 316.357 3.369 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCSC3)cs2)c1 ZINC000266172423 205157425 /nfs/dbraw/zinc/15/74/25/205157425.db2.gz RSURWMSIJXQQAT-LLVKDONJSA-N 1 0 321.427 3.313 20 5 DGBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000266432825 205342138 /nfs/dbraw/zinc/34/21/38/205342138.db2.gz UMSVLQGNYLSQJC-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO C[C@@](CO)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000282972627 217361002 /nfs/dbraw/zinc/36/10/02/217361002.db2.gz CWSAYITXGKTXRJ-INIZCTEOSA-N 1 0 310.369 3.155 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000268768931 432131037 /nfs/dbraw/zinc/13/10/37/432131037.db2.gz DFFWXIFXSAPQQD-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1c([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000268779161 432132645 /nfs/dbraw/zinc/13/26/45/432132645.db2.gz PFFGSZGFPMNMKF-JLJPHGGASA-N 1 0 303.406 3.181 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000493654436 246033882 /nfs/dbraw/zinc/03/38/82/246033882.db2.gz ISOPKONAQGLCCV-CYBMUJFWSA-N 1 0 323.824 3.308 20 5 DGBDRO CN(C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000021800891 182290374 /nfs/dbraw/zinc/29/03/74/182290374.db2.gz CVMCTGQBYWMAAP-CQSZACIVSA-N 1 0 305.403 3.049 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000267474160 206094120 /nfs/dbraw/zinc/09/41/20/206094120.db2.gz YVUSCEHYYQBUPM-CYBMUJFWSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@@]1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000494799353 246194194 /nfs/dbraw/zinc/19/41/94/246194194.db2.gz JAAUDCUSEAMOPK-HUUCEWRRSA-N 1 0 310.781 3.295 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000267690111 206221667 /nfs/dbraw/zinc/22/16/67/206221667.db2.gz HQJJWCRZARVTEL-CYBMUJFWSA-N 1 0 319.405 3.352 20 5 DGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000276384938 284590340 /nfs/dbraw/zinc/59/03/40/284590340.db2.gz DVIDDIIYXJAXBF-UHFFFAOYSA-N 1 0 321.421 3.097 20 5 DGBDRO C[C@H]1CCC[C@@](CNCc2csc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000040668906 183115291 /nfs/dbraw/zinc/11/52/91/183115291.db2.gz HKJQZNBOHOHPOU-SWLSCSKDSA-N 1 0 311.451 3.256 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268977040 432149668 /nfs/dbraw/zinc/14/96/68/432149668.db2.gz JSZQEEVPVOAPCZ-WMLDXEAASA-N 1 0 314.385 3.412 20 5 DGBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000043411751 183359454 /nfs/dbraw/zinc/35/94/54/183359454.db2.gz VZHAGGMTRWSCCY-UHFFFAOYSA-N 1 0 305.300 3.366 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](COC)C(C)C)cc1[N+](=O)[O-] ZINC000153984245 284705093 /nfs/dbraw/zinc/70/50/93/284705093.db2.gz DTJHVJOPUUGFJI-TZMCWYRMSA-N 1 0 310.394 3.315 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000284309057 217972779 /nfs/dbraw/zinc/97/27/79/217972779.db2.gz JGXQPLSFTAEMDA-ZBFHGGJFSA-N 1 0 318.417 3.201 20 5 DGBDRO CCC[C@H]([NH2+]Cc1cc(C)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000284533018 218067483 /nfs/dbraw/zinc/06/74/83/218067483.db2.gz XCZISGHNKYLCJH-INIZCTEOSA-N 1 0 302.378 3.268 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000285084590 218284534 /nfs/dbraw/zinc/28/45/34/218284534.db2.gz JTYJEMHNMMHJAW-RBOXIYTFSA-N 1 0 307.394 3.031 20 5 DGBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285266028 218359039 /nfs/dbraw/zinc/35/90/39/218359039.db2.gz QPDASYWDOHSVPQ-ZJUUUORDSA-N 1 0 318.377 3.236 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)nc1 ZINC000285348689 218392514 /nfs/dbraw/zinc/39/25/14/218392514.db2.gz PJIHGVVGYRLVQS-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO Cc1c(CN2CCCC[C@@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000285350606 218391889 /nfs/dbraw/zinc/39/18/89/218391889.db2.gz LHIJAGAJXXGWJI-MRXNPFEDSA-N 1 0 300.362 3.354 20 5 DGBDRO C[N@H+](CCCCCn1cccn1)CCc1ccccc1[N+](=O)[O-] ZINC000285361390 218397979 /nfs/dbraw/zinc/39/79/79/218397979.db2.gz QIJZXPKHJSTTQM-UHFFFAOYSA-N 1 0 316.405 3.136 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000245568828 284826539 /nfs/dbraw/zinc/82/65/39/284826539.db2.gz ABFXPFCXFPSBCT-DLTLXFJOSA-N 1 0 318.417 3.462 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc([N+](=O)[O-])cc1 ZINC000268798714 206967274 /nfs/dbraw/zinc/96/72/74/206967274.db2.gz GXLITCVFCZWRAM-IAQYHMDHSA-N 1 0 300.362 3.057 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1Cl ZINC000269053626 207201834 /nfs/dbraw/zinc/20/18/34/207201834.db2.gz UVEKZJMFIJUQLD-GFCCVEGCSA-N 1 0 320.780 3.351 20 5 DGBDRO CCC[C@@H]([NH2+]CCCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000158301139 197260363 /nfs/dbraw/zinc/26/03/63/197260363.db2.gz XVPLFAJSIWYOTJ-QGZVFWFLSA-N 1 0 316.405 3.392 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000116357558 194741329 /nfs/dbraw/zinc/74/13/29/194741329.db2.gz HLJNWMGIZZPZDB-OAHLLOKOSA-N 1 0 323.824 3.308 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000119683473 195017253 /nfs/dbraw/zinc/01/72/53/195017253.db2.gz MPMABYVQDMVLQC-ZDUSSCGKSA-N 1 0 303.406 3.181 20 5 DGBDRO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000119805989 195040846 /nfs/dbraw/zinc/04/08/46/195040846.db2.gz MIOYITKLGVLEDL-GFCCVEGCSA-N 1 0 323.393 3.160 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000119873123 195053683 /nfs/dbraw/zinc/05/36/83/195053683.db2.gz SPVDGSGZTJDJFK-GFCCVEGCSA-N 1 0 306.391 3.075 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1CO ZINC000249106529 285056248 /nfs/dbraw/zinc/05/62/48/285056248.db2.gz QOKWCGSMJHZUTK-LRDDRELGSA-N 1 0 316.357 3.058 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000336984230 253031047 /nfs/dbraw/zinc/03/10/47/253031047.db2.gz HFRMKRFJEXQCJS-WXHSDQCUSA-N 1 0 305.378 3.008 20 5 DGBDRO Cc1cc(NCC2(C)CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336871398 253015960 /nfs/dbraw/zinc/01/59/60/253015960.db2.gz FUVOFLHIIZVZAU-UHFFFAOYSA-N 1 0 315.373 3.102 20 5 DGBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000337321905 253087172 /nfs/dbraw/zinc/08/71/72/253087172.db2.gz QMXHQOAVOGNCBE-CYBMUJFWSA-N 1 0 319.405 3.291 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451603847 285088943 /nfs/dbraw/zinc/08/89/43/285088943.db2.gz JYIQKYYWUKVCKX-GDBMZVCRSA-N 1 0 324.808 3.135 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000337481900 253124405 /nfs/dbraw/zinc/12/44/05/253124405.db2.gz WGVLMHLSNHGNPS-COPLHBTASA-N 1 0 316.361 3.484 20 5 DGBDRO COCC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000337945088 253197969 /nfs/dbraw/zinc/19/79/69/253197969.db2.gz IGKALDBDWZIWMZ-HNNXBMFYSA-N 1 0 310.394 3.144 20 5 DGBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000337951780 253199151 /nfs/dbraw/zinc/19/91/51/253199151.db2.gz LSJFCDJSDRDCCO-FUEXJSSKSA-N 1 0 301.321 3.493 20 5 DGBDRO C[N@H+](CCCO[C@H]1CCCCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000338373134 253276300 /nfs/dbraw/zinc/27/63/00/253276300.db2.gz INUNCDCLTIMBAH-KRWDZBQOSA-N 1 0 322.405 3.002 20 5 DGBDRO Cc1cnc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000273011034 210390321 /nfs/dbraw/zinc/39/03/21/210390321.db2.gz SDGISJILQFLEAM-ZIAGYGMSSA-N 1 0 318.421 3.363 20 5 DGBDRO COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)(C)C ZINC000338370134 253274611 /nfs/dbraw/zinc/27/46/11/253274611.db2.gz ZUJFJGIEGASXFT-HNNXBMFYSA-N 1 0 310.394 3.144 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000338642510 253324998 /nfs/dbraw/zinc/32/49/98/253324998.db2.gz OGOBTUBZWJWCSW-MRXNPFEDSA-N 1 0 307.394 3.136 20 5 DGBDRO Cn1cc(Cl)cc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000120223755 195121962 /nfs/dbraw/zinc/12/19/62/195121962.db2.gz ULUXCNKIRKHWCT-UHFFFAOYSA-N 1 0 323.780 3.098 20 5 DGBDRO COc1ccsc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338956460 253379481 /nfs/dbraw/zinc/37/94/81/253379481.db2.gz TXORPBTXMYTCON-UHFFFAOYSA-N 1 0 306.387 3.339 20 5 DGBDRO CC[C@H](COC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000120224643 195123346 /nfs/dbraw/zinc/12/33/46/195123346.db2.gz GXIBKSVCQLVGLW-GFCCVEGCSA-N 1 0 321.402 3.233 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000288669251 220335701 /nfs/dbraw/zinc/33/57/01/220335701.db2.gz WHRVCSKIOTZYJU-CXAGYDPISA-N 1 0 300.358 3.115 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@@]3(CCOC3)C1)CCC2 ZINC000453357972 285144048 /nfs/dbraw/zinc/14/40/48/285144048.db2.gz JNBXEWVHYLWSSG-ZWKOTPCHSA-N 1 0 316.401 3.475 20 5 DGBDRO CCCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000158148781 197247525 /nfs/dbraw/zinc/24/75/25/197247525.db2.gz KJJXFIRCSPANSY-UHFFFAOYSA-N 1 0 302.378 3.227 20 5 DGBDRO C[C@H](C1CC1)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000158022043 197236058 /nfs/dbraw/zinc/23/60/58/197236058.db2.gz OINUDFFPCLZDCF-GFCCVEGCSA-N 1 0 314.389 3.226 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)C1CC1 ZINC000453386320 285161229 /nfs/dbraw/zinc/16/12/29/285161229.db2.gz VDUZXAIRCXCBAF-LZLYRXPVSA-N 1 0 318.417 3.057 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000295135232 285161983 /nfs/dbraw/zinc/16/19/83/285161983.db2.gz YSWVMYAAVQDTPJ-BMFZPTHFSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000342825795 254059676 /nfs/dbraw/zinc/05/96/76/254059676.db2.gz LYQNJOGZUHPFNN-LBPRGKRZSA-N 1 0 310.357 3.364 20 5 DGBDRO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccn1 ZINC000342861675 254068020 /nfs/dbraw/zinc/06/80/20/254068020.db2.gz VBIJNLMZWGBLCK-UHFFFAOYSA-N 1 0 315.373 3.409 20 5 DGBDRO CN(c1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000343328954 254127285 /nfs/dbraw/zinc/12/72/85/254127285.db2.gz BCYVWFUKZIPPIV-FUNVUKJBSA-N 1 0 309.797 3.310 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157365784 197181968 /nfs/dbraw/zinc/18/19/68/197181968.db2.gz FFOQAKXCGLSHSE-MRXNPFEDSA-N 1 0 303.406 3.045 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000344054512 254218840 /nfs/dbraw/zinc/21/88/40/254218840.db2.gz JACNVHWARXLKNE-AWEZNQCLSA-N 1 0 317.389 3.212 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344089528 254223468 /nfs/dbraw/zinc/22/34/68/254223468.db2.gz JIKAQGWPQAUWPS-GXTWGEPZSA-N 1 0 317.389 3.044 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000344109575 254226451 /nfs/dbraw/zinc/22/64/51/254226451.db2.gz SSCZXPQFCAUOSK-HOTGVXAUSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@](O)(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000344411290 254267600 /nfs/dbraw/zinc/26/76/00/254267600.db2.gz RYXIVMFZQYYYDM-KRWDZBQOSA-N 1 0 316.357 3.105 20 5 DGBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000120328075 195143675 /nfs/dbraw/zinc/14/36/75/195143675.db2.gz QFEQGYNWCHYYRU-UHFFFAOYSA-N 1 0 312.797 3.231 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N(C)C)CCC1 ZINC000344792533 254306038 /nfs/dbraw/zinc/30/60/38/254306038.db2.gz KRNLQFLZVQQPRL-UVTDQMKNSA-N 1 0 303.406 3.072 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000344824597 254308380 /nfs/dbraw/zinc/30/83/80/254308380.db2.gz NCNJIIDTQWZRRA-BYPUDFOVSA-N 1 0 302.374 3.299 20 5 DGBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1c[nH]nc1C ZINC000344852164 254310812 /nfs/dbraw/zinc/31/08/12/254310812.db2.gz IPBXIKXHVNCELZ-UKTHLTGXSA-N 1 0 314.389 3.252 20 5 DGBDRO C[C@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000156659352 197130992 /nfs/dbraw/zinc/13/09/92/197130992.db2.gz MORRXUCWFCTAQA-INIZCTEOSA-N 1 0 320.776 3.246 20 5 DGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289845406 285244085 /nfs/dbraw/zinc/24/40/85/285244085.db2.gz PPXWBHDPNAQGDC-YFZXXLGGSA-N 1 0 315.417 3.167 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000271562760 209015736 /nfs/dbraw/zinc/01/57/36/209015736.db2.gz PWIQAHYBEBHBBX-YPMHNXCESA-N 1 0 316.361 3.408 20 5 DGBDRO Cc1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])c2cccc([N+](=O)[O-])c2n1 ZINC000420255718 291938967 /nfs/dbraw/zinc/93/89/67/291938967.db2.gz GGUGZMIHVHVKDE-DGCLKSJQSA-N 1 0 314.389 3.015 20 5 DGBDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000294872115 224277858 /nfs/dbraw/zinc/27/78/58/224277858.db2.gz PHRJKDFIZOGWLW-JTQLQIEISA-N 1 0 308.769 3.315 20 5 DGBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)OCCc2sccc21 ZINC000289862826 221276818 /nfs/dbraw/zinc/27/68/18/221276818.db2.gz QNXFVXMZBLQJTA-MRXNPFEDSA-N 1 0 318.398 3.234 20 5 DGBDRO CC[C@@H]([NH2+]CCc1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000289857875 221273902 /nfs/dbraw/zinc/27/39/02/221273902.db2.gz QVOKDGQANKRBKD-CYBMUJFWSA-N 1 0 306.391 3.038 20 5 DGBDRO C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295006728 224373775 /nfs/dbraw/zinc/37/37/75/224373775.db2.gz IZNFQBXCZAQBSO-BFYDXBDKSA-N 1 0 320.433 3.447 20 5 DGBDRO COC[C@]1(C)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000294951683 533229615 /nfs/dbraw/zinc/22/96/15/533229615.db2.gz MCQZBBJCXRSHTH-QGZVFWFLSA-N 1 0 315.373 3.314 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000449620126 533383707 /nfs/dbraw/zinc/38/37/07/533383707.db2.gz SNGWTGYEWSWITJ-CRPZLVSXSA-N 1 0 318.417 3.481 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000468652837 533385012 /nfs/dbraw/zinc/38/50/12/533385012.db2.gz KMKAWDZVHGMQLR-BGXJKKHCSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C2CC2)c1 ZINC000294734225 533407187 /nfs/dbraw/zinc/40/71/87/533407187.db2.gz KXTFEUCPHVIVNC-GFCCVEGCSA-N 1 0 300.362 3.020 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1 ZINC000444659903 533644774 /nfs/dbraw/zinc/64/47/74/533644774.db2.gz FJVUWXMWVJPVIJ-RYUDHWBXSA-N 1 0 302.378 3.339 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000356773337 285483035 /nfs/dbraw/zinc/48/30/35/285483035.db2.gz CHIWUAATTXKVSQ-GZBFAFLISA-N 1 0 322.405 3.459 20 5 DGBDRO Cc1nc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(C)o1 ZINC000357777821 285864052 /nfs/dbraw/zinc/86/40/52/285864052.db2.gz KCYJNAUFDNHXGH-LLVKDONJSA-N 1 0 303.362 3.401 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccccc1O ZINC000595042875 400087152 /nfs/dbraw/zinc/08/71/52/400087152.db2.gz TUNQXJZJKRTVLC-GFCCVEGCSA-N 1 0 316.357 3.202 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccc(C)cn1 ZINC000595043809 400087297 /nfs/dbraw/zinc/08/72/97/400087297.db2.gz AKNDHODTMGSYOM-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000595050081 400089440 /nfs/dbraw/zinc/08/94/40/400089440.db2.gz FURSLGAEVHFVQW-IUIKQTSFSA-N 1 0 320.389 3.212 20 5 DGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595051204 400090121 /nfs/dbraw/zinc/09/01/21/400090121.db2.gz LKEMNVMOVHGPIW-KCPJHIHWSA-N 1 0 308.378 3.212 20 5 DGBDRO Cc1ccc([C@@H](C)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595056366 400092773 /nfs/dbraw/zinc/09/27/73/400092773.db2.gz FRPVHNOOGVFYKY-UKRRQHHQSA-N 1 0 305.422 3.427 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000595069829 400097848 /nfs/dbraw/zinc/09/78/48/400097848.db2.gz SKWAOMBTNTWBHW-OFQRWUPVSA-N 1 0 318.417 3.057 20 5 DGBDRO CC(C)(C)OCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595077402 400100566 /nfs/dbraw/zinc/10/05/66/400100566.db2.gz QVPGAWSUMUQFAE-KGLIPLIRSA-N 1 0 324.425 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)CC1CC1)CCCC2 ZINC000595089405 400103037 /nfs/dbraw/zinc/10/30/37/400103037.db2.gz OFGQXHFUVIPMAP-RDTXWAMCSA-N 1 0 318.417 3.361 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595292592 400118585 /nfs/dbraw/zinc/11/85/85/400118585.db2.gz AYTHJFYSPFYXKN-CQSZACIVSA-N 1 0 319.336 3.237 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC1(C)C ZINC000595105393 400107401 /nfs/dbraw/zinc/10/74/01/400107401.db2.gz GBKYRHBEWNFAAD-ZFWWWQNUSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@]1(C)CC1(C)C ZINC000595106573 400107587 /nfs/dbraw/zinc/10/75/87/400107587.db2.gz VJFWUEHSXJJFAM-BDJLRTHQSA-N 1 0 305.378 3.090 20 5 DGBDRO C[C@H](O)[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000595105074 400107841 /nfs/dbraw/zinc/10/78/41/400107841.db2.gz WVLADVHQZGHUSW-BJOOFOGMSA-N 1 0 312.369 3.294 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000595023862 400079725 /nfs/dbraw/zinc/07/97/25/400079725.db2.gz YZXGSRLYDYLTPA-STQMWFEESA-N 1 0 320.389 3.356 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595024956 400079913 /nfs/dbraw/zinc/07/99/13/400079913.db2.gz IBDXVLXZWIBRDN-OLZOCXBDSA-N 1 0 310.394 3.053 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000090910195 400082441 /nfs/dbraw/zinc/08/24/41/400082441.db2.gz RIOHPCZDYGGSJM-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000595034552 400083755 /nfs/dbraw/zinc/08/37/55/400083755.db2.gz XWCUXFBOUOTDCL-RDBSUJKOSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C ZINC000595035158 400083918 /nfs/dbraw/zinc/08/39/18/400083918.db2.gz HBGGVLXHFDODOW-LRDDRELGSA-N 1 0 324.421 3.297 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000322157983 400174048 /nfs/dbraw/zinc/17/40/48/400174048.db2.gz MCJSJFUSWXPOGL-ZDUSSCGKSA-N 1 0 314.389 3.285 20 5 DGBDRO CC1(C)C[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000595525243 400177776 /nfs/dbraw/zinc/17/77/76/400177776.db2.gz QDVWJXHOUHKTIJ-ZBFHGGJFSA-N 1 0 304.390 3.342 20 5 DGBDRO CN1Cc2ccccc2[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000588007572 400179762 /nfs/dbraw/zinc/17/97/62/400179762.db2.gz IOTSLFQNHBEKTN-CQSZACIVSA-N 1 0 301.321 3.333 20 5 DGBDRO CC(C)[N@H+](CCO[C@H]1CC1(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000595295712 400120602 /nfs/dbraw/zinc/12/06/02/400120602.db2.gz QAYZIXFEPRBNIL-AWEZNQCLSA-N 1 0 314.332 3.229 20 5 DGBDRO C[NH+](C)CCOc1ccccc1CNc1ccc([N+](=O)[O-])cc1 ZINC000091475959 400121207 /nfs/dbraw/zinc/12/12/07/400121207.db2.gz LYUQNHGPRRJKKV-UHFFFAOYSA-N 1 0 315.373 3.147 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2(CO)CC2)c2ccccc2)c1 ZINC000305831402 400123771 /nfs/dbraw/zinc/12/37/71/400123771.db2.gz OERJKUJALLOIJX-QGZVFWFLSA-N 1 0 312.369 3.046 20 5 DGBDRO CC[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCCC1 ZINC000092607788 400185767 /nfs/dbraw/zinc/18/57/67/400185767.db2.gz OAARINDNBQLLJT-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)CO1 ZINC000609672082 400185919 /nfs/dbraw/zinc/18/59/19/400185919.db2.gz YDAPSSHYWUOXOE-UHFFFAOYSA-N 1 0 322.405 3.253 20 5 DGBDRO CC1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000609670606 400185943 /nfs/dbraw/zinc/18/59/43/400185943.db2.gz BIWRHRNEHCMGGH-UHFFFAOYSA-N 1 0 309.435 3.357 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000595418399 400143064 /nfs/dbraw/zinc/14/30/64/400143064.db2.gz PUOOZSDERDHGMX-MRXNPFEDSA-N 1 0 318.348 3.337 20 5 DGBDRO C[NH2+]CC1(c2ccc(-c3cc([N+](=O)[O-])ccc3CO)cc2)CC1 ZINC000600783468 400152052 /nfs/dbraw/zinc/15/20/52/400152052.db2.gz VPMPLZPPCKZRIH-UHFFFAOYSA-N 1 0 312.369 3.005 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC000092072092 400152122 /nfs/dbraw/zinc/15/21/22/400152122.db2.gz LQJJZDCFGNPKHU-AWEZNQCLSA-N 1 0 300.362 3.006 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595442833 400152156 /nfs/dbraw/zinc/15/21/56/400152156.db2.gz WUNBCFGCQTZKCY-GDBMZVCRSA-N 1 0 310.369 3.417 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000609234767 400153063 /nfs/dbraw/zinc/15/30/63/400153063.db2.gz LQLTZGDNOMIRTC-SMDDNHRTSA-N 1 0 307.394 3.336 20 5 DGBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595450504 400155084 /nfs/dbraw/zinc/15/50/84/400155084.db2.gz NWUXYCHFBJPEHM-LSDHHAIUSA-N 1 0 315.373 3.392 20 5 DGBDRO CN(CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000609355645 400161743 /nfs/dbraw/zinc/16/17/43/400161743.db2.gz YJUHKZZGESVBTJ-UHFFFAOYSA-N 1 0 313.401 3.206 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(C2CC2)no1 ZINC000595476539 400163089 /nfs/dbraw/zinc/16/30/89/400163089.db2.gz NRCJJECWXVVNJU-UHFFFAOYSA-N 1 0 301.346 3.135 20 5 DGBDRO COc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1C ZINC000320756104 400166745 /nfs/dbraw/zinc/16/67/45/400166745.db2.gz AXFJSYJXDIMJSW-CYBMUJFWSA-N 1 0 307.394 3.054 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000609448996 400168309 /nfs/dbraw/zinc/16/83/09/400168309.db2.gz DPOMZDXKHDMSBP-OAHLLOKOSA-N 1 0 318.421 3.446 20 5 DGBDRO CCn1cc(CN(Cc2ccc(F)cc2[N+](=O)[O-])C(C)C)cn1 ZINC000595559164 400188291 /nfs/dbraw/zinc/18/82/91/400188291.db2.gz QOSMQNUMRRHBPY-UHFFFAOYSA-N 1 0 320.368 3.361 20 5 DGBDRO CC[NH+]1CCC(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000321604965 400171499 /nfs/dbraw/zinc/17/14/99/400171499.db2.gz RSRODETTYCYGPY-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO COc1ccc(OCC[NH+]2C3CCCC2CCC3)c([N+](=O)[O-])c1 ZINC000610370166 400252101 /nfs/dbraw/zinc/25/21/01/400252101.db2.gz ZNOFSFCJMREXGP-UHFFFAOYSA-N 1 0 320.389 3.389 20 5 DGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000595765246 400252725 /nfs/dbraw/zinc/25/27/25/400252725.db2.gz IYFQXRRRLOJDSO-CQSZACIVSA-N 1 0 305.378 3.010 20 5 DGBDRO Cc1noc(C[N@@H+]2CCc3ccccc3C(C)(C)C2)c1[N+](=O)[O-] ZINC000595636348 400214334 /nfs/dbraw/zinc/21/43/34/400214334.db2.gz XTCJQISFHADTKB-UHFFFAOYSA-N 1 0 315.373 3.227 20 5 DGBDRO CCN(C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH+]1CCCC1 ZINC000589196987 400273690 /nfs/dbraw/zinc/27/36/90/400273690.db2.gz RJUPVHPMYQJIOL-JXMROGBWSA-N 1 0 317.433 3.416 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CC(C)C)CC1 ZINC000595832759 400274890 /nfs/dbraw/zinc/27/48/90/400274890.db2.gz YUADKVPBXUFJLD-UHFFFAOYSA-N 1 0 319.405 3.400 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000589209427 400276546 /nfs/dbraw/zinc/27/65/46/400276546.db2.gz MSOOKGGYGGZTRA-CYBMUJFWSA-N 1 0 320.389 3.234 20 5 DGBDRO O=C(C[N@@H+]1CCC[C@@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595838277 400277458 /nfs/dbraw/zinc/27/74/58/400277458.db2.gz UQWZNZRJXKFZGJ-CQSZACIVSA-N 1 0 317.389 3.045 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(CO)CCCCC1 ZINC000610583475 400277676 /nfs/dbraw/zinc/27/76/76/400277676.db2.gz VKUTVGGWLDTVQA-SOFGYWHQSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000601267402 400278840 /nfs/dbraw/zinc/27/88/40/400278840.db2.gz XKFRMGBCSASLJG-XIRDDKMYSA-N 1 0 316.401 3.075 20 5 DGBDRO Cc1c(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cccc1[N+](=O)[O-] ZINC000601277433 400281592 /nfs/dbraw/zinc/28/15/92/400281592.db2.gz FDIVMYWRDLDREI-XIRDDKMYSA-N 1 0 316.401 3.341 20 5 DGBDRO C[N@@H+]1CCC[C@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000068722739 400282171 /nfs/dbraw/zinc/28/21/71/400282171.db2.gz NVEROZOGIVIFIV-SNVBAGLBSA-N 1 0 317.311 3.367 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000030269497 400323353 /nfs/dbraw/zinc/32/33/53/400323353.db2.gz IYVCAHMBGCWCGD-GFCCVEGCSA-N 1 0 323.393 3.052 20 5 DGBDRO [NH3+]C[C@H]1CCc2ccccc2N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595902635 400290529 /nfs/dbraw/zinc/29/05/29/400290529.db2.gz BYSNZOUWNLWHQB-CYBMUJFWSA-N 1 0 315.348 3.014 20 5 DGBDRO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CC1(C)C ZINC000595910935 400292519 /nfs/dbraw/zinc/29/25/19/400292519.db2.gz DTHKVLIEZZFAGM-GFCCVEGCSA-N 1 0 316.361 3.123 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](CC(C)C)C2CC2)c1 ZINC000589495979 400300606 /nfs/dbraw/zinc/30/06/06/400300606.db2.gz SPOOGLGDMRCBCU-UHFFFAOYSA-N 1 0 306.362 3.002 20 5 DGBDRO CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)(C)C ZINC000589737215 400324138 /nfs/dbraw/zinc/32/41/38/400324138.db2.gz XOWKGFNUHCNQPM-UHFFFAOYSA-N 1 0 308.378 3.234 20 5 DGBDRO CCOC(=O)C1(N(C)Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000610788390 400306307 /nfs/dbraw/zinc/30/63/07/400306307.db2.gz IHPHTIYDCTUQQJ-UHFFFAOYSA-N 1 0 320.389 3.293 20 5 DGBDRO CCC(CC)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596070137 400308962 /nfs/dbraw/zinc/30/89/62/400308962.db2.gz OBUGWDBOWLAYJZ-CQSZACIVSA-N 1 0 322.409 3.008 20 5 DGBDRO C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000610805593 400309322 /nfs/dbraw/zinc/30/93/22/400309322.db2.gz UCVULXMJVYUHNY-CQSZACIVSA-N 1 0 311.385 3.261 20 5 DGBDRO C[N@H+](CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000596088384 400314014 /nfs/dbraw/zinc/31/40/14/400314014.db2.gz QHYLHHXCPJNMHB-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCOCCF)c2ccccc2)c1 ZINC000596092186 400315639 /nfs/dbraw/zinc/31/56/39/400315639.db2.gz BWUCQNNJFRNWKE-KRWDZBQOSA-N 1 0 318.348 3.260 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595782080 400258019 /nfs/dbraw/zinc/25/80/19/400258019.db2.gz HASFETSEEPXTFF-ZIAGYGMSSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000611335742 400379362 /nfs/dbraw/zinc/37/93/62/400379362.db2.gz YMJWHRTYRDWDBI-CYBMUJFWSA-N 1 0 315.373 3.336 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCCCC1 ZINC000611336635 400379987 /nfs/dbraw/zinc/37/99/87/400379987.db2.gz VXNWANVENIYOGY-OAHLLOKOSA-N 1 0 320.433 3.448 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000072520428 400384933 /nfs/dbraw/zinc/38/49/33/400384933.db2.gz FVEPBOOFUFHHEM-INIZCTEOSA-N 1 0 312.373 3.239 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000610946684 400326977 /nfs/dbraw/zinc/32/69/77/400326977.db2.gz BOGBHGAMMKNOTB-YPMHNXCESA-N 1 0 307.419 3.109 20 5 DGBDRO CC[N@H+](CCNc1ccsc1[N+](=O)[O-])CCC(F)(F)F ZINC000617210284 400330544 /nfs/dbraw/zinc/33/05/44/400330544.db2.gz LBKBQSNHVUCTDC-UHFFFAOYSA-N 1 0 311.329 3.343 20 5 DGBDRO COc1cc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1C ZINC000596212952 400351613 /nfs/dbraw/zinc/35/16/13/400351613.db2.gz PBPGGLXMUXKLCY-UHFFFAOYSA-N 1 0 319.405 3.198 20 5 DGBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ncc([N+](=O)[O-])s1)CC2 ZINC000596256003 400362538 /nfs/dbraw/zinc/36/25/38/400362538.db2.gz VWSMLYUDJNBODE-UHFFFAOYSA-N 1 0 324.450 3.142 20 5 DGBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000590173149 400366809 /nfs/dbraw/zinc/36/68/09/400366809.db2.gz CIPKUXJPDBYIKQ-ZDUSSCGKSA-N 1 0 320.311 3.374 20 5 DGBDRO CCC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)C ZINC000611255676 400366858 /nfs/dbraw/zinc/36/68/58/400366858.db2.gz PCTZGUNSWJYWMX-UHFFFAOYSA-N 1 0 308.378 3.234 20 5 DGBDRO CC[N@H+](CCCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596290093 400372015 /nfs/dbraw/zinc/37/20/15/400372015.db2.gz JLKCLHYKWVNLTA-UHFFFAOYSA-N 1 0 322.409 3.152 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000596308764 400376930 /nfs/dbraw/zinc/37/69/30/400376930.db2.gz NMXVBJQNARAYDJ-LBPRGKRZSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)[NH+](C)C ZINC000596431117 400413480 /nfs/dbraw/zinc/41/34/80/400413480.db2.gz MWXZDOSZOBNWAY-SECBINFHSA-N 1 0 305.300 3.366 20 5 DGBDRO C[C@H](CCNc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000596431921 400413496 /nfs/dbraw/zinc/41/34/96/400413496.db2.gz PABOXUYAIKAQRB-SECBINFHSA-N 1 0 316.199 3.109 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000041887686 400415914 /nfs/dbraw/zinc/41/59/14/400415914.db2.gz SONYROTWEDONRH-UHFFFAOYSA-N 1 0 319.386 3.117 20 5 DGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072697556 400398885 /nfs/dbraw/zinc/39/88/85/400398885.db2.gz OEOUOTHYDWMEEK-DGCLKSJQSA-N 1 0 316.361 3.265 20 5 DGBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCOCC1 ZINC000611434391 400400993 /nfs/dbraw/zinc/40/09/93/400400993.db2.gz BFWYPQKXPGFOMR-CYBMUJFWSA-N 1 0 319.361 3.031 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000611447584 400402944 /nfs/dbraw/zinc/40/29/44/400402944.db2.gz IVTNQQFILZVKLZ-UHFFFAOYSA-N 1 0 317.414 3.262 20 5 DGBDRO CC1(C)CC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611464623 400405824 /nfs/dbraw/zinc/40/58/24/400405824.db2.gz VFRZTQQPZITLLV-LBPRGKRZSA-N 1 0 306.362 3.034 20 5 DGBDRO Cc1cc(NC[C@]2(C)CC2(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596479923 400424365 /nfs/dbraw/zinc/42/43/65/400424365.db2.gz XBQFEHBJVKUJIC-AWEZNQCLSA-N 1 0 307.300 3.331 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000590689652 400416053 /nfs/dbraw/zinc/41/60/53/400416053.db2.gz SWGNNFAMIRLAHV-ZDUSSCGKSA-N 1 0 312.373 3.039 20 5 DGBDRO C[C@H](Nc1cccnc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611583546 400427164 /nfs/dbraw/zinc/42/71/64/400427164.db2.gz MZZKANLJLYRKRQ-STQMWFEESA-N 1 0 304.394 3.055 20 5 DGBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000596562717 400444999 /nfs/dbraw/zinc/44/49/99/400444999.db2.gz ORYAKLLAGXAOKJ-UHFFFAOYSA-N 1 0 324.812 3.177 20 5 DGBDRO CCC[N@@H+]1CC[C@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596518840 400436652 /nfs/dbraw/zinc/43/66/52/400436652.db2.gz XJDLHELHMFQWKR-JTQLQIEISA-N 1 0 313.785 3.153 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc(F)cc2F)cc1 ZINC000611714311 400440807 /nfs/dbraw/zinc/44/08/07/400440807.db2.gz DLXNIRLVYLMLRV-UHFFFAOYSA-N 1 0 306.312 3.248 20 5 DGBDRO CC[C@H](CCO)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602571682 400500172 /nfs/dbraw/zinc/50/01/72/400500172.db2.gz BREGYNTXGDODGG-SNVBAGLBSA-N 1 0 320.311 3.112 20 5 DGBDRO CC(C)C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602584729 400505032 /nfs/dbraw/zinc/50/50/32/400505032.db2.gz KBGJKYQOMLJADL-RDJZCZTQSA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1cc(N2CCCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611930390 400464436 /nfs/dbraw/zinc/46/44/36/400464436.db2.gz MIOSQFSWEQMDED-UHFFFAOYSA-N 1 0 315.373 3.457 20 5 DGBDRO CO[C@](C)([C@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591048125 400479749 /nfs/dbraw/zinc/47/97/49/400479749.db2.gz AOJVFUVBTYDMOJ-SUMWQHHRSA-N 1 0 322.405 3.157 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC1CCCCC1 ZINC000043999761 400482592 /nfs/dbraw/zinc/48/25/92/400482592.db2.gz XIPUIRDUWLPFRB-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2N)cc1[N+](=O)[O-] ZINC000602562918 400496931 /nfs/dbraw/zinc/49/69/31/400496931.db2.gz KGVLRDUUOWSPLD-NSHDSACASA-N 1 0 303.337 3.475 20 5 DGBDRO COc1cc(C[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccn1 ZINC000602633982 400518569 /nfs/dbraw/zinc/51/85/69/400518569.db2.gz NGLQAKDGBFPYOW-LBPRGKRZSA-N 1 0 315.373 3.028 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])c(C)s1 ZINC000602798853 400577633 /nfs/dbraw/zinc/57/76/33/400577633.db2.gz GCPDSMADBSQTPP-SNVBAGLBSA-N 1 0 308.407 3.129 20 5 DGBDRO Cc1cc(NCCCC[N@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000074740935 400531389 /nfs/dbraw/zinc/53/13/89/400531389.db2.gz BIUHAZMVFFIHHC-ZDUSSCGKSA-N 1 0 306.410 3.222 20 5 DGBDRO CCC(CC)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602671492 400533087 /nfs/dbraw/zinc/53/30/87/400533087.db2.gz UNISFMAZEBNTOF-UHFFFAOYSA-N 1 0 307.350 3.031 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](C3CC3)C3CCC3)nc2c1 ZINC000602688524 400539319 /nfs/dbraw/zinc/53/93/19/400539319.db2.gz SLADSNUQWHWUBM-INIZCTEOSA-N 1 0 301.346 3.404 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](C3CC3)C3CCC3)nc2c1 ZINC000602688528 400539647 /nfs/dbraw/zinc/53/96/47/400539647.db2.gz SLADSNUQWHWUBM-MRXNPFEDSA-N 1 0 301.346 3.404 20 5 DGBDRO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(F)(F)F ZINC000602690003 400539735 /nfs/dbraw/zinc/53/97/35/400539735.db2.gz HZGRCDCJIQHSJD-MRVPVSSYSA-N 1 0 317.267 3.414 20 5 DGBDRO COCCCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602693183 400540974 /nfs/dbraw/zinc/54/09/74/400540974.db2.gz CBDFOKDAYQBLIF-UHFFFAOYSA-N 1 0 320.311 3.472 20 5 DGBDRO CC[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582669 400542400 /nfs/dbraw/zinc/54/24/00/400542400.db2.gz SSEBEHDJMKUTEI-HOCLYGCPSA-N 1 0 303.406 3.310 20 5 DGBDRO Cc1ccc([C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591582694 400543103 /nfs/dbraw/zinc/54/31/03/400543103.db2.gz UFTRWLMOPQWBQS-ZFWWWQNUSA-N 1 0 303.406 3.229 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597060965 400549946 /nfs/dbraw/zinc/54/99/46/400549946.db2.gz XXZVXMBPLYPMJU-DOTOQJQBSA-N 1 0 304.390 3.075 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000132083684 400555910 /nfs/dbraw/zinc/55/59/10/400555910.db2.gz KWMGHCJHSAMXMC-WMLDXEAASA-N 1 0 314.385 3.157 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3C3CCC3)nc2c1 ZINC000618279264 400558220 /nfs/dbraw/zinc/55/82/20/400558220.db2.gz HNJZZOQWIHHKCF-HNNXBMFYSA-N 1 0 300.362 3.236 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000602806091 400580719 /nfs/dbraw/zinc/58/07/19/400580719.db2.gz ORVNOQPUQHCQHF-UHFFFAOYSA-N 1 0 320.780 3.032 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1C)C1CC1 ZINC000602769133 400569411 /nfs/dbraw/zinc/56/94/11/400569411.db2.gz MYWPJRLSOUHFSN-UHFFFAOYSA-N 1 0 314.389 3.073 20 5 DGBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592380711 400642556 /nfs/dbraw/zinc/64/25/56/400642556.db2.gz PWLKIALUMATEOO-LDYMZIIASA-N 1 0 318.345 3.180 20 5 DGBDRO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000076004752 400626404 /nfs/dbraw/zinc/62/64/04/400626404.db2.gz UNRPCGILSXIUFP-GJZGRUSLSA-N 1 0 305.422 3.320 20 5 DGBDRO COCC1(C2CCC2)C[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000597192443 400582141 /nfs/dbraw/zinc/58/21/41/400582141.db2.gz RHPZONIJYFZDKE-UHFFFAOYSA-N 1 0 304.390 3.152 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000602819121 400584582 /nfs/dbraw/zinc/58/45/82/400584582.db2.gz YZKHIUMAMASXNU-LLVKDONJSA-N 1 0 314.345 3.197 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000597225055 400592959 /nfs/dbraw/zinc/59/29/59/400592959.db2.gz MKZBSHNCLCZLDJ-XZVYODRBSA-N 1 0 304.390 3.497 20 5 DGBDRO COc1ccccc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000138381552 400598927 /nfs/dbraw/zinc/59/89/27/400598927.db2.gz QJKUQPFKWDEIAP-UHFFFAOYSA-N 1 0 300.358 3.278 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000592134926 400611011 /nfs/dbraw/zinc/61/10/11/400611011.db2.gz UELVXMMDUBUTKT-SWLSCSKDSA-N 1 0 308.353 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CO)cc1)CCC2 ZINC000592392901 400644008 /nfs/dbraw/zinc/64/40/08/400644008.db2.gz HCENSGKBHIDJSD-GOSISDBHSA-N 1 0 312.369 3.254 20 5 DGBDRO CC[C@@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592427655 400647741 /nfs/dbraw/zinc/64/77/41/400647741.db2.gz NNCJEYKMITWTQM-GDBMZVCRSA-N 1 0 305.422 3.277 20 5 DGBDRO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC12CCCCC2 ZINC000613188900 400670111 /nfs/dbraw/zinc/67/01/11/400670111.db2.gz NCRGTHVMNXMZAO-AWEZNQCLSA-N 1 0 306.410 3.084 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000151853706 400676744 /nfs/dbraw/zinc/67/67/44/400676744.db2.gz QFPQRFIQZFSHQJ-HZPDHXFCSA-N 1 0 304.390 3.422 20 5 DGBDRO Cc1nc(N(C)CCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000603423947 400685197 /nfs/dbraw/zinc/68/51/97/400685197.db2.gz RRNDDWADBSUNAS-UHFFFAOYSA-N 1 0 306.410 3.001 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000077467285 400718606 /nfs/dbraw/zinc/71/86/06/400718606.db2.gz LCEAQQIAHVOFMQ-INIZCTEOSA-N 1 0 300.358 3.198 20 5 DGBDRO Cc1nccc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603834278 400720907 /nfs/dbraw/zinc/72/09/07/400720907.db2.gz OHUUDJVGESFFPT-OAHLLOKOSA-N 1 0 312.373 3.073 20 5 DGBDRO Cc1nccc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000603834190 400720972 /nfs/dbraw/zinc/72/09/72/400720972.db2.gz KOBGMWXSIYZCOJ-OAHLLOKOSA-N 1 0 312.373 3.073 20 5 DGBDRO CC[NH+](CC)Cc1ccccc1CNc1cccnc1[N+](=O)[O-] ZINC000603844370 400722016 /nfs/dbraw/zinc/72/20/16/400722016.db2.gz CTMMQEUYFCQBHD-UHFFFAOYSA-N 1 0 314.389 3.444 20 5 DGBDRO CC(C)O[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593055907 400747252 /nfs/dbraw/zinc/74/72/52/400747252.db2.gz UHMSOWHXGNDWPV-KRWDZBQOSA-N 1 0 322.405 3.253 20 5 DGBDRO Cc1cccn2cc(CC[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)nc12 ZINC000156282464 400709685 /nfs/dbraw/zinc/70/96/85/400709685.db2.gz LOKZEIPUYSDZFB-CQSZACIVSA-N 1 0 324.384 3.444 20 5 DGBDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171842457 400808099 /nfs/dbraw/zinc/80/80/99/400808099.db2.gz KGNUBBIBKWUOAW-QGZVFWFLSA-N 1 0 318.373 3.351 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000078576760 400811965 /nfs/dbraw/zinc/81/19/65/400811965.db2.gz BIBGYKMNNCJFIA-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1cnc(NCCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000078631257 400816326 /nfs/dbraw/zinc/81/63/26/400816326.db2.gz FAAIOFZCGWMNKE-UHFFFAOYSA-N 1 0 306.410 3.222 20 5 DGBDRO CCCC[N@H+](C)CC1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078632667 400816567 /nfs/dbraw/zinc/81/65/67/400816567.db2.gz OTXAZGIJBVYOEZ-UHFFFAOYSA-N 1 0 320.437 3.247 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000604539808 400784949 /nfs/dbraw/zinc/78/49/49/400784949.db2.gz KOCXUCCQDUDOTK-CYBMUJFWSA-N 1 0 314.389 3.110 20 5 DGBDRO CO[C@@]1(C)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000619433472 400847337 /nfs/dbraw/zinc/84/73/37/400847337.db2.gz DKSSBOFFIAXMLZ-AFCDSYGPSA-N 1 0 304.390 3.499 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000599062851 400944154 /nfs/dbraw/zinc/94/41/54/400944154.db2.gz VPOBUDASBSSWSZ-DGCLKSJQSA-N 1 0 312.373 3.180 20 5 DGBDRO COc1cccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1F ZINC000619715374 400893427 /nfs/dbraw/zinc/89/34/27/400893427.db2.gz BKDSOFKOKWDUNY-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO COc1cc(C[NH2+]CC[C@H]2CC=CCC2)c([N+](=O)[O-])cc1O ZINC000598998547 400924140 /nfs/dbraw/zinc/92/41/40/400924140.db2.gz BQQWWAOUOWMRJV-LBPRGKRZSA-N 1 0 306.362 3.145 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)s1 ZINC000599005993 400925259 /nfs/dbraw/zinc/92/52/59/400925259.db2.gz AKKQKSKPQQTOCM-TXEJJXNPSA-N 1 0 318.398 3.184 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000599011026 400926676 /nfs/dbraw/zinc/92/66/76/400926676.db2.gz WNFKOVHANADDFW-XENLGGRHSA-N 1 0 302.374 3.155 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1CCC(C)CC1 ZINC000198202684 400929220 /nfs/dbraw/zinc/92/92/20/400929220.db2.gz QPUXIOHQIIIGOB-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000599032628 400933098 /nfs/dbraw/zinc/93/30/98/400933098.db2.gz UTYPWFGKCFEDKY-WMLDXEAASA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000599039611 400934000 /nfs/dbraw/zinc/93/40/00/400934000.db2.gz BWEDFWMFAKFSIG-NSHDSACASA-N 1 0 300.362 3.038 20 5 DGBDRO COC(=O)CC1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000599037979 400934172 /nfs/dbraw/zinc/93/41/72/400934172.db2.gz LSKUYNJWYSOOOG-HSBZDZAISA-N 1 0 320.389 3.367 20 5 DGBDRO CC(=O)c1cc(NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599163553 400982593 /nfs/dbraw/zinc/98/25/93/400982593.db2.gz DFWINHDLAZOPEA-OAHLLOKOSA-N 1 0 317.389 3.226 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000599090695 400957290 /nfs/dbraw/zinc/95/72/90/400957290.db2.gz GYILMNFREYXAEM-MELADBBJSA-N 1 0 324.446 3.480 20 5 DGBDRO CCC(CC)[NH2+]CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599097085 400958171 /nfs/dbraw/zinc/95/81/71/400958171.db2.gz FZMZUIASTBTHSV-UHFFFAOYSA-N 1 0 302.378 3.333 20 5 DGBDRO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000599093115 400958329 /nfs/dbraw/zinc/95/83/29/400958329.db2.gz VVERCBCODVQDBQ-DIECFANBSA-N 1 0 318.417 3.321 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599099003 400960164 /nfs/dbraw/zinc/96/01/64/400960164.db2.gz QQDNERAXIMHCAQ-CYBMUJFWSA-N 1 0 314.389 3.428 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000057681889 401018496 /nfs/dbraw/zinc/01/84/96/401018496.db2.gz YDUSXAMSJJGPAI-MRXNPFEDSA-N 1 0 314.389 3.485 20 5 DGBDRO C[C@H]1C[C@@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000599444466 401051270 /nfs/dbraw/zinc/05/12/70/401051270.db2.gz XFXRSRLVPVSLPG-ORQFMDKSSA-N 1 0 318.417 3.356 20 5 DGBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000058604558 401061949 /nfs/dbraw/zinc/06/19/49/401061949.db2.gz UXIPGSBEHHTOPU-OAHLLOKOSA-N 1 0 306.410 3.302 20 5 DGBDRO COCCC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599507481 401062490 /nfs/dbraw/zinc/06/24/90/401062490.db2.gz WSZSZHJQSADWPJ-UHFFFAOYSA-N 1 0 322.405 3.112 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000599551765 401074319 /nfs/dbraw/zinc/07/43/19/401074319.db2.gz AZWPWOPJPKNSNE-UHFFFAOYSA-N 1 0 300.305 3.225 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2NCCC[NH+]1CCCCC1 ZINC000594490629 401078637 /nfs/dbraw/zinc/07/86/37/401078637.db2.gz NYTMXBPBURBBKS-MRXNPFEDSA-N 1 0 303.406 3.048 20 5 DGBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000599656998 401104267 /nfs/dbraw/zinc/10/42/67/401104267.db2.gz AHXXKUVKLIXSMV-KRWDZBQOSA-N 1 0 321.421 3.144 20 5 DGBDRO CC(=O)c1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594596595 401122247 /nfs/dbraw/zinc/12/22/47/401122247.db2.gz ARQIZBKHLHTRKP-NVXWUHKLSA-N 1 0 317.389 3.226 20 5 DGBDRO CC(=O)c1cc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594596587 401122499 /nfs/dbraw/zinc/12/24/99/401122499.db2.gz ARQIZBKHLHTRKP-DOTOQJQBSA-N 1 0 317.389 3.226 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594601231 401124905 /nfs/dbraw/zinc/12/49/05/401124905.db2.gz MTLOUWMXFPZBOE-NWDGAFQWSA-N 1 0 310.785 3.072 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594601230 401125240 /nfs/dbraw/zinc/12/52/40/401125240.db2.gz MTLOUWMXFPZBOE-NEPJUHHUSA-N 1 0 310.785 3.072 20 5 DGBDRO CC(=O)c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594600559 401125516 /nfs/dbraw/zinc/12/55/16/401125516.db2.gz MBLYXTPKNQISAM-ZBFHGGJFSA-N 1 0 317.389 3.226 20 5 DGBDRO CCOc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594600008 401125941 /nfs/dbraw/zinc/12/59/41/401125941.db2.gz LBNBCUGBBONJEM-CABCVRRESA-N 1 0 319.405 3.422 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1[N+](=O)[O-] ZINC000594614463 401136093 /nfs/dbraw/zinc/13/60/93/401136093.db2.gz WRNAOSYVEVZNTK-MRXNPFEDSA-N 1 0 304.390 3.437 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000271154956 401136943 /nfs/dbraw/zinc/13/69/43/401136943.db2.gz RAHYFDOTGZLCEJ-BHPKHCPMSA-N 1 0 322.430 3.375 20 5 DGBDRO C[C@@H](O)C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000594616138 401138172 /nfs/dbraw/zinc/13/81/72/401138172.db2.gz SEVSYUBQRWFCGI-GFCCVEGCSA-N 1 0 316.357 3.200 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2c2ccccc2)n1 ZINC000273837761 401141144 /nfs/dbraw/zinc/14/11/44/401141144.db2.gz INRVMHUHUKIUTK-OAHLLOKOSA-N 1 0 300.362 3.019 20 5 DGBDRO CC(=O)c1ccc(NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000061174417 401148543 /nfs/dbraw/zinc/14/85/43/401148543.db2.gz AFFHDOOEHLUEAS-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CO[C@@]1(C)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280346354 401151638 /nfs/dbraw/zinc/15/16/38/401151638.db2.gz IRWZGDYPMPOIDS-KRWDZBQOSA-N 1 0 322.405 3.255 20 5 DGBDRO CCO[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000615833755 401161101 /nfs/dbraw/zinc/16/11/01/401161101.db2.gz NYNCAPGMYLWRCS-OOXMNIKJSA-N 1 0 304.390 3.499 20 5 DGBDRO COc1ccc(OCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000061784236 401165340 /nfs/dbraw/zinc/16/53/40/401165340.db2.gz WFJAQNNMOLTFMD-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000358284329 286020263 /nfs/dbraw/zinc/02/02/63/286020263.db2.gz HEAFJXDVKFJYTL-UHFFFAOYSA-N 1 0 314.769 3.070 20 5 DGBDRO COCc1csc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000594918372 401189284 /nfs/dbraw/zinc/18/92/84/401189284.db2.gz QMJPGKSHALNYMU-UHFFFAOYSA-N 1 0 322.386 3.101 20 5 DGBDRO CCCn1nccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000594930590 401194528 /nfs/dbraw/zinc/19/45/28/401194528.db2.gz XFIZCHVQWXDYIN-UHFFFAOYSA-N 1 0 316.405 3.314 20 5 DGBDRO CCCn1nccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000594934551 401197715 /nfs/dbraw/zinc/19/77/15/401197715.db2.gz CBHKSJZNXNLFRP-UHFFFAOYSA-N 1 0 302.378 3.226 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC[NH+]1CCCCC1 ZINC000595004335 401225986 /nfs/dbraw/zinc/22/59/86/401225986.db2.gz PGHKTVOTKOUEAH-CQSZACIVSA-N 1 0 321.421 3.130 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000594979639 401217447 /nfs/dbraw/zinc/21/74/47/401217447.db2.gz KWUSMOFYBWPGGN-HNNXBMFYSA-N 1 0 314.341 3.086 20 5 DGBDRO CO[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000594995703 401222511 /nfs/dbraw/zinc/22/25/11/401222511.db2.gz TYLVRRUOOWEYAN-BHMZLHOFSA-N 1 0 304.390 3.403 20 5 DGBDRO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCCC1 ZINC000064014441 401226325 /nfs/dbraw/zinc/22/63/25/401226325.db2.gz OFKGJVQQIXXJTB-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000064029200 401226345 /nfs/dbraw/zinc/22/63/45/401226345.db2.gz SOTHSVTZKZBEEA-NSHDSACASA-N 1 0 307.375 3.498 20 5 DGBDRO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000090795828 401273424 /nfs/dbraw/zinc/27/34/24/401273424.db2.gz XOUMMASRTUQLBJ-ACJLOTCBSA-N 1 0 312.369 3.079 20 5 DGBDRO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595008751 401229441 /nfs/dbraw/zinc/22/94/41/401229441.db2.gz QLANZHAJXKIUGA-QWHCGFSZSA-N 1 0 310.394 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@H+](C)C1CCCC1 ZINC000595012864 401230747 /nfs/dbraw/zinc/23/07/47/401230747.db2.gz PKMXUJXLYVEDKW-ZDUSSCGKSA-N 1 0 321.421 3.128 20 5 DGBDRO COCCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000595018363 401233918 /nfs/dbraw/zinc/23/39/18/401233918.db2.gz MZJIJTIQDFDKCM-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020077 401235969 /nfs/dbraw/zinc/23/59/69/401235969.db2.gz TVNIQOFMWAXOJI-DZGCQCFKSA-N 1 0 321.421 3.128 20 5 DGBDRO CCC(=O)c1ccc(NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000358942985 286193879 /nfs/dbraw/zinc/19/38/79/286193879.db2.gz CLPXGHZZSGABIW-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CCC(=O)c1ccc(NC[C@H]2CCC[N@H+]2CC)c([N+](=O)[O-])c1 ZINC000359374146 286295301 /nfs/dbraw/zinc/29/53/01/286295301.db2.gz WKCXFTUNEBGALM-CYBMUJFWSA-N 1 0 305.378 3.084 20 5 DGBDRO CC(C)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000359992623 286404775 /nfs/dbraw/zinc/40/47/75/286404775.db2.gz NOEVLFCAJJYRDH-UHFFFAOYSA-N 1 0 311.813 3.022 20 5 DGBDRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000273257033 287063932 /nfs/dbraw/zinc/06/39/32/287063932.db2.gz HOSYAHPPKBVLQT-IUODEOHRSA-N 1 0 319.405 3.070 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H](COC)C2)ccc1[N+](=O)[O-] ZINC000365194738 287108617 /nfs/dbraw/zinc/10/86/17/287108617.db2.gz YPRMLPCCBCFXSU-OAHLLOKOSA-N 1 0 322.405 3.242 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192800632 165305983 /nfs/dbraw/zinc/30/59/83/165305983.db2.gz NUTREWBQPWAUTC-DOMZBBRYSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@@H]1CCC[C@@](CNCc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000237598649 165434838 /nfs/dbraw/zinc/43/48/38/165434838.db2.gz LAMVMTIISNEPBM-RHSMWYFYSA-N 1 0 305.422 3.195 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000365520714 287141650 /nfs/dbraw/zinc/14/16/50/287141650.db2.gz ZLFRJKJGNXDQSA-UHFFFAOYSA-N 1 0 320.780 3.282 20 5 DGBDRO C[C@H]1CSCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000190468285 432160929 /nfs/dbraw/zinc/16/09/29/432160929.db2.gz JRWYPLQUFRCDCK-CYBMUJFWSA-N 1 0 310.419 3.049 20 5 DGBDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000182127991 432161346 /nfs/dbraw/zinc/16/13/46/432161346.db2.gz MCUIWKHILPPKEG-GFCCVEGCSA-N 1 0 313.357 3.404 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246739115 432161490 /nfs/dbraw/zinc/16/14/90/432161490.db2.gz PAVFIQWESXXNSX-SWLSCSKDSA-N 1 0 310.781 3.249 20 5 DGBDRO C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[C@@H]1[NH3+] ZINC000269244479 432155845 /nfs/dbraw/zinc/15/58/45/432155845.db2.gz DJAJVHUUMIMVCT-UGSOOPFHSA-N 1 0 319.408 3.197 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)nc1 ZINC000129659476 196066049 /nfs/dbraw/zinc/06/60/49/196066049.db2.gz SXYFFZHNHWULTF-UHFFFAOYSA-N 1 0 318.421 3.082 20 5 DGBDRO C[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675879 432194593 /nfs/dbraw/zinc/19/45/93/432194593.db2.gz CESXRBHDMMRXDI-MRXNPFEDSA-N 1 0 320.776 3.414 20 5 DGBDRO C[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269708881 432201205 /nfs/dbraw/zinc/20/12/05/432201205.db2.gz ORVSUTDLQSPZAM-ABAIWWIYSA-N 1 0 318.398 3.309 20 5 DGBDRO C[C@H](O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000130676677 196101029 /nfs/dbraw/zinc/10/10/29/196101029.db2.gz YHMHXIMQCSIEQH-NSHDSACASA-N 1 0 306.387 3.136 20 5 DGBDRO CC[C@H](C)N(C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247111867 432203533 /nfs/dbraw/zinc/20/35/33/432203533.db2.gz TVCNZAULTDSVFP-WMLDXEAASA-N 1 0 319.449 3.236 20 5 DGBDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000130908335 196121553 /nfs/dbraw/zinc/12/15/53/196121553.db2.gz FEGDMFVNDJFYJC-UHFFFAOYSA-N 1 0 322.796 3.275 20 5 DGBDRO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000247254068 432216547 /nfs/dbraw/zinc/21/65/47/432216547.db2.gz UFEXACGFIGGVCR-PBHICJAKSA-N 1 0 314.389 3.498 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000182794413 432228434 /nfs/dbraw/zinc/22/84/34/432228434.db2.gz WVSUUZPVYSVWNO-KBPBESRZSA-N 1 0 314.389 3.187 20 5 DGBDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000133967758 196350662 /nfs/dbraw/zinc/35/06/62/196350662.db2.gz OSOYQARNVHXNTE-QGZVFWFLSA-N 1 0 314.389 3.245 20 5 DGBDRO C[C@H](CCCO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000296626005 226064075 /nfs/dbraw/zinc/06/40/75/226064075.db2.gz XEAGAKBWLXSLOI-MLGOLLRUSA-N 1 0 306.406 3.315 20 5 DGBDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000291004181 222064973 /nfs/dbraw/zinc/06/49/73/222064973.db2.gz WGUUPBDBRVZSHO-AWEZNQCLSA-N 1 0 312.797 3.135 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@H]1SC ZINC000291388660 222358820 /nfs/dbraw/zinc/35/88/20/222358820.db2.gz CFEIVTOFWPLOOW-WXYCVUISSA-N 1 0 324.446 3.463 20 5 DGBDRO O=[N+]([O-])c1ccc(CN(CC[NH+]2CCCCC2)C2CC2)cc1 ZINC000130394739 292634011 /nfs/dbraw/zinc/63/40/11/292634011.db2.gz HXOOBZJYKKUGRO-UHFFFAOYSA-N 1 0 303.406 3.045 20 5 DGBDRO Cc1cc(NCC2CC[NH+](CCC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000301511559 229712996 /nfs/dbraw/zinc/71/29/96/229712996.db2.gz BMOOVPMZRDTXLX-UHFFFAOYSA-N 1 0 320.437 3.468 20 5 DGBDRO Cc1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000301816270 229916149 /nfs/dbraw/zinc/91/61/49/229916149.db2.gz JGPYJBGWURFNJR-OAHLLOKOSA-N 1 0 303.406 3.215 20 5 DGBDRO C[NH+](C)CC1(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000302145241 230123031 /nfs/dbraw/zinc/12/30/31/230123031.db2.gz HGXAQQHQSOSTSM-UHFFFAOYSA-N 1 0 322.365 3.037 20 5 DGBDRO C[C@@H]1[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000413249844 230166704 /nfs/dbraw/zinc/16/67/04/230166704.db2.gz UBBYIXJODSACBC-ABAIWWIYSA-N 1 0 300.362 3.038 20 5 DGBDRO Cc1cccc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302490415 230268211 /nfs/dbraw/zinc/26/82/11/230268211.db2.gz JVMNPEXGUXBHGS-GASCZTMLSA-N 1 0 321.421 3.205 20 5 DGBDRO CC[C@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179322536 263556420 /nfs/dbraw/zinc/55/64/20/263556420.db2.gz ZQQRXKOXVJOROY-LBPRGKRZSA-N 1 0 302.378 3.226 20 5 DGBDRO C[C@H](CCn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000184667785 263617225 /nfs/dbraw/zinc/61/72/25/263617225.db2.gz BBKMBWHNYQWCDO-LLVKDONJSA-N 1 0 308.769 3.013 20 5 DGBDRO CCC(CC)C[N@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000303561544 263890594 /nfs/dbraw/zinc/89/05/94/263890594.db2.gz AFEMOMJQWQXRJD-UHFFFAOYSA-N 1 0 321.421 3.316 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000315612513 263892055 /nfs/dbraw/zinc/89/20/55/263892055.db2.gz REQGKLKEAVBZQX-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CCc1ccc([C@@H]([NH2+]C[C@H](C)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346452790 264034349 /nfs/dbraw/zinc/03/43/49/264034349.db2.gz XZQMTUXODGXLGY-SJCJKPOMSA-N 1 0 318.373 3.058 20 5 DGBDRO CCc1ccc([C@@H]([NH2+]C[C@@H](C)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346452789 264034880 /nfs/dbraw/zinc/03/48/80/264034880.db2.gz XZQMTUXODGXLGY-PXAZEXFGSA-N 1 0 318.373 3.058 20 5 DGBDRO CSCC[C@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000346526166 264046748 /nfs/dbraw/zinc/04/67/48/264046748.db2.gz XPDLSUKRWQSCRA-ZDUSSCGKSA-N 1 0 312.435 3.437 20 5 DGBDRO C[C@H]1[NH2+]CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1C ZINC000346687447 264079846 /nfs/dbraw/zinc/07/98/46/264079846.db2.gz VVUBLFXVCAGUQL-CHWSQXEVSA-N 1 0 315.373 3.037 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346977384 264132096 /nfs/dbraw/zinc/13/20/96/264132096.db2.gz TUJFCAWJGGATPY-QGZVFWFLSA-N 1 0 313.357 3.206 20 5 DGBDRO C[NH2+]C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000347072574 264151996 /nfs/dbraw/zinc/15/19/96/264151996.db2.gz RDGLPLCBYDSUAL-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000347307991 264194519 /nfs/dbraw/zinc/19/45/19/264194519.db2.gz JYWJNJRXIZOEFG-IUODEOHRSA-N 1 0 323.824 3.307 20 5 DGBDRO C[C@@]1(F)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347336325 264199645 /nfs/dbraw/zinc/19/96/45/264199645.db2.gz ATEUOLHWEDADCX-MRXNPFEDSA-N 1 0 319.336 3.226 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347637836 264256487 /nfs/dbraw/zinc/25/64/87/264256487.db2.gz IOGOOSPSJVPTIP-RYUDHWBXSA-N 1 0 301.346 3.410 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCSC2)n1 ZINC000348199194 264363546 /nfs/dbraw/zinc/36/35/46/264363546.db2.gz OXEGKDVFXGLSOQ-HZSPNIEDSA-N 1 0 324.450 3.008 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CN(C)C ZINC000348293491 264384036 /nfs/dbraw/zinc/38/40/36/264384036.db2.gz PICPNSQTEZESBR-OLZOCXBDSA-N 1 0 311.451 3.005 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CN(C)C ZINC000348293489 264384211 /nfs/dbraw/zinc/38/42/11/264384211.db2.gz PICPNSQTEZESBR-CHWSQXEVSA-N 1 0 311.451 3.005 20 5 DGBDRO CC(C)c1ccc(CN(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000349034708 264480615 /nfs/dbraw/zinc/48/06/15/264480615.db2.gz FLNBXEASCAAXIQ-UHFFFAOYSA-N 1 0 305.422 3.246 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1CC[NH3+] ZINC000352494901 265070105 /nfs/dbraw/zinc/07/01/05/265070105.db2.gz GRVOIQKEBKBRQG-HNNXBMFYSA-N 1 0 321.421 3.085 20 5 DGBDRO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000352791831 265169557 /nfs/dbraw/zinc/16/95/57/265169557.db2.gz JGZOKBMKTSGASA-GOEBONIOSA-N 1 0 314.389 3.265 20 5 DGBDRO CC[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)OC ZINC000353154214 265320354 /nfs/dbraw/zinc/32/03/54/265320354.db2.gz NZJVWPVUKUTFBS-GFCCVEGCSA-N 1 0 304.346 3.369 20 5 DGBDRO CC[NH+](CC)CCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611706704 425081002 /nfs/dbraw/zinc/08/10/02/425081002.db2.gz AQBDYQVAHSTSPX-UHFFFAOYSA-N 1 0 317.393 3.072 20 5 DGBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000367640975 271057326 /nfs/dbraw/zinc/05/73/26/271057326.db2.gz BDEWJPTVSRFNQW-UHFFFAOYSA-N 1 0 309.797 3.313 20 5 DGBDRO C[N@@H+]1CCCC12CCN(c1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000367843143 271085349 /nfs/dbraw/zinc/08/53/49/271085349.db2.gz MCZVCLBMQYYZQZ-UHFFFAOYSA-N 1 0 309.797 3.313 20 5 DGBDRO C[C@H](c1ccccc1F)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369689217 271310680 /nfs/dbraw/zinc/31/06/80/271310680.db2.gz AYFBNLZJZQHQDR-GFCCVEGCSA-N 1 0 318.352 3.329 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000370647408 271377402 /nfs/dbraw/zinc/37/74/02/271377402.db2.gz HDSRKZJXYUFVCU-NVXWUHKLSA-N 1 0 320.389 3.039 20 5 DGBDRO C[NH+](C)C[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000124607893 273798807 /nfs/dbraw/zinc/79/88/07/273798807.db2.gz MIDNGXIPKIFHIU-VIFPVBQESA-N 1 0 318.204 3.290 20 5 DGBDRO COCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000341161667 274025148 /nfs/dbraw/zinc/02/51/48/274025148.db2.gz HJIOKPUIMJRFQU-UHFFFAOYSA-N 1 0 300.786 3.353 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412041443 274203098 /nfs/dbraw/zinc/20/30/98/274203098.db2.gz LIJNQRSDDUEJHY-NEPJUHHUSA-N 1 0 305.378 3.042 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344001330 274203199 /nfs/dbraw/zinc/20/31/99/274203199.db2.gz YLUPZYRCPYNTCH-GXTWGEPZSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000302855899 274226325 /nfs/dbraw/zinc/22/63/25/274226325.db2.gz RXCNUQLWUBJTHU-OLZOCXBDSA-N 1 0 318.421 3.095 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344416326 274286586 /nfs/dbraw/zinc/28/65/86/274286586.db2.gz IMWUIBGAIJTNRH-HUUCEWRRSA-N 1 0 318.421 3.081 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000451090752 274353991 /nfs/dbraw/zinc/35/39/91/274353991.db2.gz UOUJWOYCWDWZPN-GFCCVEGCSA-N 1 0 323.824 3.164 20 5 DGBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000277872645 274379863 /nfs/dbraw/zinc/37/98/63/274379863.db2.gz NMRJFFROOABLMZ-DYVFJYSZSA-N 1 0 323.392 3.461 20 5 DGBDRO [NH3+][C@@H]1CC[C@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000420225541 274959699 /nfs/dbraw/zinc/95/96/99/274959699.db2.gz DRSMJJDSIDXSLJ-OVYXKVPISA-N 1 0 316.188 3.075 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420258185 275033307 /nfs/dbraw/zinc/03/33/07/275033307.db2.gz JSMBPACPOYFEQS-KWQFWETISA-N 1 0 316.188 3.090 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC(F)(F)F)CCCC2 ZINC000417316322 275038236 /nfs/dbraw/zinc/03/82/36/275038236.db2.gz AUACFTIAIQCBQU-CYBMUJFWSA-N 1 0 318.295 3.488 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C1CCC1)CCCC2 ZINC000417353576 275038314 /nfs/dbraw/zinc/03/83/14/275038314.db2.gz XMVLYLYHWBJSFI-SJORKVTESA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000278222875 275038449 /nfs/dbraw/zinc/03/84/49/275038449.db2.gz JFVSQYDKXNJGFC-KURKYZTESA-N 1 0 315.417 3.189 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000114467781 275039183 /nfs/dbraw/zinc/03/91/83/275039183.db2.gz YLUXODMMXYKEPC-SFHVURJKSA-N 1 0 312.369 3.077 20 5 DGBDRO O[C@]1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CCOC1 ZINC000270012965 275060146 /nfs/dbraw/zinc/06/01/46/275060146.db2.gz UVMQHUIMRPODAU-FQEVSTJZSA-N 1 0 307.393 3.234 20 5 DGBDRO CCC[C@@]1(CO)CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000288671820 276036792 /nfs/dbraw/zinc/03/67/92/276036792.db2.gz CGTQAHWNXZTHTF-WMLDXEAASA-N 1 0 306.406 3.449 20 5 DGBDRO CC(C)c1ccc(-c2nc(C3([NH3+])CCCC3)no2)cc1[N+](=O)[O-] ZINC000414615394 276047908 /nfs/dbraw/zinc/04/79/08/276047908.db2.gz ILYVWXBGCBDQPY-UHFFFAOYSA-N 1 0 316.361 3.496 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1nc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000123062017 276113756 /nfs/dbraw/zinc/11/37/56/276113756.db2.gz HJAVEJNRYBZMIH-AWEZNQCLSA-N 1 0 318.377 3.386 20 5 DGBDRO CCC[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427864776 276272301 /nfs/dbraw/zinc/27/23/01/276272301.db2.gz FTHOJMZCTGHCRK-GOEBONIOSA-N 1 0 314.389 3.237 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)CC(C)C ZINC000470867668 429711337 /nfs/dbraw/zinc/71/13/37/429711337.db2.gz USNCWKUIGKPICO-CQSZACIVSA-N 1 0 308.426 3.467 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000277182151 276831859 /nfs/dbraw/zinc/83/18/59/276831859.db2.gz NOICYVFTENYXDM-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301744515 277183393 /nfs/dbraw/zinc/18/33/93/277183393.db2.gz ZXXCXQSEVJHVTB-RISCZKNCSA-N 1 0 309.797 3.169 20 5 DGBDRO C[NH2+]C[C@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420116454 277283474 /nfs/dbraw/zinc/28/34/74/277283474.db2.gz GGKBCNNPWXBKHV-SECBINFHSA-N 1 0 318.204 3.337 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000414592980 278035667 /nfs/dbraw/zinc/03/56/67/278035667.db2.gz ZZTNTANKYAHOFN-ZFWWWQNUSA-N 1 0 306.406 3.311 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000056197194 278364934 /nfs/dbraw/zinc/36/49/34/278364934.db2.gz JSERUJCWAWQRTD-QWHCGFSZSA-N 1 0 313.357 3.273 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000090453653 278945582 /nfs/dbraw/zinc/94/55/82/278945582.db2.gz NAIUAXKDIIISOP-ZBFHGGJFSA-N 1 0 314.389 3.306 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000112077786 431246669 /nfs/dbraw/zinc/24/66/69/431246669.db2.gz YFXWNKOHISEJDU-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CC1(C)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000112702464 431298037 /nfs/dbraw/zinc/29/80/37/431298037.db2.gz YGRDGGYSZVHQME-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000071950037 431320330 /nfs/dbraw/zinc/32/03/30/431320330.db2.gz JFTJPKCQBSPGIJ-UHFFFAOYSA-N 1 0 314.385 3.286 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000071954205 431322572 /nfs/dbraw/zinc/32/25/72/431322572.db2.gz HJMLYVYMTYGLNI-NEPJUHHUSA-N 1 0 322.365 3.035 20 5 DGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCCCC1 ZINC000072948504 431360585 /nfs/dbraw/zinc/36/05/85/431360585.db2.gz ZOBIVWIBMSQUQF-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 ZINC000077221008 431576183 /nfs/dbraw/zinc/57/61/83/431576183.db2.gz CCLMYJJLOTUBFI-UHFFFAOYSA-N 1 0 314.370 3.336 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000026468691 431675716 /nfs/dbraw/zinc/67/57/16/431675716.db2.gz ALTSKPGOPXCWJN-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000078576316 431686183 /nfs/dbraw/zinc/68/61/83/431686183.db2.gz JPVCSAAEIMQHCH-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000119392896 431687582 /nfs/dbraw/zinc/68/75/82/431687582.db2.gz MMBFQXPESAWABW-ZDUSSCGKSA-N 1 0 300.358 3.363 20 5 DGBDRO CCCC[N@H+](CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000079955017 431754413 /nfs/dbraw/zinc/75/44/13/431754413.db2.gz AFPMMHLVDNVKBW-UHFFFAOYSA-N 1 0 304.350 3.267 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000031654221 431762322 /nfs/dbraw/zinc/76/23/22/431762322.db2.gz UQGCHCYTGSFZHD-LBPRGKRZSA-N 1 0 317.389 3.105 20 5 DGBDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121453125 431790216 /nfs/dbraw/zinc/79/02/16/431790216.db2.gz HIUWSJUGGMIIOQ-GFCCVEGCSA-N 1 0 302.378 3.218 20 5 DGBDRO CC[NH+](CC)CCCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000122703994 431842977 /nfs/dbraw/zinc/84/29/77/431842977.db2.gz NITFYCOZMVLCNK-UHFFFAOYSA-N 1 0 300.790 3.177 20 5 DGBDRO C[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000037248244 431844849 /nfs/dbraw/zinc/84/48/49/431844849.db2.gz ZAFSVRSZZFFQMC-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000123590672 431869124 /nfs/dbraw/zinc/86/91/24/431869124.db2.gz PBQNQDANVKKERO-ZDUSSCGKSA-N 1 0 317.389 3.106 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000123605301 431870023 /nfs/dbraw/zinc/87/00/23/431870023.db2.gz ITXOJXNWGMFFSP-CXAGYDPISA-N 1 0 300.358 3.287 20 5 DGBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000123718343 431872594 /nfs/dbraw/zinc/87/25/94/431872594.db2.gz IJEIRVFQMYWXKU-NWDGAFQWSA-N 1 0 312.797 3.374 20 5 DGBDRO C[C@H]1C[C@H](C)C[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000047406829 431909954 /nfs/dbraw/zinc/90/99/54/431909954.db2.gz IROFIICFPPLBMA-RYUDHWBXSA-N 1 0 316.361 3.123 20 5 DGBDRO C[NH+](C)CCSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089691158 431874611 /nfs/dbraw/zinc/87/46/11/431874611.db2.gz ZZXQPKCXVOYRLM-UHFFFAOYSA-N 1 0 307.375 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)co2)cc1 ZINC000089909459 431884899 /nfs/dbraw/zinc/88/48/99/431884899.db2.gz PHUNWKYWULEQEP-OKILXGFUSA-N 1 0 313.357 3.482 20 5 DGBDRO CC[C@H]([NH2+][C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000124194343 431885739 /nfs/dbraw/zinc/88/57/39/431885739.db2.gz GXKLGAKYADFGRN-DLBZAZTESA-N 1 0 300.358 3.369 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000127568057 431975627 /nfs/dbraw/zinc/97/56/27/431975627.db2.gz MSOHXBQVMJFKKV-STQMWFEESA-N 1 0 319.405 3.210 20 5 DGBDRO C[C@H](c1cccnc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000127732810 431978905 /nfs/dbraw/zinc/97/89/05/431978905.db2.gz BPCBTIJTFHNGHS-CYBMUJFWSA-N 1 0 301.346 3.062 20 5 DGBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000049558727 431942036 /nfs/dbraw/zinc/94/20/36/431942036.db2.gz JCJBTRHTDSSMAD-VIFPVBQESA-N 1 0 305.300 3.366 20 5 DGBDRO CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000052644354 431957500 /nfs/dbraw/zinc/95/75/00/431957500.db2.gz WEJZSLORFSKXTB-GFCCVEGCSA-N 1 0 316.361 3.267 20 5 DGBDRO Cc1cccc(N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000277158785 281224370 /nfs/dbraw/zinc/22/43/70/281224370.db2.gz SGGSCLQMHDAZNM-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO Cc1ccccc1[C@@H]([C@H](C)Nc1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000343806174 281362052 /nfs/dbraw/zinc/36/20/52/281362052.db2.gz JWJSGPHIHQXCAM-XJKSGUPXSA-N 1 0 314.389 3.402 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000248343669 432279828 /nfs/dbraw/zinc/27/98/28/432279828.db2.gz KPFUVMQPNUPCGJ-IJLUTSLNSA-N 1 0 316.361 3.436 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151936373 432291129 /nfs/dbraw/zinc/29/11/29/432291129.db2.gz NEIIVNYPBMWVPH-HOCLYGCPSA-N 1 0 316.357 3.276 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000248439129 432292911 /nfs/dbraw/zinc/29/29/11/432292911.db2.gz UBIQHOLNJAJIGU-XJKSGUPXSA-N 1 0 323.824 3.164 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000061013938 432001513 /nfs/dbraw/zinc/00/15/13/432001513.db2.gz FVKZPDUPHMTBES-MRXNPFEDSA-N 1 0 315.373 3.115 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191861938 432310040 /nfs/dbraw/zinc/31/00/40/432310040.db2.gz NNMVGUZBMWKYKT-OAHLLOKOSA-N 1 0 308.378 3.151 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000252108402 432375394 /nfs/dbraw/zinc/37/53/94/432375394.db2.gz HJMLYVYMTYGLNI-NWDGAFQWSA-N 1 0 322.365 3.035 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)CCCO)cc1[N+](=O)[O-] ZINC000271332760 432375681 /nfs/dbraw/zinc/37/56/81/432375681.db2.gz BHRLMKXSOLAAPZ-CYBMUJFWSA-N 1 0 324.421 3.443 20 5 DGBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000271332194 432375719 /nfs/dbraw/zinc/37/57/19/432375719.db2.gz NDOIQPLCYYJKSP-WBMJQRKESA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000252663864 432385605 /nfs/dbraw/zinc/38/56/05/432385605.db2.gz JKVGQHSLTMAJRD-CKEIUWERSA-N 1 0 314.389 3.435 20 5 DGBDRO Cc1nc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)oc1C ZINC000153237385 432394122 /nfs/dbraw/zinc/39/41/22/432394122.db2.gz HITIBFSRGQAHSD-UHFFFAOYSA-N 1 0 301.346 3.364 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000271469489 432402318 /nfs/dbraw/zinc/40/23/18/432402318.db2.gz FYCKZVSMUHWYDQ-AAEUAGOBSA-N 1 0 316.361 3.408 20 5 DGBDRO CC(C)OCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000184157629 432362924 /nfs/dbraw/zinc/36/29/24/432362924.db2.gz ZASVEGYEVAFHRB-UHFFFAOYSA-N 1 0 321.402 3.233 20 5 DGBDRO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000153687408 432434249 /nfs/dbraw/zinc/43/42/49/432434249.db2.gz ZKKKYUHLZDWFAF-UHFFFAOYSA-N 1 0 316.405 3.473 20 5 DGBDRO CC(C)[N@H+](CCO[C@H]1CCCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000193045303 432441796 /nfs/dbraw/zinc/44/17/96/432441796.db2.gz WGWPVXIBFQEYBS-KRWDZBQOSA-N 1 0 322.405 3.348 20 5 DGBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000192764565 432410374 /nfs/dbraw/zinc/41/03/74/432410374.db2.gz VJKXJDSSNCMMRB-HNNXBMFYSA-N 1 0 316.361 3.019 20 5 DGBDRO C[NH+](C)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000192764982 432410681 /nfs/dbraw/zinc/41/06/81/432410681.db2.gz FUDKTQXEGHVQCZ-MRXNPFEDSA-N 1 0 318.352 3.031 20 5 DGBDRO C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCS1 ZINC000153494593 432413203 /nfs/dbraw/zinc/41/32/03/432413203.db2.gz PFXVPQAABJHXJQ-LLVKDONJSA-N 1 0 319.386 3.187 20 5 DGBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000261886925 432458768 /nfs/dbraw/zinc/45/87/68/432458768.db2.gz XATHXDHAKLASTJ-SNVBAGLBSA-N 1 0 318.377 3.093 20 5 DGBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000262048347 432471289 /nfs/dbraw/zinc/47/12/89/432471289.db2.gz PZCDPLFWZKQNDA-QWHCGFSZSA-N 1 0 315.373 3.037 20 5 DGBDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000175861989 432473225 /nfs/dbraw/zinc/47/32/25/432473225.db2.gz OFYDSNVALYQNDJ-OAHLLOKOSA-N 1 0 320.414 3.430 20 5 DGBDRO CC(C)[N@H+](Cc1ccc(CO)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000272305685 432480118 /nfs/dbraw/zinc/48/01/18/432480118.db2.gz JUKAAJSIQPZIGS-UHFFFAOYSA-N 1 0 314.385 3.498 20 5 DGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000185232245 432480859 /nfs/dbraw/zinc/48/08/59/432480859.db2.gz FFOHZJHXHYTHGG-AWEZNQCLSA-N 1 0 314.407 3.114 20 5 DGBDRO COc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1O ZINC000175984519 432483553 /nfs/dbraw/zinc/48/35/53/432483553.db2.gz SRXJJUYLXYEBOR-UHFFFAOYSA-N 1 0 316.357 3.334 20 5 DGBDRO CC[C@@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176195551 432500339 /nfs/dbraw/zinc/50/03/39/432500339.db2.gz XPVSCZIYTAMFDE-CQSZACIVSA-N 1 0 302.378 3.092 20 5 DGBDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176212682 432501432 /nfs/dbraw/zinc/50/14/32/432501432.db2.gz VXXXNWYZBDFEQM-NSHDSACASA-N 1 0 308.769 3.138 20 5 DGBDRO Cc1ccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C(C)C)s1 ZINC000176217555 432501639 /nfs/dbraw/zinc/50/16/39/432501639.db2.gz QCGHMDVZPGGHQH-UHFFFAOYSA-N 1 0 308.407 3.072 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccccc2)C2CCCC2)n1 ZINC000176238487 432503278 /nfs/dbraw/zinc/50/32/78/432503278.db2.gz FJSDDXHRRZJPER-QGZVFWFLSA-N 1 0 314.389 3.312 20 5 DGBDRO COc1ccc(C[NH2+]C2CC(OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000272479182 432509412 /nfs/dbraw/zinc/50/94/12/432509412.db2.gz SPTNWLRNDAMPFB-UHFFFAOYSA-N 1 0 308.378 3.039 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193271735 432460386 /nfs/dbraw/zinc/46/03/86/432460386.db2.gz IXIINHDVEBCBEB-UHFFFAOYSA-N 1 0 312.369 3.252 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000153966808 432461239 /nfs/dbraw/zinc/46/12/39/432461239.db2.gz AJTYVSXIQPUGOF-RYUDHWBXSA-N 1 0 318.377 3.139 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](COC)C(C)C)cc1[N+](=O)[O-] ZINC000153984345 432461292 /nfs/dbraw/zinc/46/12/92/432461292.db2.gz DTJHVJOPUUGFJI-GXTWGEPZSA-N 1 0 310.394 3.315 20 5 DGBDRO CC1(C)CCC[NH2+][C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000261943353 432462593 /nfs/dbraw/zinc/46/25/93/432462593.db2.gz VAHURQASDOKCOS-MRXNPFEDSA-N 1 0 314.389 3.333 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000154001559 432462659 /nfs/dbraw/zinc/46/26/59/432462659.db2.gz YBAGHTGZICKGFP-AWEZNQCLSA-N 1 0 323.824 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000273099626 432551742 /nfs/dbraw/zinc/55/17/42/432551742.db2.gz OHPZIVKFZZBCJR-GFCCVEGCSA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N(C)C)cc1[N+](=O)[O-] ZINC000154754302 432520359 /nfs/dbraw/zinc/52/03/59/432520359.db2.gz GMAURMGKPZXJSA-CYBMUJFWSA-N 1 0 314.389 3.215 20 5 DGBDRO CC1(C)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]1 ZINC000263256499 432529535 /nfs/dbraw/zinc/52/95/35/432529535.db2.gz RAAKUCFEZRCELZ-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272656205 432532688 /nfs/dbraw/zinc/53/26/88/432532688.db2.gz BFZYOTDAKKKGET-UONOGXRCSA-N 1 0 318.421 3.363 20 5 DGBDRO COc1cccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000177297673 432609605 /nfs/dbraw/zinc/60/96/05/432609605.db2.gz AUBLHOCGPXHECC-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000194871613 432581858 /nfs/dbraw/zinc/58/18/58/432581858.db2.gz XAHALWJIULMWOH-KRWDZBQOSA-N 1 0 320.389 3.006 20 5 DGBDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000156002436 432585216 /nfs/dbraw/zinc/58/52/16/432585216.db2.gz LADJDNQTPOTXOV-NSHDSACASA-N 1 0 303.362 3.401 20 5 DGBDRO C/C=C/C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186506461 432602868 /nfs/dbraw/zinc/60/28/68/432602868.db2.gz XQPWWPTZUMALPE-RAIBAHKFSA-N 1 0 318.417 3.223 20 5 DGBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000156684966 432604372 /nfs/dbraw/zinc/60/43/72/432604372.db2.gz OCVKNVLJJWPIAJ-XYPHTWIQSA-N 1 0 318.417 3.463 20 5 DGBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000186666685 432619804 /nfs/dbraw/zinc/61/98/04/432619804.db2.gz PRPHYWWOKRZRJD-UGSOOPFHSA-N 1 0 319.408 3.116 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177860997 432668141 /nfs/dbraw/zinc/66/81/41/432668141.db2.gz MLVQIZDTWIXXSY-LBPRGKRZSA-N 1 0 308.378 3.329 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCc1nccs1 ZINC000265496092 432706632 /nfs/dbraw/zinc/70/66/32/432706632.db2.gz CBJDSSNHRMTBCM-ZZXKWVIFSA-N 1 0 303.387 3.287 20 5 DGBDRO CO[C@H](C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000188133184 432708165 /nfs/dbraw/zinc/70/81/65/432708165.db2.gz QLYMSJHSUUKCAI-DYVFJYSZSA-N 1 0 300.358 3.309 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160455801 432721461 /nfs/dbraw/zinc/72/14/61/432721461.db2.gz JEAHENDYSSILNI-AWEZNQCLSA-N 1 0 307.369 3.189 20 5 DGBDRO CC(C)[N@H+](CCOCC(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000188879371 432750939 /nfs/dbraw/zinc/75/09/39/432750939.db2.gz CWLXOOSOBFVUPS-UHFFFAOYSA-N 1 0 302.321 3.087 20 5 DGBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000178570417 432753588 /nfs/dbraw/zinc/75/35/88/432753588.db2.gz IGLSCVWPJXRULG-QZTJIDSGSA-N 1 0 312.369 3.248 20 5 DGBDRO COc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000266183868 432753707 /nfs/dbraw/zinc/75/37/07/432753707.db2.gz AHFQQYLZTTXHPO-CQSZACIVSA-N 1 0 319.405 3.058 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CSC ZINC000178566491 432753769 /nfs/dbraw/zinc/75/37/69/432753769.db2.gz ORUNZDFXCOUTLY-AWEZNQCLSA-N 1 0 310.419 3.321 20 5 DGBDRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178644846 432761210 /nfs/dbraw/zinc/76/12/10/432761210.db2.gz ITZIGMVSCGNZKF-LBPRGKRZSA-N 1 0 313.357 3.404 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C)cc1[N+](=O)[O-] ZINC000178686670 432765970 /nfs/dbraw/zinc/76/59/70/432765970.db2.gz VSMIHZRDMBAEFR-ZIAGYGMSSA-N 1 0 321.421 3.105 20 5 DGBDRO CCC[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000161208589 432766844 /nfs/dbraw/zinc/76/68/44/432766844.db2.gz ORSRXWIRPASRSP-UHFFFAOYSA-N 1 0 304.346 3.059 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178743437 432773613 /nfs/dbraw/zinc/77/36/13/432773613.db2.gz XJXMMBXYKDXPKH-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000161492570 432780910 /nfs/dbraw/zinc/78/09/10/432780910.db2.gz BZXKOKDFZCYYGQ-ZBFHGGJFSA-N 1 0 314.385 3.330 20 5 DGBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000189351252 432781210 /nfs/dbraw/zinc/78/12/10/432781210.db2.gz CXBKTPXMFLPEQV-HZPDHXFCSA-N 1 0 316.357 3.104 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000231390778 432732509 /nfs/dbraw/zinc/73/25/09/432732509.db2.gz DBZXYCWDYQYIRX-NSHDSACASA-N 1 0 300.786 3.137 20 5 DGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000233848537 432737663 /nfs/dbraw/zinc/73/76/63/432737663.db2.gz BFAUYKQOHXTFJG-DOMZBBRYSA-N 1 0 310.419 3.367 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000245448161 432832103 /nfs/dbraw/zinc/83/21/03/432832103.db2.gz MQFOVDRXUHASSV-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000266770468 432787200 /nfs/dbraw/zinc/78/72/00/432787200.db2.gz JLQZVTYWCDOORW-XHDPSFHLSA-N 1 0 306.387 3.215 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266786983 432788786 /nfs/dbraw/zinc/78/87/86/432788786.db2.gz OKSIEDGBWKWHMA-WMLDXEAASA-N 1 0 314.385 3.412 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCOC3)o2)c(Cl)c1 ZINC000178996116 432794176 /nfs/dbraw/zinc/79/41/76/432794176.db2.gz ZGZXEGFIPSGGJQ-SNVBAGLBSA-N 1 0 322.748 3.387 20 5 DGBDRO C[C@@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000266912142 432797706 /nfs/dbraw/zinc/79/77/06/432797706.db2.gz LTJCBFDCGCBGDQ-ZDUSSCGKSA-N 1 0 300.362 3.017 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266924244 432799734 /nfs/dbraw/zinc/79/97/34/432799734.db2.gz ZDSWDEXIWGBFBH-MEDUHNTESA-N 1 0 304.321 3.118 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCCOC3)o2)c1 ZINC000237995410 432808437 /nfs/dbraw/zinc/80/84/37/432808437.db2.gz ZDYXECLFJHOLHT-ZDUSSCGKSA-N 1 0 316.357 3.371 20 5 DGBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278399326 432892863 /nfs/dbraw/zinc/89/28/63/432892863.db2.gz FMBCYUCPFANICF-PBFPGSCMSA-N 1 0 304.390 3.377 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000245551296 432843714 /nfs/dbraw/zinc/84/37/14/432843714.db2.gz BAZLGCPLFXBVMB-GXTWGEPZSA-N 1 0 320.389 3.377 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000163113152 432844002 /nfs/dbraw/zinc/84/40/02/432844002.db2.gz RXIWJEGIXXLTIX-DYVFJYSZSA-N 1 0 306.406 3.495 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)C1CC1 ZINC000163316070 432849442 /nfs/dbraw/zinc/84/94/42/432849442.db2.gz CKLSONIVCPCFNU-JQFCIGGWSA-N 1 0 318.417 3.057 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000331085207 432928811 /nfs/dbraw/zinc/92/88/11/432928811.db2.gz OKUCTVACFJIZON-HZPDHXFCSA-N 1 0 310.369 3.417 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000331098482 432930450 /nfs/dbraw/zinc/93/04/50/432930450.db2.gz BWIKTPWLQCFNQI-CQSZACIVSA-N 1 0 319.405 3.400 20 5 DGBDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000296912051 432938402 /nfs/dbraw/zinc/93/84/02/432938402.db2.gz WIWKIBLGAMDRLF-IJEWVQPXSA-N 1 0 314.389 3.058 20 5 DGBDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279222980 432947254 /nfs/dbraw/zinc/94/72/54/432947254.db2.gz ZEDUSVNXJRKHAK-MQIPJXDCSA-N 1 0 306.406 3.314 20 5 DGBDRO CCC[C@H]([NH2+][C@H](COC)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000278914129 432916648 /nfs/dbraw/zinc/91/66/48/432916648.db2.gz VZTIGUIZXCBZEI-BBWFWOEESA-N 1 0 322.405 3.220 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000341129540 432969921 /nfs/dbraw/zinc/96/99/21/432969921.db2.gz TXFMFLYSLOSXHB-JTQLQIEISA-N 1 0 300.790 3.176 20 5 DGBDRO Cc1cnn([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000289988914 432980069 /nfs/dbraw/zinc/98/00/69/432980069.db2.gz SFYSBRLNNWPAKI-KBPBESRZSA-N 1 0 300.362 3.108 20 5 DGBDRO Cc1cnn([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000289988924 432980940 /nfs/dbraw/zinc/98/09/40/432980940.db2.gz SFYSBRLNNWPAKI-UONOGXRCSA-N 1 0 300.362 3.108 20 5 DGBDRO COCC[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000332372730 433002299 /nfs/dbraw/zinc/00/22/99/433002299.db2.gz XGBGNTWTBKHUNK-ZDUSSCGKSA-N 1 0 310.369 3.373 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290077429 432987584 /nfs/dbraw/zinc/98/75/84/432987584.db2.gz YTLBCDUKJSCGHX-DGCLKSJQSA-N 1 0 320.780 3.453 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000332335375 432998807 /nfs/dbraw/zinc/99/88/07/432998807.db2.gz MSOHXBQVMJFKKV-CHWSQXEVSA-N 1 0 319.405 3.210 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297083919 432956521 /nfs/dbraw/zinc/95/65/21/432956521.db2.gz KAUDDHREHYPPLY-OAHLLOKOSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(Cl)cc1 ZINC000280324763 433035785 /nfs/dbraw/zinc/03/57/85/433035785.db2.gz PRWCNDFLJWWYLX-NWDGAFQWSA-N 1 0 322.796 3.227 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@](C)(CC)OC)cc1[N+](=O)[O-] ZINC000453308167 433076704 /nfs/dbraw/zinc/07/67/04/433076704.db2.gz WBOGFODDISEURI-LRDDRELGSA-N 1 0 310.394 3.459 20 5 DGBDRO Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420222922 433127491 /nfs/dbraw/zinc/12/74/91/433127491.db2.gz YNRYLFOSBFHTPN-VHSXEESVSA-N 1 0 317.311 3.096 20 5 DGBDRO Cc1ccc([C@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000453381078 433133459 /nfs/dbraw/zinc/13/34/59/433133459.db2.gz RDYBBYWOAHQBPQ-YOEHRIQHSA-N 1 0 304.390 3.467 20 5 DGBDRO Cc1c([C@@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000453385843 433144088 /nfs/dbraw/zinc/14/40/88/433144088.db2.gz UVFMHTPMYXHMMQ-RHSMWYFYSA-N 1 0 304.390 3.467 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000447075707 433151424 /nfs/dbraw/zinc/15/14/24/433151424.db2.gz HFWVNTRNRMLVON-HNNXBMFYSA-N 1 0 303.406 3.071 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000298351758 433102849 /nfs/dbraw/zinc/10/28/49/433102849.db2.gz JTSFHTDHLOKMDS-KAOXEZKKSA-N 1 0 310.419 3.154 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1O ZINC000290612623 433118918 /nfs/dbraw/zinc/11/89/18/433118918.db2.gz HZYHMPJFPRXWPI-NSHDSACASA-N 1 0 302.330 3.160 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCC1 ZINC000453363713 433119984 /nfs/dbraw/zinc/11/99/84/433119984.db2.gz BXAABJYWPRYERA-UKRRQHHQSA-N 1 0 324.446 3.216 20 5 DGBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC1CCC1 ZINC000361481395 433197650 /nfs/dbraw/zinc/19/76/50/433197650.db2.gz MLEMYAPERISZBO-UHFFFAOYSA-N 1 0 308.378 3.104 20 5 DGBDRO Cc1ccccc1[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000341680475 433206297 /nfs/dbraw/zinc/20/62/97/433206297.db2.gz DDGKMQICXTUKMD-HNNXBMFYSA-N 1 0 302.378 3.124 20 5 DGBDRO COCCOCCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447533413 433217710 /nfs/dbraw/zinc/21/77/10/433217710.db2.gz RJEWQBDHAFTMCT-QGZVFWFLSA-N 1 0 322.405 3.005 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(F)c2)n1 ZINC000447533517 433218739 /nfs/dbraw/zinc/21/87/39/433218739.db2.gz XWGNXRGLJLRZAK-LSDHHAIUSA-N 1 0 318.352 3.204 20 5 DGBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000447906286 433317014 /nfs/dbraw/zinc/31/70/14/433317014.db2.gz XAVBVDLJAXVVLP-NADMHLTPSA-N 1 0 317.433 3.318 20 5 DGBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000447906288 433318672 /nfs/dbraw/zinc/31/86/72/433318672.db2.gz XAVBVDLJAXVVLP-SKHCZCESSA-N 1 0 317.433 3.318 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000425520439 433279339 /nfs/dbraw/zinc/27/93/39/433279339.db2.gz IEIDYADTFNXGIY-CHWSQXEVSA-N 1 0 319.405 3.352 20 5 DGBDRO COc1cccc(NC[C@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447805499 433284447 /nfs/dbraw/zinc/28/44/47/433284447.db2.gz IUDHTWCEVDFQRS-CQSZACIVSA-N 1 0 307.394 3.136 20 5 DGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000447819160 433288639 /nfs/dbraw/zinc/28/86/39/433288639.db2.gz XJONFAZDGZPAII-LBPRGKRZSA-N 1 0 312.801 3.176 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[C@@H](C)C1 ZINC000361642197 433308826 /nfs/dbraw/zinc/30/88/26/433308826.db2.gz IBJINMYBMBSUSJ-TZMCWYRMSA-N 1 0 310.369 3.371 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000448066075 433358445 /nfs/dbraw/zinc/35/84/45/433358445.db2.gz CEWNTKRVVYPYNV-HOCLYGCPSA-N 1 0 315.417 3.356 20 5 DGBDRO C[C@@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000425919911 433374768 /nfs/dbraw/zinc/37/47/68/433374768.db2.gz GSQXEFFDUWZQBO-BLLLJJGKSA-N 1 0 305.422 3.105 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccncc21 ZINC000301084642 433407333 /nfs/dbraw/zinc/40/73/33/433407333.db2.gz LWJOJYPMVIWPMA-WBVHZDCISA-N 1 0 312.373 3.182 20 5 DGBDRO CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H](C)C1 ZINC000281860768 433411810 /nfs/dbraw/zinc/41/18/10/433411810.db2.gz ALUZVHARBLHNQK-BBRMVZONSA-N 1 0 322.405 3.381 20 5 DGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301117695 433422928 /nfs/dbraw/zinc/42/29/28/433422928.db2.gz VXHQWQSKSKGOBT-RYUDHWBXSA-N 1 0 322.365 3.035 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414146884 433424324 /nfs/dbraw/zinc/42/43/24/433424324.db2.gz PRGJEVDYBKDWFP-BBWFWOEESA-N 1 0 318.417 3.462 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122133031 289964871 /nfs/dbraw/zinc/96/48/71/289964871.db2.gz JSPYKHDCPAHRAO-WFASDCNBSA-N 1 0 303.362 3.141 20 5 DGBDRO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000355067199 433447969 /nfs/dbraw/zinc/44/79/69/433447969.db2.gz ONVGUHHQTOJECV-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301248416 433466155 /nfs/dbraw/zinc/46/61/55/433466155.db2.gz AGOJLLWKMPJJSK-QWRGUYRKSA-N 1 0 312.801 3.176 20 5 DGBDRO Cc1ccnc(NCCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000301248634 433466812 /nfs/dbraw/zinc/46/68/12/433466812.db2.gz BJSMUTUFIHHCPM-UHFFFAOYSA-N 1 0 306.410 3.365 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285688211 290267540 /nfs/dbraw/zinc/26/75/40/290267540.db2.gz VGSLLGYFOVIAPI-KFWWJZLASA-N 1 0 303.406 3.214 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000414290558 433517023 /nfs/dbraw/zinc/51/70/23/433517023.db2.gz JIWWIMLRJURVET-DXCKQFNASA-N 1 0 324.421 3.440 20 5 DGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000351499954 433535648 /nfs/dbraw/zinc/53/56/48/433535648.db2.gz DSTHIKNFVLCTHS-UWVGGRQHSA-N 1 0 317.311 3.142 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000414254888 433489128 /nfs/dbraw/zinc/48/91/28/433489128.db2.gz BRVQDULUYLUNNZ-XPCVCDNBSA-N 1 0 322.405 3.458 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000414254887 433489540 /nfs/dbraw/zinc/48/95/40/433489540.db2.gz BRVQDULUYLUNNZ-OSFYFWSMSA-N 1 0 322.405 3.458 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414257179 433490449 /nfs/dbraw/zinc/49/04/49/433490449.db2.gz DIJFDJUOWBAMFF-KQTLUZQSSA-N 1 0 306.406 3.319 20 5 DGBDRO Cc1ccnc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301296654 433492965 /nfs/dbraw/zinc/49/29/65/433492965.db2.gz PHNZFAGLYTUOOW-CHWSQXEVSA-N 1 0 306.410 3.078 20 5 DGBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccccc1 ZINC000292193936 433500832 /nfs/dbraw/zinc/50/08/32/433500832.db2.gz NJIZDOKJMRAOJA-CQSZACIVSA-N 1 0 302.378 3.263 20 5 DGBDRO CSc1ccc([N+](=O)[O-])c(-c2nc([C@@H]([NH3+])CC(C)C)no2)c1 ZINC000339389590 433551510 /nfs/dbraw/zinc/55/15/10/433551510.db2.gz HGVKQQSVCUJCFD-NSHDSACASA-N 1 0 322.390 3.413 20 5 DGBDRO Cc1cc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301459856 433564847 /nfs/dbraw/zinc/56/48/47/433564847.db2.gz YDAIECYYFRUWFT-SGMGOOAPSA-N 1 0 306.410 3.077 20 5 DGBDRO CSC[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000292504657 433572404 /nfs/dbraw/zinc/57/24/04/433572404.db2.gz UXMZSHQCBPRZEF-ZDUSSCGKSA-N 1 0 310.419 3.049 20 5 DGBDRO Cc1nc(CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282374989 433582514 /nfs/dbraw/zinc/58/25/14/433582514.db2.gz FJSXEWXSDMJTLZ-UHFFFAOYSA-N 1 0 305.403 3.077 20 5 DGBDRO CCOc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301516357 433590097 /nfs/dbraw/zinc/59/00/97/433590097.db2.gz GLWNZEZJFSKRJR-OCCSQVGLSA-N 1 0 307.394 3.278 20 5 DGBDRO Cc1cnc(NC[C@@H](C2CCCCC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301423374 433544622 /nfs/dbraw/zinc/54/46/22/433544622.db2.gz FUOXPYQWKCNVIT-HNNXBMFYSA-N 1 0 306.410 3.221 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421401159 433548192 /nfs/dbraw/zinc/54/81/92/433548192.db2.gz SZJKALNLPZTISE-ASNKMWSDSA-N 1 0 318.417 3.483 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOC[C@H]1CCCO1 ZINC000163497275 292868340 /nfs/dbraw/zinc/86/83/40/292868340.db2.gz MARDWPNBFMLKAL-GOEBONIOSA-N 1 0 322.405 3.140 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282398833 433594713 /nfs/dbraw/zinc/59/47/13/433594713.db2.gz XUSHYAIVYXUXDH-INIZCTEOSA-N 1 0 304.390 3.076 20 5 DGBDRO COC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293110769 433617331 /nfs/dbraw/zinc/61/73/31/433617331.db2.gz OOASFGYTMDKSGR-SNVBAGLBSA-N 1 0 318.295 3.082 20 5 DGBDRO CCn1ccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000414480876 433652946 /nfs/dbraw/zinc/65/29/46/433652946.db2.gz KNIINVUKYNLMBH-UKTHLTGXSA-N 1 0 300.362 3.004 20 5 DGBDRO Cc1nc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301650426 433657209 /nfs/dbraw/zinc/65/72/09/433657209.db2.gz PRBRUIHLMGPTSJ-LBPRGKRZSA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1nc(NCCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000301647107 433659127 /nfs/dbraw/zinc/65/91/27/433659127.db2.gz OCZUAKZGANVQHR-UHFFFAOYSA-N 1 0 306.410 3.222 20 5 DGBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OCC1CC1 ZINC000414519244 433684550 /nfs/dbraw/zinc/68/45/50/433684550.db2.gz WWILZPDBQGAGHR-FNORWQNLSA-N 1 0 304.390 3.403 20 5 DGBDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414526220 433691536 /nfs/dbraw/zinc/69/15/36/433691536.db2.gz NXBZOARVHQBFGT-DOMZBBRYSA-N 1 0 316.357 3.058 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301764918 433710147 /nfs/dbraw/zinc/71/01/47/433710147.db2.gz GYFQDACCVJCBLP-KBXCAEBGSA-N 1 0 315.417 3.356 20 5 DGBDRO Cc1c(C[NH+]2CCC(OCC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000374127740 293354969 /nfs/dbraw/zinc/35/49/69/293354969.db2.gz ANMDMKXPBNMLBX-UHFFFAOYSA-N 1 0 304.390 3.294 20 5 DGBDRO CC(C)N(CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449061133 433713982 /nfs/dbraw/zinc/71/39/82/433713982.db2.gz VDZMGBXJWIDAGE-HNNXBMFYSA-N 1 0 307.438 3.234 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)N1CCCCC1 ZINC000449064844 433720837 /nfs/dbraw/zinc/72/08/37/433720837.db2.gz RDVKBEZUJFTIJG-HNNXBMFYSA-N 1 0 319.449 3.380 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccccc1 ZINC000449064857 433721145 /nfs/dbraw/zinc/72/11/45/433721145.db2.gz WNPCFXJILQTCGI-CQSZACIVSA-N 1 0 300.358 3.194 20 5 DGBDRO Cc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301800310 433727344 /nfs/dbraw/zinc/72/73/44/433727344.db2.gz VNDDHGGOTHIBAH-ZBFHGGJFSA-N 1 0 315.417 3.356 20 5 DGBDRO CC(C)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283531917 433740498 /nfs/dbraw/zinc/74/04/98/433740498.db2.gz NWWMYAIUPPYZDT-CQSZACIVSA-N 1 0 305.378 3.044 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCOCC2)o1 ZINC000376507878 433758566 /nfs/dbraw/zinc/75/85/66/433758566.db2.gz YCYCHPACMAGIOY-UHFFFAOYSA-N 1 0 302.330 3.077 20 5 DGBDRO COC1([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000421835314 433759586 /nfs/dbraw/zinc/75/95/86/433759586.db2.gz PSOQSUWDNNKVRY-AWEZNQCLSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@H](Cc1cccc(O)c1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449131839 433723554 /nfs/dbraw/zinc/72/35/54/433723554.db2.gz PXXDFDZHJHHOOE-ZIAGYGMSSA-N 1 0 314.385 3.452 20 5 DGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283427357 433725316 /nfs/dbraw/zinc/72/53/16/433725316.db2.gz WQCDPFIBJIZNHK-JSGCOSHPSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432341209 433823464 /nfs/dbraw/zinc/82/34/64/433823464.db2.gz UXVGXGAWWINIEA-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293585755 433791974 /nfs/dbraw/zinc/79/19/74/433791974.db2.gz FDDBFXLFVCBOLE-LBPRGKRZSA-N 1 0 315.373 3.427 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000449783006 433793093 /nfs/dbraw/zinc/79/30/93/433793093.db2.gz MQJCLIFMTZJUAY-XUMUTMIRSA-N 1 0 316.401 3.355 20 5 DGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000293656586 433821501 /nfs/dbraw/zinc/82/15/01/433821501.db2.gz IFMKYWZUBHPHND-TZMCWYRMSA-N 1 0 321.421 3.106 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000284287221 433876366 /nfs/dbraw/zinc/87/63/66/433876366.db2.gz HXWVVUGGXFAIKP-SNVBAGLBSA-N 1 0 323.299 3.442 20 5 DGBDRO Cc1cccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000302493847 433826216 /nfs/dbraw/zinc/82/62/16/433826216.db2.gz LEDLAOUAHZYUPB-GDBMZVCRSA-N 1 0 315.417 3.356 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)C1CCC1 ZINC000357028081 433829827 /nfs/dbraw/zinc/82/98/27/433829827.db2.gz ASAZGUOVRZWUNP-CYBMUJFWSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(Cl)cc1[N+](=O)[O-] ZINC000302715831 433835206 /nfs/dbraw/zinc/83/52/06/433835206.db2.gz FUOFKWOPRBALDJ-GXTWGEPZSA-N 1 0 323.824 3.477 20 5 DGBDRO CO[C@@H]1CC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433083984 433843846 /nfs/dbraw/zinc/84/38/46/433843846.db2.gz PRZXFOSBQPIIMH-KFNAQCHYSA-N 1 0 304.390 3.474 20 5 DGBDRO CO[C@H]1CC[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000302737983 433846806 /nfs/dbraw/zinc/84/68/06/433846806.db2.gz BRGJEMPUEZMNLS-AAEUAGOBSA-N 1 0 301.346 3.431 20 5 DGBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284223505 433865411 /nfs/dbraw/zinc/86/54/11/433865411.db2.gz UNDGMLLLGDFVTO-NSHDSACASA-N 1 0 313.379 3.076 20 5 DGBDRO [NH3+]C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000414840055 433871137 /nfs/dbraw/zinc/87/11/37/433871137.db2.gz MDGKQGKTHXTWNZ-DHINHOHASA-N 1 0 303.406 3.105 20 5 DGBDRO CC1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]CC1 ZINC000414941881 433927697 /nfs/dbraw/zinc/92/76/97/433927697.db2.gz MDUBSFIHPFQRDM-UHFFFAOYSA-N 1 0 315.373 3.087 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302838463 433881141 /nfs/dbraw/zinc/88/11/41/433881141.db2.gz YOGBCUQDELYGNE-GFCCVEGCSA-N 1 0 311.813 3.477 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000436412491 433961201 /nfs/dbraw/zinc/96/12/01/433961201.db2.gz RKOLHDXGFLHECJ-IUODEOHRSA-N 1 0 314.389 3.274 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000436412490 433962463 /nfs/dbraw/zinc/96/24/63/433962463.db2.gz RKOLHDXGFLHECJ-DOMZBBRYSA-N 1 0 314.389 3.274 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000378267394 293770495 /nfs/dbraw/zinc/77/04/95/293770495.db2.gz CPKDEFIJKRYSGD-FZKQIMNGSA-N 1 0 311.385 3.432 20 5 DGBDRO CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[NH+](CC)CC ZINC000345945326 434017690 /nfs/dbraw/zinc/01/76/90/434017690.db2.gz BBWWHORUEOXPQU-AWEZNQCLSA-N 1 0 307.394 3.271 20 5 DGBDRO CC[C@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[NH+](CC)CC ZINC000345945334 434019640 /nfs/dbraw/zinc/01/96/40/434019640.db2.gz BBWWHORUEOXPQU-CQSZACIVSA-N 1 0 307.394 3.271 20 5 DGBDRO Cc1cc(N[C@H]2CS[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000397818395 293848987 /nfs/dbraw/zinc/84/89/87/293848987.db2.gz SMMPWKQOLYOQKQ-WDEREUQCSA-N 1 0 303.387 3.179 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C1CC1 ZINC000363383824 434037367 /nfs/dbraw/zinc/03/73/67/434037367.db2.gz BCDAOIPUUKEECE-INIZCTEOSA-N 1 0 317.389 3.106 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000357524153 434061738 /nfs/dbraw/zinc/06/17/38/434061738.db2.gz AUQCTDRHOILPBX-JSGCOSHPSA-N 1 0 319.405 3.495 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000357554893 434074749 /nfs/dbraw/zinc/07/47/49/434074749.db2.gz SXLVYZARHVPLSI-KGLIPLIRSA-N 1 0 319.405 3.495 20 5 DGBDRO C[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000450306802 434092069 /nfs/dbraw/zinc/09/20/69/434092069.db2.gz DSDYUUYTXBQUNI-NSHDSACASA-N 1 0 300.362 3.038 20 5 DGBDRO CC(C)c1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000422898865 434092178 /nfs/dbraw/zinc/09/21/78/434092178.db2.gz NBOCQIZCWIKNFS-OAHLLOKOSA-N 1 0 321.421 3.164 20 5 DGBDRO COc1ccncc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000294339743 434092985 /nfs/dbraw/zinc/09/29/85/434092985.db2.gz PIKZFRVYKMGHES-CYBMUJFWSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000309759452 434095953 /nfs/dbraw/zinc/09/59/53/434095953.db2.gz XRAHVTNRGKDLPR-CJNGLKHVSA-N 1 0 312.373 3.065 20 5 DGBDRO C[C@@H]1[C@H](Nc2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000309878560 434103227 /nfs/dbraw/zinc/10/32/27/434103227.db2.gz IVUKESPJGQNSIB-UKRRQHHQSA-N 1 0 312.373 3.065 20 5 DGBDRO [NH3+][C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000346085554 434108353 /nfs/dbraw/zinc/10/83/53/434108353.db2.gz SYRZNXYZCMTMDS-LBPRGKRZSA-N 1 0 317.414 3.246 20 5 DGBDRO [NH3+][C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000346085553 434109062 /nfs/dbraw/zinc/10/90/62/434109062.db2.gz SYRZNXYZCMTMDS-GFCCVEGCSA-N 1 0 317.414 3.246 20 5 DGBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285942769 434116841 /nfs/dbraw/zinc/11/68/41/434116841.db2.gz MFWWCMHKQFTXSB-JSGCOSHPSA-N 1 0 310.369 3.249 20 5 DGBDRO CC[C@H]1C[C@]1([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C)c1 ZINC000502564017 294169405 /nfs/dbraw/zinc/16/94/05/294169405.db2.gz BWRFSNGLWKTMLG-WMLDXEAASA-N 1 0 314.389 3.015 20 5 DGBDRO CCC1CCC([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000353433282 434127561 /nfs/dbraw/zinc/12/75/61/434127561.db2.gz FFYICBFSJBKDNJ-UHFFFAOYSA-N 1 0 319.405 3.094 20 5 DGBDRO CCC[C@H](O)C[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000504912686 294224040 /nfs/dbraw/zinc/22/40/40/294224040.db2.gz ZLKGROIAQPHMEJ-OLZOCXBDSA-N 1 0 312.435 3.216 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000505825740 294255001 /nfs/dbraw/zinc/25/50/01/294255001.db2.gz MYYZXKOVDWRMPL-INIZCTEOSA-N 1 0 312.369 3.496 20 5 DGBDRO CCCC[N@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000505848187 294256600 /nfs/dbraw/zinc/25/66/00/294256600.db2.gz NSAHUMVYOVGTCH-UHFFFAOYSA-N 1 0 318.373 3.449 20 5 DGBDRO CC(C)(C)CC[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505906584 294258806 /nfs/dbraw/zinc/25/88/06/294258806.db2.gz CBWPMKOQDKWQBK-UHFFFAOYSA-N 1 0 323.412 3.288 20 5 DGBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000509700156 294362506 /nfs/dbraw/zinc/36/25/06/294362506.db2.gz QPUCETVLYHQKGV-UHFFFAOYSA-N 1 0 321.421 3.304 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000340452536 434139759 /nfs/dbraw/zinc/13/97/59/434139759.db2.gz STSLNQAXMQCUTQ-NWDGAFQWSA-N 1 0 301.346 3.416 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000315394981 434164593 /nfs/dbraw/zinc/16/45/93/434164593.db2.gz DUNAELIVZHTQCI-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000512884287 294455976 /nfs/dbraw/zinc/45/59/76/294455976.db2.gz CTHOHCQDLHQYIW-DZGCQCFKSA-N 1 0 306.406 3.480 20 5 DGBDRO CC(=O)c1cc(NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000286132200 434176984 /nfs/dbraw/zinc/17/69/84/434176984.db2.gz MXJOZUBWYJFTPW-UHFFFAOYSA-N 1 0 305.378 3.085 20 5 DGBDRO Cc1ccc(C[N@@H+](C)[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000295106893 434206470 /nfs/dbraw/zinc/20/64/70/434206470.db2.gz UJTVXJZMFHCYNS-QGZVFWFLSA-N 1 0 300.358 3.069 20 5 DGBDRO C[C@H](CCCCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295112487 434209995 /nfs/dbraw/zinc/20/99/95/434209995.db2.gz VHGQTLQPBAWYLD-CYBMUJFWSA-N 1 0 318.373 3.496 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000321153657 434247608 /nfs/dbraw/zinc/24/76/08/434247608.db2.gz GHNCRUYJWNQKLB-DLBZAZTESA-N 1 0 318.417 3.465 20 5 DGBDRO COc1ccncc1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000353610646 434267127 /nfs/dbraw/zinc/26/71/27/434267127.db2.gz VXHGQVHXCITUCT-JYRVWZFOSA-N 1 0 313.357 3.192 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000295135233 434224391 /nfs/dbraw/zinc/22/43/91/434224391.db2.gz YSWVMYAAVQDTPJ-FVQBIDKESA-N 1 0 304.390 3.075 20 5 DGBDRO CC[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340678902 434292303 /nfs/dbraw/zinc/29/23/03/434292303.db2.gz MVEKARLYXMICNW-LBPRGKRZSA-N 1 0 302.334 3.019 20 5 DGBDRO C[NH2+]CCN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423225742 434294057 /nfs/dbraw/zinc/29/40/57/434294057.db2.gz OASWUQANWLIFGS-NSHDSACASA-N 1 0 305.403 3.193 20 5 DGBDRO CCc1ccc([C@H](NCC[C@H](C)[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423225612 434294719 /nfs/dbraw/zinc/29/47/19/434294719.db2.gz NLZBTELXVGBDCR-YVEFUNNKSA-N 1 0 317.389 3.167 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000516753706 294628841 /nfs/dbraw/zinc/62/88/41/294628841.db2.gz YLMDSNPYCFSUTL-CHWSQXEVSA-N 1 0 319.405 3.480 20 5 DGBDRO CC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000358182388 434368612 /nfs/dbraw/zinc/36/86/12/434368612.db2.gz UOPFMEKWDWLMKN-QGZVFWFLSA-N 1 0 316.405 3.392 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000518396789 294718093 /nfs/dbraw/zinc/71/80/93/294718093.db2.gz JEDZMDBZVGSZHP-WTTBNOFXSA-N 1 0 314.385 3.129 20 5 DGBDRO CCC([NH3+])(CC)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423286655 434339688 /nfs/dbraw/zinc/33/96/88/434339688.db2.gz HZWWYNDMSLMNBI-OAHLLOKOSA-N 1 0 305.422 3.424 20 5 DGBDRO CC(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000295387440 434341557 /nfs/dbraw/zinc/34/15/57/434341557.db2.gz URSKTYAUPDSWTM-UHFFFAOYSA-N 1 0 312.369 3.472 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000437831644 434347074 /nfs/dbraw/zinc/34/70/74/434347074.db2.gz CGNLIEKTKLBCEB-INIZCTEOSA-N 1 0 312.369 3.291 20 5 DGBDRO CCCC[C@H](CN)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423298113 434349447 /nfs/dbraw/zinc/34/94/47/434349447.db2.gz NEWAPAGMFHICLP-CVEARBPZSA-N 1 0 305.422 3.023 20 5 DGBDRO CSC[C@@H](CCO)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313335 434352394 /nfs/dbraw/zinc/35/23/94/434352394.db2.gz PCIFMFQPVJNYAD-CZUORRHYSA-N 1 0 324.446 3.066 20 5 DGBDRO CCC[NH2+]CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423311430 434355283 /nfs/dbraw/zinc/35/52/83/434355283.db2.gz QCFRYMALDVYWRL-SFHVURJKSA-N 1 0 313.401 3.273 20 5 DGBDRO Cc1cc(NCC2(C(F)F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000359842017 434445990 /nfs/dbraw/zinc/44/59/90/434445990.db2.gz FTPHCOWKFNDHLH-UHFFFAOYSA-N 1 0 307.300 3.331 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(C4CC4)CC3)nc2c1 ZINC000366453363 434420406 /nfs/dbraw/zinc/42/04/06/434420406.db2.gz ZVVQICAXICLBNM-UHFFFAOYSA-N 1 0 301.346 3.358 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@H](CO)C1)CCC2 ZINC000348640845 434429585 /nfs/dbraw/zinc/42/95/85/434429585.db2.gz JZCBCZXAWUAIOX-SUNYJGFJSA-N 1 0 318.417 3.361 20 5 DGBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O ZINC000360004337 434470303 /nfs/dbraw/zinc/47/03/03/434470303.db2.gz NQJBJJPEIVDNJF-UHFFFAOYSA-N 1 0 300.786 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000296047587 434491532 /nfs/dbraw/zinc/49/15/32/434491532.db2.gz FOHJVPVXXYNUAK-BPLDGKMQSA-N 1 0 322.792 3.295 20 5 DGBDRO CC(C)c1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000423630189 434501652 /nfs/dbraw/zinc/50/16/52/434501652.db2.gz DGRPERBWQSHQOY-AWEZNQCLSA-N 1 0 319.405 3.062 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000296098032 434507915 /nfs/dbraw/zinc/50/79/15/434507915.db2.gz UISFDCLJLJRKFW-UHFFFAOYSA-N 1 0 319.405 3.170 20 5 DGBDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000348835622 434515338 /nfs/dbraw/zinc/51/53/38/434515338.db2.gz AHGFEFCOVCIIRX-LBPRGKRZSA-N 1 0 304.346 3.322 20 5 DGBDRO CCC[NH+](CCC)CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000524250492 294972305 /nfs/dbraw/zinc/97/23/05/294972305.db2.gz DUUZLQMDMJBTBJ-UHFFFAOYSA-N 1 0 321.421 3.145 20 5 DGBDRO [NH3+]CCN(Cc1ccc(Cl)cc1F)c1ccccc1[N+](=O)[O-] ZINC000348890935 434544799 /nfs/dbraw/zinc/54/47/99/434544799.db2.gz FYBLPEJFIBAUQE-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO C[C@@H]1C[C@H]1c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])o1 ZINC000348895637 434545408 /nfs/dbraw/zinc/54/54/08/434545408.db2.gz RHSRCQLDNXTPRI-TZMCWYRMSA-N 1 0 315.373 3.277 20 5 DGBDRO [NH3+]CCN(C/C=C\c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000348902707 434549775 /nfs/dbraw/zinc/54/97/75/434549775.db2.gz DIRVAIUDSRBYCA-ARJAWSKDSA-N 1 0 315.348 3.212 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000408213637 434552817 /nfs/dbraw/zinc/55/28/17/434552817.db2.gz CQCRODWGHPUESX-AWEZNQCLSA-N 1 0 304.390 3.467 20 5 DGBDRO Cc1cc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)on1 ZINC000353995927 434565062 /nfs/dbraw/zinc/56/50/62/434565062.db2.gz MGEZWKKBXFWHPL-MRXNPFEDSA-N 1 0 315.373 3.045 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000360328768 434580204 /nfs/dbraw/zinc/58/02/04/434580204.db2.gz HJIIYHNOXNMXCB-JXFSHQFZSA-N 1 0 319.405 3.336 20 5 DGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000452004493 434582025 /nfs/dbraw/zinc/58/20/25/434582025.db2.gz HWQFOHKUONFJRJ-NSHDSACASA-N 1 0 316.361 3.408 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451613998 434575102 /nfs/dbraw/zinc/57/51/02/434575102.db2.gz ODNGYMVRDLGYSI-UYHISHBKSA-N 1 0 318.417 3.351 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000452127318 434585766 /nfs/dbraw/zinc/58/57/66/434585766.db2.gz ZUEDMAXGTUPJTM-CQSZACIVSA-N 1 0 311.813 3.163 20 5 DGBDRO C[C@@]1(CCCO)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000349153078 434621472 /nfs/dbraw/zinc/62/14/72/434621472.db2.gz REHVEUKTAMMFAK-AUNFYEFLSA-N 1 0 304.390 3.235 20 5 DGBDRO COCC1(C)C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000459620291 434634903 /nfs/dbraw/zinc/63/49/03/434634903.db2.gz IVVCKZWNPBJXDP-UHFFFAOYSA-N 1 0 316.357 3.323 20 5 DGBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459620352 434636357 /nfs/dbraw/zinc/63/63/57/434636357.db2.gz VXEKUUSRQIMAKT-DYVFJYSZSA-N 1 0 319.405 3.116 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]2C2CCC2)n1 ZINC000424315734 434693296 /nfs/dbraw/zinc/69/32/96/434693296.db2.gz AKKMHRHJMJTDQE-GBJTYRQASA-N 1 0 304.394 3.053 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459753752 434699177 /nfs/dbraw/zinc/69/91/77/434699177.db2.gz NUGCJRFDJGMLNI-OLZOCXBDSA-N 1 0 302.378 3.000 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2nc(C)ccc2[N+](=O)[O-])c1 ZINC000360669078 434663651 /nfs/dbraw/zinc/66/36/51/434663651.db2.gz MNXDPAKLCYZSCS-UHFFFAOYSA-N 1 0 314.389 3.362 20 5 DGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000354209181 434670776 /nfs/dbraw/zinc/67/07/76/434670776.db2.gz QKLQGUPHZSMKGD-QWHCGFSZSA-N 1 0 309.385 3.039 20 5 DGBDRO COc1ccc(C[NH2+]CCCc2ccc(C)nc2)cc1[N+](=O)[O-] ZINC000354213375 434672462 /nfs/dbraw/zinc/67/24/62/434672462.db2.gz XDFPWYJKSBLIAL-UHFFFAOYSA-N 1 0 315.373 3.029 20 5 DGBDRO [NH3+]C1(c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)CCCCC1 ZINC000424336006 434703363 /nfs/dbraw/zinc/70/33/63/434703363.db2.gz IADXWRSAFZYLLX-CMDGGOBGSA-N 1 0 314.345 3.266 20 5 DGBDRO CC(C)c1ccc(CN(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000349408887 434706806 /nfs/dbraw/zinc/70/68/06/434706806.db2.gz QWSMVMMXXYNIKH-UHFFFAOYSA-N 1 0 305.422 3.244 20 5 DGBDRO C[C@H]1CC2(C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424378454 434714714 /nfs/dbraw/zinc/71/47/14/434714714.db2.gz NELBVDQFWQWUDS-DRDHIDPGSA-N 1 0 315.417 3.072 20 5 DGBDRO CCOc1cc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000459781934 434718095 /nfs/dbraw/zinc/71/80/95/434718095.db2.gz YUZPCAAHDATUPG-JKSUJKDBSA-N 1 0 320.389 3.041 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000459781931 434718433 /nfs/dbraw/zinc/71/84/33/434718433.db2.gz YUZPCAAHDATUPG-CVEARBPZSA-N 1 0 320.389 3.041 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411145108 434730877 /nfs/dbraw/zinc/73/08/77/434730877.db2.gz BIXQQIDULOIWDA-AWEZNQCLSA-N 1 0 305.378 3.188 20 5 DGBDRO COC(=O)CC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000440697503 434734543 /nfs/dbraw/zinc/73/45/43/434734543.db2.gz MBAVXGQTDSKEBD-UHFFFAOYSA-N 1 0 320.389 3.149 20 5 DGBDRO CCC[NH+](CCC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411162757 434735058 /nfs/dbraw/zinc/73/50/58/434735058.db2.gz DIEWEMVKKKQTCX-CYBMUJFWSA-N 1 0 307.394 3.352 20 5 DGBDRO CO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000371736466 434744268 /nfs/dbraw/zinc/74/42/68/434744268.db2.gz XEMVLSBGEXHMCL-MRXNPFEDSA-N 1 0 322.405 3.383 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000361026513 434771042 /nfs/dbraw/zinc/77/10/42/434771042.db2.gz BCJKMIVNFQFFPA-GOEBONIOSA-N 1 0 304.390 3.233 20 5 DGBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC1(C)C ZINC000419316761 434771181 /nfs/dbraw/zinc/77/11/81/434771181.db2.gz QTKJEJBQZFRUBS-NEPJUHHUSA-N 1 0 302.378 3.385 20 5 DGBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC1(C)C ZINC000419316763 434771765 /nfs/dbraw/zinc/77/17/65/434771765.db2.gz QTKJEJBQZFRUBS-RYUDHWBXSA-N 1 0 302.378 3.385 20 5 DGBDRO C[C@@H](C1CCC1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411428539 434779755 /nfs/dbraw/zinc/77/97/55/434779755.db2.gz KVUSUCDFJXIDTM-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411637296 434811350 /nfs/dbraw/zinc/81/13/50/434811350.db2.gz CPAZQQLXZKEDAL-WFASDCNBSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411818539 434832057 /nfs/dbraw/zinc/83/20/57/434832057.db2.gz OWGUGNUTDAIVCZ-DYVFJYSZSA-N 1 0 319.405 3.482 20 5 DGBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])CC1([NH+](C)C)CCC1 ZINC000445871143 434833429 /nfs/dbraw/zinc/83/34/29/434833429.db2.gz ISCLLNWSPZANHS-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO Cc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000453286448 434849343 /nfs/dbraw/zinc/84/93/43/434849343.db2.gz KTKMLMIDFCCECM-KRWDZBQOSA-N 1 0 311.385 3.409 20 5 DGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000412018368 434855182 /nfs/dbraw/zinc/85/51/82/434855182.db2.gz BGLCQHUJROQJTC-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@H]1CC(C)(C)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412043320 434861141 /nfs/dbraw/zinc/86/11/41/434861141.db2.gz NMLSTNKQUKJTKJ-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc3c[nH+]cn3c2)n1 ZINC000521313951 434880705 /nfs/dbraw/zinc/88/07/05/434880705.db2.gz DIKJXPRANHBLBP-UHFFFAOYSA-N 1 0 321.296 3.268 20 5 DGBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)CCCC[NH+](C)C ZINC000521355349 434881187 /nfs/dbraw/zinc/88/11/87/434881187.db2.gz RRFPHPRPICXDMT-UHFFFAOYSA-N 1 0 322.409 3.086 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C12CCC2 ZINC000573265931 434885764 /nfs/dbraw/zinc/88/57/64/434885764.db2.gz NQZGUSJHGLTTKN-CWRNSKLLSA-N 1 0 302.374 3.129 20 5 DGBDRO Cc1cc(N[C@@H](C)C[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461865035 434890844 /nfs/dbraw/zinc/89/08/44/434890844.db2.gz LYWDJSPNQNIJKN-VIFPVBQESA-N 1 0 305.300 3.284 20 5 DGBDRO Cc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461936086 434891574 /nfs/dbraw/zinc/89/15/74/434891574.db2.gz QGPSOXSPGPOMTA-AWEZNQCLSA-N 1 0 321.396 3.210 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@H](c3ccncc3)C2)c(F)c1 ZINC000521894274 434899684 /nfs/dbraw/zinc/89/96/84/434899684.db2.gz NLVHYTGGYXUZOR-LBPRGKRZSA-N 1 0 319.311 3.258 20 5 DGBDRO CN(C)c1ccccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554844806 434948675 /nfs/dbraw/zinc/94/86/75/434948675.db2.gz YSXCGMWHXLZLLV-UHFFFAOYSA-N 1 0 313.401 3.335 20 5 DGBDRO C[C@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC[C@H]1O ZINC000574172166 434956555 /nfs/dbraw/zinc/95/65/55/434956555.db2.gz RKFCAYMUMSIPEY-DJIMGWMZSA-N 1 0 304.390 3.113 20 5 DGBDRO CC(C)CC[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000554526250 434932843 /nfs/dbraw/zinc/93/28/43/434932843.db2.gz BWRVRNOGODCTTL-CYBMUJFWSA-N 1 0 307.394 3.338 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1C ZINC000462888867 434934566 /nfs/dbraw/zinc/93/45/66/434934566.db2.gz HUVQBYABXWACND-GXSJLCMTSA-N 1 0 315.320 3.091 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c(n1)CCC2 ZINC000556787303 435024908 /nfs/dbraw/zinc/02/49/08/435024908.db2.gz AFGTVEFZKDISEX-UHFFFAOYSA-N 1 0 311.385 3.153 20 5 DGBDRO COc1cccc(C2(C[NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000574647139 434993071 /nfs/dbraw/zinc/99/30/71/434993071.db2.gz DZDBDHYMOBCKAQ-UHFFFAOYSA-N 1 0 312.369 3.425 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000464743689 434995888 /nfs/dbraw/zinc/99/58/88/434995888.db2.gz ZSFWHIDNZAFMTD-INIZCTEOSA-N 1 0 322.405 3.493 20 5 DGBDRO CCOc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000531146863 435074552 /nfs/dbraw/zinc/07/45/52/435074552.db2.gz OHZLQPALOHIFHQ-HNNXBMFYSA-N 1 0 319.405 3.058 20 5 DGBDRO CN(C)c1ccccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578337629 435077611 /nfs/dbraw/zinc/07/76/11/435077611.db2.gz MINMHAXJQQVEMM-MRXNPFEDSA-N 1 0 311.385 3.438 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000466471003 435078960 /nfs/dbraw/zinc/07/89/60/435078960.db2.gz BITSMOUZDDVGKJ-SJDLMVEWSA-N 1 0 314.316 3.470 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000556966754 435042016 /nfs/dbraw/zinc/04/20/16/435042016.db2.gz CLBPQXBGAQRVMA-BAAYTWLHSA-N 1 0 304.390 3.093 20 5 DGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)ccc1[N+](=O)[O-] ZINC000492795768 435051274 /nfs/dbraw/zinc/05/12/74/435051274.db2.gz ZGNYZJWVVUQQRX-OAHLLOKOSA-N 1 0 322.405 3.240 20 5 DGBDRO CCOc1cc(C[N@@H+]2CC[C@H](OCC(C)C)C2)ccc1[N+](=O)[O-] ZINC000492795766 435051654 /nfs/dbraw/zinc/05/16/54/435051654.db2.gz ZGNYZJWVVUQQRX-HNNXBMFYSA-N 1 0 322.405 3.240 20 5 DGBDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531714971 435113086 /nfs/dbraw/zinc/11/30/86/435113086.db2.gz IIRNEVBJPFWIBF-GOEBONIOSA-N 1 0 305.422 3.428 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC1CC1)C(C)C ZINC000533034709 435207640 /nfs/dbraw/zinc/20/76/40/435207640.db2.gz LSNWNQADUINTSQ-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000475397625 435196676 /nfs/dbraw/zinc/19/66/76/435196676.db2.gz XDDNQNUSHHCIEP-CYBMUJFWSA-N 1 0 307.394 3.280 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000475565334 435202236 /nfs/dbraw/zinc/20/22/36/435202236.db2.gz LPNXOQBPDDBCOW-HZSPNIEDSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000475565337 435202534 /nfs/dbraw/zinc/20/25/34/435202534.db2.gz LPNXOQBPDDBCOW-MGPQQGTHSA-N 1 0 319.405 3.338 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000532542188 435174957 /nfs/dbraw/zinc/17/49/57/435174957.db2.gz VOTOADDVKLHCAY-GDZNZVCISA-N 1 0 303.406 3.037 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000532572206 435179213 /nfs/dbraw/zinc/17/92/13/435179213.db2.gz NQEDELXTXBOZFA-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H](C1CC1)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000157645213 298259240 /nfs/dbraw/zinc/25/92/40/298259240.db2.gz AZFTYTLNDNJSLO-CQSZACIVSA-N 1 0 314.389 3.092 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000534022895 435264168 /nfs/dbraw/zinc/26/41/68/435264168.db2.gz YPASZQFEHGJUOX-WMLDXEAASA-N 1 0 320.389 3.115 20 5 DGBDRO Cc1ccc(CN2CCC[N@@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000535084028 435316948 /nfs/dbraw/zinc/31/69/48/435316948.db2.gz XEDACOVMRJKKLY-UHFFFAOYSA-N 1 0 305.422 3.209 20 5 DGBDRO CC(C)=CCC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000479292390 435326015 /nfs/dbraw/zinc/32/60/15/435326015.db2.gz YLBFJNOYELCAMM-CYBMUJFWSA-N 1 0 305.378 3.258 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000536862790 435417212 /nfs/dbraw/zinc/41/72/12/435417212.db2.gz IIFIQTHFCRWUFQ-KRWDZBQOSA-N 1 0 316.332 3.390 20 5 DGBDRO Cc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000536013203 435367308 /nfs/dbraw/zinc/36/73/08/435367308.db2.gz VQJVXKVDKHNROL-KRWDZBQOSA-N 1 0 313.401 3.488 20 5 DGBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000567992982 435377815 /nfs/dbraw/zinc/37/78/15/435377815.db2.gz CUYZMGSELNDFDM-GXFFZTMASA-N 1 0 300.786 3.135 20 5 DGBDRO CCCN(CC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000513145674 435379255 /nfs/dbraw/zinc/37/92/55/435379255.db2.gz WUUWBFOZADDHIH-UHFFFAOYSA-N 1 0 305.422 3.293 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccc2c1OCO2 ZINC000568533036 435447721 /nfs/dbraw/zinc/44/77/21/435447721.db2.gz NLSRAUSTXGZPAV-CQSZACIVSA-N 1 0 312.325 3.101 20 5 DGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481411848 435425561 /nfs/dbraw/zinc/42/55/61/435425561.db2.gz KWVSBVWBTFLQLI-GXTWGEPZSA-N 1 0 308.378 3.103 20 5 DGBDRO CN(C)[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000537212925 435429534 /nfs/dbraw/zinc/42/95/34/435429534.db2.gz YSSLOFFYKGGBBY-SBSDFTTDSA-N 1 0 315.373 3.094 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000481755796 435440828 /nfs/dbraw/zinc/44/08/28/435440828.db2.gz LERSNUMVAMEBSJ-IAGOWNOFSA-N 1 0 322.405 3.157 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](CC1CC1)CC1CCC1 ZINC000483267805 435505364 /nfs/dbraw/zinc/50/53/64/435505364.db2.gz CNVDZEULYVGKGT-UHFFFAOYSA-N 1 0 304.390 3.486 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000516024372 435511130 /nfs/dbraw/zinc/51/11/30/435511130.db2.gz SFQJFXJLDXFEMD-SIIHOXLZSA-N 1 0 317.433 3.435 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000569258350 435518351 /nfs/dbraw/zinc/51/83/51/435518351.db2.gz CNKFLMQEKMFLJT-SUMWQHHRSA-N 1 0 315.417 3.189 20 5 DGBDRO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCC1 ZINC000516514132 435535115 /nfs/dbraw/zinc/53/51/15/435535115.db2.gz IOOZPCZVDSJXFX-UHFFFAOYSA-N 1 0 302.334 3.019 20 5 DGBDRO [NH3+]C[C@@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000515465316 435485029 /nfs/dbraw/zinc/48/50/29/435485029.db2.gz WBEDXXYTMGSCGM-QMMMGPOBSA-N 1 0 304.177 3.077 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482957357 435487977 /nfs/dbraw/zinc/48/79/77/435487977.db2.gz ILTMNOHJMWAXJA-XCRHUMRWSA-N 1 0 320.433 3.303 20 5 DGBDRO Cc1c(C[N@H+](CCO)CC2CCCCC2)cccc1[N+](=O)[O-] ZINC000485896761 435581688 /nfs/dbraw/zinc/58/16/88/435581688.db2.gz MNHSXNNISZDSCG-UHFFFAOYSA-N 1 0 306.406 3.278 20 5 DGBDRO Cc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)no1 ZINC000518277594 435632230 /nfs/dbraw/zinc/63/22/30/435632230.db2.gz YEFPHVGFUJIBOQ-UHFFFAOYSA-N 1 0 313.313 3.441 20 5 DGBDRO CC(C)[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488023256 435633855 /nfs/dbraw/zinc/63/38/55/435633855.db2.gz HTSLTUXOXHCEKW-HNNXBMFYSA-N 1 0 311.813 3.020 20 5 DGBDRO COc1cccc2c1C[C@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000570176745 435597224 /nfs/dbraw/zinc/59/72/24/435597224.db2.gz WLLZMFZHYQPUJS-CXAGYDPISA-N 1 0 324.380 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](c4ccncc4)C3)nc2c1 ZINC000570695023 435642257 /nfs/dbraw/zinc/64/22/57/435642257.db2.gz PPCWWNHKUATBAM-CYBMUJFWSA-N 1 0 324.340 3.121 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCOC[C@H]1C1CCC1 ZINC000570680392 435640018 /nfs/dbraw/zinc/64/00/18/435640018.db2.gz VWIFIUCRUUXQGD-HNNXBMFYSA-N 1 0 310.781 3.249 20 5 DGBDRO CCCNC(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000519601597 435692034 /nfs/dbraw/zinc/69/20/34/435692034.db2.gz DXWBZDFRJFXWSN-UHFFFAOYSA-N 1 0 321.421 3.112 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000571787991 435735386 /nfs/dbraw/zinc/73/53/86/435735386.db2.gz WVWKKXIMYHXKMZ-NSHDSACASA-N 1 0 309.797 3.453 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548753087 435715279 /nfs/dbraw/zinc/71/52/79/435715279.db2.gz FCWIGASMMDVJLX-IIYDPXPESA-N 1 0 304.390 3.464 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCCC1(C)C ZINC000552356379 435897872 /nfs/dbraw/zinc/89/78/72/435897872.db2.gz QHUUGJLMNDXUQB-KBXCAEBGSA-N 1 0 320.433 3.447 20 5 DGBDRO COC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000174596039 312763983 /nfs/dbraw/zinc/76/39/83/312763983.db2.gz LHZZAVJGMWLUGA-UHFFFAOYSA-N 1 0 304.346 3.369 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000530690621 313397011 /nfs/dbraw/zinc/39/70/11/313397011.db2.gz JGTCOGSHGKCRGZ-XBFCOCLRSA-N 1 0 319.405 3.399 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)c1cccc(F)c1 ZINC000540184855 313951141 /nfs/dbraw/zinc/95/11/41/313951141.db2.gz XLVTZDZXGMYXPY-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO COC(=O)C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000542533995 314083504 /nfs/dbraw/zinc/08/35/04/314083504.db2.gz RWEIWIKCLUZLCA-OAHLLOKOSA-N 1 0 320.389 3.196 20 5 DGBDRO Cc1cc(N2CCO[C@@H](C(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543050878 314111831 /nfs/dbraw/zinc/11/18/31/314111831.db2.gz NFOQWPLQRWHWCV-QGZVFWFLSA-N 1 0 315.373 3.313 20 5 DGBDRO CCc1ccc([C@@H](CO)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000543836721 314160221 /nfs/dbraw/zinc/16/02/21/314160221.db2.gz SVJLGSSQTBNZMT-GOSISDBHSA-N 1 0 314.385 3.023 20 5 DGBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000544847331 314213973 /nfs/dbraw/zinc/21/39/73/314213973.db2.gz PYNSSJLTAJZMIG-UHFFFAOYSA-N 1 0 317.336 3.340 20 5 DGBDRO CCOc1cccc(N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000547287069 314353828 /nfs/dbraw/zinc/35/38/28/314353828.db2.gz YVTONFVVKQOIAT-GFCCVEGCSA-N 1 0 309.410 3.382 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000547738738 314391071 /nfs/dbraw/zinc/39/10/71/314391071.db2.gz PRFDHUONWGJPES-SJORKVTESA-N 1 0 318.417 3.465 20 5 DGBDRO O=C(CC[NH2+]CCC1=CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000558573724 314850576 /nfs/dbraw/zinc/85/05/76/314850576.db2.gz RXLOPCUCDQBUHI-UHFFFAOYSA-N 1 0 317.389 3.404 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOc1cccc(F)c1 ZINC000563634820 315128885 /nfs/dbraw/zinc/12/88/85/315128885.db2.gz FIBPZNOXYZDAJR-MRXNPFEDSA-N 1 0 316.332 3.390 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000564593437 315185055 /nfs/dbraw/zinc/18/50/55/315185055.db2.gz LGNKAPCDQYJWFR-NWDGAFQWSA-N 1 0 301.346 3.416 20 5 DGBDRO CCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000564611599 315186272 /nfs/dbraw/zinc/18/62/72/315186272.db2.gz JEFJGPWIDMDOLI-AWEZNQCLSA-N 1 0 319.405 3.496 20 5 DGBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CO1 ZINC000564961200 315214823 /nfs/dbraw/zinc/21/48/23/315214823.db2.gz NQERSSMZUSKFKJ-RYUDHWBXSA-N 1 0 302.330 3.122 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000564986557 315217402 /nfs/dbraw/zinc/21/74/02/315217402.db2.gz PFZBZPZODJTJBS-HOTGVXAUSA-N 1 0 304.390 3.294 20 5 DGBDRO CC(C)[NH+](CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000565606986 315274617 /nfs/dbraw/zinc/27/46/17/315274617.db2.gz FJDCXACSHHGEPJ-INIZCTEOSA-N 1 0 305.422 3.291 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000566428232 315344794 /nfs/dbraw/zinc/34/47/94/315344794.db2.gz CFJHTILKYZGHIP-MFKMUULPSA-N 1 0 316.361 3.484 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)C1CCCCC1 ZINC000566475987 315351130 /nfs/dbraw/zinc/35/11/30/315351130.db2.gz RRPAKQKZQXSECA-DOTOQJQBSA-N 1 0 304.390 3.113 20 5 DGBDRO CCc1nc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cs1 ZINC000568768511 315535273 /nfs/dbraw/zinc/53/52/73/315535273.db2.gz WCZDQWGACYCZPM-CQSZACIVSA-N 1 0 317.414 3.433 20 5 DGBDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1ccc([N+](=O)[O-])nc1)[NH+](C)C ZINC000572331424 315784442 /nfs/dbraw/zinc/78/44/42/315784442.db2.gz IIWHWDAPUCBZQM-CXAGYDPISA-N 1 0 314.389 3.402 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000574876292 316010155 /nfs/dbraw/zinc/01/01/55/316010155.db2.gz BTRSAJWZDLSFNP-FRRDWIJNSA-N 1 0 323.368 3.182 20 5 DGBDRO Cc1ncsc1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575329555 316048712 /nfs/dbraw/zinc/04/87/12/316048712.db2.gz KODIDMXEBORZQJ-CYBMUJFWSA-N 1 0 303.387 3.179 20 5 DGBDRO CC(C)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000576002417 316084929 /nfs/dbraw/zinc/08/49/29/316084929.db2.gz WWYIHOJBLQFSGF-MRXNPFEDSA-N 1 0 317.433 3.294 20 5 DGBDRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000576982874 316189010 /nfs/dbraw/zinc/18/90/10/316189010.db2.gz BXVHQXLGEROUJW-UPJWGTAASA-N 1 0 319.405 3.336 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577648805 316256994 /nfs/dbraw/zinc/25/69/94/316256994.db2.gz KHUGSMLHXVSVRQ-LRDDRELGSA-N 1 0 314.389 3.013 20 5 DGBDRO Cc1cccc([C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C(C)(C)C)c1 ZINC000180788085 323238045 /nfs/dbraw/zinc/23/80/45/323238045.db2.gz MFCODIOVTDEGDW-MRXNPFEDSA-N 1 0 316.405 3.477 20 5 DGBDRO Cc1cccc([C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C(C)(C)C)c1 ZINC000180788070 323238222 /nfs/dbraw/zinc/23/82/22/323238222.db2.gz MFCODIOVTDEGDW-INIZCTEOSA-N 1 0 316.405 3.477 20 5 DGBDRO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000181149037 323247347 /nfs/dbraw/zinc/24/73/47/323247347.db2.gz JOQZNHAWFWZCEK-UHFFFAOYSA-N 1 0 314.385 3.368 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000181527999 323257803 /nfs/dbraw/zinc/25/78/03/323257803.db2.gz AJMVHEFUJHPTFG-SFHVURJKSA-N 1 0 312.369 3.038 20 5 DGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182945464 323317281 /nfs/dbraw/zinc/31/72/81/323317281.db2.gz LDGYDYXYKHQWHX-CYBMUJFWSA-N 1 0 319.405 3.482 20 5 DGBDRO CCOc1cccc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000184134887 323356375 /nfs/dbraw/zinc/35/63/75/323356375.db2.gz AXTDAZBIJLZIIF-AWEZNQCLSA-N 1 0 321.421 3.383 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000386948680 323640925 /nfs/dbraw/zinc/64/09/25/323640925.db2.gz SORBWERPRRWQRZ-GFCCVEGCSA-N 1 0 304.321 3.464 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCCCn2ccnc2)cc1[N+](=O)[O-] ZINC000387326253 323644581 /nfs/dbraw/zinc/64/45/81/323644581.db2.gz SDUDOZTYXYJYEQ-CQSZACIVSA-N 1 0 302.378 3.231 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)Cn1cccn1 ZINC000580808274 324040506 /nfs/dbraw/zinc/04/05/06/324040506.db2.gz FDOHSUPTMFWFFZ-MZLJFPOFSA-N 1 0 314.389 3.121 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000581479381 324121423 /nfs/dbraw/zinc/12/14/23/324121423.db2.gz VTQXIINWWQPANF-LBPRGKRZSA-N 1 0 309.797 3.074 20 5 DGBDRO CC[C@@H](C)C[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584227235 331870482 /nfs/dbraw/zinc/87/04/82/331870482.db2.gz LBUGNABCOUOKQN-OLZOCXBDSA-N 1 0 307.394 3.338 20 5 DGBDRO C[C@H](CCO)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000294690424 533962027 /nfs/dbraw/zinc/96/20/27/533962027.db2.gz BRFNBIPZGVQQKC-ZDUSSCGKSA-N 1 0 318.373 3.353 20 5 DGBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[N@H+](C)Cc1ccccc1 ZINC000413149304 534099171 /nfs/dbraw/zinc/09/91/71/534099171.db2.gz UOZZRDDDISIWFE-LBPRGKRZSA-N 1 0 318.352 3.061 20 5 DGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000443507651 534134637 /nfs/dbraw/zinc/13/46/37/534134637.db2.gz GVOWQKPBPFEVPC-YPMHNXCESA-N 1 0 318.402 3.299 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O)(C(F)F)CC1 ZINC000331157663 534346182 /nfs/dbraw/zinc/34/61/82/534346182.db2.gz QCDRQVNPTJTBEU-NSHDSACASA-N 1 0 314.332 3.056 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](CCO)CSC)c1cccc([N+](=O)[O-])c1 ZINC000160284644 521170485 /nfs/dbraw/zinc/17/04/85/521170485.db2.gz VQKNIGXKJBFYMH-ZFWWWQNUSA-N 1 0 312.435 3.140 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCOCC1 ZINC000271107547 522618122 /nfs/dbraw/zinc/61/81/22/522618122.db2.gz GMVONSYWRUKYGI-LBPRGKRZSA-N 1 0 310.419 3.234 20 5 DGBDRO CCc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000157671206 523922198 /nfs/dbraw/zinc/92/21/98/523922198.db2.gz YUIJZGWXUCHDGL-UHFFFAOYSA-N 1 0 314.389 3.018 20 5 DGBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000451786477 536468452 /nfs/dbraw/zinc/46/84/52/536468452.db2.gz WYCSAIXJVXCJII-CYBMUJFWSA-N 1 0 314.813 3.477 20 5 DGBDRO CC(=O)c1ccc(NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000420625695 527314616 /nfs/dbraw/zinc/31/46/16/527314616.db2.gz LEOJOLODTVOXOX-UHFFFAOYSA-N 1 0 305.378 3.082 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCOCC(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433081772 527742703 /nfs/dbraw/zinc/74/27/03/527742703.db2.gz HHEIFNQXCIFOLH-ZDUSSCGKSA-N 1 0 314.332 3.189 20 5 DGBDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415032106 527795149 /nfs/dbraw/zinc/79/51/49/527795149.db2.gz FMYUFIQNCANKAX-MRXNPFEDSA-N 1 0 315.373 3.085 20 5 DGBDRO CC1CC[NH+](CCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000320766977 528247162 /nfs/dbraw/zinc/24/71/62/528247162.db2.gz GUEYZHOSYDYPSA-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[N@H+](CCNc1nccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413106760 528520042 /nfs/dbraw/zinc/52/00/42/528520042.db2.gz JZJTZIBGZVLDKC-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO CCOc1cccc(NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302129728 528673514 /nfs/dbraw/zinc/67/35/14/528673514.db2.gz XSQKTLCHSKLILZ-CYBMUJFWSA-N 1 0 307.394 3.137 20 5 DGBDRO CCOc1cccc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000302139472 528675649 /nfs/dbraw/zinc/67/56/49/528675649.db2.gz GBSQVHCNKNQTQA-QWHCGFSZSA-N 1 0 307.394 3.278 20 5 DGBDRO CCC(CC)[N@H+](CCOC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444626584 528778818 /nfs/dbraw/zinc/77/88/18/528778818.db2.gz UWQHUAMUTBEHDE-UHFFFAOYSA-N 1 0 320.393 3.108 20 5 DGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413292364 528829383 /nfs/dbraw/zinc/82/93/83/528829383.db2.gz ANOOJSUKSUIKNO-GFCCVEGCSA-N 1 0 302.378 3.284 20 5 DGBDRO CC(C)N(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000444826747 528900810 /nfs/dbraw/zinc/90/08/10/528900810.db2.gz NFMATCIOOBBICO-UHFFFAOYSA-N 1 0 319.327 3.390 20 5 DGBDRO CC[NH+]1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296620983 528990401 /nfs/dbraw/zinc/99/04/01/528990401.db2.gz UTJWQYICTREDGN-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413094806 529050494 /nfs/dbraw/zinc/05/04/94/529050494.db2.gz QVPQJJJNTDZODY-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000429772103 529229229 /nfs/dbraw/zinc/22/92/29/529229229.db2.gz IWSHMEOAZCQZJI-BBRMVZONSA-N 1 0 319.405 3.400 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429774994 529322234 /nfs/dbraw/zinc/32/22/34/529322234.db2.gz ORJBSHYNTJXZKI-BXUZGUMPSA-N 1 0 316.361 3.313 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000319105673 529343793 /nfs/dbraw/zinc/34/37/93/529343793.db2.gz LINQVVHJCNYYDP-SECBINFHSA-N 1 0 320.315 3.151 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451502123 534927723 /nfs/dbraw/zinc/92/77/23/534927723.db2.gz PWMHLBUVPLEUPU-CABCVRRESA-N 1 0 310.369 3.416 20 5 DGBDRO CCN1CCCC[C@@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468648827 535488099 /nfs/dbraw/zinc/48/80/99/535488099.db2.gz MZRCYEXJNGIXNV-VHUCWBOISA-N 1 0 317.433 3.462 20 5 DGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000452016714 535753783 /nfs/dbraw/zinc/75/37/83/535753783.db2.gz KAFWIKYCKNCFDR-NVXWUHKLSA-N 1 0 322.405 3.429 20 5 DGBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449639727 536008727 /nfs/dbraw/zinc/00/87/27/536008727.db2.gz QEKJXODEYGLXCR-HOTGVXAUSA-N 1 0 318.373 3.494 20 5 DGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468617862 536621614 /nfs/dbraw/zinc/62/16/14/536621614.db2.gz CFYOWGVVRAVARM-NSBLKUNKSA-N 1 0 304.390 3.403 20 5 DGBDRO COCC1(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449341317 536819765 /nfs/dbraw/zinc/81/97/65/536819765.db2.gz SZMFBQACTGRXMB-CQSZACIVSA-N 1 0 306.406 3.322 20 5 DGBDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000594039198 574521512 /nfs/dbraw/zinc/52/15/12/574521512.db2.gz FSUQXZHDTBBQFI-HNNXBMFYSA-N 1 0 308.378 3.051 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)sc2c1 ZINC000731206701 574545273 /nfs/dbraw/zinc/54/52/73/574545273.db2.gz PDMBAYJCPORCGG-QWRGUYRKSA-N 1 0 318.402 3.243 20 5 DGBDRO CC[N@H+](CCNc1nc2ccc([N+](=O)[O-])cc2s1)C(C)C ZINC000731210138 574545313 /nfs/dbraw/zinc/54/53/13/574545313.db2.gz PPVPKAYMNQGWLQ-UHFFFAOYSA-N 1 0 308.407 3.347 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCc3ccccc3CC2)c1 ZINC000738227475 574861762 /nfs/dbraw/zinc/86/17/62/574861762.db2.gz VMSUPNGOMSQORZ-UHFFFAOYSA-N 1 0 322.368 3.003 20 5 DGBDRO C[C@@H]1C[C@@H](C)[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000740859990 574943762 /nfs/dbraw/zinc/94/37/62/574943762.db2.gz ODVFPBJHONCMDU-CHWSQXEVSA-N 1 0 300.362 3.146 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000748261645 575576565 /nfs/dbraw/zinc/57/65/65/575576565.db2.gz IFMQYBXCXGUXJD-CYBMUJFWSA-N 1 0 317.393 3.179 20 5 DGBDRO O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000749352662 575646721 /nfs/dbraw/zinc/64/67/21/575646721.db2.gz MTHORNBWMLXJBT-MRXNPFEDSA-N 1 0 318.373 3.045 20 5 DGBDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749675429 575671721 /nfs/dbraw/zinc/67/17/21/575671721.db2.gz LFNRZSSXRFVUOH-KBXCAEBGSA-N 1 0 314.385 3.157 20 5 DGBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000749685310 575671839 /nfs/dbraw/zinc/67/18/39/575671839.db2.gz FGLSLNXESQJLFK-SJCJKPOMSA-N 1 0 318.348 3.161 20 5 DGBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000749685312 575672055 /nfs/dbraw/zinc/67/20/55/575672055.db2.gz FGLSLNXESQJLFK-SJKOYZFVSA-N 1 0 318.348 3.161 20 5 DGBDRO CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CCCCC1 ZINC000749937843 575689821 /nfs/dbraw/zinc/68/98/21/575689821.db2.gz PVIRTKOEJZNMKL-UHFFFAOYSA-N 1 0 317.393 3.260 20 5 DGBDRO Cc1nn(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749940942 575690744 /nfs/dbraw/zinc/69/07/44/575690744.db2.gz MFIHECVJFCVCHK-DGCLKSJQSA-N 1 0 317.393 3.116 20 5 DGBDRO Cc1nn(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749955903 575692227 /nfs/dbraw/zinc/69/22/27/575692227.db2.gz UYVNXNKZNIJVAC-NEPJUHHUSA-N 1 0 317.393 3.116 20 5 DGBDRO CC(C)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750075560 575702160 /nfs/dbraw/zinc/70/21/60/575702160.db2.gz KQCIRMJIJVIXLF-PBHICJAKSA-N 1 0 306.406 3.386 20 5 DGBDRO Nc1ccc(NCCCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000202011784 575967378 /nfs/dbraw/zinc/96/73/78/575967378.db2.gz IIEFEGKRECLZSH-UHFFFAOYSA-N 1 0 306.410 3.245 20 5 DGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154175605 620644942 /nfs/dbraw/zinc/64/49/42/620644942.db2.gz WSZUSEGEEFEFHC-KGLIPLIRSA-N 1 0 323.824 3.307 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000852762108 620646657 /nfs/dbraw/zinc/64/66/57/620646657.db2.gz YRZACHAVKRFWBS-PJOPYLDSSA-N 1 0 324.380 3.249 20 5 DGBDRO CN(CC1([NH+](C)C)CCC1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853516642 620704517 /nfs/dbraw/zinc/70/45/17/620704517.db2.gz MQEXEQHTLBQCEW-UHFFFAOYSA-N 1 0 313.348 3.453 20 5 DGBDRO C[N@H+](CCC(C)(C)C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853519534 620705464 /nfs/dbraw/zinc/70/54/64/620705464.db2.gz YWWQEJBAWJXRRP-UHFFFAOYSA-N 1 0 317.393 3.179 20 5 DGBDRO Cc1cccc(C)c1[C@H]1CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000853521999 620706001 /nfs/dbraw/zinc/70/60/01/620706001.db2.gz HYQJIHMYZRTNPI-OAHLLOKOSA-N 1 0 300.362 3.203 20 5 DGBDRO Cc1cccc(C)c1[C@@H]1CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000853521998 620706187 /nfs/dbraw/zinc/70/61/87/620706187.db2.gz HYQJIHMYZRTNPI-HNNXBMFYSA-N 1 0 300.362 3.203 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000853747644 620732667 /nfs/dbraw/zinc/73/26/67/620732667.db2.gz WBOCKABMDMVWHO-LLVKDONJSA-N 1 0 322.365 3.035 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000804655236 617604802 /nfs/dbraw/zinc/60/48/02/617604802.db2.gz KQLPBQCLDRRWQK-OAHLLOKOSA-N 1 0 317.389 3.226 20 5 DGBDRO CCCCCC[N@H+](C)CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000111572127 620736351 /nfs/dbraw/zinc/73/63/51/620736351.db2.gz ZWEXHFJCAHALEI-AWEZNQCLSA-N 1 0 321.421 3.284 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000891803910 617902852 /nfs/dbraw/zinc/90/28/52/617902852.db2.gz LYRPEYFMCIQODY-WCQYABFASA-N 1 0 306.362 3.074 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000840870917 618043956 /nfs/dbraw/zinc/04/39/56/618043956.db2.gz AVPGKBZKNQRQFU-IUCAKERBSA-N 1 0 305.300 3.416 20 5 DGBDRO C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840875465 618051434 /nfs/dbraw/zinc/05/14/34/618051434.db2.gz FMUNSLAGTIJADQ-NSHDSACASA-N 1 0 307.394 3.033 20 5 DGBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782488005 618105353 /nfs/dbraw/zinc/10/53/53/618105353.db2.gz PJMGGNMZLZLABR-CQSZACIVSA-N 1 0 314.769 3.070 20 5 DGBDRO C/C=C\C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000894480174 618349624 /nfs/dbraw/zinc/34/96/24/618349624.db2.gz MOGGCOSJQIYDOL-OTDNITJGSA-N 1 0 319.188 3.318 20 5 DGBDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000894480173 618349726 /nfs/dbraw/zinc/34/97/26/618349726.db2.gz MOGGCOSJQIYDOL-KXMPLOMGSA-N 1 0 319.188 3.318 20 5 DGBDRO Cc1ncc(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000893202092 618473651 /nfs/dbraw/zinc/47/36/51/618473651.db2.gz ZAGDWZWSARZSBU-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO CC1=NO[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000895303365 618592264 /nfs/dbraw/zinc/59/22/64/618592264.db2.gz GCSXWDJDUHTMHX-CWRNSKLLSA-N 1 0 317.389 3.060 20 5 DGBDRO CCCSC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000894057168 618701619 /nfs/dbraw/zinc/70/16/19/618701619.db2.gz UYJKZNADKBVONY-JTQLQIEISA-N 1 0 308.407 3.092 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000894107951 618712251 /nfs/dbraw/zinc/71/22/51/618712251.db2.gz NCRIIKBTDXDDTH-UHFFFAOYSA-N 1 0 324.808 3.281 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1CSC1 ZINC000895422246 618783025 /nfs/dbraw/zinc/78/30/25/618783025.db2.gz XGQPWGCNMMRMLD-DZGCQCFKSA-N 1 0 306.431 3.259 20 5 DGBDRO CCC[C@H](C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895533505 618795295 /nfs/dbraw/zinc/79/52/95/618795295.db2.gz XWRQLNVHYWTEIE-AWEZNQCLSA-N 1 0 320.437 3.375 20 5 DGBDRO CCC[C@@H](C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895533507 618795320 /nfs/dbraw/zinc/79/53/20/618795320.db2.gz XWRQLNVHYWTEIE-CQSZACIVSA-N 1 0 320.437 3.375 20 5 DGBDRO CC1([NH+]2CCCC2)CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000895522620 618795718 /nfs/dbraw/zinc/79/57/18/618795718.db2.gz GNXHHTVHYDDTOA-UHFFFAOYSA-N 1 0 322.384 3.338 20 5 DGBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000895662548 618814304 /nfs/dbraw/zinc/81/43/04/618814304.db2.gz RFYNJAWSFXULLI-KRWDZBQOSA-N 1 0 314.385 3.239 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@H](C)[C@]23C[C@H]2CCCC3)c1[N+](=O)[O-] ZINC000895752187 618827092 /nfs/dbraw/zinc/82/70/92/618827092.db2.gz GPGXAPUTWAODLV-NDGTYSDOSA-N 1 0 320.389 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC3(CCC3)CO2)cc1Cl ZINC000895792437 618831530 /nfs/dbraw/zinc/83/15/30/618831530.db2.gz ZOZZUUAVUVVIGU-GFCCVEGCSA-N 1 0 310.781 3.297 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895843289 618837923 /nfs/dbraw/zinc/83/79/23/618837923.db2.gz ATIXFEQVTUIWQK-MBMZNTITSA-N 1 0 316.401 3.499 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cccc(F)c1N)c1ccccc1[N+](=O)[O-] ZINC000897460549 619130161 /nfs/dbraw/zinc/13/01/61/619130161.db2.gz HZYYEHPXLWJXMA-NSHDSACASA-N 1 0 303.337 3.209 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)ncn2C)c1ccccc1[N+](=O)[O-] ZINC000897465809 619130585 /nfs/dbraw/zinc/13/05/85/619130585.db2.gz IOEIEEQWCKPNDA-ZDUSSCGKSA-N 1 0 324.384 3.375 20 5 DGBDRO Cc1nn(C)c(Cl)c1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469954 619131807 /nfs/dbraw/zinc/13/18/07/619131807.db2.gz USFNYYZWJBWKQA-JTQLQIEISA-N 1 0 322.796 3.183 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897529214 619149560 /nfs/dbraw/zinc/14/95/60/619149560.db2.gz WVHRZVCEVCBMNT-CQSZACIVSA-N 1 0 318.417 3.201 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCC[C@H]2O)cc1Cl ZINC000897536894 619150989 /nfs/dbraw/zinc/15/09/89/619150989.db2.gz XPCBJKUKNHNRIT-IUODEOHRSA-N 1 0 312.797 3.279 20 5 DGBDRO [NH3+]CCc1ccc(CNCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000841032020 619166503 /nfs/dbraw/zinc/16/65/03/619166503.db2.gz GOKBUWVXGFAWIJ-UHFFFAOYSA-N 1 0 319.792 3.039 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCCC3(CC3)C2)c1[N+](=O)[O-] ZINC000897772573 619178796 /nfs/dbraw/zinc/17/87/96/619178796.db2.gz YFOTXIGGDNNHQY-GFCCVEGCSA-N 1 0 306.362 3.121 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CCCC3(CC3)C2)c([N+](=O)[O-])cc1O ZINC000897773658 619178910 /nfs/dbraw/zinc/17/89/10/619178910.db2.gz KLPHNFWEXRBYLE-GFCCVEGCSA-N 1 0 306.362 3.121 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc2nonc2c1 ZINC000897989191 619203968 /nfs/dbraw/zinc/20/39/68/619203968.db2.gz AIAGDOCBUAEJLQ-UHFFFAOYSA-N 1 0 312.329 3.038 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927065924 619261534 /nfs/dbraw/zinc/26/15/34/619261534.db2.gz BFXMRBDYQOCLHG-XGWLTEMNSA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@]12CSC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000898423434 619274793 /nfs/dbraw/zinc/27/47/93/619274793.db2.gz UNPFUGWZKMBNHY-RISCZKNCSA-N 1 0 312.822 3.433 20 5 DGBDRO C[NH2+][C@@H](C)c1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901398759 619495649 /nfs/dbraw/zinc/49/56/49/619495649.db2.gz YQXUCSQOIVHRDD-NSHDSACASA-N 1 0 316.361 3.130 20 5 DGBDRO C[C@H](C[NH2+]Cc1cn(C2CC2)cn1)c1ccccc1[N+](=O)[O-] ZINC000902672229 619661828 /nfs/dbraw/zinc/66/18/28/619661828.db2.gz SCDKVUCBBOLZPA-GFCCVEGCSA-N 1 0 300.362 3.020 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)cc1[N+](=O)[O-] ZINC000902874172 619685270 /nfs/dbraw/zinc/68/52/70/619685270.db2.gz DHGSLFMTRFUSRA-CDWYPIIHSA-N 1 0 316.401 3.367 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccsc2)cc([N+](=O)[O-])c1 ZINC000903100430 619716275 /nfs/dbraw/zinc/71/62/75/619716275.db2.gz RTNOKPBGYZHVSY-ZUZCIYMTSA-N 1 0 322.386 3.049 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc([N+](=O)[O-])c1 ZINC000903099675 619716325 /nfs/dbraw/zinc/71/63/25/619716325.db2.gz LIFCKDOKTFGLFM-UGGSBELWSA-N 1 0 320.389 3.068 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCCc2nccs2)cc([N+](=O)[O-])c1 ZINC000903117407 619720802 /nfs/dbraw/zinc/72/08/02/619720802.db2.gz AJGPKFLXKOSWQY-LLVKDONJSA-N 1 0 321.402 3.343 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCOCC2CCC2)cc([N+](=O)[O-])c1 ZINC000903152702 619725649 /nfs/dbraw/zinc/72/56/49/619725649.db2.gz PPLWUQUGZWXDQE-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCCC2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903178877 619731047 /nfs/dbraw/zinc/73/10/47/619731047.db2.gz ZOJLTMSZPSAWMH-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000903181247 619731706 /nfs/dbraw/zinc/73/17/06/619731706.db2.gz OCYBBDBXTTVSDE-ZWKOPEQDSA-N 1 0 318.295 3.355 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(C)cn2)cc([N+](=O)[O-])c1 ZINC000903183714 619731980 /nfs/dbraw/zinc/73/19/80/619731980.db2.gz QDFYZIMUBGJYMV-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903183278 619732179 /nfs/dbraw/zinc/73/21/79/619732179.db2.gz NMHZJGGAGVIHPR-OLZOCXBDSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)cc([N+](=O)[O-])c1 ZINC000903193135 619733560 /nfs/dbraw/zinc/73/35/60/619733560.db2.gz CTVQJJIFUOXKQD-HFBAOOFYSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCOC2(C)C)cc([N+](=O)[O-])c1 ZINC000903202799 619735970 /nfs/dbraw/zinc/73/59/70/619735970.db2.gz GGFNMFPMGUDNKR-WCQYABFASA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903188341 619737086 /nfs/dbraw/zinc/73/70/86/619737086.db2.gz ZBCMEWQWUYLNLI-CHWSQXEVSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)cc([N+](=O)[O-])c1 ZINC000903220104 619740996 /nfs/dbraw/zinc/74/09/96/619740996.db2.gz KJKCPVLFZOJWOJ-IUODEOHRSA-N 1 0 320.389 3.356 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)cc([N+](=O)[O-])c1 ZINC000903220489 619741006 /nfs/dbraw/zinc/74/10/06/619741006.db2.gz MCQXRCBRUTWXJM-JLZZUVOBSA-N 1 0 320.389 3.356 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C2CCC3(COC3)CC2)cc([N+](=O)[O-])c1 ZINC000903222201 619741573 /nfs/dbraw/zinc/74/15/73/619741573.db2.gz YHIVSONKRQLONT-LBPRGKRZSA-N 1 0 320.389 3.213 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000903244828 619743397 /nfs/dbraw/zinc/74/33/97/619743397.db2.gz DYWADXJSWQPIRA-XUWXXGDYSA-N 1 0 318.417 3.493 20 5 DGBDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244946 619743672 /nfs/dbraw/zinc/74/36/72/619743672.db2.gz GUQOPJKDQZQRLE-VNQPRFMTSA-N 1 0 306.406 3.349 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000903245017 619743733 /nfs/dbraw/zinc/74/37/33/619743733.db2.gz IBBKBIOBNCKGAL-WCQYABFASA-N 1 0 302.378 3.091 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000903259818 619746837 /nfs/dbraw/zinc/74/68/37/619746837.db2.gz QPDIZHQUGCAEOR-KEYYUXOJSA-N 1 0 306.406 3.495 20 5 DGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246796 619747878 /nfs/dbraw/zinc/74/78/78/619747878.db2.gz XBFDWURRJMSVCU-VXGBXAGGSA-N 1 0 302.378 3.091 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000903247074 619748216 /nfs/dbraw/zinc/74/82/16/619748216.db2.gz YIKDHRAGUVGRFU-SWLSCSKDSA-N 1 0 302.378 3.173 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000903278588 619751243 /nfs/dbraw/zinc/75/12/43/619751243.db2.gz GOBWCAVPOJXQPF-ZHEUNLNZSA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](CCO)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000903296531 619752621 /nfs/dbraw/zinc/75/26/21/619752621.db2.gz KITBLFLQZMJCRT-SJCJKPOMSA-N 1 0 322.405 3.195 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@]1(OC)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000903311204 619757744 /nfs/dbraw/zinc/75/77/44/619757744.db2.gz QGOOFROUKWJDPT-CABCVRRESA-N 1 0 310.419 3.158 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]3CCC[C@H]32)n1 ZINC000903315369 619758433 /nfs/dbraw/zinc/75/84/33/619758433.db2.gz FKTQFTIWLQJWTI-UXXRCYHCSA-N 1 0 304.394 3.053 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@]1(OC(C)C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000903359700 619765307 /nfs/dbraw/zinc/76/53/07/619765307.db2.gz DQIQOKWSADWMND-SJORKVTESA-N 1 0 322.405 3.220 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCOC12CCCC2 ZINC000903390974 619770821 /nfs/dbraw/zinc/77/08/21/619770821.db2.gz XSMNKQQISLHWIF-MLGOLLRUSA-N 1 0 320.389 3.356 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@H](O)C1CC1)CCCC2 ZINC000903406213 619771442 /nfs/dbraw/zinc/77/14/42/619771442.db2.gz HKKPACDXNNVNKV-SJORKVTESA-N 1 0 304.390 3.113 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000903450032 619778706 /nfs/dbraw/zinc/77/87/06/619778706.db2.gz DDDUGDGCCBRIEJ-MCIONIFRSA-N 1 0 320.389 3.286 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000903451690 619778953 /nfs/dbraw/zinc/77/89/53/619778953.db2.gz WPWPNWBUSFSBNW-BJJXKVORSA-N 1 0 320.389 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000903960078 619840021 /nfs/dbraw/zinc/84/00/21/619840021.db2.gz WPDPCPJRTJWEKB-MRXNPFEDSA-N 1 0 323.824 3.214 20 5 DGBDRO C[C@@H]1C[NH2+]C[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000903964423 619849425 /nfs/dbraw/zinc/84/94/25/619849425.db2.gz QHIQXWYWICDUPH-BXUZGUMPSA-N 1 0 317.414 3.021 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908268958 620197365 /nfs/dbraw/zinc/19/73/65/620197365.db2.gz RYPLFHNXGDAIMI-HIFRSBDPSA-N 1 0 317.389 3.167 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000915207796 620573455 /nfs/dbraw/zinc/57/34/55/620573455.db2.gz CCMOHICJNZBNCT-NILFDRSVSA-N 1 0 306.410 3.266 20 5 DGBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C ZINC000922557493 621056928 /nfs/dbraw/zinc/05/69/28/621056928.db2.gz PEUMMTAIZJMILW-MLGOLLRUSA-N 1 0 315.373 3.037 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922731635 621092029 /nfs/dbraw/zinc/09/20/29/621092029.db2.gz FSUXINZTURJPPZ-HRHAQSILSA-N 1 0 300.280 3.396 20 5 DGBDRO CC(C)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000922892320 621119985 /nfs/dbraw/zinc/11/99/85/621119985.db2.gz AESYBHRBMLKKGY-JKNJVXJCSA-N 1 0 314.389 3.328 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000857860296 621123962 /nfs/dbraw/zinc/12/39/62/621123962.db2.gz YKBXANQLVMISIL-INIZCTEOSA-N 1 0 314.389 3.308 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)c1 ZINC000922959933 621136828 /nfs/dbraw/zinc/13/68/28/621136828.db2.gz HDBIPTZWIUTBAE-GOSISDBHSA-N 1 0 312.369 3.390 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858285129 621171449 /nfs/dbraw/zinc/17/14/49/621171449.db2.gz GYPXLGSZMHHHDD-OAHLLOKOSA-N 1 0 323.824 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000838986792 621311490 /nfs/dbraw/zinc/31/14/90/621311490.db2.gz NCVRMABOFLPQTI-INIZCTEOSA-N 1 0 320.776 3.114 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C12CCC2 ZINC000839183796 621344343 /nfs/dbraw/zinc/34/43/43/621344343.db2.gz ZJPKHEIEDGAPRN-UONOGXRCSA-N 1 0 310.781 3.295 20 5 DGBDRO O=C(C[N@@H+]1CCC[C@H]1C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839479732 621379994 /nfs/dbraw/zinc/37/99/94/621379994.db2.gz GTUUMOBGUXSGNO-ZDUSSCGKSA-N 1 0 323.780 3.061 20 5 DGBDRO C[C@H]1CSCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000754156728 621492511 /nfs/dbraw/zinc/49/25/11/621492511.db2.gz UBNFDESIUYDYFL-SNVBAGLBSA-N 1 0 300.811 3.433 20 5 DGBDRO C[C@@]1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCS1 ZINC000862212642 621562147 /nfs/dbraw/zinc/56/21/47/621562147.db2.gz UJQWBHATZJMQRX-INIZCTEOSA-N 1 0 321.446 3.003 20 5 DGBDRO Cc1c(F)nccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000862301556 621573238 /nfs/dbraw/zinc/57/32/38/621573238.db2.gz MZOUKVPWTBZNOG-UHFFFAOYSA-N 1 0 323.755 3.423 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000862541669 621598918 /nfs/dbraw/zinc/59/89/18/621598918.db2.gz ZQHSNSOMYVIJOW-MGCOHNPYSA-N 1 0 305.161 3.169 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000756902438 621671489 /nfs/dbraw/zinc/67/14/89/621671489.db2.gz SNRLBVPWDFRDHH-FZMZJTMJSA-N 1 0 310.781 3.249 20 5 DGBDRO [NH3+]Cc1cccc2c1N(Cc1cc(F)ccc1[N+](=O)[O-])CCC2 ZINC000863552901 621683141 /nfs/dbraw/zinc/68/31/41/621683141.db2.gz QCRIHZCYTMTQIF-UHFFFAOYSA-N 1 0 315.348 3.145 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)ccc1Cl ZINC000758560502 621789343 /nfs/dbraw/zinc/78/93/43/621789343.db2.gz LUFSUTFWPVYEHK-GFCCVEGCSA-N 1 0 318.760 3.211 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000759616136 621875869 /nfs/dbraw/zinc/87/58/69/621875869.db2.gz SUTMFWNLPKRXRL-LSDHHAIUSA-N 1 0 310.369 3.417 20 5 DGBDRO C[NH+](C)C1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865438983 621921363 /nfs/dbraw/zinc/92/13/63/621921363.db2.gz ITDDIRHGCQVSPI-UHFFFAOYSA-N 1 0 318.204 3.432 20 5 DGBDRO CC[C@@H]1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761287814 621999655 /nfs/dbraw/zinc/99/96/55/621999655.db2.gz HFMBQSHYMLIKTK-CYBMUJFWSA-N 1 0 302.378 3.332 20 5 DGBDRO CCC[NH+]1CCC(NCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761526261 622014638 /nfs/dbraw/zinc/01/46/38/622014638.db2.gz IWYNTLOSAXTBNX-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO CO[C@@H]1CC[C@@H](C)N(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000866073610 622041864 /nfs/dbraw/zinc/04/18/64/622041864.db2.gz QPORGWSLXRKJQN-DGCLKSJQSA-N 1 0 301.346 3.147 20 5 DGBDRO C[NH+](C)C1(C)CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000866147671 622054866 /nfs/dbraw/zinc/05/48/66/622054866.db2.gz UTNBDXNVHXXIOH-UHFFFAOYSA-N 1 0 317.393 3.146 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866260744 622078675 /nfs/dbraw/zinc/07/86/75/622078675.db2.gz WQKYRLYBMJSZSC-SJORKVTESA-N 1 0 320.389 3.041 20 5 DGBDRO Cc1ccc(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000866263800 622079370 /nfs/dbraw/zinc/07/93/70/622079370.db2.gz HPYOAKVZSGEAII-ZDUSSCGKSA-N 1 0 317.364 3.201 20 5 DGBDRO CSCCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866269449 622081125 /nfs/dbraw/zinc/08/11/25/622081125.db2.gz IFGLQYKTQFSLDO-LLVKDONJSA-N 1 0 300.399 3.398 20 5 DGBDRO CCC[C@H](CCO)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866275656 622083040 /nfs/dbraw/zinc/08/30/40/622083040.db2.gz OKZJZNHOJCRIDL-CHWSQXEVSA-N 1 0 312.385 3.053 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCc3cccc4cccc2c43)c1 ZINC000866307705 622090127 /nfs/dbraw/zinc/09/01/27/622090127.db2.gz HLPPHNYYGQQHBQ-QGZVFWFLSA-N 1 0 322.368 3.222 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000866313071 622091517 /nfs/dbraw/zinc/09/15/17/622091517.db2.gz VHBGLNVWVCCVPE-IRXDYDNUSA-N 1 0 304.390 3.075 20 5 DGBDRO CCOCC(C)(C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866358217 622101891 /nfs/dbraw/zinc/10/18/91/622101891.db2.gz IQIYKVRVHDSFRA-GFCCVEGCSA-N 1 0 312.385 3.317 20 5 DGBDRO CO[C@](C)(C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866365593 622104222 /nfs/dbraw/zinc/10/42/22/622104222.db2.gz UFJADVSFZBEROS-BDJLRTHQSA-N 1 0 310.369 3.070 20 5 DGBDRO Cc1ccc(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])nc1 ZINC000866369884 622104998 /nfs/dbraw/zinc/10/49/98/622104998.db2.gz QBMFVPRQKZEUHY-ZDUSSCGKSA-N 1 0 317.364 3.201 20 5 DGBDRO COCC1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866376159 622106107 /nfs/dbraw/zinc/10/61/07/622106107.db2.gz SUUZTXULVDETRP-FUJMWEONSA-N 1 0 324.396 3.460 20 5 DGBDRO Cc1cc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc(C)n1 ZINC000866376731 622106449 /nfs/dbraw/zinc/10/64/49/622106449.db2.gz QUQQRMIQMLNHJP-LLVKDONJSA-N 1 0 317.364 3.467 20 5 DGBDRO C[C@@H](COCC1CC1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866383464 622107701 /nfs/dbraw/zinc/10/77/01/622107701.db2.gz MNZODMMKWFKJFP-RYUDHWBXSA-N 1 0 310.369 3.070 20 5 DGBDRO CC[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1cccc([N+](=O)[O-])c1 ZINC000866449172 622120537 /nfs/dbraw/zinc/12/05/37/622120537.db2.gz ZDNJPAJBDYPEQM-RUMMTXRXSA-N 1 0 302.374 3.059 20 5 DGBDRO COC(C)(C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000866504303 622128480 /nfs/dbraw/zinc/12/84/80/622128480.db2.gz DLRJCMVQWUHWQO-HNNXBMFYSA-N 1 0 306.406 3.321 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000866613007 622146906 /nfs/dbraw/zinc/14/69/06/622146906.db2.gz DGKNMSZOIFHWCY-RYUDHWBXSA-N 1 0 318.377 3.139 20 5 DGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000866635628 622151179 /nfs/dbraw/zinc/15/11/79/622151179.db2.gz RUWCZQFNSOMZRB-APHBMKBZSA-N 1 0 306.406 3.055 20 5 DGBDRO Cc1nn(C[NH+]2CCC(C)(C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764963503 622236251 /nfs/dbraw/zinc/23/62/51/622236251.db2.gz NRQWJANUMNCHBC-UHFFFAOYSA-N 1 0 302.378 3.332 20 5 DGBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765850287 622291336 /nfs/dbraw/zinc/29/13/36/622291336.db2.gz WTAXPVYBMRTUEG-ZWKOTPCHSA-N 1 0 312.369 3.214 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766253197 622315059 /nfs/dbraw/zinc/31/50/59/622315059.db2.gz JRWHNLRSKJTUES-RYUDHWBXSA-N 1 0 311.813 3.163 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000767723903 622418742 /nfs/dbraw/zinc/41/87/42/622418742.db2.gz ZNOXXSJQVHSILM-MAVJXHJTSA-N 1 0 316.332 3.070 20 5 DGBDRO C[N@H+](CCc1ccccc1F)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000769029693 622493509 /nfs/dbraw/zinc/49/35/09/622493509.db2.gz NQUDOFSSPQYXSC-UHFFFAOYSA-N 1 0 304.321 3.114 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC3(CCCC3)C1)OCCO2 ZINC000769403420 622525332 /nfs/dbraw/zinc/52/53/32/622525332.db2.gz TWXJLQOLNNCFGW-UHFFFAOYSA-N 1 0 318.373 3.132 20 5 DGBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000769914172 622576385 /nfs/dbraw/zinc/57/63/85/622576385.db2.gz VVRUYPBDTCMXAG-OAHLLOKOSA-N 1 0 312.797 3.375 20 5 DGBDRO O=C(C[N@@H+]1CCCC12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769984112 622585472 /nfs/dbraw/zinc/58/54/72/622585472.db2.gz KZTRVQSLWNIHQH-UHFFFAOYSA-N 1 0 323.780 3.205 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017615 622753596 /nfs/dbraw/zinc/75/35/96/622753596.db2.gz CZFAZDLOWIFECH-RISCZKNCSA-N 1 0 321.352 3.280 20 5 DGBDRO C[C@H](NCCC[NH+]1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019612 622755253 /nfs/dbraw/zinc/75/52/53/622755253.db2.gz XJWNHWTXCJAQGZ-ZDUSSCGKSA-N 1 0 309.385 3.261 20 5 DGBDRO C[C@@H](NCCC[NH+]1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019611 622755760 /nfs/dbraw/zinc/75/57/60/622755760.db2.gz XJWNHWTXCJAQGZ-CYBMUJFWSA-N 1 0 309.385 3.261 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C1CC1)[NH+](C)C ZINC000872025624 622759389 /nfs/dbraw/zinc/75/93/89/622759389.db2.gz QENHOPVRSHPAJT-XHDPSFHLSA-N 1 0 323.462 3.308 20 5 DGBDRO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026166 622759908 /nfs/dbraw/zinc/75/99/08/622759908.db2.gz YKABPRKGIINMRS-OLZOCXBDSA-N 1 0 323.462 3.309 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)CC[NH+](C)C ZINC000872028936 622762019 /nfs/dbraw/zinc/76/20/19/622762019.db2.gz NPGPFRHLKULAST-NWDGAFQWSA-N 1 0 311.451 3.308 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@](C)(O)C(C)C ZINC000872033308 622764644 /nfs/dbraw/zinc/76/46/44/622764644.db2.gz BLHXQNHFNWPVTP-NHYWBVRUSA-N 1 0 312.435 3.374 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000872037523 622766831 /nfs/dbraw/zinc/76/68/31/622766831.db2.gz CVBJIOQNSPZMLN-FZMZJTMJSA-N 1 0 312.435 3.374 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043298 622770403 /nfs/dbraw/zinc/77/04/03/622770403.db2.gz WOXMQTADWUSMTI-NWDGAFQWSA-N 1 0 303.337 3.411 20 5 DGBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000872044872 622771272 /nfs/dbraw/zinc/77/12/72/622771272.db2.gz GUDJIDSOGMQDGY-CJNGLKHVSA-N 1 0 322.405 3.157 20 5 DGBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000872044874 622771699 /nfs/dbraw/zinc/77/16/99/622771699.db2.gz GUDJIDSOGMQDGY-XJKSGUPXSA-N 1 0 322.405 3.157 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1c(F)cccc1[N+](=O)[O-] ZINC000872045229 622772718 /nfs/dbraw/zinc/77/27/18/622772718.db2.gz YRFVHJCORYIEHU-MEDZGJRSSA-N 1 0 308.353 3.342 20 5 DGBDRO CC(C)[NH+]1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872048406 622774463 /nfs/dbraw/zinc/77/44/63/622774463.db2.gz ZXCIZQTYZBPWHM-LBPRGKRZSA-N 1 0 309.385 3.257 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048652 622774833 /nfs/dbraw/zinc/77/48/33/622774833.db2.gz KZIYRQAEURQPLG-VXGBXAGGSA-N 1 0 308.353 3.486 20 5 DGBDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872049836 622775305 /nfs/dbraw/zinc/77/53/05/622775305.db2.gz WDMOWAZPDVRVRZ-WBMJQRKESA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872049830 622775445 /nfs/dbraw/zinc/77/54/45/622775445.db2.gz WDMOWAZPDVRVRZ-BLLLJJGKSA-N 1 0 318.348 3.427 20 5 DGBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000872050808 622776472 /nfs/dbraw/zinc/77/64/72/622776472.db2.gz FTPIERUVXMKRON-HOCLYGCPSA-N 1 0 306.406 3.321 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000872050659 622776689 /nfs/dbraw/zinc/77/66/89/622776689.db2.gz AYLYBTYRLFOMFX-NQBHXWOUSA-N 1 0 310.419 3.271 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052069 622777395 /nfs/dbraw/zinc/77/73/95/622777395.db2.gz AZDCUVDBTBQXRM-VXGBXAGGSA-N 1 0 324.352 3.070 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062184 622783432 /nfs/dbraw/zinc/78/34/32/622783432.db2.gz KGOXSDIMSVJDIC-NVBFEUDRSA-N 1 0 308.353 3.342 20 5 DGBDRO C[C@@H](NC1CC([NH+]2CCCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872070157 622788304 /nfs/dbraw/zinc/78/83/04/622788304.db2.gz YBKSOAKBWTYJBD-IYXRBSQSSA-N 1 0 321.396 3.401 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000872079155 622793694 /nfs/dbraw/zinc/79/36/94/622793694.db2.gz VLTIWUQUVOIOKE-UHIISALHSA-N 1 0 310.419 3.128 20 5 DGBDRO Cc1ccncc1CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083677 622795630 /nfs/dbraw/zinc/79/56/30/622795630.db2.gz DKVIGGCIXHIENK-LBPRGKRZSA-N 1 0 303.337 3.331 20 5 DGBDRO COCC(C)(C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000872103384 622806770 /nfs/dbraw/zinc/80/67/70/622806770.db2.gz ZFDQBKWYGIAGGK-LBPRGKRZSA-N 1 0 312.385 3.317 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872109082 622812026 /nfs/dbraw/zinc/81/20/26/622812026.db2.gz HDNUZGDLVCUWTD-GRZALLJUSA-N 1 0 318.417 3.463 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000873107700 623036808 /nfs/dbraw/zinc/03/68/08/623036808.db2.gz PUDQJDYHIOTMFV-YOEHRIQHSA-N 1 0 304.390 3.259 20 5 DGBDRO Cc1c(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000873139517 623047185 /nfs/dbraw/zinc/04/71/85/623047185.db2.gz CJRQBDKHNQXKTI-INIZCTEOSA-N 1 0 317.433 3.115 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000873148641 623049826 /nfs/dbraw/zinc/04/98/26/623049826.db2.gz FVISNVUOMJVBQO-HOTGVXAUSA-N 1 0 304.390 3.056 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](O)c1ccccc1 ZINC000873193604 623069347 /nfs/dbraw/zinc/06/93/47/623069347.db2.gz MNKYKQHIGWMTIT-IAGOWNOFSA-N 1 0 318.348 3.336 20 5 DGBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000873194769 623069492 /nfs/dbraw/zinc/06/94/92/623069492.db2.gz VRCWOEGBVGZXSH-ZFWWWQNUSA-N 1 0 306.387 3.258 20 5 DGBDRO C[C@H]1CCCN1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774206333 623120162 /nfs/dbraw/zinc/12/01/62/623120162.db2.gz AYEVTWOYHZTWKY-SUMWQHHRSA-N 1 0 303.406 3.046 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000774473482 623149676 /nfs/dbraw/zinc/14/96/76/623149676.db2.gz BXVJGDBQEPIDOK-ZFWWWQNUSA-N 1 0 320.389 3.240 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@@H]1C ZINC000774637186 623168786 /nfs/dbraw/zinc/16/87/86/623168786.db2.gz MVOLMZUNUFYBLS-NXEZZACHSA-N 1 0 308.769 3.286 20 5 DGBDRO C[C@@H]1C[C@H](C)[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639263 623169423 /nfs/dbraw/zinc/16/94/23/623169423.db2.gz UYHFMAYOFRIYOJ-ZJUUUORDSA-N 1 0 308.769 3.286 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000775425511 623273460 /nfs/dbraw/zinc/27/34/60/623273460.db2.gz XYMOTQXZIOIXDB-KFWWJZLASA-N 1 0 324.471 3.107 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000775644705 623302197 /nfs/dbraw/zinc/30/21/97/623302197.db2.gz OHQACNZPEUGBFZ-AWEZNQCLSA-N 1 0 311.813 3.163 20 5 DGBDRO C[C@H](c1ccccc1F)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273776 623404913 /nfs/dbraw/zinc/40/49/13/623404913.db2.gz AJIJSNIZSJVZFQ-SJKOYZFVSA-N 1 0 318.348 3.460 20 5 DGBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC000776499987 623435949 /nfs/dbraw/zinc/43/59/49/623435949.db2.gz ZXLXBAMRSRXSAK-QCZZGDTMSA-N 1 0 312.797 3.397 20 5 DGBDRO CC(C)[N@@H+](Cc1ccco1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579590 623442998 /nfs/dbraw/zinc/44/29/98/623442998.db2.gz NTDSCCAKDXHLPQ-MRXNPFEDSA-N 1 0 304.346 3.132 20 5 DGBDRO CC(C)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584296 623443087 /nfs/dbraw/zinc/44/30/87/623443087.db2.gz KJMOSKXPLBIJJO-WMLDXEAASA-N 1 0 306.406 3.386 20 5 DGBDRO Cc1cccc(C(C)(C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776606699 623446268 /nfs/dbraw/zinc/44/62/68/623446268.db2.gz ZTWIVNHNZJCYTH-KRWDZBQOSA-N 1 0 314.385 3.462 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C1(C)CC1 ZINC000776883674 623473967 /nfs/dbraw/zinc/47/39/67/623473967.db2.gz PGRAALPMRIFCQR-VXGBXAGGSA-N 1 0 305.378 3.090 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCOC1CCC1 ZINC000777119625 623497916 /nfs/dbraw/zinc/49/79/16/623497916.db2.gz BUCNXIZXRVHAJR-RHSMWYFYSA-N 1 0 318.417 3.465 20 5 DGBDRO CCC[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777956436 623589986 /nfs/dbraw/zinc/58/99/86/623589986.db2.gz LBHFDRIMLKVPAP-UHFFFAOYSA-N 1 0 300.362 3.290 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC[C@@H]3C3CC3)c2)c1 ZINC000777956226 623590122 /nfs/dbraw/zinc/59/01/22/623590122.db2.gz GHKZYHNBBHRTPK-QGZVFWFLSA-N 1 0 312.373 3.290 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@H](C4CC4)C3)c2)c1 ZINC000777957651 623591109 /nfs/dbraw/zinc/59/11/09/623591109.db2.gz IMTARHZLSLYBOF-HNNXBMFYSA-N 1 0 312.373 3.148 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](O)c1cccc(F)c1 ZINC000778096058 623611135 /nfs/dbraw/zinc/61/11/35/623611135.db2.gz JAQKMZZLRCWOIS-MGPLVRAMSA-N 1 0 322.311 3.085 20 5 DGBDRO CC[C@H](C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000778613794 623676859 /nfs/dbraw/zinc/67/68/59/623676859.db2.gz IYFODXZFRAUBIG-TZMCWYRMSA-N 1 0 308.378 3.319 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cc4ccccc4o3)C2)c1 ZINC000876934062 623748052 /nfs/dbraw/zinc/74/80/52/623748052.db2.gz CVPHXZGVEFAVIA-UHFFFAOYSA-N 1 0 312.329 3.031 20 5 DGBDRO Cc1ccccc1C[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876946996 623750948 /nfs/dbraw/zinc/75/09/48/623750948.db2.gz YPHVLEKKKSIZBS-JEYLPNPQSA-N 1 0 314.389 3.024 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000876964560 623756758 /nfs/dbraw/zinc/75/67/58/623756758.db2.gz JMICMEWICXVIGC-UNXYVOJBSA-N 1 0 306.391 3.216 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc4ccccc4c3)C2)c1 ZINC000876984910 623759730 /nfs/dbraw/zinc/75/97/30/623759730.db2.gz PTVMRGBFEKFDBS-UHFFFAOYSA-N 1 0 322.368 3.438 20 5 DGBDRO Cc1cccc([C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1C ZINC000877032660 623770428 /nfs/dbraw/zinc/77/04/28/623770428.db2.gz MYYGNFSRQNWHGQ-WLYUNCDWSA-N 1 0 314.389 3.462 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCOC1CCC1 ZINC000877071874 623784261 /nfs/dbraw/zinc/78/42/61/623784261.db2.gz UAVJTFDSMGAAFW-UHFFFAOYSA-N 1 0 318.295 3.272 20 5 DGBDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000877145436 623806515 /nfs/dbraw/zinc/80/65/15/623806515.db2.gz HLTSBFLTAFMGGM-GTJPDFRWSA-N 1 0 314.322 3.407 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000779864390 623824667 /nfs/dbraw/zinc/82/46/67/623824667.db2.gz AXNPETFBMGGDMT-HOCLYGCPSA-N 1 0 314.389 3.010 20 5 DGBDRO C[C@H](CCCC(F)(F)F)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877476131 623900592 /nfs/dbraw/zinc/90/05/92/623900592.db2.gz VYJSWKZEDKABFM-KPPDAEKUSA-N 1 0 320.315 3.206 20 5 DGBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1F ZINC000877610513 623961408 /nfs/dbraw/zinc/96/14/08/623961408.db2.gz QDNUSYIVEVNQAN-PPUFBPAQSA-N 1 0 318.352 3.375 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000877613175 623963233 /nfs/dbraw/zinc/96/32/33/623963233.db2.gz YTTYPVAEXAIBKB-ZDUSSCGKSA-N 1 0 306.406 3.052 20 5 DGBDRO C[C@@H]1CC(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@@H](C)C1 ZINC000877625424 623967277 /nfs/dbraw/zinc/96/72/77/623967277.db2.gz YKSUCXJTIVDXIX-XOEAPDPESA-N 1 0 306.410 3.157 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCC(F)CC1 ZINC000877636485 623972285 /nfs/dbraw/zinc/97/22/85/623972285.db2.gz YNIKPMCAILEENR-MWKHJINRSA-N 1 0 310.373 3.001 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c(Cl)c1 ZINC000877737054 624010486 /nfs/dbraw/zinc/01/04/86/624010486.db2.gz GPZXPSXPGSWASN-NWDGAFQWSA-N 1 0 312.822 3.433 20 5 DGBDRO CC(C)(O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000877754611 624020793 /nfs/dbraw/zinc/02/07/93/624020793.db2.gz MVJXCJLHBMUUAM-ALCCZGGFSA-N 1 0 304.390 3.091 20 5 DGBDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877778035 624033780 /nfs/dbraw/zinc/03/37/80/624033780.db2.gz IMTSYLQZTUKRSF-JOYOIKCWSA-N 1 0 320.311 3.253 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532328 624261190 /nfs/dbraw/zinc/26/11/90/624261190.db2.gz SQPNWRVLSZWKFF-NWDGAFQWSA-N 1 0 323.368 3.325 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC3(CCCC3)C2)cc1 ZINC000782636101 624269839 /nfs/dbraw/zinc/26/98/39/624269839.db2.gz DKDOOAHTROBFRN-INIZCTEOSA-N 1 0 304.390 3.284 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC3(CCCC3)C2)cc1 ZINC000782636102 624269862 /nfs/dbraw/zinc/26/98/62/624269862.db2.gz DKDOOAHTROBFRN-MRXNPFEDSA-N 1 0 304.390 3.284 20 5 DGBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000782656676 624271362 /nfs/dbraw/zinc/27/13/62/624271362.db2.gz TUTHPEJSZOXOME-STQMWFEESA-N 1 0 320.311 3.195 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCC3(CC3)C2)o1 ZINC000878445043 624279677 /nfs/dbraw/zinc/27/96/77/624279677.db2.gz RERXKBKKNDGAOW-UHFFFAOYSA-N 1 0 314.345 3.021 20 5 DGBDRO C[C@@H]1C[C@@H](C)N1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878532553 624300255 /nfs/dbraw/zinc/30/02/55/624300255.db2.gz FUFNPUHXSNJIOA-RKDXNWHRSA-N 1 0 322.752 3.281 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000783569435 624367457 /nfs/dbraw/zinc/36/74/57/624367457.db2.gz GTLVXHHFLPQLBH-NEPJUHHUSA-N 1 0 311.813 3.163 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCn2ccnc2)cc1Cl ZINC000783599030 624373265 /nfs/dbraw/zinc/37/32/65/624373265.db2.gz TZBFXJQCYRRQDC-UHFFFAOYSA-N 1 0 308.769 3.015 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCCO)CC2)cc1Cl ZINC000783663854 624381052 /nfs/dbraw/zinc/38/10/52/624381052.db2.gz CLMUEDJHDKSLIU-UHFFFAOYSA-N 1 0 312.797 3.233 20 5 DGBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1([NH+](C)C)CCC1 ZINC000783744686 624390354 /nfs/dbraw/zinc/39/03/54/624390354.db2.gz ZBNIKJYXJXYYQQ-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879239426 624457416 /nfs/dbraw/zinc/45/74/16/624457416.db2.gz APFUKCYAHWKOLK-MSOLQXFVSA-N 1 0 312.369 3.293 20 5 DGBDRO C[C@](CO)([NH2+]Cc1ccc(CF)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879271476 624477634 /nfs/dbraw/zinc/47/76/34/624477634.db2.gz GIKMIAARUCGZJA-QGZVFWFLSA-N 1 0 318.348 3.062 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879406612 624535415 /nfs/dbraw/zinc/53/54/15/624535415.db2.gz JFEMROQUWSFQGF-OAHLLOKOSA-N 1 0 308.378 3.041 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000786808558 624955405 /nfs/dbraw/zinc/95/54/05/624955405.db2.gz KAMOHAJSPDVLIN-PMXLPMHFSA-N 1 0 312.369 3.321 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(F)n1 ZINC000786821079 624956687 /nfs/dbraw/zinc/95/66/87/624956687.db2.gz YECCRNGMVNWGKA-WQLSENKSSA-N 1 0 301.321 3.322 20 5 DGBDRO CC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000880472047 624963675 /nfs/dbraw/zinc/96/36/75/624963675.db2.gz XWIDZHDJLQFCSJ-BONVTDFDSA-N 1 0 314.332 3.168 20 5 DGBDRO CC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000880472048 624964009 /nfs/dbraw/zinc/96/40/09/624964009.db2.gz XWIDZHDJLQFCSJ-MEBBXXQBSA-N 1 0 314.332 3.168 20 5 DGBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000805840597 625014748 /nfs/dbraw/zinc/01/47/48/625014748.db2.gz SYQQBZLVOIOQFP-CQSZACIVSA-N 1 0 314.332 3.138 20 5 DGBDRO CSC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000788439851 625172058 /nfs/dbraw/zinc/17/20/58/625172058.db2.gz ZCDAXEUUTFRUJG-NEPJUHHUSA-N 1 0 312.439 3.006 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000788535147 625208439 /nfs/dbraw/zinc/20/84/39/625208439.db2.gz CJAIKDXCLREORG-QZTJIDSGSA-N 1 0 314.385 3.443 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000788541348 625212643 /nfs/dbraw/zinc/21/26/43/625212643.db2.gz VVXSCAKDGZRFKG-QZTJIDSGSA-N 1 0 314.385 3.443 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1 ZINC000788614556 625229696 /nfs/dbraw/zinc/22/96/96/625229696.db2.gz SGQDBOGZUSVTAW-XHDPSFHLSA-N 1 0 300.362 3.374 20 5 DGBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788666190 625238356 /nfs/dbraw/zinc/23/83/56/625238356.db2.gz QPMJSWBIIPVNIF-QEORTHHSSA-N 1 0 321.421 3.279 20 5 DGBDRO CCC1([NH+]2CCCCC2)CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000882817097 625825313 /nfs/dbraw/zinc/82/53/13/625825313.db2.gz NUJGGUMIFJVDSQ-UHFFFAOYSA-N 1 0 318.421 3.225 20 5 DGBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000130585972 625876540 /nfs/dbraw/zinc/87/65/40/625876540.db2.gz JTARUJWQKVRSCO-QMTHXVAHSA-N 1 0 324.764 3.443 20 5 DGBDRO C[C@@H](OC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1[N+](=O)[O-] ZINC000792570348 625960225 /nfs/dbraw/zinc/96/02/25/625960225.db2.gz GMDKYMTWZMAIDV-LLVKDONJSA-N 1 0 311.297 3.161 20 5 DGBDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000796481504 626054842 /nfs/dbraw/zinc/05/48/42/626054842.db2.gz HULFWHCJJMICQR-NHYWBVRUSA-N 1 0 306.387 3.176 20 5 DGBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801519470 626407246 /nfs/dbraw/zinc/40/72/46/626407246.db2.gz OWIMEYUYAJTJGY-GDBMZVCRSA-N 1 0 310.369 3.369 20 5 DGBDRO CC[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801522485 626407311 /nfs/dbraw/zinc/40/73/11/626407311.db2.gz SYJNRVRTGJWIMC-UHFFFAOYSA-N 1 0 303.337 3.194 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000801520014 626407333 /nfs/dbraw/zinc/40/73/33/626407333.db2.gz AJJZQIASSMLQSJ-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccns1)C1CC1 ZINC000883248594 626623081 /nfs/dbraw/zinc/62/30/81/626623081.db2.gz YNXZVMLJMHRESN-HNNXBMFYSA-N 1 0 317.414 3.205 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883369277 626664308 /nfs/dbraw/zinc/66/43/08/626664308.db2.gz NHCQKYPYTYXZPU-JLZZUVOBSA-N 1 0 320.389 3.356 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC2(COC2)CC1 ZINC000883392068 626671298 /nfs/dbraw/zinc/67/12/98/626671298.db2.gz ZQWIKMJAQADEAY-UHFFFAOYSA-N 1 0 320.389 3.042 20 5 DGBDRO Cc1ccc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1Br ZINC000804346341 626671768 /nfs/dbraw/zinc/67/17/68/626671768.db2.gz RNFNAVPWTCBVNT-VIFPVBQESA-N 1 0 316.199 3.028 20 5 DGBDRO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000804349631 626672204 /nfs/dbraw/zinc/67/22/04/626672204.db2.gz PAEVRPLYROTXMD-NWDGAFQWSA-N 1 0 322.365 3.178 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804357225 626673085 /nfs/dbraw/zinc/67/30/85/626673085.db2.gz ADHHMQWSKRNPMT-VNHYZAJKSA-N 1 0 318.421 3.019 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000807925233 626777945 /nfs/dbraw/zinc/77/79/45/626777945.db2.gz BREYCPWIGZAENZ-STQMWFEESA-N 1 0 319.405 3.330 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807972501 626781343 /nfs/dbraw/zinc/78/13/43/626781343.db2.gz LVLYVEGITVRFGK-AWEZNQCLSA-N 1 0 305.378 3.084 20 5 DGBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCC[NH+]1CCCC1 ZINC000800199123 626824015 /nfs/dbraw/zinc/82/40/15/626824015.db2.gz GUBXIBMPHMPPGT-BUHFOSPRSA-N 1 0 318.373 3.027 20 5 DGBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808727538 626854334 /nfs/dbraw/zinc/85/43/34/626854334.db2.gz HCQXYCFUSCJGFD-STQMWFEESA-N 1 0 317.389 3.023 20 5 DGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000840177193 626913676 /nfs/dbraw/zinc/91/36/76/626913676.db2.gz GZRZKOHCIVUXAL-OAHLLOKOSA-N 1 0 312.373 3.019 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CC(c3ccccc3)C2)cc1 ZINC000809733182 626943105 /nfs/dbraw/zinc/94/31/05/626943105.db2.gz QUODVNWOJSJKGH-HTWSVDAQSA-N 1 0 312.369 3.164 20 5 DGBDRO [NH3+]CCN(Cc1sccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000809734783 626943576 /nfs/dbraw/zinc/94/35/76/626943576.db2.gz LKOLNDNHWJKRKC-UHFFFAOYSA-N 1 0 311.794 3.275 20 5 DGBDRO [NH3+]CCN(C/C=C\c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734903 626943594 /nfs/dbraw/zinc/94/35/94/626943594.db2.gz NSSLCKUUUPJPHN-UPHRSURJSA-N 1 0 315.348 3.212 20 5 DGBDRO [NH3+]CCN(Cc1ccccc1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000809736546 626943755 /nfs/dbraw/zinc/94/37/55/626943755.db2.gz ZIYLFTBRJYBDPU-UHFFFAOYSA-N 1 0 311.385 3.438 20 5 DGBDRO COc1ccc([C@H](C)N(C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885931434 627063056 /nfs/dbraw/zinc/06/30/56/627063056.db2.gz UXVIJILENCEHCQ-LBPRGKRZSA-N 1 0 301.346 3.191 20 5 DGBDRO COc1ccc([C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C(C)C)cc1 ZINC000886104499 627105517 /nfs/dbraw/zinc/10/55/17/627105517.db2.gz DJSVCXKCNTYERM-INIZCTEOSA-N 1 0 315.373 3.485 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(CC)CC ZINC000886140933 627111531 /nfs/dbraw/zinc/11/15/31/627111531.db2.gz SQVAEQWXVHPHBP-KGLIPLIRSA-N 1 0 307.394 3.063 20 5 DGBDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886200626 627120757 /nfs/dbraw/zinc/12/07/57/627120757.db2.gz UISDXWPCXQHDOR-KGLIPLIRSA-N 1 0 307.394 3.063 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886201420 627120777 /nfs/dbraw/zinc/12/07/77/627120777.db2.gz DLJWKPKHRZQDSB-WBVHZDCISA-N 1 0 304.390 3.027 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H]3C[C@]34CCOC4)C2)cc1 ZINC000886231992 627124758 /nfs/dbraw/zinc/12/47/58/627124758.db2.gz NZWZSWFYPIXVPJ-RYRKJORJSA-N 1 0 316.401 3.201 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3C[C@]34CCOC4)C2)cc1 ZINC000886231991 627124818 /nfs/dbraw/zinc/12/48/18/627124818.db2.gz NZWZSWFYPIXVPJ-NUJGCVRESA-N 1 0 316.401 3.201 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000886301042 627133401 /nfs/dbraw/zinc/13/34/01/627133401.db2.gz UVZKGCISYAPCSL-YESZJQIVSA-N 1 0 309.369 3.225 20 5 DGBDRO C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC000886344303 627140944 /nfs/dbraw/zinc/14/09/44/627140944.db2.gz BIWDYKNNFDVFFV-INIZCTEOSA-N 1 0 304.390 3.424 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000886689890 627190885 /nfs/dbraw/zinc/19/08/85/627190885.db2.gz JYOZNWMBQZJUCQ-HNNXBMFYSA-N 1 0 312.373 3.073 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886822201 627208810 /nfs/dbraw/zinc/20/88/10/627208810.db2.gz NPMNSCSUCOCLDV-JJRVBVJISA-N 1 0 304.390 3.465 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886868141 627211735 /nfs/dbraw/zinc/21/17/35/627211735.db2.gz WJTDJUWIQKQTFE-YOEHRIQHSA-N 1 0 303.406 3.121 20 5 DGBDRO CSC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000811453811 627275571 /nfs/dbraw/zinc/27/55/71/627275571.db2.gz RHTQRECLEMTZTP-UHFFFAOYSA-N 1 0 321.446 3.003 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000811721676 627311984 /nfs/dbraw/zinc/31/19/84/627311984.db2.gz LAOSFTDTQZJZJD-LBPRGKRZSA-N 1 0 324.450 3.002 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000811869178 627331695 /nfs/dbraw/zinc/33/16/95/627331695.db2.gz GKELHIGLLJTJPV-NSHDSACASA-N 1 0 313.373 3.275 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000813635851 627505082 /nfs/dbraw/zinc/50/50/82/627505082.db2.gz IRYLMBPUKDCCKF-HNNXBMFYSA-N 1 0 309.797 3.089 20 5 DGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cc[nH]c(=O)c1 ZINC000815148108 627637704 /nfs/dbraw/zinc/63/77/04/627637704.db2.gz MBNZZAHECJINBB-VIFPVBQESA-N 1 0 307.737 3.200 20 5 DGBDRO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000815579797 627687186 /nfs/dbraw/zinc/68/71/86/627687186.db2.gz VGXRCTHBNGPADW-VXGBXAGGSA-N 1 0 317.393 3.366 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1 ZINC000815586562 627688357 /nfs/dbraw/zinc/68/83/57/627688357.db2.gz LYAXTERIMTWNKF-RYUDHWBXSA-N 1 0 300.362 3.026 20 5 DGBDRO COC1CCC(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815586498 627688437 /nfs/dbraw/zinc/68/84/37/627688437.db2.gz KEXDLRJNPVYBLC-DCBWTQNWSA-N 1 0 307.394 3.033 20 5 DGBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CO2 ZINC000815596349 627689036 /nfs/dbraw/zinc/68/90/36/627689036.db2.gz QWNJMAAIISWUBZ-NHYWBVRUSA-N 1 0 313.357 3.270 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815614113 627691040 /nfs/dbraw/zinc/69/10/40/627691040.db2.gz GLQDGSVWQZIYKH-HZMBPMFUSA-N 1 0 307.394 3.174 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815619692 627691761 /nfs/dbraw/zinc/69/17/61/627691761.db2.gz VEPANQGBIILWFB-SNVBAGLBSA-N 1 0 321.327 3.349 20 5 DGBDRO C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815624462 627692359 /nfs/dbraw/zinc/69/23/59/627692359.db2.gz ZAQAVXZRXCIBQJ-XJFOESAGSA-N 1 0 321.421 3.421 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627155 627692447 /nfs/dbraw/zinc/69/24/47/627692447.db2.gz VGGWQAZXBOCAPB-YPMHNXCESA-N 1 0 313.357 3.004 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)C2(Br)CC2)cc1[N+](=O)[O-] ZINC000926795352 627956640 /nfs/dbraw/zinc/95/66/40/627956640.db2.gz IOMRPYJFKGXMOV-SNVBAGLBSA-N 1 0 313.195 3.309 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC2CC=CC2)n1 ZINC000926952005 627988432 /nfs/dbraw/zinc/98/84/32/627988432.db2.gz IVTKTBVYADMKQY-CABCVRRESA-N 1 0 304.394 3.221 20 5 DGBDRO CCc1ccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819087327 628089603 /nfs/dbraw/zinc/08/96/03/628089603.db2.gz UKIOFXZVURTPJT-GOSISDBHSA-N 1 0 314.385 3.023 20 5 DGBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000819103062 628092809 /nfs/dbraw/zinc/09/28/09/628092809.db2.gz DOJDDLTWVKRJBZ-MLGOLLRUSA-N 1 0 320.414 3.158 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)CC2CCCC2)c1 ZINC000819150794 628101169 /nfs/dbraw/zinc/10/11/69/628101169.db2.gz RWPCCXXOUCRYAJ-CQSZACIVSA-N 1 0 312.797 3.279 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000819258997 628122426 /nfs/dbraw/zinc/12/24/26/628122426.db2.gz DCKRUDNUJZKLMR-KRWDZBQOSA-N 1 0 300.358 3.035 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000819365864 628141979 /nfs/dbraw/zinc/14/19/79/628141979.db2.gz CNVWXMGGGZZPTG-MMWSSPAHSA-N 1 0 314.332 3.042 20 5 DGBDRO Cc1cc(-c2noc([C@@H]3C[C@H](C)CC[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000823269174 628544308 /nfs/dbraw/zinc/54/43/08/628544308.db2.gz DGRZLBQAGKCFGC-RNCFNFMXSA-N 1 0 302.334 3.014 20 5 DGBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000824596653 628675320 /nfs/dbraw/zinc/67/53/20/628675320.db2.gz JULGFDAMQKMUGA-IINYFYTJSA-N 1 0 300.786 3.399 20 5 DGBDRO CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000824820536 628697588 /nfs/dbraw/zinc/69/75/88/628697588.db2.gz HJUZSRDYEYTYQF-AWEZNQCLSA-N 1 0 312.797 3.495 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)ccc1Cl ZINC000824844632 628699183 /nfs/dbraw/zinc/69/91/83/628699183.db2.gz CALPTYSKHNKPQN-CZUORRHYSA-N 1 0 324.808 3.135 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](CO)CC(C)(C)C ZINC000825040450 628719704 /nfs/dbraw/zinc/71/97/04/628719704.db2.gz KQPLXLWKMUAVLC-GFCCVEGCSA-N 1 0 314.813 3.477 20 5 DGBDRO C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000827857225 628997605 /nfs/dbraw/zinc/99/76/05/628997605.db2.gz ZBFJSXCADKRFIB-BZNIZROVSA-N 1 0 320.776 3.460 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1F ZINC000829522394 629165716 /nfs/dbraw/zinc/16/57/16/629165716.db2.gz GHSPKJGTLXEIRS-CQSZACIVSA-N 1 0 301.321 3.118 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000830989209 629327369 /nfs/dbraw/zinc/32/73/69/629327369.db2.gz UMGFSXXFTAHBFP-IRXDYDNUSA-N 1 0 304.390 3.283 20 5 DGBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000831653893 629401594 /nfs/dbraw/zinc/40/15/94/629401594.db2.gz BRRJRYVYVBVBFS-HOCLYGCPSA-N 1 0 312.385 3.113 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000837454142 630260419 /nfs/dbraw/zinc/26/04/19/630260419.db2.gz DQOUHOZYWJEPOL-ZDUSSCGKSA-N 1 0 324.352 3.154 20 5 DGBDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CS1 ZINC000840857642 630367952 /nfs/dbraw/zinc/36/79/52/630367952.db2.gz YJCDORIXNKTGMQ-GXTWGEPZSA-N 1 0 321.446 3.047 20 5 DGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000840860420 630368653 /nfs/dbraw/zinc/36/86/53/630368653.db2.gz UZXCOKJTJOCIKO-USBNGQNGSA-N 1 0 307.394 3.031 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CO)CC1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841760403 630462887 /nfs/dbraw/zinc/46/28/87/630462887.db2.gz FFBQAXKLWKTAJD-IUODEOHRSA-N 1 0 321.421 3.159 20 5 DGBDRO CCc1cc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000841762262 630463212 /nfs/dbraw/zinc/46/32/12/630463212.db2.gz IPDREWLDTIWBPM-KRWDZBQOSA-N 1 0 314.389 3.438 20 5 DGBDRO C[C@@H]1[C@H](C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C ZINC000842165173 630501235 /nfs/dbraw/zinc/50/12/35/630501235.db2.gz AJYXRTQSSLGRTI-UTUOFQBUSA-N 1 0 323.368 3.039 20 5 DGBDRO C[NH2+]C[C@@H](C)c1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000842576135 630549096 /nfs/dbraw/zinc/54/90/96/630549096.db2.gz AGLNYDMDYQYCSF-MRVPVSSYSA-N 1 0 318.358 3.182 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842757628 630572297 /nfs/dbraw/zinc/57/22/97/630572297.db2.gz YHCDIEZFWBHWEL-GWCFXTLKSA-N 1 0 300.786 3.135 20 5 DGBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC12CC=CC2 ZINC000843297880 630643700 /nfs/dbraw/zinc/64/37/00/630643700.db2.gz WERIOEWXELYNNF-SJORKVTESA-N 1 0 316.401 3.305 20 5 DGBDRO C[C@H](Nc1ccc(OCC[NH3+])cc1)c1ccccc1[N+](=O)[O-] ZINC000843366359 630649958 /nfs/dbraw/zinc/64/99/58/630649958.db2.gz QVMVXELBHSUMCL-LBPRGKRZSA-N 1 0 301.346 3.105 20 5 DGBDRO CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000843421691 630655492 /nfs/dbraw/zinc/65/54/92/630655492.db2.gz FOIQQBHCNDHOPV-CQSZACIVSA-N 1 0 311.813 3.164 20 5 DGBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000844375961 630722609 /nfs/dbraw/zinc/72/26/09/630722609.db2.gz AHCHKBLWWAUENQ-HZMBPMFUSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@@H](CCO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000844445972 630730819 /nfs/dbraw/zinc/73/08/19/630730819.db2.gz ATAPTYRZZPDBTO-QMMMGPOBSA-N 1 0 307.177 3.104 20 5 DGBDRO CCC(=O)c1ccc(N(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000845761265 631195292 /nfs/dbraw/zinc/19/52/92/631195292.db2.gz NKBYAXKJPLSMOU-UHFFFAOYSA-N 1 0 319.405 3.110 20 5 DGBDRO COc1ccc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846040172 631207677 /nfs/dbraw/zinc/20/76/77/631207677.db2.gz WKLZUKCXOZCWCL-UONOGXRCSA-N 1 0 316.760 3.398 20 5 DGBDRO C[C@@H](C(=O)OC[C@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000847964288 631587861 /nfs/dbraw/zinc/58/78/61/631587861.db2.gz ZVEUTTYOBLDVAL-UONOGXRCSA-N 1 0 320.389 3.116 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)c1ccccc1F ZINC000848521006 631675859 /nfs/dbraw/zinc/67/58/59/631675859.db2.gz MAGRTLJWIPXDQA-NVXWUHKLSA-N 1 0 316.332 3.044 20 5 DGBDRO C[C@@](O)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccsc1 ZINC000848528084 631678906 /nfs/dbraw/zinc/67/89/06/631678906.db2.gz KCIRJJQANPCTTG-GOEBONIOSA-N 1 0 318.398 3.141 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CSCCS1 ZINC000848530752 631680106 /nfs/dbraw/zinc/68/01/06/631680106.db2.gz FXBNOWXDEBXOLP-MFKMUULPSA-N 1 0 310.444 3.020 20 5 DGBDRO Cc1cccc([C@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848535120 631681693 /nfs/dbraw/zinc/68/16/93/631681693.db2.gz DKGQKSAARCVHFK-SJLPKXTDSA-N 1 0 312.369 3.214 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000848567767 631695957 /nfs/dbraw/zinc/69/59/57/631695957.db2.gz NTALEIQWESZOQO-DIOULYMOSA-N 1 0 307.394 3.175 20 5 DGBDRO C[C@H]1CCCN(C(=[NH2+])NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000849012651 631807054 /nfs/dbraw/zinc/80/70/54/631807054.db2.gz KDIHWHMGUQEAQY-JTQLQIEISA-N 1 0 310.785 3.004 20 5 DGBDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCc1ccc([N+](=O)[O-])cc1 ZINC000849065002 631824535 /nfs/dbraw/zinc/82/45/35/631824535.db2.gz IIGDFKNJIRYNBF-CQSZACIVSA-N 1 0 320.437 3.466 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850527957 632181504 /nfs/dbraw/zinc/18/15/04/632181504.db2.gz ZSVDHWCSGXDXRK-BQFCYCMXSA-N 1 0 310.353 3.350 20 5 DGBDRO COCc1csc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000850531166 632182637 /nfs/dbraw/zinc/18/26/37/632182637.db2.gz CDIKRELFKUELRU-JTQLQIEISA-N 1 0 321.402 3.236 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1SCCS1 ZINC000850561763 632194590 /nfs/dbraw/zinc/19/45/90/632194590.db2.gz RAIXLGREEAQQDW-VIFPVBQESA-N 1 0 314.432 3.060 20 5 DGBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852422932 632602829 /nfs/dbraw/zinc/60/28/29/632602829.db2.gz NTVNJQGWCCSNGJ-FZMZJTMJSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000852455991 632605887 /nfs/dbraw/zinc/60/58/87/632605887.db2.gz HMTASBUPIVHJDC-SMDDNHRTSA-N 1 0 312.797 3.231 20 5 DGBDRO CC(C)([NH2+]C[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000795220453 661134177 /nfs/dbraw/zinc/13/41/77/661134177.db2.gz NKNMIYSINGDPMG-INIZCTEOSA-N 1 0 300.358 3.153 20 5 DGBDRO C[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000049963807 655628370 /nfs/dbraw/zinc/62/83/70/655628370.db2.gz JVBDZWVXHNVQNZ-LBPRGKRZSA-N 1 0 311.813 3.212 20 5 DGBDRO CC(C)CCOCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963819 655628379 /nfs/dbraw/zinc/62/83/79/655628379.db2.gz HQXQODFMPRISQE-UHFFFAOYSA-N 1 0 300.786 3.401 20 5 DGBDRO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)CC2(C)C)c([N+](=O)[O-])n1 ZINC000932898753 655642797 /nfs/dbraw/zinc/64/27/97/655642797.db2.gz OONAZSQCAOWDFB-CQSZACIVSA-N 1 0 314.389 3.096 20 5 DGBDRO CCCCC1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000934207469 655756017 /nfs/dbraw/zinc/75/60/17/655756017.db2.gz PXZUKQOHMJBLQP-UHFFFAOYSA-N 1 0 305.378 3.154 20 5 DGBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000934236021 655758115 /nfs/dbraw/zinc/75/81/15/655758115.db2.gz XFKLFIWIIVWPLT-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H]1C[C@@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000235738768 655926241 /nfs/dbraw/zinc/92/62/41/655926241.db2.gz NXWHICIKQCDUNF-IUCAKERBSA-N 1 0 301.749 3.282 20 5 DGBDRO CC(C)[NH+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000180452059 655966055 /nfs/dbraw/zinc/96/60/55/655966055.db2.gz VAIIXJBPOZNCPA-UHFFFAOYSA-N 1 0 313.785 3.306 20 5 DGBDRO COc1cc(C[NH+]2CCCCCCC2)c([N+](=O)[O-])cc1OC ZINC000158961045 656040637 /nfs/dbraw/zinc/04/06/37/656040637.db2.gz VGTWJMXTFYNWNW-UHFFFAOYSA-N 1 0 308.378 3.378 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C)([NH+](C)C)CC1 ZINC000931354401 656213391 /nfs/dbraw/zinc/21/33/91/656213391.db2.gz KRDHNKQWOYYKPC-CQSZACIVSA-N 1 0 305.422 3.380 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+](CCO)C1CCCCC1 ZINC000093097788 656266949 /nfs/dbraw/zinc/26/69/49/656266949.db2.gz UHIQQKHSEVYDRO-UHFFFAOYSA-N 1 0 312.797 3.375 20 5 DGBDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000932179993 656960590 /nfs/dbraw/zinc/96/05/90/656960590.db2.gz ODSQHZRNPNLOBE-SNVBAGLBSA-N 1 0 320.370 3.294 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000178867552 657091578 /nfs/dbraw/zinc/09/15/78/657091578.db2.gz OSSIGPRUBMISGT-KRWDZBQOSA-N 1 0 312.369 3.297 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCCCCCC1 ZINC000007390204 657506476 /nfs/dbraw/zinc/50/64/76/657506476.db2.gz UGDVVDXCVSKLLB-ZDUSSCGKSA-N 1 0 305.378 3.188 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]21 ZINC000252644146 657603446 /nfs/dbraw/zinc/60/34/46/657603446.db2.gz NLGFTDGLEWHMDR-BLLLJJGKSA-N 1 0 323.824 3.164 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174947029 658847570 /nfs/dbraw/zinc/84/75/70/658847570.db2.gz YZRMRYHSUVTCSK-ZDUSSCGKSA-N 1 0 317.393 3.179 20 5 DGBDRO C[N@H+](CCNCc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000071377221 660119030 /nfs/dbraw/zinc/11/90/30/660119030.db2.gz ISTVNORCPJQLPL-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO COC/C(C)=C\C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930636369 661417691 /nfs/dbraw/zinc/41/76/91/661417691.db2.gz GBNKLPDGXXFOKR-IHWMJMDHSA-N 1 0 304.390 3.367 20 5 DGBDRO CC(C)(C)[C@@H]1CSCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931597882 661491778 /nfs/dbraw/zinc/49/17/78/661491778.db2.gz XUVICOVCGCLBRJ-GJZGRUSLSA-N 1 0 324.446 3.092 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932140075 661541532 /nfs/dbraw/zinc/54/15/32/661541532.db2.gz VABMSCUUHFIUEI-ZFWWWQNUSA-N 1 0 314.389 3.269 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)c1 ZINC000932888631 661606465 /nfs/dbraw/zinc/60/64/65/661606465.db2.gz BERIZMNJQDWIOP-KBAYOESNSA-N 1 0 316.401 3.139 20 5 DGBDRO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932905496 661607871 /nfs/dbraw/zinc/60/78/71/661607871.db2.gz XGQKCFZDILWUBS-HNNXBMFYSA-N 1 0 314.389 3.059 20 5 DGBDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000934112060 661680857 /nfs/dbraw/zinc/68/08/57/661680857.db2.gz QKZSVJBBYULFOP-CHWSQXEVSA-N 1 0 318.295 3.223 20 5 DGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000934625876 661719790 /nfs/dbraw/zinc/71/97/90/661719790.db2.gz HHPPRTFHUVQGOA-ZYHUDNBSSA-N 1 0 323.780 3.131 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cs1 ZINC000934838008 661739304 /nfs/dbraw/zinc/73/93/04/661739304.db2.gz YDZLGQXJPIKKSL-KBPBESRZSA-N 1 0 310.419 3.295 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000194415486 662165315 /nfs/dbraw/zinc/16/53/15/662165315.db2.gz PVVYDFZOHBQHRX-GFCCVEGCSA-N 1 0 315.329 3.396 20 5 DGBDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000957131384 662352615 /nfs/dbraw/zinc/35/26/15/662352615.db2.gz RDAJKCOALTWWBT-KMFMINBZSA-N 1 0 304.390 3.342 20 5 DGBDRO CC(=O)OC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000093453964 662355484 /nfs/dbraw/zinc/35/54/84/662355484.db2.gz OMXCWTGDLCGUNW-UHFFFAOYSA-N 1 0 320.389 3.246 20 5 DGBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576689975 1191862918 /nfs/dbraw/zinc/86/29/18/1191862918.db2.gz GGWOYFXZUHSXQY-ABAIWWIYSA-N 1 0 311.813 3.245 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001578263695 1191935211 /nfs/dbraw/zinc/93/52/11/1191935211.db2.gz SRXHEBSMMPWJJJ-DOTOQJQBSA-N 1 0 317.389 3.018 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001620582757 1192009796 /nfs/dbraw/zinc/00/97/96/1192009796.db2.gz QZZJHTVTEWCSOE-NEPJUHHUSA-N 1 0 300.362 3.073 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCCC1=CC[NH2+]CC1 ZINC001580874791 1192043389 /nfs/dbraw/zinc/04/33/89/1192043389.db2.gz IIQFGDJONAILKG-UHFFFAOYSA-N 1 0 315.295 3.335 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001580874578 1192043485 /nfs/dbraw/zinc/04/34/85/1192043485.db2.gz BVJAFBXDFQHLAV-CYBMUJFWSA-N 1 0 312.373 3.230 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(CO)cc1 ZINC001620984373 1192776758 /nfs/dbraw/zinc/77/67/58/1192776758.db2.gz QAQQWHAORBSNTQ-ZROIWOOFSA-N 1 0 312.369 3.280 20 5 DGBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001332996757 1178536417 /nfs/dbraw/zinc/53/64/17/1178536417.db2.gz RTMWQBNRGOANRM-DGCLKSJQSA-N 1 0 302.296 3.208 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@H]2C1 ZINC001333877670 1178688494 /nfs/dbraw/zinc/68/84/94/1178688494.db2.gz ZKKCBMLOQVCSLL-YNEHKIRRSA-N 1 0 323.824 3.415 20 5 DGBDRO C[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC001335839662 1178962822 /nfs/dbraw/zinc/96/28/22/1178962822.db2.gz WLBIBMQTWYYIPO-QEYWKRMJSA-N 1 0 300.280 3.428 20 5 DGBDRO Cc1ccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001336049845 1178985943 /nfs/dbraw/zinc/98/59/43/1178985943.db2.gz WVNYWAHHBHBCGL-RCCFBDPRSA-N 1 0 312.369 3.082 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCC2CCOCC2)cc([N+](=O)[O-])c1 ZINC001336085437 1178990925 /nfs/dbraw/zinc/99/09/25/1178990925.db2.gz UNKFFOKTEBHMAD-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC001342323267 1179130385 /nfs/dbraw/zinc/13/03/85/1179130385.db2.gz APDDTMLFMLNHBN-CABCVRRESA-N 1 0 311.813 3.211 20 5 DGBDRO CC(C)C[C@@H]([NH3+])CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001343185841 1179241929 /nfs/dbraw/zinc/24/19/29/1179241929.db2.gz DLAHRFOSCXNXJJ-OAHLLOKOSA-N 1 0 321.421 3.095 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](F)C3)CC2)cc1 ZINC001345944110 1179628100 /nfs/dbraw/zinc/62/81/00/1179628100.db2.gz LAYSRFYLUFKRNJ-HIFRSBDPSA-N 1 0 321.396 3.434 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC001348459753 1179835611 /nfs/dbraw/zinc/83/56/11/1179835611.db2.gz PSWJGXSONSJJBL-UHFFFAOYSA-N 1 0 323.393 3.052 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001352790598 1180399896 /nfs/dbraw/zinc/39/98/96/1180399896.db2.gz RYZWUGILXXXUCD-VXGBXAGGSA-N 1 0 316.361 3.117 20 5 DGBDRO Cn1cc(CN2CCC[C@@H]2c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC001352878364 1180413832 /nfs/dbraw/zinc/41/38/32/1180413832.db2.gz KIUQJRRHDYGGGC-CQSZACIVSA-N 1 0 320.780 3.319 20 5 DGBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCC2)c2ccccc21 ZINC001353224143 1180501069 /nfs/dbraw/zinc/50/10/69/1180501069.db2.gz UWASYHAAUOAFEW-UHFFFAOYSA-N 1 0 300.362 3.041 20 5 DGBDRO O=C(CC[NH2+]CC1CCC(F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001353337966 1180532050 /nfs/dbraw/zinc/53/20/50/1180532050.db2.gz DLCTZWUZPQCQJF-UHFFFAOYSA-N 1 0 323.368 3.041 20 5 DGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001472637596 1180782204 /nfs/dbraw/zinc/78/22/04/1180782204.db2.gz ZXVVNUGTOBBMDJ-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)c2c(F)cccc2Cl)c1 ZINC001200715357 1180847260 /nfs/dbraw/zinc/84/72/60/1180847260.db2.gz YHOBITKXBZKLCR-AWEZNQCLSA-N 1 0 324.739 3.211 20 5 DGBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCCC2)c2ccccc21 ZINC001458075553 1182494907 /nfs/dbraw/zinc/49/49/07/1182494907.db2.gz WQOXNRKNEBDEOH-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001459702347 1182606666 /nfs/dbraw/zinc/60/66/66/1182606666.db2.gz VUSCIECIHIHNAP-ILXRZTDVSA-N 1 0 318.421 3.302 20 5 DGBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2CCC2CCCC2)c([N+](=O)[O-])n1 ZINC001459769340 1182613211 /nfs/dbraw/zinc/61/32/11/1182613211.db2.gz GROWIQBLQWFVNU-OAHLLOKOSA-N 1 0 306.410 3.263 20 5 DGBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460139247 1182656282 /nfs/dbraw/zinc/65/62/82/1182656282.db2.gz FEFCDQKOXCLRSC-AWEZNQCLSA-N 1 0 311.813 3.164 20 5 DGBDRO C[C@H](C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC001460622211 1182700948 /nfs/dbraw/zinc/70/09/48/1182700948.db2.gz UCDAUGUODMEHSF-SUMWQHHRSA-N 1 0 308.422 3.464 20 5 DGBDRO Cc1cc(F)ccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001461159897 1182775611 /nfs/dbraw/zinc/77/56/11/1182775611.db2.gz LETYRUZNTPOBEY-UHFFFAOYSA-N 1 0 304.321 3.211 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C(C2CCC2)C2CCC2)c1[N+](=O)[O-] ZINC001462214967 1182925270 /nfs/dbraw/zinc/92/52/70/1182925270.db2.gz KPEXIQPHCZHGFC-UHFFFAOYSA-N 1 0 320.389 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(N(CC[NH+]2CCCCCC2)C2CCC2)cn1 ZINC001472792750 1183682217 /nfs/dbraw/zinc/68/22/17/1183682217.db2.gz BPBMTJWAUUILMB-UHFFFAOYSA-N 1 0 318.421 3.225 20 5 DGBDRO Cc1cc(N2CCC3(CC2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC001472850394 1183690556 /nfs/dbraw/zinc/69/05/56/1183690556.db2.gz WHHAPXSAMVVWOF-UHFFFAOYSA-N 1 0 303.406 3.215 20 5 DGBDRO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC[N+](=O)[O-] ZINC001473286817 1183739085 /nfs/dbraw/zinc/73/90/85/1183739085.db2.gz NUEYNAXXCBSNAO-HNAYVOBHSA-N 1 0 310.397 3.342 20 5 DGBDRO CC(C)(C)[C@H]1CSCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001473751374 1183797302 /nfs/dbraw/zinc/79/73/02/1183797302.db2.gz UFPIRODABOCHQM-OAHLLOKOSA-N 1 0 324.446 3.437 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001474029733 1183853887 /nfs/dbraw/zinc/85/38/87/1183853887.db2.gz XXFPIEJSYZFDFO-CABCVRRESA-N 1 0 305.422 3.174 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001474029736 1183854195 /nfs/dbraw/zinc/85/41/95/1183854195.db2.gz XXFPIEJSYZFDFO-LSDHHAIUSA-N 1 0 305.422 3.174 20 5 DGBDRO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001474152304 1183874838 /nfs/dbraw/zinc/87/48/38/1183874838.db2.gz PCUXMYCLNFZJLX-NWDGAFQWSA-N 1 0 308.378 3.225 20 5 DGBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001474321795 1183904228 /nfs/dbraw/zinc/90/42/28/1183904228.db2.gz SVYUPRYMAZKSCT-CYBMUJFWSA-N 1 0 308.378 3.464 20 5 DGBDRO CC(C)C[C@H](C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001474405774 1183915826 /nfs/dbraw/zinc/91/58/26/1183915826.db2.gz CXAHGZNOHUQPAH-HNNXBMFYSA-N 1 0 305.422 3.399 20 5 DGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001612607426 1193457593 /nfs/dbraw/zinc/45/75/93/1193457593.db2.gz QGAICMNZKCGODJ-LLVKDONJSA-N 1 0 312.801 3.176 20 5 DGBDRO O=C(C[NH+]1CCCCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC001617969384 1193587532 /nfs/dbraw/zinc/58/75/32/1193587532.db2.gz WKOJATOHVBBEOD-UHFFFAOYSA-N 1 0 305.378 3.190 20 5 DGBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001558589546 1189136673 /nfs/dbraw/zinc/13/66/73/1189136673.db2.gz AOJPUGGLFQFQQE-UHFFFAOYSA-N 1 0 322.280 3.241 20 5 DGBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1cccc([N+](=O)[O-])c1Cl ZINC001558590287 1189136734 /nfs/dbraw/zinc/13/67/34/1189136734.db2.gz GFKZSNINRGKEHL-UHFFFAOYSA-N 1 0 316.704 3.148 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001559101543 1189170841 /nfs/dbraw/zinc/17/08/41/1189170841.db2.gz LSSIUPQFJBDZBG-JTQLQIEISA-N 1 0 317.311 3.367 20 5 DGBDRO C[NH2+]C1(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CCC1 ZINC001559192644 1189178975 /nfs/dbraw/zinc/17/89/75/1189178975.db2.gz DYKLSBCAPCNBMP-UHFFFAOYSA-N 1 0 304.177 3.456 20 5 DGBDRO CN(CCCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001559271044 1189189806 /nfs/dbraw/zinc/18/98/06/1189189806.db2.gz QTXSUHINNWQEDV-UHFFFAOYSA-N 1 0 319.327 3.392 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001559295951 1189193790 /nfs/dbraw/zinc/19/37/90/1189193790.db2.gz VIRPQNCXLGXPHJ-ZDUSSCGKSA-N 1 0 300.362 3.039 20 5 DGBDRO C[NH+](C)CCSCc1cc([N+](=O)[O-])ccc1Br ZINC001559388447 1189201285 /nfs/dbraw/zinc/20/12/85/1189201285.db2.gz MHTSUWSOGVVWSC-UHFFFAOYSA-N 1 0 319.224 3.152 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001559752076 1189238230 /nfs/dbraw/zinc/23/82/30/1189238230.db2.gz RNLOOUVIZJKRBW-BBRMVZONSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001559752077 1189238503 /nfs/dbraw/zinc/23/85/03/1189238503.db2.gz RNLOOUVIZJKRBW-CJNGLKHVSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H]1C ZINC001559769758 1189240377 /nfs/dbraw/zinc/24/03/77/1189240377.db2.gz SEKDNZHKORNMRI-NWDGAFQWSA-N 1 0 306.362 3.002 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC001559811702 1189245293 /nfs/dbraw/zinc/24/52/93/1189245293.db2.gz NTHXSNIFBUAKCL-CVEARBPZSA-N 1 0 322.405 3.157 20 5 DGBDRO CCOC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1)C(C)C ZINC001559823578 1189246115 /nfs/dbraw/zinc/24/61/15/1189246115.db2.gz QNBDLIWEGURIHG-CQSZACIVSA-N 1 0 310.394 3.144 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001559836017 1189247142 /nfs/dbraw/zinc/24/71/42/1189247142.db2.gz DOXATALMVDZYAD-NWDGAFQWSA-N 1 0 302.378 3.482 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC2(CCCC2)CC1 ZINC001559991934 1189266530 /nfs/dbraw/zinc/26/65/30/1189266530.db2.gz KXISJTBXQQFYLM-UHFFFAOYSA-N 1 0 306.410 3.146 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC001560188922 1189289265 /nfs/dbraw/zinc/28/92/65/1189289265.db2.gz YJABAFHWIWSZHU-OAHLLOKOSA-N 1 0 322.430 3.191 20 5 DGBDRO CC(C)[C@@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001560339710 1189314126 /nfs/dbraw/zinc/31/41/26/1189314126.db2.gz CIRTVKBWONGOLE-INIZCTEOSA-N 1 0 318.373 3.351 20 5 DGBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)c[nH]c1=O ZINC001560611136 1189348337 /nfs/dbraw/zinc/34/83/37/1189348337.db2.gz PATAXSVUOGOVQT-WUXMJOGZSA-N 1 0 313.357 3.197 20 5 DGBDRO CC(C)C[C@@H](CN1CCCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001560844937 1189392895 /nfs/dbraw/zinc/39/28/95/1189392895.db2.gz CLNXEIGWSKLUBS-KRWDZBQOSA-N 1 0 319.449 3.237 20 5 DGBDRO COc1ccccc1C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001620762609 1191442901 /nfs/dbraw/zinc/44/29/01/1191442901.db2.gz FIFDQDBHPXGRGP-UHFFFAOYSA-N 1 0 312.369 3.425 20 5 DGBDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001576390444 1191581540 /nfs/dbraw/zinc/58/15/40/1191581540.db2.gz OAXKBMNNEVYHMA-YUELXQCFSA-N 1 0 323.824 3.114 20 5 DGBDRO CC(C)(C)[C@@H]1CSCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001620533991 1193776987 /nfs/dbraw/zinc/77/69/87/1193776987.db2.gz DUJZSEJMTNFSAV-HNNXBMFYSA-N 1 0 324.446 3.437 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c1 ZINC001620629750 1193785227 /nfs/dbraw/zinc/78/52/27/1193785227.db2.gz BERIZMNJQDWIOP-SZMVWBNQSA-N 1 0 316.401 3.139 20 5 DGBDRO Cn1cc(C[N@@H+]2CCCCC23CCCCCC3)c([N+](=O)[O-])n1 ZINC001620675815 1193789884 /nfs/dbraw/zinc/78/98/84/1193789884.db2.gz CZRMBTMLEZPAHT-UHFFFAOYSA-N 1 0 306.410 3.407 20 5 DGBDRO CC(C)c1ccc(CN[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001621108430 1193803950 /nfs/dbraw/zinc/80/39/50/1193803950.db2.gz OUUBKJKDWAIGTH-USXIJHARSA-N 1 0 317.433 3.148 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC001640154484 1194799338 /nfs/dbraw/zinc/79/93/38/1194799338.db2.gz GSECVNLRDXEKQH-CHWSQXEVSA-N 1 0 311.332 3.158 20 5 DGBDRO COc1cc(N(C)CCCC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC001640355343 1194807940 /nfs/dbraw/zinc/80/79/40/1194807940.db2.gz YNEKDIUEKIBJSI-UHFFFAOYSA-N 1 0 315.801 3.035 20 5 DGBDRO C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC001642072600 1194886759 /nfs/dbraw/zinc/88/67/59/1194886759.db2.gz JQXOLDCHKUWGIG-NWDGAFQWSA-N 1 0 317.393 3.146 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001642154349 1194890773 /nfs/dbraw/zinc/89/07/73/1194890773.db2.gz WPEIGNSPKSYCMS-CYBMUJFWSA-N 1 0 318.421 3.012 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001642757866 1194935578 /nfs/dbraw/zinc/93/55/78/1194935578.db2.gz IHWBZHSSXDGEOJ-JTQLQIEISA-N 1 0 301.337 3.405 20 5 DGBDRO CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC001642792004 1194939808 /nfs/dbraw/zinc/93/98/08/1194939808.db2.gz WMDALIXOWSNLCJ-NWDGAFQWSA-N 1 0 316.361 3.265 20 5 DGBDRO COCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC001642938216 1194955500 /nfs/dbraw/zinc/95/55/00/1194955500.db2.gz NUSKTSKFSNHKIC-IUODEOHRSA-N 1 0 310.369 3.371 20 5 DGBDRO C[N@@H+]1CC[C@H]1CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001643213718 1195005374 /nfs/dbraw/zinc/00/53/74/1195005374.db2.gz KBBHNHABZCLRGL-ZETCQYMHSA-N 1 0 323.702 3.383 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001643810958 1195056348 /nfs/dbraw/zinc/05/63/48/1195056348.db2.gz HOEBVSRXNFYQJE-KNCOVGOOSA-N 1 0 304.390 3.057 20 5 DGBDRO CC[N@H+](CC[N+](=O)[O-])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001643905257 1195061884 /nfs/dbraw/zinc/06/18/84/1195061884.db2.gz OKTDMMJPYBEWPT-NSHDSACASA-N 1 0 304.312 3.235 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC001644690336 1195127492 /nfs/dbraw/zinc/12/74/92/1195127492.db2.gz BGCHBCBOHUTIQA-NVXWUHKLSA-N 1 0 322.405 3.239 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCC(C)(C)O1 ZINC001645598483 1195194378 /nfs/dbraw/zinc/19/43/78/1195194378.db2.gz BDECKAOQUHFAKV-OAHLLOKOSA-N 1 0 306.406 3.417 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC12CCCCC2 ZINC001645733517 1195199941 /nfs/dbraw/zinc/19/99/41/1195199941.db2.gz XDEMHNDPOMHMQV-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO Cc1cc(NC(=O)C2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])c1 ZINC001648037447 1195271981 /nfs/dbraw/zinc/27/19/81/1195271981.db2.gz UOIVHDKPGWNCBM-UHFFFAOYSA-N 1 0 319.405 3.210 20 5 DGBDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001648277472 1195288810 /nfs/dbraw/zinc/28/88/10/1195288810.db2.gz MEZJLXLCCDBMDV-CYBMUJFWSA-N 1 0 313.357 3.193 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2(C)CC2)cccc1[N+](=O)[O-] ZINC001648526392 1195306937 /nfs/dbraw/zinc/30/69/37/1195306937.db2.gz VENBBANLGNQWCK-NEPJUHHUSA-N 1 0 305.378 3.008 20 5 DGBDRO CC(C)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001651262663 1195434344 /nfs/dbraw/zinc/43/43/44/1195434344.db2.gz IMRJHVCONSTZKB-OAHLLOKOSA-N 1 0 322.405 3.298 20 5 DGBDRO C[NH+]1C[C@]2(C)CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC001651302169 1195440856 /nfs/dbraw/zinc/44/08/56/1195440856.db2.gz ZMRWLSVFLKBRRC-HUUCEWRRSA-N 1 0 309.797 3.026 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001651475339 1195467981 /nfs/dbraw/zinc/46/79/81/1195467981.db2.gz ISDQZHVEMJUTGI-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO CCCn1cncc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001651623489 1195487781 /nfs/dbraw/zinc/48/77/81/1195487781.db2.gz LBDVMTLIIKPROT-ZDUSSCGKSA-N 1 0 302.378 3.095 20 5 DGBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001651698919 1195499329 /nfs/dbraw/zinc/49/93/29/1195499329.db2.gz FBJJEHGWIUCJQO-CJNGLKHVSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC001651965493 1195529217 /nfs/dbraw/zinc/52/92/17/1195529217.db2.gz SWAPFWOXYLIYRS-INIZCTEOSA-N 1 0 317.433 3.272 20 5 DGBDRO Cc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC001651993358 1195533597 /nfs/dbraw/zinc/53/35/97/1195533597.db2.gz QCAAPMTWSCSFQC-UKRRQHHQSA-N 1 0 307.369 3.471 20 5 DGBDRO C[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC001652066674 1195544049 /nfs/dbraw/zinc/54/40/49/1195544049.db2.gz CGQWOIPIGGIQBQ-AWEZNQCLSA-N 1 0 305.422 3.399 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC001652248430 1195568433 /nfs/dbraw/zinc/56/84/33/1195568433.db2.gz BXLWWMJGZQWPSP-AWEZNQCLSA-N 1 0 312.373 3.013 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001652508893 1195607855 /nfs/dbraw/zinc/60/78/55/1195607855.db2.gz YYRYWDMVHOUPDG-CQSZACIVSA-N 1 0 308.426 3.248 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC001652508892 1195608785 /nfs/dbraw/zinc/60/87/85/1195608785.db2.gz YYRYWDMVHOUPDG-AWEZNQCLSA-N 1 0 308.426 3.248 20 5 DGBDRO CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001653360580 1195714443 /nfs/dbraw/zinc/71/44/43/1195714443.db2.gz RWIUGIQGUSZOMH-KGLIPLIRSA-N 1 0 319.405 3.434 20 5 DGBDRO CCOC(=O)[C@@H](CC)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001653648695 1195740959 /nfs/dbraw/zinc/74/09/59/1195740959.db2.gz HLYICPUXGKSWFA-GOEBONIOSA-N 1 0 320.389 3.116 20 5 DGBDRO Cc1c(CN2CC[N@@H+](C)[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001654906922 1195853635 /nfs/dbraw/zinc/85/36/35/1195853635.db2.gz DIADUZYIYZBFGH-INIZCTEOSA-N 1 0 305.422 3.065 20 5 DGBDRO C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC001655624604 1195941682 /nfs/dbraw/zinc/94/16/82/1195941682.db2.gz XTOJLRACKHSLLJ-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)CCCCC1 ZINC001655795865 1195963003 /nfs/dbraw/zinc/96/30/03/1195963003.db2.gz HGUHZWBEJKAIRC-UHFFFAOYSA-N 1 0 322.409 3.111 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001655799802 1195964503 /nfs/dbraw/zinc/96/45/03/1195964503.db2.gz NGVLBDFMONFNSR-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO CC(C)[N@H+](C)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001656275150 1196025367 /nfs/dbraw/zinc/02/53/67/1196025367.db2.gz GGIVVZBVDXELRT-UHFFFAOYSA-N 1 0 317.389 3.285 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001656385126 1196035111 /nfs/dbraw/zinc/03/51/11/1196035111.db2.gz YWUCJQVMDHRZFT-AWEZNQCLSA-N 1 0 306.362 3.146 20 5 DGBDRO COc1ccccc1O[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001656626544 1196056122 /nfs/dbraw/zinc/05/61/22/1196056122.db2.gz DKBUORCHJGNUAB-CYBMUJFWSA-N 1 0 316.357 3.161 20 5 DGBDRO CC(C)c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001656798420 1196071695 /nfs/dbraw/zinc/07/16/95/1196071695.db2.gz GWSLXNZZLHRDFQ-IAGOWNOFSA-N 1 0 317.433 3.435 20 5 DGBDRO Cn1c(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc2ccccc21 ZINC001657287329 1196127535 /nfs/dbraw/zinc/12/75/35/1196127535.db2.gz BWTMPMQTZKGNRU-UHFFFAOYSA-N 1 0 309.369 3.419 20 5 DGBDRO COC(=O)CC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)CC(C)C ZINC001657499436 1196148732 /nfs/dbraw/zinc/14/87/32/1196148732.db2.gz DOLCCPOWRKGPTQ-UHFFFAOYSA-N 1 0 322.405 3.233 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC1 ZINC001657738867 1196174060 /nfs/dbraw/zinc/17/40/60/1196174060.db2.gz GIGAPBAIOQPPEI-SECBINFHSA-N 1 0 300.305 3.474 20 5 DGBDRO Cc1c(C[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001657829761 1196181611 /nfs/dbraw/zinc/18/16/11/1196181611.db2.gz DCEJFOXLOHFZQC-OKILXGFUSA-N 1 0 320.389 3.113 20 5 DGBDRO Nc1c(Cl)cccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001657887026 1196190908 /nfs/dbraw/zinc/19/09/08/1196190908.db2.gz FAORATGXKNGEEY-UHFFFAOYSA-N 1 0 305.765 3.163 20 5 DGBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001658652108 1196284606 /nfs/dbraw/zinc/28/46/06/1196284606.db2.gz PIIZENKMSPOEAY-FZMZJTMJSA-N 1 0 318.398 3.448 20 5 DGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001658757630 1196296956 /nfs/dbraw/zinc/29/69/56/1196296956.db2.gz XKSMJOCEPDTSST-XOSAIJSUSA-N 1 0 320.433 3.445 20 5 DGBDRO CCC(CC)[N@H+](CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001658837115 1196307192 /nfs/dbraw/zinc/30/71/92/1196307192.db2.gz NRXPXMHGUCNVIS-UHFFFAOYSA-N 1 0 308.378 3.392 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@]2(C)CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC001659389828 1196378468 /nfs/dbraw/zinc/37/84/68/1196378468.db2.gz RSGILKNVNYENBJ-ZBEGNZNMSA-N 1 0 308.378 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1 ZINC001659889649 1196426189 /nfs/dbraw/zinc/42/61/89/1196426189.db2.gz QYGLQUDTZBWLFH-BMFZPTHFSA-N 1 0 324.808 3.374 20 5 DGBDRO Cc1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC001659912912 1196428888 /nfs/dbraw/zinc/42/88/88/1196428888.db2.gz LXIUKYMJKSMOMD-MRXNPFEDSA-N 1 0 304.390 3.485 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)C1CCCC1 ZINC001660083168 1196442994 /nfs/dbraw/zinc/44/29/94/1196442994.db2.gz TYUUVLQTCPTECH-PBHICJAKSA-N 1 0 320.433 3.447 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC001660695337 1196513591 /nfs/dbraw/zinc/51/35/91/1196513591.db2.gz IXGITRAZEGIUNT-RDJZCZTQSA-N 1 0 316.332 3.199 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccc([C@H](C)O)cc2)cc1[N+](=O)[O-] ZINC001661121503 1196569785 /nfs/dbraw/zinc/56/97/85/1196569785.db2.gz SXTJMMPBUDMKPB-ZDUSSCGKSA-N 1 0 300.358 3.246 20 5 DGBDRO CC[C@@H]([NH2+]Cc1nc(C)ccc1O)c1cccc([N+](=O)[O-])c1 ZINC001661950004 1196665303 /nfs/dbraw/zinc/66/53/03/1196665303.db2.gz ZSIQQWDCGKZYQP-CQSZACIVSA-N 1 0 301.346 3.245 20 5 DGBDRO Cc1c(C[NH2+]CC(C)(C)C2=CCOCC2)cccc1[N+](=O)[O-] ZINC001663475011 1196879533 /nfs/dbraw/zinc/87/95/33/1196879533.db2.gz STLROPAJIYWPIV-UHFFFAOYSA-N 1 0 304.390 3.366 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CO ZINC001664716290 1197042850 /nfs/dbraw/zinc/04/28/50/1197042850.db2.gz GKBXEMYAUCFBLZ-PQEBFOHHSA-N 1 0 318.417 3.057 20 5 DGBDRO C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001665377777 1197131022 /nfs/dbraw/zinc/13/10/22/1197131022.db2.gz GNFRXENRCJSWGX-OOPCZODUSA-N 1 0 320.389 3.487 20 5 DGBDRO CCOC(=O)C(CC)(CC)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001665397995 1197131523 /nfs/dbraw/zinc/13/15/23/1197131523.db2.gz DOWYFLNKOFFANS-UHFFFAOYSA-N 1 0 322.405 3.362 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000255449029 1203844605 /nfs/dbraw/zinc/84/46/05/1203844605.db2.gz BOLWEYMMRHIGTO-CWPZSORWSA-N 1 0 302.374 3.109 20 5 DGBDRO [NH3+]Cc1ccc2c(n1)N(c1cc([N+](=O)[O-])ccc1Cl)CCC2 ZINC001169592448 1081601213 /nfs/dbraw/zinc/60/12/13/1081601213.db2.gz SREXAEJVYLAFOU-UHFFFAOYSA-N 1 0 318.764 3.186 20 5 DGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cnc(F)c([N+](=O)[O-])c1 ZINC001169690552 1081630004 /nfs/dbraw/zinc/63/00/04/1081630004.db2.gz MYGAZKRWGSIWPR-ZDUSSCGKSA-N 1 0 316.336 3.369 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001169719061 1081639033 /nfs/dbraw/zinc/63/90/33/1081639033.db2.gz VADSSUDFIHQBME-UHFFFAOYSA-N 1 0 320.315 3.151 20 5 DGBDRO Cc1cc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc([N+](=O)[O-])c1 ZINC001648794220 1081772518 /nfs/dbraw/zinc/77/25/18/1081772518.db2.gz CQQSZMRCRSHKSS-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO Cc1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC001648794280 1081772632 /nfs/dbraw/zinc/77/26/32/1081772632.db2.gz GHLQRSFBUFXBIK-UPJWGTAASA-N 1 0 305.378 3.103 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC001170294893 1082337821 /nfs/dbraw/zinc/33/78/21/1082337821.db2.gz DWPXROBKKCVGIQ-CYBMUJFWSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cnc(C)s2)c([N+](=O)[O-])c1 ZINC001170298334 1082338180 /nfs/dbraw/zinc/33/81/80/1082338180.db2.gz JDVKRBSNZNBXEJ-SNVBAGLBSA-N 1 0 321.402 3.089 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]C2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC001170299750 1082338646 /nfs/dbraw/zinc/33/86/46/1082338646.db2.gz WBVXDUSWQAQLET-XGNXJENSSA-N 1 0 310.369 3.405 20 5 DGBDRO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170355876 1082350379 /nfs/dbraw/zinc/35/03/79/1082350379.db2.gz RYTUIIASEWTMCG-HEHGZKQESA-N 1 0 322.405 3.034 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170344948 1082355484 /nfs/dbraw/zinc/35/54/84/1082355484.db2.gz FUAXASGGOCPGJJ-CYBMUJFWSA-N 1 0 322.405 3.035 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CCC[NH2+]C[C@H]2F)cc1Cl ZINC001217953247 1082966993 /nfs/dbraw/zinc/96/69/93/1082966993.db2.gz XLARHRNVAJLAKC-MWLCHTKSSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[NH2+]CCC[C@H]2F)cc1Cl ZINC001217979348 1082979288 /nfs/dbraw/zinc/97/92/88/1082979288.db2.gz GASNEZCWQYXATK-BXKDBHETSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2C[NH2+]CCC[C@H]2F)cc1Cl ZINC001217979352 1082979403 /nfs/dbraw/zinc/97/94/03/1082979403.db2.gz GASNEZCWQYXATK-SKDRFNHKSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001218029131 1083013025 /nfs/dbraw/zinc/01/30/25/1083013025.db2.gz YYEFYRFZILRUBW-QPUJVOFHSA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cnc(Cl)cc1[N+](=O)[O-] ZINC001167751515 1083624616 /nfs/dbraw/zinc/62/46/16/1083624616.db2.gz JGNAPZLCBKENMQ-NSHDSACASA-N 1 0 312.801 3.320 20 5 DGBDRO COC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC001183972749 1084077646 /nfs/dbraw/zinc/07/76/46/1084077646.db2.gz XXKMMMMDFHQJRS-LBPRGKRZSA-N 1 0 300.786 3.256 20 5 DGBDRO C[C@@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC001186593832 1084677962 /nfs/dbraw/zinc/67/79/62/1084677962.db2.gz MPAGPQVHCQVFET-AOOOYVTPSA-N 1 0 317.311 3.142 20 5 DGBDRO CN(C[C@H]1CCC[N@@H+]1C)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001186763869 1084699196 /nfs/dbraw/zinc/69/91/96/1084699196.db2.gz JSNJKJFDQBVOIY-LLVKDONJSA-N 1 0 317.311 3.144 20 5 DGBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001187423145 1084799468 /nfs/dbraw/zinc/79/94/68/1084799468.db2.gz PGCZGKIABWFOHN-SNVBAGLBSA-N 1 0 303.284 3.120 20 5 DGBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1C(F)(F)F ZINC001225776313 1085603596 /nfs/dbraw/zinc/60/35/96/1085603596.db2.gz JDQUADDSXQYZQQ-SNVBAGLBSA-N 1 0 304.332 3.382 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167983510 1085937293 /nfs/dbraw/zinc/93/72/93/1085937293.db2.gz RKEMANASRYKNGT-UHFFFAOYSA-N 1 0 311.341 3.054 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC001228061123 1086796733 /nfs/dbraw/zinc/79/67/33/1086796733.db2.gz QVMZCAQHZTXNKS-UHFFFAOYSA-N 1 0 313.785 3.285 20 5 DGBDRO CC1(Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168183345 1087028987 /nfs/dbraw/zinc/02/89/87/1087028987.db2.gz DWJLEPHKMMXQQW-UHFFFAOYSA-N 1 0 312.373 3.211 20 5 DGBDRO CC1(C)C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001158264054 1087749422 /nfs/dbraw/zinc/74/94/22/1087749422.db2.gz ANNNTIBWSBPUSM-IAQYHMDHSA-N 1 0 310.373 3.085 20 5 DGBDRO Cc1nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001158268650 1087751588 /nfs/dbraw/zinc/75/15/88/1087751588.db2.gz PUZKUOWTGJIZEE-LRDDRELGSA-N 1 0 306.410 3.254 20 5 DGBDRO Cc1cc(N2CCC[C@@](C)(C[NH3+])C2)nc2ccc([N+](=O)[O-])cc12 ZINC001158675494 1087969053 /nfs/dbraw/zinc/96/90/53/1087969053.db2.gz MYRBYAIVGRDYHM-KRWDZBQOSA-N 1 0 314.389 3.017 20 5 DGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001159582332 1088403086 /nfs/dbraw/zinc/40/30/86/1088403086.db2.gz VBSSVBLWYDXXNX-UHFFFAOYSA-N 1 0 300.362 3.278 20 5 DGBDRO Cc1nc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC001159589896 1088404444 /nfs/dbraw/zinc/40/44/44/1088404444.db2.gz AIGYZVHDXMFSIH-NSHDSACASA-N 1 0 323.356 3.171 20 5 DGBDRO Cc1cc2nc3ccc(N(C)C)cc3nc2cc1NC1=CC[NH2+]C1 ZINC001159656698 1088435372 /nfs/dbraw/zinc/43/53/72/1088435372.db2.gz XKFKMHCQVUDYAZ-UHFFFAOYSA-N 1 0 319.412 3.056 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2ccc3c(c2)CC[NH2+]CC3)c1F ZINC001159678740 1088442782 /nfs/dbraw/zinc/44/27/82/1088442782.db2.gz DROPJZSWRSBYBZ-UHFFFAOYSA-N 1 0 301.321 3.166 20 5 DGBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccc3c(c2)CC[NH2+]CC3)c1 ZINC001159680869 1088444404 /nfs/dbraw/zinc/44/44/04/1088444404.db2.gz DLGVCDMGJGYXPD-UHFFFAOYSA-N 1 0 301.321 3.166 20 5 DGBDRO O=[N+]([O-])c1ccccc1Nc1ccccc1OC1CC[NH2+]CC1 ZINC001159804900 1088495427 /nfs/dbraw/zinc/49/54/27/1088495427.db2.gz BJDUPZAVOSDCLA-UHFFFAOYSA-N 1 0 313.357 3.469 20 5 DGBDRO Cc1ccc(Nc2ccccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001159813704 1088500587 /nfs/dbraw/zinc/50/05/87/1088500587.db2.gz BRQKYQHQFFKENR-UHFFFAOYSA-N 1 0 312.373 3.056 20 5 DGBDRO O=[N+]([O-])c1c(Cl)ccc2nc(NC[C@H]3CCCC[NH2+]3)ccc21 ZINC001160146486 1088669039 /nfs/dbraw/zinc/66/90/39/1088669039.db2.gz AGAWXCADWLFSNC-SNVBAGLBSA-N 1 0 320.780 3.350 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001160478196 1088828531 /nfs/dbraw/zinc/82/85/31/1088828531.db2.gz ZESAQEAPSHNCDV-ZDUSSCGKSA-N 1 0 321.421 3.062 20 5 DGBDRO C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[NH2+]1 ZINC001155101438 1088947149 /nfs/dbraw/zinc/94/71/49/1088947149.db2.gz CRNZJMMUFDKLCU-CHWSQXEVSA-N 1 0 312.373 3.067 20 5 DGBDRO O=[N+]([O-])c1cccc2nc(NC[C@@]3(F)CCCC[NH2+]C3)ccc21 ZINC001155116530 1088955989 /nfs/dbraw/zinc/95/59/89/1088955989.db2.gz KDVFHCVKGSLNFI-MRXNPFEDSA-N 1 0 318.352 3.037 20 5 DGBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001155248473 1089024938 /nfs/dbraw/zinc/02/49/38/1089024938.db2.gz UPFXALXCPSIVOQ-MRVPVSSYSA-N 1 0 317.736 3.002 20 5 DGBDRO Cc1cc(NCC[C@H]2CCC[N@H+]2C)nc2ccc([N+](=O)[O-])cc12 ZINC001160966344 1089047531 /nfs/dbraw/zinc/04/75/31/1089047531.db2.gz BXUAKJIHVHADDM-CYBMUJFWSA-N 1 0 314.389 3.348 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001155300094 1089056053 /nfs/dbraw/zinc/05/60/53/1089056053.db2.gz SVWHMAXOJYMHTL-CYBMUJFWSA-N 1 0 320.352 3.165 20 5 DGBDRO [NH3+]C1(CC2CCC2)CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001161569106 1089292182 /nfs/dbraw/zinc/29/21/82/1089292182.db2.gz BXVMDGUOWZNIJS-UHFFFAOYSA-N 1 0 324.812 3.131 20 5 DGBDRO C[C@@H](C[NH+](C)C)Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001155920618 1089301573 /nfs/dbraw/zinc/30/15/73/1089301573.db2.gz GOZVRGQXAUHNKR-VIFPVBQESA-N 1 0 308.769 3.158 20 5 DGBDRO C[NH+](C)CCNc1nc2c(ccc3ccccc32)nc1Cl ZINC001161667132 1089335954 /nfs/dbraw/zinc/33/59/54/1089335954.db2.gz ZDDQMGRNLDNCDO-UHFFFAOYSA-N 1 0 300.793 3.410 20 5 DGBDRO Cc1c(C)c(NCc2cccc(C[NH+](C)C)c2)ncc1[N+](=O)[O-] ZINC001156048045 1089365803 /nfs/dbraw/zinc/36/58/03/1089365803.db2.gz MKOKPWAPPZQELC-UHFFFAOYSA-N 1 0 314.389 3.280 20 5 DGBDRO CC[NH+](CC)CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001161970651 1089500187 /nfs/dbraw/zinc/50/01/87/1089500187.db2.gz LVGBTBQBPKXFCB-UHFFFAOYSA-N 1 0 305.300 3.367 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001156386159 1089500236 /nfs/dbraw/zinc/50/02/36/1089500236.db2.gz POZZSWTWFPOVMA-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO Cn1ccc2cc(CNc3cc4c(cc3[N+](=O)[O-])C[NH2+]C4)ccc21 ZINC001162169057 1089587697 /nfs/dbraw/zinc/58/76/97/1089587697.db2.gz JKUUUBJHWQSWNO-UHFFFAOYSA-N 1 0 322.368 3.302 20 5 DGBDRO C[C@@]1([NH3+])C[C@H](Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001162328797 1089674738 /nfs/dbraw/zinc/67/47/38/1089674738.db2.gz LXPOUWFULFUGDD-XZWHAEGMSA-N 1 0 306.753 3.088 20 5 DGBDRO C[N@@H+]1CCC[C@@](C)(Nc2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001162341840 1089683494 /nfs/dbraw/zinc/68/34/94/1089683494.db2.gz PFPLREWRDRQFMX-MRXNPFEDSA-N 1 0 300.362 3.039 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])C1 ZINC001162390913 1089709905 /nfs/dbraw/zinc/70/99/05/1089709905.db2.gz JTUTYCQAAQFRMS-KGLIPLIRSA-N 1 0 312.373 3.339 20 5 DGBDRO [NH3+]CCc1ccn(-c2ccc3ccc4ccc(Cl)nc4c3n2)n1 ZINC001156898722 1089736165 /nfs/dbraw/zinc/73/61/65/1089736165.db2.gz WQRUBFCECITQPL-UHFFFAOYSA-N 1 0 323.787 3.123 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001162452528 1089738002 /nfs/dbraw/zinc/73/80/02/1089738002.db2.gz FXGXBUPZIFYWJF-OLZOCXBDSA-N 1 0 320.437 3.335 20 5 DGBDRO CN(c1ccc2ccc3cccnc3c2n1)[C@@]1(C)CCC[NH2+]C1 ZINC001156955746 1089763093 /nfs/dbraw/zinc/76/30/93/1089763093.db2.gz KNMDBJZCNYTURO-IBGZPJMESA-N 1 0 306.413 3.361 20 5 DGBDRO [NH3+]Cc1ccc(Nc2ccc3c(cccc3[N+](=O)[O-])n2)cc1F ZINC001162526003 1089775463 /nfs/dbraw/zinc/77/54/63/1089775463.db2.gz YBWNRDQMWBPHGK-UHFFFAOYSA-N 1 0 312.304 3.484 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001157264559 1089894186 /nfs/dbraw/zinc/89/41/86/1089894186.db2.gz FIGKAIBYOPJEQV-IAGOWNOFSA-N 1 0 318.424 3.313 20 5 DGBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001162758429 1089930718 /nfs/dbraw/zinc/93/07/18/1089930718.db2.gz IPICOWPZBVAWGZ-MRVPVSSYSA-N 1 0 317.736 3.002 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001162849215 1089992985 /nfs/dbraw/zinc/99/29/85/1089992985.db2.gz MODZZRLDWNPHGT-CQSZACIVSA-N 1 0 320.352 3.165 20 5 DGBDRO Cc1ccc2c(ccnc2N[C@@]23CCC[C@@H]2[NH2+]CC3)c1[N+](=O)[O-] ZINC001162978047 1090042648 /nfs/dbraw/zinc/04/26/48/1090042648.db2.gz MCCGTEGVHYDVIC-WMLDXEAASA-N 1 0 312.373 3.148 20 5 DGBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001157738976 1090092144 /nfs/dbraw/zinc/09/21/44/1090092144.db2.gz AXBOICFZLIUNPV-MWLCHTKSSA-N 1 0 320.780 3.112 20 5 DGBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001157743111 1090094868 /nfs/dbraw/zinc/09/48/68/1090094868.db2.gz HIFVQMNRZHWFAH-SKDRFNHKSA-N 1 0 320.780 3.112 20 5 DGBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001157746780 1090095468 /nfs/dbraw/zinc/09/54/68/1090095468.db2.gz NOKVOKIFXCLFQM-ONGXEEELSA-N 1 0 320.780 3.112 20 5 DGBDRO O=[N+]([O-])c1cc2cc[nH]c2c(N[C@H]2C[NH2+]Cc3ccsc32)c1 ZINC001163227148 1090125213 /nfs/dbraw/zinc/12/52/13/1090125213.db2.gz QFTVDAXHSQFKEO-ZDUSSCGKSA-N 1 0 314.370 3.394 20 5 DGBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]Cc3ccsc32)cc2cc[nH]c21 ZINC001163229929 1090126974 /nfs/dbraw/zinc/12/69/74/1090126974.db2.gz SBWFCDDLJBCZLP-LBPRGKRZSA-N 1 0 314.370 3.394 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(N[C@H](C[NH3+])c2ccccc2)nc1Cl ZINC001163294160 1090141475 /nfs/dbraw/zinc/14/14/75/1090141475.db2.gz JTHFSZDUDVTHAX-LLVKDONJSA-N 1 0 306.753 3.064 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001163480338 1090196584 /nfs/dbraw/zinc/19/65/84/1090196584.db2.gz GHZPXJONKULPEE-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO CCOc1cc(N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC001163722268 1090242642 /nfs/dbraw/zinc/24/26/42/1090242642.db2.gz VYIVRHFPGOYQBA-JKSUJKDBSA-N 1 0 319.405 3.278 20 5 DGBDRO C[C@H]1CC[C@H](C[NH3+])N(c2ccc3ccc4cccnc4c3n2)C1 ZINC001164067998 1090333200 /nfs/dbraw/zinc/33/32/00/1090333200.db2.gz DVMGPYQTGRQTKL-XJKSGUPXSA-N 1 0 306.413 3.347 20 5 DGBDRO CC(C)N(CCC[NH3+])c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001164122858 1090348977 /nfs/dbraw/zinc/34/89/77/1090348977.db2.gz RFJHHNNRIUSDHT-UHFFFAOYSA-N 1 0 305.300 3.177 20 5 DGBDRO CC[NH+]1CCC(N(C)c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001165068901 1090459712 /nfs/dbraw/zinc/45/97/12/1090459712.db2.gz YKLOZIXOPQFBCE-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO COc1cc(NCC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC001165290324 1090497848 /nfs/dbraw/zinc/49/78/48/1090497848.db2.gz SJOBBAPUVFOECM-CYBMUJFWSA-N 1 0 307.394 3.056 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c(Cl)c1 ZINC001165319832 1090501913 /nfs/dbraw/zinc/50/19/13/1090501913.db2.gz LZFDRBLCEWBHIB-CQSZACIVSA-N 1 0 324.812 3.002 20 5 DGBDRO [NH3+]CC[C@@H]1CN(c2cnc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC001168545629 1090527689 /nfs/dbraw/zinc/52/76/89/1090527689.db2.gz YKTOOHXDKHJJNB-SNVBAGLBSA-N 1 0 318.764 3.227 20 5 DGBDRO C[NH+](C)CCOc1cc(NC(C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC001168745156 1091043890 /nfs/dbraw/zinc/04/38/90/1091043890.db2.gz ZNUWBNNAOWFHKR-UHFFFAOYSA-N 1 0 319.405 3.136 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3C[C@@H]4CCCC[C@@H]43)nc2c1 ZINC001205551341 1091249993 /nfs/dbraw/zinc/24/99/93/1091249993.db2.gz SWOIZUSEVUKQLX-JKOKRWQUSA-N 1 0 300.362 3.139 20 5 DGBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001334955796 1091267075 /nfs/dbraw/zinc/26/70/75/1091267075.db2.gz IDILAYFIDHTVDO-YGRLFVJLSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC001207535669 1092014521 /nfs/dbraw/zinc/01/45/21/1092014521.db2.gz LDCIXIVFUVUUQF-UHFFFAOYSA-N 1 0 318.417 3.387 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCC1CSC1 ZINC001207844452 1092116624 /nfs/dbraw/zinc/11/66/24/1092116624.db2.gz NHEFUMSHSCSOOJ-UHFFFAOYSA-N 1 0 320.336 3.456 20 5 DGBDRO Cc1cc(Cl)c(-n2cnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])c1 ZINC001168846929 1092408429 /nfs/dbraw/zinc/40/84/29/1092408429.db2.gz WQEVSIMKYXCXOU-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)C1 ZINC001168978425 1092458691 /nfs/dbraw/zinc/45/86/91/1092458691.db2.gz SBMVRIWAVMXROC-DOMZBBRYSA-N 1 0 308.809 3.407 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC001168978563 1092459186 /nfs/dbraw/zinc/45/91/86/1092459186.db2.gz SLSXJZBAGQVKGH-IUCAKERBSA-N 1 0 319.224 3.046 20 5 DGBDRO [NH3+]CCN(c1cccc2ccccc21)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959399 1092462061 /nfs/dbraw/zinc/46/20/61/1092462061.db2.gz VQDWZRIEMXYMJN-ZBFHGGJFSA-N 1 0 313.401 3.050 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC001168956888 1092462710 /nfs/dbraw/zinc/46/27/10/1092462710.db2.gz GGFSXGOUAOZEGD-WCQYABFASA-N 1 0 302.296 3.240 20 5 DGBDRO Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168961877 1092465074 /nfs/dbraw/zinc/46/50/74/1092465074.db2.gz KQMXGSFIKYDIIL-DZGCQCFKSA-N 1 0 301.390 3.069 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCOc2ccc(Cl)cc2)C1 ZINC001168965582 1092468103 /nfs/dbraw/zinc/46/81/03/1092468103.db2.gz AUUZDADFWSUQDS-OCCSQVGLSA-N 1 0 312.797 3.144 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCOc2cccc(Cl)c2)C1 ZINC001168966918 1092468269 /nfs/dbraw/zinc/46/82/69/1092468269.db2.gz MFDSYACIMDNJOY-OCCSQVGLSA-N 1 0 312.797 3.144 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)C1 ZINC001168966953 1092468742 /nfs/dbraw/zinc/46/87/42/1092468742.db2.gz MKANFXNCVUGOTO-KOLCDFICSA-N 1 0 320.286 3.380 20 5 DGBDRO [NH3+]CCCc1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168966364 1092468789 /nfs/dbraw/zinc/46/87/89/1092468789.db2.gz IISJXQBSFDHASY-DZGCQCFKSA-N 1 0 301.390 3.151 20 5 DGBDRO CCCCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168968909 1092471160 /nfs/dbraw/zinc/47/11/60/1092471160.db2.gz BEYAAWUOGMBCJP-CVEARBPZSA-N 1 0 306.406 3.401 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)C1 ZINC001168995602 1092476399 /nfs/dbraw/zinc/47/63/99/1092476399.db2.gz SBOBMDUHOLELOV-GOEBONIOSA-N 1 0 306.381 3.326 20 5 DGBDRO [NH3+]CCc1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2cccc(Cl)c12 ZINC001169002679 1092481550 /nfs/dbraw/zinc/48/15/50/1092481550.db2.gz LVEBKOWAELBBOD-AAEUAGOBSA-N 1 0 321.808 3.414 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2F)C1 ZINC001169000648 1092481554 /nfs/dbraw/zinc/48/15/54/1092481554.db2.gz YKXSGOZCHXTEPI-CMPLNLGQSA-N 1 0 300.761 3.057 20 5 DGBDRO C[N@H+](Cc1nc2ccccc2s1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013395 1092487947 /nfs/dbraw/zinc/48/79/47/1092487947.db2.gz UUQGPIGGWINDJG-NWDGAFQWSA-N 1 0 305.403 3.174 20 5 DGBDRO Cc1ccc(Cl)c(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1F ZINC001168989833 1092491818 /nfs/dbraw/zinc/49/18/18/1092491818.db2.gz WXCPPFGTCBRVMI-NEPJUHHUSA-N 1 0 314.788 3.365 20 5 DGBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038327 1092500775 /nfs/dbraw/zinc/50/07/75/1092500775.db2.gz YCZXWGJLALXMHQ-LZWOXQAQSA-N 1 0 304.390 3.278 20 5 DGBDRO CC(C)[N@H+](CC(=O)c1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039297 1092501128 /nfs/dbraw/zinc/50/11/28/1092501128.db2.gz PKRHNCWSPRRSNA-HOCLYGCPSA-N 1 0 304.390 3.025 20 5 DGBDRO COc1c[nH+]ccc1Nc1cc2cccnc2c2ncccc12 ZINC001211263974 1093436430 /nfs/dbraw/zinc/43/64/30/1093436430.db2.gz QBLRBOYREQTJSW-UHFFFAOYSA-N 1 0 302.337 3.352 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H](CO)c1ccccc1 ZINC001119949163 1094318393 /nfs/dbraw/zinc/31/83/93/1094318393.db2.gz SXQMNZXAEYKCJX-CQSZACIVSA-N 1 0 320.776 3.114 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C[C@H]2F)cc1C(F)(F)F ZINC001217944165 1094522511 /nfs/dbraw/zinc/52/25/11/1094522511.db2.gz AMVRJHRMTULMLR-PWSUYJOCSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217947241 1094525495 /nfs/dbraw/zinc/52/54/95/1094525495.db2.gz QUDQAOOSHUGPOV-ZFWWWQNUSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C[C@H]2F)cc(C(F)(F)F)c1 ZINC001217947473 1094525753 /nfs/dbraw/zinc/52/57/53/1094525753.db2.gz KINMZVJUYCSDSP-NEPJUHHUSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C[C@@H]2F)cc(C(F)(F)F)c1 ZINC001217947476 1094525822 /nfs/dbraw/zinc/52/58/22/1094525822.db2.gz KINMZVJUYCSDSP-RYUDHWBXSA-N 1 0 322.258 3.083 20 5 DGBDRO F[C@H]1C[NH2+]CCC[C@H]1Oc1cccc2nc3ccccc3nc21 ZINC001217949220 1094527010 /nfs/dbraw/zinc/52/70/10/1094527010.db2.gz NBOWJIDYWCJMOS-BLLLJJGKSA-N 1 0 311.360 3.252 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217978836 1094539097 /nfs/dbraw/zinc/53/90/97/1094539097.db2.gz RHSWJVBZMCQWPT-GXSJLCMTSA-N 1 0 302.733 3.026 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2C[NH2+]CCC[C@H]2F)c(Cl)c1 ZINC001217980724 1094540289 /nfs/dbraw/zinc/54/02/89/1094540289.db2.gz MOJMZAVAILERDA-MNOVXSKESA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC[C@H]2F)c(Cl)c1Cl ZINC001217979830 1094540618 /nfs/dbraw/zinc/54/06/18/1094540618.db2.gz IHHJIRUEHVPJTG-XCBNKYQSSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@H](Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001218004681 1094552981 /nfs/dbraw/zinc/55/29/81/1094552981.db2.gz GDNXZQNYHAFFAF-VIFPVBQESA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]CC[C@@H]2F)c(Cl)cc1Cl ZINC001218012985 1094558385 /nfs/dbraw/zinc/55/83/85/1094558385.db2.gz NOTRGDHCFZBTSF-ONGXEEELSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]CC[C@H]2F)cc1C(F)(F)F ZINC001218014735 1094560805 /nfs/dbraw/zinc/56/08/05/1094560805.db2.gz YRABURHCMWYMAP-PWSUYJOCSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]CC[C@@H]2F)c2ccccc21 ZINC001218015273 1094561176 /nfs/dbraw/zinc/56/11/76/1094561176.db2.gz KSRJMXDGOYGZCO-BBRMVZONSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]CC[C@@H]2F)c2ccccc21 ZINC001218015276 1094561206 /nfs/dbraw/zinc/56/12/06/1094561206.db2.gz KSRJMXDGOYGZCO-XJKSGUPXSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CC[NH2+]CC[C@@H]1F ZINC001218015765 1094561220 /nfs/dbraw/zinc/56/12/20/1094561220.db2.gz MZFHWJLRVAHAFD-GXSJLCMTSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@@H]1C[C@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[NH2+]1 ZINC001218049023 1094577395 /nfs/dbraw/zinc/57/73/95/1094577395.db2.gz IRRHYCCDTKLGDF-HTQZYQBOSA-N 1 0 305.161 3.421 20 5 DGBDRO Oc1c2ccccc2c(O[C@H]2COC3(C[NH2+]C3)C2)c2ccccc12 ZINC001218057257 1094580384 /nfs/dbraw/zinc/58/03/84/1094580384.db2.gz AKTZEGCZUVWUPX-CYBMUJFWSA-N 1 0 321.376 3.208 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1CC[NH2+]C[C@@H]1F ZINC001218064590 1094582498 /nfs/dbraw/zinc/58/24/98/1094582498.db2.gz NDDKKIDUTFTFMV-HOCLYGCPSA-N 1 0 316.332 3.341 20 5 DGBDRO Cc1cc(O[C@@H]2CCC23CC[NH2+]CC3)c([N+](=O)[O-])cc1Cl ZINC001218084916 1094592820 /nfs/dbraw/zinc/59/28/20/1094592820.db2.gz KZXCTRLJYMLKHS-CQSZACIVSA-N 1 0 310.781 3.468 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c(Cl)cc1F ZINC001218092275 1094596343 /nfs/dbraw/zinc/59/63/43/1094596343.db2.gz QTZAISATCCXLDA-KBPBESRZSA-N 1 0 314.744 3.298 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(OC3CC4(C3)CC[NH2+]CC4)nc21 ZINC001218106143 1094606887 /nfs/dbraw/zinc/60/68/87/1094606887.db2.gz KJIRCHHOXAQBCV-UHFFFAOYSA-N 1 0 313.357 3.054 20 5 DGBDRO c1ccc2nc3cc(O[C@H]4CC[C@]45CC[NH2+]C5)ccc3nc2c1 ZINC001218115313 1094613971 /nfs/dbraw/zinc/61/39/71/1094613971.db2.gz FYHCBROGYYCZNY-RBUKOAKNSA-N 1 0 305.381 3.304 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@]23CC[NH2+]C3)c(Cl)cc1Cl ZINC001218118420 1094616687 /nfs/dbraw/zinc/61/66/87/1094616687.db2.gz VRNJDEIEWJUPDR-CHWSQXEVSA-N 1 0 317.172 3.423 20 5 DGBDRO c1ccc2nc3cc(O[C@@H]4CCC5(C[NH2+]C5)C4)ccc3nc2c1 ZINC001218235414 1094669748 /nfs/dbraw/zinc/66/97/48/1094669748.db2.gz QPBNACFFTOQHQU-CQSZACIVSA-N 1 0 305.381 3.304 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CCC3(C[NH2+]C3)C2)cc1Cl ZINC001218235766 1094670164 /nfs/dbraw/zinc/67/01/64/1094670164.db2.gz UCWNEKZSWCTUSI-MRVPVSSYSA-N 1 0 317.172 3.423 20 5 DGBDRO C[C@@H]1CC[C@@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218395566 1094748673 /nfs/dbraw/zinc/74/86/73/1094748673.db2.gz WVHCCXXDCIXVJK-PSASIEDQSA-N 1 0 304.268 3.133 20 5 DGBDRO C[C@H]1CC[C@@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218395568 1094749228 /nfs/dbraw/zinc/74/92/28/1094749228.db2.gz WVHCCXXDCIXVJK-WCBMZHEXSA-N 1 0 304.268 3.133 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc2c(c1)oc1ccccc1c2=O ZINC001218415735 1094763098 /nfs/dbraw/zinc/76/30/98/1094763098.db2.gz PWYGMCHFXLFFLS-LRDDRELGSA-N 1 0 309.365 3.323 20 5 DGBDRO Cc1cc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])s1 ZINC001336874530 1094768234 /nfs/dbraw/zinc/76/82/34/1094768234.db2.gz UJRPCDHEQDZHOK-YNEHKIRRSA-N 1 0 309.435 3.131 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001336886762 1094772728 /nfs/dbraw/zinc/77/27/28/1094772728.db2.gz ZTJSYLHSAVWDFH-UHFFFAOYSA-N 1 0 316.336 3.210 20 5 DGBDRO CC(C)(C)c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001218473485 1094797459 /nfs/dbraw/zinc/79/74/59/1094797459.db2.gz RARWMPLKRRGOAY-CORIIIEPSA-N 1 0 304.390 3.269 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(O[C@@H]2C[NH2+]Cc3ccccc32)cc1F ZINC001218491819 1094820589 /nfs/dbraw/zinc/82/05/89/1094820589.db2.gz WQUKSYPRVLUDPW-OAHLLOKOSA-N 1 0 306.268 3.096 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+]1C ZINC001337340971 1094939597 /nfs/dbraw/zinc/93/95/97/1094939597.db2.gz ZGRWICNJBKQSLG-VXGBXAGGSA-N 1 0 300.362 3.038 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001337406379 1094964540 /nfs/dbraw/zinc/96/45/40/1094964540.db2.gz BXMAUPJFQKIZSX-CABCVRRESA-N 1 0 304.390 3.486 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc([N+](=O)[O-])c(C)cn3)c2c1 ZINC001171166080 1095620124 /nfs/dbraw/zinc/62/01/24/1095620124.db2.gz BLNSAFMNVHTTTO-ZDUSSCGKSA-N 1 0 324.384 3.440 20 5 DGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncccc3[N+](=O)[O-])c2c1 ZINC001171168684 1095622807 /nfs/dbraw/zinc/62/28/07/1095622807.db2.gz VZZHVKZKIMYCAY-GFCCVEGCSA-N 1 0 310.357 3.132 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001116743380 1095646304 /nfs/dbraw/zinc/64/63/04/1095646304.db2.gz KCEJRYKDLCAHQW-NQKFPNJCSA-N 1 0 316.401 3.499 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc3c(c2)CCC3)cc1 ZINC001339534004 1095648864 /nfs/dbraw/zinc/64/88/64/1095648864.db2.gz KWDVCIACHXBVEG-UHFFFAOYSA-N 1 0 312.369 3.252 20 5 DGBDRO C[C@H](NC(=O)[C@@H]([NH3+])C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001339791559 1095732904 /nfs/dbraw/zinc/73/29/04/1095732904.db2.gz YNLGVKAUEJMCDV-LRDDRELGSA-N 1 0 319.405 3.070 20 5 DGBDRO C[C@@H](NC(=O)[C@H]([NH3+])C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001339791561 1095733217 /nfs/dbraw/zinc/73/32/17/1095733217.db2.gz YNLGVKAUEJMCDV-MLGOLLRUSA-N 1 0 319.405 3.070 20 5 DGBDRO C[C@H](O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC001223427110 1095966578 /nfs/dbraw/zinc/96/65/78/1095966578.db2.gz GVIOVDCWGLRWSY-MKVSYHDVSA-N 1 0 304.390 3.403 20 5 DGBDRO Cc1cc(NC2CC3(CC3(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001118600799 1096045464 /nfs/dbraw/zinc/04/54/64/1096045464.db2.gz PWHWCEZXWBHJNA-UHFFFAOYSA-N 1 0 319.311 3.473 20 5 DGBDRO C[C@H](O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC001224023817 1096117703 /nfs/dbraw/zinc/11/77/03/1096117703.db2.gz ZXRQRZHZKWCONP-MKVSYHDVSA-N 1 0 304.390 3.403 20 5 DGBDRO [NH3+]CCc1cc2ccccc2n1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001171305086 1096226139 /nfs/dbraw/zinc/22/61/39/1096226139.db2.gz POOFARRGEWNDBY-UHFFFAOYSA-N 1 0 317.295 3.318 20 5 DGBDRO CCc1cc2c(C)cc(=O)oc2cc1O[C@@H](C)C[N+](C)(C)C ZINC001225509385 1096453193 /nfs/dbraw/zinc/45/31/93/1096453193.db2.gz ZWZBFWGCNBWIRA-ZDUSSCGKSA-N 1 0 304.410 3.137 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC[C@@H]1CCCC[NH2+]1 ZINC001171341942 1096478297 /nfs/dbraw/zinc/47/82/97/1096478297.db2.gz ZZXJFXGUKAADEK-ZDUSSCGKSA-N 1 0 307.394 3.244 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Br)c2cccnc12 ZINC001225613878 1096482659 /nfs/dbraw/zinc/48/26/59/1096482659.db2.gz XCSLDJRSUMNJBZ-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC001225778034 1096528185 /nfs/dbraw/zinc/52/81/85/1096528185.db2.gz GTAIZXVZMGTCQU-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225778003 1096528388 /nfs/dbraw/zinc/52/83/88/1096528388.db2.gz FVBWBDGTCJHDPN-SNVBAGLBSA-N 1 0 300.305 3.125 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225954361 1096572754 /nfs/dbraw/zinc/57/27/54/1096572754.db2.gz VMICRKFEJKRWTL-LLVKDONJSA-N 1 0 318.295 3.477 20 5 DGBDRO Cc1ccnc(O[C@@H](CC[NH+](C)C)c2cccs2)c1[N+](=O)[O-] ZINC001226116039 1096616948 /nfs/dbraw/zinc/61/69/48/1096616948.db2.gz MPKUCCXZIPGSIC-LBPRGKRZSA-N 1 0 321.402 3.432 20 5 DGBDRO C[NH+](C)C1CCC(Oc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC001226188675 1096633201 /nfs/dbraw/zinc/63/32/01/1096633201.db2.gz DUXOGPIKJUTZCN-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([N+](=O)[O-])c(F)cc1Cl)C2 ZINC001226195443 1096634792 /nfs/dbraw/zinc/63/47/92/1096634792.db2.gz IFKLQRNJAYPINW-MYJAWHEDSA-N 1 0 314.744 3.391 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226301652 1096656251 /nfs/dbraw/zinc/65/62/51/1096656251.db2.gz NIWSTUPJXZXDGV-SNVBAGLBSA-N 1 0 304.268 3.087 20 5 DGBDRO C[NH+](C)CC[C@@H](Oc1ncc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001226750981 1096767181 /nfs/dbraw/zinc/76/71/81/1096767181.db2.gz BVKCYXCCLHURKM-OAHLLOKOSA-N 1 0 319.336 3.201 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1O[C@@H](CC[NH+](C)C)c1cccs1 ZINC001226761118 1096769942 /nfs/dbraw/zinc/76/99/42/1096769942.db2.gz FVPBGALMGDTYCZ-ZDUSSCGKSA-N 1 0 321.402 3.432 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226965420 1096830688 /nfs/dbraw/zinc/83/06/88/1096830688.db2.gz YUSVFIGCTPDRBZ-LLVKDONJSA-N 1 0 318.295 3.475 20 5 DGBDRO CCOC(=O)c1cc2ccccc2cc1O[C@@H](C)C[N+](C)(C)C ZINC001227213205 1096895554 /nfs/dbraw/zinc/89/55/54/1096895554.db2.gz SZTLZRHSGSTZKR-AWEZNQCLSA-N 1 0 316.421 3.490 20 5 DGBDRO Cc1cnc(O[C@H](CC[NH+](C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001227237193 1096902469 /nfs/dbraw/zinc/90/24/69/1096902469.db2.gz SDPMJAYFWJSTSG-MRXNPFEDSA-N 1 0 315.373 3.370 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(Br)cccc2n1 ZINC001227695118 1096970949 /nfs/dbraw/zinc/97/09/49/1096970949.db2.gz LPGMGDFOXNWTPR-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO C[NH+](C)CC[C@@H](Oc1cncc([N+](=O)[O-])c1)c1ccccc1 ZINC001227988293 1097025931 /nfs/dbraw/zinc/02/59/31/1097025931.db2.gz QLDGCQOUWPEGGM-MRXNPFEDSA-N 1 0 301.346 3.062 20 5 DGBDRO CCCC(=O)Nc1ccc(O[C@H](C)C[N+](C)(C)C)c(C(C)=O)c1 ZINC001228025244 1097035072 /nfs/dbraw/zinc/03/50/72/1097035072.db2.gz IBKWHZARYYDTTG-CYBMUJFWSA-O 1 0 321.441 3.101 20 5 DGBDRO COCCC[NH+]1CCC(Oc2c(C)cc(C)cc2[N+](=O)[O-])CC1 ZINC001228236931 1097079808 /nfs/dbraw/zinc/07/98/08/1097079808.db2.gz DDLZMHMTBXMYLE-UHFFFAOYSA-N 1 0 322.405 3.091 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(OCc2ccccc2)nc1 ZINC001228617172 1097152998 /nfs/dbraw/zinc/15/29/98/1097152998.db2.gz NVJZPLSFDWCNHP-HNNXBMFYSA-N 1 0 301.410 3.134 20 5 DGBDRO CC(=O)c1cccc(OC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001229139194 1097262864 /nfs/dbraw/zinc/26/28/64/1097262864.db2.gz VMRLTAPINNJDAI-UHFFFAOYSA-N 1 0 306.362 3.049 20 5 DGBDRO COc1ccc(-c2ccc(O[C@H](C)C[N+](C)(C)C)nc2)cc1 ZINC001229157952 1097266743 /nfs/dbraw/zinc/26/67/43/1097266743.db2.gz XXGWKHNVAQEAMB-CQSZACIVSA-N 1 0 301.410 3.231 20 5 DGBDRO [NH3+]Cc1cccc(N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172899235 1097267287 /nfs/dbraw/zinc/26/72/87/1097267287.db2.gz MTRZSFDVXVIYQZ-INIZCTEOSA-N 1 0 311.385 3.413 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cncc(F)c1)CC2 ZINC001172900016 1097267552 /nfs/dbraw/zinc/26/75/52/1097267552.db2.gz RHBMJVNDKGPDIR-INIZCTEOSA-N 1 0 315.348 3.166 20 5 DGBDRO CCCCN(C)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898645 1097267613 /nfs/dbraw/zinc/26/76/13/1097267613.db2.gz IGDDAAKZNJUVTG-QGZVFWFLSA-N 1 0 319.449 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1ccco1)CC2 ZINC001172900030 1097267839 /nfs/dbraw/zinc/26/78/39/1097267839.db2.gz RPSBPSLAICPCEQ-OAHLLOKOSA-N 1 0 300.358 3.268 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1(O)CCCCC1)CC2 ZINC001172907546 1097270419 /nfs/dbraw/zinc/27/04/19/1097270419.db2.gz SCPLIXBYGGEKRA-INIZCTEOSA-N 1 0 318.417 3.127 20 5 DGBDRO CO[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@H](C)C1 ZINC001172913647 1097278242 /nfs/dbraw/zinc/27/82/42/1097278242.db2.gz SXPUSUFEESMAJZ-RPVQJOFSSA-N 1 0 318.417 3.342 20 5 DGBDRO C[N@H+](C[C@@H]1CCCCO1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914144 1097278991 /nfs/dbraw/zinc/27/89/91/1097278991.db2.gz CZGYDBZMOKUIHY-WMZOPIPTSA-N 1 0 318.417 3.343 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCSC)c1F ZINC001173175322 1097355627 /nfs/dbraw/zinc/35/56/27/1097355627.db2.gz AEMQKPVPSULPKJ-SNVBAGLBSA-N 1 0 316.398 3.016 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CC(F)(F)C2)c1F ZINC001173174943 1097356352 /nfs/dbraw/zinc/35/63/52/1097356352.db2.gz GYELUZMQCUWYLP-MRVPVSSYSA-N 1 0 318.295 3.061 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)c2ccno2)c1F ZINC001173186355 1097357282 /nfs/dbraw/zinc/35/72/82/1097357282.db2.gz RLUOTFDJPRDVHG-UWVGGRQHSA-N 1 0 323.324 3.012 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)c2ccno2)c1F ZINC001173186356 1097358035 /nfs/dbraw/zinc/35/80/35/1097358035.db2.gz RLUOTFDJPRDVHG-VHSXEESVSA-N 1 0 323.324 3.012 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccoc2C)c1F ZINC001173190872 1097358070 /nfs/dbraw/zinc/35/80/70/1097358070.db2.gz ILFGLZLPYULMRM-SNVBAGLBSA-N 1 0 322.336 3.365 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1N(C)C ZINC001173215748 1097367930 /nfs/dbraw/zinc/36/79/30/1097367930.db2.gz ZHCBGTVGUDHHHJ-CQSZACIVSA-N 1 0 313.401 3.382 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1noc2ccccc21 ZINC001173219542 1097370459 /nfs/dbraw/zinc/37/04/59/1097370459.db2.gz CWRWDQBXDTZPOA-LBPRGKRZSA-N 1 0 311.341 3.457 20 5 DGBDRO CC(C)n1cnc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173220570 1097371118 /nfs/dbraw/zinc/37/11/18/1097371118.db2.gz CZTAMVJVFBYBAH-CYBMUJFWSA-N 1 0 302.378 3.093 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001173221490 1097371888 /nfs/dbraw/zinc/37/18/88/1097371888.db2.gz IVRSZAONGIXPCN-ZBFHGGJFSA-N 1 0 318.417 3.010 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001173225496 1097374687 /nfs/dbraw/zinc/37/46/87/1097374687.db2.gz COKBSJVSRUOFRF-CRAIPNDOSA-N 1 0 317.433 3.086 20 5 DGBDRO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227034 1097375080 /nfs/dbraw/zinc/37/50/80/1097375080.db2.gz MFQKQXYWWIJXOI-CJNGLKHVSA-N 1 0 306.406 3.415 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001173225761 1097375393 /nfs/dbraw/zinc/37/53/93/1097375393.db2.gz GAEUSAFSGVSQIV-PWSUYJOCSA-N 1 0 302.296 3.410 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(C1)CCOCC2 ZINC001173228357 1097375787 /nfs/dbraw/zinc/37/57/87/1097375787.db2.gz VIEBGCJFFKKNTM-AWEZNQCLSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001173227869 1097376139 /nfs/dbraw/zinc/37/61/39/1097376139.db2.gz SEYZHOMCCWVYMY-SUMWQHHRSA-N 1 0 312.373 3.153 20 5 DGBDRO CCN(CC[NH+](CC)CC)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227540 1097376359 /nfs/dbraw/zinc/37/63/59/1097376359.db2.gz QKSUBEGAFDYMBB-HNNXBMFYSA-N 1 0 307.438 3.190 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(N)cc2)CC1 ZINC001173230704 1097377390 /nfs/dbraw/zinc/37/73/90/1097377390.db2.gz ZRSKCHBIWYYHCC-CYBMUJFWSA-N 1 0 311.385 3.387 20 5 DGBDRO Cc1noc([C@@H]2CCC[N@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173233190 1097377830 /nfs/dbraw/zinc/37/78/30/1097377830.db2.gz JMNNKPLATJJXIV-ABAIWWIYSA-N 1 0 316.361 3.054 20 5 DGBDRO COc1cc(F)ccc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233900 1097378148 /nfs/dbraw/zinc/37/81/48/1097378148.db2.gz LARCAKGVJVZVPN-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO CCOCC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173234253 1097378569 /nfs/dbraw/zinc/37/85/69/1097378569.db2.gz QOHNPRVGWLSTBM-CQSZACIVSA-N 1 0 306.406 3.274 20 5 DGBDRO Cc1cccn2cc(C[NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)nc12 ZINC001173234078 1097378756 /nfs/dbraw/zinc/37/87/56/1097378756.db2.gz MCZYMPVGCRSVHT-CQSZACIVSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnc(Cl)s1 ZINC001173209161 1097380247 /nfs/dbraw/zinc/38/02/47/1097380247.db2.gz AFDLFJGPSPWMNW-VIFPVBQESA-N 1 0 311.794 3.426 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ncc2cccc(C[NH3+])c21 ZINC001173236239 1097380688 /nfs/dbraw/zinc/38/06/88/1097380688.db2.gz ZBRNPGHYPXHUQF-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc(Cl)c1 ZINC001173212290 1097381338 /nfs/dbraw/zinc/38/13/38/1097381338.db2.gz ZDTNWQGNUKHXMX-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)c1ccc(F)cc1 ZINC001173213135 1097381414 /nfs/dbraw/zinc/38/14/14/1097381414.db2.gz FPOBOHRATAVHQT-GFCCVEGCSA-N 1 0 316.332 3.137 20 5 DGBDRO Cc1ccn2c(C[NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)cnc2c1 ZINC001173210406 1097381650 /nfs/dbraw/zinc/38/16/50/1097381650.db2.gz KJQHITMFAKVYDQ-AWEZNQCLSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2cn(C)nc21 ZINC001173214654 1097382200 /nfs/dbraw/zinc/38/22/00/1097382200.db2.gz DIXZEAJRSQTGCT-CYBMUJFWSA-N 1 0 324.384 3.202 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229831055 1097394754 /nfs/dbraw/zinc/39/47/54/1097394754.db2.gz KSWXXQOLUTVPGT-GFCCVEGCSA-N 1 0 318.295 3.477 20 5 DGBDRO CC(=O)c1cc(OC(F)(F)F)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001229902176 1097409525 /nfs/dbraw/zinc/40/95/25/1097409525.db2.gz FADCAGZEJNZMNC-JTQLQIEISA-N 1 0 320.331 3.261 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2ccc(Cl)nc2[N+](=O)[O-])CC1 ZINC001230884060 1097614099 /nfs/dbraw/zinc/61/40/99/1097614099.db2.gz LJMJGDRWOJCYGX-UHFFFAOYSA-N 1 0 313.785 3.285 20 5 DGBDRO COC(=O)C[C@H](c1cccc(O[C@@H](C)C[N+](C)(C)C)c1)C1CC1 ZINC001230987977 1097639036 /nfs/dbraw/zinc/63/90/36/1097639036.db2.gz BHFMHNWIAQNXBZ-KSSFIOAISA-N 1 0 320.453 3.217 20 5 DGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001231055239 1097657016 /nfs/dbraw/zinc/65/70/16/1097657016.db2.gz AKPUIDHMZPETMY-HALDLXJZSA-N 1 0 304.390 3.321 20 5 DGBDRO Cc1cc(Nc2c(N)c3cccnc3c3ncccc32)cc[nH+]1 ZINC001174656058 1097805494 /nfs/dbraw/zinc/80/54/94/1097805494.db2.gz FBSULEDOSNCIOE-UHFFFAOYSA-N 1 0 301.353 3.234 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001175070291 1097937417 /nfs/dbraw/zinc/93/74/17/1097937417.db2.gz PYOIDWKHIRSQJZ-JCGIZDLHSA-N 1 0 317.433 3.238 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232221078 1097971902 /nfs/dbraw/zinc/97/19/02/1097971902.db2.gz FGSDPNSCEAHZMC-SFHVURJKSA-N 1 0 320.440 3.309 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@H]4OCC[C@H]4C3)nc12 ZINC001232225039 1097973716 /nfs/dbraw/zinc/97/37/16/1097973716.db2.gz MDZFWXPVXRREIG-FUHWJXTLSA-N 1 0 319.408 3.394 20 5 DGBDRO CC(=O)c1cc(O[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001233502405 1098354698 /nfs/dbraw/zinc/35/46/98/1098354698.db2.gz PJOSFWQFVXOVOZ-CQSZACIVSA-N 1 0 306.362 3.049 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)ccc(F)c1Br ZINC001233821613 1098437303 /nfs/dbraw/zinc/43/73/03/1098437303.db2.gz PSQZXZFUTQUFBB-MRVPVSSYSA-N 1 0 309.174 3.201 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2cc(F)c([N+](=O)[O-])c(F)c2)CC1 ZINC001233754415 1098422493 /nfs/dbraw/zinc/42/24/93/1098422493.db2.gz UKWBPGGHWCDDQH-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1c2cccnc2ccc1[N+](=O)[O-] ZINC001233778340 1098429622 /nfs/dbraw/zinc/42/96/22/1098429622.db2.gz IXEXLYPOCMAYBL-LBPRGKRZSA-N 1 0 303.362 3.252 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233787516 1098431377 /nfs/dbraw/zinc/43/13/77/1098431377.db2.gz YKDWPACTDJKTJK-ZDUSSCGKSA-N 1 0 315.373 3.395 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1ccnc([N+](=O)[O-])c1)c1ccccc1 ZINC001233856780 1098443695 /nfs/dbraw/zinc/44/36/95/1098443695.db2.gz GXVNQNNGQDIIGW-HNNXBMFYSA-N 1 0 301.346 3.062 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1-c1ccn(C)n1 ZINC001233880692 1098449273 /nfs/dbraw/zinc/44/92/73/1098449273.db2.gz WUFNQDXJEVPXIR-GFCCVEGCSA-N 1 0 308.833 3.214 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001233952005 1098465767 /nfs/dbraw/zinc/46/57/67/1098465767.db2.gz PTMSBPPOWHZMRS-AWEZNQCLSA-O 1 0 323.457 3.185 20 5 DGBDRO Cc1c(=O)oc2ccc(Cl)cc2c1O[C@@H](C)C[N+](C)(C)C ZINC001234040037 1098482706 /nfs/dbraw/zinc/48/27/06/1098482706.db2.gz VUQKQROGGQAALM-JTQLQIEISA-N 1 0 310.801 3.228 20 5 DGBDRO Cc1cc(F)c(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC001234059987 1098487268 /nfs/dbraw/zinc/48/72/68/1098487268.db2.gz MVBRCGGSVMUTPH-ATCWAGBWSA-N 1 0 308.353 3.151 20 5 DGBDRO C[NH+](C)CCCO[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001206296731 1098503091 /nfs/dbraw/zinc/50/30/91/1098503091.db2.gz PRXPARFOPULZDF-LBPRGKRZSA-N 1 0 306.284 3.167 20 5 DGBDRO C[NH+]1CCC(Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])CC1 ZINC001234364378 1098542595 /nfs/dbraw/zinc/54/25/95/1098542595.db2.gz RGFCLNLWMXJVHZ-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234675970 1098642915 /nfs/dbraw/zinc/64/29/15/1098642915.db2.gz GWQDCMWTZCAUOY-LBPRGKRZSA-N 1 0 301.346 3.006 20 5 DGBDRO Cc1ccc(CNC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC001177949463 1098666133 /nfs/dbraw/zinc/66/61/33/1098666133.db2.gz QXZPXTZWCVONKV-UHFFFAOYSA-N 1 0 317.433 3.400 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2CN1CCOCC12C[NH2+]C2 ZINC001235018061 1098753481 /nfs/dbraw/zinc/75/34/81/1098753481.db2.gz ZEBPEQBHXKYHJI-UHFFFAOYSA-N 1 0 318.420 3.167 20 5 DGBDRO COc1cc(C[NH2+]C[C@H]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC001179110851 1099020620 /nfs/dbraw/zinc/02/06/20/1099020620.db2.gz ODXVPGHBFMXCRT-ITGUQSILSA-N 1 0 322.405 3.471 20 5 DGBDRO C[C@H](C[NH2+]Cc1cnn2ccccc12)c1ccccc1[N+](=O)[O-] ZINC001179686563 1099163737 /nfs/dbraw/zinc/16/37/37/1099163737.db2.gz ZXNKWGUCBXPKBT-CYBMUJFWSA-N 1 0 310.357 3.136 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc3cnccc3o1)CC2 ZINC001180266767 1099362163 /nfs/dbraw/zinc/36/21/63/1099362163.db2.gz DBHXFLBNOFFZGH-UHFFFAOYSA-N 1 0 309.325 3.294 20 5 DGBDRO O=[N+]([O-])c1sccc1N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001187931587 1099637997 /nfs/dbraw/zinc/63/79/97/1099637997.db2.gz KJZYGENIFIIMNW-LBPRGKRZSA-N 1 0 323.805 3.461 20 5 DGBDRO CCC[N@H+](CC(C)C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001190643132 1100313260 /nfs/dbraw/zinc/31/32/60/1100313260.db2.gz JHZKYHCBZDDPLL-CYBMUJFWSA-N 1 0 307.394 3.290 20 5 DGBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1C ZINC001193607020 1100782665 /nfs/dbraw/zinc/78/26/65/1100782665.db2.gz RWUGGEZWVYBNHT-KBPBESRZSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1cccc([C@@H](O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001193743252 1100796467 /nfs/dbraw/zinc/79/64/67/1100796467.db2.gz LGOPSAMGDYLIEI-SFHVURJKSA-N 1 0 314.385 3.111 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001195037109 1101056305 /nfs/dbraw/zinc/05/63/05/1101056305.db2.gz LKWXGPVKLCGZJN-BLLLJJGKSA-N 1 0 319.405 3.480 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC001195316305 1101121270 /nfs/dbraw/zinc/12/12/70/1101121270.db2.gz ZPRHLJRTVXSYCJ-OAHLLOKOSA-N 1 0 322.430 3.321 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC001196606742 1101345672 /nfs/dbraw/zinc/34/56/72/1101345672.db2.gz WNCNJMJNIIZKLL-UHFFFAOYSA-N 1 0 320.389 3.248 20 5 DGBDRO c1nn(C2C[NH2+]C2)cc1-c1nc2ccccc2c2ccccc21 ZINC001241591567 1101567120 /nfs/dbraw/zinc/56/71/20/1101567120.db2.gz DGHJJVKOTNNCJH-UHFFFAOYSA-N 1 0 300.365 3.396 20 5 DGBDRO COC(=O)[C@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001197506143 1101586102 /nfs/dbraw/zinc/58/61/02/1101586102.db2.gz DPXAXHZPVHTRCR-YDHLFZDLSA-N 1 0 320.389 3.225 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC001200942485 1102454011 /nfs/dbraw/zinc/45/40/11/1102454011.db2.gz SMCMXJJPPSHDIT-DLBZAZTESA-N 1 0 322.405 3.024 20 5 DGBDRO Cc1c(CNCC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC001202243235 1102913759 /nfs/dbraw/zinc/91/37/59/1102913759.db2.gz SZUOHIIZKGVFDV-UHFFFAOYSA-N 1 0 305.422 3.115 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CC3CCC(O)CC3)C2)cc1 ZINC001327561368 1103681918 /nfs/dbraw/zinc/68/19/18/1103681918.db2.gz DELNJIHEAUSOBL-HQVVEAJESA-N 1 0 318.417 3.325 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC001327615663 1103693283 /nfs/dbraw/zinc/69/32/83/1103693283.db2.gz HHGOPBQYORIZDC-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[NH+](C)C1(C)CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC001329748210 1104379004 /nfs/dbraw/zinc/37/90/04/1104379004.db2.gz GXDALSYJZBQSCF-UHFFFAOYSA-N 1 0 318.421 3.238 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246616538 1104630164 /nfs/dbraw/zinc/63/01/64/1104630164.db2.gz WZCKIJDFMQWMLT-CRAIPNDOSA-N 1 0 317.433 3.134 20 5 DGBDRO CC[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254483679 1106079002 /nfs/dbraw/zinc/07/90/02/1106079002.db2.gz WENSMARFARZFNQ-CQSZACIVSA-N 1 0 303.406 3.296 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)c1ccc(F)cc1 ZINC001254536555 1106097623 /nfs/dbraw/zinc/09/76/23/1106097623.db2.gz PWXFUOMFWGMXQI-GFCCVEGCSA-N 1 0 316.332 3.137 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccc1Cl ZINC001254538379 1106098227 /nfs/dbraw/zinc/09/82/27/1106098227.db2.gz UCKMIYGDUQKPJW-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(O)c1 ZINC001254535448 1106098244 /nfs/dbraw/zinc/09/82/44/1106098244.db2.gz JYLQQZZOTDUJOY-ZDUSSCGKSA-N 1 0 300.358 3.064 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CC2CC2)CCOCC1 ZINC001254547093 1106100289 /nfs/dbraw/zinc/10/02/89/1106100289.db2.gz VGDUHIOAXBVTAZ-CQSZACIVSA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001254552265 1106102429 /nfs/dbraw/zinc/10/24/29/1106102429.db2.gz JRGAMSSDCBZPPK-YOEHRIQHSA-N 1 0 304.390 3.171 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(O)[C@@H](C)C1 ZINC001254552807 1106102626 /nfs/dbraw/zinc/10/26/26/1106102626.db2.gz PMLYCTPIEFEGQG-JJRVBVJISA-N 1 0 306.406 3.009 20 5 DGBDRO CCN(CC[NH+]1CCCCC1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254559575 1106103376 /nfs/dbraw/zinc/10/33/76/1106103376.db2.gz LAQFGAMGRRYWCP-MRXNPFEDSA-N 1 0 319.449 3.334 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCOC2)CC1 ZINC001254563898 1106103867 /nfs/dbraw/zinc/10/38/67/1106103867.db2.gz FZBDPKBORUFCBX-HNNXBMFYSA-N 1 0 318.417 3.418 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](CCO)Cc1cccs1 ZINC001254562349 1106103895 /nfs/dbraw/zinc/10/38/95/1106103895.db2.gz KTPMVASSIUXKRK-ZDUSSCGKSA-N 1 0 320.414 3.082 20 5 DGBDRO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560867 1106104264 /nfs/dbraw/zinc/10/42/64/1106104264.db2.gz YQTKUDAHIBJACS-CJNGLKHVSA-N 1 0 306.406 3.415 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@H+](C)CC12CCCC2 ZINC001254567404 1106104879 /nfs/dbraw/zinc/10/48/79/1106104879.db2.gz CVEHIESPONNMLV-OAHLLOKOSA-N 1 0 317.433 3.086 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCc1cccs1)C2 ZINC001254571665 1106105846 /nfs/dbraw/zinc/10/58/46/1106105846.db2.gz ACXBCBLSOYHACQ-AWEZNQCLSA-N 1 0 302.399 3.346 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1c(F)ccc(F)c1F)C2 ZINC001254571984 1106106627 /nfs/dbraw/zinc/10/66/27/1106106627.db2.gz FWVPPIHABZHGMS-LLVKDONJSA-N 1 0 322.286 3.269 20 5 DGBDRO Cc1ccc(F)cc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571983 1106106974 /nfs/dbraw/zinc/10/69/74/1106106974.db2.gz FWLIRRFDOHTNGE-MRXNPFEDSA-N 1 0 300.333 3.299 20 5 DGBDRO COc1cccc2c1CC[C@H]2[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579391 1106107764 /nfs/dbraw/zinc/10/77/64/1106107764.db2.gz RJGJOVMIEIPIBA-RDTXWAMCSA-N 1 0 324.380 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(Cc3ccccc3)CC1)C2 ZINC001254583837 1106108420 /nfs/dbraw/zinc/10/84/20/1106108420.db2.gz OHQLUQIYLQXRQU-KRWDZBQOSA-N 1 0 308.381 3.427 20 5 DGBDRO CC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc2C1 ZINC001254586915 1106108890 /nfs/dbraw/zinc/10/88/90/1106108890.db2.gz TVEQEHQVYQKUBP-QGZVFWFLSA-N 1 0 308.381 3.209 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(Cc3cccnc3)CC1)C2 ZINC001254585753 1106108974 /nfs/dbraw/zinc/10/89/74/1106108974.db2.gz FOTCTKVKXWXPLO-QGZVFWFLSA-N 1 0 323.396 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc3ncccc13)C2 ZINC001254585879 1106109300 /nfs/dbraw/zinc/10/93/00/1106109300.db2.gz YBRYZHSKQDJUGE-MRXNPFEDSA-N 1 0 319.364 3.400 20 5 DGBDRO CC(C)(Cc1cccnc1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589426 1106109916 /nfs/dbraw/zinc/10/99/16/1106109916.db2.gz OOSNSHUYRFNKHN-MRXNPFEDSA-N 1 0 311.385 3.068 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cncc3ccccc31)C2 ZINC001254589860 1106110036 /nfs/dbraw/zinc/11/00/36/1106110036.db2.gz SLJMCVZOVKHGCV-QGZVFWFLSA-N 1 0 319.364 3.400 20 5 DGBDRO Cc1ccc2c(c1)C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254600625 1106110919 /nfs/dbraw/zinc/11/09/19/1106110919.db2.gz TWPMMQYBFAKANO-IBGZPJMESA-N 1 0 308.381 3.429 20 5 DGBDRO C[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596714 1106110941 /nfs/dbraw/zinc/11/09/41/1106110941.db2.gz FLTRJKCXOOHOSM-XHDPSFHLSA-N 1 0 310.344 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCc3c(F)cccc3C1)C2 ZINC001254609824 1106112604 /nfs/dbraw/zinc/11/26/04/1106112604.db2.gz YXUXTEBJGCCBPV-INIZCTEOSA-N 1 0 312.344 3.259 20 5 DGBDRO Cc1ccc(NC(=O)c2ccc3c[nH+]cn3c2C)cc1[N+](=O)[O-] ZINC001320126906 1106889302 /nfs/dbraw/zinc/88/93/02/1106889302.db2.gz GGHBXXFLFZCUIU-UHFFFAOYSA-N 1 0 310.313 3.112 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001320643618 1107084214 /nfs/dbraw/zinc/08/42/14/1107084214.db2.gz QBLZSKZXARSSNM-IYOKYPSDSA-N 1 0 316.401 3.091 20 5 DGBDRO C[N@@H+](Cc1cc(F)cc(F)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001320814110 1107147795 /nfs/dbraw/zinc/14/77/95/1107147795.db2.gz MFDYFVZUMVNSIW-INIZCTEOSA-N 1 0 322.311 3.038 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001321751964 1107425816 /nfs/dbraw/zinc/42/58/16/1107425816.db2.gz MWMYPYYJPREAGH-GJZGRUSLSA-N 1 0 304.390 3.486 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N(C)C)cccc1[N+](=O)[O-] ZINC001319392917 1108444332 /nfs/dbraw/zinc/44/43/32/1108444332.db2.gz GPMYPXMGGPQYIQ-LXZKKBNFSA-N 1 0 305.422 3.427 20 5 DGBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC001319831897 1108655569 /nfs/dbraw/zinc/65/55/69/1108655569.db2.gz NRJHVOMQSNQKAQ-JWJUJFCLSA-N 1 0 320.389 3.318 20 5 DGBDRO CC(C)c1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001319947739 1108708784 /nfs/dbraw/zinc/70/87/84/1108708784.db2.gz LLGCWUOZLSGWHP-MRXNPFEDSA-N 1 0 317.433 3.388 20 5 DGBDRO CN(CC[NH+]1CCCC1)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001306961004 1111255254 /nfs/dbraw/zinc/25/52/54/1111255254.db2.gz SCDXJCNKUMCTNT-UHFFFAOYSA-N 1 0 318.204 3.434 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001306982710 1111257365 /nfs/dbraw/zinc/25/73/65/1111257365.db2.gz OIRJTRMBCMWWBB-UONOGXRCSA-N 1 0 318.421 3.153 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC001307612632 1111320379 /nfs/dbraw/zinc/32/03/79/1111320379.db2.gz ZGDNOZJZQSEYQZ-LBPRGKRZSA-N 1 0 314.341 3.232 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)cnn1C ZINC001307656747 1111324390 /nfs/dbraw/zinc/32/43/90/1111324390.db2.gz IEONNZIUDGGDAY-SECBINFHSA-N 1 0 308.769 3.141 20 5 DGBDRO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001307703584 1111330137 /nfs/dbraw/zinc/33/01/37/1111330137.db2.gz VUTNWVXNXLGLBQ-YNEHKIRRSA-N 1 0 305.378 3.042 20 5 DGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001307706763 1111330266 /nfs/dbraw/zinc/33/02/66/1111330266.db2.gz HLKJXTUXAQDQLY-DOMZBBRYSA-N 1 0 320.389 3.440 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC001307836123 1111344406 /nfs/dbraw/zinc/34/44/06/1111344406.db2.gz HRKNCWJGFIQOFZ-UHFFFAOYSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001308134907 1111382311 /nfs/dbraw/zinc/38/23/11/1111382311.db2.gz QJMIFGMOPBLUCD-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001308201921 1111396683 /nfs/dbraw/zinc/39/66/83/1111396683.db2.gz XEOMIROWSHDPDV-LSDHHAIUSA-N 1 0 305.422 3.256 20 5 DGBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001308299134 1111413126 /nfs/dbraw/zinc/41/31/26/1111413126.db2.gz YEXYWMHEKHKVGB-HLFMIMNKSA-N 1 0 324.446 3.073 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC001308419608 1111427326 /nfs/dbraw/zinc/42/73/26/1111427326.db2.gz ZAEWGAUUWYXZGY-INIZCTEOSA-N 1 0 320.433 3.490 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc3c(c2)CCO3)c(F)c1 ZINC001308684363 1111460565 /nfs/dbraw/zinc/46/05/65/1111460565.db2.gz DVDGDTVFUJHYOK-UHFFFAOYSA-N 1 0 316.332 3.001 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)[C@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC001308754287 1111471134 /nfs/dbraw/zinc/47/11/34/1111471134.db2.gz JBRHDHRTKULZIC-YPMHNXCESA-N 1 0 308.378 3.320 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC001308754284 1111471207 /nfs/dbraw/zinc/47/12/07/1111471207.db2.gz JBRHDHRTKULZIC-DGCLKSJQSA-N 1 0 308.378 3.320 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(CO)cc2)cc1Cl ZINC001308832793 1111481883 /nfs/dbraw/zinc/48/18/83/1111481883.db2.gz NLLDZJCNFOYFEZ-UHFFFAOYSA-N 1 0 306.749 3.030 20 5 DGBDRO CC[C@@]1(O)CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001308898553 1111490496 /nfs/dbraw/zinc/49/04/96/1111490496.db2.gz VWUPQDDULDGCER-IDKBZEPQSA-N 1 0 304.390 3.235 20 5 DGBDRO CC[C@@]1(O)CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001308898554 1111490514 /nfs/dbraw/zinc/49/05/14/1111490514.db2.gz VWUPQDDULDGCER-OOXMNIKJSA-N 1 0 304.390 3.235 20 5 DGBDRO Cc1cc(N[C@@H](C)CC[S@](C)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272874675 210264899 /nfs/dbraw/zinc/26/48/99/210264899.db2.gz UDCWKKXQHWVKNS-MGUXCZDKSA-N 1 0 321.402 3.020 20 5 DGBDRO Cn1cc(C[NH2+][C@@H]2CC=CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000076771270 185040028 /nfs/dbraw/zinc/04/00/28/185040028.db2.gz NPFOLNYUVJAJHS-OAHLLOKOSA-N 1 0 312.373 3.194 20 5 DGBDRO O=[N+]([O-])c1cccc2c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccnc21 ZINC000322148666 231208755 /nfs/dbraw/zinc/20/87/55/231208755.db2.gz KUGBRCBTTLGTRT-CHWSQXEVSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccnc21 ZINC000322585933 231212449 /nfs/dbraw/zinc/21/24/49/231212449.db2.gz ITQOFOYGHXCUDL-STQMWFEESA-N 1 0 312.373 3.182 20 5 DGBDRO CC[C@@H](CSC)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444690834 529527983 /nfs/dbraw/zinc/52/79/83/529527983.db2.gz VYWQTRNOAUOLPJ-JTQLQIEISA-N 1 0 308.407 3.045 20 5 DGBDRO CCc1ccccc1[C@@H]([NH3+])CNCc1csc([N+](=O)[O-])c1 ZINC000415063915 529611952 /nfs/dbraw/zinc/61/19/52/529611952.db2.gz JCVZDQZUPPXBSV-AWEZNQCLSA-N 1 0 305.403 3.008 20 5 DGBDRO Cc1nccn1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278206736 214023949 /nfs/dbraw/zinc/02/39/49/214023949.db2.gz HECQLWLWBAHMFW-KRWDZBQOSA-N 1 0 314.389 3.157 20 5 DGBDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000090529647 185300832 /nfs/dbraw/zinc/30/08/32/185300832.db2.gz PNSAYXWCRWNKRU-MFKMUULPSA-N 1 0 302.378 3.217 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(CCOC)CC2)cc1[N+](=O)[O-] ZINC000090536012 185301350 /nfs/dbraw/zinc/30/13/50/185301350.db2.gz GVOVONHMBUQKEY-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@@H](C)O ZINC000279096262 214633060 /nfs/dbraw/zinc/63/30/60/214633060.db2.gz NXJKZVNWWHEMHQ-OLZOCXBDSA-N 1 0 312.435 3.216 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(O)cc(F)c1 ZINC000348674959 529935364 /nfs/dbraw/zinc/93/53/64/529935364.db2.gz PAGGAQJRCFROJV-UHFFFAOYSA-N 1 0 304.321 3.114 20 5 DGBDRO C[NH2+]CCCN(C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000424024663 529964216 /nfs/dbraw/zinc/96/42/16/529964216.db2.gz XKVCVDAHISKBQL-UHFFFAOYSA-N 1 0 307.397 3.070 20 5 DGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCOC1 ZINC000292821808 529980130 /nfs/dbraw/zinc/98/01/30/529980130.db2.gz OAQDNVHIVTYLLN-JTQLQIEISA-N 1 0 318.295 3.082 20 5 DGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCOC1 ZINC000292821815 529980173 /nfs/dbraw/zinc/98/01/73/529980173.db2.gz OAQDNVHIVTYLLN-SNVBAGLBSA-N 1 0 318.295 3.082 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000129920993 432010943 /nfs/dbraw/zinc/01/09/43/432010943.db2.gz OEZMTDWKMVNHDH-KQIUPUNMSA-N 1 0 302.374 3.109 20 5 DGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286764707 219155263 /nfs/dbraw/zinc/15/52/63/219155263.db2.gz GCPKZSDQGGHSRX-SWLSCSKDSA-N 1 0 323.824 3.307 20 5 DGBDRO CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130135811 432016215 /nfs/dbraw/zinc/01/62/15/432016215.db2.gz MJASUPVLHOLSKR-UNEWFSDZSA-N 1 0 306.406 3.057 20 5 DGBDRO CC[C@@H](c1ccncc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000130120905 432016498 /nfs/dbraw/zinc/01/64/98/432016498.db2.gz YORMHVFCOJUZLN-KRWDZBQOSA-N 1 0 315.373 3.452 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000286904520 219218879 /nfs/dbraw/zinc/21/88/79/219218879.db2.gz DRHMFRLWAFRCSX-NVXWUHKLSA-N 1 0 316.401 3.242 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](CC(C)C)[NH+](C)C ZINC000080544045 192166067 /nfs/dbraw/zinc/16/60/67/192166067.db2.gz NPCVVJITOSSRDB-OAHLLOKOSA-N 1 0 309.410 3.129 20 5 DGBDRO Cc1ccnc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301306957 229619615 /nfs/dbraw/zinc/61/96/15/229619615.db2.gz VJEKBRYXKAHQRD-MLGOLLRUSA-N 1 0 306.410 3.221 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000279959751 215272249 /nfs/dbraw/zinc/27/22/49/215272249.db2.gz YHRYVGDFHCBNJF-DZGCQCFKSA-N 1 0 322.405 3.119 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCCOC1 ZINC000287154010 219346624 /nfs/dbraw/zinc/34/66/24/219346624.db2.gz SVUWCERKJHUJDM-CQSZACIVSA-N 1 0 322.430 3.402 20 5 DGBDRO CC1(C)CCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000191854008 186264692 /nfs/dbraw/zinc/26/46/92/186264692.db2.gz YRXJSQOIWHATIT-AWEZNQCLSA-N 1 0 323.368 3.231 20 5 DGBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000237489816 186296624 /nfs/dbraw/zinc/29/66/24/186296624.db2.gz DPYMYPLZPRGSMR-CYBMUJFWSA-N 1 0 300.358 3.411 20 5 DGBDRO Cc1ccnc(NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000265154990 186342859 /nfs/dbraw/zinc/34/28/59/186342859.db2.gz CGYRYJDNFHGKSG-NSHDSACASA-N 1 0 306.391 3.075 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000266844985 186356875 /nfs/dbraw/zinc/35/68/75/186356875.db2.gz HRGCGCUGEVZASW-DYVFJYSZSA-N 1 0 300.358 3.287 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000268758612 186381486 /nfs/dbraw/zinc/38/14/86/186381486.db2.gz MNMOUHCFEMAMIN-ZBEGNZNMSA-N 1 0 304.321 3.118 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCSC1 ZINC000288413405 186594400 /nfs/dbraw/zinc/59/44/00/186594400.db2.gz JCNZZHQHYUYYLF-JTQLQIEISA-N 1 0 300.811 3.481 20 5 DGBDRO C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173458976 198217101 /nfs/dbraw/zinc/21/71/01/198217101.db2.gz JYCDVPGFTDVKGQ-LBPRGKRZSA-N 1 0 308.378 3.367 20 5 DGBDRO CCC(O)(CC)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000471801339 535216189 /nfs/dbraw/zinc/21/61/89/535216189.db2.gz WTQDWJQGDSFTFS-CQSZACIVSA-N 1 0 308.422 3.447 20 5 DGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1cccc(Cl)c1 ZINC000174724920 198376234 /nfs/dbraw/zinc/37/62/34/198376234.db2.gz PTNQJBTXRZMWJZ-INIZCTEOSA-N 1 0 320.776 3.414 20 5 DGBDRO Cc1c([C@H](C)NC[C@@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000165302569 432055203 /nfs/dbraw/zinc/05/52/03/432055203.db2.gz VNZGFGHVIVESBT-HIFRSBDPSA-N 1 0 305.422 3.286 20 5 DGBDRO COc1cc(C[N@H+](CC(C)C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000179703036 432068133 /nfs/dbraw/zinc/06/81/33/432068133.db2.gz YKSSCPUWTVABBA-UHFFFAOYSA-N 1 0 310.394 3.478 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000179398562 199028240 /nfs/dbraw/zinc/02/82/40/199028240.db2.gz PKYTXIOWPRDTFN-CYBMUJFWSA-N 1 0 316.357 3.466 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000179404563 199029982 /nfs/dbraw/zinc/02/99/82/199029982.db2.gz DLOXITRVAFDGSL-STQMWFEESA-N 1 0 308.378 3.071 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000179404556 199029985 /nfs/dbraw/zinc/02/99/85/199029985.db2.gz DLOXITRVAFDGSL-OLZOCXBDSA-N 1 0 308.378 3.071 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000276689959 213049150 /nfs/dbraw/zinc/04/91/50/213049150.db2.gz UOARDRYLTXQGNN-MCIONIFRSA-N 1 0 324.446 3.216 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000237318001 202229755 /nfs/dbraw/zinc/22/97/55/202229755.db2.gz BZWQJXWCKRQOAA-CQSZACIVSA-N 1 0 314.341 3.217 20 5 DGBDRO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180413119 199155058 /nfs/dbraw/zinc/15/50/58/199155058.db2.gz FSUWHIHNQVFJKH-HIFRSBDPSA-N 1 0 319.405 3.037 20 5 DGBDRO COCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237354225 202240924 /nfs/dbraw/zinc/24/09/24/202240924.db2.gz HAKYUDYXALEVCZ-UHFFFAOYSA-N 1 0 310.737 3.244 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000449156929 535415760 /nfs/dbraw/zinc/41/57/60/535415760.db2.gz UCRARKOOJYDPGK-KBRIMQKVSA-N 1 0 318.417 3.463 20 5 DGBDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000134469221 432077096 /nfs/dbraw/zinc/07/70/96/432077096.db2.gz RIHRBFKCNLYLGM-QGZVFWFLSA-N 1 0 318.373 3.496 20 5 DGBDRO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000280948953 215984864 /nfs/dbraw/zinc/98/48/64/215984864.db2.gz JJLKYTXSHKPTHB-SWLSCSKDSA-N 1 0 300.362 3.093 20 5 DGBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000238046402 283480860 /nfs/dbraw/zinc/48/08/60/283480860.db2.gz FNUBAXVJXBSVQH-KBXCAEBGSA-N 1 0 319.408 3.245 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000188244573 200215347 /nfs/dbraw/zinc/21/53/47/200215347.db2.gz BDYMLPLKYZDHKU-HNSSHINMSA-N 1 0 316.401 3.499 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CC[C@@H](O)C3)o2)c1 ZINC000188843667 200311495 /nfs/dbraw/zinc/31/14/95/200311495.db2.gz MWRHFVWKZROSGJ-IUODEOHRSA-N 1 0 316.357 3.105 20 5 DGBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000189109229 200350021 /nfs/dbraw/zinc/35/00/21/200350021.db2.gz FCVGWWXZBBTBGX-RYUDHWBXSA-N 1 0 304.346 3.368 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CSC)C1 ZINC000429291650 238046637 /nfs/dbraw/zinc/04/66/37/238046637.db2.gz HFBUYXVFNKQTBV-GFCCVEGCSA-N 1 0 310.419 3.178 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000430129899 238068044 /nfs/dbraw/zinc/06/80/44/238068044.db2.gz VOUSUUWIWZZOMQ-DDUZABMNSA-N 1 0 317.433 3.065 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[C@@H](C)C1 ZINC000430244333 238072686 /nfs/dbraw/zinc/07/26/86/238072686.db2.gz PBKKYTHMEFOIKK-HIFRSBDPSA-N 1 0 322.405 3.240 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000432320656 238125237 /nfs/dbraw/zinc/12/52/37/238125237.db2.gz ALSIVSJIPFKHST-RYUDHWBXSA-N 1 0 312.373 3.180 20 5 DGBDRO C[C@H](O)CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000433081296 238146299 /nfs/dbraw/zinc/14/62/99/238146299.db2.gz GNZGZWARKJGVJR-KBXCAEBGSA-N 1 0 314.385 3.435 20 5 DGBDRO C[C@H](C[NH3+])N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435389244 238298036 /nfs/dbraw/zinc/29/80/36/238298036.db2.gz LNCXRLNOOFKAGD-LLVKDONJSA-N 1 0 305.403 3.102 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)c(Cl)c1 ZINC000292670412 223193790 /nfs/dbraw/zinc/19/37/90/223193790.db2.gz JCZLNCTYOMFMIW-CQSZACIVSA-N 1 0 310.781 3.128 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000292656535 223187396 /nfs/dbraw/zinc/18/73/96/223187396.db2.gz IHHNRLBITQKQMK-AWEZNQCLSA-N 1 0 310.781 3.128 20 5 DGBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000292730372 223221252 /nfs/dbraw/zinc/22/12/52/223221252.db2.gz GFGGNMWSPRHKLS-WFASDCNBSA-N 1 0 316.357 3.200 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)CCC2 ZINC000193319089 201027745 /nfs/dbraw/zinc/02/77/45/201027745.db2.gz YQHMBQSDNUWXKG-KBRIMQKVSA-N 1 0 304.390 3.113 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCCCNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193386746 201043091 /nfs/dbraw/zinc/04/30/91/201043091.db2.gz RKMNOLVMXOADAR-CYBMUJFWSA-N 1 0 306.410 3.101 20 5 DGBDRO C[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194009892 201161650 /nfs/dbraw/zinc/16/16/50/201161650.db2.gz MTJOGCHRRSRGFE-UHFFFAOYSA-N 1 0 321.358 3.239 20 5 DGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ncc([N+](=O)[O-])s1 ZINC000195512985 201396935 /nfs/dbraw/zinc/39/69/35/201396935.db2.gz IUNVAXNPXDHAGZ-UHFFFAOYSA-N 1 0 320.418 3.139 20 5 DGBDRO CCC[C@H]([NH2+]CCCNC(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090880544 192940363 /nfs/dbraw/zinc/94/03/63/192940363.db2.gz HVXASLZPLBSUJC-INIZCTEOSA-N 1 0 321.421 3.188 20 5 DGBDRO C[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000072563190 283752232 /nfs/dbraw/zinc/75/22/32/283752232.db2.gz FDKDCSDLWREDNQ-OAHLLOKOSA-N 1 0 311.385 3.478 20 5 DGBDRO CC(C)[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275479942 212360244 /nfs/dbraw/zinc/36/02/44/212360244.db2.gz NLPUPDLBJYCKAJ-NSHDSACASA-N 1 0 311.357 3.039 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccccc1O ZINC000449111184 240022688 /nfs/dbraw/zinc/02/26/88/240022688.db2.gz JRYNPXGTSZWYRV-ZDUSSCGKSA-N 1 0 300.358 3.064 20 5 DGBDRO Cc1nccn1CCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449160613 240044019 /nfs/dbraw/zinc/04/40/19/240044019.db2.gz CAYPINDBCPCMQB-CQSZACIVSA-N 1 0 316.405 3.101 20 5 DGBDRO CCc1nc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449122970 240027998 /nfs/dbraw/zinc/02/79/98/240027998.db2.gz MTDOGPBGTXUTQS-LLVKDONJSA-N 1 0 305.403 3.335 20 5 DGBDRO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449133399 240032958 /nfs/dbraw/zinc/03/29/58/240032958.db2.gz YHTMOISIRQVIAU-HOCLYGCPSA-N 1 0 307.438 3.092 20 5 DGBDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449175691 240053381 /nfs/dbraw/zinc/05/33/81/240053381.db2.gz RDXLHQAEUPCBRY-TZMCWYRMSA-N 1 0 320.414 3.219 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000449192594 240060675 /nfs/dbraw/zinc/06/06/75/240060675.db2.gz YVPLNTMWJUDRBA-MMTVNHQJSA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000449197168 240061469 /nfs/dbraw/zinc/06/14/69/240061469.db2.gz UUDLFAXBGQBNOE-RKVPGOIHSA-N 1 0 320.433 3.447 20 5 DGBDRO COc1cc(F)cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449209029 240068198 /nfs/dbraw/zinc/06/81/98/240068198.db2.gz FMEYJUFFCSOTLC-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1nccs1 ZINC000449237820 240085564 /nfs/dbraw/zinc/08/55/64/240085564.db2.gz PBEXJXDYMILPMR-VXGBXAGGSA-N 1 0 305.403 3.376 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1N(C)C ZINC000449225479 240078364 /nfs/dbraw/zinc/07/83/64/240078364.db2.gz OQHXLSROZQHSGJ-AWEZNQCLSA-N 1 0 313.401 3.382 20 5 DGBDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000449349540 240150258 /nfs/dbraw/zinc/15/02/58/240150258.db2.gz QNIDEPIKUKBNQF-ZDUSSCGKSA-N 1 0 314.389 3.297 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cnn1C ZINC000449503558 240250282 /nfs/dbraw/zinc/25/02/82/240250282.db2.gz UHOJBIRDUIMSJN-HNNXBMFYSA-N 1 0 314.389 3.016 20 5 DGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000449581839 240304559 /nfs/dbraw/zinc/30/45/59/240304559.db2.gz CETNNYDBRFCAAS-VIHMKRCTSA-N 1 0 306.406 3.337 20 5 DGBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000449515360 240261698 /nfs/dbraw/zinc/26/16/98/240261698.db2.gz YVHMIQIPUTXJOM-GDBMZVCRSA-N 1 0 312.385 3.113 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000449620129 240323201 /nfs/dbraw/zinc/32/32/01/240323201.db2.gz SNGWTGYEWSWITJ-ZGUWOUCSSA-N 1 0 318.417 3.481 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@H]1CCOC1 ZINC000449690678 240372650 /nfs/dbraw/zinc/37/26/50/240372650.db2.gz QVSYYCNYBYUGEU-IPJDOKCGSA-N 1 0 304.390 3.404 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(C)(C)O ZINC000449717217 240379970 /nfs/dbraw/zinc/37/99/70/240379970.db2.gz DPXJUPYCLGOZKL-CYBMUJFWSA-N 1 0 308.422 3.303 20 5 DGBDRO COCC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000449740295 240393580 /nfs/dbraw/zinc/39/35/80/240393580.db2.gz FSKGUGMDKCTVNJ-CQSZACIVSA-N 1 0 306.406 3.322 20 5 DGBDRO C[C@](CO)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000077656461 283853642 /nfs/dbraw/zinc/85/36/42/283853642.db2.gz RZDQDPFMLAQGEK-QGZVFWFLSA-N 1 0 306.406 3.058 20 5 DGBDRO C[C@H](c1ccccn1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000091703598 193094009 /nfs/dbraw/zinc/09/40/09/193094009.db2.gz KAPSOEKNAPGWFW-CYBMUJFWSA-N 1 0 301.346 3.062 20 5 DGBDRO C[C@H]([NH2+]CCCO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000451103447 241004895 /nfs/dbraw/zinc/00/48/95/241004895.db2.gz NWEDXLYRHBZJJI-XJKSGUPXSA-N 1 0 308.378 3.179 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC12CCCC2 ZINC000451451896 241127887 /nfs/dbraw/zinc/12/78/87/241127887.db2.gz BSDIQZFFEIUBHV-HNNXBMFYSA-N 1 0 317.389 3.154 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000271786609 209214179 /nfs/dbraw/zinc/21/41/79/209214179.db2.gz WEBLFNFOLPAJNL-JKSUJKDBSA-N 1 0 320.389 3.321 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000271786602 209214110 /nfs/dbraw/zinc/21/41/10/209214110.db2.gz WEBLFNFOLPAJNL-CVEARBPZSA-N 1 0 320.389 3.321 20 5 DGBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135328598 432112266 /nfs/dbraw/zinc/11/22/66/432112266.db2.gz GWMKRKJBBZIFNC-IUODEOHRSA-N 1 0 319.405 3.094 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000092756820 284007759 /nfs/dbraw/zinc/00/77/59/284007759.db2.gz BUFRLYAMIMFOAQ-INIZCTEOSA-N 1 0 317.433 3.388 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000337558377 299382369 /nfs/dbraw/zinc/38/23/69/299382369.db2.gz SRDOYTADSYUGJH-UFGOTCBOSA-N 1 0 300.305 3.406 20 5 DGBDRO CCC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000459812512 243510418 /nfs/dbraw/zinc/51/04/18/243510418.db2.gz VTORTGSHIRVZBL-INIZCTEOSA-N 1 0 319.405 3.400 20 5 DGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000466931582 243957331 /nfs/dbraw/zinc/95/73/31/243957331.db2.gz XCKAUAWHMBJQKG-CHWSQXEVSA-N 1 0 308.378 3.103 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000282178729 216801075 /nfs/dbraw/zinc/80/10/75/216801075.db2.gz FMHKKEKCGGMVBJ-AWEZNQCLSA-N 1 0 321.380 3.376 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468628400 244056014 /nfs/dbraw/zinc/05/60/14/244056014.db2.gz DZSGLCYUVYSMDT-DVDPIYLGSA-N 1 0 306.406 3.385 20 5 DGBDRO CC[C@H](C)N(C)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468647974 244059045 /nfs/dbraw/zinc/05/90/45/244059045.db2.gz IDNAVYREGIBAAE-GOFCXVBSSA-N 1 0 305.422 3.318 20 5 DGBDRO COCC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470175598 244152043 /nfs/dbraw/zinc/15/20/43/244152043.db2.gz QZNIYYPZDBZWIY-UVTDQMKNSA-N 1 0 304.390 3.357 20 5 DGBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000472299701 244296331 /nfs/dbraw/zinc/29/63/31/244296331.db2.gz VNJMLXNCQBPZRI-GFCCVEGCSA-N 1 0 308.378 3.103 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@@H]4CCC[C@H]43)o2)c1 ZINC000472562113 244308489 /nfs/dbraw/zinc/30/84/89/244308489.db2.gz HBXZLDLABHURQY-DZGCQCFKSA-N 1 0 313.357 3.277 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119289999 284139782 /nfs/dbraw/zinc/13/97/82/284139782.db2.gz GVVXTLABVORGLX-LBPRGKRZSA-N 1 0 311.813 3.022 20 5 DGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119307772 284140110 /nfs/dbraw/zinc/14/01/10/284140110.db2.gz ASCAPSKIIBLBKX-OLZOCXBDSA-N 1 0 323.824 3.307 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000119359907 284141585 /nfs/dbraw/zinc/14/15/85/284141585.db2.gz NKUJGQYPMXWKQL-DOMZBBRYSA-N 1 0 323.824 3.164 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000093214208 193217547 /nfs/dbraw/zinc/21/75/47/193217547.db2.gz NYPROXHBYNDNLC-ZJUUUORDSA-N 1 0 314.183 3.039 20 5 DGBDRO CCOCC[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000093317120 193229992 /nfs/dbraw/zinc/22/99/92/193229992.db2.gz PTLWFILCZAJALC-UHFFFAOYSA-N 1 0 311.381 3.415 20 5 DGBDRO Cc1ccsc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534406 193266870 /nfs/dbraw/zinc/26/68/70/193266870.db2.gz KHCBLMAYYFJDPB-GFCCVEGCSA-N 1 0 318.402 3.046 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597136 193272745 /nfs/dbraw/zinc/27/27/45/193272745.db2.gz PDHZADZMBHZKCB-YERXGYGTSA-N 1 0 315.417 3.026 20 5 DGBDRO Cc1ccc(C[N@H+](C)CCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000093686597 193289871 /nfs/dbraw/zinc/28/98/71/193289871.db2.gz FZXYYRIOLPKPSH-UHFFFAOYSA-N 1 0 308.378 3.067 20 5 DGBDRO CCC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000120837647 284179685 /nfs/dbraw/zinc/17/96/85/284179685.db2.gz MCEOOPCCUDAAKH-CQSZACIVSA-N 1 0 319.405 3.436 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2scnc2C2CC2)cc1 ZINC000487299422 245047625 /nfs/dbraw/zinc/04/76/25/245047625.db2.gz LSDUENODSHRXNE-UHFFFAOYSA-N 1 0 303.387 3.261 20 5 DGBDRO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C ZINC000488062778 245140800 /nfs/dbraw/zinc/14/08/00/245140800.db2.gz OTCVHTXPPZYQFR-DZGCQCFKSA-N 1 0 322.405 3.240 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000488435896 245192125 /nfs/dbraw/zinc/19/21/25/245192125.db2.gz SQOVFJMAFBJAHR-IUODEOHRSA-N 1 0 310.419 3.223 20 5 DGBDRO C[C@H](NCCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000125884943 284286997 /nfs/dbraw/zinc/28/69/97/284286997.db2.gz OMRFONMHTOWGRB-HNNXBMFYSA-N 1 0 305.422 3.367 20 5 DGBDRO COCCN(Cc1ccc(C)o1)Cc1cccc([N+](=O)[O-])c1C ZINC000125877273 284287134 /nfs/dbraw/zinc/28/71/34/284287134.db2.gz MYRYPSJIXANFJM-UHFFFAOYSA-N 1 0 318.373 3.453 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)cccc1[N+](=O)[O-] ZINC000271737800 209168991 /nfs/dbraw/zinc/16/89/91/209168991.db2.gz PURVZYCUFMBOHJ-KBPBESRZSA-N 1 0 320.389 3.240 20 5 DGBDRO C[C@H]([NH2+]CCCNc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293607261 223617555 /nfs/dbraw/zinc/61/75/55/223617555.db2.gz GJDGICGRJBHHMY-ZDUSSCGKSA-N 1 0 314.389 3.330 20 5 DGBDRO Cc1c(CN2CC[NH2+]C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000313369114 291541687 /nfs/dbraw/zinc/54/16/87/291541687.db2.gz RMMXPJAFMPRKKY-GOSISDBHSA-N 1 0 311.385 3.050 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000015467195 182004016 /nfs/dbraw/zinc/00/40/16/182004016.db2.gz URBQVTXLUZTKRD-BETUJISGSA-N 1 0 305.378 3.105 20 5 DGBDRO COc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000127961798 284358980 /nfs/dbraw/zinc/35/89/80/284358980.db2.gz SPZPROCFIRCRDD-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO CC[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000181446441 432129386 /nfs/dbraw/zinc/12/93/86/432129386.db2.gz CPDJTCOGFWPXJI-CYBMUJFWSA-N 1 0 301.346 3.067 20 5 DGBDRO CCOCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181488546 432131816 /nfs/dbraw/zinc/13/18/16/432131816.db2.gz WMAQNGJCWXELHG-UHFFFAOYSA-N 1 0 304.346 3.323 20 5 DGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000267429178 206061998 /nfs/dbraw/zinc/06/19/98/206061998.db2.gz MCVFRLUZJOIFCE-LBPRGKRZSA-N 1 0 315.329 3.396 20 5 DGBDRO CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000023991630 182371379 /nfs/dbraw/zinc/37/13/79/182371379.db2.gz GEKAQNRADJBURB-SNVBAGLBSA-N 1 0 313.785 3.307 20 5 DGBDRO C[C@H]([N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000283344978 217570291 /nfs/dbraw/zinc/57/02/91/217570291.db2.gz QOHSNWQETXZCMK-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)C2(C)CC2)cccc1[N+](=O)[O-] ZINC000267798265 206289555 /nfs/dbraw/zinc/28/95/55/206289555.db2.gz XOQLLPKVZWHUDU-ZDUSSCGKSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268853653 432144947 /nfs/dbraw/zinc/14/49/47/432144947.db2.gz QKKRRGZIVJOEHC-MNOVXSKESA-N 1 0 306.387 3.355 20 5 DGBDRO C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284946859 218245315 /nfs/dbraw/zinc/24/53/15/218245315.db2.gz FALCTHQPUQPVHK-TZMCWYRMSA-N 1 0 307.394 3.177 20 5 DGBDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)sc1C ZINC000284943515 218244349 /nfs/dbraw/zinc/24/43/49/218244349.db2.gz DWAKYQZWFQICCL-JTQLQIEISA-N 1 0 320.418 3.144 20 5 DGBDRO CCOCCC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000285162349 218314828 /nfs/dbraw/zinc/31/48/28/218314828.db2.gz MPHVZYDMMUTVEI-ZDUSSCGKSA-N 1 0 321.421 3.425 20 5 DGBDRO Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000285211109 218334907 /nfs/dbraw/zinc/33/49/07/218334907.db2.gz ONFLZDPZSOCHLA-KOLCDFICSA-N 1 0 320.418 3.396 20 5 DGBDRO COCC[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245547075 284823243 /nfs/dbraw/zinc/82/32/43/284823243.db2.gz NIUHCCQEFBCXTB-DZKIICNBSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H](c1cccc(O)c1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000109781047 194285522 /nfs/dbraw/zinc/28/55/22/194285522.db2.gz XRLJZUQKVAXZBE-CYBMUJFWSA-N 1 0 316.357 3.372 20 5 DGBDRO CC(C)n1cc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000268908682 207076913 /nfs/dbraw/zinc/07/69/13/207076913.db2.gz FKCLIOZYXNLNPB-ZDUSSCGKSA-N 1 0 302.378 3.266 20 5 DGBDRO CCC[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268953038 207116895 /nfs/dbraw/zinc/11/68/95/207116895.db2.gz VYCGPFKFXFLJPZ-OAHLLOKOSA-N 1 0 319.405 3.071 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000268985228 207143577 /nfs/dbraw/zinc/14/35/77/207143577.db2.gz LMGMFBYRWBBJOU-IUODEOHRSA-N 1 0 304.346 3.189 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000269052427 207199714 /nfs/dbraw/zinc/19/97/14/207199714.db2.gz IKUIHBBHCORULW-UYHISHBKSA-N 1 0 312.369 3.212 20 5 DGBDRO CSC[C@@H](CCO)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313334 295612425 /nfs/dbraw/zinc/61/24/25/295612425.db2.gz PCIFMFQPVJNYAD-CJNGLKHVSA-N 1 0 324.446 3.066 20 5 DGBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000248728543 285020452 /nfs/dbraw/zinc/02/04/52/285020452.db2.gz NSQMKFIYLQDCIT-MCIONIFRSA-N 1 0 322.405 3.093 20 5 DGBDRO C[NH+](C)CCOc1ccc(NCc2ccccc2[N+](=O)[O-])cc1 ZINC000119685227 195017673 /nfs/dbraw/zinc/01/76/73/195017673.db2.gz VPJIXVUIQGHAGU-UHFFFAOYSA-N 1 0 315.373 3.147 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000270540085 252796045 /nfs/dbraw/zinc/79/60/45/252796045.db2.gz XKFRMGBCSASLJG-OIISXLGYSA-N 1 0 316.401 3.075 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cnn(CC)c2)cc1[N+](=O)[O-] ZINC000271440691 252831994 /nfs/dbraw/zinc/83/19/94/252831994.db2.gz DDXHEKDNELCMDN-LBPRGKRZSA-N 1 0 318.377 3.061 20 5 DGBDRO COc1cc(NCC[NH+](C(C)C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000320254943 533029333 /nfs/dbraw/zinc/02/93/33/533029333.db2.gz XDTWRUMWOUBHPX-UHFFFAOYSA-N 1 0 313.373 3.273 20 5 DGBDRO COc1cc(NCCCC[N@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000413347198 533029448 /nfs/dbraw/zinc/02/94/48/533029448.db2.gz KNCPGESRGHAUEL-UHFFFAOYSA-N 1 0 311.357 3.029 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1C ZINC000336854808 253008516 /nfs/dbraw/zinc/00/85/16/253008516.db2.gz RTLFJRGMBOPLKN-NWDGAFQWSA-N 1 0 300.362 3.038 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000336875260 253016910 /nfs/dbraw/zinc/01/69/10/253016910.db2.gz DCGQZJBHMRMUBW-MLGOLLRUSA-N 1 0 323.441 3.042 20 5 DGBDRO CC(C)(C)CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000337192364 253059811 /nfs/dbraw/zinc/05/98/11/253059811.db2.gz UQSKYAZGRRJQCY-ZDUSSCGKSA-N 1 0 306.410 3.302 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000337283752 253078720 /nfs/dbraw/zinc/07/87/20/253078720.db2.gz JBECKTADIPALEZ-CHWSQXEVSA-N 1 0 300.305 3.153 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@@H]2OC(F)F)cc1 ZINC000337300999 253082200 /nfs/dbraw/zinc/08/22/00/253082200.db2.gz PRIFOHXMXVYRAZ-STQMWFEESA-N 1 0 300.305 3.235 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)c1 ZINC000337309944 253084094 /nfs/dbraw/zinc/08/40/94/253084094.db2.gz UJRYSTTWEVBOIK-OLZOCXBDSA-N 1 0 300.305 3.235 20 5 DGBDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000337321530 253086690 /nfs/dbraw/zinc/08/66/90/253086690.db2.gz QHDOKEVWELOVQO-UHFFFAOYSA-N 1 0 305.378 3.186 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000249876618 285090516 /nfs/dbraw/zinc/09/05/16/285090516.db2.gz GXKUWJBAALGLDI-KCQAQPDRSA-N 1 0 322.405 3.195 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)C1CC1 ZINC000249768497 285087725 /nfs/dbraw/zinc/08/77/25/285087725.db2.gz BHWKCUQLJHAGNO-JQFCIGGWSA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000270266881 208330993 /nfs/dbraw/zinc/33/09/93/208330993.db2.gz JOGYUUYVBYVYPJ-CYBMUJFWSA-N 1 0 318.373 3.353 20 5 DGBDRO CCC1(C)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000337691821 253160016 /nfs/dbraw/zinc/16/00/16/253160016.db2.gz PDRDNNMIZQYUER-UHFFFAOYSA-N 1 0 319.405 3.436 20 5 DGBDRO Cc1cnc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000273011028 210390586 /nfs/dbraw/zinc/39/05/86/210390586.db2.gz SDGISJILQFLEAM-KGLIPLIRSA-N 1 0 318.421 3.363 20 5 DGBDRO COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC000338350329 253270687 /nfs/dbraw/zinc/27/06/87/253270687.db2.gz NYJSLRBKOVNEPQ-HNNXBMFYSA-N 1 0 310.394 3.144 20 5 DGBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC1CCOCC1 ZINC000254914004 285112645 /nfs/dbraw/zinc/11/26/45/285112645.db2.gz CDECEVAQLUYKRQ-XQRVVYSFSA-N 1 0 304.390 3.357 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCn2cccn2)cc1[N+](=O)[O-] ZINC000159084371 197325660 /nfs/dbraw/zinc/32/56/60/197325660.db2.gz VHZCWVRMADNMRE-KGLIPLIRSA-N 1 0 302.378 3.229 20 5 DGBDRO Cc1nc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000272904184 210290624 /nfs/dbraw/zinc/29/06/24/210290624.db2.gz IZXZSJPNLMQBHQ-GXTWGEPZSA-N 1 0 318.421 3.363 20 5 DGBDRO C[NH+](C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000341259869 253775286 /nfs/dbraw/zinc/77/52/86/253775286.db2.gz BNWXPLCGEWYVKL-HNNXBMFYSA-N 1 0 303.337 3.449 20 5 DGBDRO CC(=O)c1ccc(OCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000288732732 220379280 /nfs/dbraw/zinc/37/92/80/220379280.db2.gz WSDWKTPUMBUOPG-UHFFFAOYSA-N 1 0 306.362 3.052 20 5 DGBDRO Cc1cnc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C ZINC000342771997 254046706 /nfs/dbraw/zinc/04/67/06/254046706.db2.gz ANQHREHWRDFKGR-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000157649159 197204316 /nfs/dbraw/zinc/20/43/16/197204316.db2.gz YCGCULSZNLZWEF-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO CC(=O)c1cc(NCC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000342846688 254064499 /nfs/dbraw/zinc/06/44/99/254064499.db2.gz FDSJXEHQAQMSSM-ZDUSSCGKSA-N 1 0 319.405 3.474 20 5 DGBDRO CC[C@H](C)[NH2+][C@H](CNc1ncccc1[N+](=O)[O-])c1ccco1 ZINC000343245826 254119591 /nfs/dbraw/zinc/11/95/91/254119591.db2.gz CRKMRSHHWPIVDD-NWDGAFQWSA-N 1 0 304.350 3.124 20 5 DGBDRO Cc1cnc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000343103085 254099876 /nfs/dbraw/zinc/09/98/76/254099876.db2.gz OBRZLBCVVRJMIH-XJKSGUPXSA-N 1 0 314.389 3.402 20 5 DGBDRO CCCC[N@H+](C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000343288911 254124419 /nfs/dbraw/zinc/12/44/19/254124419.db2.gz YSSZEBYUXGLMHY-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO Cc1cc(N(C)CCC[N@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000343795077 254189609 /nfs/dbraw/zinc/18/96/09/254189609.db2.gz WOPSQUDFFZLMFE-UHFFFAOYSA-N 1 0 317.389 3.455 20 5 DGBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344097899 254224424 /nfs/dbraw/zinc/22/44/24/254224424.db2.gz CMQIMJHALYSLGD-YGRLFVJLSA-N 1 0 300.786 3.135 20 5 DGBDRO CC[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000344214660 254240438 /nfs/dbraw/zinc/24/04/38/254240438.db2.gz CCNRKXOSPKTDGW-BLLLJJGKSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@@]1(C)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000344275487 254249204 /nfs/dbraw/zinc/24/92/04/254249204.db2.gz SVZQGLRSLNGHJF-INIZCTEOSA-N 1 0 316.361 3.267 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCOC1 ZINC000344622462 254289910 /nfs/dbraw/zinc/28/99/10/254289910.db2.gz ZCJMVQXUJOWVEN-JSGCOSHPSA-N 1 0 316.357 3.369 20 5 DGBDRO C[C@@](O)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000344404967 254267108 /nfs/dbraw/zinc/26/71/08/254267108.db2.gz FRKFHPKBETYDGD-QGZVFWFLSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CC1=Cc2ccccc2OC1 ZINC000344572671 254283798 /nfs/dbraw/zinc/28/37/98/254283798.db2.gz BZXSMZKSZGXPLN-UHFFFAOYSA-N 1 0 310.353 3.203 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(F)cn1 ZINC000345041324 254325606 /nfs/dbraw/zinc/32/56/06/254325606.db2.gz WGZQWKIWFKIZBY-GHXNOFRVSA-N 1 0 301.321 3.322 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000430207935 533136609 /nfs/dbraw/zinc/13/66/09/533136609.db2.gz SOLRPBPKNIFVBA-AWEZNQCLSA-N 1 0 308.378 3.039 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N(C)C)CCC1 ZINC000344792530 254305739 /nfs/dbraw/zinc/30/57/39/254305739.db2.gz KRNLQFLZVQQPRL-GXDHUFHOSA-N 1 0 303.406 3.072 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)Cn1ccnc1 ZINC000344816338 254307997 /nfs/dbraw/zinc/30/79/97/254307997.db2.gz CRMVOYCONJLYTM-OWTLUSIOSA-N 1 0 314.389 3.121 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000344824598 254308359 /nfs/dbraw/zinc/30/83/59/254308359.db2.gz NCNJIIDTQWZRRA-OMVNSRBRSA-N 1 0 302.374 3.299 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000344858556 254311094 /nfs/dbraw/zinc/31/10/94/254311094.db2.gz OQXMVMBZOJKLAJ-KADHNRKRSA-N 1 0 303.406 3.070 20 5 DGBDRO CCN1CCC[C@@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344861816 254311617 /nfs/dbraw/zinc/31/16/17/254311617.db2.gz KADQQUMLGAKRNV-IDKBZEPQSA-N 1 0 303.406 3.072 20 5 DGBDRO CC(C)n1cc2c(n1)C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)CC2 ZINC000345019812 254323771 /nfs/dbraw/zinc/32/37/71/254323771.db2.gz SWFJUIISYCRDMQ-ZDUSSCGKSA-N 1 0 320.418 3.081 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000287323682 285240208 /nfs/dbraw/zinc/24/02/08/285240208.db2.gz FPXXWLIIOWNELR-LZWOXQAQSA-N 1 0 306.406 3.178 20 5 DGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000120742088 195228630 /nfs/dbraw/zinc/22/86/30/195228630.db2.gz ZDXPXFMVRNKSCH-UHFFFAOYSA-N 1 0 321.421 3.097 20 5 DGBDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000289633057 221116146 /nfs/dbraw/zinc/11/61/46/221116146.db2.gz XBLQEBHEUVHUPN-CYBMUJFWSA-N 1 0 322.405 3.095 20 5 DGBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000429532962 533229946 /nfs/dbraw/zinc/22/99/46/533229946.db2.gz YUKONZKXYBLDKK-WBVHZDCISA-N 1 0 322.405 3.429 20 5 DGBDRO CC(C)(CCCO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271617380 209064875 /nfs/dbraw/zinc/06/48/75/209064875.db2.gz XWZDTKURJSOQHH-MRXNPFEDSA-N 1 0 320.433 3.304 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000470178926 533382299 /nfs/dbraw/zinc/38/22/99/533382299.db2.gz PVYOXFYNAQKIOM-WGWXLZAMSA-N 1 0 316.401 3.357 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C)(CO)CC1 ZINC000470203548 533383676 /nfs/dbraw/zinc/38/36/76/533383676.db2.gz CXGOMSHEUJSECA-UVTDQMKNSA-N 1 0 304.390 3.093 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C2CCC2)CC1 ZINC000470173938 533383732 /nfs/dbraw/zinc/38/37/32/533383732.db2.gz PEBVXNDKARGHDK-QINSGFPZSA-N 1 0 315.417 3.168 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000468603224 533385538 /nfs/dbraw/zinc/38/55/38/533385538.db2.gz RQTOBCAUEZMDDH-SNWQSULHSA-N 1 0 302.374 3.155 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000468603220 533409782 /nfs/dbraw/zinc/40/97/82/533409782.db2.gz RQTOBCAUEZMDDH-MMVAEHJNSA-N 1 0 302.374 3.155 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000468603222 533409980 /nfs/dbraw/zinc/40/99/80/533409980.db2.gz RQTOBCAUEZMDDH-NEPOYKIFSA-N 1 0 302.374 3.155 20 5 DGBDRO COc1ccc(C[N@@H+]2CCC[C@H](CSC)C2)cc1[N+](=O)[O-] ZINC000292426321 533558455 /nfs/dbraw/zinc/55/84/55/533558455.db2.gz NEEODXQSEOJLEH-ZDUSSCGKSA-N 1 0 310.419 3.178 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000413155929 533663723 /nfs/dbraw/zinc/66/37/23/533663723.db2.gz DGLSXEGIYUEDBE-YPMHNXCESA-N 1 0 300.362 3.038 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCCO1)C1CC1 ZINC000156388247 296514188 /nfs/dbraw/zinc/51/41/88/296514188.db2.gz PDKFIAJEQPIITC-CVEARBPZSA-N 1 0 304.390 3.075 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000150893447 296519692 /nfs/dbraw/zinc/51/96/92/296519692.db2.gz MDABPYMPKLHFEP-GFCCVEGCSA-N 1 0 324.812 3.098 20 5 DGBDRO Cc1nc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000357791052 285870483 /nfs/dbraw/zinc/87/04/83/285870483.db2.gz HPVGKBQDZTYKEL-LBPRGKRZSA-N 1 0 317.389 3.353 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1scnc1C ZINC000595043912 400086743 /nfs/dbraw/zinc/08/67/43/400086743.db2.gz ZKBUEOJTXBDWAG-SNVBAGLBSA-N 1 0 321.402 3.262 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000595047321 400088578 /nfs/dbraw/zinc/08/85/78/400088578.db2.gz QZJBVYMTKSKJIQ-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000595052915 400090407 /nfs/dbraw/zinc/09/04/07/400090407.db2.gz STIWSLKVTZQHRD-NVGCLXPQSA-N 1 0 322.405 3.458 20 5 DGBDRO Cc1ccc([C@@H](C)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595056365 400093021 /nfs/dbraw/zinc/09/30/21/400093021.db2.gz FRPVHNOOGVFYKY-HIFRSBDPSA-N 1 0 305.422 3.427 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C1(CO)CC1 ZINC000595068069 400097144 /nfs/dbraw/zinc/09/71/44/400097144.db2.gz ODBYGVZJCJXZKX-OLZOCXBDSA-N 1 0 324.446 3.216 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595080689 400101605 /nfs/dbraw/zinc/10/16/05/400101605.db2.gz NQQLUNGPBOLRRZ-ABAIWWIYSA-N 1 0 305.378 3.090 20 5 DGBDRO CCC[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000595088657 400101824 /nfs/dbraw/zinc/10/18/24/400101824.db2.gz KXLPHSCGYVDOFG-RHSMWYFYSA-N 1 0 306.406 3.434 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccoc2)cc1[N+](=O)[O-] ZINC000595088382 400101831 /nfs/dbraw/zinc/10/18/31/400101831.db2.gz QHFTWLRGAGYKQL-LBPRGKRZSA-N 1 0 304.346 3.480 20 5 DGBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000302885832 400103491 /nfs/dbraw/zinc/10/34/91/400103491.db2.gz YHZMBKMKMRAJMK-OAHLLOKOSA-N 1 0 312.373 3.066 20 5 DGBDRO CO[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCC1 ZINC000595094164 400103658 /nfs/dbraw/zinc/10/36/58/400103658.db2.gz HNFCDIMJDPHUFH-NVXWUHKLSA-N 1 0 304.390 3.377 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000285027344 400079269 /nfs/dbraw/zinc/07/92/69/400079269.db2.gz ZWSHDBADIJOPCY-IRXDYDNUSA-N 1 0 320.389 3.007 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000595022742 400079929 /nfs/dbraw/zinc/07/99/29/400079929.db2.gz VEXQDTSJWSOBLD-VQISRLSMSA-N 1 0 308.378 3.068 20 5 DGBDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090891027 400081519 /nfs/dbraw/zinc/08/15/19/400081519.db2.gz MZLYZPWBQWLPLH-YVEFUNNKSA-N 1 0 318.348 3.292 20 5 DGBDRO CCCC[NH+]1CCC(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000066371864 400082629 /nfs/dbraw/zinc/08/26/29/400082629.db2.gz JCDVAALALWCJOU-UHFFFAOYSA-N 1 0 319.405 3.474 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000595506304 400172135 /nfs/dbraw/zinc/17/21/35/400172135.db2.gz CGCOITZORQPFKF-UHFFFAOYSA-N 1 0 322.380 3.251 20 5 DGBDRO CCCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000066861689 400125893 /nfs/dbraw/zinc/12/58/93/400125893.db2.gz YMLWTBHILXOICY-LLVKDONJSA-N 1 0 304.350 3.438 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595321027 400126319 /nfs/dbraw/zinc/12/63/19/400126319.db2.gz VTJMDAOUCSKFLA-OAHLLOKOSA-N 1 0 315.373 3.407 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000608836618 400127902 /nfs/dbraw/zinc/12/79/02/400127902.db2.gz YPMADXAWHGFWEB-LBPRGKRZSA-N 1 0 314.389 3.131 20 5 DGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595346474 400132767 /nfs/dbraw/zinc/13/27/67/400132767.db2.gz JJYHIXORTYOBPN-SWLSCSKDSA-N 1 0 309.385 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000314856686 400141556 /nfs/dbraw/zinc/14/15/56/400141556.db2.gz VEOADXASTMAAIF-VIFPVBQESA-N 1 0 315.295 3.262 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000595419955 400143846 /nfs/dbraw/zinc/14/38/46/400143846.db2.gz BHCXMBDGJFIQOH-HNNXBMFYSA-N 1 0 310.369 3.155 20 5 DGBDRO C[C@@H](C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nccs1 ZINC000595423633 400145511 /nfs/dbraw/zinc/14/55/11/400145511.db2.gz FHDJGPNOKTUYAQ-JTQLQIEISA-N 1 0 309.366 3.426 20 5 DGBDRO COc1ccc(COc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000315635266 400146578 /nfs/dbraw/zinc/14/65/78/400146578.db2.gz VIQBDZHBDYHFAC-LLVKDONJSA-N 1 0 302.330 3.202 20 5 DGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@H]1CCOC1 ZINC000609203705 400149777 /nfs/dbraw/zinc/14/97/77/400149777.db2.gz OCPYNRVGNFNJFW-CQSZACIVSA-N 1 0 322.405 3.240 20 5 DGBDRO Cc1cc([C@H]2CCC[NH2+]2)ccc1-c1cc([N+](=O)[O-])ccc1CO ZINC000600782554 400151799 /nfs/dbraw/zinc/15/17/99/400151799.db2.gz MYBYQDNMUAGKPC-GOSISDBHSA-N 1 0 312.369 3.487 20 5 DGBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595677563 400224777 /nfs/dbraw/zinc/22/47/77/400224777.db2.gz PAXHNFYMNIYPRP-ABAIWWIYSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000025407330 400235298 /nfs/dbraw/zinc/23/52/98/400235298.db2.gz OWKAPVUSRRBHML-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595706027 400237922 /nfs/dbraw/zinc/23/79/22/400237922.db2.gz WRGKYURGEMBWAT-FZMZJTMJSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](CCF)C3)nc2c1 ZINC000595755759 400251424 /nfs/dbraw/zinc/25/14/24/400251424.db2.gz PSXROCQXUQRRAJ-NSHDSACASA-N 1 0 307.325 3.308 20 5 DGBDRO Cc1cc(N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000092657755 400190498 /nfs/dbraw/zinc/19/04/98/400190498.db2.gz HRMTVUMTANDWEH-HNNXBMFYSA-N 1 0 303.406 3.215 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C[N@@H+]1C1CC1 ZINC000092672340 400192567 /nfs/dbraw/zinc/19/25/67/400192567.db2.gz UUWOJZJFADDQJB-VXGBXAGGSA-N 1 0 312.373 3.180 20 5 DGBDRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595601113 400198380 /nfs/dbraw/zinc/19/83/80/400198380.db2.gz NBENRYSOWAGOAS-OAHLLOKOSA-N 1 0 314.389 3.245 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](CO)C2)s1 ZINC000092763811 400203064 /nfs/dbraw/zinc/20/30/64/400203064.db2.gz KYBMRXTZEMLAKC-GFCCVEGCSA-N 1 0 318.398 3.138 20 5 DGBDRO CC(C)C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000068334879 400254231 /nfs/dbraw/zinc/25/42/31/400254231.db2.gz YGNUPFPFCKUONT-NSHDSACASA-N 1 0 304.350 3.294 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000588232829 400204170 /nfs/dbraw/zinc/20/41/70/400204170.db2.gz UKKIYWOYKABQJX-JGGQBBKZSA-N 1 0 322.405 3.338 20 5 DGBDRO CC(C)c1ccc(C[NH+]2CCC([C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000092970170 400217288 /nfs/dbraw/zinc/21/72/88/400217288.db2.gz UTXMLUMWFHRXEY-CYBMUJFWSA-N 1 0 306.406 3.311 20 5 DGBDRO [NH3+]CCN(Cc1ccccc1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000589191387 400273016 /nfs/dbraw/zinc/27/30/16/400273016.db2.gz OSKLWLNXRFLOLF-UHFFFAOYSA-N 1 0 311.385 3.438 20 5 DGBDRO CC(C)CC1([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000595832268 400274772 /nfs/dbraw/zinc/27/47/72/400274772.db2.gz VSDJROXGOGTJNE-GFCCVEGCSA-N 1 0 305.378 3.090 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595857625 400282556 /nfs/dbraw/zinc/28/25/56/400282556.db2.gz MGAHOJYMRSVEAT-YBVGDJDPSA-N 1 0 317.389 3.185 20 5 DGBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595867455 400283021 /nfs/dbraw/zinc/28/30/21/400283021.db2.gz NQINBADOXYAENU-QWHCGFSZSA-N 1 0 305.378 3.186 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000610664735 400287108 /nfs/dbraw/zinc/28/71/08/400287108.db2.gz HZWORFUZKYIYKN-AWEZNQCLSA-N 1 0 319.405 3.415 20 5 DGBDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000589327546 400288636 /nfs/dbraw/zinc/28/86/36/400288636.db2.gz SDZCIBKOAIGSSN-CQSZACIVSA-N 1 0 316.332 3.136 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000589328724 400289898 /nfs/dbraw/zinc/28/98/98/400289898.db2.gz UMHHKVDFLUIRDF-LBPRGKRZSA-N 1 0 313.829 3.458 20 5 DGBDRO [NH3+]C[C@@H]1CCc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1F ZINC000595902985 400290439 /nfs/dbraw/zinc/29/04/39/400290439.db2.gz LFLJUXUXFQJJMO-HNNXBMFYSA-N 1 0 315.348 3.014 20 5 DGBDRO [NH3+][C@H]1CCc2ccccc2N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000595903687 400290611 /nfs/dbraw/zinc/29/06/11/400290611.db2.gz AHGRHAKWQZGTLJ-ZDUSSCGKSA-N 1 0 315.348 3.014 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2CCC(C)CC2)c1 ZINC000589495211 400301246 /nfs/dbraw/zinc/30/12/46/400301246.db2.gz IRDOMPCRZBQFRC-UHFFFAOYSA-N 1 0 320.389 3.392 20 5 DGBDRO Cc1cnn([C@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)c1 ZINC000589521525 400304555 /nfs/dbraw/zinc/30/45/55/400304555.db2.gz DWUXUOXUFGJKNP-LEXSJLIMSA-N 1 0 312.373 3.060 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000610799048 400307667 /nfs/dbraw/zinc/30/76/67/400307667.db2.gz ZMDAFNWZOLZPBC-CYBMUJFWSA-N 1 0 314.389 3.215 20 5 DGBDRO Cc1occc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610805232 400309400 /nfs/dbraw/zinc/30/94/00/400309400.db2.gz COPAJBBZOYEFHM-LLVKDONJSA-N 1 0 317.345 3.003 20 5 DGBDRO CC(=O)c1cc(NC[C@@H](C(C)C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596071157 400309653 /nfs/dbraw/zinc/30/96/53/400309653.db2.gz XJAKVTIDHHPVIC-KRWDZBQOSA-N 1 0 319.405 3.330 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccnn2CC)cc1[N+](=O)[O-] ZINC000596092616 400315462 /nfs/dbraw/zinc/31/54/62/400315462.db2.gz BYHMYXRVQPCWRU-LBPRGKRZSA-N 1 0 318.377 3.061 20 5 DGBDRO COc1cc(N[C@@H]2CC[N@@H+](C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596095104 400316900 /nfs/dbraw/zinc/31/69/00/400316900.db2.gz XZPCFDZUYPEGJO-SNVBAGLBSA-N 1 0 313.785 3.151 20 5 DGBDRO C[NH2+]C[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000596108122 400319880 /nfs/dbraw/zinc/31/98/80/400319880.db2.gz VIMZJTNWZDPNAE-SNVBAGLBSA-N 1 0 323.780 3.206 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000595782337 400257969 /nfs/dbraw/zinc/25/79/69/400257969.db2.gz JGBCIQHNDCYYFR-ZIAGYGMSSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cs1 ZINC000595788282 400259124 /nfs/dbraw/zinc/25/91/24/400259124.db2.gz IFMSHZGVVBFVIC-UONOGXRCSA-N 1 0 310.419 3.437 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000595785605 400259558 /nfs/dbraw/zinc/25/95/58/400259558.db2.gz FQZSXGCRFWCMAH-GOSISDBHSA-N 1 0 318.417 3.418 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595787664 400259743 /nfs/dbraw/zinc/25/97/43/400259743.db2.gz FTURQROTMVNNIN-RDJZCZTQSA-N 1 0 304.390 3.376 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595787665 400260063 /nfs/dbraw/zinc/26/00/63/400260063.db2.gz FTURQROTMVNNIN-WBVHZDCISA-N 1 0 304.390 3.376 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595789798 400260799 /nfs/dbraw/zinc/26/07/99/400260799.db2.gz OKQYKUFFVRSAKL-WBVHZDCISA-N 1 0 304.390 3.376 20 5 DGBDRO C[NH+](C)[C@@H](CNc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000610468892 400261495 /nfs/dbraw/zinc/26/14/95/400261495.db2.gz RKRNFVVJTXEUAN-AWEZNQCLSA-N 1 0 320.780 3.358 20 5 DGBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000611335877 400379295 /nfs/dbraw/zinc/37/92/95/400379295.db2.gz HVIWGBNTYRLDKG-QWQRMKEZSA-N 1 0 314.385 3.410 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H](CO)CC1CC1 ZINC000611337408 400380001 /nfs/dbraw/zinc/38/00/01/400380001.db2.gz BJQVPNDICSHPCR-UAGQMJEPSA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000072585597 400391056 /nfs/dbraw/zinc/39/10/56/400391056.db2.gz LEBFALYJCMYOMT-BBRMVZONSA-N 1 0 317.389 3.106 20 5 DGBDRO CC(=O)c1ccc(NC[C@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000036725197 400391735 /nfs/dbraw/zinc/39/17/35/400391735.db2.gz RNVWFYJFHVZXHX-AWEZNQCLSA-N 1 0 307.394 3.186 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C2CC2)CC1 ZINC000590008733 400347617 /nfs/dbraw/zinc/34/76/17/400347617.db2.gz ZMKOWIPFBWPOSM-LBPRGKRZSA-N 1 0 317.389 3.044 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1OC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000596254893 400362614 /nfs/dbraw/zinc/36/26/14/400362614.db2.gz UCHIQTBTCCRWLO-AWEZNQCLSA-N 1 0 308.378 3.245 20 5 DGBDRO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000611257669 400367066 /nfs/dbraw/zinc/36/70/66/400367066.db2.gz BOKQZCWHYPPENR-SOFGYWHQSA-N 1 0 304.390 3.499 20 5 DGBDRO CC[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCOC1 ZINC000590177165 400368083 /nfs/dbraw/zinc/36/80/83/400368083.db2.gz SESYTSFSCDDBOB-ZDUSSCGKSA-N 1 0 318.295 3.272 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]3CCC[C@H]31)OCCO2 ZINC000611265440 400368614 /nfs/dbraw/zinc/36/86/14/400368614.db2.gz OOWUYECVGBKSLV-GXTWGEPZSA-N 1 0 318.373 3.131 20 5 DGBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+](CC3CC3)C2)ccc2ncccc21 ZINC000112080869 400370760 /nfs/dbraw/zinc/37/07/60/400370760.db2.gz AZVUYXWIAZUYPO-CYBMUJFWSA-N 1 0 312.373 3.039 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000611274843 400370847 /nfs/dbraw/zinc/37/08/47/400370847.db2.gz PMZDUMOUVZCRLA-IVZVJUQRSA-N 1 0 316.401 3.357 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000611296833 400374502 /nfs/dbraw/zinc/37/45/02/400374502.db2.gz UBLRWJFIBYJKPY-UHFFFAOYSA-N 1 0 318.421 3.001 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000611516690 400413912 /nfs/dbraw/zinc/41/39/12/400413912.db2.gz XIVYEVACSCBDEC-GJZGRUSLSA-N 1 0 305.422 3.427 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000611516003 400414536 /nfs/dbraw/zinc/41/45/36/400414536.db2.gz YZTQXRBJHYUHIM-ZBFHGGJFSA-N 1 0 314.389 3.498 20 5 DGBDRO C[NH+](C)CCOc1ccc(CNc2sccc2[N+](=O)[O-])cc1 ZINC000611411781 400396466 /nfs/dbraw/zinc/39/64/66/400396466.db2.gz NPCNDSACYFRCLO-UHFFFAOYSA-N 1 0 321.402 3.209 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cocn1 ZINC000611474066 400407993 /nfs/dbraw/zinc/40/79/93/400407993.db2.gz GCCHTFQMXINDJK-NSHDSACASA-N 1 0 307.375 3.243 20 5 DGBDRO CC[C@@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000590646541 400408975 /nfs/dbraw/zinc/40/89/75/400408975.db2.gz MGLDHTAWAMFCNY-NVXWUHKLSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000072873032 400411144 /nfs/dbraw/zinc/41/11/44/400411144.db2.gz FLRCXAOHULHOSQ-BETUJISGSA-N 1 0 315.373 3.380 20 5 DGBDRO Cc1cc(N(C)CC2=CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596466130 400420830 /nfs/dbraw/zinc/42/08/30/400420830.db2.gz RHTXMKCNLHUORN-UHFFFAOYSA-N 1 0 313.357 3.234 20 5 DGBDRO Cc1cc(NC[C@H]2CCOC2(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596537630 400439010 /nfs/dbraw/zinc/43/90/10/400439010.db2.gz CJPVJFUUQGUBGB-GFCCVEGCSA-N 1 0 315.373 3.100 20 5 DGBDRO C[C@H]1C[C@H](C)C[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000073602877 400458934 /nfs/dbraw/zinc/45/89/34/400458934.db2.gz VKNLQWJAULKJHX-RYUDHWBXSA-N 1 0 316.361 3.123 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000596570366 400446564 /nfs/dbraw/zinc/44/65/64/400446564.db2.gz IPWACWGGMJGPEK-ZDUSSCGKSA-N 1 0 307.369 3.268 20 5 DGBDRO Cc1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596571264 400447395 /nfs/dbraw/zinc/44/73/95/400447395.db2.gz RRUCVZYXRZVCJP-OAHLLOKOSA-N 1 0 303.406 3.437 20 5 DGBDRO Cc1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000596571600 400447493 /nfs/dbraw/zinc/44/74/93/400447493.db2.gz XORUBBPJNWVWQM-ZDUSSCGKSA-N 1 0 309.435 3.499 20 5 DGBDRO C[C@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCS1 ZINC000602567875 400499368 /nfs/dbraw/zinc/49/93/68/400499368.db2.gz KMXAOEBBUJMGBI-CQSZACIVSA-N 1 0 307.375 3.111 20 5 DGBDRO CCC(C)(C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000074320173 400504804 /nfs/dbraw/zinc/50/48/04/400504804.db2.gz GDZUEIHNQBWHCE-UHFFFAOYSA-N 1 0 313.785 3.307 20 5 DGBDRO CC(C)C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602584728 400504985 /nfs/dbraw/zinc/50/49/85/400504985.db2.gz KBGJKYQOMLJADL-NVXWUHKLSA-N 1 0 306.406 3.321 20 5 DGBDRO CCc1ccc([C@H](N[C@@H](C)C[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000596655639 400473482 /nfs/dbraw/zinc/47/34/82/400473482.db2.gz ZBZGMZVFFWLOJI-YVEFUNNKSA-N 1 0 317.389 3.037 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591061700 400481145 /nfs/dbraw/zinc/48/11/45/400481145.db2.gz DOVVIQZEFDSAJL-JSGCOSHPSA-N 1 0 317.389 3.044 20 5 DGBDRO CCCCOCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602504460 400481176 /nfs/dbraw/zinc/48/11/76/400481176.db2.gz QKTUEIASPBCLRE-UHFFFAOYSA-N 1 0 307.350 3.032 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602503524 400481681 /nfs/dbraw/zinc/48/16/81/400481681.db2.gz PQXRQRPAPZDNJY-ZCFIWIBFSA-N 1 0 305.197 3.307 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C1CCC(O)CC1 ZINC000602617915 400513038 /nfs/dbraw/zinc/51/30/38/400513038.db2.gz ASBPQOUPVCSWDP-UHFFFAOYSA-N 1 0 318.295 3.007 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3C[C@H]3Cc3ccccc3)nc2c1 ZINC000602544913 400493455 /nfs/dbraw/zinc/49/34/55/400493455.db2.gz BYZAWFXGORXMSG-HIFRSBDPSA-N 1 0 323.352 3.457 20 5 DGBDRO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC000074158582 400494917 /nfs/dbraw/zinc/49/49/17/400494917.db2.gz MZEMASZCYQCQNB-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCC(F)(F)F)nc2c1 ZINC000602554208 400495296 /nfs/dbraw/zinc/49/52/96/400495296.db2.gz HBDJFEVNODZVPB-UHFFFAOYSA-N 1 0 303.240 3.168 20 5 DGBDRO Nc1c(F)cccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000602561038 400496145 /nfs/dbraw/zinc/49/61/45/400496145.db2.gz PTMCBTTWTDNYBO-UHFFFAOYSA-N 1 0 317.364 3.429 20 5 DGBDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602557783 400496499 /nfs/dbraw/zinc/49/64/99/400496499.db2.gz IXKKCWDZKNAZSU-NXEZZACHSA-N 1 0 320.311 3.110 20 5 DGBDRO C[C@@H](CCc1cccn1C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602557216 400496527 /nfs/dbraw/zinc/49/65/27/400496527.db2.gz NJNPBAHLKOOZGN-AWEZNQCLSA-N 1 0 301.390 3.087 20 5 DGBDRO CC[C@H](C)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602561932 400497547 /nfs/dbraw/zinc/49/75/47/400497547.db2.gz RRDUARIXPDCXNI-UONOGXRCSA-N 1 0 320.437 3.373 20 5 DGBDRO CCO[C@@H](CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000602564536 400498304 /nfs/dbraw/zinc/49/83/04/400498304.db2.gz AKKKNDFEOYEMLF-AWEZNQCLSA-N 1 0 321.377 3.277 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444791 400526878 /nfs/dbraw/zinc/52/68/78/400526878.db2.gz WWEKFAIXBZDSCR-NWDGAFQWSA-N 1 0 309.797 3.074 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444793 400527521 /nfs/dbraw/zinc/52/75/21/400527521.db2.gz WWEKFAIXBZDSCR-VXGBXAGGSA-N 1 0 309.797 3.074 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)c1ccco1 ZINC000074743862 400532566 /nfs/dbraw/zinc/53/25/66/400532566.db2.gz DOJALWSFEYAAGJ-AWEZNQCLSA-N 1 0 318.377 3.386 20 5 DGBDRO COCC(C)(C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602672405 400534496 /nfs/dbraw/zinc/53/44/96/400534496.db2.gz OTEUWFKLOPUYMQ-UHFFFAOYSA-N 1 0 320.311 3.376 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000602690936 400541079 /nfs/dbraw/zinc/54/10/79/400541079.db2.gz SIDZEOCKMTUFAT-BXKDBHETSA-N 1 0 318.295 3.271 20 5 DGBDRO Cc1ncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000597138250 400569024 /nfs/dbraw/zinc/56/90/24/400569024.db2.gz NOWMAHCLYVJORN-HNNXBMFYSA-N 1 0 314.389 3.016 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861338 400615336 /nfs/dbraw/zinc/61/53/36/400615336.db2.gz MSOZICYDOJJXBM-CABCVRRESA-N 1 0 305.422 3.462 20 5 DGBDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F)CCOCC2 ZINC000592182708 400619432 /nfs/dbraw/zinc/61/94/32/400619432.db2.gz PQSDSGJPNUHKGI-LBPRGKRZSA-N 1 0 308.353 3.125 20 5 DGBDRO COc1ccc(C[N@H+](C)C2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000141374225 400624754 /nfs/dbraw/zinc/62/47/54/400624754.db2.gz JGDMKBHOLJQSKW-UHFFFAOYSA-N 1 0 312.369 3.203 20 5 DGBDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571405 400626843 /nfs/dbraw/zinc/62/68/43/400626843.db2.gz LIPVOAOJHSSMPE-PBFPGSCMSA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000618573919 400628059 /nfs/dbraw/zinc/62/80/59/400628059.db2.gz JIXSGBPBFUBGDJ-RVSPLBMKSA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592380708 400643120 /nfs/dbraw/zinc/64/31/20/400643120.db2.gz PWLKIALUMATEOO-KCJUWKMLSA-N 1 0 318.345 3.180 20 5 DGBDRO CC(C)(C)c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592356665 400637444 /nfs/dbraw/zinc/63/74/44/400637444.db2.gz CUKINDANJATOBG-LBPRGKRZSA-N 1 0 316.361 3.367 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccnn2CC(C)C)cccc1[N+](=O)[O-] ZINC000592367034 400638975 /nfs/dbraw/zinc/63/89/75/400638975.db2.gz LZDIOOYYFAVAJD-UHFFFAOYSA-N 1 0 302.378 3.046 20 5 DGBDRO C[NH+](C)CCc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000076158635 400640111 /nfs/dbraw/zinc/64/01/11/400640111.db2.gz BSMJCCALUACLDX-UHFFFAOYSA-N 1 0 319.386 3.013 20 5 DGBDRO CSc1ccc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602827239 400585809 /nfs/dbraw/zinc/58/58/09/400585809.db2.gz QGQBKZLTJSDPEW-LLVKDONJSA-N 1 0 320.418 3.172 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000602841165 400588028 /nfs/dbraw/zinc/58/80/28/400588028.db2.gz RRQVOZRSLRXLTN-JTQLQIEISA-N 1 0 308.769 3.104 20 5 DGBDRO CC(C)[C@H](O)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000597222955 400591686 /nfs/dbraw/zinc/59/16/86/400591686.db2.gz QLRFATCEXRLPMV-ROUUACIJSA-N 1 0 314.385 3.443 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC4(COC4)C3)o2)cc1 ZINC000597228555 400593223 /nfs/dbraw/zinc/59/32/23/400593223.db2.gz CVVWWXLWQJFGIV-UHFFFAOYSA-N 1 0 314.341 3.077 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592374812 400640851 /nfs/dbraw/zinc/64/08/51/400640851.db2.gz KSGFCZUEKFSUOF-CMPLNLGQSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000592140110 400612353 /nfs/dbraw/zinc/61/23/53/400612353.db2.gz BZEAEBIPNIJMBG-ZDUSSCGKSA-N 1 0 301.321 3.118 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000597665787 400657508 /nfs/dbraw/zinc/65/75/08/400657508.db2.gz GKCMTERQRRLQAV-RYUDHWBXSA-N 1 0 305.378 3.023 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)CC1CCC1 ZINC000603429048 400686066 /nfs/dbraw/zinc/68/60/66/400686066.db2.gz MDVLRRQNZJWPQQ-LPDYGMJQSA-N 1 0 304.390 3.139 20 5 DGBDRO COc1cc(C[N@H+](C)CC2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000052128352 400718556 /nfs/dbraw/zinc/71/85/56/400718556.db2.gz VTGHCNYZTHNTGU-UHFFFAOYSA-N 1 0 316.304 3.047 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000157690230 400718802 /nfs/dbraw/zinc/71/88/02/400718802.db2.gz USRHMYBCZQTPBJ-BBRMVZONSA-N 1 0 303.406 3.038 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000157712097 400719956 /nfs/dbraw/zinc/71/99/56/400719956.db2.gz JVZFLSIZQPVQHG-ZFWWWQNUSA-N 1 0 303.406 3.038 20 5 DGBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000052160225 400720734 /nfs/dbraw/zinc/72/07/34/400720734.db2.gz KFFHZMNVAMDTNW-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC3(CC3(F)F)CC2)cc1 ZINC000593077471 400754653 /nfs/dbraw/zinc/75/46/53/400754653.db2.gz QRACSQHVXPSXBS-UHFFFAOYSA-N 1 0 312.316 3.095 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593077452 400754733 /nfs/dbraw/zinc/75/47/33/400754733.db2.gz QGXHIQQFBGSJRX-UHFFFAOYSA-N 1 0 312.316 3.225 20 5 DGBDRO COC[C@@H]1CCCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000613548310 400746857 /nfs/dbraw/zinc/74/68/57/400746857.db2.gz JHQJXCWZMSMKFV-WUKHSURWSA-N 1 0 304.390 3.357 20 5 DGBDRO CC(C)O[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593055908 400747448 /nfs/dbraw/zinc/74/74/48/400747448.db2.gz UHMSOWHXGNDWPV-QGZVFWFLSA-N 1 0 322.405 3.253 20 5 DGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1F ZINC000051213470 400697118 /nfs/dbraw/zinc/69/71/18/400697118.db2.gz IGELSSQCYCCMMS-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO CCC(CC)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000165334626 400752749 /nfs/dbraw/zinc/75/27/49/400752749.db2.gz KMNPCJCNKNASJG-UHFFFAOYSA-N 1 0 305.378 3.186 20 5 DGBDRO C[C@@](O)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000077460303 400718109 /nfs/dbraw/zinc/71/81/09/400718109.db2.gz XQYNORLXNYTVDL-MQDFFIGUSA-N 1 0 318.398 3.167 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(C4CCC4)CC3)o2)cc1 ZINC000593082863 400757264 /nfs/dbraw/zinc/75/72/64/400757264.db2.gz YCLUHNKVJSYWAP-UHFFFAOYSA-N 1 0 314.345 3.067 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000168951349 400758288 /nfs/dbraw/zinc/75/82/88/400758288.db2.gz SGQAOYSBRYPGPV-JYJNAYRXSA-N 1 0 302.374 3.032 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077994938 400760306 /nfs/dbraw/zinc/76/03/06/400760306.db2.gz FHVOLELQOGYWSV-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO Cc1ccc([C@H](CNc2cccnc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000604473052 400778201 /nfs/dbraw/zinc/77/82/01/400778201.db2.gz XHOUAFSAZYMYGX-HNNXBMFYSA-N 1 0 300.362 3.013 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000604482922 400779180 /nfs/dbraw/zinc/77/91/80/400779180.db2.gz PLGILFZKIRSAJD-UHFFFAOYSA-N 1 0 303.406 3.297 20 5 DGBDRO C[N@H+](CCOc1ccccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000053421772 400783019 /nfs/dbraw/zinc/78/30/19/400783019.db2.gz OFAPHGKBUPRNCC-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCOCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000614253508 400864320 /nfs/dbraw/zinc/86/43/20/400864320.db2.gz BTWDMDDMBNWGMV-UHFFFAOYSA-N 1 0 304.390 3.296 20 5 DGBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCCO1 ZINC000599047416 400938517 /nfs/dbraw/zinc/93/85/17/400938517.db2.gz WATWYWDTBKBQMS-YVEFUNNKSA-N 1 0 317.389 3.166 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599051170 400940210 /nfs/dbraw/zinc/94/02/10/400940210.db2.gz GXGLRGHVTGVRHD-CQSZACIVSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1ncccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599073199 400949944 /nfs/dbraw/zinc/94/99/44/400949944.db2.gz MLZBQPGZCRTMBE-KRWDZBQOSA-N 1 0 311.385 3.409 20 5 DGBDRO COc1cccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1F ZINC000619715363 400893061 /nfs/dbraw/zinc/89/30/61/400893061.db2.gz WNCWMFNFTYSDPT-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO O=C(CC[NH+]1C2CCCC1CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000619718613 400893295 /nfs/dbraw/zinc/89/32/95/400893295.db2.gz SGKGBLIACPORBQ-UHFFFAOYSA-N 1 0 317.389 3.330 20 5 DGBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC(C2CCOCC2)C1 ZINC000599074396 400952167 /nfs/dbraw/zinc/95/21/67/400952167.db2.gz LNIJZQFITROUES-UHFFFAOYSA-N 1 0 313.357 3.006 20 5 DGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000619783787 400906209 /nfs/dbraw/zinc/90/62/09/400906209.db2.gz YPLYCISTVKFFQO-LLVKDONJSA-N 1 0 319.386 3.336 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccsc1 ZINC000619783832 400906513 /nfs/dbraw/zinc/90/65/13/400906513.db2.gz ZWHUAVGXETVYFQ-NSHDSACASA-N 1 0 319.386 3.254 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ncccc2[N+](=O)[O-])C1 ZINC000079927307 400907386 /nfs/dbraw/zinc/90/73/86/400907386.db2.gz LIKNUSDRCJUJQG-OKILXGFUSA-N 1 0 306.410 3.160 20 5 DGBDRO CN(C)c1c(F)c(F)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000598954387 400911337 /nfs/dbraw/zinc/91/13/37/400911337.db2.gz DOQBMRMDBWLUPP-UHFFFAOYSA-N 1 0 321.327 3.229 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCCC1 ZINC000056197341 400914395 /nfs/dbraw/zinc/91/43/95/400914395.db2.gz FOUPIKQVOKCZTR-CHWSQXEVSA-N 1 0 319.405 3.083 20 5 DGBDRO Cc1cccc2c1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CO2 ZINC000598987135 400920510 /nfs/dbraw/zinc/92/05/10/400920510.db2.gz NUYCFXJGQCTUQA-CYBMUJFWSA-N 1 0 316.332 3.136 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000598988806 400921745 /nfs/dbraw/zinc/92/17/45/400921745.db2.gz BDGSLXSMRLWPHL-YXOJNZSOSA-N 1 0 324.380 3.339 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000598997449 400924011 /nfs/dbraw/zinc/92/40/11/400924011.db2.gz BOLHVBRTHHNINT-QGZVFWFLSA-N 1 0 303.406 3.010 20 5 DGBDRO COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000599019541 400928563 /nfs/dbraw/zinc/92/85/63/400928563.db2.gz GPSHNHMAPWKESB-KRWDZBQOSA-N 1 0 313.357 3.239 20 5 DGBDRO CC[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000599022571 400929839 /nfs/dbraw/zinc/92/98/39/400929839.db2.gz RKFXNOLFGYTVJL-CQSZACIVSA-N 1 0 314.389 3.429 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CCN(C)CC(F)F)cc1[N+](=O)[O-] ZINC000599023983 400930951 /nfs/dbraw/zinc/93/09/51/400930951.db2.gz WYVKDIFQPAHCOU-UHFFFAOYSA-N 1 0 315.364 3.005 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599036864 400934157 /nfs/dbraw/zinc/93/41/57/400934157.db2.gz XBPLLOILXRYBKV-CQSZACIVSA-N 1 0 314.389 3.110 20 5 DGBDRO COc1cc(NC[C@H]2CC[N@@H+]2C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000599164722 400982542 /nfs/dbraw/zinc/98/25/42/400982542.db2.gz KIXGLQVTFZFUEX-GFCCVEGCSA-N 1 0 323.368 3.171 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000057364298 400991203 /nfs/dbraw/zinc/99/12/03/400991203.db2.gz ZLSGZAXMYVCWRW-MRXNPFEDSA-N 1 0 314.389 3.485 20 5 DGBDRO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000599093116 400958374 /nfs/dbraw/zinc/95/83/74/400958374.db2.gz VVERCBCODVQDBQ-JHNDHUHGSA-N 1 0 318.417 3.321 20 5 DGBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000599093539 400958928 /nfs/dbraw/zinc/95/89/28/400958928.db2.gz YVSYWABJAAZHSB-PVXIVEMSSA-N 1 0 304.390 3.332 20 5 DGBDRO O=[N+]([O-])c1c(NCC(O)(C2CC2)C2CC2)ccc2cnccc21 ZINC000599109082 400962068 /nfs/dbraw/zinc/96/20/68/400962068.db2.gz ZPWPQBVYPYRIRA-UHFFFAOYSA-N 1 0 313.357 3.106 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000080611269 400968776 /nfs/dbraw/zinc/96/87/76/400968776.db2.gz ULUFCTKRVYNTSM-LLVKDONJSA-N 1 0 317.311 3.144 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCn2ccnc21 ZINC000594504919 401084821 /nfs/dbraw/zinc/08/48/21/401084821.db2.gz OKFULBLAEVSUKL-CYBMUJFWSA-N 1 0 320.780 3.112 20 5 DGBDRO CCC1(O)CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594500661 401081170 /nfs/dbraw/zinc/08/11/70/401081170.db2.gz APFLBVOMNSREER-YAJUMTOWSA-N 1 0 304.390 3.255 20 5 DGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000058932741 401082321 /nfs/dbraw/zinc/08/23/21/401082321.db2.gz LWXCVLCGKXKONK-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO CN1Cc2ccccc2[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594503109 401082338 /nfs/dbraw/zinc/08/23/38/401082338.db2.gz SPAWXSALKHMRGQ-MSOLQXFVSA-N 1 0 323.396 3.358 20 5 DGBDRO CCC[NH+](CCC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000060090180 401101581 /nfs/dbraw/zinc/10/15/81/401101581.db2.gz XOJSWWTXNLIMQL-UHFFFAOYSA-N 1 0 307.394 3.354 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC2(CC2)CC1 ZINC000599673790 401108507 /nfs/dbraw/zinc/10/85/07/401108507.db2.gz ZBQPAEADELEIAU-CYBMUJFWSA-N 1 0 317.389 3.188 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000060369942 401110777 /nfs/dbraw/zinc/11/07/77/401110777.db2.gz JTYLVORXZXTBGE-QGZVFWFLSA-N 1 0 311.385 3.324 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594598797 401123882 /nfs/dbraw/zinc/12/38/82/401123882.db2.gz HYGUITHLQQKKFY-CHWSQXEVSA-N 1 0 310.785 3.072 20 5 DGBDRO CCOc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594600013 401125838 /nfs/dbraw/zinc/12/58/38/401125838.db2.gz LBNBCUGBBONJEM-LSDHHAIUSA-N 1 0 319.405 3.422 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594603335 401127073 /nfs/dbraw/zinc/12/70/73/401127073.db2.gz UHZGFPZGZAXXFB-DLBZAZTESA-N 1 0 319.405 3.170 20 5 DGBDRO COc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC000594601891 401127338 /nfs/dbraw/zinc/12/73/38/401127338.db2.gz PJEAWTDARIKTGQ-TZMCWYRMSA-N 1 0 323.368 3.171 20 5 DGBDRO CCC(CC)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272520372 401138448 /nfs/dbraw/zinc/13/84/48/401138448.db2.gz KXDPYOSLAPYVSP-MRXNPFEDSA-N 1 0 316.405 3.444 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000615724271 401143981 /nfs/dbraw/zinc/14/39/81/401143981.db2.gz WPKAIMXUDWBJEF-ZGUWOUCSSA-N 1 0 315.417 3.072 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCc2nc(C3CC3)ncc2C1 ZINC000599619366 401092256 /nfs/dbraw/zinc/09/22/56/401092256.db2.gz JJNIKZGCPYWWNC-GFCCVEGCSA-N 1 0 324.384 3.382 20 5 DGBDRO C[NH+](C)CCc1ccc(CNc2ccsc2[N+](=O)[O-])cc1 ZINC000615525953 401097354 /nfs/dbraw/zinc/09/73/54/401097354.db2.gz HZVLOWHSIDBWHE-UHFFFAOYSA-N 1 0 305.403 3.373 20 5 DGBDRO C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000594729902 401161393 /nfs/dbraw/zinc/16/13/93/401161393.db2.gz PFQHQORWHDYQMY-LLVKDONJSA-N 1 0 300.362 3.057 20 5 DGBDRO CCC1CCC([N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)CC1 ZINC000358260169 286013701 /nfs/dbraw/zinc/01/37/01/286013701.db2.gz CDCWIQZNALKSQH-UHFFFAOYSA-N 1 0 306.410 3.225 20 5 DGBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000600168201 401205385 /nfs/dbraw/zinc/20/53/85/401205385.db2.gz GWPPBMJABMSAPT-ZDUSSCGKSA-N 1 0 318.373 3.448 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000088701494 401205698 /nfs/dbraw/zinc/20/56/98/401205698.db2.gz OIGSRQOQNMAUHF-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCOC(C)(C)C ZINC000594978077 401216213 /nfs/dbraw/zinc/21/62/13/401216213.db2.gz XDKOZHXOWNPYKR-UHFFFAOYSA-N 1 0 310.394 3.288 20 5 DGBDRO O=[N+]([O-])c1cccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000594977266 401216455 /nfs/dbraw/zinc/21/64/55/401216455.db2.gz ITNDPQCMKOAXOK-HNNXBMFYSA-N 1 0 303.406 3.091 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594977319 401216607 /nfs/dbraw/zinc/21/66/07/401216607.db2.gz KBHBOIUHBTZYQV-HNNXBMFYSA-N 1 0 303.406 3.091 20 5 DGBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000594994483 401222988 /nfs/dbraw/zinc/22/29/88/401222988.db2.gz GISWLFNISUQNFI-CVEARBPZSA-N 1 0 302.330 3.122 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H](OC)C2CCCCC2)cc1[N+](=O)[O-] ZINC000594997622 401223949 /nfs/dbraw/zinc/22/39/49/401223949.db2.gz OJIOJOLAHIUONT-QGZVFWFLSA-N 1 0 322.405 3.288 20 5 DGBDRO CC(C)CC1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000595000407 401224255 /nfs/dbraw/zinc/22/42/55/401224255.db2.gz KVISLBMRSRDPST-UHFFFAOYSA-N 1 0 306.362 3.130 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCOCC(C)C ZINC000595005065 401227026 /nfs/dbraw/zinc/22/70/26/401227026.db2.gz WSLGRZUQUIXOSE-CYBMUJFWSA-N 1 0 310.394 3.317 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595005937 401227632 /nfs/dbraw/zinc/22/76/32/401227632.db2.gz GIVOIDQCBCFPOT-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO O=[N+]([O-])c1sccc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000064129086 401229371 /nfs/dbraw/zinc/22/93/71/401229371.db2.gz ZSUUUPSNUVJOCR-UHFFFAOYSA-N 1 0 309.435 3.359 20 5 DGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010127 401229533 /nfs/dbraw/zinc/22/95/33/401229533.db2.gz BVOCQBJGIJZIDQ-FRRDWIJNSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](CCO)CC(C)C ZINC000595011037 401231134 /nfs/dbraw/zinc/23/11/34/401231134.db2.gz GLSBUWXQYFZUKG-ZIAGYGMSSA-N 1 0 324.421 3.299 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000595013497 401232278 /nfs/dbraw/zinc/23/22/78/401232278.db2.gz IUMLDTQZZWHLGB-ZDUSSCGKSA-N 1 0 321.421 3.127 20 5 DGBDRO CCOC1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000595016144 401232827 /nfs/dbraw/zinc/23/28/27/401232827.db2.gz QVHSWTINNXSSSO-UHFFFAOYSA-N 1 0 308.378 3.041 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020055 401235846 /nfs/dbraw/zinc/23/58/46/401235846.db2.gz SMZUWYSXWVMONC-MKBNYLNASA-N 1 0 310.394 3.051 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000090078897 401254178 /nfs/dbraw/zinc/25/41/78/401254178.db2.gz ZASXSFDZNLXZGF-ZUZCIYMTSA-N 1 0 322.311 3.257 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC[NH+](C(C)C)C(C)C)n1 ZINC000359082251 286232801 /nfs/dbraw/zinc/23/28/01/286232801.db2.gz LWLFYQITYNLQEI-UHFFFAOYSA-N 1 0 308.426 3.162 20 5 DGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000359449377 286310905 /nfs/dbraw/zinc/31/09/05/286310905.db2.gz AWTZTRQEYJHDGR-UHFFFAOYSA-N 1 0 321.421 3.097 20 5 DGBDRO Cc1cc(NCC2CC[NH+](C3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000360067217 286418282 /nfs/dbraw/zinc/41/82/82/286418282.db2.gz VMQOGVZWMAVHLN-UHFFFAOYSA-N 1 0 307.369 3.329 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC000360665799 286517101 /nfs/dbraw/zinc/51/71/01/286517101.db2.gz YZLQFFYBJVAUHF-HNNXBMFYSA-N 1 0 306.410 3.221 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000449345543 286897343 /nfs/dbraw/zinc/89/73/43/286897343.db2.gz WHIBVSALNCIBAK-YOEHRIQHSA-N 1 0 320.433 3.304 20 5 DGBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182182848 164931836 /nfs/dbraw/zinc/93/18/36/164931836.db2.gz OIOFAYZYUZDPFP-HUUCEWRRSA-N 1 0 312.797 3.374 20 5 DGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000185653087 165011203 /nfs/dbraw/zinc/01/12/03/165011203.db2.gz SLLBQBYFTLBIMZ-SWLSCSKDSA-N 1 0 319.405 3.352 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CCSCC1 ZINC000187162532 165079117 /nfs/dbraw/zinc/07/91/17/165079117.db2.gz ZGLMYMSODKLDHX-LLVKDONJSA-N 1 0 310.419 3.225 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187286687 165082253 /nfs/dbraw/zinc/08/22/53/165082253.db2.gz FODVAEGJFIWNCG-DNNBLBMLSA-N 1 0 304.390 3.073 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000187294901 165085798 /nfs/dbraw/zinc/08/57/98/165085798.db2.gz VNYFMGJUZJGHDJ-ZCTGUTNYSA-N 1 0 320.389 3.212 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000190324689 165199299 /nfs/dbraw/zinc/19/92/99/165199299.db2.gz OUHAQJLWQRDOOL-CYBMUJFWSA-N 1 0 324.450 3.144 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000246667575 432154125 /nfs/dbraw/zinc/15/41/25/432154125.db2.gz JGLAHVJWYZKMHZ-NEPJUHHUSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000246947280 432183583 /nfs/dbraw/zinc/18/35/83/432183583.db2.gz QZWUJVGIROXAEE-NEPJUHHUSA-N 1 0 316.361 3.265 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000269687150 432197760 /nfs/dbraw/zinc/19/77/60/432197760.db2.gz SXSHSGUAKRZKKY-MSOLQXFVSA-N 1 0 312.369 3.465 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000130438078 196084234 /nfs/dbraw/zinc/08/42/34/196084234.db2.gz KKXWBGBGTNOHQT-FZMZJTMJSA-N 1 0 323.368 3.231 20 5 DGBDRO Cc1cc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[nH]n1 ZINC000271630705 209074697 /nfs/dbraw/zinc/07/46/97/209074697.db2.gz PBMWFDXYWYTRQL-UHFFFAOYSA-N 1 0 314.389 3.048 20 5 DGBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000130558124 196090326 /nfs/dbraw/zinc/09/03/26/196090326.db2.gz JJJIXXOLZZXXRR-OAHLLOKOSA-N 1 0 300.362 3.272 20 5 DGBDRO C[C@@H](O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000130676912 196101082 /nfs/dbraw/zinc/10/10/82/196101082.db2.gz YHMHXIMQCSIEQH-LLVKDONJSA-N 1 0 306.387 3.136 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000131038991 196134751 /nfs/dbraw/zinc/13/47/51/196134751.db2.gz VEGSTGZMLNHVNU-DUVNUKRYSA-N 1 0 322.430 3.300 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000132067585 196223736 /nfs/dbraw/zinc/22/37/36/196223736.db2.gz JYFOBSNXMOCCCY-WMLDXEAASA-N 1 0 314.385 3.157 20 5 DGBDRO CC(C)(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000132822903 196286985 /nfs/dbraw/zinc/28/69/85/196286985.db2.gz SIGUAIOVQBPEDQ-UHFFFAOYSA-N 1 0 320.368 3.231 20 5 DGBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000295923383 225383187 /nfs/dbraw/zinc/38/31/87/225383187.db2.gz KDHGWERVITVQJR-SDDRHHMPSA-N 1 0 318.398 3.497 20 5 DGBDRO C[C@@H](Cc1ccccc1F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000186740176 228412328 /nfs/dbraw/zinc/41/23/28/228412328.db2.gz INPHMHNUQJRMRD-ZDUSSCGKSA-N 1 0 302.349 3.497 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCCCO)c2ccccc2)c1 ZINC000192924369 228558579 /nfs/dbraw/zinc/55/85/79/228558579.db2.gz CHECBEMIKJYBRZ-SFHVURJKSA-N 1 0 314.385 3.436 20 5 DGBDRO Cc1ccnc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301306958 229619427 /nfs/dbraw/zinc/61/94/27/229619427.db2.gz VJEKBRYXKAHQRD-WBMJQRKESA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1cc(N[C@@H](C)CC[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000302036342 230051222 /nfs/dbraw/zinc/05/12/22/230051222.db2.gz UWNASPRKLYLYHJ-NSHDSACASA-N 1 0 302.378 3.204 20 5 DGBDRO Cc1cc(N(C)C[C@@H]2CCC[C@H]2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302056620 230069209 /nfs/dbraw/zinc/06/92/09/230069209.db2.gz AXGMEGNWSVFRGB-YVEFUNNKSA-N 1 0 315.373 3.049 20 5 DGBDRO C[C@H]1C[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000413155926 230141385 /nfs/dbraw/zinc/14/13/85/230141385.db2.gz DGLSXEGIYUEDBE-WCQYABFASA-N 1 0 300.362 3.038 20 5 DGBDRO Cc1cc(NCCOc2cccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302177121 230142829 /nfs/dbraw/zinc/14/28/29/230142829.db2.gz NCYORPWMLWCASR-UHFFFAOYSA-N 1 0 324.340 3.337 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413174541 230145036 /nfs/dbraw/zinc/14/50/36/230145036.db2.gz QGDYAYVWFICQFD-ZIAGYGMSSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1cc(N[C@@H]2C[C@@H]3OCCC[C@H]23)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302564244 230299247 /nfs/dbraw/zinc/29/92/47/230299247.db2.gz NZYRKEQFNLLZPZ-JLZZUVOBSA-N 1 0 313.357 3.431 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182816602 263596729 /nfs/dbraw/zinc/59/67/29/263596729.db2.gz PQNDXXGGFVDKLJ-HOCLYGCPSA-N 1 0 305.422 3.380 20 5 DGBDRO [NH3+]CCCN(Cc1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000346383290 264023217 /nfs/dbraw/zinc/02/32/17/264023217.db2.gz GXTDJWVPVSPVSO-UHFFFAOYSA-N 1 0 321.327 3.228 20 5 DGBDRO COc1ccc(CNc2cc[nH+]c3ccccc23)cc1[N+](=O)[O-] ZINC000346612625 264065276 /nfs/dbraw/zinc/06/52/76/264065276.db2.gz PHZMGTKEJPXNTJ-UHFFFAOYSA-N 1 0 309.325 3.186 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000347093022 264156042 /nfs/dbraw/zinc/15/60/42/264156042.db2.gz GMOXLPDATYGKLF-CABCVRRESA-N 1 0 303.406 3.045 20 5 DGBDRO CC(C)c1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000347099033 264156768 /nfs/dbraw/zinc/15/67/68/264156768.db2.gz JCUIWXZJCLAWRL-OAHLLOKOSA-N 1 0 303.406 3.045 20 5 DGBDRO [NH3+]C[C@H]1CCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347170113 264168762 /nfs/dbraw/zinc/16/87/62/264168762.db2.gz MYVRHDIHNAYTST-OAHLLOKOSA-N 1 0 315.373 3.168 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000347502997 264231534 /nfs/dbraw/zinc/23/15/34/264231534.db2.gz ISLVKBWYKVUIGY-UHFFFAOYSA-N 1 0 322.368 3.317 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnn2)c1 ZINC000348069924 264333920 /nfs/dbraw/zinc/33/39/20/264333920.db2.gz HDJFMMWELJMTJZ-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO CCOc1ccc([C@@H](C)NCCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349245972 264502985 /nfs/dbraw/zinc/50/29/85/264502985.db2.gz JDAZABBMOJCBNX-CQSZACIVSA-N 1 0 323.437 3.374 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000350457978 264620316 /nfs/dbraw/zinc/62/03/16/264620316.db2.gz JAJLARDJNGTEMD-ZDUSSCGKSA-N 1 0 322.409 3.062 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000352298662 264995364 /nfs/dbraw/zinc/99/53/64/264995364.db2.gz ZWXJNPDWGVXBFD-IIDMSEBBSA-N 1 0 317.433 3.432 20 5 DGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352796633 265171574 /nfs/dbraw/zinc/17/15/74/265171574.db2.gz GZHCJGMSHCKICG-OLZOCXBDSA-N 1 0 323.824 3.307 20 5 DGBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC(C)(C)C1 ZINC000355583567 266122375 /nfs/dbraw/zinc/12/23/75/266122375.db2.gz NLWKQXHBKHNTLZ-AWEZNQCLSA-N 1 0 320.389 3.472 20 5 DGBDRO C[C@@H]1CC[C@@H]([N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO)C1 ZINC000356359939 266366179 /nfs/dbraw/zinc/36/61/79/266366179.db2.gz HUOGQXCCFILLLD-UKWDMRDTSA-N 1 0 304.390 3.091 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182816581 432232523 /nfs/dbraw/zinc/23/25/23/432232523.db2.gz PQNDXXGGFVDKLJ-GOEBONIOSA-N 1 0 305.422 3.380 20 5 DGBDRO CCC1(CO)CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182975269 432247755 /nfs/dbraw/zinc/24/77/55/432247755.db2.gz LKOSTJWPSXUCOU-CQSZACIVSA-N 1 0 306.406 3.449 20 5 DGBDRO Cc1cc(N2CC[C@@H]([NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359868210 271004794 /nfs/dbraw/zinc/00/47/94/271004794.db2.gz CRJAVEDINROWJA-SNVBAGLBSA-N 1 0 317.311 3.062 20 5 DGBDRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000369139883 271245289 /nfs/dbraw/zinc/24/52/89/271245289.db2.gz MCDFPTXTYPEBGC-GJZGRUSLSA-N 1 0 314.389 3.144 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000370647407 271377119 /nfs/dbraw/zinc/37/71/19/271377119.db2.gz HDSRKZJXYUFVCU-DOTOQJQBSA-N 1 0 320.389 3.039 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000370647410 271378037 /nfs/dbraw/zinc/37/80/37/271378037.db2.gz HDSRKZJXYUFVCU-WBVHZDCISA-N 1 0 320.389 3.039 20 5 DGBDRO CC(C)(CO)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453278904 273505320 /nfs/dbraw/zinc/50/53/20/273505320.db2.gz PZPGMJGIRMUWSW-HNNXBMFYSA-N 1 0 306.406 3.315 20 5 DGBDRO CC(C)[C@@H](O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433269177 273546824 /nfs/dbraw/zinc/54/68/24/273546824.db2.gz HQGNQQBZNWOCLP-CVEARBPZSA-N 1 0 306.406 3.314 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc21 ZINC000296448694 273589994 /nfs/dbraw/zinc/58/99/94/273589994.db2.gz MPZSGXNXSYAPSA-WQGACYEGSA-N 1 0 304.390 3.068 20 5 DGBDRO COCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338959567 274017170 /nfs/dbraw/zinc/01/71/70/274017170.db2.gz DYXTYQHNPHCWEY-UHFFFAOYSA-N 1 0 306.284 3.128 20 5 DGBDRO COC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433294641 274044320 /nfs/dbraw/zinc/04/43/20/274044320.db2.gz AEGPJVKTFPKCPZ-HZPDHXFCSA-N 1 0 304.390 3.332 20 5 DGBDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000279645007 274062011 /nfs/dbraw/zinc/06/20/11/274062011.db2.gz BDRFAEUKBLEPQX-SUMWQHHRSA-N 1 0 300.358 3.461 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000192640148 274110799 /nfs/dbraw/zinc/11/07/99/274110799.db2.gz DSRJMEIVNCWEEF-MRXNPFEDSA-N 1 0 313.357 3.166 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CCC(C)(C)C ZINC000449301253 274231787 /nfs/dbraw/zinc/23/17/87/274231787.db2.gz RBUBXOBTXWQNBM-ZFWWWQNUSA-N 1 0 308.422 3.303 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000192624804 274287359 /nfs/dbraw/zinc/28/73/59/274287359.db2.gz GMKNFFBMVXXKHB-MLGOLLRUSA-N 1 0 320.389 3.472 20 5 DGBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000332212224 274297200 /nfs/dbraw/zinc/29/72/00/274297200.db2.gz VYENYVPWHIKGKE-WZRBSPASSA-N 1 0 302.378 3.385 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247983792 432258783 /nfs/dbraw/zinc/25/87/83/432258783.db2.gz IPYBFIVIMJFHHI-SWLSCSKDSA-N 1 0 323.824 3.164 20 5 DGBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC000452071123 274511297 /nfs/dbraw/zinc/51/12/97/274511297.db2.gz QNPUFEQZALMXTC-IHRRRGAJSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCOC1 ZINC000294594842 274516443 /nfs/dbraw/zinc/51/64/43/274516443.db2.gz NHBWAJTWPBFMOT-VHSXEESVSA-N 1 0 318.295 3.128 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000193800045 275035388 /nfs/dbraw/zinc/03/53/88/275035388.db2.gz ISNNNAIDJJRCBA-RISCZKNCSA-N 1 0 305.334 3.268 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1(CO)CC1)CCCC2 ZINC000417349548 275038173 /nfs/dbraw/zinc/03/81/73/275038173.db2.gz LQHVYUMORWRCFL-MRXNPFEDSA-N 1 0 304.390 3.115 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)CCCC2 ZINC000417335110 275038320 /nfs/dbraw/zinc/03/83/20/275038320.db2.gz SGFSOXCYLZGYSQ-ISTRZQFTSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1O3)CCCC2 ZINC000417309643 275038433 /nfs/dbraw/zinc/03/84/33/275038433.db2.gz JBIDOHWXMUTISM-DZUCGIPZSA-N 1 0 302.374 3.272 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)CC1CCC1)CCC2 ZINC000281299845 275038493 /nfs/dbraw/zinc/03/84/93/275038493.db2.gz YOLHSHSHSXNXRD-RHSMWYFYSA-N 1 0 304.390 3.113 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CC2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279013241 275867334 /nfs/dbraw/zinc/86/73/34/275867334.db2.gz HCNMVFYBMPHQRR-INIZCTEOSA-N 1 0 304.390 3.333 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CC2(CO)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433232196 275867364 /nfs/dbraw/zinc/86/73/64/275867364.db2.gz BKCJMTILKGEOJW-HNNXBMFYSA-N 1 0 304.390 3.069 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433092745 275867833 /nfs/dbraw/zinc/86/78/33/275867833.db2.gz XSDXPEKEFGVTAW-FFSVYQOJSA-N 1 0 304.390 3.068 20 5 DGBDRO CCC[C@](C)(O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433174722 276052114 /nfs/dbraw/zinc/05/21/14/276052114.db2.gz KDTOJDYPSVVLDC-WBVHZDCISA-N 1 0 306.406 3.458 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344311162 276053502 /nfs/dbraw/zinc/05/35/02/276053502.db2.gz WQGDFGRDDZAURB-BBRMVZONSA-N 1 0 305.422 3.291 20 5 DGBDRO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449337289 276251302 /nfs/dbraw/zinc/25/13/02/276251302.db2.gz PIGHKEJIWOWOEL-LSDHHAIUSA-N 1 0 307.438 3.236 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000450411868 276251516 /nfs/dbraw/zinc/25/15/16/276251516.db2.gz OGYUJIIBPUULBU-STQMWFEESA-N 1 0 314.389 3.062 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCC1 ZINC000453363716 276428802 /nfs/dbraw/zinc/42/88/02/276428802.db2.gz BXAABJYWPRYERA-ZFWWWQNUSA-N 1 0 324.446 3.216 20 5 DGBDRO CCOc1cccc(N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000273850548 276498738 /nfs/dbraw/zinc/49/87/38/276498738.db2.gz JSPGWUGCQOHZFT-AWEZNQCLSA-N 1 0 319.405 3.058 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](O)C(C)C ZINC000414286168 276589296 /nfs/dbraw/zinc/58/92/96/276589296.db2.gz CKRCWUJNOHWJOE-GVDBMIGSSA-N 1 0 306.406 3.357 20 5 DGBDRO CN1CCC[C@@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417342088 277064583 /nfs/dbraw/zinc/06/45/83/277064583.db2.gz OUJMEYGYRPPNPI-WBVHZDCISA-N 1 0 303.406 3.046 20 5 DGBDRO COC1(C)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272830451 277463887 /nfs/dbraw/zinc/46/38/87/277463887.db2.gz KZAPWEMSMRHBRG-UHFFFAOYSA-N 1 0 315.373 3.457 20 5 DGBDRO COC1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433229790 277469033 /nfs/dbraw/zinc/46/90/33/277469033.db2.gz FGWHUMSQECTXBJ-OAHLLOKOSA-N 1 0 304.390 3.476 20 5 DGBDRO CS[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000294891575 278146609 /nfs/dbraw/zinc/14/66/09/278146609.db2.gz DBIRQKMOUPJSTN-GFCCVEGCSA-N 1 0 303.387 3.393 20 5 DGBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301084218 278187502 /nfs/dbraw/zinc/18/75/02/278187502.db2.gz JIDXNPUGYNAFRG-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000278546009 278354173 /nfs/dbraw/zinc/35/41/73/278354173.db2.gz VHXJVUPOLJFVJX-CXAGYDPISA-N 1 0 303.406 3.262 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000453402355 278603875 /nfs/dbraw/zinc/60/38/75/278603875.db2.gz FRQSBWYMPUNGQZ-AXAPSJFSSA-N 1 0 304.390 3.474 20 5 DGBDRO CCCO[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000108395955 431138108 /nfs/dbraw/zinc/13/81/08/431138108.db2.gz SAKNCQMMXZDESI-HNNXBMFYSA-N 1 0 322.405 3.255 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000068838616 431144596 /nfs/dbraw/zinc/14/45/96/431144596.db2.gz JRFRZZYQBWPCBU-OAHLLOKOSA-N 1 0 301.346 3.437 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000068838189 431144631 /nfs/dbraw/zinc/14/46/31/431144631.db2.gz UJTYRDRZUGVIBO-CYBMUJFWSA-N 1 0 305.378 3.045 20 5 DGBDRO CCC[C@@]1(C)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072896162 431354098 /nfs/dbraw/zinc/35/40/98/431354098.db2.gz XSHVHSQSVAIRLN-KRWDZBQOSA-N 1 0 319.405 3.096 20 5 DGBDRO C[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000114241974 431378720 /nfs/dbraw/zinc/37/87/20/431378720.db2.gz DYRNQXZSZGVMGZ-UONOGXRCSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000114241976 431380155 /nfs/dbraw/zinc/38/01/55/431380155.db2.gz DYRNQXZSZGVMGZ-ZIAGYGMSSA-N 1 0 319.405 3.037 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000114467784 431389848 /nfs/dbraw/zinc/38/98/48/431389848.db2.gz YLUXODMMXYKEPC-GOSISDBHSA-N 1 0 312.369 3.077 20 5 DGBDRO CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CC1 ZINC000114724045 431406510 /nfs/dbraw/zinc/40/65/10/431406510.db2.gz AWBQBSZLNXQTBW-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116280287 431501112 /nfs/dbraw/zinc/50/11/12/431501112.db2.gz QRKUXKCYNUUVDF-ZFWWWQNUSA-N 1 0 312.797 3.374 20 5 DGBDRO C[NH+](C)CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116410399 431509349 /nfs/dbraw/zinc/50/93/49/431509349.db2.gz OITHKGVFOJWKGP-AWEZNQCLSA-N 1 0 322.409 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000077221007 431576331 /nfs/dbraw/zinc/57/63/31/431576331.db2.gz PFDHDXFXWFSKHG-UHFFFAOYSA-N 1 0 308.341 3.070 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCC[C@H]2F)n1 ZINC000414316183 280377433 /nfs/dbraw/zinc/37/74/33/280377433.db2.gz UBPIDGALQUXIJG-MQYQWHSLSA-N 1 0 310.373 3.145 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000077465942 431596814 /nfs/dbraw/zinc/59/68/14/431596814.db2.gz WKGWWFIKGHLNHQ-PBHICJAKSA-N 1 0 306.406 3.359 20 5 DGBDRO CCC(CC)[N@H+](CCOC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000077377756 431591212 /nfs/dbraw/zinc/59/12/12/431591212.db2.gz HCHHSHXNGVAUSO-UHFFFAOYSA-N 1 0 310.394 3.240 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078270575 431652329 /nfs/dbraw/zinc/65/23/29/431652329.db2.gz DMSJZMRNUQORFI-HUBLWGQQSA-N 1 0 305.378 3.090 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCCCO)C1CC1 ZINC000118844233 431622131 /nfs/dbraw/zinc/62/21/31/431622131.db2.gz WMNFPSGTPUUMHJ-UHFFFAOYSA-N 1 0 322.405 3.119 20 5 DGBDRO CCCC[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000027272373 431687779 /nfs/dbraw/zinc/68/77/79/431687779.db2.gz SCNODWNUAGBKQH-UHFFFAOYSA-N 1 0 313.785 3.309 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000078617740 431688779 /nfs/dbraw/zinc/68/87/79/431688779.db2.gz LZLCNZFNQIBSFN-LLVKDONJSA-N 1 0 317.311 3.144 20 5 DGBDRO CC[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000033456212 431815385 /nfs/dbraw/zinc/81/53/85/431815385.db2.gz CACYPKMBYAGHCH-UHFFFAOYSA-N 1 0 316.357 3.292 20 5 DGBDRO CC(C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000080746447 431776448 /nfs/dbraw/zinc/77/64/48/431776448.db2.gz MAYYXNFPFDTYKU-UONOGXRCSA-N 1 0 319.405 3.290 20 5 DGBDRO CCC(CC)(CC)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000081156827 431785759 /nfs/dbraw/zinc/78/57/59/431785759.db2.gz HKQYSNJZAKTZTJ-UHFFFAOYSA-N 1 0 307.394 3.400 20 5 DGBDRO COCc1cccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000121430462 431786527 /nfs/dbraw/zinc/78/65/27/431786527.db2.gz ISFOSYBSJPMJLL-UHFFFAOYSA-N 1 0 316.357 3.040 20 5 DGBDRO CN(C)[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000037562537 431847600 /nfs/dbraw/zinc/84/76/00/431847600.db2.gz OUXGYUOXNCLRMN-AWEZNQCLSA-N 1 0 305.403 3.049 20 5 DGBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000037754813 431849738 /nfs/dbraw/zinc/84/97/38/431849738.db2.gz GHIFGCZGLUFTLQ-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO CCOc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)ccc1OC ZINC000122443119 431832865 /nfs/dbraw/zinc/83/28/65/431832865.db2.gz STQUJONQQRNJJR-UHFFFAOYSA-N 1 0 316.357 3.292 20 5 DGBDRO C[C@@]1(O)CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000124760406 431903593 /nfs/dbraw/zinc/90/35/93/431903593.db2.gz NBNGWYQOIVFGMK-HXUWFJFHSA-N 1 0 323.392 3.293 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000124841097 431905971 /nfs/dbraw/zinc/90/59/71/431905971.db2.gz CRPIMRFOXSEQFP-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125513862 431928656 /nfs/dbraw/zinc/92/86/56/431928656.db2.gz SDQWQKUAJLFONZ-OAHLLOKOSA-N 1 0 305.422 3.102 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000122317614 280941928 /nfs/dbraw/zinc/94/19/28/280941928.db2.gz MGUISCDWECGKNI-IUODEOHRSA-N 1 0 314.389 3.365 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000048804603 431933389 /nfs/dbraw/zinc/93/33/89/431933389.db2.gz IDSSVSJOZHDMRI-UHFFFAOYSA-N 1 0 303.284 3.121 20 5 DGBDRO Cc1csc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000126198700 431944866 /nfs/dbraw/zinc/94/48/66/431944866.db2.gz JPMHSMJJROTUSO-CQSZACIVSA-N 1 0 317.414 3.471 20 5 DGBDRO COc1ccc(C[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000051316130 431951170 /nfs/dbraw/zinc/95/11/70/431951170.db2.gz LXBUGTTWFATMCI-UHFFFAOYSA-N 1 0 316.357 3.244 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC2(C1)CCOCC2 ZINC000272335191 281021136 /nfs/dbraw/zinc/02/11/36/281021136.db2.gz NLIQBIFREWFPTB-AWEZNQCLSA-N 1 0 304.390 3.467 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1nccs1)C1CC1 ZINC000127846763 431982560 /nfs/dbraw/zinc/98/25/60/431982560.db2.gz FHUGBEGCNCYHSW-AWEZNQCLSA-N 1 0 317.414 3.205 20 5 DGBDRO C[C@H](c1ccccn1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000127984908 431985168 /nfs/dbraw/zinc/98/51/68/431985168.db2.gz WEIALMGCYAOANQ-CYBMUJFWSA-N 1 0 301.346 3.062 20 5 DGBDRO COc1ccc(-c2ccc(C[NH+]3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000102420436 431993377 /nfs/dbraw/zinc/99/33/77/431993377.db2.gz OFEZPWCEMIJNNH-UHFFFAOYSA-N 1 0 302.330 3.459 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000183383463 432288883 /nfs/dbraw/zinc/28/88/83/432288883.db2.gz DNTHRYAHTNWDQA-GLJUWKHASA-N 1 0 314.385 3.410 20 5 DGBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183550950 432301881 /nfs/dbraw/zinc/30/18/81/432301881.db2.gz PBSBLRKDNFBHQH-GFCCVEGCSA-N 1 0 314.345 3.197 20 5 DGBDRO C[N@H+](CCOc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000248070550 432266031 /nfs/dbraw/zinc/26/60/31/432266031.db2.gz SHCBKBJVTODLHM-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO CC[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)N1CCCC1 ZINC000151686573 432267202 /nfs/dbraw/zinc/26/72/02/432267202.db2.gz AYAXTBXKZNGBMY-LSDHHAIUSA-N 1 0 305.422 3.428 20 5 DGBDRO CCC[C@@H]([NH2+]CC(C)(C)C(=O)NCC)c1cccc([N+](=O)[O-])c1 ZINC000183204631 432268446 /nfs/dbraw/zinc/26/84/46/432268446.db2.gz PPIAFBMJBWKCBQ-OAHLLOKOSA-N 1 0 321.421 3.188 20 5 DGBDRO CC(C)[C@@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271048051 432321361 /nfs/dbraw/zinc/32/13/61/432321361.db2.gz NKJBQWPDBYSKTE-CYBMUJFWSA-N 1 0 316.405 3.472 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000248899439 432327490 /nfs/dbraw/zinc/32/74/90/432327490.db2.gz PIEYCNWWGWLZIQ-ZIAGYGMSSA-N 1 0 319.405 3.352 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@H](C)CC1 ZINC000192184100 432342794 /nfs/dbraw/zinc/34/27/94/432342794.db2.gz KNDIOTLZYTXZSO-GFCCVEGCSA-N 1 0 310.419 3.321 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000152751325 432352039 /nfs/dbraw/zinc/35/20/39/432352039.db2.gz PAVFIQWESXXNSX-DOMZBBRYSA-N 1 0 310.781 3.249 20 5 DGBDRO Cc1ccc(C[NH2+][C@@](C)(CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000152769098 432354328 /nfs/dbraw/zinc/35/43/28/432354328.db2.gz STCWWNGJVKWAKS-KRWDZBQOSA-N 1 0 306.406 3.324 20 5 DGBDRO CC[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000270988333 432310418 /nfs/dbraw/zinc/31/04/18/432310418.db2.gz GSDWVGFDNFRJJZ-UHFFFAOYSA-N 1 0 306.387 3.138 20 5 DGBDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000152198711 432313142 /nfs/dbraw/zinc/31/31/42/432313142.db2.gz RZBPMFQSONNMID-MZGVZZPPSA-N 1 0 302.374 3.203 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000251984358 432374088 /nfs/dbraw/zinc/37/40/88/432374088.db2.gz VNYFMGJUZJGHDJ-HVOFVXBASA-N 1 0 320.389 3.212 20 5 DGBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000271332189 432375886 /nfs/dbraw/zinc/37/58/86/432375886.db2.gz NDOIQPLCYYJKSP-BLLLJJGKSA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174878226 432376403 /nfs/dbraw/zinc/37/64/03/432376403.db2.gz ATFGGHQBXOGDNK-MLGOLLRUSA-N 1 0 318.352 3.014 20 5 DGBDRO O=[N+]([O-])c1cnc(Nc2ccc(CC[NH+]3CCCC3)cc2)s1 ZINC000192452349 432376685 /nfs/dbraw/zinc/37/66/85/432376685.db2.gz TVMRDAVHHXEXKZ-UHFFFAOYSA-N 1 0 318.402 3.433 20 5 DGBDRO C[N@H+](CCc1ccccn1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153094255 432383383 /nfs/dbraw/zinc/38/33/83/432383383.db2.gz ZXLQSCDZORNRDV-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000271406858 432388476 /nfs/dbraw/zinc/38/84/76/432388476.db2.gz YDKMUWVOWYTWNK-CJNGLKHVSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCOCC1CC1)CCC2 ZINC000192619444 432393619 /nfs/dbraw/zinc/39/36/19/432393619.db2.gz ZLGKHFKNXRRXBF-QGZVFWFLSA-N 1 0 304.390 3.379 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000192660139 432398523 /nfs/dbraw/zinc/39/85/23/432398523.db2.gz HOWBCJZWTXDVBA-GTNSWQLSSA-N 1 0 314.389 3.365 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000271485990 432405534 /nfs/dbraw/zinc/40/55/34/432405534.db2.gz DWMJSRVSSGJPNL-IHRRRGAJSA-N 1 0 322.405 3.459 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000271495411 432408298 /nfs/dbraw/zinc/40/82/98/432408298.db2.gz LBVZDKSKRNOZFD-HUUCEWRRSA-N 1 0 300.362 3.436 20 5 DGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000271525454 432415057 /nfs/dbraw/zinc/41/50/57/432415057.db2.gz RCHAAZAQDUSULM-JRPNMDOOSA-N 1 0 311.813 3.067 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000192833231 432418181 /nfs/dbraw/zinc/41/81/81/432418181.db2.gz ORSGQPGQOKAELZ-PXAZEXFGSA-N 1 0 303.406 3.045 20 5 DGBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000184709442 432423461 /nfs/dbraw/zinc/42/34/61/432423461.db2.gz ZDWRLYFLTBXZQS-DOMZBBRYSA-N 1 0 319.405 3.142 20 5 DGBDRO CC[NH+](CC)CCCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153641830 432427751 /nfs/dbraw/zinc/42/77/51/432427751.db2.gz HBHKZZLYQUUXHX-UHFFFAOYSA-N 1 0 300.790 3.177 20 5 DGBDRO COCc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000272328209 432483455 /nfs/dbraw/zinc/48/34/55/432483455.db2.gz RIVRCDPGJWPGIA-UHFFFAOYSA-N 1 0 324.764 3.320 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000154241211 432485114 /nfs/dbraw/zinc/48/51/14/432485114.db2.gz WDLDLEMUFTXEIY-KCQAQPDRSA-N 1 0 322.405 3.195 20 5 DGBDRO Cc1ccc(C(C)(C)C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176269693 432505097 /nfs/dbraw/zinc/50/50/97/432505097.db2.gz HBQLKJSXLXDIDT-UHFFFAOYSA-N 1 0 316.405 3.009 20 5 DGBDRO COc1cccc(NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000185523344 432509046 /nfs/dbraw/zinc/50/90/46/432509046.db2.gz RNRNJTAAWOZLTN-UHFFFAOYSA-N 1 0 319.405 3.422 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1[NH3+] ZINC000262041006 432470179 /nfs/dbraw/zinc/47/01/79/432470179.db2.gz PBYBVLMHOABLDL-RISCZKNCSA-N 1 0 317.414 3.102 20 5 DGBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000272578022 432528575 /nfs/dbraw/zinc/52/85/75/432528575.db2.gz XMEDHKOGQUWENR-OLZOCXBDSA-N 1 0 316.357 3.058 20 5 DGBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185827641 432536161 /nfs/dbraw/zinc/53/61/61/432536161.db2.gz BNKUFFHREGOODZ-HSWBROFVSA-N 1 0 316.357 3.272 20 5 DGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000194673738 432567544 /nfs/dbraw/zinc/56/75/44/432567544.db2.gz XPLWNIKDXUHQAU-LBPRGKRZSA-N 1 0 314.341 3.217 20 5 DGBDRO O=[N+]([O-])c1cccc(CN(Cc2cnc3ccccn23)C2CC2)c1 ZINC000155708349 432569824 /nfs/dbraw/zinc/56/98/24/432569824.db2.gz AOVJVUBMMDHLGW-UHFFFAOYSA-N 1 0 322.368 3.407 20 5 DGBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)o1 ZINC000263739847 432570852 /nfs/dbraw/zinc/57/08/52/432570852.db2.gz RDTKDBHYGAXNPK-CQSZACIVSA-N 1 0 316.361 3.140 20 5 DGBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1OCCc2ccccc21 ZINC000263753636 432572448 /nfs/dbraw/zinc/57/24/48/432572448.db2.gz SYCLRSODXZDHKY-GOSISDBHSA-N 1 0 312.369 3.341 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000186395957 432591198 /nfs/dbraw/zinc/59/11/98/432591198.db2.gz CFXSVLPAWYEUJE-DLBZAZTESA-N 1 0 306.406 3.321 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000186482038 432598454 /nfs/dbraw/zinc/59/84/54/432598454.db2.gz PXRMFQSBFUVWCT-ZDUSSCGKSA-N 1 0 322.405 3.197 20 5 DGBDRO CCN(CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000156573353 432600621 /nfs/dbraw/zinc/60/06/21/432600621.db2.gz PTGJZTFYKLYPEB-QGZVFWFLSA-N 1 0 319.449 3.236 20 5 DGBDRO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000186527829 432603460 /nfs/dbraw/zinc/60/34/60/432603460.db2.gz FIHMFTCQPUCFPY-NSHDSACASA-N 1 0 306.387 3.184 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000195509137 432624794 /nfs/dbraw/zinc/62/47/94/432624794.db2.gz YOSUSOMVZXRMPE-TXEJJXNPSA-N 1 0 312.439 3.221 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000159201913 432674292 /nfs/dbraw/zinc/67/42/92/432674292.db2.gz NINGHZHBAAGUGA-RRQGHBQHSA-N 1 0 306.406 3.495 20 5 DGBDRO CC(C)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000265249277 432680876 /nfs/dbraw/zinc/68/08/76/432680876.db2.gz NVEOJQRYWDBVHX-UHFFFAOYSA-N 1 0 324.764 3.369 20 5 DGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000274563473 432682160 /nfs/dbraw/zinc/68/21/60/432682160.db2.gz ABHDLFRSUXAIKX-GFCCVEGCSA-N 1 0 307.394 3.317 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000178066975 432691150 /nfs/dbraw/zinc/69/11/50/432691150.db2.gz GXKKBCPCLNANBN-ZFWWWQNUSA-N 1 0 305.422 3.286 20 5 DGBDRO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680158 432765982 /nfs/dbraw/zinc/76/59/82/432765982.db2.gz FKRMGNYEACHBSR-KBPBESRZSA-N 1 0 321.421 3.249 20 5 DGBDRO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680785 432767114 /nfs/dbraw/zinc/76/71/14/432767114.db2.gz UBHJKKOUBAWFAS-CHWSQXEVSA-N 1 0 321.421 3.247 20 5 DGBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178718243 432769654 /nfs/dbraw/zinc/76/96/54/432769654.db2.gz XYYJUNAEKFMQAT-NEPJUHHUSA-N 1 0 302.378 3.357 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000178721225 432770123 /nfs/dbraw/zinc/77/01/23/432770123.db2.gz XEINZGHCYASNRF-BZNIZROVSA-N 1 0 302.378 3.439 20 5 DGBDRO CCC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000266611129 432770762 /nfs/dbraw/zinc/77/07/62/432770762.db2.gz HVCOCEUDKGHQRI-FNORWQNLSA-N 1 0 304.390 3.404 20 5 DGBDRO CC[NH+](CC)C[C@@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266607017 432771154 /nfs/dbraw/zinc/77/11/54/432771154.db2.gz UNRPCGILSXIUFP-CABCVRRESA-N 1 0 305.422 3.320 20 5 DGBDRO CCC[C@H](CCO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000231390807 432732837 /nfs/dbraw/zinc/73/28/37/432732837.db2.gz DBZXYCWDYQYIRX-LLVKDONJSA-N 1 0 300.786 3.137 20 5 DGBDRO CC(C)(C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178429325 432735053 /nfs/dbraw/zinc/73/50/53/432735053.db2.gz MBNWCDCOPQFYSZ-CVEARBPZSA-N 1 0 320.433 3.303 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000267222017 432822978 /nfs/dbraw/zinc/82/29/78/432822978.db2.gz DBRQLSHCNYMSED-QWHCGFSZSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245471680 432836345 /nfs/dbraw/zinc/83/63/45/432836345.db2.gz XYFOMOLFKPPLBW-QLFBSQMISA-N 1 0 305.422 3.366 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000266755482 432785136 /nfs/dbraw/zinc/78/51/36/432785136.db2.gz DWXAOQJIGNDABF-MEBBXXQBSA-N 1 0 322.311 3.257 20 5 DGBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000179006250 432795308 /nfs/dbraw/zinc/79/53/08/432795308.db2.gz LHVIIBYHDWCYKK-AWEZNQCLSA-N 1 0 319.408 3.070 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccccc1-n1cccn1 ZINC000237937902 432806173 /nfs/dbraw/zinc/80/61/73/432806173.db2.gz QDMMCALCZJRJFK-UHFFFAOYSA-N 1 0 308.341 3.070 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cs1 ZINC000237974969 432807281 /nfs/dbraw/zinc/80/72/81/432807281.db2.gz COMNICRVGUHXAN-ZDUSSCGKSA-N 1 0 321.402 3.176 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000267079717 432811127 /nfs/dbraw/zinc/81/11/27/432811127.db2.gz XTCXHTFXQYCJAU-AWEZNQCLSA-N 1 0 321.396 3.042 20 5 DGBDRO CC[C@@H](C)c1nnc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000277431676 432849320 /nfs/dbraw/zinc/84/93/20/432849320.db2.gz NNSUYIXQCFGULV-MNOVXSKESA-N 1 0 303.366 3.077 20 5 DGBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330677226 432923853 /nfs/dbraw/zinc/92/38/53/432923853.db2.gz KYOWVXVBCZBEGF-HNNXBMFYSA-N 1 0 312.797 3.375 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000279099457 432934903 /nfs/dbraw/zinc/93/49/03/432934903.db2.gz OFEHTWBWNBOGGE-BLLLJJGKSA-N 1 0 304.390 3.333 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279100953 432935498 /nfs/dbraw/zinc/93/54/98/432935498.db2.gz OHNGSCLXQMEQEH-DCGLDWPTSA-N 1 0 318.417 3.458 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000289280806 432941144 /nfs/dbraw/zinc/94/11/44/432941144.db2.gz GCQDBNBJPGWVLE-QGZVFWFLSA-N 1 0 311.385 3.412 20 5 DGBDRO C[C@@H](CO)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279223102 432947673 /nfs/dbraw/zinc/94/76/73/432947673.db2.gz ZFCLGAPBXCETFV-WBMJQRKESA-N 1 0 306.406 3.315 20 5 DGBDRO C[C@H](CO)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279223088 432948206 /nfs/dbraw/zinc/94/82/06/432948206.db2.gz ZFCLGAPBXCETFV-BLLLJJGKSA-N 1 0 306.406 3.315 20 5 DGBDRO CC[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000278952526 432920919 /nfs/dbraw/zinc/92/09/19/432920919.db2.gz LLYMVXMUWTYHBW-CJNGLKHVSA-N 1 0 314.389 3.095 20 5 DGBDRO Cc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000161056883 292827318 /nfs/dbraw/zinc/82/73/18/292827318.db2.gz BWBPSHVECWOKHP-IMJJTQAJSA-N 1 0 305.422 3.427 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCSC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000332221266 432987428 /nfs/dbraw/zinc/98/74/28/432987428.db2.gz KHAHFOIHWHMODI-GFCCVEGCSA-N 1 0 310.419 3.178 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331653510 432955656 /nfs/dbraw/zinc/95/56/56/432955656.db2.gz RFJRWUJVLOHWLU-KBPBESRZSA-N 1 0 320.418 3.435 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331653513 432955913 /nfs/dbraw/zinc/95/59/13/432955913.db2.gz RFJRWUJVLOHWLU-KGLIPLIRSA-N 1 0 320.418 3.435 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCCCO ZINC000280193792 433013086 /nfs/dbraw/zinc/01/30/86/433013086.db2.gz VAILHAHBQBAIMR-CYBMUJFWSA-N 1 0 312.435 3.218 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCCCO ZINC000280193794 433014385 /nfs/dbraw/zinc/01/43/85/433014385.db2.gz VAILHAHBQBAIMR-ZDUSSCGKSA-N 1 0 312.435 3.218 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[C@@H](C)O ZINC000341300175 433021739 /nfs/dbraw/zinc/02/17/39/433021739.db2.gz LCJYGZVLKUYRHS-YNEHKIRRSA-N 1 0 312.435 3.215 20 5 DGBDRO CC[N@H+](CCOC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000349856001 433024316 /nfs/dbraw/zinc/02/43/16/433024316.db2.gz UXDRLEKZSKHGQQ-UHFFFAOYSA-N 1 0 304.346 3.323 20 5 DGBDRO CC(=O)c1cc(NCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000341356777 433036777 /nfs/dbraw/zinc/03/67/77/433036777.db2.gz YCDASMFNBVFITD-ZDUSSCGKSA-N 1 0 319.405 3.474 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@](C)(CC)OC)cc1[N+](=O)[O-] ZINC000453308168 433077485 /nfs/dbraw/zinc/07/74/85/433077485.db2.gz WBOGFODDISEURI-MLGOLLRUSA-N 1 0 310.394 3.459 20 5 DGBDRO Cn1ccnc1[C@H]([NH2+]CCC1(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000280558912 433083329 /nfs/dbraw/zinc/08/33/29/433083329.db2.gz KTIRYGHQEWPFIN-OAHLLOKOSA-N 1 0 314.389 3.198 20 5 DGBDRO CC(C)[N@@H+]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000341484675 433086193 /nfs/dbraw/zinc/08/61/93/433086193.db2.gz IMTXCRILRZDFDU-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000354458609 433095722 /nfs/dbraw/zinc/09/57/22/433095722.db2.gz QGYWFENSUBZDBX-CVEARBPZSA-N 1 0 322.405 3.239 20 5 DGBDRO Cc1ccc([C@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000453381075 433134548 /nfs/dbraw/zinc/13/45/48/433134548.db2.gz RDYBBYWOAHQBPQ-WMLDXEAASA-N 1 0 304.390 3.467 20 5 DGBDRO Cc1ccc([C@@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000453381066 433135799 /nfs/dbraw/zinc/13/57/99/433135799.db2.gz RDYBBYWOAHQBPQ-PBHICJAKSA-N 1 0 304.390 3.467 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)C2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000453383773 433140829 /nfs/dbraw/zinc/14/08/29/433140829.db2.gz MMRYQPRGAUYPHV-CVEARBPZSA-N 1 0 304.390 3.068 20 5 DGBDRO [NH3+]C[C@H]1CC[C@@H](Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420280073 433144987 /nfs/dbraw/zinc/14/49/87/433144987.db2.gz UGUFWOKJJMWTEW-IONNQARKSA-N 1 0 304.177 3.441 20 5 DGBDRO CO[C@@H]([C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000453389315 433145048 /nfs/dbraw/zinc/14/50/48/433145048.db2.gz XGXIPXGSEFUXEQ-NVGVWMPQSA-N 1 0 304.390 3.375 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000420277725 433145486 /nfs/dbraw/zinc/14/54/86/433145486.db2.gz ITVVIDPQZHTUHJ-ZJUUUORDSA-N 1 0 315.320 3.126 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000341590735 433151752 /nfs/dbraw/zinc/15/17/52/433151752.db2.gz NDLDCRRYEKWMGS-INIZCTEOSA-N 1 0 314.389 3.349 20 5 DGBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1O ZINC000280593342 433100976 /nfs/dbraw/zinc/10/09/76/433100976.db2.gz XPILNGDDMGDGNX-MRXNPFEDSA-N 1 0 316.357 3.058 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCSC1 ZINC000290926171 433206748 /nfs/dbraw/zinc/20/67/48/433206748.db2.gz RGNWRTZVTDTCRC-SECBINFHSA-N 1 0 307.202 3.497 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCOCC1CC1 ZINC000290831725 433181725 /nfs/dbraw/zinc/18/17/25/433181725.db2.gz IBOAQRHUWFGWOI-UHFFFAOYSA-N 1 0 319.188 3.418 20 5 DGBDRO CC[C@@H](CCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290851867 433190596 /nfs/dbraw/zinc/19/05/96/433190596.db2.gz JRTUEOVDPFNVNU-VIFPVBQESA-N 1 0 321.204 3.400 20 5 DGBDRO CC[N@H+](CC1CCC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361480657 433195098 /nfs/dbraw/zinc/19/50/98/433195098.db2.gz DLJLMIWPTSDDMN-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[N@H+](CC1CCC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361482145 433195157 /nfs/dbraw/zinc/19/51/57/433195157.db2.gz VDCADBQYTOMPES-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1cnc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000453601749 433229289 /nfs/dbraw/zinc/22/92/89/433229289.db2.gz VNFZAFWRFRLMHY-UHFFFAOYSA-N 1 0 314.389 3.149 20 5 DGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447583027 433233456 /nfs/dbraw/zinc/23/34/56/433233456.db2.gz AOYUZRDZDJAHSB-RRQGHBQHSA-N 1 0 304.390 3.377 20 5 DGBDRO CCc1nn(C)cc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447580835 433233898 /nfs/dbraw/zinc/23/38/98/433233898.db2.gz QJQSWFSXNLOEKB-KRWDZBQOSA-N 1 0 314.389 3.058 20 5 DGBDRO Cc1ccc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)cc1[N+](=O)[O-] ZINC000453612331 433234056 /nfs/dbraw/zinc/23/40/56/433234056.db2.gz AXILFHHKJLSTAX-UHFFFAOYSA-N 1 0 316.405 3.295 20 5 DGBDRO CC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447585854 433235459 /nfs/dbraw/zinc/23/54/59/433235459.db2.gz KKDHMPPMOULJCY-UONOGXRCSA-N 1 0 306.410 3.445 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000447585815 433236631 /nfs/dbraw/zinc/23/66/31/433236631.db2.gz LRCRTUDUYYDPKR-ZDUSSCGKSA-N 1 0 302.378 3.002 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1(CO)CCCC1 ZINC000453614206 433239397 /nfs/dbraw/zinc/23/93/97/433239397.db2.gz LORQUHJXLSKQDZ-INIZCTEOSA-N 1 0 324.396 3.401 20 5 DGBDRO CO[C@@H](C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000425466652 433253008 /nfs/dbraw/zinc/25/30/08/433253008.db2.gz BDOCTYBLOWPMGH-WBVHZDCISA-N 1 0 304.390 3.199 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CC1CC1)C1CCC1 ZINC000361583361 433262460 /nfs/dbraw/zinc/26/24/60/433262460.db2.gz LGLUXTPUNWRKBD-UHFFFAOYSA-N 1 0 317.389 3.106 20 5 DGBDRO C[C@@H](CCCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290934378 433211152 /nfs/dbraw/zinc/21/11/52/433211152.db2.gz SKAFCWNDWCMBDY-QMMMGPOBSA-N 1 0 307.177 3.152 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281739330 433366031 /nfs/dbraw/zinc/36/60/31/433366031.db2.gz VKEIKWIXJOILIX-QGZVFWFLSA-N 1 0 315.348 3.412 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1 ZINC000291739085 433329777 /nfs/dbraw/zinc/32/97/77/433329777.db2.gz OSXUYEWMBXGSIH-AWEZNQCLSA-N 1 0 315.348 3.102 20 5 DGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301082201 433407405 /nfs/dbraw/zinc/40/74/05/433407405.db2.gz IPWOHIVYFPKRNS-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCCCCC3)ccc2c1 ZINC000301092075 433408962 /nfs/dbraw/zinc/40/89/62/433408962.db2.gz OACCUPZSIYXCFK-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000301091069 433409668 /nfs/dbraw/zinc/40/96/68/433409668.db2.gz OLQUFEBHMLGPKN-UHFFFAOYSA-N 1 0 321.446 3.368 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000361856602 433425065 /nfs/dbraw/zinc/42/50/65/433425065.db2.gz RIUAULVVCIYVDH-CYBMUJFWSA-N 1 0 322.409 3.063 20 5 DGBDRO CC[N@H+](CCC1CC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000355053938 433438477 /nfs/dbraw/zinc/43/84/77/433438477.db2.gz BPFPXBAYMXXYOJ-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000301174250 433440180 /nfs/dbraw/zinc/44/01/80/433440180.db2.gz FQWPKJUYNKZHPI-UHFFFAOYSA-N 1 0 318.421 3.001 20 5 DGBDRO CC[N@@H+]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301168421 433440974 /nfs/dbraw/zinc/44/09/74/433440974.db2.gz FMWHBHWVEJVRNB-UHFFFAOYSA-N 1 0 317.311 3.146 20 5 DGBDRO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC1CC1 ZINC000355064910 433443959 /nfs/dbraw/zinc/44/39/59/433443959.db2.gz RPMCNYNOPURGJX-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426237402 433445385 /nfs/dbraw/zinc/44/53/85/433445385.db2.gz IKVFAICBNYHAPH-HZPDHXFCSA-N 1 0 322.405 3.117 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000361912627 433449255 /nfs/dbraw/zinc/44/92/55/433449255.db2.gz BSOFVUADIPDLHN-UHFFFAOYSA-N 1 0 312.369 3.432 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000301201368 433450489 /nfs/dbraw/zinc/45/04/89/433450489.db2.gz QIQSKNKEXCGWHI-OKILXGFUSA-N 1 0 320.437 3.468 20 5 DGBDRO CCOc1cc(NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000301200788 433452208 /nfs/dbraw/zinc/45/22/08/433452208.db2.gz QDUNSFLRYHRZAX-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000414197714 433456716 /nfs/dbraw/zinc/45/67/16/433456716.db2.gz ZAGBZRBENUQPAZ-TUVASFSCSA-N 1 0 306.410 3.299 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000301228721 433460724 /nfs/dbraw/zinc/46/07/24/433460724.db2.gz IDIRADMZGMYSFP-MBNYWOFBSA-N 1 0 306.410 3.077 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1csnn1 ZINC000414296239 433519907 /nfs/dbraw/zinc/51/99/07/433519907.db2.gz GHCFUQHJWRKVAU-QWRGUYRKSA-N 1 0 306.391 3.118 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000375691176 433530862 /nfs/dbraw/zinc/53/08/62/433530862.db2.gz WFTBLMWXMFJGGF-INIZCTEOSA-N 1 0 314.341 3.011 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426456224 433500942 /nfs/dbraw/zinc/50/09/42/433500942.db2.gz DBLNPKJHOYLXJO-CJNGLKHVSA-N 1 0 317.389 3.106 20 5 DGBDRO Cc1ccnc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000301310414 433501210 /nfs/dbraw/zinc/50/12/10/433501210.db2.gz ZNBBLYRQZFJHNX-AWEZNQCLSA-N 1 0 318.352 3.152 20 5 DGBDRO Cc1ccnc(NC[C@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000301307576 433501556 /nfs/dbraw/zinc/50/15/56/433501556.db2.gz VRSIITZRSQXEFX-CQSZACIVSA-N 1 0 318.352 3.152 20 5 DGBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C)C1 ZINC000362153917 433551343 /nfs/dbraw/zinc/55/13/43/433551343.db2.gz YVKORNWWPBKISL-YOEHRIQHSA-N 1 0 306.406 3.274 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000339388694 433551429 /nfs/dbraw/zinc/55/14/29/433551429.db2.gz IOEBDHMMCCJGQA-FMFIFOJESA-N 1 0 302.334 3.194 20 5 DGBDRO Cc1cc(NC[C@@H](C2CCCCC2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000301431580 433551755 /nfs/dbraw/zinc/55/17/55/433551755.db2.gz JYRUIJNPBKMTDD-HNNXBMFYSA-N 1 0 306.410 3.221 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)C1 ZINC000301481676 433572934 /nfs/dbraw/zinc/57/29/34/433572934.db2.gz SOZVXTOFARNPLR-LBPRGKRZSA-N 1 0 311.813 3.477 20 5 DGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000301490379 433575840 /nfs/dbraw/zinc/57/58/40/433575840.db2.gz AQYPPKVGEHFGCP-UHFFFAOYSA-N 1 0 303.337 3.278 20 5 DGBDRO CCOc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301516358 433591271 /nfs/dbraw/zinc/59/12/71/433591271.db2.gz GLWNZEZJFSKRJR-TZMCWYRMSA-N 1 0 307.394 3.278 20 5 DGBDRO Cc1cnc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301414179 433542459 /nfs/dbraw/zinc/54/24/59/433542459.db2.gz BIUXWWASZAKPAZ-GFCCVEGCSA-N 1 0 306.410 3.221 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000292308690 433548497 /nfs/dbraw/zinc/54/84/97/433548497.db2.gz DPBLPBHJBUEOHP-BZNIZROVSA-N 1 0 318.398 3.448 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000301628563 433644767 /nfs/dbraw/zinc/64/47/67/433644767.db2.gz IBPNXOLIYQVLHK-HUUCEWRRSA-N 1 0 321.421 3.205 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)OC(C)(C)C ZINC000163607871 292869970 /nfs/dbraw/zinc/86/99/70/292869970.db2.gz GDZLMXWYTAVGPP-CYBMUJFWSA-N 1 0 322.405 3.237 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292846621 433600295 /nfs/dbraw/zinc/60/02/95/433600295.db2.gz BNPHMHWQIHRJRJ-QAPCUYQASA-N 1 0 317.433 3.382 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000342310505 433608716 /nfs/dbraw/zinc/60/87/16/433608716.db2.gz XZGWJQIHAVGTLA-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO Cc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000320317619 292897299 /nfs/dbraw/zinc/89/72/99/292897299.db2.gz GPALZEQWYQPXLP-AWEZNQCLSA-N 1 0 307.369 3.011 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301559373 433611898 /nfs/dbraw/zinc/61/18/98/433611898.db2.gz UDOKEZHPGMIWLA-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1COc2ccccc21 ZINC000342420323 433682263 /nfs/dbraw/zinc/68/22/63/433682263.db2.gz KNBDAFNTGROQSS-ZKKXHLJNSA-N 1 0 310.353 3.374 20 5 DGBDRO CC(C)[C@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000414525352 433687425 /nfs/dbraw/zinc/68/74/25/433687425.db2.gz JKNWMLUQXPVYHT-MRXNPFEDSA-N 1 0 304.390 3.232 20 5 DGBDRO CC(C)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000356771836 433688568 /nfs/dbraw/zinc/68/85/68/433688568.db2.gz NWQCODCGSPYXAE-ZDUSSCGKSA-N 1 0 321.421 3.177 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000356773336 433692094 /nfs/dbraw/zinc/69/20/94/433692094.db2.gz CHIWUAATTXKVSQ-GUTXKFCHSA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000366883447 293000181 /nfs/dbraw/zinc/00/01/81/293000181.db2.gz MCLJOORHKLECGY-ZBFHGGJFSA-N 1 0 314.389 3.059 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000283266383 433702310 /nfs/dbraw/zinc/70/23/10/433702310.db2.gz WKADJBVLAMASDH-HNNXBMFYSA-N 1 0 321.396 3.042 20 5 DGBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000356798660 433698992 /nfs/dbraw/zinc/69/89/92/433698992.db2.gz RILUTDJCCXDPNB-VHSXEESVSA-N 1 0 317.311 3.142 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000301736531 433699506 /nfs/dbraw/zinc/69/95/06/433699506.db2.gz HTKVEVCANKWJHN-NSHDSACASA-N 1 0 310.785 3.072 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301760551 433711479 /nfs/dbraw/zinc/71/14/79/433711479.db2.gz BBNKMJALPQLZEW-LLVKDONJSA-N 1 0 313.348 3.405 20 5 DGBDRO COc1ccccc1CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449061842 433719168 /nfs/dbraw/zinc/71/91/68/433719168.db2.gz HSRWOEQSOKUJMA-AWEZNQCLSA-N 1 0 314.385 3.367 20 5 DGBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(C2([NH3+])CCCC2)no1 ZINC000414630022 433758853 /nfs/dbraw/zinc/75/88/53/433758853.db2.gz SKPWXBMOEOWWMV-KHPPLWFESA-N 1 0 314.345 3.266 20 5 DGBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C ZINC000293503234 433763675 /nfs/dbraw/zinc/76/36/75/433763675.db2.gz UPKFFBUWEVHGBO-VXGBXAGGSA-N 1 0 301.346 3.133 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000293516898 433764624 /nfs/dbraw/zinc/76/46/24/433764624.db2.gz ARMPJLGTVKHFKL-QGZVFWFLSA-N 1 0 316.401 3.294 20 5 DGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283427367 433722948 /nfs/dbraw/zinc/72/29/48/433722948.db2.gz WQCDPFIBJIZNHK-TZMCWYRMSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000430204620 433787242 /nfs/dbraw/zinc/78/72/42/433787242.db2.gz RWKHAHVDPAJZMP-GDBMZVCRSA-N 1 0 322.430 3.463 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000283848998 433787401 /nfs/dbraw/zinc/78/74/01/433787401.db2.gz UAFZWGQWYKKZHN-AWEZNQCLSA-N 1 0 305.378 3.084 20 5 DGBDRO CSC[C@@H]1CCCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283988526 433812449 /nfs/dbraw/zinc/81/24/49/433812449.db2.gz JLPWRMPTWSJISH-VIFPVBQESA-N 1 0 302.346 3.200 20 5 DGBDRO CC[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000302142709 433814163 /nfs/dbraw/zinc/81/41/63/433814163.db2.gz FWWFOFXILUWPDE-TZMCWYRMSA-N 1 0 315.373 3.455 20 5 DGBDRO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293882927 533693553 /nfs/dbraw/zinc/69/35/53/533693553.db2.gz VNCOWUNVPIRXGZ-RYUDHWBXSA-N 1 0 303.362 3.442 20 5 DGBDRO CC(C)(C)c1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000284284926 433875805 /nfs/dbraw/zinc/87/58/05/433875805.db2.gz HUMOKJSRUDOTHC-UHFFFAOYSA-N 1 0 314.389 3.015 20 5 DGBDRO Cc1cc(N(C)CC[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302705152 433833679 /nfs/dbraw/zinc/83/36/79/433833679.db2.gz JKVQEMYIBQEGNW-AWEZNQCLSA-N 1 0 315.373 3.457 20 5 DGBDRO CCC([NH3+])(CC)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414799315 433845002 /nfs/dbraw/zinc/84/50/02/433845002.db2.gz GTIWTJMUAVSBIL-UHFFFAOYSA-N 1 0 317.389 3.462 20 5 DGBDRO C[C@@H]1[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCN1C ZINC000433229407 433846015 /nfs/dbraw/zinc/84/60/15/433846015.db2.gz RDSMPRQXZZDQBH-CSMYWGQOSA-N 1 0 317.433 3.390 20 5 DGBDRO CCC(CC)[N@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344028265 433846151 /nfs/dbraw/zinc/84/61/51/433846151.db2.gz MRNYRJOZKKVRBH-UHFFFAOYSA-N 1 0 307.394 3.068 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@@]2(C)CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433297776 433849111 /nfs/dbraw/zinc/84/91/11/433849111.db2.gz MFTUPJPWTCOGAS-NVXWUHKLSA-N 1 0 304.390 3.476 20 5 DGBDRO CCCC[C@H](C[NH3+])NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414812375 433851850 /nfs/dbraw/zinc/85/18/50/433851850.db2.gz KVUPKVVPSMCMES-CQSZACIVSA-N 1 0 317.389 3.462 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N)c1ccccc1 ZINC000414827719 433867721 /nfs/dbraw/zinc/86/77/21/433867721.db2.gz HOYVEPHKBPGQEQ-PBHICJAKSA-N 1 0 313.401 3.206 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)C1CCCCC1 ZINC000414831237 433869985 /nfs/dbraw/zinc/86/99/85/433869985.db2.gz CDFQTHRALLAIHD-WMLDXEAASA-N 1 0 319.449 3.413 20 5 DGBDRO C[NH+](C)C1(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CCCCC1 ZINC000436270156 433923866 /nfs/dbraw/zinc/92/38/66/433923866.db2.gz NKFSXGKOQNGOOG-UHFFFAOYSA-N 1 0 318.421 3.239 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCC[NH2+]2)s1 ZINC000414853340 433880816 /nfs/dbraw/zinc/88/08/16/433880816.db2.gz XOJVPNXWGSMBAQ-LBPRGKRZSA-N 1 0 317.414 3.165 20 5 DGBDRO CN1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000436410495 433961760 /nfs/dbraw/zinc/96/17/60/433961760.db2.gz JHIIDNKJTSWEQM-LBPRGKRZSA-N 1 0 317.414 3.055 20 5 DGBDRO Cc1nc(CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285403017 433938608 /nfs/dbraw/zinc/93/86/08/433938608.db2.gz UDVJMKFFSFCIMU-UHFFFAOYSA-N 1 0 305.403 3.077 20 5 DGBDRO CCC[C@@H]([NH2+]CCc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000401762008 293868956 /nfs/dbraw/zinc/86/89/56/293868956.db2.gz CUOGKMJJIAIABC-MRXNPFEDSA-N 1 0 302.378 3.002 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000357552074 434074561 /nfs/dbraw/zinc/07/45/61/434074561.db2.gz JZYWHUZWROYFPM-KBPBESRZSA-N 1 0 319.405 3.495 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450278128 434077087 /nfs/dbraw/zinc/07/70/87/434077087.db2.gz PAFMWFBDBHBPFS-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000450257969 434060501 /nfs/dbraw/zinc/06/05/01/434060501.db2.gz YJOCRMYECBBMGR-ZBFHGGJFSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000459419033 293975017 /nfs/dbraw/zinc/97/50/17/293975017.db2.gz GXPRTQTXCQTWBX-LBPRGKRZSA-N 1 0 312.373 3.421 20 5 DGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000498466361 294061860 /nfs/dbraw/zinc/06/18/60/294061860.db2.gz UXHIFVIXEQLMHC-MRXNPFEDSA-N 1 0 321.421 3.081 20 5 DGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500125951 294104917 /nfs/dbraw/zinc/10/49/17/294104917.db2.gz QLVUJBGHSSXIBX-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(=O)c1cc(NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000286000303 434131892 /nfs/dbraw/zinc/13/18/92/434131892.db2.gz DGQHXSHBMJLPKS-UHFFFAOYSA-N 1 0 305.378 3.082 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000507420643 294297702 /nfs/dbraw/zinc/29/77/02/294297702.db2.gz JQPHFMVDDOBOOA-IJEWVQPXSA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cccc1[N+](=O)[O-] ZINC000340452713 434139486 /nfs/dbraw/zinc/13/94/86/434139486.db2.gz UNAJEKWIYJUKJD-RYUDHWBXSA-N 1 0 301.346 3.416 20 5 DGBDRO CCC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOCC1 ZINC000294768560 434142465 /nfs/dbraw/zinc/14/24/65/434142465.db2.gz NCESTBXMRKOSBO-GFCCVEGCSA-N 1 0 307.394 3.034 20 5 DGBDRO CC(C)c1ccc(CN2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000353470792 434155907 /nfs/dbraw/zinc/15/59/07/434155907.db2.gz LSQYQHZLPPYZIM-UHFFFAOYSA-N 1 0 317.433 3.388 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000512884292 294456038 /nfs/dbraw/zinc/45/60/38/294456038.db2.gz CTHOHCQDLHQYIW-ZFWWWQNUSA-N 1 0 306.406 3.480 20 5 DGBDRO CCOc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000316239213 434183766 /nfs/dbraw/zinc/18/37/66/434183766.db2.gz PXAAWZNCFOANDY-CYBMUJFWSA-N 1 0 307.394 3.136 20 5 DGBDRO CO[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000295127797 434220885 /nfs/dbraw/zinc/22/08/85/434220885.db2.gz YCIYJZWKABCKAH-CQSZACIVSA-N 1 0 312.797 3.495 20 5 DGBDRO COc1ccc(Cn2c(C)[nH+]c3c2CCCC3)cc1[N+](=O)[O-] ZINC000317637657 434204554 /nfs/dbraw/zinc/20/45/54/434204554.db2.gz WLVPRWJPYWCSEE-UHFFFAOYSA-N 1 0 301.346 3.035 20 5 DGBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ccc([N+](=O)[O-])nc3)cccc21 ZINC000450487967 434221152 /nfs/dbraw/zinc/22/11/52/434221152.db2.gz FNBGRJXTCIZBSN-AWEZNQCLSA-N 1 0 314.345 3.119 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000315567264 434167602 /nfs/dbraw/zinc/16/76/02/434167602.db2.gz KUNXLCGRHIJDPF-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000321222444 434245790 /nfs/dbraw/zinc/24/57/90/434245790.db2.gz ZSMDEZPCBBTPKT-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO COC[C@H]1CCCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000364175614 434255417 /nfs/dbraw/zinc/25/54/17/434255417.db2.gz NRXNKJVOPVABDT-LBPRGKRZSA-N 1 0 312.797 3.497 20 5 DGBDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000322241608 434260494 /nfs/dbraw/zinc/26/04/94/434260494.db2.gz OHGHESIYNQBKRG-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nccs1 ZINC000515866859 294581024 /nfs/dbraw/zinc/58/10/24/294581024.db2.gz DBIBUFLSXAMWPG-GWCFXTLKSA-N 1 0 303.387 3.432 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000320402862 434236761 /nfs/dbraw/zinc/23/67/61/434236761.db2.gz WAVRNMBJMMGFAV-CYBMUJFWSA-N 1 0 314.389 3.285 20 5 DGBDRO CCc1ccc([C@@H](NCC[C@H](C)[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423225610 434293359 /nfs/dbraw/zinc/29/33/59/434293359.db2.gz NLZBTELXVGBDCR-SJCJKPOMSA-N 1 0 317.389 3.167 20 5 DGBDRO C[C@H](CCC[NH3+])NC(=O)c1cc2ccccc2c2cccnc12 ZINC000295309588 434301566 /nfs/dbraw/zinc/30/15/66/434301566.db2.gz VWVVTHHCXHFTSY-CYBMUJFWSA-N 1 0 307.397 3.245 20 5 DGBDRO Cn1cc(C[N@@H+]2CCC23CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353666127 434318142 /nfs/dbraw/zinc/31/81/42/434318142.db2.gz NHOPBEGNQXSIKK-UHFFFAOYSA-N 1 0 312.373 3.124 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C1CCC1)CCCC2 ZINC000417353566 434363298 /nfs/dbraw/zinc/36/32/98/434363298.db2.gz XMVLYLYHWBJSFI-DLBZAZTESA-N 1 0 304.390 3.113 20 5 DGBDRO CN(C)C1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000417360651 434366220 /nfs/dbraw/zinc/36/62/20/434366220.db2.gz XTIJARPNDUFFFL-HNNXBMFYSA-N 1 0 303.406 3.001 20 5 DGBDRO CCOc1ccc([C@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423327091 434367226 /nfs/dbraw/zinc/36/72/26/434367226.db2.gz CUWWETNUCUGSRV-GUYCJALGSA-N 1 0 321.421 3.034 20 5 DGBDRO CCOc1ccc([C@@H](C)NCC([NH3+])(CC)CC)cc1[N+](=O)[O-] ZINC000423288692 434343800 /nfs/dbraw/zinc/34/38/00/434343800.db2.gz UJZAKZQDVCJVIM-GFCCVEGCSA-N 1 0 309.410 3.162 20 5 DGBDRO CSC[C@H](CCO)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313336 434350012 /nfs/dbraw/zinc/35/00/12/434350012.db2.gz PCIFMFQPVJNYAD-XJKSGUPXSA-N 1 0 324.446 3.066 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358159693 434358047 /nfs/dbraw/zinc/35/80/47/434358047.db2.gz RHYSMLYVKPZWKB-ZBFHGGJFSA-N 1 0 319.405 3.035 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000295920241 434443880 /nfs/dbraw/zinc/44/38/80/434443880.db2.gz DYVHQORPQPBMCO-TWJWRFFLSA-N 1 0 320.389 3.223 20 5 DGBDRO Cc1cc(N[C@@H]2CS[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000397818391 434444791 /nfs/dbraw/zinc/44/47/91/434444791.db2.gz SMMPWKQOLYOQKQ-MNOVXSKESA-N 1 0 303.387 3.179 20 5 DGBDRO Cc1c([C@H](C)NC[C@@H]2[NH2+]CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000423401274 434406069 /nfs/dbraw/zinc/40/60/69/434406069.db2.gz XNQAMMYPKZEAMU-BBRMVZONSA-N 1 0 305.422 3.332 20 5 DGBDRO C[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000397410329 434434691 /nfs/dbraw/zinc/43/46/91/434434691.db2.gz QQAPDMXTIIKPFJ-NTZNESFSSA-N 1 0 311.813 3.053 20 5 DGBDRO CC1(C)CCCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000438370942 434468536 /nfs/dbraw/zinc/46/85/36/434468536.db2.gz KSUBEQFPFJSWEO-UHFFFAOYSA-N 1 0 320.389 3.473 20 5 DGBDRO CO[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000296022238 434477253 /nfs/dbraw/zinc/47/72/53/434477253.db2.gz NDBNWDZEWPADBZ-CQSZACIVSA-N 1 0 314.332 3.120 20 5 DGBDRO CC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000360016557 434477869 /nfs/dbraw/zinc/47/78/69/434477869.db2.gz NULJHKDXUIFKNB-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000296047601 434488970 /nfs/dbraw/zinc/48/89/70/434488970.db2.gz FOHJVPVXXYNUAK-YUELXQCFSA-N 1 0 322.792 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000296047597 434489511 /nfs/dbraw/zinc/48/95/11/434489511.db2.gz FOHJVPVXXYNUAK-NWANDNLSSA-N 1 0 322.792 3.295 20 5 DGBDRO Cc1cc(N2CC[C@@H](CCCO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450960466 434507677 /nfs/dbraw/zinc/50/76/77/434507677.db2.gz MPZGTRRYPQGJHS-CYBMUJFWSA-N 1 0 315.373 3.050 20 5 DGBDRO Cc1ccnc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000408174047 434548914 /nfs/dbraw/zinc/54/89/14/434548914.db2.gz FZNAEFYELVQXGL-KFWWJZLASA-N 1 0 318.421 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000348946364 434561028 /nfs/dbraw/zinc/56/10/28/434561028.db2.gz FIWXAKYPGVOOBW-KRWDZBQOSA-N 1 0 304.390 3.028 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCO)CC1 ZINC000526063598 295054520 /nfs/dbraw/zinc/05/45/20/295054520.db2.gz XYXDKTWTFBROTO-SDNWHVSQSA-N 1 0 304.390 3.093 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC12CCCC2 ZINC000451462722 434569578 /nfs/dbraw/zinc/56/95/78/434569578.db2.gz WFLWLPCHLIRRMP-AWEZNQCLSA-N 1 0 317.389 3.154 20 5 DGBDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000418067660 434576791 /nfs/dbraw/zinc/57/67/91/434576791.db2.gz BTCGQMXTCMPVKY-OAHLLOKOSA-N 1 0 314.389 3.016 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000360340312 434581246 /nfs/dbraw/zinc/58/12/46/434581246.db2.gz YHFVMLCMWWUZPU-XJKCOSOUSA-N 1 0 319.405 3.338 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(C)CCCC[C@H]1C ZINC000459617589 434632927 /nfs/dbraw/zinc/63/29/27/434632927.db2.gz RDMSUNFSKYGPGW-CXAGYDPISA-N 1 0 319.405 3.400 20 5 DGBDRO C[NH+](C)CC(C)(C)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000459557938 434606450 /nfs/dbraw/zinc/60/64/50/434606450.db2.gz KGHCNMUCUIOILT-UHFFFAOYSA-N 1 0 319.327 3.043 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)CC ZINC000349249973 434648750 /nfs/dbraw/zinc/64/87/50/434648750.db2.gz WWCGIAAKPBDZKP-ZDUSSCGKSA-N 1 0 311.451 3.007 20 5 DGBDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000424190109 434652968 /nfs/dbraw/zinc/65/29/68/434652968.db2.gz OTIQVWDDFGJBME-UHFFFAOYSA-N 1 0 322.405 3.442 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000360668660 434665556 /nfs/dbraw/zinc/66/55/56/434665556.db2.gz IUHJKTWSSFNIMM-SGMGOOAPSA-N 1 0 306.410 3.077 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1O ZINC000349341329 434680229 /nfs/dbraw/zinc/68/02/29/434680229.db2.gz AUXJEGYZGFBMDZ-BLLLJJGKSA-N 1 0 316.357 3.058 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000459733531 434684011 /nfs/dbraw/zinc/68/40/11/434684011.db2.gz GPXUKXUKARHJBB-HOTGVXAUSA-N 1 0 320.389 3.041 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000459786235 434719075 /nfs/dbraw/zinc/71/90/75/434719075.db2.gz DDWHXVDVHVDCSM-ZWKOTPCHSA-N 1 0 318.417 3.010 20 5 DGBDRO CCC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCC1 ZINC000459801264 434727894 /nfs/dbraw/zinc/72/78/94/434727894.db2.gz KUHVFXWQDAPQPT-AWEZNQCLSA-N 1 0 319.405 3.400 20 5 DGBDRO C[C@H](c1ccco1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411199058 434744881 /nfs/dbraw/zinc/74/48/81/434744881.db2.gz YRNDGRQFTVWKLF-GFCCVEGCSA-N 1 0 317.345 3.209 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000441481437 434764513 /nfs/dbraw/zinc/76/45/13/434764513.db2.gz NRBXMNSQDKYBPC-KBPBESRZSA-N 1 0 300.362 3.189 20 5 DGBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC1(C)C ZINC000419323038 434772468 /nfs/dbraw/zinc/77/24/68/434772468.db2.gz TVVHDXSKAXBPKN-UONOGXRCSA-N 1 0 319.405 3.256 20 5 DGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(C2CC2)cc1 ZINC000419334687 434773535 /nfs/dbraw/zinc/77/35/35/434773535.db2.gz GXURPTGAHMEMBP-GFCCVEGCSA-N 1 0 300.362 3.020 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419373861 434781940 /nfs/dbraw/zinc/78/19/40/434781940.db2.gz OUQHZWWJCDRUIN-OBJOEFQTSA-N 1 0 319.405 3.208 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419372727 434782065 /nfs/dbraw/zinc/78/20/65/434782065.db2.gz MWPZYELLZMMWPM-BFHYXJOUSA-N 1 0 319.405 3.208 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419377985 434782252 /nfs/dbraw/zinc/78/22/52/434782252.db2.gz VGABVIHVSHLAQV-MJBXVCDLSA-N 1 0 319.405 3.208 20 5 DGBDRO COC[C@H]1CCCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000372095373 434796998 /nfs/dbraw/zinc/79/69/98/434796998.db2.gz NYAONGACLDFDDG-HNNXBMFYSA-N 1 0 322.405 3.112 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412048941 434862761 /nfs/dbraw/zinc/86/27/61/434862761.db2.gz VNZOLEWWHPSHPM-ZDUSSCGKSA-N 1 0 319.405 3.352 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000453205340 434829526 /nfs/dbraw/zinc/82/95/26/434829526.db2.gz WRGDLBGPFMPCMD-KBPBESRZSA-N 1 0 310.781 3.295 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000361238235 434838620 /nfs/dbraw/zinc/83/86/20/434838620.db2.gz SRJHOTMTCROPSF-HZPDHXFCSA-N 1 0 322.405 3.285 20 5 DGBDRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)OC ZINC000453241006 434839324 /nfs/dbraw/zinc/83/93/24/434839324.db2.gz CVSTYXKAYUJRTH-JSGCOSHPSA-N 1 0 310.394 3.459 20 5 DGBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000411888053 434841646 /nfs/dbraw/zinc/84/16/46/434841646.db2.gz DAQWSGRAVLAXEB-SJORKVTESA-N 1 0 316.332 3.136 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)C[C@H]1C ZINC000412037478 434858493 /nfs/dbraw/zinc/85/84/93/434858493.db2.gz HTMKGPITFUUNEU-CYBMUJFWSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000461959521 434894715 /nfs/dbraw/zinc/89/47/15/434894715.db2.gz SXXPFZDRUASPIA-ZDUSSCGKSA-N 1 0 309.385 3.432 20 5 DGBDRO CO[C@@](C)(C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462912109 434937360 /nfs/dbraw/zinc/93/73/60/434937360.db2.gz ISJWACWVDFERKX-GQPJMJRUSA-N 1 0 304.390 3.403 20 5 DGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463029240 434941454 /nfs/dbraw/zinc/94/14/54/434941454.db2.gz OASLTWNSMLMQLT-HZPDHXFCSA-N 1 0 306.406 3.319 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C23CCC[NH+]2CCC3)n1 ZINC000574386054 434974852 /nfs/dbraw/zinc/97/48/52/434974852.db2.gz CUEAOUGGZGIPMO-UHFFFAOYSA-N 1 0 314.345 3.038 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000522417774 434922976 /nfs/dbraw/zinc/92/29/76/434922976.db2.gz PENULMWGYZKRIP-AWEZNQCLSA-N 1 0 306.410 3.365 20 5 DGBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492414614 434977811 /nfs/dbraw/zinc/97/78/11/434977811.db2.gz BQVZZZCWLBNWCK-OAHLLOKOSA-N 1 0 312.797 3.375 20 5 DGBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C)cc1 ZINC000530905014 435058840 /nfs/dbraw/zinc/05/88/40/435058840.db2.gz GQQVEFQAHVQIJN-UHFFFAOYSA-N 1 0 302.378 3.012 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000531704542 435111925 /nfs/dbraw/zinc/11/19/25/435111925.db2.gz ZJSLBIOXJZSDSS-CYBMUJFWSA-N 1 0 300.358 3.246 20 5 DGBDRO Cc1nccn1CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531955836 435128746 /nfs/dbraw/zinc/12/87/46/435128746.db2.gz BFFFAYDWHKCIEG-CYBMUJFWSA-N 1 0 302.378 3.149 20 5 DGBDRO CC(C)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CC1 ZINC000532664971 435186013 /nfs/dbraw/zinc/18/60/13/435186013.db2.gz OLUCZFQGEFPAQB-UHFFFAOYSA-N 1 0 316.361 3.265 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000579533215 435161140 /nfs/dbraw/zinc/16/11/40/435161140.db2.gz LTOAXVNEVSNIQY-HQPKTYMTSA-N 1 0 305.422 3.318 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000532490837 435170437 /nfs/dbraw/zinc/17/04/37/435170437.db2.gz VTADPLJBHBLFLE-LBPRGKRZSA-N 1 0 310.394 3.349 20 5 DGBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532584664 435178346 /nfs/dbraw/zinc/17/83/46/435178346.db2.gz RIJGLUCFGAOTFQ-DOMZBBRYSA-N 1 0 319.405 3.094 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1(C)C ZINC000561655468 435227771 /nfs/dbraw/zinc/22/77/71/435227771.db2.gz DMAPSRFYFCRCNZ-ASJVFLTPSA-N 1 0 304.390 3.257 20 5 DGBDRO CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000533435449 435234651 /nfs/dbraw/zinc/23/46/51/435234651.db2.gz BIPNGNNRWZXUAT-AWEZNQCLSA-N 1 0 319.405 3.354 20 5 DGBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000534022894 435264830 /nfs/dbraw/zinc/26/48/30/435264830.db2.gz YPASZQFEHGJUOX-RHSMWYFYSA-N 1 0 320.389 3.115 20 5 DGBDRO CC(C)(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000478052038 435289438 /nfs/dbraw/zinc/28/94/38/435289438.db2.gz FGCICJUDJYNYLS-UHFFFAOYSA-N 1 0 316.405 3.340 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000480005088 435360698 /nfs/dbraw/zinc/36/06/98/435360698.db2.gz FYOMBFVCYXPWGO-AAEUAGOBSA-N 1 0 305.378 3.082 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567887389 435364139 /nfs/dbraw/zinc/36/41/39/435364139.db2.gz JJDQHORSBZNHHU-KSXVNBEGSA-N 1 0 316.401 3.499 20 5 DGBDRO C[N@H+](CCOc1cccc(F)c1)CCc1ccccc1[N+](=O)[O-] ZINC000511071228 435313045 /nfs/dbraw/zinc/31/30/45/435313045.db2.gz BBSHLIHDVSBSDW-UHFFFAOYSA-N 1 0 318.348 3.287 20 5 DGBDRO COc1ccc(C2([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000537057964 435423683 /nfs/dbraw/zinc/42/36/83/435423683.db2.gz BUOBZABKVHRYBC-UHFFFAOYSA-N 1 0 312.369 3.425 20 5 DGBDRO COc1ccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000514952828 435451891 /nfs/dbraw/zinc/45/18/91/435451891.db2.gz RSJHCFRZAWGOOX-KRWDZBQOSA-N 1 0 312.369 3.423 20 5 DGBDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537967001 435478836 /nfs/dbraw/zinc/47/88/36/435478836.db2.gz PGISHYIRMWBVHA-ACJLOTCBSA-N 1 0 312.369 3.497 20 5 DGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481411849 435425929 /nfs/dbraw/zinc/42/59/29/435425929.db2.gz KWVSBVWBTFLQLI-JSGCOSHPSA-N 1 0 308.378 3.103 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000514827399 435440728 /nfs/dbraw/zinc/44/07/28/435440728.db2.gz WZTBYQZBPWFSNE-CKEIUWERSA-N 1 0 317.433 3.292 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000481755795 435441170 /nfs/dbraw/zinc/44/11/70/435441170.db2.gz LERSNUMVAMEBSJ-DLBZAZTESA-N 1 0 322.405 3.157 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1(COC)CC1 ZINC000537447560 435443471 /nfs/dbraw/zinc/44/34/71/435443471.db2.gz ADZRGMOCIMHYNZ-GFCCVEGCSA-N 1 0 310.419 3.234 20 5 DGBDRO C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023787 435511075 /nfs/dbraw/zinc/51/10/75/435511075.db2.gz AHCRXIFDEIKCGJ-KSSFIOAISA-N 1 0 317.433 3.294 20 5 DGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000538725760 435516757 /nfs/dbraw/zinc/51/67/57/435516757.db2.gz VKUQJYFVYRRINF-YPMHNXCESA-N 1 0 308.378 3.232 20 5 DGBDRO Cc1nc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)o1 ZINC000538986425 435534347 /nfs/dbraw/zinc/53/43/47/435534347.db2.gz VWWYZALQNIRZRH-LLVKDONJSA-N 1 0 303.362 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1 ZINC000515444415 435483145 /nfs/dbraw/zinc/48/31/45/435483145.db2.gz DKMOLSDZPCSDLQ-SFHVURJKSA-N 1 0 323.396 3.232 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000539506553 435557143 /nfs/dbraw/zinc/55/71/43/435557143.db2.gz AYLKHRNGOQTETE-CJNGLKHVSA-N 1 0 306.406 3.351 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000539297930 435544936 /nfs/dbraw/zinc/54/49/36/435544936.db2.gz WOMKUSWGVUQSKI-BJJXKVORSA-N 1 0 322.405 3.459 20 5 DGBDRO CC(C)[N@H+](C)CCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000517948203 435619347 /nfs/dbraw/zinc/61/93/47/435619347.db2.gz RDFRWBAFHOCKJI-ZDUSSCGKSA-N 1 0 319.327 3.128 20 5 DGBDRO CC(C)[NH+]1CCC(N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000518215153 435629188 /nfs/dbraw/zinc/62/91/88/435629188.db2.gz NIKYHAYHNAIICI-INIZCTEOSA-N 1 0 303.406 3.045 20 5 DGBDRO CC[C@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000488031252 435634074 /nfs/dbraw/zinc/63/40/74/435634074.db2.gz KNRQOIOFCKOJBR-UKRRQHHQSA-N 1 0 321.421 3.201 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+]([C@H]3CCCC[C@H]3O)C2)cc1 ZINC000570670066 435640959 /nfs/dbraw/zinc/64/09/59/435640959.db2.gz DTGWJVHCJIPKHQ-HYVNUMGLSA-N 1 0 304.390 3.078 20 5 DGBDRO CO[C@@H]1CCC[C@H]1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000541191015 435642215 /nfs/dbraw/zinc/64/22/15/435642215.db2.gz ZSINFXBNRZFJQO-YVEFUNNKSA-N 1 0 315.373 3.100 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488747841 435642496 /nfs/dbraw/zinc/64/24/96/435642496.db2.gz OPTRBRCGUFZZET-ZDUSSCGKSA-N 1 0 303.406 3.214 20 5 DGBDRO CC[N@H+](CCNc1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000491599205 435778502 /nfs/dbraw/zinc/77/85/02/435778502.db2.gz PAQRNAQSDAUEOJ-UHFFFAOYSA-N 1 0 305.300 3.281 20 5 DGBDRO Cc1ccnc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000408174052 302271520 /nfs/dbraw/zinc/27/15/20/302271520.db2.gz FZNAEFYELVQXGL-ZNMIVQPWSA-N 1 0 318.421 3.140 20 5 DGBDRO Cc1cnc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000408241121 302350120 /nfs/dbraw/zinc/35/01/20/302350120.db2.gz SQWHBIIZNBAHQX-ZNMIVQPWSA-N 1 0 318.421 3.140 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000432309820 304805210 /nfs/dbraw/zinc/80/52/10/304805210.db2.gz CDFALLAYUOGREQ-GFCCVEGCSA-N 1 0 309.797 3.313 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000530340414 313359811 /nfs/dbraw/zinc/35/98/11/313359811.db2.gz IMJPMZCKGPWZKD-NTWITZMVSA-N 1 0 304.390 3.091 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C2CCC1CC2 ZINC000532466970 313552196 /nfs/dbraw/zinc/55/21/96/313552196.db2.gz YYVQVYVFFJDHRJ-QFWMXSHPSA-N 1 0 314.345 3.333 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000533527081 313626124 /nfs/dbraw/zinc/62/61/24/313626124.db2.gz SQBXZUHIFLTURB-UHFFFAOYSA-N 1 0 316.332 3.392 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000537028639 313794846 /nfs/dbraw/zinc/79/48/46/313794846.db2.gz IPXJYWCZBXPBDA-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000537963417 313841890 /nfs/dbraw/zinc/84/18/90/313841890.db2.gz KOYPVLIPSLZEDF-SRABZTEZSA-N 1 0 318.417 3.463 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCC(F)(F)F ZINC000537965432 313842812 /nfs/dbraw/zinc/84/28/12/313842812.db2.gz LLUMCVLGQQSAFT-SNVBAGLBSA-N 1 0 306.284 3.133 20 5 DGBDRO CO[C@]1(C)C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1(C)C ZINC000540629679 313969817 /nfs/dbraw/zinc/96/98/17/313969817.db2.gz MYGQYNHYXVPRFE-ZKVFWIFDSA-N 1 0 304.390 3.401 20 5 DGBDRO CC[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000542137298 314057297 /nfs/dbraw/zinc/05/72/97/314057297.db2.gz FKVHUWAFBQBQBM-CQSZACIVSA-N 1 0 315.373 3.457 20 5 DGBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000542977366 314109416 /nfs/dbraw/zinc/10/94/16/314109416.db2.gz FRULKGSHWKNCMR-QLFBSQMISA-N 1 0 304.390 3.484 20 5 DGBDRO COC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000544424291 314192314 /nfs/dbraw/zinc/19/23/14/314192314.db2.gz JMDQZIJIWLRABK-INIZCTEOSA-N 1 0 320.389 3.196 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C(C)(C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000546703258 314323241 /nfs/dbraw/zinc/32/32/41/314323241.db2.gz MLOBADOJTVEQEW-UHFFFAOYSA-N 1 0 316.405 3.477 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCCO1 ZINC000550937737 314545758 /nfs/dbraw/zinc/54/57/58/314545758.db2.gz LQKSGUJMHBWCFG-RHSMWYFYSA-N 1 0 306.406 3.465 20 5 DGBDRO CCCC[N@H+](CCCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000562902105 315060263 /nfs/dbraw/zinc/06/02/63/315060263.db2.gz NEFXRYZKKYRMBT-NTCAYCPXSA-N 1 0 306.406 3.483 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOc1cccc(F)c1 ZINC000563634812 315129141 /nfs/dbraw/zinc/12/91/41/315129141.db2.gz FIBPZNOXYZDAJR-INIZCTEOSA-N 1 0 316.332 3.390 20 5 DGBDRO C[C@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000564225100 315163608 /nfs/dbraw/zinc/16/36/08/315163608.db2.gz CPUNSEYWJIKLHG-BPQIPLTHSA-N 1 0 316.401 3.377 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000564593436 315185116 /nfs/dbraw/zinc/18/51/16/315185116.db2.gz LGNKAPCDQYJWFR-NEPJUHHUSA-N 1 0 301.346 3.416 20 5 DGBDRO Cc1nccn1CCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217502 315242961 /nfs/dbraw/zinc/24/29/61/315242961.db2.gz IICKLVJFPLHJKU-INIZCTEOSA-N 1 0 314.389 3.157 20 5 DGBDRO CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565476563 315264449 /nfs/dbraw/zinc/26/44/49/315264449.db2.gz KWHNCYOYJGQJAN-HOCLYGCPSA-N 1 0 322.405 3.059 20 5 DGBDRO CCCC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000566063829 315308446 /nfs/dbraw/zinc/30/84/46/315308446.db2.gz MYJJMTPXFKVYCU-UHFFFAOYSA-N 1 0 319.405 3.483 20 5 DGBDRO Cc1[nH+]c2c(n1CCOc1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000570060082 315622876 /nfs/dbraw/zinc/62/28/76/315622876.db2.gz FPFMGSLJQQTOIW-UHFFFAOYSA-N 1 0 301.346 3.058 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000573137678 315843243 /nfs/dbraw/zinc/84/32/43/315843243.db2.gz WAFFDDKENRUOMP-PVUWLOKVSA-N 1 0 302.374 3.129 20 5 DGBDRO Cc1ccccc1[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000180083787 323220724 /nfs/dbraw/zinc/22/07/24/323220724.db2.gz GMQYEDHPKHWPJU-INIZCTEOSA-N 1 0 316.405 3.477 20 5 DGBDRO CC(C)(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(F)c1 ZINC000181056090 323245419 /nfs/dbraw/zinc/24/54/19/323245419.db2.gz OLWZCKYUGXWWOO-HNNXBMFYSA-N 1 0 320.368 3.307 20 5 DGBDRO CSC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000578642810 323764048 /nfs/dbraw/zinc/76/40/48/323764048.db2.gz CZTKUSCIBBGSJY-CQSZACIVSA-N 1 0 322.430 3.084 20 5 DGBDRO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000580582116 324015704 /nfs/dbraw/zinc/01/57/04/324015704.db2.gz MACBJUMFFZPNTD-DVOMOZLQSA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000580582126 324016081 /nfs/dbraw/zinc/01/60/81/324016081.db2.gz MACBJUMFFZPNTD-WWGRRREGSA-N 1 0 304.390 3.377 20 5 DGBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCCC1 ZINC000580843968 324046099 /nfs/dbraw/zinc/04/60/99/324046099.db2.gz KLXFZKPQDSRONK-INIZCTEOSA-N 1 0 317.433 3.436 20 5 DGBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000581770116 324155310 /nfs/dbraw/zinc/15/53/10/324155310.db2.gz YTHJQVUEJJSXGR-MBNYWOFBSA-N 1 0 310.419 3.233 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H]3CCCC[C@@H]3O)C2)cc1 ZINC000582847906 324283858 /nfs/dbraw/zinc/28/38/58/324283858.db2.gz CEGMSBUWYCDXGX-NUJGCVRESA-N 1 0 318.417 3.325 20 5 DGBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429573765 533749924 /nfs/dbraw/zinc/74/99/24/533749924.db2.gz BWDHZGKQMUOCLQ-FZMZJTMJSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1ccc(C[N@@H+](C)CC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000428459831 533873251 /nfs/dbraw/zinc/87/32/51/533873251.db2.gz JWCIYIQSWSGFMN-UHFFFAOYSA-N 1 0 306.406 3.420 20 5 DGBDRO Cc1ccc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430119376 533932323 /nfs/dbraw/zinc/93/23/23/533932323.db2.gz GFVBRQYYOMIYPK-UKPHBRMFSA-N 1 0 317.433 3.065 20 5 DGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000443507647 534111720 /nfs/dbraw/zinc/11/17/20/534111720.db2.gz GVOWQKPBPFEVPC-AAEUAGOBSA-N 1 0 318.402 3.299 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177578473 534298551 /nfs/dbraw/zinc/29/85/51/534298551.db2.gz BSSTXXCNNUZDIF-MCIONIFRSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H](C)[NH2+]1 ZINC000179159284 534407089 /nfs/dbraw/zinc/40/70/89/534407089.db2.gz UFZWWBLFUBQLNH-ZIAGYGMSSA-N 1 0 319.408 3.210 20 5 DGBDRO O=C(CC[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000177523416 534418882 /nfs/dbraw/zinc/41/88/82/534418882.db2.gz LPYJQFFPRGVKDO-KBPBESRZSA-N 1 0 317.389 3.045 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](CCO)CSC)c1cccc([N+](=O)[O-])c1 ZINC000160285030 520793145 /nfs/dbraw/zinc/79/31/45/520793145.db2.gz VQKNIGXKJBFYMH-UKRRQHHQSA-N 1 0 312.435 3.140 20 5 DGBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000264925951 524160026 /nfs/dbraw/zinc/16/00/26/524160026.db2.gz RBSZWZDGBWLLDA-CQSZACIVSA-N 1 0 321.424 3.458 20 5 DGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000295864951 534888821 /nfs/dbraw/zinc/88/88/21/534888821.db2.gz CEYIFNATBPWZRB-UHFFFAOYSA-N 1 0 310.785 3.072 20 5 DGBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc2ccccc2c2cccnc12 ZINC000237936576 526515736 /nfs/dbraw/zinc/51/57/36/526515736.db2.gz ABKNGZQKBRDHDJ-CQSZACIVSA-N 1 0 319.408 3.117 20 5 DGBDRO CC(C)(CO)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000294836106 527204384 /nfs/dbraw/zinc/20/43/84/527204384.db2.gz QOFLBFBGXREBPC-HOCLYGCPSA-N 1 0 320.433 3.304 20 5 DGBDRO CC(C)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000444193241 527654093 /nfs/dbraw/zinc/65/40/93/527654093.db2.gz KNRIGPULYLSZLA-CYBMUJFWSA-N 1 0 319.405 3.290 20 5 DGBDRO CC(C)CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444580558 527719630 /nfs/dbraw/zinc/71/96/30/527719630.db2.gz DEQVNVCDVBYQQF-UHFFFAOYSA-N 1 0 302.378 3.482 20 5 DGBDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415044071 527792191 /nfs/dbraw/zinc/79/21/91/527792191.db2.gz RZLYNUVDWFBUNZ-INIZCTEOSA-N 1 0 315.373 3.085 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000297380718 527843323 /nfs/dbraw/zinc/84/33/23/527843323.db2.gz IKSFEEKSQYXUKY-QOWREQOWSA-N 1 0 310.419 3.154 20 5 DGBDRO CC(C)OC1CC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000428074607 527881216 /nfs/dbraw/zinc/88/12/16/527881216.db2.gz FEXNOHRWMHGDKN-UHFFFAOYSA-N 1 0 312.797 3.336 20 5 DGBDRO CC[NH2+][C@H](C)CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000262503354 528419584 /nfs/dbraw/zinc/41/95/84/528419584.db2.gz ZAPMASLAXZSQGJ-CYBMUJFWSA-N 1 0 307.397 3.116 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000305736591 528596634 /nfs/dbraw/zinc/59/66/34/528596634.db2.gz SZYPWTFNHRLCKC-WBMJQRKESA-N 1 0 310.394 3.051 20 5 DGBDRO CC(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000444750014 528667508 /nfs/dbraw/zinc/66/75/08/528667508.db2.gz XCBDCZIHORGXLZ-CQSZACIVSA-N 1 0 319.405 3.291 20 5 DGBDRO CC(C)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411185588 528674936 /nfs/dbraw/zinc/67/49/36/528674936.db2.gz NSQPAOYOXFDWRI-HNNXBMFYSA-N 1 0 305.378 3.044 20 5 DGBDRO CC1(C)CCCN(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000444010950 528936432 /nfs/dbraw/zinc/93/64/32/528936432.db2.gz QSJUUWOZACWGBF-YVMONPNESA-N 1 0 317.433 3.320 20 5 DGBDRO CCC1(CC)[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1OC ZINC000429292840 529093624 /nfs/dbraw/zinc/09/36/24/529093624.db2.gz YIFZUANCIHJLDO-GJZGRUSLSA-N 1 0 310.369 3.417 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441184648 529202156 /nfs/dbraw/zinc/20/21/56/529202156.db2.gz PSXHQVLDMCZYOR-ZDUSSCGKSA-N 1 0 308.378 3.247 20 5 DGBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444658818 529205578 /nfs/dbraw/zinc/20/55/78/529205578.db2.gz BUQDTUIHZSOTCK-ZFWWWQNUSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429774995 529229527 /nfs/dbraw/zinc/22/95/27/529229527.db2.gz ORJBSHYNTJXZKI-FZMZJTMJSA-N 1 0 316.361 3.313 20 5 DGBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433115052 529263703 /nfs/dbraw/zinc/26/37/03/529263703.db2.gz HOCPBORWRJYYDT-IUIKQTSFSA-N 1 0 306.406 3.314 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000318642993 529343760 /nfs/dbraw/zinc/34/37/60/529343760.db2.gz DNGHGNHTJCHLGP-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000494225106 535022500 /nfs/dbraw/zinc/02/25/00/535022500.db2.gz XVNABZBGPJIMHN-MLGOLLRUSA-N 1 0 308.378 3.039 20 5 DGBDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000468047877 536591993 /nfs/dbraw/zinc/59/19/93/536591993.db2.gz CQQFVUVLDGNRQH-GFCCVEGCSA-N 1 0 300.786 3.399 20 5 DGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000494481925 536604341 /nfs/dbraw/zinc/60/43/41/536604341.db2.gz CXPVKLGZAYYJQF-YSVLISHTSA-N 1 0 306.406 3.463 20 5 DGBDRO COC[C@]1(C)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000449393265 536673945 /nfs/dbraw/zinc/67/39/45/536673945.db2.gz LYBGGWHJIGWYBJ-RKCSUWQLSA-N 1 0 304.390 3.357 20 5 DGBDRO COC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000449248811 536684219 /nfs/dbraw/zinc/68/42/19/536684219.db2.gz KKYHHLICYFVCQS-CQSZACIVSA-N 1 0 306.406 3.465 20 5 DGBDRO COCc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449070459 536782454 /nfs/dbraw/zinc/78/24/54/536782454.db2.gz KHIPKLCGUHVSKK-CQSZACIVSA-N 1 0 314.385 3.462 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000741260571 574534306 /nfs/dbraw/zinc/53/43/06/574534306.db2.gz HSCJUSLHBOCGAZ-INIZCTEOSA-N 1 0 318.373 3.443 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(NCCC[NH+]3CCCCC3)sc2c1 ZINC000731205620 574545349 /nfs/dbraw/zinc/54/53/49/574545349.db2.gz CMINABYESRQOOW-UHFFFAOYSA-N 1 0 320.418 3.492 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(CCCC[NH+]3CCCC3)n2)cc1 ZINC000733732478 574635400 /nfs/dbraw/zinc/63/54/00/574635400.db2.gz ANPFIQUICKZPRZ-UHFFFAOYSA-N 1 0 316.361 3.063 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](c2ccccn2)C(C)C)cc1[N+](=O)[O-] ZINC000736647065 574761967 /nfs/dbraw/zinc/76/19/67/574761967.db2.gz DHCYFQFJYSZLLW-QGZVFWFLSA-N 1 0 315.373 3.485 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000743865105 575066740 /nfs/dbraw/zinc/06/67/40/575066740.db2.gz UOFZKBXHMRTIDK-UHFFFAOYSA-N 1 0 320.389 3.248 20 5 DGBDRO CN1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000729682613 575260334 /nfs/dbraw/zinc/26/03/34/575260334.db2.gz WSOQGJGHYLQSSP-CYBMUJFWSA-N 1 0 317.414 3.117 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CCO)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000746049152 575428845 /nfs/dbraw/zinc/42/88/45/575428845.db2.gz LDBDNUMUJDRVLR-RISCZKNCSA-N 1 0 306.387 3.431 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000746048895 575429140 /nfs/dbraw/zinc/42/91/40/575429140.db2.gz LPKSVQVVIOWSAA-ZBEGNZNMSA-N 1 0 304.321 3.118 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1Cl ZINC000749556659 575664439 /nfs/dbraw/zinc/66/44/39/575664439.db2.gz CFTZWGYKYMVEOH-KGLIPLIRSA-N 1 0 324.808 3.497 20 5 DGBDRO CC[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000749637577 575670671 /nfs/dbraw/zinc/67/06/71/575670671.db2.gz BRWXUURESIORHI-RDTXWAMCSA-N 1 0 314.385 3.412 20 5 DGBDRO Cc1nn(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749940943 575690706 /nfs/dbraw/zinc/69/07/06/575690706.db2.gz MFIHECVJFCVCHK-WCQYABFASA-N 1 0 317.393 3.116 20 5 DGBDRO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000727833645 576148068 /nfs/dbraw/zinc/14/80/68/576148068.db2.gz XFZMFTGZIYPTFB-NSHDSACASA-N 1 0 311.769 3.061 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000852650989 620637465 /nfs/dbraw/zinc/63/74/65/620637465.db2.gz XCZBPAGSDXHVOP-YQGLWYKZSA-N 1 0 310.369 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC(c2ccon2)CC1 ZINC000852673254 620639196 /nfs/dbraw/zinc/63/91/96/620639196.db2.gz NYSDZPNYOQHADW-UHFFFAOYSA-N 1 0 305.309 3.102 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000852673369 620639586 /nfs/dbraw/zinc/63/95/86/620639586.db2.gz HVIFCUIZYOQOAT-NVXWUHKLSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](C3CCC3)C2)cc1 ZINC000852674149 620639800 /nfs/dbraw/zinc/63/98/00/620639800.db2.gz XWXQDPHORJFCIW-DOTOQJQBSA-N 1 0 304.390 3.140 20 5 DGBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000853121980 620671339 /nfs/dbraw/zinc/67/13/39/620671339.db2.gz JRLUMBRDQRNBPT-SUMWQHHRSA-N 1 0 306.406 3.434 20 5 DGBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000853123303 620671606 /nfs/dbraw/zinc/67/16/06/620671606.db2.gz YGCCCNLGKZURCN-SUMWQHHRSA-N 1 0 306.406 3.434 20 5 DGBDRO CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@@H](C)C(C)C ZINC000853492738 620701828 /nfs/dbraw/zinc/70/18/28/620701828.db2.gz ZYCWQUQIQNIOCX-ZDUSSCGKSA-N 1 0 317.393 3.177 20 5 DGBDRO CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H](C)C(C)C ZINC000853492737 620701850 /nfs/dbraw/zinc/70/18/50/620701850.db2.gz ZYCWQUQIQNIOCX-CYBMUJFWSA-N 1 0 317.393 3.177 20 5 DGBDRO CC[C@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000926302070 617932294 /nfs/dbraw/zinc/93/22/94/617932294.db2.gz IGEDHIONNNAWOT-GXFFZTMASA-N 1 0 318.295 3.128 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000853747943 620732605 /nfs/dbraw/zinc/73/26/05/620732605.db2.gz DCNDHJLHBWBPQG-JTQLQIEISA-N 1 0 311.357 3.027 20 5 DGBDRO C[N@H+](Cc1ccccc1)C1CN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000804812360 617674914 /nfs/dbraw/zinc/67/49/14/617674914.db2.gz MVQXSBPPXNCIRU-UHFFFAOYSA-N 1 0 315.348 3.055 20 5 DGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804811882 617675074 /nfs/dbraw/zinc/67/50/74/617675074.db2.gz BGTBEERUBMIWIU-YPMHNXCESA-N 1 0 309.797 3.311 20 5 DGBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000894481648 618346520 /nfs/dbraw/zinc/34/65/20/618346520.db2.gz YTTHGNRMBXBOIU-DLGQBQFBSA-N 1 0 318.295 3.030 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000926891785 618393630 /nfs/dbraw/zinc/39/36/30/618393630.db2.gz KGDYYXIJOOEUJS-XYPHTWIQSA-N 1 0 303.406 3.262 20 5 DGBDRO CCC(=O)c1ccc(N2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000894848288 618475120 /nfs/dbraw/zinc/47/51/20/618475120.db2.gz KMDKEIBZCLMDMK-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CCc2sccc2C)c1[N+](=O)[O-] ZINC000893292368 618499463 /nfs/dbraw/zinc/49/94/63/618499463.db2.gz SGQKDBKUQRLNGE-UHFFFAOYSA-N 1 0 322.386 3.011 20 5 DGBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c2c(n1)CCCC2 ZINC000893330212 618518002 /nfs/dbraw/zinc/51/80/02/618518002.db2.gz XCDCGJCJDXFTMB-UHFFFAOYSA-N 1 0 311.385 3.467 20 5 DGBDRO C[C@@H](CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[NH+](C)C ZINC000895291679 618588662 /nfs/dbraw/zinc/58/86/62/618588662.db2.gz ATPWZZBBKCFTKQ-VIFPVBQESA-N 1 0 320.220 3.331 20 5 DGBDRO CC1=NO[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000895303367 618592456 /nfs/dbraw/zinc/59/24/56/618592456.db2.gz GCSXWDJDUHTMHX-VNQPRFMTSA-N 1 0 317.389 3.060 20 5 DGBDRO Cc1cccc(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000894135222 618717920 /nfs/dbraw/zinc/71/79/20/618717920.db2.gz TYOLALYSDHRNFY-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO Cc1ccnc(N)c1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000894315328 618762586 /nfs/dbraw/zinc/76/25/86/618762586.db2.gz CZHFZZLNOAJFTI-GFCCVEGCSA-N 1 0 300.362 3.040 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3CSC3)cs2)c1 ZINC000895421527 618783298 /nfs/dbraw/zinc/78/32/98/618783298.db2.gz NSTFJMCFIIORNP-UHFFFAOYSA-N 1 0 321.427 3.171 20 5 DGBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000895659114 618813554 /nfs/dbraw/zinc/81/35/54/618813554.db2.gz SKUGNLQSALQEQI-MRXNPFEDSA-N 1 0 300.358 3.197 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C3(O)CCC3)CCC2)cc1Cl ZINC000895868749 618844355 /nfs/dbraw/zinc/84/43/55/618844355.db2.gz RYSVVQADYCNAFA-UHFFFAOYSA-N 1 0 324.808 3.423 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CCC[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC000895930998 618850731 /nfs/dbraw/zinc/85/07/31/618850731.db2.gz UPDCNYYQTLHACM-GFCCVEGCSA-N 1 0 306.362 3.145 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000896583785 618930196 /nfs/dbraw/zinc/93/01/96/618930196.db2.gz GSZOGLIJQJSKBW-ZDUSSCGKSA-N 1 0 316.357 3.466 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cnn(C2CCC2)c1 ZINC000925151487 619053220 /nfs/dbraw/zinc/05/32/20/619053220.db2.gz BYNHGRFPFQZEAX-CYBMUJFWSA-N 1 0 314.389 3.410 20 5 DGBDRO Cc1cc(F)ncc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897458975 619130000 /nfs/dbraw/zinc/13/00/00/619130000.db2.gz GZVZZQHDGIEQGY-GFCCVEGCSA-N 1 0 303.337 3.331 20 5 DGBDRO C[C@@H](C[NH2+]Cc1nnc(C2CC2)s1)c1ccccc1[N+](=O)[O-] ZINC000897461705 619130232 /nfs/dbraw/zinc/13/02/32/619130232.db2.gz VTQVMFMYGVKNLZ-JTQLQIEISA-N 1 0 318.402 3.217 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000897510843 619142357 /nfs/dbraw/zinc/14/23/57/619142357.db2.gz BPGOXESEFAVUAY-VEVDHJHJSA-N 1 0 302.374 3.155 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC000925312796 619158535 /nfs/dbraw/zinc/15/85/35/619158535.db2.gz JVVFIPYGPRXLFA-LBPRGKRZSA-N 1 0 300.362 3.367 20 5 DGBDRO COc1cc(C[NH2+][C@H]2CCCC3(CC3)C2)c([N+](=O)[O-])cc1O ZINC000897773659 619178968 /nfs/dbraw/zinc/17/89/68/619178968.db2.gz KLPHNFWEXRBYLE-LBPRGKRZSA-N 1 0 306.362 3.121 20 5 DGBDRO CCO[C@]12CCC[C@@]1([NH2+]Cc1cccc([N+](=O)[O-])c1C)CCO2 ZINC000897973547 619196512 /nfs/dbraw/zinc/19/65/12/619196512.db2.gz VFOLMVZJGBPEFN-SJORKVTESA-N 1 0 320.389 3.069 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CC(CCO)C1 ZINC000898010781 619201952 /nfs/dbraw/zinc/20/19/52/619201952.db2.gz LIFQRIVJIOWIIQ-UMAGBFNSSA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1ncccc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000898257121 619233300 /nfs/dbraw/zinc/23/33/00/619233300.db2.gz NYMIIDVBHCJDAN-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898381925 619240416 /nfs/dbraw/zinc/24/04/16/619240416.db2.gz OWBAHKVGQYJDEN-SVWBTXMESA-N 1 0 302.374 3.013 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000898477768 619278876 /nfs/dbraw/zinc/27/88/76/619278876.db2.gz ACSLZWZOUWOKBF-KGLIPLIRSA-N 1 0 320.389 3.033 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c1 ZINC000902877087 619686919 /nfs/dbraw/zinc/68/69/19/619686919.db2.gz HMCCBWNAXARYFV-RHMLRGBNSA-N 1 0 322.792 3.151 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c1 ZINC000902877086 619687010 /nfs/dbraw/zinc/68/70/10/619687010.db2.gz HMCCBWNAXARYFV-BHQQPIICSA-N 1 0 322.792 3.151 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCCOCC2CC2)cc([N+](=O)[O-])c1 ZINC000903060428 619707783 /nfs/dbraw/zinc/70/77/83/619707783.db2.gz YWFLPRSBDGCIHW-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cccnc2)cc([N+](=O)[O-])c1 ZINC000903058817 619707801 /nfs/dbraw/zinc/70/78/01/619707801.db2.gz UGDNIEVDACUCPE-VXGBXAGGSA-N 1 0 301.346 3.410 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2ccccc2O)cc([N+](=O)[O-])c1 ZINC000903088215 619713697 /nfs/dbraw/zinc/71/36/97/619713697.db2.gz XZQNHUZXKRXKKY-GFCCVEGCSA-N 1 0 316.357 3.202 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2cn(C)nc2C)cc([N+](=O)[O-])c1 ZINC000903090780 619714427 /nfs/dbraw/zinc/71/44/27/619714427.db2.gz HFXVWJTVBJRBBD-WDEREUQCSA-N 1 0 318.377 3.057 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC2(CCO)CCCC2)cc([N+](=O)[O-])c1 ZINC000903103902 619717182 /nfs/dbraw/zinc/71/71/82/619717182.db2.gz BEAATSLJMDNRPP-CYBMUJFWSA-N 1 0 322.405 3.197 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H](C)c2ccncc2)cc([N+](=O)[O-])c1 ZINC000903107594 619717868 /nfs/dbraw/zinc/71/78/68/619717868.db2.gz YOPRGLFHDGZBPD-STQMWFEESA-N 1 0 315.373 3.453 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2ncccc2C)cc([N+](=O)[O-])c1 ZINC000903178929 619731014 /nfs/dbraw/zinc/73/10/14/619731014.db2.gz KCGPBQXHVCCLPP-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([C@H](C)[NH2+]Cc2cccnc2C)cc([N+](=O)[O-])c1 ZINC000903207517 619738451 /nfs/dbraw/zinc/73/84/51/619738451.db2.gz SLMIRVDKSLWOIA-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000903222028 619741509 /nfs/dbraw/zinc/74/15/09/619741509.db2.gz WWRVPCFSKNWSLU-DCGLDWPTSA-N 1 0 322.405 3.459 20 5 DGBDRO CCn1ccnc1[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246353 619742727 /nfs/dbraw/zinc/74/27/27/619742727.db2.gz TVPGVCLEUKKWHJ-OLZOCXBDSA-N 1 0 302.378 3.266 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000903244861 619743388 /nfs/dbraw/zinc/74/33/88/619743388.db2.gz FSIVODWTOHHAPN-ACJLOTCBSA-N 1 0 318.417 3.493 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000903245016 619743758 /nfs/dbraw/zinc/74/37/58/619743758.db2.gz IBBKBIOBNCKGAL-DGCLKSJQSA-N 1 0 302.378 3.091 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](CCO)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000903296532 619752791 /nfs/dbraw/zinc/75/27/91/619752791.db2.gz KITBLFLQZMJCRT-SJKOYZFVSA-N 1 0 322.405 3.195 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000903301630 619753946 /nfs/dbraw/zinc/75/39/46/619753946.db2.gz SCXUVNVYJVKBCX-WDMOLILDSA-N 1 0 309.435 3.060 20 5 DGBDRO COc1cccc(C[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000903286627 619754407 /nfs/dbraw/zinc/75/44/07/619754407.db2.gz DHKWHDRLFOIRDS-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000903286884 619754474 /nfs/dbraw/zinc/75/44/74/619754474.db2.gz ISIIDRGUYGWGPQ-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO CO[C@]1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCSC1 ZINC000903311251 619757672 /nfs/dbraw/zinc/75/76/72/619757672.db2.gz QYKRVPAJVXAARE-CJNGLKHVSA-N 1 0 324.446 3.028 20 5 DGBDRO CO[C@@]1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCSC1 ZINC000903311253 619757690 /nfs/dbraw/zinc/75/76/90/619757690.db2.gz QYKRVPAJVXAARE-XJKSGUPXSA-N 1 0 324.446 3.028 20 5 DGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(CCO)cc2)cccc1[N+](=O)[O-] ZINC000903395755 619767362 /nfs/dbraw/zinc/76/73/62/619767362.db2.gz GIGKZMMLWSMXPF-AWEZNQCLSA-N 1 0 314.385 3.289 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)C1CC1 ZINC000903405607 619771258 /nfs/dbraw/zinc/77/12/58/619771258.db2.gz DKBNVZCBZQPLSM-HIFRSBDPSA-N 1 0 324.446 3.216 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C1CC1 ZINC000903405606 619771368 /nfs/dbraw/zinc/77/13/68/619771368.db2.gz DKBNVZCBZQPLSM-DZGCQCFKSA-N 1 0 324.446 3.216 20 5 DGBDRO [NH3+]C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000904451525 619923601 /nfs/dbraw/zinc/92/36/01/619923601.db2.gz YVPIPOMOSVBWKQ-UHFFFAOYSA-N 1 0 321.764 3.089 20 5 DGBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000905092389 619972948 /nfs/dbraw/zinc/97/29/48/619972948.db2.gz DHJIHOUZDQWOJH-LBPRGKRZSA-N 1 0 321.377 3.193 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCSC3(CCC3)C2)cc1 ZINC000905601265 620008762 /nfs/dbraw/zinc/00/87/62/620008762.db2.gz OSCZJXXMBGYPCS-ZFWWWQNUSA-N 1 0 322.430 3.036 20 5 DGBDRO C[C@H](C[NH2+]C[C@H](O)c1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000905645439 620016189 /nfs/dbraw/zinc/01/61/89/620016189.db2.gz YLQIPGLBDPHLII-PXAZEXFGSA-N 1 0 318.348 3.161 20 5 DGBDRO Cc1cccc([C@@H](O)C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000905643376 620016252 /nfs/dbraw/zinc/01/62/52/620016252.db2.gz LGNBGHFDUJJOTA-KSSFIOAISA-N 1 0 314.385 3.330 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000905852819 620037882 /nfs/dbraw/zinc/03/78/82/620037882.db2.gz NHQQTMLEOAECAZ-OLZOCXBDSA-N 1 0 319.405 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc3c(c2)C[NH2+]CC2(CCC2)O3)cn1 ZINC000906170793 620064496 /nfs/dbraw/zinc/06/44/96/620064496.db2.gz JSTJWLJGFSVARX-UHFFFAOYSA-N 1 0 311.341 3.062 20 5 DGBDRO Cc1c(C[NH2+][C@@H](CCO)c2cccs2)cccc1[N+](=O)[O-] ZINC000754391629 620554462 /nfs/dbraw/zinc/55/44/62/620554462.db2.gz ZRKJSHZIPGSFHR-ZDUSSCGKSA-N 1 0 306.387 3.178 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000922695217 621085678 /nfs/dbraw/zinc/08/56/78/621085678.db2.gz MRMYNQYNWGRXEC-AAEUAGOBSA-N 1 0 318.295 3.184 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCS[C@H](C)C1 ZINC000922841856 621106913 /nfs/dbraw/zinc/10/69/13/621106913.db2.gz JNNVPAPMJZRUTG-YPMHNXCESA-N 1 0 310.419 3.367 20 5 DGBDRO CC1(C)C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C(C)(C)O1 ZINC000922949419 621136231 /nfs/dbraw/zinc/13/62/31/621136231.db2.gz XQTBJPZXHNKFJA-GFCCVEGCSA-N 1 0 310.369 3.417 20 5 DGBDRO COc1ccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000922967892 621140790 /nfs/dbraw/zinc/14/07/90/621140790.db2.gz LUBDHAOZIYCLLL-CQSZACIVSA-N 1 0 320.389 3.185 20 5 DGBDRO O[C@@H]1CCN(CC[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000858298067 621172940 /nfs/dbraw/zinc/17/29/40/621172940.db2.gz JTEYFZMNMXWYCM-GOSISDBHSA-N 1 0 320.436 3.149 20 5 DGBDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000858503579 621198942 /nfs/dbraw/zinc/19/89/42/621198942.db2.gz BYQOTFNYMYSDPW-IUODEOHRSA-N 1 0 318.373 3.206 20 5 DGBDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000858503580 621198979 /nfs/dbraw/zinc/19/89/79/621198979.db2.gz BYQOTFNYMYSDPW-SWLSCSKDSA-N 1 0 318.373 3.206 20 5 DGBDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000858505514 621199347 /nfs/dbraw/zinc/19/93/47/621199347.db2.gz LLXXBMVXZHKCJL-OCCSQVGLSA-N 1 0 318.373 3.206 20 5 DGBDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000858505515 621199412 /nfs/dbraw/zinc/19/94/12/621199412.db2.gz LLXXBMVXZHKCJL-TZMCWYRMSA-N 1 0 318.373 3.206 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000838987831 621311009 /nfs/dbraw/zinc/31/10/09/621311009.db2.gz WNWQJGDOBLLLLP-GOSISDBHSA-N 1 0 312.369 3.295 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H]2C2(O)CC2)ccc1Cl ZINC000839140103 621340317 /nfs/dbraw/zinc/34/03/17/621340317.db2.gz NTFDBFMQDVXKPF-AWEZNQCLSA-N 1 0 310.781 3.128 20 5 DGBDRO CCOC(=O)CC1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCCC1 ZINC000789389351 625484134 /nfs/dbraw/zinc/48/41/34/625484134.db2.gz RRBNBGHTTWKFAC-UHFFFAOYSA-N 1 0 324.352 3.090 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000754324578 621502937 /nfs/dbraw/zinc/50/29/37/621502937.db2.gz LGSHWBQFOVBUHW-ZIAGYGMSSA-N 1 0 321.402 3.134 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000754678415 621524059 /nfs/dbraw/zinc/52/40/59/621524059.db2.gz DIOIAKPPVHKCBO-RISCZKNCSA-N 1 0 306.387 3.349 20 5 DGBDRO O=[N+]([O-])c1cc2cnn(C[NH+](C3CC3)C3CC3)c2c(Cl)c1 ZINC000863303242 621661901 /nfs/dbraw/zinc/66/19/01/621661901.db2.gz XNDSWKDSQLOBGF-UHFFFAOYSA-N 1 0 306.753 3.182 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2c(-c2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000863654735 621694334 /nfs/dbraw/zinc/69/43/34/621694334.db2.gz MGQXLFWBSKQTBI-LBPRGKRZSA-N 1 0 324.340 3.265 20 5 DGBDRO CC[N@@H+](Cc1occc1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839663233 621705793 /nfs/dbraw/zinc/70/57/93/621705793.db2.gz OSJHYHXCQRFTHE-HNNXBMFYSA-N 1 0 304.346 3.052 20 5 DGBDRO CCC[C@H]([NH2+]C1COC(C)(C)OC1)c1cccc([N+](=O)[O-])c1 ZINC000757705102 621734532 /nfs/dbraw/zinc/73/45/32/621734532.db2.gz MPAHYZDBVCNMFW-HNNXBMFYSA-N 1 0 308.378 3.177 20 5 DGBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000758207402 621766287 /nfs/dbraw/zinc/76/62/87/621766287.db2.gz PXBFTSBZRMYKKW-LBPRGKRZSA-N 1 0 311.813 3.477 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000865777832 621993687 /nfs/dbraw/zinc/99/36/87/621993687.db2.gz CRIIVJZYTCIIBG-HNNXBMFYSA-N 1 0 304.390 3.200 20 5 DGBDRO CCn1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1C ZINC000761522400 622014249 /nfs/dbraw/zinc/01/42/49/622014249.db2.gz YQXGKRCPEWIRAO-UHFFFAOYSA-N 1 0 322.796 3.371 20 5 DGBDRO CC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000866022258 622034080 /nfs/dbraw/zinc/03/40/80/622034080.db2.gz TUFOUIFMXQIDQO-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO COc1cccc([N+](=O)[O-])c1NC1CCC(C)([NH+](C)C)CC1 ZINC000866147694 622054885 /nfs/dbraw/zinc/05/48/85/622054885.db2.gz VVLHTYOMXZGURJ-UHFFFAOYSA-N 1 0 307.394 3.278 20 5 DGBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866206235 622066019 /nfs/dbraw/zinc/06/60/19/622066019.db2.gz CSQIRPRLJAKIEP-NEPJUHHUSA-N 1 0 311.332 3.063 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOCC1CC1 ZINC000866219356 622068767 /nfs/dbraw/zinc/06/87/67/622068767.db2.gz MINYKVZNHUTRMY-GFCCVEGCSA-N 1 0 310.369 3.071 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccco1 ZINC000866222539 622069460 /nfs/dbraw/zinc/06/94/60/622069460.db2.gz IUGJHKMCHDYTRH-NEPJUHHUSA-N 1 0 306.337 3.479 20 5 DGBDRO Cc1cc(N2C[C@@H](O)CC(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866229525 622071018 /nfs/dbraw/zinc/07/10/18/622071018.db2.gz KVGAVFBUNFEFMW-ZDUSSCGKSA-N 1 0 315.373 3.049 20 5 DGBDRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866274185 622082393 /nfs/dbraw/zinc/08/23/93/622082393.db2.gz XKOISHGRVKGBIN-NEPJUHHUSA-N 1 0 312.385 3.458 20 5 DGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866274190 622082400 /nfs/dbraw/zinc/08/24/00/622082400.db2.gz XKOISHGRVKGBIN-VXGBXAGGSA-N 1 0 312.385 3.458 20 5 DGBDRO COC1CCC(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866281337 622084388 /nfs/dbraw/zinc/08/43/88/622084388.db2.gz HHPXYMVUUJCRQP-FUJMWEONSA-N 1 0 324.396 3.460 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000866288198 622085660 /nfs/dbraw/zinc/08/56/60/622085660.db2.gz DRLBFLMQFBBUGM-AGIUHOORSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000866305285 622089633 /nfs/dbraw/zinc/08/96/33/622089633.db2.gz GCGQYUMQMKFFST-IINYFYTJSA-N 1 0 318.352 3.055 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000866309770 622090682 /nfs/dbraw/zinc/09/06/82/622090682.db2.gz BNSHXFYUSFPTEE-IJLUTSLNSA-N 1 0 310.369 3.211 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCOC(C)(C)C1 ZINC000866311711 622091172 /nfs/dbraw/zinc/09/11/72/622091172.db2.gz VHKJIHZIGQWCDG-FZMZJTMJSA-N 1 0 310.369 3.212 20 5 DGBDRO CCC(O)(CC)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866347581 622099777 /nfs/dbraw/zinc/09/97/77/622099777.db2.gz LEPBYXDMSOQRLY-GFCCVEGCSA-N 1 0 312.385 3.196 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCSC1 ZINC000866355975 622101862 /nfs/dbraw/zinc/10/18/62/622101862.db2.gz HSZOKXBFRMZHNV-RYUDHWBXSA-N 1 0 312.410 3.398 20 5 DGBDRO COC1(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866362523 622103014 /nfs/dbraw/zinc/10/30/14/622103014.db2.gz FIXHUOLUTVYGHU-LBPRGKRZSA-N 1 0 310.369 3.214 20 5 DGBDRO Cc1ccncc1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866368214 622104456 /nfs/dbraw/zinc/10/44/56/622104456.db2.gz YOUYPUYVDBQVSU-LBPRGKRZSA-N 1 0 303.337 3.158 20 5 DGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866384634 622107722 /nfs/dbraw/zinc/10/77/22/622107722.db2.gz ZYUBMQRYULEXSU-DJSGYFEHSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1cscn1 ZINC000866388910 622108840 /nfs/dbraw/zinc/10/88/40/622108840.db2.gz NYFRTLRKGAPWBF-ZJUUUORDSA-N 1 0 309.366 3.472 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCC[C@@H]2F)n1 ZINC000866450427 622120905 /nfs/dbraw/zinc/12/09/05/622120905.db2.gz UBPIDGALQUXIJG-CRWXNKLISA-N 1 0 310.373 3.145 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(F)c1 ZINC000866473322 622123940 /nfs/dbraw/zinc/12/39/40/622123940.db2.gz MNSKWOFEEZNLCD-LBPRGKRZSA-N 1 0 303.337 3.240 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCCS2)n1 ZINC000866480513 622124895 /nfs/dbraw/zinc/12/48/95/622124895.db2.gz IPZJWLAOPKLPKU-MGPQQGTHSA-N 1 0 324.450 3.150 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000866508908 622129322 /nfs/dbraw/zinc/12/93/22/622129322.db2.gz SCRFKZPFWJPIJW-XGWLTEMNSA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000866527412 622131993 /nfs/dbraw/zinc/13/19/93/622131993.db2.gz IEBYXUAAOBQNTH-ZFWWWQNUSA-N 1 0 304.390 3.452 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)c2cnc(C)nc2C)cc1[N+](=O)[O-] ZINC000866539263 622135088 /nfs/dbraw/zinc/13/50/88/622135088.db2.gz AKPZSKXUOFORID-LLVKDONJSA-N 1 0 300.362 3.161 20 5 DGBDRO COc1cccc(C[C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000866539266 622135189 /nfs/dbraw/zinc/13/51/89/622135189.db2.gz APPLYYPKTVSWMT-ZDUSSCGKSA-N 1 0 315.373 3.028 20 5 DGBDRO Cc1nn(C[N@H+](C)CC2CCCC2)c2cc([N+](=O)[O-])ccc12 ZINC000121137574 622145489 /nfs/dbraw/zinc/14/54/89/622145489.db2.gz VOJMRMREVCDUAT-UHFFFAOYSA-N 1 0 302.378 3.332 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccnn1C ZINC000866612123 622146760 /nfs/dbraw/zinc/14/67/60/622146760.db2.gz CLJHCFVIJSPBNP-STQMWFEESA-N 1 0 302.378 3.000 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000866710034 622158464 /nfs/dbraw/zinc/15/84/64/622158464.db2.gz WIYGGNNRXINLNS-KRWDZBQOSA-N 1 0 305.422 3.100 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705554 622158549 /nfs/dbraw/zinc/15/85/49/622158549.db2.gz CMBGDASQZFUYAM-CXAGYDPISA-N 1 0 305.422 3.353 20 5 DGBDRO Cc1nn(CN2CCS[C@H](C)[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121199720 622158733 /nfs/dbraw/zinc/15/87/33/622158733.db2.gz QQBYCGXRJYUVTA-NWDGAFQWSA-N 1 0 320.418 3.036 20 5 DGBDRO C[C@@H]1C[C@H](N(C)c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000764157274 622182146 /nfs/dbraw/zinc/18/21/46/622182146.db2.gz LZXANJUBMLWYKH-CHWSQXEVSA-N 1 0 314.389 3.062 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000765253078 622253893 /nfs/dbraw/zinc/25/38/93/622253893.db2.gz KXKFHSPRKJUYNE-HIFRSBDPSA-N 1 0 305.422 3.428 20 5 DGBDRO Cc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000765844375 622290867 /nfs/dbraw/zinc/29/08/67/622290867.db2.gz FVORNRHLPKMACT-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(C)(O)CC1 ZINC000766479206 622332798 /nfs/dbraw/zinc/33/27/98/622332798.db2.gz MLNYHWPZTLZUIP-BZOOQXSSSA-N 1 0 306.406 3.199 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CC3(CCC3)C2)cc1Cl ZINC000789756911 625562146 /nfs/dbraw/zinc/56/21/46/625562146.db2.gz IOHYJOGEQLQCAL-UHFFFAOYSA-N 1 0 324.808 3.281 20 5 DGBDRO C[C@H]1CCC[N@H+](CCCCNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881810481 625568353 /nfs/dbraw/zinc/56/83/53/625568353.db2.gz XFYRQSUENXVDDN-LBPRGKRZSA-N 1 0 310.373 3.053 20 5 DGBDRO C[C@H](NC1CC[NH+](C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017439 622753429 /nfs/dbraw/zinc/75/34/29/622753429.db2.gz ABHLTVPAPGSADN-NSHDSACASA-N 1 0 307.369 3.011 20 5 DGBDRO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026165 622760250 /nfs/dbraw/zinc/76/02/50/622760250.db2.gz YKABPRKGIINMRS-CHWSQXEVSA-N 1 0 323.462 3.309 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCN1C ZINC000872028732 622760603 /nfs/dbraw/zinc/76/06/03/622760603.db2.gz SNEVAKBSZZPWRK-DGCLKSJQSA-N 1 0 309.435 3.062 20 5 DGBDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035963 622765616 /nfs/dbraw/zinc/76/56/16/622765616.db2.gz QZWTXYWMEUFZCS-YVEFUNNKSA-N 1 0 318.348 3.292 20 5 DGBDRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872039556 622769016 /nfs/dbraw/zinc/76/90/16/622769016.db2.gz GVEQMPOBNIDKAV-PEYYIBSZSA-N 1 0 310.369 3.326 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)CCO ZINC000872041763 622769496 /nfs/dbraw/zinc/76/94/96/622769496.db2.gz VRYDVQFECZZVEL-LLVKDONJSA-N 1 0 312.435 3.376 20 5 DGBDRO CCC1(O)CCC([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872047449 622773324 /nfs/dbraw/zinc/77/33/24/622773324.db2.gz STFWKZFQJJLFCF-FZWSLVFFSA-N 1 0 310.369 3.468 20 5 DGBDRO Cc1cnccc1CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872050555 622776177 /nfs/dbraw/zinc/77/61/77/622776177.db2.gz CABJKNJTTREMSJ-LBPRGKRZSA-N 1 0 303.337 3.331 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)CC1CC1 ZINC000872053660 622777939 /nfs/dbraw/zinc/77/79/39/622777939.db2.gz YWSPOGMIUJLQBX-ZYHUDNBSSA-N 1 0 310.419 3.128 20 5 DGBDRO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872066137 622786455 /nfs/dbraw/zinc/78/64/55/622786455.db2.gz FJYQDDZHVMUKIG-GFCCVEGCSA-N 1 0 322.380 3.327 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000872066618 622786930 /nfs/dbraw/zinc/78/69/30/622786930.db2.gz OLZASYUKRKQBIH-SUNKGSAMSA-N 1 0 310.419 3.392 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)CCCO ZINC000872075100 622791213 /nfs/dbraw/zinc/79/12/13/622791213.db2.gz OBUPJPIXAYGUIJ-NEPJUHHUSA-N 1 0 312.435 3.376 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(C)(C)CO ZINC000872076296 622791836 /nfs/dbraw/zinc/79/18/36/622791836.db2.gz YYEWKQFWTZTVMN-NSHDSACASA-N 1 0 312.435 3.376 20 5 DGBDRO Cc1ccc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])nc1 ZINC000872077893 622793217 /nfs/dbraw/zinc/79/32/17/622793217.db2.gz NGPISOAHOBZAII-GFCCVEGCSA-N 1 0 303.337 3.331 20 5 DGBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000771791803 622796089 /nfs/dbraw/zinc/79/60/89/622796089.db2.gz MYDWIWFJFRSQFE-YESZJQIVSA-N 1 0 306.406 3.433 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000872085693 622797385 /nfs/dbraw/zinc/79/73/85/622797385.db2.gz OSTFYMASSDYYSV-VQISRLSMSA-N 1 0 322.430 3.271 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2C[C@H](O)C2)c2ccccc2)c1 ZINC000872126464 622821606 /nfs/dbraw/zinc/82/16/06/622821606.db2.gz OBYHRZDVMASKAU-KKXDTOCCSA-N 1 0 312.369 3.045 20 5 DGBDRO COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000872128320 622822988 /nfs/dbraw/zinc/82/29/88/622822988.db2.gz KWKIXKHHVXFUJB-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000872131535 622825386 /nfs/dbraw/zinc/82/53/86/622825386.db2.gz WHJQPYNYMDOCCG-CMPLNLGQSA-N 1 0 318.352 3.114 20 5 DGBDRO CC[NH+](CC)CCOC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000772236338 622871108 /nfs/dbraw/zinc/87/11/08/622871108.db2.gz RXXAVLHZAIBVQG-UHFFFAOYSA-N 1 0 308.378 3.019 20 5 DGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000773120926 622987382 /nfs/dbraw/zinc/98/73/82/622987382.db2.gz SYORHBXHDSMTGD-CYBMUJFWSA-N 1 0 312.369 3.423 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)c1ccccc1 ZINC000873006957 623015665 /nfs/dbraw/zinc/01/56/65/623015665.db2.gz DLUVSXYUMIYTBX-KRWDZBQOSA-N 1 0 300.358 3.035 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](c2ccsc2)N(C)C)cccc1[N+](=O)[O-] ZINC000873008318 623016073 /nfs/dbraw/zinc/01/60/73/623016073.db2.gz JHLFXCCODUYELZ-INIZCTEOSA-N 1 0 319.430 3.357 20 5 DGBDRO COCc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000873048117 623025598 /nfs/dbraw/zinc/02/55/98/623025598.db2.gz PNILZMIETCJDAA-UHFFFAOYSA-N 1 0 318.348 3.479 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000873097895 623036022 /nfs/dbraw/zinc/03/60/22/623036022.db2.gz YJETVUZIANIHDF-XHDPSFHLSA-N 1 0 304.346 3.098 20 5 DGBDRO Cc1c(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000873106091 623037084 /nfs/dbraw/zinc/03/70/84/623037084.db2.gz HWXSKZLVNSAWSW-DLBZAZTESA-N 1 0 304.390 3.198 20 5 DGBDRO Cc1c(C[NH2+]CC[C@@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873110511 623037184 /nfs/dbraw/zinc/03/71/84/623037184.db2.gz QVJZCQYFABNOQS-GOSISDBHSA-N 1 0 314.385 3.291 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000873131094 623043904 /nfs/dbraw/zinc/04/39/04/623043904.db2.gz LNMGCCUJLUMQFE-AWEZNQCLSA-N 1 0 304.390 3.342 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c(Cl)c1 ZINC000873155353 623053892 /nfs/dbraw/zinc/05/38/92/623053892.db2.gz DOVRYJIDAAFNHS-RIEGTJTDSA-N 1 0 310.781 3.295 20 5 DGBDRO COc1ccc(C[NH2+]CC2(OC(C)C)CCC2)cc1[N+](=O)[O-] ZINC000873166991 623059122 /nfs/dbraw/zinc/05/91/22/623059122.db2.gz LRFWGTGFFPEXQH-UHFFFAOYSA-N 1 0 308.378 3.041 20 5 DGBDRO CC(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774906358 623206913 /nfs/dbraw/zinc/20/69/13/623206913.db2.gz AYZULIVUZHQFPK-UHFFFAOYSA-N 1 0 307.350 3.371 20 5 DGBDRO CN(CC[C@H]1CCC[N@@H+]1C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000124842802 623244699 /nfs/dbraw/zinc/24/46/99/623244699.db2.gz KTOKZFCRACNJHB-CYBMUJFWSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000775425514 623273610 /nfs/dbraw/zinc/27/36/10/623273610.db2.gz XYMOTQXZIOIXDB-RBSFLKMASA-N 1 0 324.471 3.107 20 5 DGBDRO CCCC[N@H+](CCCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775561833 623289712 /nfs/dbraw/zinc/28/97/12/623289712.db2.gz XQSMZCXCKKDJIW-UHFFFAOYSA-N 1 0 300.786 3.233 20 5 DGBDRO C[C@@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000874625834 623308340 /nfs/dbraw/zinc/30/83/40/623308340.db2.gz XAZXTRYHMRZKBB-SYQHCUMBSA-N 1 0 319.405 3.033 20 5 DGBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000776276567 623406126 /nfs/dbraw/zinc/40/61/26/623406126.db2.gz NZYIOFZOVYIEHZ-MSOLQXFVSA-N 1 0 312.369 3.248 20 5 DGBDRO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277743 623406216 /nfs/dbraw/zinc/40/62/16/623406216.db2.gz RVLZQWIEMVHTNV-INIZCTEOSA-N 1 0 322.311 3.038 20 5 DGBDRO CC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578694 623442083 /nfs/dbraw/zinc/44/20/83/623442083.db2.gz HTKPIHVIIRZYLD-GOSISDBHSA-N 1 0 314.385 3.459 20 5 DGBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587482 623443763 /nfs/dbraw/zinc/44/37/63/623443763.db2.gz IBJNYTJLQMATCB-NQZOLGFYSA-N 1 0 304.390 3.281 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC3(C2)CCCCC3)cc1 ZINC000776588732 623444392 /nfs/dbraw/zinc/44/43/92/623444392.db2.gz OFJNCNRMJLPKLE-MRXNPFEDSA-N 1 0 304.390 3.284 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000776590740 623444871 /nfs/dbraw/zinc/44/48/71/623444871.db2.gz FWENHYWPZFONFB-IAGOWNOFSA-N 1 0 316.332 3.214 20 5 DGBDRO CO[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000777013344 623485670 /nfs/dbraw/zinc/48/56/70/623485670.db2.gz USQVBISIKBBMTB-CABZTGNLSA-N 1 0 306.284 3.131 20 5 DGBDRO CO[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000777013003 623485686 /nfs/dbraw/zinc/48/56/86/623485686.db2.gz TVSWEDRJQJJFSW-GXFFZTMASA-N 1 0 320.311 3.083 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOC1CCC1)C1CC1 ZINC000777121176 623498434 /nfs/dbraw/zinc/49/84/34/623498434.db2.gz LYANABAGLQHFCR-INIZCTEOSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@@H]1C[C@@H](C)[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777956370 623589833 /nfs/dbraw/zinc/58/98/33/623589833.db2.gz GVTSPYLFLOPOFT-CHWSQXEVSA-N 1 0 300.362 3.146 20 5 DGBDRO CC[C@@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777964380 623592605 /nfs/dbraw/zinc/59/26/05/623592605.db2.gz ORGMZQRSYZUDMS-CYBMUJFWSA-N 1 0 300.362 3.148 20 5 DGBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778426783 623655965 /nfs/dbraw/zinc/65/59/65/623655965.db2.gz BQBLEDCVTXGQHF-IAQYHMDHSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000876765947 623701402 /nfs/dbraw/zinc/70/14/02/623701402.db2.gz XMRDOEWFIAXMQF-HIFRSBDPSA-N 1 0 305.422 3.126 20 5 DGBDRO C[C@@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876999126 623763442 /nfs/dbraw/zinc/76/34/42/623763442.db2.gz WELXNHSRJZVNPD-JEYLPNPQSA-N 1 0 314.389 3.278 20 5 DGBDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877007325 623765001 /nfs/dbraw/zinc/76/50/01/623765001.db2.gz LZTQCDLWYIYRRO-GMEATFMZSA-N 1 0 306.410 3.299 20 5 DGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000779428910 623769210 /nfs/dbraw/zinc/76/92/10/623769210.db2.gz JXRVJWSNBYCIEX-NSHDSACASA-N 1 0 311.813 3.415 20 5 DGBDRO Cc1nn(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000779858579 623822046 /nfs/dbraw/zinc/82/20/46/623822046.db2.gz AMVNGWCJWSKONY-INIZCTEOSA-N 1 0 314.389 3.154 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCCCCC[NH3+] ZINC000877439178 623881811 /nfs/dbraw/zinc/88/18/11/623881811.db2.gz XOLBCEFQKNJQGF-UHFFFAOYSA-N 1 0 321.421 3.111 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000877528608 623926009 /nfs/dbraw/zinc/92/60/09/623926009.db2.gz FRGDBYDMPXRTOK-KRWDZBQOSA-N 1 0 306.406 3.339 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@H]3CCCS3)nc2c1 ZINC000877697850 623995684 /nfs/dbraw/zinc/99/56/84/623995684.db2.gz OGKZMYKCEYLGEF-LLVKDONJSA-N 1 0 307.375 3.111 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C(C)(C)O)CC1 ZINC000877752551 624019497 /nfs/dbraw/zinc/01/94/97/624019497.db2.gz SYWPDWRRPXWCFY-UHFFFAOYSA-N 1 0 306.406 3.195 20 5 DGBDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877778036 624033338 /nfs/dbraw/zinc/03/33/38/624033338.db2.gz IMTSYLQZTUKRSF-SKDRFNHKSA-N 1 0 320.311 3.253 20 5 DGBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000877796080 624037148 /nfs/dbraw/zinc/03/71/48/624037148.db2.gz HCSMYBRLZPNLDI-GFCCVEGCSA-N 1 0 312.797 3.231 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000877836089 624064802 /nfs/dbraw/zinc/06/48/02/624064802.db2.gz MOXHAWMPFJGHGS-CTXBLAANSA-N 1 0 304.390 3.091 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000877836088 624065061 /nfs/dbraw/zinc/06/50/61/624065061.db2.gz MOXHAWMPFJGHGS-BMQCOBNYSA-N 1 0 304.390 3.091 20 5 DGBDRO CC(C)(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000790818876 625702991 /nfs/dbraw/zinc/70/29/91/625702991.db2.gz QZMICQMFRUORGP-UHFFFAOYSA-N 1 0 322.365 3.037 20 5 DGBDRO CC[C@H](C)C[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878093837 624164527 /nfs/dbraw/zinc/16/45/27/624164527.db2.gz NUPMOTOBWKUTAE-NSHDSACASA-N 1 0 304.350 3.123 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878341026 624249671 /nfs/dbraw/zinc/24/96/71/624249671.db2.gz RGUSUMGFFTXKHZ-NEPJUHHUSA-N 1 0 316.361 3.408 20 5 DGBDRO C[C@H](OC(=O)C1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000782533629 624261223 /nfs/dbraw/zinc/26/12/23/624261223.db2.gz NKKKDLWKLDTNCS-LBPRGKRZSA-N 1 0 318.373 3.073 20 5 DGBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000783597385 624373329 /nfs/dbraw/zinc/37/33/29/624373329.db2.gz KAYDPYFCTMLRAZ-UHFFFAOYSA-N 1 0 323.824 3.355 20 5 DGBDRO Cc1ncc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000783649484 624379952 /nfs/dbraw/zinc/37/99/52/624379952.db2.gz ZSLNWWPBWVBNKO-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)[NH+]1CCCCCC1 ZINC000783784487 624396345 /nfs/dbraw/zinc/39/63/45/624396345.db2.gz PVYSBLGGHKWBSC-LBPRGKRZSA-N 1 0 324.352 3.042 20 5 DGBDRO C[C@@](CO)([NH2+]Cc1ccc(CF)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879271475 624477628 /nfs/dbraw/zinc/47/76/28/624477628.db2.gz GIKMIAARUCGZJA-KRWDZBQOSA-N 1 0 318.348 3.062 20 5 DGBDRO CCC1([NH+](C)C)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000879287250 624484045 /nfs/dbraw/zinc/48/40/45/624484045.db2.gz NNLZZMQNEKNJFS-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000879564942 624592428 /nfs/dbraw/zinc/59/24/28/624592428.db2.gz JRNACBCJXDYVDZ-KGLIPLIRSA-N 1 0 322.430 3.178 20 5 DGBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000879698609 624643766 /nfs/dbraw/zinc/64/37/66/624643766.db2.gz PPWJMLIFUQQMFR-UHFFFAOYSA-N 1 0 310.394 3.023 20 5 DGBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000879699135 624644092 /nfs/dbraw/zinc/64/40/92/624644092.db2.gz IRZTZROCNOOFEV-UHFFFAOYSA-N 1 0 316.348 3.292 20 5 DGBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000785546033 624684171 /nfs/dbraw/zinc/68/41/71/624684171.db2.gz KEQQIFRJNLPCJG-ZETOZRRWSA-N 1 0 312.797 3.230 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC000880189348 624827629 /nfs/dbraw/zinc/82/76/29/624827629.db2.gz JKHCBHJHUXHUNH-ROUUACIJSA-N 1 0 309.369 3.058 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880316526 624912498 /nfs/dbraw/zinc/91/24/98/624912498.db2.gz HAVVYCDWINEXES-ZDUSSCGKSA-N 1 0 303.387 3.083 20 5 DGBDRO C[C@@H]1c2sccc2CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880377120 624943385 /nfs/dbraw/zinc/94/33/85/624943385.db2.gz OQGAJLWRFIQVMF-IAQYHMDHSA-N 1 0 318.398 3.309 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000786804747 624954833 /nfs/dbraw/zinc/95/48/33/624954833.db2.gz LYJROIPZSCBSTJ-AWEZNQCLSA-N 1 0 305.378 3.084 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)c1ccc(C)o1 ZINC000786810901 624955475 /nfs/dbraw/zinc/95/54/75/624955475.db2.gz BSDGTRZWOXTDDA-RCLKMUNOSA-N 1 0 316.357 3.223 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[S@](=O)C(C)(C)C ZINC000786814456 624956262 /nfs/dbraw/zinc/95/62/62/624956262.db2.gz OHSOOBSSIIHLGR-JQCPSUHGSA-N 1 0 324.446 3.135 20 5 DGBDRO Cc1c(C[NH+]2CCC3(CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000880454908 624959466 /nfs/dbraw/zinc/95/94/66/624959466.db2.gz PZFGGVRMTRXDOA-UHFFFAOYSA-N 1 0 304.390 3.438 20 5 DGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000880459610 624960940 /nfs/dbraw/zinc/96/09/40/624960940.db2.gz IDIMRSXBKFPBIN-KRWDZBQOSA-N 1 0 300.358 3.150 20 5 DGBDRO CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N(C)C ZINC000788521655 625205332 /nfs/dbraw/zinc/20/53/32/625205332.db2.gz WBJHHLVCHHWJPO-SJCJKPOMSA-N 1 0 322.453 3.194 20 5 DGBDRO CC(C)C[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788578336 625219685 /nfs/dbraw/zinc/21/96/85/625219685.db2.gz SANTUUFDCNKMJN-CJNGLKHVSA-N 1 0 306.406 3.314 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H](CCO)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000788594167 625221364 /nfs/dbraw/zinc/22/13/64/625221364.db2.gz ZWYYZTNNAYOUGY-CVEARBPZSA-N 1 0 304.390 3.068 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C12CCC2 ZINC000788607059 625227390 /nfs/dbraw/zinc/22/73/90/625227390.db2.gz BWXBDWHCWMWBIC-KNXALSJPSA-N 1 0 319.405 3.175 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000788734857 625252996 /nfs/dbraw/zinc/25/29/96/625252996.db2.gz MLGOHGJUPKITQK-SNVBAGLBSA-N 1 0 321.764 3.242 20 5 DGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1(C)C ZINC000788751716 625258215 /nfs/dbraw/zinc/25/82/15/625258215.db2.gz SXZFCJVOVLIJPZ-HFBAOOFYSA-N 1 0 321.421 3.420 20 5 DGBDRO COC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCCCC1 ZINC000788752627 625258538 /nfs/dbraw/zinc/25/85/38/625258538.db2.gz GKNUBXBZPYQSNI-GFCCVEGCSA-N 1 0 307.394 3.177 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788756416 625259605 /nfs/dbraw/zinc/25/96/05/625259605.db2.gz WKXISWKKFZPTJU-MJEQTWJJSA-N 1 0 321.421 3.421 20 5 DGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796428174 626048779 /nfs/dbraw/zinc/04/87/79/626048779.db2.gz HSUIMNYDPRFEJL-SWLSCSKDSA-N 1 0 323.824 3.307 20 5 DGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796428067 626048939 /nfs/dbraw/zinc/04/89/39/626048939.db2.gz HFHFRCUGGXGZRM-WFASDCNBSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000796481502 626054665 /nfs/dbraw/zinc/05/46/65/626054665.db2.gz HULFWHCJJMICQR-ABAIWWIYSA-N 1 0 306.387 3.176 20 5 DGBDRO Cc1nn(C[N@@H+]2CC(C)=C[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000797417304 626141248 /nfs/dbraw/zinc/14/12/48/626141248.db2.gz NGBMVYOFOKSSPW-NSHDSACASA-N 1 0 300.362 3.108 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1ccccc1F ZINC000797518458 626150854 /nfs/dbraw/zinc/15/08/54/626150854.db2.gz AMJCJUGXTNOKNH-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO CN(CCC[NH+]1CCCC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000798958513 626263295 /nfs/dbraw/zinc/26/32/95/626263295.db2.gz ZPZPSUORSGDEEF-UHFFFAOYSA-N 1 0 311.813 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799196810 626280732 /nfs/dbraw/zinc/28/07/32/626280732.db2.gz XMKVHXBWVTUHQJ-GFCCVEGCSA-N 1 0 301.321 3.118 20 5 DGBDRO C[N@H+](CCOCCO)Cc1c2ccccc2cc2ccccc21 ZINC000800545409 626367241 /nfs/dbraw/zinc/36/72/41/626367241.db2.gz QHQDZMBJCSLEPA-UHFFFAOYSA-N 1 0 309.409 3.434 20 5 DGBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000800897711 626383638 /nfs/dbraw/zinc/38/36/38/626383638.db2.gz MASLYANWJQYDKJ-SFHVURJKSA-N 1 0 314.385 3.343 20 5 DGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801519397 626407355 /nfs/dbraw/zinc/40/73/55/626407355.db2.gz NDTYGDYVWNHLSV-TZMCWYRMSA-N 1 0 309.385 3.039 20 5 DGBDRO COc1ccc(C[NH2+]CC2(C)CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000883250397 626624224 /nfs/dbraw/zinc/62/42/24/626624224.db2.gz USHJTVRWKWIGBS-UHFFFAOYSA-N 1 0 300.305 3.128 20 5 DGBDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000883356478 626659170 /nfs/dbraw/zinc/65/91/70/626659170.db2.gz PEZZDCFYDGONAB-AAEUAGOBSA-N 1 0 309.435 3.062 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCC2(COC2)CC1 ZINC000883382417 626667191 /nfs/dbraw/zinc/66/71/91/626667191.db2.gz GSJFJMDYIUGTND-HNNXBMFYSA-N 1 0 302.374 3.131 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804357222 626673060 /nfs/dbraw/zinc/67/30/60/626673060.db2.gz ADHHMQWSKRNPMT-GUTXKFCHSA-N 1 0 318.421 3.019 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804360871 626673674 /nfs/dbraw/zinc/67/36/74/626673674.db2.gz SMQPXXKXKHBTKN-UHFFFAOYSA-N 1 0 322.365 3.178 20 5 DGBDRO C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000804445871 626680155 /nfs/dbraw/zinc/68/01/55/626680155.db2.gz RUYWZYCCHLKTQO-ZDUSSCGKSA-N 1 0 314.389 3.109 20 5 DGBDRO CCCC[N@H+](CC)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131910456 626688318 /nfs/dbraw/zinc/68/83/18/626688318.db2.gz XLUYVZUHCRZWCU-UHFFFAOYSA-N 1 0 313.785 3.309 20 5 DGBDRO C[NH+]1CCC([C@@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000804580568 626694423 /nfs/dbraw/zinc/69/44/23/626694423.db2.gz YABPBINXGKHJMK-CYBMUJFWSA-N 1 0 323.824 3.416 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[N@H+]1CCCC[C@@H]1C ZINC000807926042 626778242 /nfs/dbraw/zinc/77/82/42/626778242.db2.gz FEQPWJXSSWLJSN-LBPRGKRZSA-N 1 0 305.378 3.084 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC000884485682 626888629 /nfs/dbraw/zinc/88/86/29/626888629.db2.gz DTLLVDPDILOTOY-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000840182105 626923215 /nfs/dbraw/zinc/92/32/15/626923215.db2.gz NQXRFJLJDZTHFG-JKSUJKDBSA-N 1 0 314.389 3.407 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000884717767 626934764 /nfs/dbraw/zinc/93/47/64/626934764.db2.gz LDNPOBXIDFBMGW-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809703692 626939185 /nfs/dbraw/zinc/93/91/85/626939185.db2.gz OIXTUOYWHPEPKM-OCCSQVGLSA-N 1 0 323.824 3.307 20 5 DGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809724767 626941813 /nfs/dbraw/zinc/94/18/13/626941813.db2.gz YPQHTTNNDLFEKK-WFASDCNBSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000809734529 626943005 /nfs/dbraw/zinc/94/30/05/626943005.db2.gz GOADHKUOJLYAHP-UHFFFAOYSA-N 1 0 305.403 3.238 20 5 DGBDRO C[C@@H](Cc1ccsc1)N(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734852 626943683 /nfs/dbraw/zinc/94/36/83/626943683.db2.gz MHDQUMDHMZTGLH-LBPRGKRZSA-N 1 0 305.403 3.053 20 5 DGBDRO C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000809968233 626963720 /nfs/dbraw/zinc/96/37/20/626963720.db2.gz RMXMJDIPOMEKJU-VIFPVBQESA-N 1 0 318.204 3.038 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H](CCO)C1CC1 ZINC000809976951 626965136 /nfs/dbraw/zinc/96/51/36/626965136.db2.gz XWJZKINMNMNZBC-GFCCVEGCSA-N 1 0 319.188 3.152 20 5 DGBDRO CC1(C2CC2)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000810064864 626973966 /nfs/dbraw/zinc/97/39/66/626973966.db2.gz YBTQUOXNVFWOLD-MRXNPFEDSA-N 1 0 304.390 3.140 20 5 DGBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000810852007 627055959 /nfs/dbraw/zinc/05/59/59/627055959.db2.gz OLOBPDBNHGFFAU-TZMCWYRMSA-N 1 0 324.764 3.032 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000885989209 627077338 /nfs/dbraw/zinc/07/73/38/627077338.db2.gz YLFATUFYKXSPEZ-ZDUSSCGKSA-N 1 0 301.321 3.118 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000886000064 627080153 /nfs/dbraw/zinc/08/01/53/627080153.db2.gz UJAIWQCOLJZPRU-INIZCTEOSA-N 1 0 311.385 3.445 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000886014281 627083413 /nfs/dbraw/zinc/08/34/13/627083413.db2.gz DFSGIQFQDNIQRI-UHFFFAOYSA-N 1 0 315.348 3.336 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000886104412 627105778 /nfs/dbraw/zinc/10/57/78/627105778.db2.gz BJAAVYLNONYVHA-OAHLLOKOSA-N 1 0 301.346 3.239 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000886226789 627123919 /nfs/dbraw/zinc/12/39/19/627123919.db2.gz RONORDPORRBBLR-HNNXBMFYSA-N 1 0 313.357 3.033 20 5 DGBDRO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000886268988 627128402 /nfs/dbraw/zinc/12/84/02/627128402.db2.gz HQARANPUEZBYMC-LBPRGKRZSA-N 1 0 315.348 3.291 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886676744 627187360 /nfs/dbraw/zinc/18/73/60/627187360.db2.gz LIVLCHFUUNKDLG-ZFWWWQNUSA-N 1 0 312.373 3.325 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cc(C2CC2)no1 ZINC000886686076 627189587 /nfs/dbraw/zinc/18/95/87/627189587.db2.gz JHYRCZKOGCHVLJ-SNVBAGLBSA-N 1 0 319.336 3.320 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cc(C2CC2)no1 ZINC000886686075 627189778 /nfs/dbraw/zinc/18/97/78/627189778.db2.gz JHYRCZKOGCHVLJ-JTQLQIEISA-N 1 0 319.336 3.320 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886702921 627195180 /nfs/dbraw/zinc/19/51/80/627195180.db2.gz HKJIWWKCEYMEFI-WFASDCNBSA-N 1 0 322.380 3.214 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000886822697 627208733 /nfs/dbraw/zinc/20/87/33/627208733.db2.gz UETOBWBIMFZEGD-IUODEOHRSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886977047 627217651 /nfs/dbraw/zinc/21/76/51/627217651.db2.gz XGJJOXKIFMPJTF-UHFFFAOYSA-N 1 0 324.808 3.423 20 5 DGBDRO CC[NH+](CC)CC(C)(C)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000813152705 627459488 /nfs/dbraw/zinc/45/94/88/627459488.db2.gz JZVMVWWUUVNTBY-UHFFFAOYSA-N 1 0 308.378 3.120 20 5 DGBDRO CC(C)[C@H](C)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171633 627461537 /nfs/dbraw/zinc/46/15/37/627461537.db2.gz OECLILJBGTWMBO-BBRMVZONSA-N 1 0 320.389 3.004 20 5 DGBDRO CC/C=C(\C)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173860 627461639 /nfs/dbraw/zinc/46/16/39/627461639.db2.gz LMXFDAJDWOORJE-RBBXRFMQSA-N 1 0 318.373 3.069 20 5 DGBDRO Cc1ccc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000813630709 627504505 /nfs/dbraw/zinc/50/45/05/627504505.db2.gz OZXRVFPMALDZHS-AWEZNQCLSA-N 1 0 303.406 3.214 20 5 DGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)[N@H+]1C ZINC000814929202 627609150 /nfs/dbraw/zinc/60/91/50/627609150.db2.gz OFPKENGVJVKVDR-AOOOYVTPSA-N 1 0 317.311 3.142 20 5 DGBDRO C[C@@H](NCC1([NH+](C)C)CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553546 627684107 /nfs/dbraw/zinc/68/41/07/627684107.db2.gz CNQPQTJJYFZLLU-CYBMUJFWSA-N 1 0 320.437 3.092 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553538 627684159 /nfs/dbraw/zinc/68/41/59/627684159.db2.gz CLCFMSYFQRVYJH-MLGOLLRUSA-N 1 0 311.385 3.385 20 5 DGBDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1(C)C ZINC000815585737 627688639 /nfs/dbraw/zinc/68/86/39/627688639.db2.gz QSLDIZOASUWRFE-FUEDEBDSSA-N 1 0 307.394 3.031 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815648746 627694667 /nfs/dbraw/zinc/69/46/67/627694667.db2.gz VVZARSCFSQMRQV-SWLSCSKDSA-N 1 0 321.421 3.016 20 5 DGBDRO C[C@H](c1ccc([N+](=O)[O-])cc1)N1CCOc2ccc(N)cc2C1 ZINC000925751246 627787713 /nfs/dbraw/zinc/78/77/13/627787713.db2.gz XTGKSQVWMKNDRN-GFCCVEGCSA-N 1 0 313.357 3.133 20 5 DGBDRO Cc1sccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000816481448 627795674 /nfs/dbraw/zinc/79/56/74/627795674.db2.gz WTKYWLRSQBGODW-UHFFFAOYSA-N 1 0 317.414 3.287 20 5 DGBDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926112643 627845812 /nfs/dbraw/zinc/84/58/12/627845812.db2.gz AQFRYPFWPYRUFK-HBYGRHMLSA-N 1 0 312.797 3.051 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817589535 627927281 /nfs/dbraw/zinc/92/72/81/627927281.db2.gz ODIHFZPBFDJSOL-DGCLKSJQSA-N 1 0 321.446 3.361 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1[N+](=O)[O-] ZINC000926942734 627986166 /nfs/dbraw/zinc/98/61/66/627986166.db2.gz PLOKLPZLLDKOFX-BVUBDWEXSA-N 1 0 302.374 3.145 20 5 DGBDRO Cc1cnc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000926959179 627989623 /nfs/dbraw/zinc/98/96/23/627989623.db2.gz KSCVVMUVXGBIFY-LBPRGKRZSA-N 1 0 300.362 3.040 20 5 DGBDRO C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000926964295 627991023 /nfs/dbraw/zinc/99/10/23/627991023.db2.gz RFEYJJIOYVRHEZ-GXFFZTMASA-N 1 0 319.327 3.128 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCCO1 ZINC000927016175 627998195 /nfs/dbraw/zinc/99/81/95/627998195.db2.gz UUYZWIPVQSQZIB-WBMJQRKESA-N 1 0 310.369 3.214 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000927139920 628024603 /nfs/dbraw/zinc/02/46/03/628024603.db2.gz ORIWMSKATIBZNH-QRQLOZEOSA-N 1 0 324.380 3.220 20 5 DGBDRO Cc1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000818978417 628071834 /nfs/dbraw/zinc/07/18/34/628071834.db2.gz JTTKSDDHBYKRSW-GOSISDBHSA-N 1 0 314.385 3.077 20 5 DGBDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819012866 628077495 /nfs/dbraw/zinc/07/74/95/628077495.db2.gz KKWHKWKBFWHSCW-WMZOPIPTSA-N 1 0 314.385 3.239 20 5 DGBDRO CCS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819133789 628097799 /nfs/dbraw/zinc/09/77/99/628097799.db2.gz RJBBVUQHYHHOHM-FVQBIDKESA-N 1 0 324.446 3.282 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(C(F)F)cc2)c1 ZINC000819234880 628118289 /nfs/dbraw/zinc/11/82/89/628118289.db2.gz HXPWTASGEIODGH-HNNXBMFYSA-N 1 0 322.311 3.356 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000819259309 628122486 /nfs/dbraw/zinc/12/24/86/628122486.db2.gz GPTCBIJHDQXSJQ-GOSISDBHSA-N 1 0 312.369 3.295 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000819283459 628126628 /nfs/dbraw/zinc/12/66/28/628126628.db2.gz SQVICTHULMXLHO-JFIYKMOQSA-N 1 0 312.369 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000819384023 628144853 /nfs/dbraw/zinc/14/48/53/628144853.db2.gz USNSXIXKRMXZIA-UXLLHSPISA-N 1 0 304.390 3.187 20 5 DGBDRO [NH3+]CC1(Cc2nc(-c3ccc([N+](=O)[O-])s3)no2)CCCCC1 ZINC000823069078 628522475 /nfs/dbraw/zinc/52/24/75/628522475.db2.gz CVXFQHRXRTYOGF-UHFFFAOYSA-N 1 0 322.390 3.158 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000824716699 628687133 /nfs/dbraw/zinc/68/71/33/628687133.db2.gz XVMGKJYVUYVNQU-FVQBIDKESA-N 1 0 324.808 3.374 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1(Cl)Cl ZINC000824773491 628692302 /nfs/dbraw/zinc/69/23/02/628692302.db2.gz LQHYLWWLTIODAV-NSHDSACASA-N 1 0 307.152 3.407 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1Cl ZINC000824845376 628699202 /nfs/dbraw/zinc/69/92/02/628699202.db2.gz KHPDCYCJYHIKQH-XJKSGUPXSA-N 1 0 324.808 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000824847124 628699837 /nfs/dbraw/zinc/69/98/37/628699837.db2.gz WNSGFBPPLASUQT-ZBFHGGJFSA-N 1 0 324.808 3.135 20 5 DGBDRO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1(CO)CC1 ZINC000826991190 628911002 /nfs/dbraw/zinc/91/10/02/628911002.db2.gz VGVAEOPTEMONGZ-QMMMGPOBSA-N 1 0 319.188 3.152 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]2CCCO[C@@H]21 ZINC000831328879 629363299 /nfs/dbraw/zinc/36/32/99/629363299.db2.gz QTUXIJAAQBXAFC-DFBGVHRSSA-N 1 0 308.353 3.027 20 5 DGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000831352993 629366496 /nfs/dbraw/zinc/36/64/96/629366496.db2.gz IPUAYTFDZRARFJ-LSDHHAIUSA-N 1 0 310.369 3.416 20 5 DGBDRO CC1(C)COC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000832175013 629447817 /nfs/dbraw/zinc/44/78/17/629447817.db2.gz GWICJFKQCVJADO-NSHDSACASA-N 1 0 319.188 3.416 20 5 DGBDRO CC(C)(C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832727675 629508324 /nfs/dbraw/zinc/50/83/24/629508324.db2.gz WLGVTWNPVSWRDB-CJNGLKHVSA-N 1 0 306.406 3.386 20 5 DGBDRO C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834885895 629797971 /nfs/dbraw/zinc/79/79/71/629797971.db2.gz YTXCNEMXKHKOLZ-QPUJVOFHSA-N 1 0 318.204 3.412 20 5 DGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834911983 629807380 /nfs/dbraw/zinc/80/73/80/629807380.db2.gz KYQUAIRXJQUFNL-SGIREYDYSA-N 1 0 307.394 3.175 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)nc1C ZINC000840785292 630358515 /nfs/dbraw/zinc/35/85/15/630358515.db2.gz XEJIMMZXCUOGFJ-GFCCVEGCSA-N 1 0 300.362 3.040 20 5 DGBDRO OC[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1O ZINC000840976483 630390446 /nfs/dbraw/zinc/39/04/46/630390446.db2.gz WWKZMHVBMSZUAQ-DYESRHJHSA-N 1 0 321.420 3.168 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841089534 630406879 /nfs/dbraw/zinc/40/68/79/630406879.db2.gz ODTOQVZYQOQWCP-LBPRGKRZSA-N 1 0 309.797 3.013 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1ccco1)CCCC2 ZINC000841744437 630461311 /nfs/dbraw/zinc/46/13/11/630461311.db2.gz NWVMJNNEFHRJDO-HOTGVXAUSA-N 1 0 316.357 3.279 20 5 DGBDRO CC(C)C(N)=[NH+]OCc1cccc([N+](=O)[O-])c1Br ZINC000842040084 630481592 /nfs/dbraw/zinc/48/15/92/630481592.db2.gz RCSWBORHXFXJOI-UHFFFAOYSA-N 1 0 316.155 3.012 20 5 DGBDRO C[C@@H]1SCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842929614 630595106 /nfs/dbraw/zinc/59/51/06/630595106.db2.gz NZIYGBUEIFZDRV-LRDDRELGSA-N 1 0 321.446 3.047 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000843054294 630609090 /nfs/dbraw/zinc/60/90/90/630609090.db2.gz JGDHLDZXABOSIL-UHFFFAOYSA-N 1 0 323.824 3.212 20 5 DGBDRO CSc1ccc(-c2nc([C@H]([NH3+])C(C)C)no2)cc1[N+](=O)[O-] ZINC000843154097 630621642 /nfs/dbraw/zinc/62/16/42/630621642.db2.gz XKLGVYPADYLFRM-LLVKDONJSA-N 1 0 308.363 3.023 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000844447374 630730747 /nfs/dbraw/zinc/73/07/47/630730747.db2.gz ZRHQRVULLPXZMF-SECBINFHSA-N 1 0 313.785 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CNc3ccccc3C2)c1 ZINC000844904621 630972736 /nfs/dbraw/zinc/97/27/36/630972736.db2.gz AEZXJBNMJSMMHN-ZDUSSCGKSA-N 1 0 317.776 3.375 20 5 DGBDRO Cc1c(-c2noc([C@@H]3CC[C@@H](C4CC4)[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000844918830 630980581 /nfs/dbraw/zinc/98/05/81/630980581.db2.gz FYARDBQBHQTMBS-STQMWFEESA-N 1 0 314.345 3.156 20 5 DGBDRO C[C@H](C(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000845734520 631193012 /nfs/dbraw/zinc/19/30/12/631193012.db2.gz GBCZZEQEGWQUSY-WFASDCNBSA-N 1 0 320.389 3.114 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@](C)(O)c1ccccc1 ZINC000846038367 631207440 /nfs/dbraw/zinc/20/74/40/631207440.db2.gz PTADCIDMVFJWPC-RDTXWAMCSA-N 1 0 314.385 3.289 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](OC2CCC2)C1 ZINC000847038295 631387480 /nfs/dbraw/zinc/38/74/80/631387480.db2.gz SYCFQHGSQMISKR-OAHLLOKOSA-N 1 0 308.353 3.267 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000848477168 631667971 /nfs/dbraw/zinc/66/79/71/631667971.db2.gz QGPDFEPBKOVUEC-INIZCTEOSA-N 1 0 312.373 3.290 20 5 DGBDRO COc1c(C)cccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848560138 631693058 /nfs/dbraw/zinc/69/30/58/631693058.db2.gz KFONPJPJXVHWEJ-LBPRGKRZSA-N 1 0 315.373 3.345 20 5 DGBDRO C[C@H](Cc1ccccn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000848567676 631695969 /nfs/dbraw/zinc/69/59/69/631695969.db2.gz ZNZKVQFGFVIKMW-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1Cl ZINC000848927636 631791180 /nfs/dbraw/zinc/79/11/80/631791180.db2.gz JLCUUYVTQHAGNQ-ZBFHGGJFSA-N 1 0 323.824 3.355 20 5 DGBDRO C[C@@H](CSCCF)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000850444033 632154327 /nfs/dbraw/zinc/15/43/27/632154327.db2.gz HDPIRSQNUJECHQ-VIFPVBQESA-N 1 0 306.790 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1COC3(CCC3)C1)CCC2 ZINC000850523219 632179063 /nfs/dbraw/zinc/17/90/63/632179063.db2.gz CTSGTZVYKGYNSV-BBRMVZONSA-N 1 0 302.374 3.273 20 5 DGBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850527463 632181428 /nfs/dbraw/zinc/18/14/28/632181428.db2.gz XPSCITKBVZLSFJ-GLZQIGESSA-N 1 0 313.357 3.006 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CCO ZINC000852458146 632606021 /nfs/dbraw/zinc/60/60/21/632606021.db2.gz BMYDAVKIWORVBH-SMDDNHRTSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000792941200 660995647 /nfs/dbraw/zinc/99/56/47/660995647.db2.gz SVBIZUJFQXZFGY-IBGZPJMESA-N 1 0 324.380 3.418 20 5 DGBDRO CC(C)[C@H]1[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000793004378 661000163 /nfs/dbraw/zinc/00/01/63/661000163.db2.gz LJBZJJMALIORIB-JKSUJKDBSA-N 1 0 304.390 3.139 20 5 DGBDRO Cc1cccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000793203770 661012526 /nfs/dbraw/zinc/01/25/26/661012526.db2.gz YBGGMUDRDRYFJD-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC([NH+]3CCCCC3)C2)c1 ZINC000795261186 661137279 /nfs/dbraw/zinc/13/72/79/661137279.db2.gz OHFIBLZEBOSSBU-UHFFFAOYSA-N 1 0 323.368 3.171 20 5 DGBDRO C[C@]1(c2ccccc2)CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000795670499 661166873 /nfs/dbraw/zinc/16/68/73/661166873.db2.gz IOZLXKOPMSIANB-KRWDZBQOSA-N 1 0 314.389 3.193 20 5 DGBDRO C[C@H](C[NH+]1CCCCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963650 655628357 /nfs/dbraw/zinc/62/83/57/655628357.db2.gz UUMJZXJIBYLBHU-GFCCVEGCSA-N 1 0 311.813 3.212 20 5 DGBDRO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000795686695 661167643 /nfs/dbraw/zinc/16/76/43/661167643.db2.gz HXXFMOFEQSQCAF-GVDBMIGSSA-N 1 0 312.373 3.017 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[NH+]3C[C@@H]4CCCC[C@H]4C3)c2c1 ZINC000176194084 655742896 /nfs/dbraw/zinc/74/28/96/655742896.db2.gz WRMTZOYAJTVBGC-KBPBESRZSA-N 1 0 300.362 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)c2c1 ZINC000176194052 655742911 /nfs/dbraw/zinc/74/29/11/655742911.db2.gz WRMTZOYAJTVBGC-OKILXGFUSA-N 1 0 300.362 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000176202832 655744882 /nfs/dbraw/zinc/74/48/82/655744882.db2.gz BEASSNRDVHMLMS-STQMWFEESA-N 1 0 300.362 3.024 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934834322 655807956 /nfs/dbraw/zinc/80/79/56/655807956.db2.gz QAJFYGIIKTUQFX-GOEBONIOSA-N 1 0 304.390 3.233 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000052926344 655846995 /nfs/dbraw/zinc/84/69/95/655846995.db2.gz GABKZODVTNORFO-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO C[C@H]1C[C@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000235690946 655923089 /nfs/dbraw/zinc/92/30/89/655923089.db2.gz NXWHICIKQCDUNF-DTWKUNHWSA-N 1 0 301.749 3.282 20 5 DGBDRO CC(C)CO[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000177415142 655924033 /nfs/dbraw/zinc/92/40/33/655924033.db2.gz SIMGRWCNGKNXLC-CQSZACIVSA-N 1 0 312.797 3.495 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(NCC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000236043189 655942883 /nfs/dbraw/zinc/94/28/83/655942883.db2.gz KYYUWAORGRUAPW-QMMMGPOBSA-N 1 0 304.177 3.313 20 5 DGBDRO C[C@](O)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000255898236 655963549 /nfs/dbraw/zinc/96/35/49/655963549.db2.gz ROERFWKAGWJLGJ-CNRGFGOASA-N 1 0 312.369 3.105 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000062979807 656434942 /nfs/dbraw/zinc/43/49/42/656434942.db2.gz FARCVLPQWAUKPX-AWEZNQCLSA-N 1 0 311.813 3.164 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000929230958 661289968 /nfs/dbraw/zinc/28/99/68/661289968.db2.gz DVODFJIJSMEWOA-AWEZNQCLSA-N 1 0 305.378 3.023 20 5 DGBDRO [NH3+]C1(c2noc(-c3cc(Cl)ccc3[N+](=O)[O-])n2)CCCC1 ZINC000261804264 657108558 /nfs/dbraw/zinc/10/85/58/657108558.db2.gz PJYJMXRKSWSUQL-UHFFFAOYSA-N 1 0 308.725 3.026 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000415135460 657619810 /nfs/dbraw/zinc/61/98/10/657619810.db2.gz JXBPSLZKGDUPGP-QGZVFWFLSA-N 1 0 303.406 3.046 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1O ZINC000897683620 658483143 /nfs/dbraw/zinc/48/31/43/658483143.db2.gz FQDSMPXFPXCDET-XHDPSFHLSA-N 1 0 318.398 3.136 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1O ZINC000897684592 658483981 /nfs/dbraw/zinc/48/39/81/658483981.db2.gz SDHZUFZIHIAGMS-IAQYHMDHSA-N 1 0 318.398 3.136 20 5 DGBDRO CC(C)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000055079422 658912472 /nfs/dbraw/zinc/91/24/72/658912472.db2.gz WWGMVTXKCMMZJQ-UHFFFAOYSA-N 1 0 311.813 3.022 20 5 DGBDRO CC[C@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000173900896 659404740 /nfs/dbraw/zinc/40/47/40/659404740.db2.gz VJVCTLDKRUYDQR-HOCLYGCPSA-N 1 0 314.389 3.265 20 5 DGBDRO CC[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)C(C)C ZINC000064111862 659442377 /nfs/dbraw/zinc/44/23/77/659442377.db2.gz UKRZHMLCPMMMNS-ZDUSSCGKSA-N 1 0 317.393 3.177 20 5 DGBDRO COC/C(C)=C/C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929748062 661334236 /nfs/dbraw/zinc/33/42/36/661334236.db2.gz HKKKXFQJUINQCK-VGOFMYFVSA-N 1 0 320.389 3.031 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCc3cccc4cccc2c43)n1 ZINC000931810871 661511787 /nfs/dbraw/zinc/51/17/87/661511787.db2.gz QDXYYJXPEDHSTG-INIZCTEOSA-N 1 0 322.368 3.222 20 5 DGBDRO Cc1ccc(C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)cc1[N+](=O)[O-] ZINC000932133849 661540630 /nfs/dbraw/zinc/54/06/30/661540630.db2.gz XYWGBEIFPPFSHL-HNNXBMFYSA-N 1 0 314.389 3.016 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1 ZINC000932177466 661544682 /nfs/dbraw/zinc/54/46/82/661544682.db2.gz YFCHYUCOFPIPAP-WQAKAFBOSA-N 1 0 318.295 3.355 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)[C@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932178508 661544986 /nfs/dbraw/zinc/54/49/86/661544986.db2.gz OAWKYYWSMQHBAJ-HBUWYVDXSA-N 1 0 314.385 3.410 20 5 DGBDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000932275375 661555818 /nfs/dbraw/zinc/55/58/18/661555818.db2.gz OXOFTKJHZBHBOP-XJKSGUPXSA-N 1 0 314.389 3.096 20 5 DGBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000932370552 661562517 /nfs/dbraw/zinc/56/25/17/661562517.db2.gz UBQXADWNPAUTOG-GFCCVEGCSA-N 1 0 310.394 3.285 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000932379689 661563932 /nfs/dbraw/zinc/56/39/32/661563932.db2.gz NRFWJNPZYQPTFC-QGZVFWFLSA-N 1 0 313.357 3.110 20 5 DGBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932564200 661580274 /nfs/dbraw/zinc/58/02/74/661580274.db2.gz TVOWBHGNQBKDAK-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000934208965 661688151 /nfs/dbraw/zinc/68/81/51/661688151.db2.gz HKUNWHLGPOFZAG-HOTGVXAUSA-N 1 0 319.405 3.035 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934333899 661698768 /nfs/dbraw/zinc/69/87/68/661698768.db2.gz RNCHCSVMOLDPCR-CQSZACIVSA-N 1 0 317.414 3.158 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934834747 661739036 /nfs/dbraw/zinc/73/90/36/661739036.db2.gz RXVDLPIPQFGGJF-DZGCQCFKSA-N 1 0 322.380 3.373 20 5 DGBDRO Cn1cnnc1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000042228698 661838878 /nfs/dbraw/zinc/83/88/78/661838878.db2.gz BMKMFLCRBSTBFW-UHFFFAOYSA-N 1 0 302.381 3.411 20 5 DGBDRO CC(C)CN(CC[NH+](C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042763812 661841999 /nfs/dbraw/zinc/84/19/99/661841999.db2.gz LRYBOXDGYLTUJY-UHFFFAOYSA-N 1 0 313.829 3.268 20 5 DGBDRO CC1(C)C[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001576475892 1191826257 /nfs/dbraw/zinc/82/62/57/1191826257.db2.gz BVAGDWPJTCBUDZ-CQSZACIVSA-N 1 0 312.373 3.067 20 5 DGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH3+])c1 ZINC001579393336 1191975733 /nfs/dbraw/zinc/97/57/33/1191975733.db2.gz PAWUDVSBZFSNNC-UHFFFAOYSA-N 1 0 317.370 3.028 20 5 DGBDRO Cc1c(NC(=O)[C@@H]([NH3+])C2CCCCCC2)cccc1[N+](=O)[O-] ZINC001579538240 1191979087 /nfs/dbraw/zinc/97/90/87/1191979087.db2.gz RLLXWRRATIZPJS-HNNXBMFYSA-N 1 0 305.378 3.139 20 5 DGBDRO [NH3+]C[C@@H]1CCCC12CCN(c1ccc(F)cc1[N+](=O)[O-])CC2 ZINC001580261187 1192017192 /nfs/dbraw/zinc/01/71/92/1192017192.db2.gz XCOAUGIMBYBOBR-LBPRGKRZSA-N 1 0 307.369 3.079 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1 ZINC001580876025 1192043358 /nfs/dbraw/zinc/04/33/58/1192043358.db2.gz XCMMSVBIKSXFDR-IAGOWNOFSA-N 1 0 315.348 3.292 20 5 DGBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001620817161 1192138726 /nfs/dbraw/zinc/13/87/26/1192138726.db2.gz KWACMOKHPMOVHS-OAHLLOKOSA-N 1 0 318.373 3.351 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNc1cc(N(C)C)cc[nH+]1 ZINC001620875187 1192508287 /nfs/dbraw/zinc/50/82/87/1192508287.db2.gz VBTOVLOSJDCCDD-UHFFFAOYSA-N 1 0 300.362 3.285 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000480064336 1178061523 /nfs/dbraw/zinc/06/15/23/1178061523.db2.gz STOQBAGMULCFRU-NHYWBVRUSA-N 1 0 317.389 3.082 20 5 DGBDRO O=[N+]([O-])CC[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001332996754 1178536174 /nfs/dbraw/zinc/53/61/74/1178536174.db2.gz RTMWQBNRGOANRM-AAEUAGOBSA-N 1 0 302.296 3.208 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N(C)C)cc1[N+](=O)[O-] ZINC001333478266 1178611765 /nfs/dbraw/zinc/61/17/65/1178611765.db2.gz LCPAARJNDXDRKT-BPUTZDHNSA-N 1 0 305.422 3.427 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[NH+]1CCCC1 ZINC001335836749 1178961878 /nfs/dbraw/zinc/96/18/78/1178961878.db2.gz FQENQRBLFZHBLG-CYBMUJFWSA-N 1 0 323.462 3.453 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001343321683 1179255572 /nfs/dbraw/zinc/25/55/72/1179255572.db2.gz XWTMZVBDDDQQNJ-SOUVJXGZSA-N 1 0 303.406 3.070 20 5 DGBDRO CC[N@H+](CC[N+](=O)[O-])[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001643905256 1195062164 /nfs/dbraw/zinc/06/21/64/1195062164.db2.gz OKTDMMJPYBEWPT-LLVKDONJSA-N 1 0 304.312 3.235 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](CF)C2)c(Br)c1 ZINC001352943524 1180427899 /nfs/dbraw/zinc/42/78/99/1180427899.db2.gz ARSIDHAIHOSVJT-SECBINFHSA-N 1 0 317.158 3.149 20 5 DGBDRO CC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001472637597 1180781519 /nfs/dbraw/zinc/78/15/19/1180781519.db2.gz ZXVVNUGTOBBMDJ-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO Cc1ccc(NCCCCc2cc[nH+]c(N)c2)c([N+](=O)[O-])c1 ZINC001472889032 1180938881 /nfs/dbraw/zinc/93/88/81/1180938881.db2.gz QZZXUAKLQBMZEX-UHFFFAOYSA-N 1 0 300.362 3.315 20 5 DGBDRO C[NH+](C)C[C@@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001356498387 1181202949 /nfs/dbraw/zinc/20/29/49/1181202949.db2.gz DQSHKTHBYQSJER-JTQLQIEISA-N 1 0 317.311 3.002 20 5 DGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001474626519 1181595323 /nfs/dbraw/zinc/59/53/23/1181595323.db2.gz NGOXYFOSFUMRAD-NZPGVSJUSA-N 1 0 318.417 3.463 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001456439864 1182416854 /nfs/dbraw/zinc/41/68/54/1182416854.db2.gz CEHJSAJXZFVCBC-UHFFFAOYSA-N 1 0 310.313 3.112 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1(C)C ZINC001458450634 1182524943 /nfs/dbraw/zinc/52/49/43/1182524943.db2.gz HZTBSGRGMAZNTA-CABCVRRESA-N 1 0 314.389 3.284 20 5 DGBDRO O=[N+]([O-])c1ccsc1N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001458717883 1182549693 /nfs/dbraw/zinc/54/96/93/1182549693.db2.gz IZWZKLCDEFWFSX-LBPRGKRZSA-N 1 0 323.805 3.461 20 5 DGBDRO Cn1cc(C[N@@H+]2CCC[C@H]2CCC2CCCC2)c([N+](=O)[O-])n1 ZINC001459769337 1182613223 /nfs/dbraw/zinc/61/32/23/1182613223.db2.gz GROWIQBLQWFVNU-HNNXBMFYSA-N 1 0 306.410 3.263 20 5 DGBDRO CCOc1cc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC001460123234 1182654333 /nfs/dbraw/zinc/65/43/33/1182654333.db2.gz OSXCLKJVIVKZEJ-RDJZCZTQSA-N 1 0 322.405 3.287 20 5 DGBDRO Cc1c(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC001460309085 1182675763 /nfs/dbraw/zinc/67/57/63/1182675763.db2.gz AWAHDFRXJPMLIZ-OAHLLOKOSA-N 1 0 322.405 3.359 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c1 ZINC001460860878 1182732500 /nfs/dbraw/zinc/73/25/00/1182732500.db2.gz PDDPBGZNQVBLCQ-YJBOKZPZSA-N 1 0 316.401 3.484 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001460957402 1182745585 /nfs/dbraw/zinc/74/55/85/1182745585.db2.gz ZQEHLDGJGZMQEN-IAGOWNOFSA-N 1 0 320.389 3.007 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001460957406 1182745633 /nfs/dbraw/zinc/74/56/33/1182745633.db2.gz ZQEHLDGJGZMQEN-SJORKVTESA-N 1 0 320.389 3.007 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCC(C)CC1 ZINC001461046048 1182761036 /nfs/dbraw/zinc/76/10/36/1182761036.db2.gz VXXNHTCPCSSZOI-UHFFFAOYSA-N 1 0 305.422 3.033 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCSCC1 ZINC001461382756 1182802390 /nfs/dbraw/zinc/80/23/90/1182802390.db2.gz NTYRKKJHTQYLLJ-UHFFFAOYSA-N 1 0 300.811 3.276 20 5 DGBDRO C[C@@H]([NH2+]Cc1cn2ccnc2s1)c1ccccc1[N+](=O)[O-] ZINC001461727827 1182845988 /nfs/dbraw/zinc/84/59/88/1182845988.db2.gz GASVRWLNCJTSDO-SNVBAGLBSA-N 1 0 302.359 3.155 20 5 DGBDRO Cc1cccc2c1OC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C2 ZINC001462306627 1182936546 /nfs/dbraw/zinc/93/65/46/1182936546.db2.gz LSSFSTIDKMJQAD-MRXNPFEDSA-N 1 0 312.369 3.039 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC2CCC3(CC3)CC2)c1[N+](=O)[O-] ZINC001462474931 1182958440 /nfs/dbraw/zinc/95/84/40/1182958440.db2.gz CNFIOCMSTIIUJT-UHFFFAOYSA-N 1 0 320.389 3.369 20 5 DGBDRO CCOC(OCC)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001462685583 1182985203 /nfs/dbraw/zinc/98/52/03/1182985203.db2.gz IMOUPBKSJKKUOT-JTQLQIEISA-N 1 0 316.785 3.125 20 5 DGBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001621334598 1193201379 /nfs/dbraw/zinc/20/13/79/1193201379.db2.gz QLCPTEQVYNLQNK-ZDUSSCGKSA-N 1 0 311.813 3.164 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001472134572 1183619521 /nfs/dbraw/zinc/61/95/21/1183619521.db2.gz YODSBYXPDJFVBR-UHFFFAOYSA-N 1 0 324.340 3.420 20 5 DGBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])c3ccccc32)CCCC1 ZINC001472651694 1183661952 /nfs/dbraw/zinc/66/19/52/1183661952.db2.gz CRGRIEFCXLMISY-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)C[NH+]1CCCC1 ZINC001472662576 1183662974 /nfs/dbraw/zinc/66/29/74/1183662974.db2.gz ATZHLLOWELVWAK-ZDUSSCGKSA-N 1 0 318.421 3.012 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001472668753 1183663606 /nfs/dbraw/zinc/66/36/06/1183663606.db2.gz XJBOZKKATWSJSK-NWDGAFQWSA-N 1 0 317.393 3.003 20 5 DGBDRO Cc1cnc(N(CC[NH+](C)C)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC001472738672 1183674697 /nfs/dbraw/zinc/67/46/97/1183674697.db2.gz CVPLUUNDTMJWJL-UHFFFAOYSA-N 1 0 320.437 3.247 20 5 DGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001472776468 1183679992 /nfs/dbraw/zinc/67/99/92/1183679992.db2.gz VHHCESHBUITPKV-CQSZACIVSA-N 1 0 322.365 3.035 20 5 DGBDRO Cc1cc(NC[C@H]2CC[N@@H+]2C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC001472848310 1183689516 /nfs/dbraw/zinc/68/95/16/1183689516.db2.gz ZNCDUECKBWCOCR-CYBMUJFWSA-N 1 0 307.369 3.471 20 5 DGBDRO CC1(C)CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001472883845 1183694917 /nfs/dbraw/zinc/69/49/17/1183694917.db2.gz IKEVMRYZDCBBHR-UHFFFAOYSA-N 1 0 304.177 3.090 20 5 DGBDRO O=[N+]([O-])CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001473322740 1183743281 /nfs/dbraw/zinc/74/32/81/1183743281.db2.gz XLXPUIVGPAPEDV-INIZCTEOSA-N 1 0 304.777 3.490 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC001473365346 1183749235 /nfs/dbraw/zinc/74/92/35/1183749235.db2.gz NDXVIMZBEAXSKC-STQMWFEESA-N 1 0 319.405 3.290 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CCCC[C@@H]2C)c1 ZINC001473383004 1183750315 /nfs/dbraw/zinc/75/03/15/1183750315.db2.gz BWCFKZKNDKALHP-WFASDCNBSA-N 1 0 320.389 3.392 20 5 DGBDRO C[C@]1(c2ccc(C(F)(F)F)cc2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001473722880 1183793088 /nfs/dbraw/zinc/79/30/88/1183793088.db2.gz RFRWSCOQVUJBLZ-CYBMUJFWSA-N 1 0 302.296 3.293 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCSC[C@@H]2C2CC2)cc1 ZINC001473843809 1183810423 /nfs/dbraw/zinc/81/04/23/1183810423.db2.gz MADQMPLFZGIDQT-MRXNPFEDSA-N 1 0 306.431 3.355 20 5 DGBDRO Cc1cccnc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001473879717 1183817805 /nfs/dbraw/zinc/81/78/05/1183817805.db2.gz LSQOIOXPYFBKOE-ZDUSSCGKSA-N 1 0 301.346 3.028 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC001474713024 1183966698 /nfs/dbraw/zinc/96/66/98/1183966698.db2.gz PICGYLFNYFMVIS-VXGBXAGGSA-N 1 0 308.378 3.177 20 5 DGBDRO COc1cc(NCC[NH+]2CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC001611794445 1193441946 /nfs/dbraw/zinc/44/19/46/1193441946.db2.gz ZWRRQTNLFNCBQW-UHFFFAOYSA-N 1 0 313.785 3.155 20 5 DGBDRO C[NH+](C)[C@@H](CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC001611939773 1193443695 /nfs/dbraw/zinc/44/36/95/1193443695.db2.gz MOVAHOLSNJZBOA-ZDUSSCGKSA-N 1 0 317.311 3.366 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001516620815 1186788013 /nfs/dbraw/zinc/78/80/13/1186788013.db2.gz GACXMFMEVNCNTO-LBPRGKRZSA-N 1 0 317.393 3.070 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001517244306 1186807476 /nfs/dbraw/zinc/80/74/76/1186807476.db2.gz SYKUMLFMVQSZOJ-CYBMUJFWSA-N 1 0 322.409 3.145 20 5 DGBDRO O=[N+]([O-])c1ccc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc1 ZINC001612513352 1193453312 /nfs/dbraw/zinc/45/33/12/1193453312.db2.gz PHCXZIXMSMNRST-APWZRJJASA-N 1 0 323.396 3.306 20 5 DGBDRO Cc1cc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC001612738267 1193460437 /nfs/dbraw/zinc/46/04/37/1193460437.db2.gz CHZWBKXNGDYMNP-UHFFFAOYSA-N 1 0 323.396 3.225 20 5 DGBDRO CC[N@@H+]1CC[C@@H]1CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001612809723 1193461485 /nfs/dbraw/zinc/46/14/85/1193461485.db2.gz CIEWVCAAFFNSGN-SECBINFHSA-N 1 0 303.284 3.120 20 5 DGBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC001617359234 1193566524 /nfs/dbraw/zinc/56/65/24/1193566524.db2.gz FEVDTEWSCULCKM-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2[C@H](C)CCC[C@H]2C)c1 ZINC001617798372 1193581190 /nfs/dbraw/zinc/58/11/90/1193581190.db2.gz BUKPIBMTJNVRDL-VXGBXAGGSA-N 1 0 320.389 3.296 20 5 DGBDRO CC[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001559258241 1189187725 /nfs/dbraw/zinc/18/77/25/1189187725.db2.gz XMPPKRNTSKBNOT-GXSJLCMTSA-N 1 0 317.311 3.190 20 5 DGBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001559830721 1189247688 /nfs/dbraw/zinc/24/76/88/1189247688.db2.gz KZFGEOANEMMOEW-GFCCVEGCSA-N 1 0 302.296 3.162 20 5 DGBDRO CC(C)(C)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001559902645 1189255178 /nfs/dbraw/zinc/25/51/78/1189255178.db2.gz BZVNMLOHZZIOOF-CYBMUJFWSA-N 1 0 308.426 3.328 20 5 DGBDRO CCOc1cc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001560076224 1189275312 /nfs/dbraw/zinc/27/53/12/1189275312.db2.gz YMIAHWUKEYUWSR-GASCZTMLSA-N 1 0 302.374 3.392 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(N(C)C)CCCC1 ZINC001560251948 1189298939 /nfs/dbraw/zinc/29/89/39/1189298939.db2.gz LQFFCVYFUOVQRC-UHFFFAOYSA-N 1 0 305.422 3.176 20 5 DGBDRO C[C@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001560275078 1189303122 /nfs/dbraw/zinc/30/31/22/1189303122.db2.gz XUDIYQXDCJNTIM-LBPRGKRZSA-N 1 0 323.356 3.231 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC001560353201 1189316471 /nfs/dbraw/zinc/31/64/71/1189316471.db2.gz DIPBGARYXGNFMD-LBPRGKRZSA-N 1 0 304.321 3.291 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC001560564998 1189342417 /nfs/dbraw/zinc/34/24/17/1189342417.db2.gz PZSQFUNENJMGKS-INIZCTEOSA-N 1 0 322.405 3.024 20 5 DGBDRO CC(C)[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001561056758 1189428973 /nfs/dbraw/zinc/42/89/73/1189428973.db2.gz CFXRAXBOMHRTGX-DLBZAZTESA-N 1 0 303.406 3.198 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CN1CCCCC1 ZINC001620715151 1193794409 /nfs/dbraw/zinc/79/44/09/1193794409.db2.gz JWDTZPPAFUCEJI-AWEZNQCLSA-N 1 0 305.422 3.176 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOc2ccc3c(c2)CCC3)c1 ZINC001620738429 1193796890 /nfs/dbraw/zinc/79/68/90/1193796890.db2.gz QYGHFRBBGSWRRQ-UHFFFAOYSA-N 1 0 312.369 3.252 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccnn2-c2ccccc2)c1 ZINC001621074216 1193798947 /nfs/dbraw/zinc/79/89/47/1193798947.db2.gz PTSSNBYSDBMBCZ-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001621113283 1193804855 /nfs/dbraw/zinc/80/48/55/1193804855.db2.gz CPXZOZSSFFBOTI-INIZCTEOSA-N 1 0 319.449 3.375 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC1(C)C ZINC001621388156 1193836775 /nfs/dbraw/zinc/83/67/75/1193836775.db2.gz ZEIGOLDYJDFQOX-HNNXBMFYSA-N 1 0 319.449 3.380 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC001621527527 1193854455 /nfs/dbraw/zinc/85/44/55/1193854455.db2.gz SVRWZAGDHFQCMP-HOCLYGCPSA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000036925911 1193923485 /nfs/dbraw/zinc/92/34/85/1193923485.db2.gz DUOQHIDEBCDNAE-NSHDSACASA-N 1 0 312.801 3.320 20 5 DGBDRO CCc1ccc(C(=O)Nc2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC001636202645 1194599678 /nfs/dbraw/zinc/59/96/78/1194599678.db2.gz JMTVECKPSMGWAR-UHFFFAOYSA-N 1 0 310.313 3.057 20 5 DGBDRO COc1cc(NCC[N@@H+]2CCC[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC001639551444 1194771313 /nfs/dbraw/zinc/77/13/13/1194771313.db2.gz PARIKOBZNHAPJK-JTQLQIEISA-N 1 0 313.785 3.153 20 5 DGBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001639572061 1194771910 /nfs/dbraw/zinc/77/19/10/1194771910.db2.gz AHMPYHYIGRMQTM-UHFFFAOYSA-N 1 0 316.704 3.148 20 5 DGBDRO Cc1cc(NC(=O)CC[N@@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC001640647012 1194823184 /nfs/dbraw/zinc/82/31/84/1194823184.db2.gz OMOYGDXELXMPCE-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO CCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC001641817401 1194872887 /nfs/dbraw/zinc/87/28/87/1194872887.db2.gz UILYUTNDQZMFQJ-HUUCEWRRSA-N 1 0 321.421 3.405 20 5 DGBDRO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001642419287 1194909840 /nfs/dbraw/zinc/90/98/40/1194909840.db2.gz DSJRNWZKFZECNN-AWEZNQCLSA-N 1 0 304.390 3.486 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001643090745 1194969782 /nfs/dbraw/zinc/96/97/82/1194969782.db2.gz XZNJGKNHXDPETM-UONOGXRCSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001644481758 1195112021 /nfs/dbraw/zinc/11/20/21/1195112021.db2.gz ZGEQOJSYIDZUJY-APWZRJJASA-N 1 0 324.380 3.247 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC001644690337 1195127080 /nfs/dbraw/zinc/12/70/80/1195127080.db2.gz BGCHBCBOHUTIQA-RDJZCZTQSA-N 1 0 322.405 3.239 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC001644690335 1195127405 /nfs/dbraw/zinc/12/74/05/1195127405.db2.gz BGCHBCBOHUTIQA-DOTOQJQBSA-N 1 0 322.405 3.239 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC12CCCCC2 ZINC001645733291 1195199851 /nfs/dbraw/zinc/19/98/51/1195199851.db2.gz WICVRBPUQGYYIC-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001646147290 1195215449 /nfs/dbraw/zinc/21/54/49/1195215449.db2.gz MZBPUIPEGCKDCC-UHFFFAOYSA-N 1 0 322.405 3.493 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001648277079 1195288654 /nfs/dbraw/zinc/28/86/54/1195288654.db2.gz FVVSSEJNDMOMJZ-XNRPHZJLSA-N 1 0 320.389 3.225 20 5 DGBDRO COC(=O)[C@H]1CCCC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001648277077 1195288771 /nfs/dbraw/zinc/28/87/71/1195288771.db2.gz FVVSSEJNDMOMJZ-INWMFGNUSA-N 1 0 320.389 3.225 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001650627437 1195366127 /nfs/dbraw/zinc/36/61/27/1195366127.db2.gz NHRAXMFKHGZPHK-CYBMUJFWSA-N 1 0 318.421 3.012 20 5 DGBDRO COc1cc(C[NH2+]CCc2sccc2C)c([N+](=O)[O-])cc1O ZINC001650847648 1195388787 /nfs/dbraw/zinc/38/87/87/1195388787.db2.gz UVZIVKOBGBZMCK-UHFFFAOYSA-N 1 0 322.386 3.011 20 5 DGBDRO CCc1cc(N(C)CCc2ccccc2[N+](=O)[O-])nc(CC)n1 ZINC001651049887 1195407704 /nfs/dbraw/zinc/40/77/04/1195407704.db2.gz CZTORSMPDSSAMW-UHFFFAOYSA-N 1 0 314.389 3.189 20 5 DGBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001651827663 1195513715 /nfs/dbraw/zinc/51/37/15/1195513715.db2.gz YLLTWBPJULWJNK-GFCCVEGCSA-N 1 0 306.410 3.009 20 5 DGBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001651851661 1195516418 /nfs/dbraw/zinc/51/64/18/1195516418.db2.gz ANTLGUJBHXOSLY-UHFFFAOYSA-N 1 0 320.437 3.327 20 5 DGBDRO C[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC001652066675 1195543326 /nfs/dbraw/zinc/54/33/26/1195543326.db2.gz CGQWOIPIGGIQBQ-CQSZACIVSA-N 1 0 305.422 3.399 20 5 DGBDRO Cc1cc(NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001652095233 1195546685 /nfs/dbraw/zinc/54/66/85/1195546685.db2.gz HHNOIPXLCBGPIU-JTQLQIEISA-N 1 0 317.311 3.428 20 5 DGBDRO CCC[C@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001652159684 1195555134 /nfs/dbraw/zinc/55/51/34/1195555134.db2.gz NJBHJUOIIUCRBG-NSHDSACASA-N 1 0 317.311 3.192 20 5 DGBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1C ZINC001652248935 1195568708 /nfs/dbraw/zinc/56/87/08/1195568708.db2.gz XSJRQEBJLHADJX-KCJUWKMLSA-N 1 0 303.284 3.118 20 5 DGBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1C ZINC001652248937 1195568742 /nfs/dbraw/zinc/56/87/42/1195568742.db2.gz XSJRQEBJLHADJX-LDYMZIIASA-N 1 0 303.284 3.118 20 5 DGBDRO [NH3+]CCN(Cc1ccc2[nH]ccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001652380340 1195589451 /nfs/dbraw/zinc/58/94/51/1195589451.db2.gz FWZCFXDLCFWBRA-UHFFFAOYSA-N 1 0 310.357 3.041 20 5 DGBDRO Cc1ccc([C@H](C)CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC001652380278 1195589741 /nfs/dbraw/zinc/58/97/41/1195589741.db2.gz CKGRXGJGUOQZNM-OAHLLOKOSA-N 1 0 313.401 3.472 20 5 DGBDRO COc1ccc(CC[N@H+](CC[N+](=O)[O-])Cc2ccccc2)cc1 ZINC001652437593 1195596968 /nfs/dbraw/zinc/59/69/68/1195596968.db2.gz LJFURUBVYXVHPB-UHFFFAOYSA-N 1 0 314.385 3.017 20 5 DGBDRO C[C@H]1CCCC[C@H]1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001652628320 1195629240 /nfs/dbraw/zinc/62/92/40/1195629240.db2.gz NAOQYVOKFGBLHY-KBPBESRZSA-N 1 0 304.390 3.484 20 5 DGBDRO CC1(C)C[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001652651848 1195631837 /nfs/dbraw/zinc/63/18/37/1195631837.db2.gz RGFWFEUBJNLAQQ-QMMMGPOBSA-N 1 0 305.197 3.307 20 5 DGBDRO C[C@@H]([NH2+]C1CC(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001653094068 1195687567 /nfs/dbraw/zinc/68/75/67/1195687567.db2.gz JXLGEQKCOJIHOM-LMWSTFAQSA-N 1 0 320.389 3.366 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c1 ZINC001653366497 1195714878 /nfs/dbraw/zinc/71/48/78/1195714878.db2.gz IVKRETKLIRFZCA-YWPYICTPSA-N 1 0 320.389 3.296 20 5 DGBDRO CO[C@]1(C)C[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653446315 1195723285 /nfs/dbraw/zinc/72/32/85/1195723285.db2.gz YORDVECJWGJTRD-DOTOQJQBSA-N 1 0 322.405 3.109 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001654500875 1195810083 /nfs/dbraw/zinc/81/00/83/1195810083.db2.gz UVZKGCISYAPCSL-ZACQAIPSSA-N 1 0 309.369 3.225 20 5 DGBDRO C[C@@H]1CCC[C@H](C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC001654504343 1195811917 /nfs/dbraw/zinc/81/19/17/1195811917.db2.gz XLFCGLBXVQPCBY-KEYYUXOJSA-N 1 0 306.406 3.218 20 5 DGBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](CO)c1ccccc1 ZINC001654616852 1195822678 /nfs/dbraw/zinc/82/26/78/1195822678.db2.gz PQRYUIKTYMJKCQ-GOSISDBHSA-N 1 0 314.385 3.459 20 5 DGBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCC2CCCC2)CC1 ZINC001654650470 1195827281 /nfs/dbraw/zinc/82/72/81/1195827281.db2.gz RUJGPDVAPSXBII-UHFFFAOYSA-N 1 0 318.421 3.082 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)n1 ZINC001654969623 1195859992 /nfs/dbraw/zinc/85/99/92/1195859992.db2.gz ZFNOEVYMZHGJAR-INIZCTEOSA-N 1 0 320.437 3.467 20 5 DGBDRO C[C@H](NCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001655554346 1195931019 /nfs/dbraw/zinc/93/10/19/1195931019.db2.gz DWZZDNWGEQUUIN-KFWWJZLASA-N 1 0 305.422 3.223 20 5 DGBDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001655690821 1195950344 /nfs/dbraw/zinc/95/03/44/1195950344.db2.gz RDBAUGCBPSAOCT-HNNXBMFYSA-N 1 0 318.373 3.351 20 5 DGBDRO C[C@]12C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001655743804 1195958717 /nfs/dbraw/zinc/95/87/17/1195958717.db2.gz JIQQYJFBSHPKHK-JTOWHCCKSA-N 1 0 314.385 3.118 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001656385127 1196034669 /nfs/dbraw/zinc/03/46/69/1196034669.db2.gz YWUCJQVMDHRZFT-CQSZACIVSA-N 1 0 306.362 3.146 20 5 DGBDRO COc1cc(C[NH2+]CCC[C@@H]2C=CCC2)c([N+](=O)[O-])cc1O ZINC001656893685 1196080398 /nfs/dbraw/zinc/08/03/98/1196080398.db2.gz JJCZFHLNIIMPIY-GFCCVEGCSA-N 1 0 306.362 3.145 20 5 DGBDRO CC(C)C[C@@H](C)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001656977415 1196089247 /nfs/dbraw/zinc/08/92/47/1196089247.db2.gz ZLTJFWMHQJJWCW-OAHLLOKOSA-N 1 0 305.422 3.399 20 5 DGBDRO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001657166150 1196114216 /nfs/dbraw/zinc/11/42/16/1196114216.db2.gz ZMPJYQIOTSNPIF-NWDGAFQWSA-N 1 0 300.305 3.330 20 5 DGBDRO CCc1nn(C)cc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001657337118 1196132096 /nfs/dbraw/zinc/13/20/96/1196132096.db2.gz PHARSOHJULNQDG-UHFFFAOYSA-N 1 0 316.405 3.003 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CN(CCOC1CCCCC1)CC2 ZINC001657538903 1196153417 /nfs/dbraw/zinc/15/34/17/1196153417.db2.gz FXSZYQBRWOZCGJ-UHFFFAOYSA-N 1 0 304.390 3.302 20 5 DGBDRO C[C@H]1C[C@H](C)C[NH+](CCN(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001658392312 1196250437 /nfs/dbraw/zinc/25/04/37/1196250437.db2.gz JTASOIRTGRZMHP-HOTGVXAUSA-N 1 0 319.449 3.047 20 5 DGBDRO Cc1cccn2c(C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])cnc12 ZINC001658537017 1196270648 /nfs/dbraw/zinc/27/06/48/1196270648.db2.gz DYVZGKNFUCBUPN-ZDUSSCGKSA-N 1 0 310.357 3.402 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC1CCC1 ZINC001658575140 1196276096 /nfs/dbraw/zinc/27/60/96/1196276096.db2.gz ADOPSOLSJZJPFG-CYBMUJFWSA-N 1 0 319.405 3.482 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001658576514 1196276133 /nfs/dbraw/zinc/27/61/33/1196276133.db2.gz ONRFAQPQAVNUNW-CHWSQXEVSA-N 1 0 319.405 3.338 20 5 DGBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001658598734 1196279091 /nfs/dbraw/zinc/27/90/91/1196279091.db2.gz MJSAOBNLHPMRRW-SDNTUTLCSA-N 1 0 304.390 3.073 20 5 DGBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001658598733 1196279179 /nfs/dbraw/zinc/27/91/79/1196279179.db2.gz MJSAOBNLHPMRRW-JFOHDYCDSA-N 1 0 304.390 3.073 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC001659106409 1196345811 /nfs/dbraw/zinc/34/58/11/1196345811.db2.gz LDDYZKYGHFOCEF-OAHLLOKOSA-N 1 0 323.824 3.355 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC001659324299 1196371069 /nfs/dbraw/zinc/37/10/69/1196371069.db2.gz CUNGUHKWFVUCHI-QGZVFWFLSA-N 1 0 306.406 3.459 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@]2(C)CCCC[C@H]2C)c1[N+](=O)[O-] ZINC001659389824 1196378872 /nfs/dbraw/zinc/37/88/72/1196378872.db2.gz RSGILKNVNYENBJ-BDJLRTHQSA-N 1 0 308.378 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1 ZINC001659889650 1196426252 /nfs/dbraw/zinc/42/62/52/1196426252.db2.gz QYGLQUDTZBWLFH-BPUTZDHNSA-N 1 0 324.808 3.374 20 5 DGBDRO Cc1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC001659912911 1196428780 /nfs/dbraw/zinc/42/87/80/1196428780.db2.gz LXIUKYMJKSMOMD-INIZCTEOSA-N 1 0 304.390 3.485 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)cc1 ZINC001660417227 1196480985 /nfs/dbraw/zinc/48/09/85/1196480985.db2.gz XFFAOHKPFONKRF-YJBOKZPZSA-N 1 0 316.401 3.484 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001660495162 1196491129 /nfs/dbraw/zinc/49/11/29/1196491129.db2.gz SNHVRWFGCGHJPA-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(O)(C(C)C)CC1 ZINC001660627127 1196505599 /nfs/dbraw/zinc/50/55/99/1196505599.db2.gz ZVOCKAWWEODUIJ-CQSZACIVSA-N 1 0 306.406 3.447 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1COc2ccccc2C1 ZINC001661378794 1196599160 /nfs/dbraw/zinc/59/91/60/1196599160.db2.gz KIHSNGSZBYBIIY-HNNXBMFYSA-N 1 0 312.369 3.305 20 5 DGBDRO CCc1cnc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC001661612619 1196624409 /nfs/dbraw/zinc/62/44/09/1196624409.db2.gz OQVXXMMSJHLKPC-UHFFFAOYSA-N 1 0 305.403 3.254 20 5 DGBDRO COc1ccc(C[NH2+]CC[C@@H]2CCC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001663370476 1196850636 /nfs/dbraw/zinc/85/06/36/1196850636.db2.gz IINXQTUNAZOLRH-AWEZNQCLSA-N 1 0 322.405 3.288 20 5 DGBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC001663993997 1196963526 /nfs/dbraw/zinc/96/35/26/1196963526.db2.gz GFEYUIAXUYXTNV-ZBCRRDGASA-N 1 0 318.352 3.375 20 5 DGBDRO CCc1ccccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001664483352 1197005402 /nfs/dbraw/zinc/00/54/02/1197005402.db2.gz IPWILZQMPRSKOA-UHFFFAOYSA-N 1 0 310.357 3.323 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001673757543 1197688969 /nfs/dbraw/zinc/68/89/69/1197688969.db2.gz AXMHPIYGCFSKOM-CYBMUJFWSA-N 1 0 322.409 3.145 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CCC([NH2+]CC3CC3)CC2)ccc1Cl ZINC000262358524 1204316585 /nfs/dbraw/zinc/31/65/85/1204316585.db2.gz WFHZVOYPQUPASB-UHFFFAOYSA-N 1 0 323.824 3.212 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)nc1Cl ZINC001165027895 721854768 /nfs/dbraw/zinc/85/47/68/721854768.db2.gz ASKNAXXWIDIHJY-UHFFFAOYSA-N 1 0 324.812 3.016 20 5 DGBDRO Cc1ccnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165047538 721967519 /nfs/dbraw/zinc/96/75/19/721967519.db2.gz KIQSSEXPWCFTDL-HNNXBMFYSA-N 1 0 318.421 3.143 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CCC23C[NH2+]C3)c(Cl)c1 ZINC001218241568 1094674442 /nfs/dbraw/zinc/67/44/42/1094674442.db2.gz TYJWCMLKAKZSLQ-JTQLQIEISA-N 1 0 303.145 3.032 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001169712114 1081636997 /nfs/dbraw/zinc/63/69/97/1081636997.db2.gz YQYCVUDALSAFTO-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO C[NH2+]Cc1cn(-c2ncc(C)cc2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167120744 1081719509 /nfs/dbraw/zinc/71/95/09/1081719509.db2.gz AGUBIJAQXCUNQP-UHFFFAOYSA-N 1 0 310.357 3.270 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC001170294578 1082336999 /nfs/dbraw/zinc/33/69/99/1082336999.db2.gz BFMIPCUQBZLSIF-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]CCc2cccs2)c([N+](=O)[O-])c1 ZINC001170298666 1082338486 /nfs/dbraw/zinc/33/84/86/1082338486.db2.gz NKAFYTGRSNVUQT-LBPRGKRZSA-N 1 0 320.414 3.428 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]COc2ccccc2)c([N+](=O)[O-])c1 ZINC001170312210 1082343942 /nfs/dbraw/zinc/34/39/42/1082343942.db2.gz DVELFIHBDJADPN-ZDUSSCGKSA-N 1 0 316.357 3.161 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC001170315502 1082345623 /nfs/dbraw/zinc/34/56/23/1082345623.db2.gz MSAFINIBYBADEK-HUUCEWRRSA-N 1 0 305.422 3.380 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(C)(OC)CC2)c([N+](=O)[O-])c1 ZINC001170329836 1082347875 /nfs/dbraw/zinc/34/78/75/1082347875.db2.gz VMOMQRXHDHNLRM-CYBMUJFWSA-N 1 0 322.405 3.035 20 5 DGBDRO CCOC1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170348492 1082356634 /nfs/dbraw/zinc/35/66/34/1082356634.db2.gz XTAATMNXTJZKBC-CYBMUJFWSA-N 1 0 322.405 3.035 20 5 DGBDRO COc1cnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC001170454118 1082482866 /nfs/dbraw/zinc/48/28/66/1082482866.db2.gz UHMOVOZGNQNMOF-UHFFFAOYSA-N 1 0 322.409 3.062 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001218029130 1083012814 /nfs/dbraw/zinc/01/28/14/1083012814.db2.gz YYEFYRFZILRUBW-PRHODGIISA-N 1 0 302.733 3.154 20 5 DGBDRO Cc1cc(NC(=O)C(C)(C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC001181022543 1083387095 /nfs/dbraw/zinc/38/70/95/1083387095.db2.gz XQDAYDNPXGFKDB-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO CCC[C@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CCC1 ZINC001182286753 1083673203 /nfs/dbraw/zinc/67/32/03/1083673203.db2.gz XNXMHDIRGZLQDO-ZDUSSCGKSA-N 1 0 308.378 3.367 20 5 DGBDRO Cc1ccc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001184710460 1084245022 /nfs/dbraw/zinc/24/50/22/1084245022.db2.gz HHRNYQYPDAAYIA-OKILXGFUSA-N 1 0 321.421 3.203 20 5 DGBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc2ccccc2c2ccccc21 ZINC001167902294 1084520053 /nfs/dbraw/zinc/52/00/53/1084520053.db2.gz VPCALKUZNYQBLC-QGZVFWFLSA-N 1 0 323.396 3.080 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1(C)C ZINC001186793099 1084704069 /nfs/dbraw/zinc/70/40/69/1084704069.db2.gz XQEMDZKTUOHEPV-CVEARBPZSA-N 1 0 314.389 3.284 20 5 DGBDRO COC[C@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001648955746 1085903827 /nfs/dbraw/zinc/90/38/27/1085903827.db2.gz GEQDMVYTFYCXKL-GFCCVEGCSA-N 1 0 304.346 3.227 20 5 DGBDRO Cc1nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001158268649 1087750327 /nfs/dbraw/zinc/75/03/27/1087750327.db2.gz PUZKUOWTGJIZEE-BLLLJJGKSA-N 1 0 306.410 3.254 20 5 DGBDRO Cc1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001158268651 1087753331 /nfs/dbraw/zinc/75/33/31/1087753331.db2.gz PUZKUOWTGJIZEE-MLGOLLRUSA-N 1 0 306.410 3.254 20 5 DGBDRO COc1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC001159398158 1088334213 /nfs/dbraw/zinc/33/42/13/1088334213.db2.gz VLCWYBLIBARPCH-UHFFFAOYSA-N 1 0 322.409 3.062 20 5 DGBDRO Cc1ccc(Nc2ccc(N3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC001159456361 1088355649 /nfs/dbraw/zinc/35/56/49/1088355649.db2.gz UDACTPZAQFCBLW-UHFFFAOYSA-N 1 0 312.373 3.056 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc3c(c2)CC[NH2+]CC3)c1 ZINC001159679139 1088442012 /nfs/dbraw/zinc/44/20/12/1088442012.db2.gz NDWDERKUNKYQHC-UHFFFAOYSA-N 1 0 301.321 3.166 20 5 DGBDRO COc1ncc(Nc2ccc(C3([NH3+])CCC3)cc2)cc1[N+](=O)[O-] ZINC001159730770 1088464585 /nfs/dbraw/zinc/46/45/85/1088464585.db2.gz RMCQOULALFYOFX-UHFFFAOYSA-N 1 0 314.345 3.080 20 5 DGBDRO Cc1nc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)ccc1[N+](=O)[O-] ZINC001159946952 1088563256 /nfs/dbraw/zinc/56/32/56/1088563256.db2.gz HXTNGAAKNYTQFT-LBPRGKRZSA-N 1 0 322.368 3.058 20 5 DGBDRO [NH3+][C@H]1CCCN(c2ccc(Nc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001159982035 1088585962 /nfs/dbraw/zinc/58/59/62/1088585962.db2.gz PCSSPZGLFGBZIA-ZDUSSCGKSA-N 1 0 312.373 3.266 20 5 DGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc([N+](=O)[O-])c(C)n3)c2c1 ZINC001160004415 1088597153 /nfs/dbraw/zinc/59/71/53/1088597153.db2.gz OTFLCTFZWXGHDN-GFCCVEGCSA-N 1 0 324.384 3.440 20 5 DGBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccccc2C2=CC[NH2+]CC2)c1 ZINC001160022873 1088606512 /nfs/dbraw/zinc/60/65/12/1088606512.db2.gz FFMUYLQALUPSCO-UHFFFAOYSA-N 1 0 311.341 3.421 20 5 DGBDRO Cc1cc(NC[C@H]2CCCC[NH2+]2)nc2ccc([N+](=O)[O-])cc12 ZINC001160144542 1088668731 /nfs/dbraw/zinc/66/87/31/1088668731.db2.gz GPZSGNIPRGKCSA-GFCCVEGCSA-N 1 0 300.362 3.005 20 5 DGBDRO O=[N+]([O-])c1ccccc1Nc1cccc(F)c1O[C@@H]1CC[NH2+]C1 ZINC001160181805 1088688227 /nfs/dbraw/zinc/68/82/27/1088688227.db2.gz BIPHRXDGSCOIOB-LLVKDONJSA-N 1 0 317.320 3.218 20 5 DGBDRO [NH3+]Cc1cccc2ccn(-c3ncc(Cl)cc3[N+](=O)[O-])c21 ZINC001160453416 1088809363 /nfs/dbraw/zinc/80/93/63/1088809363.db2.gz LDBCRPDYDBXJPM-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001154990965 1088879506 /nfs/dbraw/zinc/87/95/06/1088879506.db2.gz ZRRBAGSKWLTCLK-UWVGGRQHSA-N 1 0 320.780 3.478 20 5 DGBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ncc([N+](=O)[O-])cc2F)c1 ZINC001155337729 1089072501 /nfs/dbraw/zinc/07/25/01/1089072501.db2.gz DYWPCGXTLCYYER-VIFPVBQESA-N 1 0 300.293 3.093 20 5 DGBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2nc(Cl)ncc2[N+](=O)[O-])c1 ZINC001155339647 1089074895 /nfs/dbraw/zinc/07/48/95/1089074895.db2.gz IVLXPJSJIOPJGW-MRVPVSSYSA-N 1 0 317.736 3.002 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc1-c1ccccc1 ZINC001155408906 1089098632 /nfs/dbraw/zinc/09/86/32/1089098632.db2.gz GOPFIVVVGJPTJR-MAUKXSAKSA-N 1 0 324.384 3.353 20 5 DGBDRO Cc1c(C)n(-c2ncc([N+](=O)[O-])cc2C)c2ccc(C[NH3+])cc12 ZINC001155903136 1089295410 /nfs/dbraw/zinc/29/54/10/1089295410.db2.gz HMFPOLXEJQPNFG-UHFFFAOYSA-N 1 0 310.357 3.318 20 5 DGBDRO C[N@@H+]1CCC[C@@](C)(Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001162336804 1089678100 /nfs/dbraw/zinc/67/81/00/1089678100.db2.gz HCNAUMVLPHDDTB-MRXNPFEDSA-N 1 0 300.362 3.039 20 5 DGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1nccc(Cl)c1[N+](=O)[O-] ZINC001156770489 1089684992 /nfs/dbraw/zinc/68/49/92/1089684992.db2.gz FXPIKLUJKBHAPO-UHFFFAOYSA-N 1 0 312.801 3.128 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])C1 ZINC001162390914 1089708384 /nfs/dbraw/zinc/70/83/84/1089708384.db2.gz JTUTYCQAAQFRMS-UONOGXRCSA-N 1 0 312.373 3.339 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001162455501 1089740504 /nfs/dbraw/zinc/74/05/04/1089740504.db2.gz TZPNBJZCFSQRAD-QWHCGFSZSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001156927459 1089749976 /nfs/dbraw/zinc/74/99/76/1089749976.db2.gz DQOAGVYXPWPLNW-LBPRGKRZSA-N 1 0 317.393 3.148 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001156928308 1089750597 /nfs/dbraw/zinc/75/05/97/1089750597.db2.gz INZYXEDQVVQULD-NSHDSACASA-N 1 0 312.801 3.320 20 5 DGBDRO [NH3+]Cc1ccc(Nc2nccc3cc([N+](=O)[O-])ccc32)cc1F ZINC001162529971 1089775724 /nfs/dbraw/zinc/77/57/24/1089775724.db2.gz WRTQHHSFUSKFFW-UHFFFAOYSA-N 1 0 312.304 3.484 20 5 DGBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001157011358 1089785626 /nfs/dbraw/zinc/78/56/26/1089785626.db2.gz ZNNXMUYWFDDHRV-CYBMUJFWSA-N 1 0 314.389 3.062 20 5 DGBDRO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000057801039 1089802092 /nfs/dbraw/zinc/80/20/92/1089802092.db2.gz UMVNJKQAQPFGEW-LLVKDONJSA-N 1 0 324.764 3.369 20 5 DGBDRO CC(C)(C)c1cnc(NC[C@]2(F)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001162579997 1089804985 /nfs/dbraw/zinc/80/49/85/1089804985.db2.gz QDNZEOBPHHKPGW-INIZCTEOSA-N 1 0 324.400 3.181 20 5 DGBDRO Cn1cc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c2ccccc21 ZINC001162832039 1089982768 /nfs/dbraw/zinc/98/27/68/1089982768.db2.gz WOSMJQPUBGYFCB-UHFFFAOYSA-N 1 0 322.368 3.302 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC001162849692 1089992653 /nfs/dbraw/zinc/99/26/53/1089992653.db2.gz PFGCWWZKWVFHGI-CYBMUJFWSA-N 1 0 320.352 3.165 20 5 DGBDRO C[C@H]1[C@H]([NH3+])CCCN1c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001157743110 1090095052 /nfs/dbraw/zinc/09/50/52/1090095052.db2.gz HIFVQMNRZHWFAH-JOYOIKCWSA-N 1 0 320.780 3.112 20 5 DGBDRO Cc1c(C)c(N2C[C@@H](CC[NH3+])c3ccccc32)ncc1[N+](=O)[O-] ZINC001157745334 1090095355 /nfs/dbraw/zinc/09/53/55/1090095355.db2.gz MFCGTFPHUIXNPG-CYBMUJFWSA-N 1 0 312.373 3.191 20 5 DGBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163235156 1090129238 /nfs/dbraw/zinc/12/92/38/1090129238.db2.gz BGLJAAKQJIUSAE-ZDUSSCGKSA-N 1 0 307.350 3.360 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163261113 1090133480 /nfs/dbraw/zinc/13/34/80/1090133480.db2.gz FZEQVEDLRDAJPE-YCPHGPKFSA-N 1 0 324.384 3.067 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c(C(F)(F)F)c1 ZINC001163262718 1090133570 /nfs/dbraw/zinc/13/35/70/1090133570.db2.gz JLNQNHARGDXEFR-QRTLGDNMSA-N 1 0 315.295 3.024 20 5 DGBDRO [NH3+]C1(CNc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CCC1 ZINC001163328366 1090152812 /nfs/dbraw/zinc/15/28/12/1090152812.db2.gz PILCMRSGHCSGSU-UHFFFAOYSA-N 1 0 306.753 3.090 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H](C)C1 ZINC001163365447 1090165146 /nfs/dbraw/zinc/16/51/46/1090165146.db2.gz JBWDQPAOBAXTHG-NWDGAFQWSA-N 1 0 317.393 3.002 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163394303 1090175022 /nfs/dbraw/zinc/17/50/22/1090175022.db2.gz FFYIJMISDBSYSL-HNNXBMFYSA-N 1 0 319.405 3.197 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001163712402 1090240161 /nfs/dbraw/zinc/24/01/61/1090240161.db2.gz XXSJSNHNPVHVRO-LBPRGKRZSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@]1(C[NH3+])CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001164250488 1090387117 /nfs/dbraw/zinc/38/71/17/1090387117.db2.gz PADAJLAEUPJRNN-KRWDZBQOSA-N 1 0 314.389 3.098 20 5 DGBDRO CC(C)(C)[NH+]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001165091470 1090463878 /nfs/dbraw/zinc/46/38/78/1090463878.db2.gz QSFFDANWCVCBDJ-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2cc3cccnc3c([N+](=O)[O-])c2)C1 ZINC001165290181 1090497601 /nfs/dbraw/zinc/49/76/01/1090497601.db2.gz PUJAOZVWDSVTLE-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001165321148 1090503160 /nfs/dbraw/zinc/50/31/60/1090503160.db2.gz WYEUEBBMHFLEMN-GFCCVEGCSA-N 1 0 324.812 3.002 20 5 DGBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168601012 1090599269 /nfs/dbraw/zinc/59/92/69/1090599269.db2.gz GNMAUSWPSAGLCI-JSGCOSHPSA-N 1 0 307.394 3.197 20 5 DGBDRO CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001128450170 1090965493 /nfs/dbraw/zinc/96/54/93/1090965493.db2.gz GGCYVBQDOBPCBI-INIZCTEOSA-N 1 0 319.405 3.211 20 5 DGBDRO CC[C@H]([NH3+])Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001205837135 1091374186 /nfs/dbraw/zinc/37/41/86/1091374186.db2.gz LQQYMKMXWLBBLS-ZDUSSCGKSA-N 1 0 319.368 3.113 20 5 DGBDRO CN(CCCNc1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC001307193320 1091564957 /nfs/dbraw/zinc/56/49/57/1091564957.db2.gz ALYSEAMXHIDKFW-UHFFFAOYSA-N 1 0 304.325 3.067 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CC(Nc3ccccc3)C2)cc1 ZINC001207459290 1091974750 /nfs/dbraw/zinc/97/47/50/1091974750.db2.gz HKFXAIXFWGFDCR-UHFFFAOYSA-N 1 0 311.385 3.370 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001207862351 1092123635 /nfs/dbraw/zinc/12/36/35/1092123635.db2.gz WIDUYNMHEGTJNX-KISBBLTOSA-N 1 0 316.401 3.216 20 5 DGBDRO C[C@H]1C(=O)NCC[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141728602 1092323730 /nfs/dbraw/zinc/32/37/30/1092323730.db2.gz ZFBZOCRTXPIZEM-AWEZNQCLSA-N 1 0 304.393 3.313 20 5 DGBDRO C[NH+](C)CCOc1cc(NCCC2CCC2)ccc1[N+](=O)[O-] ZINC001168889755 1092412549 /nfs/dbraw/zinc/41/25/49/1092412549.db2.gz UHWUUCVODSTJRM-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)C1 ZINC001168978267 1092458526 /nfs/dbraw/zinc/45/85/26/1092458526.db2.gz QNWCDZFEMCQOEI-VHSXEESVSA-N 1 0 320.286 3.380 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)C1 ZINC001168978265 1092458849 /nfs/dbraw/zinc/45/88/49/1092458849.db2.gz QNWCDZFEMCQOEI-NXEZZACHSA-N 1 0 320.286 3.380 20 5 DGBDRO CC(C)Oc1ccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168978365 1092458947 /nfs/dbraw/zinc/45/89/47/1092458947.db2.gz RJJRGXKNGNBXIR-CVEARBPZSA-N 1 0 306.406 3.051 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC001168983736 1092460575 /nfs/dbraw/zinc/46/05/75/1092460575.db2.gz LBXLXGLTCLLKBJ-OCCSQVGLSA-N 1 0 316.323 3.283 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC001168956890 1092463001 /nfs/dbraw/zinc/46/30/01/1092463001.db2.gz GGFSXGOUAOZEGD-YPMHNXCESA-N 1 0 302.296 3.240 20 5 DGBDRO [NH3+]CCCc1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168966365 1092468810 /nfs/dbraw/zinc/46/88/10/1092468810.db2.gz IISJXQBSFDHASY-HIFRSBDPSA-N 1 0 301.390 3.151 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001168970445 1092470117 /nfs/dbraw/zinc/47/01/17/1092470117.db2.gz HPMHIUVZYGADKL-JOYOIKCWSA-N 1 0 320.286 3.380 20 5 DGBDRO CCCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168968912 1092470435 /nfs/dbraw/zinc/47/04/35/1092470435.db2.gz BEYAAWUOGMBCJP-JKSUJKDBSA-N 1 0 306.406 3.401 20 5 DGBDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1cccc(F)c1 ZINC001168997888 1092478960 /nfs/dbraw/zinc/47/89/60/1092478960.db2.gz GEVSRIJYYZOGET-GOEBONIOSA-N 1 0 308.397 3.429 20 5 DGBDRO COc1ccccc1CC(C)(C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998633 1092479030 /nfs/dbraw/zinc/47/90/30/1092479030.db2.gz PCTSJPPSAWMKPC-UKRRQHHQSA-N 1 0 306.406 3.051 20 5 DGBDRO COc1cccc(CC2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168998017 1092479544 /nfs/dbraw/zinc/47/95/44/1092479544.db2.gz HGAMBFHENQQRTD-HZPDHXFCSA-N 1 0 318.417 3.053 20 5 DGBDRO [NH3+]CCc1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2cccc(Cl)c12 ZINC001169002682 1092480737 /nfs/dbraw/zinc/48/07/37/1092480737.db2.gz LVEBKOWAELBBOD-YPMHNXCESA-N 1 0 321.808 3.414 20 5 DGBDRO COc1cccc(CC2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001168999893 1092481601 /nfs/dbraw/zinc/48/16/01/1092481601.db2.gz WBLPOTGUSCDWNX-HZPDHXFCSA-N 1 0 318.417 3.195 20 5 DGBDRO CC(C)(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ccccc1F ZINC001168999096 1092481640 /nfs/dbraw/zinc/48/16/40/1092481640.db2.gz RXINPKXKPIUEDB-ZFWWWQNUSA-N 1 0 308.397 3.429 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3F)no2)C1 ZINC001169004917 1092482837 /nfs/dbraw/zinc/48/28/37/1092482837.db2.gz SANKVHNDAZPJOY-NEPJUHHUSA-N 1 0 319.336 3.016 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)C1 ZINC001169006160 1092486267 /nfs/dbraw/zinc/48/62/67/1092486267.db2.gz FNPLZQBTRBWJGL-HTQZYQBOSA-N 1 0 322.249 3.152 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccnc2Cl)C2CC2)C1 ZINC001169006923 1092486400 /nfs/dbraw/zinc/48/64/00/1092486400.db2.gz ZSVDKYAJNXLVMS-QKCSRTOESA-N 1 0 309.797 3.221 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC001168986570 1092489982 /nfs/dbraw/zinc/48/99/82/1092489982.db2.gz XKHNTTQPSGLWOE-PYNQCMFNSA-N 1 0 308.344 3.390 20 5 DGBDRO [NH3+]Cc1ccc(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(C(F)(F)F)c1 ZINC001168988126 1092491643 /nfs/dbraw/zinc/49/16/43/1092491643.db2.gz OBQOKGNTZCNKNB-GHMZBOCLSA-N 1 0 317.311 3.021 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168988197 1092491836 /nfs/dbraw/zinc/49/18/36/1092491836.db2.gz OWIRZPSYGDRKHU-ZFWWWQNUSA-N 1 0 314.385 3.383 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc3C2)C1 ZINC001168989866 1092492263 /nfs/dbraw/zinc/49/22/63/1092492263.db2.gz XGRFYBGNNCHCLL-LYRGGWFBSA-N 1 0 308.809 3.232 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccccc2C(F)(F)F)C1 ZINC001168989904 1092492555 /nfs/dbraw/zinc/49/25/55/1092492555.db2.gz XQYHSMTYVXBYQM-WCQYABFASA-N 1 0 316.323 3.283 20 5 DGBDRO Cc1ccc2c(c1)c1c(n2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[NH2+]C1 ZINC001169027824 1092492665 /nfs/dbraw/zinc/49/26/65/1092492665.db2.gz QVHTTWGWKGTMNB-KGLIPLIRSA-N 1 0 313.401 3.213 20 5 DGBDRO [NH3+][C@@H]1CCc2c3ccccc3n([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)c2C1 ZINC001168988214 1092492741 /nfs/dbraw/zinc/49/27/41/1092492741.db2.gz PBTTXKFUOQPVDS-MGPQQGTHSA-N 1 0 313.401 3.075 20 5 DGBDRO C[NH2+]Cc1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccc(C)cc12 ZINC001169039995 1092501543 /nfs/dbraw/zinc/50/15/43/1092501543.db2.gz WQOLLOKFQOJDHB-HIFRSBDPSA-N 1 0 301.390 3.287 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC001169025504 1092505506 /nfs/dbraw/zinc/50/55/06/1092505506.db2.gz JSAWOWQTBOOQMR-HIFRSBDPSA-N 1 0 322.380 3.114 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001169141188 1092555130 /nfs/dbraw/zinc/55/51/30/1092555130.db2.gz AWIIOMUDGNCRDO-WBMJQRKESA-N 1 0 306.410 3.254 20 5 DGBDRO Cc1cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001169147588 1092563491 /nfs/dbraw/zinc/56/34/91/1092563491.db2.gz UCMHETOWPLBPDX-BLLLJJGKSA-N 1 0 306.410 3.254 20 5 DGBDRO O=[N+]([O-])c1cc(F)cc(Nc2c[nH+]ccc2N2CCCC2)c1 ZINC001216482067 1094206269 /nfs/dbraw/zinc/20/62/69/1094206269.db2.gz SMTKHQLYKNAPAN-UHFFFAOYSA-N 1 0 302.309 3.473 20 5 DGBDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001120024918 1094351869 /nfs/dbraw/zinc/35/18/69/1094351869.db2.gz PACKIJNJLXUGRU-INIZCTEOSA-N 1 0 320.776 3.380 20 5 DGBDRO Cc1cccc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1[N+](=O)[O-] ZINC001120071714 1094370684 /nfs/dbraw/zinc/37/06/84/1094370684.db2.gz AXMSIHZFTVISOV-SOUVJXGZSA-N 1 0 303.406 3.070 20 5 DGBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001120558282 1094455214 /nfs/dbraw/zinc/45/52/14/1094455214.db2.gz DHGDIUWOCBWSTD-IAGOWNOFSA-N 1 0 315.373 3.010 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2C[NH2+]CCC[C@@H]2F)c2ccccc21 ZINC001217773721 1094494176 /nfs/dbraw/zinc/49/41/76/1094494176.db2.gz KQSHNCOXDUBXJW-DOTOQJQBSA-N 1 0 318.348 3.355 20 5 DGBDRO F[C@@H]1C[NH2+]CCC[C@H]1Oc1cccc2nc3ccccc3nc21 ZINC001217949230 1094527030 /nfs/dbraw/zinc/52/70/30/1094527030.db2.gz NBOWJIDYWCJMOS-MLGOLLRUSA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3C[NH2+]CC[C@@H]3F)cc2)c1 ZINC001217960078 1094530655 /nfs/dbraw/zinc/53/06/55/1094530655.db2.gz TVIARRBXCKBRCI-IRXDYDNUSA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC001217969837 1094535387 /nfs/dbraw/zinc/53/53/87/1094535387.db2.gz DFTKIHMZZJIPGK-SECBINFHSA-N 1 0 305.161 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217978921 1094539037 /nfs/dbraw/zinc/53/90/37/1094539037.db2.gz FNKDYPNKKBJBEY-MWLCHTKSSA-N 1 0 323.151 3.371 20 5 DGBDRO F[C@@H]1CCC[NH2+]C[C@@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001217979619 1094539336 /nfs/dbraw/zinc/53/93/36/1094539336.db2.gz HGWUENULOUTTPT-ACJLOTCBSA-N 1 0 311.360 3.252 20 5 DGBDRO F[C@H]1CCC[NH2+]C[C@H]1Oc1cccc2nc3ccccc3nc21 ZINC001217982927 1094541297 /nfs/dbraw/zinc/54/12/97/1094541297.db2.gz XPRCOOIFDMIUOO-YVEFUNNKSA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]CC[C@H]2F)c(C(F)(F)F)c1 ZINC001218012370 1094558329 /nfs/dbraw/zinc/55/83/29/1094558329.db2.gz IZQKHXRQAKULIU-ZYHUDNBSSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[NH2+]CC[C@@H]2F)c(Cl)cc1Cl ZINC001218012979 1094558717 /nfs/dbraw/zinc/55/87/17/1094558717.db2.gz NOTRGDHCFZBTSF-GXSJLCMTSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[NH2+]CC[C@@H]2F)ccc1C(F)(F)F ZINC001218013580 1094559767 /nfs/dbraw/zinc/55/97/67/1094559767.db2.gz BYMRJZBORYGTNM-CMPLNLGQSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1CC[NH2+]CC[C@@H]1F ZINC001218018149 1094563251 /nfs/dbraw/zinc/56/32/51/1094563251.db2.gz YROUTBUJAQTTSB-ZFWWWQNUSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CC[NH2+]CC[C@@H]1F ZINC001218021410 1094563816 /nfs/dbraw/zinc/56/38/16/1094563816.db2.gz WNVPZBHQZHTCSM-GXSJLCMTSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001218028646 1094568333 /nfs/dbraw/zinc/56/83/33/1094568333.db2.gz WBPHKICWEMYANV-RNCFNFMXSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001218030962 1094570458 /nfs/dbraw/zinc/57/04/58/1094570458.db2.gz WMAMJVNPYCKJGK-ZANVPECISA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1C[C@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[NH2+]1 ZINC001218049025 1094577069 /nfs/dbraw/zinc/57/70/69/1094577069.db2.gz IRRHYCCDTKLGDF-JGVFFNPUSA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@H]1C[C@@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC001218052839 1094577982 /nfs/dbraw/zinc/57/79/82/1094577982.db2.gz DWXRPRSUKLGZCM-CBAPKCEASA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@@H]1C[C@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218060445 1094580676 /nfs/dbraw/zinc/58/06/76/1094580676.db2.gz MMVDNDICLRHUQZ-VXNVDRBHSA-N 1 0 305.161 3.421 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218078590 1094589365 /nfs/dbraw/zinc/58/93/65/1094589365.db2.gz CVVDQKPADCRDJZ-ZDUSSCGKSA-N 1 0 314.744 3.298 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218087877 1094593113 /nfs/dbraw/zinc/59/31/13/1094593113.db2.gz BMZKWRIQNTZFNQ-IUODEOHRSA-N 1 0 310.781 3.468 20 5 DGBDRO Cc1cc(O[C@H]2CCC23CC[NH2+]CC3)c([N+](=O)[O-])cc1Cl ZINC001218084914 1094593855 /nfs/dbraw/zinc/59/38/55/1094593855.db2.gz KZXCTRLJYMLKHS-AWEZNQCLSA-N 1 0 310.781 3.468 20 5 DGBDRO O=[N+]([O-])c1cccc2cc(O[C@H]3CCC[C@@]34CC[NH2+]C4)cnc21 ZINC001218090065 1094594591 /nfs/dbraw/zinc/59/45/91/1094594591.db2.gz AOUOJVDTVYVJBG-RDJZCZTQSA-N 1 0 313.357 3.054 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218088800 1094594687 /nfs/dbraw/zinc/59/46/87/1094594687.db2.gz CISNBBFRPNCJQX-DLBZAZTESA-N 1 0 318.373 3.099 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCOC2CCSCC2)cc1[N+](=O)[O-] ZINC001336245847 1094601374 /nfs/dbraw/zinc/60/13/74/1094601374.db2.gz PLHPIAHGXILHJS-CYBMUJFWSA-N 1 0 324.446 3.466 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3C[C@H]4C[C@@H]3C[NH2+]4)c2)c1 ZINC001218112537 1094610839 /nfs/dbraw/zinc/61/08/39/1094610839.db2.gz SYMUNMUWDJEAPG-IIDMSEBBSA-N 1 0 310.353 3.391 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC001218133659 1094624666 /nfs/dbraw/zinc/62/46/66/1094624666.db2.gz BXTJLLZAXCNBLM-AYMMMOKOSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)cc1Cl ZINC001218137392 1094627521 /nfs/dbraw/zinc/62/75/21/1094627521.db2.gz OECFUFVHGHHHSQ-AYMMMOKOSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3CCC34C[NH2+]C4)c2)c1 ZINC001218240536 1094674612 /nfs/dbraw/zinc/67/46/12/1094674612.db2.gz DZQFNVUCEWYNGF-QGZVFWFLSA-N 1 0 310.353 3.393 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218399389 1094750467 /nfs/dbraw/zinc/75/04/67/1094750467.db2.gz NTCOAQMDTQGZDT-GFCCVEGCSA-N 1 0 316.279 3.135 20 5 DGBDRO O=c1oc2cc(O[C@@H]3C[NH2+]CCC34CC4)ccc2c2ccccc21 ZINC001218398199 1094750707 /nfs/dbraw/zinc/75/07/07/1094750707.db2.gz CFTLZAYSNZHCEH-GOSISDBHSA-N 1 0 321.376 3.467 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218399891 1094752075 /nfs/dbraw/zinc/75/20/75/1094752075.db2.gz QKJJOXRXYYYAJK-LBPRGKRZSA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@H]1C[NH2+]CCC12CC2 ZINC001218404049 1094754467 /nfs/dbraw/zinc/75/44/67/1094754467.db2.gz INRHWZCTWIYWQD-NSHDSACASA-N 1 0 316.279 3.135 20 5 DGBDRO CC(C)(C)c1ccc(O[C@@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])c1 ZINC001218447632 1094779979 /nfs/dbraw/zinc/77/99/79/1094779979.db2.gz IIDGZYQGVAQNNG-CYBMUJFWSA-N 1 0 314.332 3.268 20 5 DGBDRO O=c1oc2cc(O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)ccc2c2ccccc21 ZINC001218459011 1094789063 /nfs/dbraw/zinc/78/90/63/1094789063.db2.gz AZOGVJYTROVLLR-UYHISHBKSA-N 1 0 321.376 3.323 20 5 DGBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218487027 1094811763 /nfs/dbraw/zinc/81/17/63/1094811763.db2.gz HBPYHQZMDDSKIB-HNNXBMFYSA-N 1 0 302.305 3.266 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218492768 1094819622 /nfs/dbraw/zinc/81/96/22/1094819622.db2.gz CYFRUWQNJFIEND-QGZVFWFLSA-N 1 0 321.336 3.366 20 5 DGBDRO C[C@@H]1CCC[NH2+][C@@H]1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979375 1094918042 /nfs/dbraw/zinc/91/80/42/1094918042.db2.gz FTSOJBNEJRCODD-WBMJQRKESA-N 1 0 320.396 3.110 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC001337396607 1094960755 /nfs/dbraw/zinc/96/07/55/1094960755.db2.gz RPDZLSBFRPXBNU-AWEZNQCLSA-N 1 0 305.422 3.380 20 5 DGBDRO C[NH2+]CCNC(=O)CCc1c2ccccc2cc2ccccc21 ZINC001220054653 1095052320 /nfs/dbraw/zinc/05/23/20/1095052320.db2.gz LZLMFYOTHDNMHK-UHFFFAOYSA-N 1 0 306.409 3.261 20 5 DGBDRO C[C@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001337914514 1095138149 /nfs/dbraw/zinc/13/81/49/1095138149.db2.gz MWVSSVSIAFFFTD-STQMWFEESA-N 1 0 318.421 3.242 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001124128830 1095549822 /nfs/dbraw/zinc/54/98/22/1095549822.db2.gz SZNOFFPTUQSDRN-AWEZNQCLSA-N 1 0 321.421 3.062 20 5 DGBDRO CC(C)(C)CCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124778120 1095629746 /nfs/dbraw/zinc/62/97/46/1095629746.db2.gz MGYMKUUNRIHXQD-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001116743381 1095646930 /nfs/dbraw/zinc/64/69/30/1095646930.db2.gz KCEJRYKDLCAHQW-WJANQJKRSA-N 1 0 316.401 3.499 20 5 DGBDRO O=[N+]([O-])c1cccc(CO[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001222769497 1095748110 /nfs/dbraw/zinc/74/81/10/1095748110.db2.gz UUEKBYPCSGTQOO-GOSISDBHSA-N 1 0 312.369 3.386 20 5 DGBDRO O=[N+]([O-])c1cccc(CO[C@H]2CCN3Cc4ccccc4[NH+]=C23)c1 ZINC001222770022 1095748559 /nfs/dbraw/zinc/74/85/59/1095748559.db2.gz BMWBMNNAXGVSIX-KRWDZBQOSA-N 1 0 323.352 3.430 20 5 DGBDRO CCOC(=O)[C@@H](O[C@H](C)C[N+](C)(C)C)c1cccc(Cl)c1 ZINC001222883534 1095779228 /nfs/dbraw/zinc/77/92/28/1095779228.db2.gz KNCWPWTZNAQQLH-DOMZBBRYSA-N 1 0 314.833 3.056 20 5 DGBDRO CCOC(=O)[C@H](O[C@@H](C)C[N+](C)(C)C)c1cccc(Cl)c1 ZINC001222883538 1095779962 /nfs/dbraw/zinc/77/99/62/1095779962.db2.gz KNCWPWTZNAQQLH-SWLSCSKDSA-N 1 0 314.833 3.056 20 5 DGBDRO C[NH2+][C@@H](C)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001118122366 1095938157 /nfs/dbraw/zinc/93/81/57/1095938157.db2.gz VCBCZOPBEQGEHT-KSSFIOAISA-N 1 0 313.401 3.272 20 5 DGBDRO CCOC(=O)[C@@H](O[C@@H](C)C[N+](C)(C)C)c1ccccc1Cl ZINC001223771061 1096059466 /nfs/dbraw/zinc/05/94/66/1096059466.db2.gz GVLQMXSCJOHNDT-WFASDCNBSA-N 1 0 314.833 3.056 20 5 DGBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC001340889847 1096060510 /nfs/dbraw/zinc/06/05/10/1096060510.db2.gz FGFSVTGKFCBQAT-UHFFFAOYSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@H](O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC001224023815 1096118069 /nfs/dbraw/zinc/11/80/69/1096118069.db2.gz ZXRQRZHZKWCONP-JJAZEVLHSA-N 1 0 304.390 3.403 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2C[NH+]3CCC2CC3)c2ccccc21 ZINC001224205043 1096162499 /nfs/dbraw/zinc/16/24/99/1096162499.db2.gz XSNZTSVLOKOWNK-GOSISDBHSA-N 1 0 312.369 3.359 20 5 DGBDRO CN(C)c1ccc(-n2c(CC[NH3+])cc3ccccc32)c([N+](=O)[O-])c1 ZINC001171305087 1096225388 /nfs/dbraw/zinc/22/53/88/1096225388.db2.gz PQHMCENFBYCLAA-UHFFFAOYSA-N 1 0 324.384 3.106 20 5 DGBDRO Cc1ccc2c(ccnc2NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001171327604 1096338483 /nfs/dbraw/zinc/33/84/83/1096338483.db2.gz HIBJUTYUYTTWTC-LBPRGKRZSA-N 1 0 300.362 3.005 20 5 DGBDRO CCc1ccc(O[C@@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001226050750 1096599272 /nfs/dbraw/zinc/59/92/72/1096599272.db2.gz NYAZHIBLLORSPR-NSHDSACASA-N 1 0 301.248 3.485 20 5 DGBDRO Nc1cc(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc2[nH+]1 ZINC001226418061 1096684964 /nfs/dbraw/zinc/68/49/64/1096684964.db2.gz HWDMBMYMPUYAMS-AWEZNQCLSA-N 1 0 321.336 3.271 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC001226513574 1096710445 /nfs/dbraw/zinc/71/04/45/1096710445.db2.gz BVTMPMBOUWYJMZ-CYBMUJFWSA-N 1 0 312.389 3.420 20 5 DGBDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763368 1096771106 /nfs/dbraw/zinc/77/11/06/1096771106.db2.gz QWEYIWXOQGEKOH-XJKSGUPXSA-N 1 0 313.357 3.204 20 5 DGBDRO COc1cc2c(Cl)ccnc2cc1O[C@@H](C)C[N+](C)(C)C ZINC001226783361 1096776366 /nfs/dbraw/zinc/77/63/66/1096776366.db2.gz IQMIGHNGBZPTMK-NSHDSACASA-N 1 0 309.817 3.370 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(OC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001227062562 1096857143 /nfs/dbraw/zinc/85/71/43/1096857143.db2.gz QEUJZLIBLWMIGP-UHFFFAOYSA-N 1 0 307.394 3.328 20 5 DGBDRO CC[N@@H+]1CC[C@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227131118 1096875611 /nfs/dbraw/zinc/87/56/11/1096875611.db2.gz XVOKSZYUEQHLJY-QMMMGPOBSA-N 1 0 305.161 3.375 20 5 DGBDRO COc1cccc([N+](=O)[O-])c1OC1CC[NH+](C(C)(C)C)CC1 ZINC001227700697 1096971795 /nfs/dbraw/zinc/97/17/95/1096971795.db2.gz FZYMQMNPEASEQB-UHFFFAOYSA-N 1 0 308.378 3.245 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001228018124 1097033435 /nfs/dbraw/zinc/03/34/35/1097033435.db2.gz VLKZOWKSUYNUAO-UHFFFAOYSA-N 1 0 313.785 3.285 20 5 DGBDRO C[NH+](C)Cc1c(O[C@H](C[N+](=O)[O-])C2CC2)ccc2ccccc21 ZINC001228440314 1097121991 /nfs/dbraw/zinc/12/19/91/1097121991.db2.gz BZVVUNLDLNZWCU-GOSISDBHSA-N 1 0 314.385 3.336 20 5 DGBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001228451703 1097123647 /nfs/dbraw/zinc/12/36/47/1097123647.db2.gz BVRKRHSUDNLFDJ-WDNDVIMCSA-N 1 0 318.373 3.110 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@H]3C[NH+]4CCC3CC4)nc2c1 ZINC001228517902 1097134658 /nfs/dbraw/zinc/13/46/58/1097134658.db2.gz ARDNOPULPKZDLW-SFHVURJKSA-N 1 0 305.381 3.256 20 5 DGBDRO Cc1cc2[nH]c(OC3CC[NH+](C(C)C)CC3)nc2cc1[N+](=O)[O-] ZINC001228675071 1097164067 /nfs/dbraw/zinc/16/40/67/1097164067.db2.gz NMJXDBZPQFOXAF-UHFFFAOYSA-N 1 0 318.377 3.031 20 5 DGBDRO C[N@@H+]1CCc2cc(O[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)ccc2C1 ZINC001228937169 1097221575 /nfs/dbraw/zinc/22/15/75/1097221575.db2.gz XIFBJRKWUMKHJM-LJQANCHMSA-N 1 0 324.380 3.129 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2ncc(Br)cc21 ZINC001229022059 1097239623 /nfs/dbraw/zinc/23/96/23/1097239623.db2.gz NUDGXIIIWQTTFD-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO CC(=O)c1cccc(O[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001229139360 1097262593 /nfs/dbraw/zinc/26/25/93/1097262593.db2.gz XVVPOHWNKWIORH-ZDUSSCGKSA-N 1 0 306.362 3.049 20 5 DGBDRO C[C@@]1(O)CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172896991 1097266190 /nfs/dbraw/zinc/26/61/90/1097266190.db2.gz VRWBNQXFGZZYLS-NUJGCVRESA-N 1 0 318.417 3.125 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172897113 1097267161 /nfs/dbraw/zinc/26/71/61/1097267161.db2.gz XKCHBLSYBXBLKF-KRWDZBQOSA-N 1 0 311.385 3.335 20 5 DGBDRO Cc1cnc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)s1 ZINC001172900793 1097268547 /nfs/dbraw/zinc/26/85/47/1097268547.db2.gz FJGQNJOIGRKBMA-AWEZNQCLSA-N 1 0 317.414 3.397 20 5 DGBDRO COC[C@@H]1CCCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906263 1097269119 /nfs/dbraw/zinc/26/91/19/1097269119.db2.gz WRXQHCUKNNJCLY-WMZOPIPTSA-N 1 0 318.417 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H]3[C@H](CC3(F)F)C1)CC2 ZINC001172903984 1097269123 /nfs/dbraw/zinc/26/91/23/1097269123.db2.gz KSDSWPACPAQGRO-FMKPAKJESA-N 1 0 322.355 3.429 20 5 DGBDRO C[N@H+]([C@H]1CC[C@H](O)CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906127 1097269397 /nfs/dbraw/zinc/26/93/97/1097269397.db2.gz WKUSTNQMXXUYJR-JFIYKMOQSA-N 1 0 318.417 3.078 20 5 DGBDRO C[N@H+]([C@H]1CC[C@H](O)CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906124 1097269424 /nfs/dbraw/zinc/26/94/24/1097269424.db2.gz WKUSTNQMXXUYJR-BQFCYCMXSA-N 1 0 318.417 3.078 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1OC1CCC([NH+](C)C)CC1 ZINC001229179401 1097272040 /nfs/dbraw/zinc/27/20/40/1097272040.db2.gz KBWDIBVXAGBMAL-UHFFFAOYSA-N 1 0 320.389 3.439 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1OC1CC[NH+](C(C)C)CC1 ZINC001229179951 1097272257 /nfs/dbraw/zinc/27/22/57/1097272257.db2.gz SFECKTSRTDGSTN-UHFFFAOYSA-N 1 0 320.389 3.439 20 5 DGBDRO CCCO[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914016 1097278439 /nfs/dbraw/zinc/27/84/39/1097278439.db2.gz XLPIKBQGTPGQJC-FUHWJXTLSA-N 1 0 318.417 3.343 20 5 DGBDRO Cc1cnccc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896631 1097278609 /nfs/dbraw/zinc/27/86/09/1097278609.db2.gz PVBPXSWDXUBRMO-QGZVFWFLSA-N 1 0 311.385 3.335 20 5 DGBDRO C[C@@]1(O)CCCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172910440 1097292375 /nfs/dbraw/zinc/29/23/75/1097292375.db2.gz ZYQWGDSSSYNTMF-SJLPKXTDSA-N 1 0 318.417 3.079 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2CCCC2)c1F ZINC001173174681 1097356116 /nfs/dbraw/zinc/35/61/16/1097356116.db2.gz ARUGDYGEVCHYBV-LLVKDONJSA-N 1 0 310.369 3.453 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H](F)C[C@H]2C)c1F ZINC001173178296 1097356158 /nfs/dbraw/zinc/35/61/58/1097356158.db2.gz AERZWZUFQUJCHI-MXWKQRLJSA-N 1 0 314.332 3.106 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC2CCC2)c1F ZINC001173183643 1097356990 /nfs/dbraw/zinc/35/69/90/1097356990.db2.gz CPGRMRJZXICAIX-NSHDSACASA-N 1 0 310.369 3.453 20 5 DGBDRO CC(C)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C(C)C)c1 ZINC001229680698 1097364094 /nfs/dbraw/zinc/36/40/94/1097364094.db2.gz QQJCMUJUJUOUFQ-MRXNPFEDSA-N 1 0 322.469 3.296 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC001173215181 1097366707 /nfs/dbraw/zinc/36/67/07/1097366707.db2.gz UEZIBHNKLFXMRL-NEPJUHHUSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COCc2ccccc21 ZINC001173215892 1097367467 /nfs/dbraw/zinc/36/74/67/1097367467.db2.gz AWFJTXMSGWEEIG-ACJLOTCBSA-N 1 0 312.369 3.387 20 5 DGBDRO COc1cccc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173217717 1097368517 /nfs/dbraw/zinc/36/85/17/1097368517.db2.gz ZNFFJUXEHQUWFS-AWEZNQCLSA-N 1 0 314.385 3.367 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1nc(C[NH3+])c2ccccc21 ZINC001173217075 1097368662 /nfs/dbraw/zinc/36/86/62/1097368662.db2.gz KZHVPGLRAQSZJN-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccnc1Cl ZINC001173218907 1097370289 /nfs/dbraw/zinc/37/02/89/1097370289.db2.gz STNJLXUYDBFLOO-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001173221680 1097372035 /nfs/dbraw/zinc/37/20/35/1097372035.db2.gz LGYRWFYXXRPWFI-PBHICJAKSA-N 1 0 304.390 3.171 20 5 DGBDRO COc1ccc(F)c(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173222667 1097373107 /nfs/dbraw/zinc/37/31/07/1097373107.db2.gz YMMAGIOATSPRGA-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001173222846 1097373281 /nfs/dbraw/zinc/37/32/81/1097373281.db2.gz ZMVGYFUZGBTWEF-UWIFEVILSA-N 1 0 317.433 3.131 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001173225744 1097375277 /nfs/dbraw/zinc/37/52/77/1097375277.db2.gz FSLGCJYKQWPJMC-YOEHRIQHSA-N 1 0 311.385 3.410 20 5 DGBDRO COCC[C@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225713 1097375433 /nfs/dbraw/zinc/37/54/33/1097375433.db2.gz FNZXMTHCGGVIBN-GOEBONIOSA-N 1 0 306.406 3.417 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001173228920 1097376102 /nfs/dbraw/zinc/37/61/02/1097376102.db2.gz LHHPEWQGISSPBN-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2c1cnn2C ZINC001173231362 1097376919 /nfs/dbraw/zinc/37/69/19/1097376919.db2.gz YPDWDGXZGZPAEZ-CYBMUJFWSA-N 1 0 324.384 3.202 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCO)c1ccccc1 ZINC001173209271 1097380389 /nfs/dbraw/zinc/38/03/89/1097380389.db2.gz AYBACQCGQALTSW-KDOFPFPSSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nc2ccccc2n1C ZINC001173209767 1097380416 /nfs/dbraw/zinc/38/04/16/1097380416.db2.gz FSEORSJJZUITED-CYBMUJFWSA-N 1 0 324.384 3.202 20 5 DGBDRO COc1ccc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173220428 1097382412 /nfs/dbraw/zinc/38/24/12/1097382412.db2.gz AELVNLXWHSNAPY-CQSZACIVSA-N 1 0 314.385 3.367 20 5 DGBDRO CO[C@@H]1CC[N@H+](CCOc2nccc3c4ccccc4ccc32)C1 ZINC001230202598 1097457487 /nfs/dbraw/zinc/45/74/87/1097457487.db2.gz AFLWZTIYTPIQNF-MRXNPFEDSA-N 1 0 322.408 3.488 20 5 DGBDRO Cc1cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc([N+](=O)[O-])c1C ZINC001230478103 1097495201 /nfs/dbraw/zinc/49/52/01/1097495201.db2.gz SSLBUYKNIGZLCI-XOIINTDNSA-N 1 0 304.390 3.321 20 5 DGBDRO Cc1ccc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230492493 1097498098 /nfs/dbraw/zinc/49/80/98/1097498098.db2.gz PUDGOJICFQJRKX-GFCCVEGCSA-N 1 0 323.349 3.063 20 5 DGBDRO COC(=O)c1cccc2cccc(O[C@H](C)C[N+](C)(C)C)c21 ZINC001230887593 1097614787 /nfs/dbraw/zinc/61/47/87/1097614787.db2.gz KIPXHAAVPQFGJT-CYBMUJFWSA-N 1 0 302.394 3.100 20 5 DGBDRO Nc1cn(-c2ccc([N+](=O)[O-])cc2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001174477240 1097740140 /nfs/dbraw/zinc/74/01/40/1097740140.db2.gz HJGMEPVRZHVPBI-UHFFFAOYSA-N 1 0 324.315 3.253 20 5 DGBDRO CCCCCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001175184066 1097971418 /nfs/dbraw/zinc/97/14/18/1097971418.db2.gz BUBWRBSXVBHEPB-UHFFFAOYSA-N 1 0 321.421 3.161 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[NH+]3CCC4(COC4)CC3)nc12 ZINC001232218780 1097971462 /nfs/dbraw/zinc/97/14/62/1097971462.db2.gz HHOCGAQMMKSRIG-UHFFFAOYSA-N 1 0 319.408 3.395 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC001233597719 1098385444 /nfs/dbraw/zinc/38/54/44/1098385444.db2.gz PSKFMTKLTAEOMY-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)cc1 ZINC001176649766 1098409180 /nfs/dbraw/zinc/40/91/80/1098409180.db2.gz LITUVUWJUOMWLH-RYQLBKOJSA-N 1 0 316.401 3.139 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2cc(Cl)cnc2[N+](=O)[O-])CC1 ZINC001233717415 1098414934 /nfs/dbraw/zinc/41/49/34/1098414934.db2.gz VYGFDMALFWBCDL-UHFFFAOYSA-N 1 0 313.785 3.285 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001233837556 1098440232 /nfs/dbraw/zinc/44/02/32/1098440232.db2.gz ZQTRDFBWPFWRMV-BTTYYORXSA-N 1 0 313.357 3.147 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001233836494 1098440419 /nfs/dbraw/zinc/44/04/19/1098440419.db2.gz OBFLOFRUMJVKAT-GFCCVEGCSA-N 1 0 303.362 3.252 20 5 DGBDRO C[NH+](C)CC[C@@H](Oc1ccnc([N+](=O)[O-])c1)c1ccccc1 ZINC001233856781 1098443652 /nfs/dbraw/zinc/44/36/52/1098443652.db2.gz GXVNQNNGQDIIGW-OAHLLOKOSA-N 1 0 301.346 3.062 20 5 DGBDRO Cc1cccnc1[C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001176897330 1098452936 /nfs/dbraw/zinc/45/29/36/1098452936.db2.gz MCCVXLNCSFRSDI-CYBMUJFWSA-N 1 0 301.346 3.028 20 5 DGBDRO C[N@@H+]1CCc2c(cccc2O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001234420282 1098552114 /nfs/dbraw/zinc/55/21/14/1098552114.db2.gz PGRPQWZINDZEHT-QGZVFWFLSA-N 1 0 324.380 3.129 20 5 DGBDRO CC(=O)c1c2ccccc2nc(C)c1O[C@@H](C)C[N+](C)(C)C ZINC001234496121 1098570964 /nfs/dbraw/zinc/57/09/64/1098570964.db2.gz WUHQGSBAMWZGTD-LBPRGKRZSA-N 1 0 301.410 3.219 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](OCC[NH+]2CCCC2)C(F)(F)F)cc1 ZINC001206309143 1098577176 /nfs/dbraw/zinc/57/71/76/1098577176.db2.gz LKOUTQTVEPPQGL-CYBMUJFWSA-N 1 0 318.295 3.311 20 5 DGBDRO C[NH+](C)C1CCC(Oc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001234673914 1098641657 /nfs/dbraw/zinc/64/16/57/1098641657.db2.gz DCPBKOFSFAIVPJ-UHFFFAOYSA-N 1 0 315.373 3.395 20 5 DGBDRO CC1CC(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001179228411 1099042975 /nfs/dbraw/zinc/04/29/75/1099042975.db2.gz HPTHKTMGILCEJN-UHFFFAOYSA-N 1 0 313.195 3.493 20 5 DGBDRO CCC[N@H+](CC(C)C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001190650370 1100315352 /nfs/dbraw/zinc/31/53/52/1100315352.db2.gz CBVSJXSKUIAQSH-MRXNPFEDSA-N 1 0 319.405 3.068 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccccc1[N+](=O)[O-] ZINC001197507736 1101576503 /nfs/dbraw/zinc/57/65/03/1101576503.db2.gz YNLXINJSJOFOCD-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cnoc1 ZINC001203244524 1102065235 /nfs/dbraw/zinc/06/52/35/1102065235.db2.gz CHRQRIRVDJRPQL-UHFFFAOYSA-N 1 0 320.352 3.232 20 5 DGBDRO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H](C)OC ZINC001205923541 1102663734 /nfs/dbraw/zinc/66/37/34/1102663734.db2.gz CBGVYQOKYDWGQC-JTQLQIEISA-N 1 0 320.311 3.470 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cnn2ccccc12 ZINC001202356642 1102957715 /nfs/dbraw/zinc/95/77/15/1102957715.db2.gz HKSHVKOQMOWCKU-UHFFFAOYSA-N 1 0 310.357 3.149 20 5 DGBDRO CCOc1cccc(N2CCC([NH+](CC)CC)CC2)c1[N+](=O)[O-] ZINC001325495361 1103052228 /nfs/dbraw/zinc/05/22/28/1103052228.db2.gz UPZJFCZYMUEMBU-UHFFFAOYSA-N 1 0 321.421 3.304 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccc(C(F)F)c2)cc1 ZINC001326156042 1103218677 /nfs/dbraw/zinc/21/86/77/1103218677.db2.gz LELLSYJOZZBEMO-HNNXBMFYSA-N 1 0 322.311 3.356 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNc2cc(OC)c(C)cc2[N+](=O)[O-])C1 ZINC001328492246 1103966937 /nfs/dbraw/zinc/96/69/37/1103966937.db2.gz QPNXLGCYPKIVBK-CYBMUJFWSA-N 1 0 307.394 3.056 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc3ncccc23)cc1 ZINC001649171821 1104164169 /nfs/dbraw/zinc/16/41/69/1104164169.db2.gz XFYJMUTUPQIJPW-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246460466 1104547866 /nfs/dbraw/zinc/54/78/66/1104547866.db2.gz IJFIQBCCRWVXKH-RDTXWAMCSA-N 1 0 317.433 3.038 20 5 DGBDRO CCCC(CN)(CCC)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246501011 1104566935 /nfs/dbraw/zinc/56/69/35/1104566935.db2.gz JVIBUBZKERQUMW-CQSZACIVSA-N 1 0 307.438 3.413 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246616540 1104629465 /nfs/dbraw/zinc/62/94/65/1104629465.db2.gz WZCKIJDFMQWMLT-QAPCUYQASA-N 1 0 317.433 3.134 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615876 1104630116 /nfs/dbraw/zinc/63/01/16/1104630116.db2.gz UCXFCPHMNFCDTJ-CRAIPNDOSA-N 1 0 317.433 3.134 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001246988111 1104765197 /nfs/dbraw/zinc/76/51/97/1104765197.db2.gz OJINAGNNKYRSMB-WMLDXEAASA-N 1 0 317.433 3.132 20 5 DGBDRO Cc1cc(-c2nc3ccccc3n2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001247047958 1104785513 /nfs/dbraw/zinc/78/55/13/1104785513.db2.gz MGQPLLFUDBPLOL-AWEZNQCLSA-N 1 0 322.368 3.454 20 5 DGBDRO Cc1cc(-c2nc3ccccc3n2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001247047962 1104785686 /nfs/dbraw/zinc/78/56/86/1104785686.db2.gz MGQPLLFUDBPLOL-CQSZACIVSA-N 1 0 322.368 3.454 20 5 DGBDRO C1=C[C@@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)[NH2+]C1 ZINC001248229248 1105075439 /nfs/dbraw/zinc/07/54/39/1105075439.db2.gz NUJULNLINAYFCD-AWEZNQCLSA-N 1 0 315.336 3.034 20 5 DGBDRO [NH3+][C@H]1C[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001248317333 1105095814 /nfs/dbraw/zinc/09/58/14/1105095814.db2.gz OYRVUJVARKKOAW-JOCQHMNTSA-N 1 0 317.352 3.038 20 5 DGBDRO C[N@@H+]1CCc2ncc(Nc3ccc([N+](=O)[O-])cc3Cl)cc2C1 ZINC001248594657 1105133438 /nfs/dbraw/zinc/13/34/38/1105133438.db2.gz OKFXIWIHICFDMV-UHFFFAOYSA-N 1 0 318.764 3.375 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)nc1 ZINC001254531064 1106095112 /nfs/dbraw/zinc/09/51/12/1106095112.db2.gz CGIICSDPEYJGEK-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1nc(C[NH3+])c2ccccc21 ZINC001254538429 1106098105 /nfs/dbraw/zinc/09/81/05/1106098105.db2.gz UYOVLEIRBJGVNN-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO Cc1ccc(C(=O)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254541747 1106099914 /nfs/dbraw/zinc/09/99/14/1106099914.db2.gz IZKYPIRETDPBHV-CQSZACIVSA-N 1 0 312.369 3.307 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(C)(C)N(O)C1(C)C ZINC001254541617 1106099979 /nfs/dbraw/zinc/09/99/79/1106099979.db2.gz ICDXMELSXYCWSQ-WFASDCNBSA-N 1 0 321.421 3.136 20 5 DGBDRO COc1ccc(F)c(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254548234 1106100332 /nfs/dbraw/zinc/10/03/32/1106100332.db2.gz LVGKBWGQHINEAH-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)C[C@]1(C)CO ZINC001254551468 1106101363 /nfs/dbraw/zinc/10/13/63/1106101363.db2.gz BOYDKJWKOAKTDC-CXAGYDPISA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(O)c1 ZINC001254551804 1106101875 /nfs/dbraw/zinc/10/18/75/1106101875.db2.gz FXJSQLQPZBRNQZ-ZDUSSCGKSA-N 1 0 300.358 3.363 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(O)[C@H](C)C1 ZINC001254552806 1106102582 /nfs/dbraw/zinc/10/25/82/1106102582.db2.gz PMLYCTPIEFEGQG-CPUCHLNUSA-N 1 0 306.406 3.009 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1ccccc1F)C2 ZINC001254566257 1106105161 /nfs/dbraw/zinc/10/51/61/1106105161.db2.gz JCBIEICFRJJFBY-HNNXBMFYSA-N 1 0 300.333 3.033 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc(F)cc(F)c1F)C2 ZINC001254571906 1106105792 /nfs/dbraw/zinc/10/57/92/1106105792.db2.gz CYZFEJFIAPLZMF-CYBMUJFWSA-N 1 0 322.286 3.269 20 5 DGBDRO [NH3+]CC[C@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc21 ZINC001254574774 1106106679 /nfs/dbraw/zinc/10/66/79/1106106679.db2.gz KYLCFNSILWQRDL-WMLDXEAASA-N 1 0 323.396 3.015 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCc1ccccc1F)C2 ZINC001254575420 1106106739 /nfs/dbraw/zinc/10/67/39/1106106739.db2.gz QPHBPRJBIOJTSS-MRXNPFEDSA-N 1 0 314.360 3.424 20 5 DGBDRO Cc1ccc(F)cc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571982 1106106785 /nfs/dbraw/zinc/10/67/85/1106106785.db2.gz FWLIRRFDOHTNGE-INIZCTEOSA-N 1 0 300.333 3.299 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CC3(C1)CC(F)(F)C3)C2 ZINC001254580343 1106108542 /nfs/dbraw/zinc/10/85/42/1106108542.db2.gz FMDBSRJOAOFGDW-LBPRGKRZSA-N 1 0 308.328 3.230 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCc1cc(F)cc(F)c1)C2 ZINC001254582015 1106108591 /nfs/dbraw/zinc/10/85/91/1106108591.db2.gz RWSGGENACLLXJN-MRXNPFEDSA-N 1 0 318.323 3.173 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc3ccccc3cn1)C2 ZINC001254580750 1106108605 /nfs/dbraw/zinc/10/86/05/1106108605.db2.gz FLPKMSWTVSYUGK-QGZVFWFLSA-N 1 0 319.364 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1nccc3ccccc31)C2 ZINC001254585408 1106109165 /nfs/dbraw/zinc/10/91/65/1106109165.db2.gz WURPQJJPAKCXIZ-INIZCTEOSA-N 1 0 319.364 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(c3ccccn3)CC1)C2 ZINC001254599003 1106110940 /nfs/dbraw/zinc/11/09/40/1106110940.db2.gz JETWWBVEFHXGDJ-GOSISDBHSA-N 1 0 323.396 3.337 20 5 DGBDRO COc1cccc2c1CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254607274 1106112225 /nfs/dbraw/zinc/11/22/25/1106112225.db2.gz KOTGXFLQTNAORA-QGZVFWFLSA-N 1 0 324.380 3.129 20 5 DGBDRO CC[C@H](C)[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256097208 1106369135 /nfs/dbraw/zinc/36/91/35/1106369135.db2.gz XERMWJMFCUWXQM-ZDUSSCGKSA-N 1 0 321.421 3.303 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC001474664933 1107497319 /nfs/dbraw/zinc/49/73/19/1107497319.db2.gz LCBMSAIORUAKDN-QZCUMHFISA-N 1 0 318.417 3.462 20 5 DGBDRO Cc1cc(N2CCCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC001262372214 1107701410 /nfs/dbraw/zinc/70/14/10/1107701410.db2.gz KSJMXCVAWJODSV-UHFFFAOYSA-N 1 0 312.373 3.015 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001318372656 1107964136 /nfs/dbraw/zinc/96/41/36/1107964136.db2.gz VEWJGBOQUKRFJW-WCQYABFASA-N 1 0 320.418 3.489 20 5 DGBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC001324503936 1108318339 /nfs/dbraw/zinc/31/83/39/1108318339.db2.gz ZTJPUZSABZEHEW-UHFFFAOYSA-N 1 0 321.377 3.013 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2CC(C)(C)C2(C)C)cccc1[N+](=O)[O-] ZINC001319371190 1108433755 /nfs/dbraw/zinc/43/37/55/1108433755.db2.gz UQXIDTPDHGJUMK-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO C[N@@H+]1CC[C@@H]1CNC(=O)c1c2ccccc2cc2ccccc21 ZINC001289119976 1110205662 /nfs/dbraw/zinc/20/56/62/1110205662.db2.gz TVMHEXJDVDSAST-MRXNPFEDSA-N 1 0 304.393 3.427 20 5 DGBDRO CC[N@H+](CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)C(C)C ZINC001306956961 1111254587 /nfs/dbraw/zinc/25/45/87/1111254587.db2.gz LTOCXNDHLPLMSG-UHFFFAOYSA-N 1 0 306.410 3.011 20 5 DGBDRO CC(C)Oc1nc(N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001306971595 1111255973 /nfs/dbraw/zinc/25/59/73/1111255973.db2.gz LKFJIGAFIXQBTE-LBPRGKRZSA-N 1 0 324.425 3.165 20 5 DGBDRO CC[C@H](C[N@H+](CC)Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC001307703495 1111328957 /nfs/dbraw/zinc/32/89/57/1111328957.db2.gz UVFZMEUOQCJQOO-CQSZACIVSA-N 1 0 316.405 3.344 20 5 DGBDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001307706765 1111329950 /nfs/dbraw/zinc/32/99/50/1111329950.db2.gz HLKJXTUXAQDQLY-SWLSCSKDSA-N 1 0 320.389 3.440 20 5 DGBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC001307777856 1111338792 /nfs/dbraw/zinc/33/87/92/1111338792.db2.gz FEPXWVWAUFSSTJ-DZGCQCFKSA-N 1 0 314.332 3.166 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC(C)(C)CC(C)(C)C1 ZINC001307919968 1111355955 /nfs/dbraw/zinc/35/59/55/1111355955.db2.gz FRDZHELNFALMPX-UHFFFAOYSA-N 1 0 308.426 3.248 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2cncn2C)CC1 ZINC001308167903 1111388670 /nfs/dbraw/zinc/38/86/70/1111388670.db2.gz XSIOWXGOOBNYDQ-CYBMUJFWSA-N 1 0 314.389 3.269 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001308201919 1111396454 /nfs/dbraw/zinc/39/64/54/1111396454.db2.gz XEOMIROWSHDPDV-GJZGRUSLSA-N 1 0 305.422 3.256 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](C)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001308232402 1111401935 /nfs/dbraw/zinc/40/19/35/1111401935.db2.gz RVCFNMXEPIRBGV-AWEZNQCLSA-N 1 0 305.422 3.113 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccn(-c3ccccc3)n2)c1 ZINC001308238652 1111402773 /nfs/dbraw/zinc/40/27/73/1111402773.db2.gz XLEPKNSYCUWMGW-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)CCc2cccn2C)cc1[N+](=O)[O-] ZINC001308268486 1111407607 /nfs/dbraw/zinc/40/76/07/1111407607.db2.gz PLKLSHXUOBUVPT-CYBMUJFWSA-N 1 0 317.389 3.053 20 5 DGBDRO O=[N+]([O-])c1cccc(CNC2CC[NH+](C3CCCC3)CC2)c1 ZINC001308301499 1111413761 /nfs/dbraw/zinc/41/37/61/1111413761.db2.gz YPFBXWYEQGDULL-UHFFFAOYSA-N 1 0 303.406 3.091 20 5 DGBDRO Cc1nc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC001308347005 1111419502 /nfs/dbraw/zinc/41/95/02/1111419502.db2.gz BMZGPFMBWDUQPF-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO COc1cccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001308534574 1111439403 /nfs/dbraw/zinc/43/94/03/1111439403.db2.gz DEUAQMXWQXFAKR-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO CC[C@]1(O)CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001308898558 1111490316 /nfs/dbraw/zinc/49/03/16/1111490316.db2.gz VWUPQDDULDGCER-SHRNQRGKSA-N 1 0 304.390 3.235 20 5 DGBDRO CC[C@]1(O)CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001308898556 1111490820 /nfs/dbraw/zinc/49/08/20/1111490820.db2.gz VWUPQDDULDGCER-QXSWTLKVSA-N 1 0 304.390 3.235 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000278449726 214161876 /nfs/dbraw/zinc/16/18/76/214161876.db2.gz LJRPBDPPDHAOOV-CXAGYDPISA-N 1 0 303.406 3.262 20 5 DGBDRO C[C@@H](CCCO)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305790109 231057916 /nfs/dbraw/zinc/05/79/16/231057916.db2.gz AXVNIPZZXVYDIT-KSSFIOAISA-N 1 0 314.385 3.435 20 5 DGBDRO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272850711 210246845 /nfs/dbraw/zinc/24/68/45/210246845.db2.gz HHJPDOPRWCAIFU-STQMWFEESA-N 1 0 304.394 3.055 20 5 DGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3ncccc23)CCC1 ZINC000317774244 231163328 /nfs/dbraw/zinc/16/33/28/231163328.db2.gz BWJUPFKHXLDHJD-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[C@]1(CO)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000428475849 529423707 /nfs/dbraw/zinc/42/37/07/529423707.db2.gz WUNCEYOPVKRTQJ-AFCDSYGPSA-N 1 0 304.390 3.093 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1CC(O)C1 ZINC000432408147 529534175 /nfs/dbraw/zinc/53/41/75/529534175.db2.gz AIRWKBYVSLDQJU-MOKVOYLWSA-N 1 0 324.446 3.216 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000063309171 432005122 /nfs/dbraw/zinc/00/51/22/432005122.db2.gz VYKAVPRQPFSGRU-GFCCVEGCSA-N 1 0 306.362 3.083 20 5 DGBDRO C[C@H](CC[NH+](C)C)Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834363 185232899 /nfs/dbraw/zinc/23/28/99/185232899.db2.gz OIBAUIHBEYPNML-SECBINFHSA-N 1 0 316.199 3.109 20 5 DGBDRO CC[NH+](CC)CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834111 185232908 /nfs/dbraw/zinc/23/29/08/185232908.db2.gz PCHPQZLRXJIFFU-UHFFFAOYSA-N 1 0 316.199 3.111 20 5 DGBDRO C[C@@H](CC[NH+](C)C)Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834362 185232926 /nfs/dbraw/zinc/23/29/26/185232926.db2.gz OIBAUIHBEYPNML-VIFPVBQESA-N 1 0 316.199 3.109 20 5 DGBDRO CCc1ccnc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c1 ZINC000435592377 529628670 /nfs/dbraw/zinc/62/86/70/529628670.db2.gz KNEFUSCKCJMDMO-UHFFFAOYSA-N 1 0 322.368 3.443 20 5 DGBDRO CSC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000090112303 185282818 /nfs/dbraw/zinc/28/28/18/185282818.db2.gz HOVBQYJMNUGUOM-CYBMUJFWSA-N 1 0 324.446 3.466 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413312456 529701850 /nfs/dbraw/zinc/70/18/50/529701850.db2.gz GGUVAXAORIPQLE-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO CCC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000181659306 199333749 /nfs/dbraw/zinc/33/37/49/199333749.db2.gz GYLKKZPNTPIGPE-AWEZNQCLSA-N 1 0 324.331 3.201 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC1(C)C ZINC000286852834 219195620 /nfs/dbraw/zinc/19/56/20/219195620.db2.gz AMUIXIRCTYPNTL-RISCZKNCSA-N 1 0 305.378 3.090 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCOCC2)cc1[N+](=O)[O-] ZINC000183346303 199579193 /nfs/dbraw/zinc/57/91/93/199579193.db2.gz QWZDTMHHVFBIAS-GXTWGEPZSA-N 1 0 308.378 3.213 20 5 DGBDRO CCC(=O)c1ccc(NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000279944693 215260308 /nfs/dbraw/zinc/26/03/08/215260308.db2.gz AQVMAMBTFXXODJ-UHFFFAOYSA-N 1 0 319.405 3.472 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000279959755 215272054 /nfs/dbraw/zinc/27/20/54/215272054.db2.gz YHRYVGDFHCBNJF-ZFWWWQNUSA-N 1 0 322.405 3.119 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000287138109 219338429 /nfs/dbraw/zinc/33/84/29/219338429.db2.gz XFECYCDBBQESDL-MRXNPFEDSA-N 1 0 318.352 3.031 20 5 DGBDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000177853552 186194301 /nfs/dbraw/zinc/19/43/01/186194301.db2.gz DCKSAFZZHVTGSO-ZDUSSCGKSA-N 1 0 302.378 3.218 20 5 DGBDRO COC(C)(C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130507413 432026424 /nfs/dbraw/zinc/02/64/24/432026424.db2.gz MQLSHQZLDRBRSO-DZGCQCFKSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000107070559 432027488 /nfs/dbraw/zinc/02/74/88/432027488.db2.gz NQDBMBKXHKRLCZ-QWHCGFSZSA-N 1 0 313.357 3.273 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@@H]2O)s1 ZINC000172632406 198129480 /nfs/dbraw/zinc/12/94/80/198129480.db2.gz QQNLKGQHJUXIKY-ZFWWWQNUSA-N 1 0 318.398 3.326 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1C(C)C ZINC000072664139 191211713 /nfs/dbraw/zinc/21/17/13/191211713.db2.gz RAKGVMXFLDBZBJ-INIZCTEOSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000072682967 191214304 /nfs/dbraw/zinc/21/43/04/191214304.db2.gz RBGANHNDGWOMSV-OAHLLOKOSA-N 1 0 321.402 3.345 20 5 DGBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173403209 198211227 /nfs/dbraw/zinc/21/12/27/198211227.db2.gz UDKXYSLRWAIJBA-RYUDHWBXSA-N 1 0 308.378 3.366 20 5 DGBDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000331953961 234314520 /nfs/dbraw/zinc/31/45/20/234314520.db2.gz KLQAVOCLBYQTDP-HNNXBMFYSA-N 1 0 317.389 3.249 20 5 DGBDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236777773 202004453 /nfs/dbraw/zinc/00/44/53/202004453.db2.gz OMCWFOGIRLDFGE-HNNXBMFYSA-N 1 0 320.414 3.430 20 5 DGBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000080278503 192020498 /nfs/dbraw/zinc/02/04/98/192020498.db2.gz OQRXWTUIYDMRIR-CYBMUJFWSA-N 1 0 307.375 3.171 20 5 DGBDRO COC[C@H](C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179368174 432055881 /nfs/dbraw/zinc/05/58/81/432055881.db2.gz VRQAYMKGQQRGTG-LBPRGKRZSA-N 1 0 304.346 3.322 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CSCCS2)cccc1[N+](=O)[O-] ZINC000165752483 432057067 /nfs/dbraw/zinc/05/70/67/432057067.db2.gz QRJXSNGDJNECAY-NEPJUHHUSA-N 1 0 312.460 3.402 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081568990 192293941 /nfs/dbraw/zinc/29/39/41/192293941.db2.gz NZNKRMGOIRMGCF-HNNXBMFYSA-N 1 0 305.422 3.067 20 5 DGBDRO CCC[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000166271167 432059447 /nfs/dbraw/zinc/05/94/47/432059447.db2.gz LGDHWFDOKRFMSL-DLBZAZTESA-N 1 0 305.422 3.366 20 5 DGBDRO C[N@H+](CCCNCc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000237087733 202147986 /nfs/dbraw/zinc/14/79/86/202147986.db2.gz QACFSPCDMMVAMF-UHFFFAOYSA-N 1 0 319.430 3.268 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000276916720 213174773 /nfs/dbraw/zinc/17/47/73/213174773.db2.gz PYSPECUGHQDPEF-WBMJQRKESA-N 1 0 324.421 3.440 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000166605371 432062201 /nfs/dbraw/zinc/06/22/01/432062201.db2.gz CGDJKWPOBIVTKH-UYHISHBKSA-N 1 0 312.369 3.212 20 5 DGBDRO CCOc1cc(C[NH2+][C@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000276880947 213151737 /nfs/dbraw/zinc/15/17/37/213151737.db2.gz ISPJOMTXOGNDEV-GFCCVEGCSA-N 1 0 301.346 3.239 20 5 DGBDRO CCc1nn(C)cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000179696340 432067756 /nfs/dbraw/zinc/06/77/56/432067756.db2.gz KCJUKOVYFQVEHR-UHFFFAOYSA-N 1 0 316.405 3.301 20 5 DGBDRO Cc1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000179769659 432070156 /nfs/dbraw/zinc/07/01/56/432070156.db2.gz GXHGDOUBSXKJCI-UHFFFAOYSA-N 1 0 317.433 3.354 20 5 DGBDRO C[C@@]1(O)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000180190645 199128284 /nfs/dbraw/zinc/12/82/84/199128284.db2.gz GGIBOARRACIFKH-MRXNPFEDSA-N 1 0 318.398 3.280 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000134375197 432076869 /nfs/dbraw/zinc/07/68/69/432076869.db2.gz CRWVKAPODZNVKW-INIZCTEOSA-N 1 0 324.421 3.221 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3c2CCCN3)c(F)c1 ZINC000415042711 237026005 /nfs/dbraw/zinc/02/60/05/237026005.db2.gz VGTPDVGZOOBQKI-UHFFFAOYSA-N 1 0 315.348 3.382 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415580371 237223086 /nfs/dbraw/zinc/22/30/86/237223086.db2.gz LXNJPUBZERPMCN-ZDUSSCGKSA-N 1 0 322.409 3.049 20 5 DGBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH+]1CCCC1 ZINC000281122174 216093021 /nfs/dbraw/zinc/09/30/21/216093021.db2.gz CEVIHCJQTQKSKU-RMKNXTFCSA-N 1 0 303.406 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[C@H](O)C3)o2)cc1 ZINC000188843727 200312076 /nfs/dbraw/zinc/31/20/76/200312076.db2.gz OHLCOSGGSBFTMQ-WFASDCNBSA-N 1 0 316.357 3.105 20 5 DGBDRO Cc1c(C[NH+]2CCC([C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000189227118 200366601 /nfs/dbraw/zinc/36/66/01/200366601.db2.gz CMAZVQAFLNQXIN-QGZVFWFLSA-N 1 0 304.390 3.294 20 5 DGBDRO CC(C)[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180552505 432089942 /nfs/dbraw/zinc/08/99/42/432089942.db2.gz FXYYONIWTDPYSF-MSOLQXFVSA-N 1 0 314.385 3.291 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000430129900 238068254 /nfs/dbraw/zinc/06/82/54/238068254.db2.gz VOUSUUWIWZZOMQ-DHSIGJKJSA-N 1 0 317.433 3.065 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](C)c1nccs1 ZINC000430207127 238070985 /nfs/dbraw/zinc/07/09/85/238070985.db2.gz YVDRLTLTGYTSLY-NSHDSACASA-N 1 0 321.402 3.295 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCC[C@@H]1C ZINC000430239681 238072307 /nfs/dbraw/zinc/07/23/07/238072307.db2.gz BPZWEBJPMMEDED-BBRMVZONSA-N 1 0 322.405 3.240 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC2CC(O)C2)o1 ZINC000432370561 238126599 /nfs/dbraw/zinc/12/65/99/238126599.db2.gz VEGCHQBWWFBWGM-UHFFFAOYSA-N 1 0 316.357 3.105 20 5 DGBDRO C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000193064057 200985964 /nfs/dbraw/zinc/98/59/64/200985964.db2.gz BQFSZRRURQQANF-ZDUSSCGKSA-N 1 0 320.389 3.179 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193386731 201042525 /nfs/dbraw/zinc/04/25/25/201042525.db2.gz NNLJVOWEMQYVBG-ZDUSSCGKSA-N 1 0 306.410 3.244 20 5 DGBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC1([NH+](C)C)CCC1 ZINC000438481791 238769893 /nfs/dbraw/zinc/76/98/93/238769893.db2.gz YUBFOYSVSLMKTI-TWGQIWQCSA-N 1 0 303.406 3.024 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000193926392 201147036 /nfs/dbraw/zinc/14/70/36/201147036.db2.gz YDIFVPGLXGCZPV-CJNGLKHVSA-N 1 0 319.405 3.037 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CCC=CO3)CC2)cc1 ZINC000194002729 201160345 /nfs/dbraw/zinc/16/03/45/201160345.db2.gz VDXVKLVIWVBNSK-KRWDZBQOSA-N 1 0 318.373 3.131 20 5 DGBDRO CCO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000194465698 201233506 /nfs/dbraw/zinc/23/35/06/201233506.db2.gz SGGMEUOLWDXLGJ-QGZVFWFLSA-N 1 0 300.358 3.462 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000441444554 239053037 /nfs/dbraw/zinc/05/30/37/239053037.db2.gz DOVUQHVNYUTIKD-CHWSQXEVSA-N 1 0 308.378 3.103 20 5 DGBDRO CC[C@H]([NH2+]CCCc1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000194755722 201283687 /nfs/dbraw/zinc/28/36/87/201283687.db2.gz QNGJFLRDAQODFX-INIZCTEOSA-N 1 0 302.378 3.300 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2cncc(F)c2)C2CC2)c1 ZINC000281549929 216376604 /nfs/dbraw/zinc/37/66/04/216376604.db2.gz JFJIKUHTLJWJRD-KRWDZBQOSA-N 1 0 315.348 3.412 20 5 DGBDRO C[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000271851422 209268782 /nfs/dbraw/zinc/26/87/82/209268782.db2.gz ISUOKKIXXQBENW-ZIAGYGMSSA-N 1 0 306.406 3.434 20 5 DGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)[C@@H](C)C[N@@H+]1C ZINC000443504668 239206062 /nfs/dbraw/zinc/20/60/62/239206062.db2.gz YQZYBNAZEUDDTE-OLZOCXBDSA-N 1 0 321.421 3.301 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccco1)N(C)C ZINC000449063435 239999121 /nfs/dbraw/zinc/99/91/21/239999121.db2.gz MRFYYSKJZWBTEC-XJKSGUPXSA-N 1 0 317.389 3.011 20 5 DGBDRO CCc1nc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449112792 240023862 /nfs/dbraw/zinc/02/38/62/240023862.db2.gz SRWTVYYXJHODSQ-LBPRGKRZSA-N 1 0 319.430 3.377 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)c1nccs1 ZINC000449237816 240085949 /nfs/dbraw/zinc/08/59/49/240085949.db2.gz PBEXJXDYMILPMR-NWDGAFQWSA-N 1 0 305.403 3.376 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CCCCC1 ZINC000449173172 240050476 /nfs/dbraw/zinc/05/04/76/240050476.db2.gz NJFSARFPKWUFCD-HNNXBMFYSA-N 1 0 320.433 3.448 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CCCC1 ZINC000449170101 240050610 /nfs/dbraw/zinc/05/06/10/240050610.db2.gz FPBWIKDLPJZBHK-CQSZACIVSA-N 1 0 306.406 3.058 20 5 DGBDRO CCc1cnc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449170358 240051128 /nfs/dbraw/zinc/05/11/28/240051128.db2.gz IIQGSBBPQCOBQA-LBPRGKRZSA-N 1 0 319.430 3.377 20 5 DGBDRO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449174239 240051987 /nfs/dbraw/zinc/05/19/87/240051987.db2.gz MIHDIZSMSOPYHA-HUUCEWRRSA-N 1 0 308.422 3.160 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000449181502 240055658 /nfs/dbraw/zinc/05/56/58/240055658.db2.gz HUCQPJIYHOQRPN-CZUORRHYSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000449225019 240077950 /nfs/dbraw/zinc/07/79/50/240077950.db2.gz JPARWUYEVNMNCJ-IUODEOHRSA-N 1 0 306.406 3.462 20 5 DGBDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449263817 240099671 /nfs/dbraw/zinc/09/96/71/240099671.db2.gz MFJHLWCLAAYOAI-YSVLISHTSA-N 1 0 306.406 3.177 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000449277560 240103822 /nfs/dbraw/zinc/10/38/22/240103822.db2.gz GDBISJCTDMWRAU-RDTXWAMCSA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000449246505 240090320 /nfs/dbraw/zinc/09/03/20/240090320.db2.gz DPIHFNGKAGBNDH-ISTRZQFTSA-N 1 0 304.390 3.073 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449246597 240090893 /nfs/dbraw/zinc/09/08/93/240090893.db2.gz DLOJTBJXJYKPGM-UNEWFSDZSA-N 1 0 306.406 3.319 20 5 DGBDRO C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449357261 240155143 /nfs/dbraw/zinc/15/51/43/240155143.db2.gz KRWQINLYCAOSFV-ZMSDIMECSA-N 1 0 320.433 3.304 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COc2ccccc21 ZINC000449327922 240135059 /nfs/dbraw/zinc/13/50/59/240135059.db2.gz GXEWQKDKIHBZNE-DZGCQCFKSA-N 1 0 312.369 3.292 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OCC)[C@H](C)C1 ZINC000449495971 240246883 /nfs/dbraw/zinc/24/68/83/240246883.db2.gz PDQOAIBGEHCSOV-CJNGLKHVSA-N 1 0 322.405 3.240 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000449474004 240229199 /nfs/dbraw/zinc/22/91/99/240229199.db2.gz RHDOMGQRRTZGBH-CSTNVRLQSA-N 1 0 316.401 3.233 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000449513248 240259363 /nfs/dbraw/zinc/25/93/63/240259363.db2.gz VPTKGPDRZHZSTC-RDJZCZTQSA-N 1 0 308.422 3.282 20 5 DGBDRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449566060 240292769 /nfs/dbraw/zinc/29/27/69/240292769.db2.gz MUSZVXYBVJRCQP-OLZOCXBDSA-N 1 0 302.378 3.093 20 5 DGBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449639769 240340527 /nfs/dbraw/zinc/34/05/27/240340527.db2.gz QNVBOGNOTIXQCX-GDBMZVCRSA-N 1 0 318.373 3.494 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]1CO ZINC000449708275 240376901 /nfs/dbraw/zinc/37/69/01/240376901.db2.gz GKBXEMYAUCFBLZ-LLLHUVSDSA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1ccc(C[NH2+]CC(C)(C)C2(O)CCCC2)cc1[N+](=O)[O-] ZINC000449735516 240389557 /nfs/dbraw/zinc/38/95/57/240389557.db2.gz HHEXFXPGXHFKTI-UHFFFAOYSA-N 1 0 306.406 3.324 20 5 DGBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000246213802 432107949 /nfs/dbraw/zinc/10/79/49/432107949.db2.gz YFDGLQJLNRAPAO-VNHYZAJKSA-N 1 0 317.389 3.186 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451108553 241008221 /nfs/dbraw/zinc/00/82/21/241008221.db2.gz WUHYPDCMWSTZER-LBPRGKRZSA-N 1 0 304.321 3.464 20 5 DGBDRO CCC1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000451272435 241065880 /nfs/dbraw/zinc/06/58/80/241065880.db2.gz GMUNHXXQTDMIHT-UHFFFAOYSA-N 1 0 308.378 3.295 20 5 DGBDRO Cc1oncc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542878 241165495 /nfs/dbraw/zinc/16/54/95/241165495.db2.gz ANDSTGRUZCOTDY-CQSZACIVSA-N 1 0 301.346 3.271 20 5 DGBDRO Cc1ccnc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451542873 241165912 /nfs/dbraw/zinc/16/59/12/241165912.db2.gz AMZACCSOMFHOKS-HNNXBMFYSA-N 1 0 312.373 3.073 20 5 DGBDRO Cc1c(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000451594268 241183794 /nfs/dbraw/zinc/18/37/94/241183794.db2.gz DHVQKGZSSOLMCK-DOTOQJQBSA-N 1 0 308.422 3.282 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000451971208 241288525 /nfs/dbraw/zinc/28/85/25/241288525.db2.gz ZMUUFGQPUJDQIC-INIZCTEOSA-N 1 0 322.430 3.193 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000454152900 241871041 /nfs/dbraw/zinc/87/10/41/241871041.db2.gz UKSWZDOEVJQWIR-UHFFFAOYSA-N 1 0 322.409 3.145 20 5 DGBDRO CCc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000456165079 242367175 /nfs/dbraw/zinc/36/71/75/242367175.db2.gz HQBDEZFEZVIQEK-UHFFFAOYSA-N 1 0 321.421 3.007 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181207764 432118436 /nfs/dbraw/zinc/11/84/36/432118436.db2.gz YQZYYORVFKISRJ-UKRRQHHQSA-N 1 0 319.405 3.035 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467833606 244008511 /nfs/dbraw/zinc/00/85/11/244008511.db2.gz AEWCPCIDSJMJKO-GOEBONIOSA-N 1 0 314.385 3.097 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000469072454 244083055 /nfs/dbraw/zinc/08/30/55/244083055.db2.gz XHGUTJJVRSVHRI-LBPRGKRZSA-N 1 0 309.410 3.129 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)C(C)(C)C[NH+](C)C ZINC000469069858 244083190 /nfs/dbraw/zinc/08/31/90/244083190.db2.gz XHGUTJJVRSVHRI-GFCCVEGCSA-N 1 0 309.410 3.129 20 5 DGBDRO CCOC(=O)C[C@@H](C)[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470206582 244158842 /nfs/dbraw/zinc/15/88/42/244158842.db2.gz RZPFNOPOHJTVTQ-RNQWEJQRSA-N 1 0 320.389 3.272 20 5 DGBDRO Cc1ccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000093659989 193285579 /nfs/dbraw/zinc/28/55/79/193285579.db2.gz CTSWSKPFAHRGDT-MRXNPFEDSA-N 1 0 305.422 3.209 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000449233886 296148382 /nfs/dbraw/zinc/14/83/82/296148382.db2.gz NTSBAXRHHPDNNI-NWDGAFQWSA-N 1 0 303.337 3.411 20 5 DGBDRO CCOc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000486981586 245009045 /nfs/dbraw/zinc/00/90/45/245009045.db2.gz OMVPQVWLVGIVNR-CQSZACIVSA-N 1 0 321.421 3.304 20 5 DGBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1C ZINC000488102744 245146396 /nfs/dbraw/zinc/14/63/96/245146396.db2.gz HQCJHURFAGYWCK-PBHICJAKSA-N 1 0 306.406 3.274 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000488435898 245190734 /nfs/dbraw/zinc/19/07/34/245190734.db2.gz SQOVFJMAFBJAHR-WFASDCNBSA-N 1 0 310.419 3.223 20 5 DGBDRO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000264909343 204260550 /nfs/dbraw/zinc/26/05/50/204260550.db2.gz YPOLUWYCYLYOQL-GUYCJALGSA-N 1 0 300.358 3.153 20 5 DGBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264965491 204309539 /nfs/dbraw/zinc/30/95/39/204309539.db2.gz PGDVOZAGCPVGKH-ZYHUDNBSSA-N 1 0 303.387 3.464 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000127821821 284353044 /nfs/dbraw/zinc/35/30/44/284353044.db2.gz MXWSBLGTMXAFGC-INIZCTEOSA-N 1 0 308.341 3.197 20 5 DGBDRO Cc1cnc(NC[C@@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000266221094 205195183 /nfs/dbraw/zinc/19/51/83/205195183.db2.gz QLCUPOIZNDGNGL-LBPRGKRZSA-N 1 0 306.391 3.075 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000016445629 182045290 /nfs/dbraw/zinc/04/52/90/182045290.db2.gz UHORNKHGTUDUMJ-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283151218 217463759 /nfs/dbraw/zinc/46/37/59/217463759.db2.gz CJKJPZQGUNRCOX-STQMWFEESA-N 1 0 305.378 3.186 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000267544500 206135493 /nfs/dbraw/zinc/13/54/93/206135493.db2.gz QFYXTDDJVGQPAK-UHFFFAOYSA-N 1 0 319.405 3.042 20 5 DGBDRO CCc1ccc([C@@H](CNc2ncc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000190303126 432142315 /nfs/dbraw/zinc/14/23/15/432142315.db2.gz KRXZZUBTVIXKDL-CYBMUJFWSA-N 1 0 320.418 3.329 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000441356939 296240137 /nfs/dbraw/zinc/24/01/37/296240137.db2.gz MSOZICYDOJJXBM-LSDHHAIUSA-N 1 0 305.422 3.462 20 5 DGBDRO C[C@H](CO)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268853650 432145059 /nfs/dbraw/zinc/14/50/59/432145059.db2.gz QKKRRGZIVJOEHC-GHMZBOCLSA-N 1 0 306.387 3.355 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)CCC[NH+](CC)CC ZINC000319094286 284606459 /nfs/dbraw/zinc/60/64/59/284606459.db2.gz ALGMUSZHBPWIAI-GFCCVEGCSA-N 1 0 311.430 3.042 20 5 DGBDRO COCCCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268978324 432148896 /nfs/dbraw/zinc/14/88/96/432148896.db2.gz HJKUDBXXBQPADM-MRXNPFEDSA-N 1 0 306.406 3.322 20 5 DGBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1CC1 ZINC000104675213 194023891 /nfs/dbraw/zinc/02/38/91/194023891.db2.gz PKMWRDAXDXRSPI-UHFFFAOYSA-N 1 0 301.346 3.134 20 5 DGBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000284850855 218207218 /nfs/dbraw/zinc/20/72/18/218207218.db2.gz ACHPTBJJQMEQCL-NWANDNLSSA-N 1 0 321.421 3.421 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000285084579 218284261 /nfs/dbraw/zinc/28/42/61/218284261.db2.gz JTYJEMHNMMHJAW-DETPVDSQSA-N 1 0 307.394 3.031 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000245510333 284819089 /nfs/dbraw/zinc/81/90/89/284819089.db2.gz WDLDLEMUFTXEIY-YDHLFZDLSA-N 1 0 322.405 3.195 20 5 DGBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000109782220 194286018 /nfs/dbraw/zinc/28/60/18/194286018.db2.gz KHOZKZQHKGVFST-ZDUSSCGKSA-N 1 0 316.357 3.372 20 5 DGBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268865289 207034164 /nfs/dbraw/zinc/03/41/64/207034164.db2.gz HBPYVXWONJUDTM-CXAGYDPISA-N 1 0 300.358 3.153 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000110798494 194360141 /nfs/dbraw/zinc/36/01/41/194360141.db2.gz FAHVMZSVYWGLLJ-SECBINFHSA-N 1 0 303.284 3.025 20 5 DGBDRO CCC[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268953036 207115704 /nfs/dbraw/zinc/11/57/04/207115704.db2.gz VYCGPFKFXFLJPZ-HNNXBMFYSA-N 1 0 319.405 3.071 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC000268975171 207136993 /nfs/dbraw/zinc/13/69/93/207136993.db2.gz GSCRDFDBNRKWJA-CYBMUJFWSA-N 1 0 306.391 3.075 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000158040896 197238428 /nfs/dbraw/zinc/23/84/28/197238428.db2.gz ARYTWKAZOLBTPS-WBMJQRKESA-N 1 0 324.421 3.441 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000269057992 207207124 /nfs/dbraw/zinc/20/71/24/207207124.db2.gz STBULUNRRXSGGG-BLLLJJGKSA-N 1 0 318.373 3.141 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000065668060 184376521 /nfs/dbraw/zinc/37/65/21/184376521.db2.gz WKYDZOSQHRJHDK-UHFFFAOYSA-N 1 0 314.341 3.046 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000117394854 194821319 /nfs/dbraw/zinc/82/13/19/194821319.db2.gz FDGZPZOXHJZMPP-QWHCGFSZSA-N 1 0 310.419 3.367 20 5 DGBDRO COc1ccc(OCC[N@H+](C(C)C)C2CCC2)c([N+](=O)[O-])c1 ZINC000173518797 533013066 /nfs/dbraw/zinc/01/30/66/533013066.db2.gz AQRFRSKTSKSDTO-UHFFFAOYSA-N 1 0 308.378 3.245 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CO ZINC000249088254 285053716 /nfs/dbraw/zinc/05/37/16/285053716.db2.gz MWJZQEXLMWECNH-WBMJQRKESA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000249298737 285068004 /nfs/dbraw/zinc/06/80/04/285068004.db2.gz CJVWTLOVJVNMDB-HZSPNIEDSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000336853243 253007640 /nfs/dbraw/zinc/00/76/40/253007640.db2.gz FYDZAXIFNNKISS-NWDGAFQWSA-N 1 0 300.362 3.038 20 5 DGBDRO CC[C@]1(C)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337209264 253062593 /nfs/dbraw/zinc/06/25/93/253062593.db2.gz AOHMNLXVIHHDIL-MRXNPFEDSA-N 1 0 305.378 3.045 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000341742449 285088281 /nfs/dbraw/zinc/08/82/81/285088281.db2.gz DTVXBNDQBINARB-SNVBAGLBSA-N 1 0 316.188 3.186 20 5 DGBDRO C[C@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337456832 253118999 /nfs/dbraw/zinc/11/89/99/253118999.db2.gz ICXKFMBXCKOGMI-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000337336640 253091400 /nfs/dbraw/zinc/09/14/00/253091400.db2.gz NKPRNWYYARWGCY-UHFFFAOYSA-N 1 0 307.394 3.291 20 5 DGBDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000270306309 208380020 /nfs/dbraw/zinc/38/00/20/208380020.db2.gz TVEHBKMNSSYXPA-CYBMUJFWSA-N 1 0 318.373 3.353 20 5 DGBDRO COC(=O)C(C)(C)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000338547988 253307562 /nfs/dbraw/zinc/30/75/62/253307562.db2.gz FQTHIFVKOBJYRY-UHFFFAOYSA-N 1 0 320.389 3.149 20 5 DGBDRO COc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000338477781 253294144 /nfs/dbraw/zinc/29/41/44/253294144.db2.gz QJXHCOACXHYNBZ-BTTYYORXSA-N 1 0 322.405 3.287 20 5 DGBDRO CC[N@H+](C)CCNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338653807 253327705 /nfs/dbraw/zinc/32/77/05/253327705.db2.gz MWLQHPRMTDAQNF-UHFFFAOYSA-N 1 0 305.300 3.286 20 5 DGBDRO Cc1cc(NCC[N@H+]2CC=CCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000338714329 253340330 /nfs/dbraw/zinc/34/03/30/253340330.db2.gz XVAXHWGUKLJASE-UHFFFAOYSA-N 1 0 312.373 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)cc1C(F)(F)F ZINC000338714378 253340621 /nfs/dbraw/zinc/34/06/21/253340621.db2.gz YSAFZKLCJWUBFB-UHFFFAOYSA-N 1 0 315.295 3.287 20 5 DGBDRO CC(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000339000407 253387259 /nfs/dbraw/zinc/38/72/59/253387259.db2.gz KYAIHMJIXZXPDF-CHWSQXEVSA-N 1 0 319.405 3.472 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000301751541 285128994 /nfs/dbraw/zinc/12/89/94/285128994.db2.gz BCVWXBGWMVVERT-CXAGYDPISA-N 1 0 301.390 3.048 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCOCC(F)F)C2)cc1 ZINC000451544350 285139568 /nfs/dbraw/zinc/13/95/68/285139568.db2.gz DXXVUDNQAHEHFD-ZDUSSCGKSA-N 1 0 314.332 3.056 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000340446252 253624213 /nfs/dbraw/zinc/62/42/13/253624213.db2.gz KVBDIRIUIXCDLA-QWHCGFSZSA-N 1 0 315.373 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1c3ccccc3C[C@H]1O)CCC2 ZINC000192943866 285145492 /nfs/dbraw/zinc/14/54/92/285145492.db2.gz GJZVSACZJSCFBC-QRVBRYPASA-N 1 0 324.380 3.220 20 5 DGBDRO CCOCC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000342413709 253982424 /nfs/dbraw/zinc/98/24/24/253982424.db2.gz IYQABOKYHNEWNS-UHFFFAOYSA-N 1 0 310.394 3.146 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000342601546 254016621 /nfs/dbraw/zinc/01/66/21/254016621.db2.gz WHHUJSOEIVCCBM-INIZCTEOSA-N 1 0 322.405 3.383 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000157695682 197208917 /nfs/dbraw/zinc/20/89/17/197208917.db2.gz PHWQWBBMHDFBRB-MEDUHNTESA-N 1 0 304.321 3.118 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCC(F)(F)F)n1 ZINC000442864086 285169822 /nfs/dbraw/zinc/16/98/22/285169822.db2.gz YNEFBNPDZVJIED-MNOVXSKESA-N 1 0 320.315 3.207 20 5 DGBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000343970754 254207795 /nfs/dbraw/zinc/20/77/95/254207795.db2.gz IOKJYUXUNINJLD-CQSZACIVSA-N 1 0 319.405 3.474 20 5 DGBDRO COc1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1O ZINC000255771731 285179736 /nfs/dbraw/zinc/17/97/36/285179736.db2.gz LLYLLLKZIMDDIB-XQRVVYSFSA-N 1 0 314.341 3.112 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344090860 254224179 /nfs/dbraw/zinc/22/41/79/254224179.db2.gz JIKAQGWPQAUWPS-OCCSQVGLSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1CCCC1 ZINC000344186929 254237107 /nfs/dbraw/zinc/23/71/07/254237107.db2.gz GCHVDWNWZSRHSW-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)(C)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCO ZINC000255870713 285183416 /nfs/dbraw/zinc/18/34/16/285183416.db2.gz ZVHPGGSVQJLVOS-TWGQIWQCSA-N 1 0 306.406 3.339 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000343993506 254210588 /nfs/dbraw/zinc/21/05/88/254210588.db2.gz OJUCGVVCGJARDX-JSGCOSHPSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCOC1 ZINC000344622466 254290338 /nfs/dbraw/zinc/29/03/38/254290338.db2.gz ZCJMVQXUJOWVEN-TZMCWYRMSA-N 1 0 316.357 3.369 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])cc1O ZINC000344359988 254262052 /nfs/dbraw/zinc/26/20/52/254262052.db2.gz NMMYLVNKDNJOMH-SGMGOOAPSA-N 1 0 320.389 3.367 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000430214804 533136366 /nfs/dbraw/zinc/13/63/66/533136366.db2.gz BKHFAEBQZHNXCY-QGZVFWFLSA-N 1 0 322.405 3.024 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000344833719 254309467 /nfs/dbraw/zinc/30/94/67/254309467.db2.gz ZVSLNYCEDDULOY-LLVKDONJSA-N 1 0 300.305 3.271 20 5 DGBDRO COCCC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000345013983 254323117 /nfs/dbraw/zinc/32/31/17/254323117.db2.gz LZBQEXQXQHKMEL-UVTDQMKNSA-N 1 0 304.390 3.404 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000154263377 196952970 /nfs/dbraw/zinc/95/29/70/196952970.db2.gz AGCPIUYRSNZJGO-STQMWFEESA-N 1 0 322.405 3.459 20 5 DGBDRO CC(=O)Nc1cccc([C@H](C)NCc2ccccc2[N+](=O)[O-])c1 ZINC000120693152 195218031 /nfs/dbraw/zinc/21/80/31/195218031.db2.gz AVOBPUUQZGNWCO-LBPRGKRZSA-N 1 0 313.357 3.404 20 5 DGBDRO COc1ccsc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289582084 221083906 /nfs/dbraw/zinc/08/39/06/221083906.db2.gz UAZMOMOGVOBDLU-UHFFFAOYSA-N 1 0 306.387 3.339 20 5 DGBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000289706718 221169127 /nfs/dbraw/zinc/16/91/27/221169127.db2.gz FCVGWWXZBBTBGX-NEPJUHHUSA-N 1 0 304.346 3.368 20 5 DGBDRO C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])OCCc2sccc21 ZINC000289866922 221279547 /nfs/dbraw/zinc/27/95/47/221279547.db2.gz QUZKGOMWQJXQET-MRXNPFEDSA-N 1 0 318.398 3.234 20 5 DGBDRO CCC[C@@H]([NH2+]CCc1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000289982533 221360669 /nfs/dbraw/zinc/36/06/69/221360669.db2.gz XYBXTWILKOQNRJ-CQSZACIVSA-N 1 0 320.418 3.428 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000294950769 224333476 /nfs/dbraw/zinc/33/34/76/224333476.db2.gz ATIZOKHAKJCJSP-ZIAGYGMSSA-N 1 0 303.406 3.072 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)c1 ZINC000294951646 224334246 /nfs/dbraw/zinc/33/42/46/224334246.db2.gz DAZZBRUEMSMJTQ-CQSZACIVSA-N 1 0 302.330 3.123 20 5 DGBDRO Cc1ncsc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000294967154 224345824 /nfs/dbraw/zinc/34/58/24/224345824.db2.gz ISCIRMUMYYLQNQ-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271620885 209066529 /nfs/dbraw/zinc/06/65/29/209066529.db2.gz DCGKBXHYPGLJQF-GUYCJALGSA-N 1 0 300.358 3.287 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000470200598 533383211 /nfs/dbraw/zinc/38/32/11/533383211.db2.gz CADBISOUQFWTIP-FHYOKYKPSA-N 1 0 315.417 3.024 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000468630949 533385235 /nfs/dbraw/zinc/38/52/35/533385235.db2.gz NBEGAGXYUMUQGO-CLARTRLESA-N 1 0 324.380 3.246 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000470183038 533407243 /nfs/dbraw/zinc/40/72/43/533407243.db2.gz OXPAOKPWAPDTQT-YUOYJMCBSA-N 1 0 304.390 3.233 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cn2ccccc2n1 ZINC000468604178 533408466 /nfs/dbraw/zinc/40/84/66/533408466.db2.gz XDMSZXWUCUJLIP-NTEUORMPSA-N 1 0 322.368 3.436 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN(C)C1CCCC1 ZINC000468643553 533409163 /nfs/dbraw/zinc/40/91/63/533409163.db2.gz QGZGIPBRUMPWCE-NTCAYCPXSA-N 1 0 317.433 3.462 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293695750 533526250 /nfs/dbraw/zinc/52/62/50/533526250.db2.gz LDGKDJZEEIGEFW-MEBBXXQBSA-N 1 0 313.357 3.221 20 5 DGBDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296659058 533479460 /nfs/dbraw/zinc/47/94/60/533479460.db2.gz ZPOMEZVWWRDKDH-WFASDCNBSA-N 1 0 306.406 3.055 20 5 DGBDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000294678272 533639619 /nfs/dbraw/zinc/63/96/19/533639619.db2.gz HYKPQAMKAYFQEH-GFCCVEGCSA-N 1 0 315.373 3.345 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000168951438 296504013 /nfs/dbraw/zinc/50/40/13/296504013.db2.gz SGQAOYSBRYPGPV-OAGGEKHMSA-N 1 0 302.374 3.032 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000007340593 400101867 /nfs/dbraw/zinc/10/18/67/400101867.db2.gz OYEXZCPTXPLTBL-NEPJUHHUSA-N 1 0 316.361 3.438 20 5 DGBDRO CC(C)CC1([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595095328 400104272 /nfs/dbraw/zinc/10/42/72/400104272.db2.gz KDCSOUVULWCHJA-CYBMUJFWSA-N 1 0 319.405 3.480 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@]1(C)CC1(C)C ZINC000595102126 400106301 /nfs/dbraw/zinc/10/63/01/400106301.db2.gz KAQRGRXGZYJVFA-BZNIZROVSA-N 1 0 305.378 3.090 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@]1(C)CC1(C)C ZINC000595102128 400106343 /nfs/dbraw/zinc/10/63/43/400106343.db2.gz KAQRGRXGZYJVFA-ZBEGNZNMSA-N 1 0 305.378 3.090 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000285027346 400079264 /nfs/dbraw/zinc/07/92/64/400079264.db2.gz ZWSHDBADIJOPCY-SJORKVTESA-N 1 0 320.389 3.007 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000595033479 400084044 /nfs/dbraw/zinc/08/40/44/400084044.db2.gz MBXJLVATRPEGBC-OCCSQVGLSA-N 1 0 308.378 3.213 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCO1 ZINC000595036989 400084941 /nfs/dbraw/zinc/08/49/41/400084941.db2.gz ZCUHLYYIHWEXHP-BYCMXARLSA-N 1 0 308.378 3.212 20 5 DGBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595508194 400172592 /nfs/dbraw/zinc/17/25/92/400172592.db2.gz VFUVVKJJUWANFL-INIZCTEOSA-N 1 0 323.824 3.166 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000595510037 400173502 /nfs/dbraw/zinc/17/35/02/400173502.db2.gz JHLPXTGSQZTRCZ-UXLLHSPISA-N 1 0 322.380 3.249 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595513357 400173910 /nfs/dbraw/zinc/17/39/10/400173910.db2.gz UPAAVMXVZCKWIR-CABCVRRESA-N 1 0 308.353 3.171 20 5 DGBDRO CCC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000092629853 400188592 /nfs/dbraw/zinc/18/85/92/400188592.db2.gz LQBHOXRUDGTFBT-UHFFFAOYSA-N 1 0 321.421 3.304 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017281799 400178367 /nfs/dbraw/zinc/17/83/67/400178367.db2.gz UBIJFQFZGWHENK-LBPRGKRZSA-N 1 0 322.365 3.179 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000609595581 400179867 /nfs/dbraw/zinc/17/98/67/400179867.db2.gz QSYMFEZBUICZAS-AWEZNQCLSA-N 1 0 314.389 3.110 20 5 DGBDRO Cc1noc(CN2CCC[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595550309 400184756 /nfs/dbraw/zinc/18/47/56/400184756.db2.gz GXFDMFLOXOKDHR-SECBINFHSA-N 1 0 307.272 3.056 20 5 DGBDRO CCOc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000092612293 400185804 /nfs/dbraw/zinc/18/58/04/400185804.db2.gz HODRSFSWAUBKMD-OAHLLOKOSA-N 1 0 319.405 3.058 20 5 DGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595346470 400131897 /nfs/dbraw/zinc/13/18/97/400131897.db2.gz JJYHIXORTYOBPN-DOMZBBRYSA-N 1 0 309.385 3.039 20 5 DGBDRO Cc1ccc(OCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000609101376 400139808 /nfs/dbraw/zinc/13/98/08/400139808.db2.gz NPBYBBIQQBOEDW-UHFFFAOYSA-N 1 0 300.358 3.114 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000595422060 400144404 /nfs/dbraw/zinc/14/44/04/400144404.db2.gz NLJSCOGOFDTDQN-KGLIPLIRSA-N 1 0 322.380 3.373 20 5 DGBDRO C[C@H](c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)N1CC[NH2+]CC1 ZINC000600786141 400153496 /nfs/dbraw/zinc/15/34/96/400153496.db2.gz NSPFBTZEZVOCPU-CQSZACIVSA-N 1 0 311.385 3.228 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000318752362 400159019 /nfs/dbraw/zinc/15/90/19/400159019.db2.gz LWXXTUMGVSCWSX-CQSZACIVSA-N 1 0 305.378 3.139 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCCCC1 ZINC000015375984 400164918 /nfs/dbraw/zinc/16/49/18/400164918.db2.gz GGYUKXJRWRASJB-LLVKDONJSA-N 1 0 302.334 3.192 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ncccc1[N+](=O)[O-])c1ccco1 ZINC000067383224 400167325 /nfs/dbraw/zinc/16/73/25/400167325.db2.gz ZJODHDHOGCVDBX-CYBMUJFWSA-N 1 0 304.350 3.078 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[N@H+](C)C1CC1 ZINC000092649543 400188292 /nfs/dbraw/zinc/18/82/92/400188292.db2.gz VSNXFUKWUBUNRG-VIFPVBQESA-N 1 0 315.320 3.091 20 5 DGBDRO CCCN(CC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000588858757 400236355 /nfs/dbraw/zinc/23/63/55/400236355.db2.gz VGURTARKMQIYAW-UHFFFAOYSA-N 1 0 306.410 3.082 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595706026 400237187 /nfs/dbraw/zinc/23/71/87/400237187.db2.gz WRGKYURGEMBWAT-BXUZGUMPSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000588928710 400246996 /nfs/dbraw/zinc/24/69/96/400246996.db2.gz LDYCPNDIZBQWNR-AWEZNQCLSA-N 1 0 320.776 3.114 20 5 DGBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000609890898 400198605 /nfs/dbraw/zinc/19/86/05/400198605.db2.gz BEMZRLTUWRXULW-CYBMUJFWSA-N 1 0 314.817 3.422 20 5 DGBDRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000023898998 400214242 /nfs/dbraw/zinc/21/42/42/400214242.db2.gz YGARWIUMCOFVNF-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO COc1cccc([C@H](CNc2ccsc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000067905637 400215327 /nfs/dbraw/zinc/21/53/27/400215327.db2.gz SPNQHFITLKWVAL-AWEZNQCLSA-N 1 0 321.402 3.380 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595808260 400265475 /nfs/dbraw/zinc/26/54/75/400265475.db2.gz BQQNZVMVCOKDTE-WXHSDQCUSA-N 1 0 314.345 3.048 20 5 DGBDRO CC(C)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000589161980 400267400 /nfs/dbraw/zinc/26/74/00/400267400.db2.gz DCIMHMFSHCTWAW-ICCXJUOJSA-N 1 0 320.311 3.193 20 5 DGBDRO CC(C)CC1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000595831749 400274754 /nfs/dbraw/zinc/27/47/54/400274754.db2.gz RHISNEFJWZKLDF-UHFFFAOYSA-N 1 0 305.378 3.092 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601301311 400286490 /nfs/dbraw/zinc/28/64/90/400286490.db2.gz YAQSBEURZHGGIW-TVYUQYBPSA-N 1 0 320.311 3.337 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)C1CC1 ZINC000601306370 400287302 /nfs/dbraw/zinc/28/73/02/400287302.db2.gz HJUXVTURZIVYOV-JHJVBQTASA-N 1 0 314.307 3.456 20 5 DGBDRO CCCC[C@@H](C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589521550 400304465 /nfs/dbraw/zinc/30/44/65/400304465.db2.gz FVMHXEQPDCSNCN-GFCCVEGCSA-N 1 0 308.378 3.377 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3CCCCC3)CC2)n1 ZINC000610806800 400309179 /nfs/dbraw/zinc/30/91/79/400309179.db2.gz AWWFISLDFOGTPA-UHFFFAOYSA-N 1 0 318.421 3.001 20 5 DGBDRO COc1cc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1C ZINC000596089106 400314478 /nfs/dbraw/zinc/31/44/78/400314478.db2.gz XKGQLQRVZRAEGV-UHFFFAOYSA-N 1 0 319.405 3.198 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CC2(O)CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000596097555 400317451 /nfs/dbraw/zinc/31/74/51/400317451.db2.gz ZIQQGQUGGXMGJB-TVIZTDCDSA-N 1 0 306.406 3.495 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CC2(O)CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000596097554 400317639 /nfs/dbraw/zinc/31/76/39/400317639.db2.gz ZIQQGQUGGXMGJB-KDJCLPLCSA-N 1 0 306.406 3.495 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000030142746 400320822 /nfs/dbraw/zinc/32/08/22/400320822.db2.gz KNDAKCYJLUCJCH-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000595785562 400259045 /nfs/dbraw/zinc/25/90/45/400259045.db2.gz XXUQPTBXGUJEDL-CHWSQXEVSA-N 1 0 320.389 3.472 20 5 DGBDRO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000026729788 400261963 /nfs/dbraw/zinc/26/19/63/400261963.db2.gz RJMBRRSSYUVLIQ-CQSZACIVSA-N 1 0 311.385 3.454 20 5 DGBDRO CCC[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000611335650 400379485 /nfs/dbraw/zinc/37/94/85/400379485.db2.gz GEWZXBCVHGWWCO-MRXNPFEDSA-N 1 0 319.405 3.084 20 5 DGBDRO CN(CCC[NH+](C)C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000035246503 400387538 /nfs/dbraw/zinc/38/75/38/400387538.db2.gz LASUFHIWXJELNG-UHFFFAOYSA-N 1 0 305.300 3.002 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOCC23CCCC3)cc1 ZINC000611194911 400358474 /nfs/dbraw/zinc/35/84/74/400358474.db2.gz UHFGNEFTRQULSF-UHFFFAOYSA-N 1 0 320.389 3.009 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1OC[C@H]1CCCC[N@@H+]1C(C)C ZINC000596254894 400362558 /nfs/dbraw/zinc/36/25/58/400362558.db2.gz UCHIQTBTCCRWLO-CQSZACIVSA-N 1 0 308.378 3.245 20 5 DGBDRO CCOC(=O)CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC1CC1 ZINC000611265139 400368369 /nfs/dbraw/zinc/36/83/69/400368369.db2.gz BHXSWGRSAPQFKM-UHFFFAOYSA-N 1 0 320.389 3.068 20 5 DGBDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590192584 400368361 /nfs/dbraw/zinc/36/83/61/400368361.db2.gz PAUBEUCXXIJTQY-OAHLLOKOSA-N 1 0 312.797 3.279 20 5 DGBDRO CC(C)C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271423 400371710 /nfs/dbraw/zinc/37/17/10/400371710.db2.gz BAXNIUYKKHOIMY-CYBMUJFWSA-N 1 0 320.389 3.234 20 5 DGBDRO CCOc1cccc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596309441 400376786 /nfs/dbraw/zinc/37/67/86/400376786.db2.gz RWQJDSLTEMDBNN-LBPRGKRZSA-N 1 0 307.394 3.278 20 5 DGBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000596431863 400413433 /nfs/dbraw/zinc/41/34/33/400413433.db2.gz OAJIQDBKMGZQTF-SECBINFHSA-N 1 0 316.199 3.109 20 5 DGBDRO CC(C)([NH2+]Cc1ccc(CO)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000611517005 400413590 /nfs/dbraw/zinc/41/35/90/400413590.db2.gz XIKXTEZSQOMOBO-UHFFFAOYSA-N 1 0 300.358 3.112 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000590687382 400416016 /nfs/dbraw/zinc/41/60/16/400416016.db2.gz NZENSWZLADIETN-CYBMUJFWSA-N 1 0 314.389 3.110 20 5 DGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072698159 400398418 /nfs/dbraw/zinc/39/84/18/400398418.db2.gz HIALTNODXMIOSE-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072697555 400398680 /nfs/dbraw/zinc/39/86/80/400398680.db2.gz OEOUOTHYDWMEEK-AAEUAGOBSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c(C[NH+](C)C)c1 ZINC000072840063 400408098 /nfs/dbraw/zinc/40/80/98/400408098.db2.gz JHFGRBLWRAGSRM-UHFFFAOYSA-N 1 0 319.386 3.279 20 5 DGBDRO CC[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000590648000 400408313 /nfs/dbraw/zinc/40/83/13/400408313.db2.gz AXQQXGSLFUXEBK-KGLIPLIRSA-N 1 0 312.797 3.338 20 5 DGBDRO CC[C@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000590646542 400408845 /nfs/dbraw/zinc/40/88/45/400408845.db2.gz MGLDHTAWAMFCNY-RDJZCZTQSA-N 1 0 306.406 3.465 20 5 DGBDRO COc1ccc(C[NH+]2CCc3ccccc3CC2)cc1[N+](=O)[O-] ZINC000116300635 400408819 /nfs/dbraw/zinc/40/88/19/400408819.db2.gz VWRCDPBJYYHJJR-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO CCC[N@@H+]1CC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000596518549 400436614 /nfs/dbraw/zinc/43/66/14/400436614.db2.gz WJJPOBAJPQWZBC-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO COc1cccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570029 400446638 /nfs/dbraw/zinc/44/66/38/400446638.db2.gz HEKRDQSKDGWFDV-CQSZACIVSA-N 1 0 319.405 3.137 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570055 400446661 /nfs/dbraw/zinc/44/66/61/400446661.db2.gz IGRVHMCAJKWRPX-CYBMUJFWSA-N 1 0 307.369 3.268 20 5 DGBDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602578163 400503130 /nfs/dbraw/zinc/50/31/30/400503130.db2.gz KCZDYAFDUQBDLZ-SNVBAGLBSA-N 1 0 320.311 3.112 20 5 DGBDRO CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)Cc2ccccc2C1 ZINC000602582434 400503889 /nfs/dbraw/zinc/50/38/89/400503889.db2.gz PHHXUEAVEZXBJK-UHFFFAOYSA-N 1 0 323.352 3.383 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000074318894 400504095 /nfs/dbraw/zinc/50/40/95/400504095.db2.gz HMMFADFENZLNMN-UHFFFAOYSA-N 1 0 312.369 3.390 20 5 DGBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000612194060 400506481 /nfs/dbraw/zinc/50/64/81/400506481.db2.gz SFLYPHFYLUKXKS-MRXNPFEDSA-N 1 0 312.369 3.251 20 5 DGBDRO COc1ccc(OCCOc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])c1 ZINC000128130035 400510716 /nfs/dbraw/zinc/51/07/16/400510716.db2.gz IRQKCMKUYFIKSU-UHFFFAOYSA-N 1 0 318.329 3.073 20 5 DGBDRO Cc1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])sn1 ZINC000602606782 400511096 /nfs/dbraw/zinc/51/10/96/400511096.db2.gz XHMDZZIWTLMVSS-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000602484463 400476103 /nfs/dbraw/zinc/47/61/03/400476103.db2.gz NAOZFAUKAUZYOC-SNVBAGLBSA-N 1 0 318.295 3.082 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061957 400480755 /nfs/dbraw/zinc/48/07/55/400480755.db2.gz PNPAEDPKKVXMBS-GXTWGEPZSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602516333 400485864 /nfs/dbraw/zinc/48/58/64/400485864.db2.gz ZCNWELZQVGAGBO-RQJHMYQMSA-N 1 0 305.197 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3C[C@H]3Cc3ccccc3)nc2c1 ZINC000602544914 400493401 /nfs/dbraw/zinc/49/34/01/400493401.db2.gz BYZAWFXGORXMSG-UKRRQHHQSA-N 1 0 323.352 3.457 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCSC2)cc1Br ZINC000602560996 400496160 /nfs/dbraw/zinc/49/61/60/400496160.db2.gz BSAVUTSQQIKAGL-LURJTMIESA-N 1 0 323.237 3.014 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2N)cc1[N+](=O)[O-] ZINC000602562916 400497053 /nfs/dbraw/zinc/49/70/53/400497053.db2.gz KGVLRDUUOWSPLD-LLVKDONJSA-N 1 0 303.337 3.475 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000602563525 400497654 /nfs/dbraw/zinc/49/76/54/400497654.db2.gz XWPHPAFQHUQIOF-ZDUSSCGKSA-N 1 0 320.311 3.374 20 5 DGBDRO COC(=O)c1csc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000602636439 400520322 /nfs/dbraw/zinc/52/03/22/400520322.db2.gz YBSKSKIHAQDUGE-UHFFFAOYSA-N 1 0 320.370 3.041 20 5 DGBDRO Cc1cc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000074750235 400532523 /nfs/dbraw/zinc/53/25/23/400532523.db2.gz AQBZMFVGHXHKHN-CQSZACIVSA-N 1 0 314.389 3.231 20 5 DGBDRO Cc1cc(Nc2ccc(CC[NH+](C)C)cc2)ncc1[N+](=O)[O-] ZINC000074749606 400532943 /nfs/dbraw/zinc/53/29/43/400532943.db2.gz LDIFIXGWTMEFEP-UHFFFAOYSA-N 1 0 300.362 3.146 20 5 DGBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000602801154 400579098 /nfs/dbraw/zinc/57/90/98/400579098.db2.gz LGHPRLHFAFZYLX-CQSZACIVSA-N 1 0 322.796 3.494 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000612402093 400540279 /nfs/dbraw/zinc/54/02/79/400540279.db2.gz HURXBFFMFSYDEL-MAVJXHJTSA-N 1 0 316.401 3.357 20 5 DGBDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000602690939 400540876 /nfs/dbraw/zinc/54/08/76/400540876.db2.gz SIDZEOCKMTUFAT-JOYOIKCWSA-N 1 0 318.295 3.271 20 5 DGBDRO Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000130616035 400541469 /nfs/dbraw/zinc/54/14/69/400541469.db2.gz YBOOBJHFVITHGX-HNNXBMFYSA-N 1 0 318.352 3.411 20 5 DGBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000602807570 400580613 /nfs/dbraw/zinc/58/06/13/400580613.db2.gz WGMKILFFCMRCEY-AWEZNQCLSA-N 1 0 324.331 3.119 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000602758003 400565045 /nfs/dbraw/zinc/56/50/45/400565045.db2.gz DOIGHNUDTVXCOU-SNVBAGLBSA-N 1 0 324.331 3.071 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000602765349 400567645 /nfs/dbraw/zinc/56/76/45/400567645.db2.gz JITJDFOSRXDGPW-LLVKDONJSA-N 1 0 322.796 3.446 20 5 DGBDRO C[N@H+](CCC(C)(C)C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000592144217 400612986 /nfs/dbraw/zinc/61/29/86/400612986.db2.gz DNCGSYAHBMQXAH-UHFFFAOYSA-N 1 0 308.378 3.329 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000592166694 400617057 /nfs/dbraw/zinc/61/70/57/400617057.db2.gz IKSFEEKSQYXUKY-QZKOUSHUSA-N 1 0 310.419 3.154 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CCO)c1ccccc1 ZINC000075897549 400618869 /nfs/dbraw/zinc/61/88/69/400618869.db2.gz PBHFGZVOJYTEDH-QGZVFWFLSA-N 1 0 300.358 3.150 20 5 DGBDRO COCC1(C2CCC2)C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597191998 400582319 /nfs/dbraw/zinc/58/23/19/400582319.db2.gz NZAUSYPDNJNDSU-FNORWQNLSA-N 1 0 316.401 3.357 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ccsc2)CC1 ZINC000602820551 400584526 /nfs/dbraw/zinc/58/45/26/400584526.db2.gz UYKJYNLKVVWWRA-UHFFFAOYSA-N 1 0 320.418 3.041 20 5 DGBDRO Cn1nc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000612692123 400587356 /nfs/dbraw/zinc/58/73/56/400587356.db2.gz YICGGDDYZBQQOK-VURMDHGXSA-N 1 0 322.368 3.285 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597204336 400587480 /nfs/dbraw/zinc/58/74/80/400587480.db2.gz HSIGVHUJZSWQHJ-GOSISDBHSA-N 1 0 318.417 3.455 20 5 DGBDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000597236114 400595527 /nfs/dbraw/zinc/59/55/27/400595527.db2.gz NXYJNEDOCJYYJY-WBVHZDCISA-N 1 0 320.389 3.115 20 5 DGBDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000597242826 400598527 /nfs/dbraw/zinc/59/85/27/400598527.db2.gz WVOVTOVXHAAKRI-WBVHZDCISA-N 1 0 320.389 3.115 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000597254386 400600524 /nfs/dbraw/zinc/60/05/24/400600524.db2.gz BXGPSHHKSOMVIZ-ABAIWWIYSA-N 1 0 314.332 3.148 20 5 DGBDRO CC[C@@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000602923893 400609495 /nfs/dbraw/zinc/60/94/95/400609495.db2.gz KVABTQBYTQDZPY-MRXNPFEDSA-N 1 0 320.368 3.154 20 5 DGBDRO CC(C)[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CCC1 ZINC000618618004 400644520 /nfs/dbraw/zinc/64/45/20/400644520.db2.gz ASWUHNBTBXTJSQ-UHFFFAOYSA-N 1 0 320.389 3.377 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cc1ccsc1 ZINC000049182310 400664437 /nfs/dbraw/zinc/66/44/37/400664437.db2.gz GXZJSIGDPFKYAI-LLVKDONJSA-N 1 0 306.387 3.386 20 5 DGBDRO CC[N@H+](CCSC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592530093 400666005 /nfs/dbraw/zinc/66/60/05/400666005.db2.gz WLAHXAUUTLKAFZ-UHFFFAOYSA-N 1 0 320.361 3.381 20 5 DGBDRO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000151881456 400676474 /nfs/dbraw/zinc/67/64/74/400676474.db2.gz HBFQPDGXSWPKGT-JKSUJKDBSA-N 1 0 319.449 3.380 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2CCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000603407227 400683310 /nfs/dbraw/zinc/68/33/10/400683310.db2.gz RCFKENZXAVCKBH-TZMCWYRMSA-N 1 0 305.378 3.082 20 5 DGBDRO CSc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000603421818 400684963 /nfs/dbraw/zinc/68/49/63/400684963.db2.gz DRKUCPCFIQJUEN-UHFFFAOYSA-N 1 0 308.359 3.078 20 5 DGBDRO Cc1nccc([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834423 400720495 /nfs/dbraw/zinc/72/04/95/400720495.db2.gz SYIJMIZKWWDKAB-AWEZNQCLSA-N 1 0 312.373 3.073 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000603864382 400726423 /nfs/dbraw/zinc/72/64/23/400726423.db2.gz BQZHRZKXFTYMEH-IAGOWNOFSA-N 1 0 323.396 3.163 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000077656416 400734750 /nfs/dbraw/zinc/73/47/50/400734750.db2.gz ZYDFJEHRDDVGQT-QGZVFWFLSA-N 1 0 322.405 3.024 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000618984959 400739217 /nfs/dbraw/zinc/73/92/17/400739217.db2.gz OHNGSCLXQMEQEH-AHIWAGSCSA-N 1 0 318.417 3.458 20 5 DGBDRO Cc1c(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613389787 400708382 /nfs/dbraw/zinc/70/83/82/400708382.db2.gz QXORUUQQIAXRGB-DYVFJYSZSA-N 1 0 314.385 3.157 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000077467283 400718004 /nfs/dbraw/zinc/71/80/04/400718004.db2.gz LCEAQQIAHVOFMQ-MRXNPFEDSA-N 1 0 300.358 3.198 20 5 DGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000078506854 400805997 /nfs/dbraw/zinc/80/59/97/400805997.db2.gz HAHZHNPUAOZXLP-CQSZACIVSA-N 1 0 317.414 3.367 20 5 DGBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000078559571 400808892 /nfs/dbraw/zinc/80/88/92/400808892.db2.gz ZOGXJWAGLGPXOA-GFCCVEGCSA-N 1 0 311.813 3.416 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000078625064 400815308 /nfs/dbraw/zinc/81/53/08/400815308.db2.gz JGTCOGSHGKCRGZ-UBHSHLNASA-N 1 0 319.405 3.399 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2ncc(C)cc2[N+](=O)[O-])c1 ZINC000078653747 400816477 /nfs/dbraw/zinc/81/64/77/400816477.db2.gz LMGXBVKYZWMZBF-UHFFFAOYSA-N 1 0 314.389 3.362 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+]C3(C4CCC4)CC3)n2)c1 ZINC000593082097 400757327 /nfs/dbraw/zinc/75/73/27/400757327.db2.gz GIRUQMSCDGFJKO-UHFFFAOYSA-N 1 0 314.345 3.067 20 5 DGBDRO CC(C)([NH2+]Cc1cnc2ccccn12)c1ccc([N+](=O)[O-])cc1 ZINC000175984667 400869605 /nfs/dbraw/zinc/86/96/05/400869605.db2.gz CRHDGYWJVAGNBU-UHFFFAOYSA-N 1 0 310.357 3.267 20 5 DGBDRO CC(C)O[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000593660331 400888024 /nfs/dbraw/zinc/88/80/24/400888024.db2.gz PCTOEERZAVGYLV-SBSDFTTDSA-N 1 0 304.390 3.497 20 5 DGBDRO Cc1c(CN2CCC[N@@H+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000172579408 400832870 /nfs/dbraw/zinc/83/28/70/400832870.db2.gz HRBJUOUPCJTHFI-UHFFFAOYSA-N 1 0 317.433 3.354 20 5 DGBDRO Cc1cc(NCC[C@H]2CC2(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000598639268 400848219 /nfs/dbraw/zinc/84/82/19/400848219.db2.gz QHHITZBFLHQXSD-JTQLQIEISA-N 1 0 307.300 3.331 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000619480621 400854699 /nfs/dbraw/zinc/85/46/99/400854699.db2.gz FBUAOBLRWCALQK-CQSZACIVSA-N 1 0 317.389 3.084 20 5 DGBDRO CC(C)OCCCN(C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599047093 400938161 /nfs/dbraw/zinc/93/81/61/400938161.db2.gz OVKXYVYDYUBECB-UHFFFAOYSA-N 1 0 303.362 3.394 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)CCC(C)C ZINC000599067526 400948768 /nfs/dbraw/zinc/94/87/68/400948768.db2.gz FKUJNFGCFBFFFV-OLZOCXBDSA-N 1 0 310.394 3.051 20 5 DGBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCO[C@@H](C2CCC2)C1 ZINC000599086206 400955375 /nfs/dbraw/zinc/95/53/75/400955375.db2.gz KIZDFCHMDYOJBI-MRXNPFEDSA-N 1 0 313.357 3.148 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000593677231 400890130 /nfs/dbraw/zinc/89/01/30/400890130.db2.gz VMWNSMSTDYVVSM-IPJDOKCGSA-N 1 0 318.417 3.339 20 5 DGBDRO O=C(CC[NH2+]CCC1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000619705893 400891985 /nfs/dbraw/zinc/89/19/85/400891985.db2.gz VSLHIUBOISKFHF-UHFFFAOYSA-N 1 0 319.405 3.483 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000079927325 400907131 /nfs/dbraw/zinc/90/71/31/400907131.db2.gz NAZOEXXGGSOCNE-OKILXGFUSA-N 1 0 306.410 3.160 20 5 DGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1[N+](=O)[O-] ZINC000594026376 400953012 /nfs/dbraw/zinc/95/30/12/400953012.db2.gz KFFQQNOOYUCRCT-OAHLLOKOSA-N 1 0 320.389 3.137 20 5 DGBDRO COc1cccc([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)OC)c1 ZINC000598987937 400921686 /nfs/dbraw/zinc/92/16/86/400921686.db2.gz MQMFBVRACDPRIU-QGZVFWFLSA-N 1 0 316.357 3.081 20 5 DGBDRO CC1(C)CCC[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598994930 400923246 /nfs/dbraw/zinc/92/32/46/400923246.db2.gz KHBMZYQKYVLYDJ-MRXNPFEDSA-N 1 0 310.369 3.155 20 5 DGBDRO C[N@@H+]1CCCC[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598993390 400923448 /nfs/dbraw/zinc/92/34/48/400923448.db2.gz AWLMXQMWTAMXNV-GFCCVEGCSA-N 1 0 311.813 3.070 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599017485 400927405 /nfs/dbraw/zinc/92/74/05/400927405.db2.gz XTCUGSPRIBKGAJ-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DGBDRO COc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000599019542 400928479 /nfs/dbraw/zinc/92/84/79/400928479.db2.gz GPSHNHMAPWKESB-QGZVFWFLSA-N 1 0 313.357 3.239 20 5 DGBDRO CCC[C@H]([NH2+]Cc1ccc[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000599082897 400953971 /nfs/dbraw/zinc/95/39/71/400953971.db2.gz DXYIACRFGJLXNA-HNNXBMFYSA-N 1 0 301.346 3.326 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000599032626 400933408 /nfs/dbraw/zinc/93/34/08/400933408.db2.gz UTYPWFGKCFEDKY-RHSMWYFYSA-N 1 0 306.406 3.465 20 5 DGBDRO COc1cc(NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599165219 400982732 /nfs/dbraw/zinc/98/27/32/400982732.db2.gz NWMYFJXKKRWYSH-AWEZNQCLSA-N 1 0 305.378 3.032 20 5 DGBDRO CCOc1cc(NC[C@@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000080763322 400987634 /nfs/dbraw/zinc/98/76/34/400987634.db2.gz LETXQORXLABNHM-AWEZNQCLSA-N 1 0 319.361 3.301 20 5 DGBDRO CCC(CC)[NH2+]CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000599096960 400958977 /nfs/dbraw/zinc/95/89/77/400958977.db2.gz COSKUZJHLRPTOC-UHFFFAOYSA-N 1 0 320.315 3.199 20 5 DGBDRO O=C(CC[N@@H+]1CCCC2(CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599673253 401107692 /nfs/dbraw/zinc/10/76/92/401107692.db2.gz MXNVUCRPQUBKCL-UHFFFAOYSA-N 1 0 317.389 3.190 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCCC[C@@]21C ZINC000599676073 401110404 /nfs/dbraw/zinc/11/04/04/401110404.db2.gz XQOKCPSKWVNSCX-GUYCJALGSA-N 1 0 317.389 3.106 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000594612427 401134152 /nfs/dbraw/zinc/13/41/52/401134152.db2.gz KFFAMLQVMWRAEG-VQHVLOKHSA-N 1 0 317.433 3.414 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000615724217 401143467 /nfs/dbraw/zinc/14/34/67/401143467.db2.gz WPKAIMXUDWBJEF-CRPZLVSXSA-N 1 0 315.417 3.072 20 5 DGBDRO CC(=O)c1ccc(NCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000060991753 401143992 /nfs/dbraw/zinc/14/39/92/401143992.db2.gz CVPDXMBRVZKGPF-ZDUSSCGKSA-N 1 0 319.405 3.474 20 5 DGBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH+](C1CC1)C1CC1 ZINC000599599589 401089092 /nfs/dbraw/zinc/08/90/92/401089092.db2.gz MLZNBXLSCFUQCT-UHFFFAOYSA-N 1 0 311.179 3.484 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000594514345 401090883 /nfs/dbraw/zinc/09/08/83/401090883.db2.gz OAWAMCWHJBSHLI-NEPJUHHUSA-N 1 0 308.378 3.223 20 5 DGBDRO CC(=O)c1ccc(NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000059402328 401092459 /nfs/dbraw/zinc/09/24/59/401092459.db2.gz HJGZBPWLLCDYRC-ZDUSSCGKSA-N 1 0 319.405 3.331 20 5 DGBDRO C[C@H]1CC(F)(F)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000599622537 401094313 /nfs/dbraw/zinc/09/43/13/401094313.db2.gz JXUCPJXOKZXQOL-LBPRGKRZSA-N 1 0 314.332 3.483 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594518579 401095633 /nfs/dbraw/zinc/09/56/33/401095633.db2.gz IEWLWTTXXBDXMP-HOTGVXAUSA-N 1 0 323.824 3.355 20 5 DGBDRO C[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594519975 401098264 /nfs/dbraw/zinc/09/82/64/401098264.db2.gz VILCJPYAUXYOBI-XOVSCCBYSA-N 1 0 320.389 3.175 20 5 DGBDRO CC[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[NH+]1CCCC1 ZINC000595006670 401226479 /nfs/dbraw/zinc/22/64/79/401226479.db2.gz HYRVKTOHNQNGPR-UONOGXRCSA-N 1 0 321.421 3.128 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000594955922 401207488 /nfs/dbraw/zinc/20/74/88/401207488.db2.gz HJPULEPYGSVIEK-DNXIFWLFSA-N 1 0 317.433 3.461 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(CO)CC1 ZINC000594969946 401214090 /nfs/dbraw/zinc/21/40/90/401214090.db2.gz UXAFOTFOGGLLEK-GFCCVEGCSA-N 1 0 316.357 3.105 20 5 DGBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC1(C)COC1 ZINC000600189990 401216297 /nfs/dbraw/zinc/21/62/97/401216297.db2.gz JCVYMCMQWMYBCI-UHFFFAOYSA-N 1 0 316.357 3.323 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1([NH+](C)C)CCCC1 ZINC000595003305 401225977 /nfs/dbraw/zinc/22/59/77/401225977.db2.gz GQXNPBNRLPVLMS-ZDUSSCGKSA-N 1 0 321.421 3.128 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1 ZINC000090654393 401271357 /nfs/dbraw/zinc/27/13/57/401271357.db2.gz OXNFMJLHFOEBBQ-PMUMKWKESA-N 1 0 314.385 3.238 20 5 DGBDRO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000090795826 401273952 /nfs/dbraw/zinc/27/39/52/401273952.db2.gz XOUMMASRTUQLBJ-FZKQIMNGSA-N 1 0 312.369 3.079 20 5 DGBDRO CCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CCOCC1 ZINC000595010677 401229157 /nfs/dbraw/zinc/22/91/57/401229157.db2.gz DGIGLGFBPGGYFW-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)C[NH+]1CCCCC1 ZINC000595008963 401229395 /nfs/dbraw/zinc/22/93/95/401229395.db2.gz WTPQWMILVKVRIT-UONOGXRCSA-N 1 0 321.421 3.128 20 5 DGBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000064114097 401230090 /nfs/dbraw/zinc/23/00/90/401230090.db2.gz WEAMBLDVJGNLAW-OAHLLOKOSA-N 1 0 300.362 3.013 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](CCO)CC(C)C ZINC000595011036 401231104 /nfs/dbraw/zinc/23/11/04/401231104.db2.gz GLSBUWXQYFZUKG-UONOGXRCSA-N 1 0 324.421 3.299 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000595016460 401233175 /nfs/dbraw/zinc/23/31/75/401233175.db2.gz KQEDZSZMOPVLAZ-VXGBXAGGSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOC1CCCC1 ZINC000595016681 401233211 /nfs/dbraw/zinc/23/32/11/401233211.db2.gz RLGCONRTOCKEAX-LBPRGKRZSA-N 1 0 308.378 3.213 20 5 DGBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000358576115 286097613 /nfs/dbraw/zinc/09/76/13/286097613.db2.gz GFXQPIJKJNOHDR-UHFFFAOYSA-N 1 0 320.414 3.347 20 5 DGBDRO CCC(=O)c1ccc(NCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000358945952 286194545 /nfs/dbraw/zinc/19/45/45/286194545.db2.gz HALPDKKONIDEPP-ZDUSSCGKSA-N 1 0 319.405 3.331 20 5 DGBDRO C[NH+](C)CC1(Nc2nc3ccccc3cc2[N+](=O)[O-])CCC1 ZINC000359290861 286276685 /nfs/dbraw/zinc/27/66/85/286276685.db2.gz CJZOUACNBADCAH-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO CCC(=O)c1ccc(NC[C@@H]2CCC[N@H+]2CC)c([N+](=O)[O-])c1 ZINC000359374149 286295484 /nfs/dbraw/zinc/29/54/84/286295484.db2.gz WKCXFTUNEBGALM-ZDUSSCGKSA-N 1 0 305.378 3.084 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000359591438 286342979 /nfs/dbraw/zinc/34/29/79/286342979.db2.gz LOHVEGYDZSRSHY-CQSZACIVSA-N 1 0 323.441 3.042 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000359591436 286342991 /nfs/dbraw/zinc/34/29/91/286342991.db2.gz LOHVEGYDZSRSHY-AWEZNQCLSA-N 1 0 323.441 3.042 20 5 DGBDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000190794105 165216689 /nfs/dbraw/zinc/21/66/89/165216689.db2.gz BOMFUSKSSLGVDF-ZDUSSCGKSA-N 1 0 314.389 3.297 20 5 DGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000191467620 165253161 /nfs/dbraw/zinc/25/31/61/165253161.db2.gz QZYPCURAJMSUDX-GOSISDBHSA-N 1 0 314.385 3.284 20 5 DGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000191467604 165253405 /nfs/dbraw/zinc/25/34/05/165253405.db2.gz QZYPCURAJMSUDX-SFHVURJKSA-N 1 0 314.385 3.284 20 5 DGBDRO CC(C)COCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230141273 165392250 /nfs/dbraw/zinc/39/22/50/165392250.db2.gz YIIHGWMBLURDGF-UHFFFAOYSA-N 1 0 300.786 3.401 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000255076480 165706734 /nfs/dbraw/zinc/70/67/34/165706734.db2.gz ARQCFXORQINSLT-NVAPOSRTSA-N 1 0 324.380 3.200 20 5 DGBDRO [NH3+]C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C1CCCCC1 ZINC000261663526 165730988 /nfs/dbraw/zinc/73/09/88/165730988.db2.gz GIZDDFZHUVBJRD-MRXNPFEDSA-N 1 0 314.389 3.463 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266534344 287152590 /nfs/dbraw/zinc/15/25/90/287152590.db2.gz NGAKHMFSJFXASB-GJZGRUSLSA-N 1 0 303.406 3.074 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182202412 432164230 /nfs/dbraw/zinc/16/42/30/432164230.db2.gz LQBSQMJITAFEPV-AWEZNQCLSA-N 1 0 311.813 3.164 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000182236999 432170313 /nfs/dbraw/zinc/17/03/13/432170313.db2.gz UBIQHOLNJAJIGU-BBRMVZONSA-N 1 0 323.824 3.164 20 5 DGBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CO)C(C)(C)C ZINC000269653422 432193176 /nfs/dbraw/zinc/19/31/76/432193176.db2.gz MRPOGYRZZNEFRZ-CYBMUJFWSA-N 1 0 300.786 3.087 20 5 DGBDRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129885759 196083348 /nfs/dbraw/zinc/08/33/48/196083348.db2.gz CMVAEYPBVZJNSU-MNOVXSKESA-N 1 0 311.357 3.087 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc3c2OCO3)cccc1[N+](=O)[O-] ZINC000130860367 196115837 /nfs/dbraw/zinc/11/58/37/196115837.db2.gz IKFXKOYFFLUJHY-GFCCVEGCSA-N 1 0 314.341 3.483 20 5 DGBDRO CCN(CCC[NH+](CC)CC)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000190977330 432206572 /nfs/dbraw/zinc/20/65/72/432206572.db2.gz QYSFWWPUJWKBGM-UHFFFAOYSA-N 1 0 322.409 3.181 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000247416626 432228332 /nfs/dbraw/zinc/22/83/32/432228332.db2.gz DDPWYODPGUHJKP-DGCLKSJQSA-N 1 0 307.394 3.208 20 5 DGBDRO CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000131903132 196209221 /nfs/dbraw/zinc/20/92/21/196209221.db2.gz ITSBDBPJAFETJR-LBPRGKRZSA-N 1 0 323.393 3.052 20 5 DGBDRO Cc1ncsc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000132346319 196247966 /nfs/dbraw/zinc/24/79/66/196247966.db2.gz NJLUVNZIXDGTFL-CQSZACIVSA-N 1 0 317.414 3.471 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000132394765 196253031 /nfs/dbraw/zinc/25/30/31/196253031.db2.gz SEVSOPMGIQMGPI-OAHLLOKOSA-N 1 0 305.422 3.286 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000132550540 196264849 /nfs/dbraw/zinc/26/48/49/196264849.db2.gz YRLQBDQDNGNOEU-DGCLKSJQSA-N 1 0 312.460 3.402 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2ccsc2C1 ZINC000132976000 196301461 /nfs/dbraw/zinc/30/14/61/196301461.db2.gz RHMIIZOTZJCCPA-UHFFFAOYSA-N 1 0 304.371 3.093 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000133261516 196325679 /nfs/dbraw/zinc/32/56/79/196325679.db2.gz UUMFGBNNCAKHHO-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)O1 ZINC000296683392 226118490 /nfs/dbraw/zinc/11/84/90/226118490.db2.gz HAMFHCTWKMKCIY-VYUIOLGVSA-N 1 0 318.295 3.269 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2c[nH]c3nccnc23)cc1[N+](=O)[O-] ZINC000290958901 222030019 /nfs/dbraw/zinc/03/00/19/222030019.db2.gz VZLBFMLUSOTEPM-LLVKDONJSA-N 1 0 311.345 3.025 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2c[nH]c3nccnc23)cc1[N+](=O)[O-] ZINC000290958907 222030406 /nfs/dbraw/zinc/03/04/06/222030406.db2.gz VZLBFMLUSOTEPM-NSHDSACASA-N 1 0 311.345 3.025 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC000177244601 228327507 /nfs/dbraw/zinc/32/75/07/228327507.db2.gz SELIYYTXZWHHJW-GFCCVEGCSA-N 1 0 308.378 3.103 20 5 DGBDRO COc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000184232355 228381765 /nfs/dbraw/zinc/38/17/65/228381765.db2.gz AISVKTRHCURYNL-TXEJJXNPSA-N 1 0 308.353 3.365 20 5 DGBDRO C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)C[NH+](C)C ZINC000341254042 229096689 /nfs/dbraw/zinc/09/66/89/229096689.db2.gz DWIGEVBFHPXRFR-AWEZNQCLSA-N 1 0 321.424 3.316 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000301201367 229558599 /nfs/dbraw/zinc/55/85/99/229558599.db2.gz QIQSKNKEXCGWHI-KBPBESRZSA-N 1 0 320.437 3.468 20 5 DGBDRO Cc1cc(N2CCC(CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000301913647 229978571 /nfs/dbraw/zinc/97/85/71/229978571.db2.gz HTAFVNDLMJFGKT-UHFFFAOYSA-N 1 0 305.422 3.461 20 5 DGBDRO Cc1cc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000302065250 230074668 /nfs/dbraw/zinc/07/46/68/230074668.db2.gz VUUIKRXNUJFTBE-ZIAGYGMSSA-N 1 0 318.421 3.363 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2c1 ZINC000413067687 230124990 /nfs/dbraw/zinc/12/49/90/230124990.db2.gz WWSMSLOFSCXFMB-HZPDHXFCSA-N 1 0 312.373 3.182 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H]1CCO ZINC000250111598 263869512 /nfs/dbraw/zinc/86/95/12/263869512.db2.gz SZWOHWWKVIVJMQ-YCPHGPKFSA-N 1 0 306.406 3.057 20 5 DGBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000250104738 263869593 /nfs/dbraw/zinc/86/95/93/263869593.db2.gz RXDQWTWBLGACGJ-ZFZWDLNGSA-N 1 0 318.417 3.055 20 5 DGBDRO COc1cc(C[N@H+](C)C[C@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000346338561 264013910 /nfs/dbraw/zinc/01/39/10/264013910.db2.gz VCHXMKYEBDSFEI-ZDUSSCGKSA-N 1 0 320.389 3.400 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346977380 264132272 /nfs/dbraw/zinc/13/22/72/264132272.db2.gz TUJFCAWJGGATPY-KRWDZBQOSA-N 1 0 313.357 3.206 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C)[NH2+]1 ZINC000347063178 264149494 /nfs/dbraw/zinc/14/94/94/264149494.db2.gz IWDCDYQNPAYMMF-CHWSQXEVSA-N 1 0 315.373 3.037 20 5 DGBDRO CCN(CC[NH+]1CCCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000347288451 264190882 /nfs/dbraw/zinc/19/08/82/264190882.db2.gz KDEQFJPEVWMSJD-UHFFFAOYSA-N 1 0 305.422 3.293 20 5 DGBDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000347356860 264205348 /nfs/dbraw/zinc/20/53/48/264205348.db2.gz XNXJVVNVKBURBL-KRWDZBQOSA-N 1 0 314.385 3.368 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC[C@H]1CCCO1 ZINC000347376599 264210377 /nfs/dbraw/zinc/21/03/77/264210377.db2.gz OJHYWMXRQCUUOQ-GWKQRERASA-N 1 0 304.390 3.499 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000347690319 264267885 /nfs/dbraw/zinc/26/78/85/264267885.db2.gz YHYXNHIVOUXULD-HNNXBMFYSA-N 1 0 314.389 3.132 20 5 DGBDRO Cc1ccc(CNc2c[nH+]ccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000348146307 264352246 /nfs/dbraw/zinc/35/22/46/264352246.db2.gz USGKXYFUEPBJCK-UHFFFAOYSA-N 1 0 309.329 3.096 20 5 DGBDRO CC(C)SCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000348330807 264391690 /nfs/dbraw/zinc/39/16/90/264391690.db2.gz IBACXWVHLQJQJP-QWHCGFSZSA-N 1 0 312.439 3.006 20 5 DGBDRO C/C=C\C[C@H](CO)[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000349357151 264514228 /nfs/dbraw/zinc/51/42/28/264514228.db2.gz TUSYMFLYYWKKQB-BDSSXFGHSA-N 1 0 324.446 3.382 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1C ZINC000352349732 265010034 /nfs/dbraw/zinc/01/00/34/265010034.db2.gz HBESUXRNUPOHND-STQMWFEESA-N 1 0 314.389 3.062 20 5 DGBDRO CC[N@H+](CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000352576337 265094153 /nfs/dbraw/zinc/09/41/53/265094153.db2.gz NWHSJYPAEWNLAM-UHFFFAOYSA-N 1 0 321.421 3.178 20 5 DGBDRO CC[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OC ZINC000353154379 265320994 /nfs/dbraw/zinc/32/09/94/265320994.db2.gz OJHSGPMTUWLYTO-CQSZACIVSA-N 1 0 304.346 3.369 20 5 DGBDRO CCC(CC)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353504800 265448545 /nfs/dbraw/zinc/44/85/45/265448545.db2.gz UAAJOPAYSAALLM-INIZCTEOSA-N 1 0 316.405 3.444 20 5 DGBDRO CCn1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000353946508 265607242 /nfs/dbraw/zinc/60/72/42/265607242.db2.gz HHWQYOMCKKSSDP-MRXNPFEDSA-N 1 0 314.389 3.323 20 5 DGBDRO Cc1cc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)on1 ZINC000353986267 265620952 /nfs/dbraw/zinc/62/09/52/265620952.db2.gz IBWPZUSUCRNDEV-MRXNPFEDSA-N 1 0 301.346 3.101 20 5 DGBDRO CCOC(=O)CC(C)(C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000355363556 266051627 /nfs/dbraw/zinc/05/16/27/266051627.db2.gz IUVIDNIRDRVLNL-CSKARUKUSA-N 1 0 320.389 3.272 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CCN2CC=CCC2)cc1[N+](=O)[O-] ZINC000355488649 266090669 /nfs/dbraw/zinc/09/06/69/266090669.db2.gz VWCZTYHAWAHAJZ-UHFFFAOYSA-N 1 0 303.406 3.070 20 5 DGBDRO CC(C)C[N@H+](CCc1ccccc1)Cc1c([N+](=O)[O-])ncn1C ZINC000355542145 266108386 /nfs/dbraw/zinc/10/83/86/266108386.db2.gz JRRCEZIDIZMSBC-UHFFFAOYSA-N 1 0 316.405 3.029 20 5 DGBDRO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC1CCC1 ZINC000355594725 266126125 /nfs/dbraw/zinc/12/61/25/266126125.db2.gz AQTBGFZEUXUYCM-UHFFFAOYSA-N 1 0 308.378 3.234 20 5 DGBDRO CSC1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC000356081819 266277658 /nfs/dbraw/zinc/27/76/58/266277658.db2.gz GNZUQYZJDUJEDH-UHFFFAOYSA-N 1 0 321.446 3.003 20 5 DGBDRO CC(C)[NH+](CCN(C)Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000356390753 266377188 /nfs/dbraw/zinc/37/71/88/266377188.db2.gz PNDDRDUHHAHCAD-UHFFFAOYSA-N 1 0 311.401 3.285 20 5 DGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000270386115 432239577 /nfs/dbraw/zinc/23/95/77/432239577.db2.gz PUVJQPGMNMKOMC-UHFFFAOYSA-N 1 0 319.386 3.279 20 5 DGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191291742 432246032 /nfs/dbraw/zinc/24/60/32/432246032.db2.gz VNVMUWCJLYIEQE-CYBMUJFWSA-N 1 0 316.361 3.313 20 5 DGBDRO CC[NH+](CC)[C@H](C)CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000359894124 271012677 /nfs/dbraw/zinc/01/26/77/271012677.db2.gz BYYILMQSXIIJDV-SECBINFHSA-N 1 0 320.315 3.151 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C2(C3CC3)CCOCC2)ccc1Cl ZINC000368391579 271153054 /nfs/dbraw/zinc/15/30/54/271153054.db2.gz XQQOWRXFZUTVQL-UHFFFAOYSA-N 1 0 310.781 3.297 20 5 DGBDRO C[NH+]1CCC2(CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000368964752 271228017 /nfs/dbraw/zinc/22/80/17/271228017.db2.gz HIPCWUYDVKLBHL-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000369139850 271245402 /nfs/dbraw/zinc/24/54/02/271245402.db2.gz LVBWLWODUUBIST-ZFWWWQNUSA-N 1 0 314.389 3.144 20 5 DGBDRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000369139885 271246135 /nfs/dbraw/zinc/24/61/35/271246135.db2.gz MCDFPTXTYPEBGC-LSDHHAIUSA-N 1 0 314.389 3.144 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000369419267 271274893 /nfs/dbraw/zinc/27/48/93/271274893.db2.gz QWLLXNFIOSCWGR-CABCVRRESA-N 1 0 304.390 3.233 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCCC(F)(F)F)CC2)n1 ZINC000369684097 271309557 /nfs/dbraw/zinc/30/95/57/271309557.db2.gz XLKZDXRWVCMUKL-UHFFFAOYSA-N 1 0 320.315 3.161 20 5 DGBDRO C[C@@H]1COCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000370183081 271344095 /nfs/dbraw/zinc/34/40/95/271344095.db2.gz KABINHKAXAUXGU-ZDUSSCGKSA-N 1 0 316.357 3.323 20 5 DGBDRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191327954 432251215 /nfs/dbraw/zinc/25/12/15/432251215.db2.gz UGWXPWOFHHFINL-UHFFFAOYSA-N 1 0 322.409 3.017 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000172823925 273782601 /nfs/dbraw/zinc/78/26/01/273782601.db2.gz WSCRKZDLTWUZLU-MLGOLLRUSA-N 1 0 323.441 3.042 20 5 DGBDRO C[NH+](C)[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000342079503 273808326 /nfs/dbraw/zinc/80/83/26/273808326.db2.gz SXZBKIFJDWZAGJ-SECBINFHSA-N 1 0 304.177 3.042 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000277005219 274117813 /nfs/dbraw/zinc/11/78/13/274117813.db2.gz ADUJYRPFCBIOMP-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279060602 274184203 /nfs/dbraw/zinc/18/42/03/274184203.db2.gz KWPTVVTWWBAJOG-NZVBXONLSA-N 1 0 324.446 3.019 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000279108257 274524982 /nfs/dbraw/zinc/52/49/82/274524982.db2.gz OYURZAYWGUYBHM-MKBNYLNASA-N 1 0 304.390 3.332 20 5 DGBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)c2cc(F)ccc2C[NH2+]1 ZINC000414871536 274589611 /nfs/dbraw/zinc/58/96/11/274589611.db2.gz OHJUJOUEWZVXGL-JTQLQIEISA-N 1 0 321.377 3.294 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267456771 275035590 /nfs/dbraw/zinc/03/55/90/275035590.db2.gz TYWFMBZIYUEVTJ-LLVKDONJSA-N 1 0 320.780 3.351 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000161898736 275036770 /nfs/dbraw/zinc/03/67/70/275036770.db2.gz XUXBVOFWSKHBMT-MLGOLLRUSA-N 1 0 319.380 3.187 20 5 DGBDRO CC(C)[C@@H](CCO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433291901 275668412 /nfs/dbraw/zinc/66/84/12/275668412.db2.gz VVLLPLUJVXCEIN-HZPDHXFCSA-N 1 0 306.406 3.314 20 5 DGBDRO CC[NH+](CC)C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093692934 276106053 /nfs/dbraw/zinc/10/60/53/276106053.db2.gz CTTHYIQGEDGHMJ-DYLHUKMJSA-N 1 0 317.433 3.272 20 5 DGBDRO C[N@@H+]1CCCC12CCN(Cc1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000492205345 277042198 /nfs/dbraw/zinc/04/21/98/277042198.db2.gz AVQSMUJEDLEKOU-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000123232722 277347711 /nfs/dbraw/zinc/34/77/11/277347711.db2.gz GOOVQLBHMJAWHI-CQSZACIVSA-N 1 0 320.389 3.103 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000447588441 277679148 /nfs/dbraw/zinc/67/91/48/277679148.db2.gz UMWLSVFVPLBFFA-BZUAXINKSA-N 1 0 304.390 3.375 20 5 DGBDRO COc1cccc(N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000475360675 278016123 /nfs/dbraw/zinc/01/61/23/278016123.db2.gz BHTIGVWYWDTBNE-UHFFFAOYSA-N 1 0 321.421 3.162 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000337532962 278272746 /nfs/dbraw/zinc/27/27/46/278272746.db2.gz DWZPLBHVPUNEQJ-ZWKOPEQDSA-N 1 0 300.305 3.406 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000467858213 278278598 /nfs/dbraw/zinc/27/85/98/278278598.db2.gz GTCPBHALIHQPFF-ZCDTZLGTSA-N 1 0 304.390 3.449 20 5 DGBDRO CC[C@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000111253696 431198464 /nfs/dbraw/zinc/19/84/64/431198464.db2.gz PCNACHYBHPKWOA-LBPRGKRZSA-N 1 0 307.394 3.210 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000278908044 279510317 /nfs/dbraw/zinc/51/03/17/279510317.db2.gz ZWMQKXWQUJZBFF-MEDUHNTESA-N 1 0 300.362 3.057 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000337532959 279537149 /nfs/dbraw/zinc/53/71/49/279537149.db2.gz DWZPLBHVPUNEQJ-TVYUQYBPSA-N 1 0 300.305 3.406 20 5 DGBDRO C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000112079979 431246626 /nfs/dbraw/zinc/24/66/26/431246626.db2.gz BERCDRJWPXJFIB-NSHDSACASA-N 1 0 300.362 3.038 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000112077783 431246979 /nfs/dbraw/zinc/24/69/79/431246979.db2.gz YFXWNKOHISEJDU-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000071895720 431310926 /nfs/dbraw/zinc/31/09/26/431310926.db2.gz KNFIOBLFNPZIPX-INIZCTEOSA-N 1 0 303.337 3.449 20 5 DGBDRO O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000072058318 431328321 /nfs/dbraw/zinc/32/83/21/431328321.db2.gz LPYIZJPOSIOPMS-UHFFFAOYSA-N 1 0 308.297 3.237 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(C)C ZINC000114725495 431410176 /nfs/dbraw/zinc/41/01/76/431410176.db2.gz VYGPCESJXPMIAX-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078270869 431653424 /nfs/dbraw/zinc/65/34/24/431653424.db2.gz OXLPQSIUNBVLTJ-HUBLWGQQSA-N 1 0 305.378 3.090 20 5 DGBDRO O=[N+]([O-])c1ccccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000025833082 431666432 /nfs/dbraw/zinc/66/64/32/431666432.db2.gz HYYDJRHDSXVUMJ-OAHLLOKOSA-N 1 0 301.346 3.437 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000026157309 431668628 /nfs/dbraw/zinc/66/86/28/431668628.db2.gz HRMZWJVOAYMLKR-UHFFFAOYSA-N 1 0 313.357 3.055 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122133626 431813245 /nfs/dbraw/zinc/81/32/45/431813245.db2.gz JSPYKHDCPAHRAO-IUODEOHRSA-N 1 0 303.362 3.141 20 5 DGBDRO CC(C)c1nccn1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000123678180 431871252 /nfs/dbraw/zinc/87/12/52/431871252.db2.gz RBEWFKGRJGJEFH-UHFFFAOYSA-N 1 0 322.752 3.207 20 5 DGBDRO C[C@H]1CCC[C@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125228428 431918088 /nfs/dbraw/zinc/91/80/88/431918088.db2.gz VREGSINDIHMTIR-KBPBESRZSA-N 1 0 319.405 3.068 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H]1CCC[NH2+]C1 ZINC000044502851 431874640 /nfs/dbraw/zinc/87/46/40/431874640.db2.gz YKMWZIPZJKLPHR-VIFPVBQESA-N 1 0 303.284 3.025 20 5 DGBDRO C[C@H](C1CC1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883303 431883689 /nfs/dbraw/zinc/88/36/89/431883689.db2.gz QQDKNFSYZHGTQC-LLVKDONJSA-N 1 0 301.346 3.480 20 5 DGBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000090538480 431892423 /nfs/dbraw/zinc/89/24/23/431892423.db2.gz JYISSNAUCTXNBB-SNVBAGLBSA-N 1 0 314.798 3.247 20 5 DGBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000090538313 431892727 /nfs/dbraw/zinc/89/27/27/431892727.db2.gz BTZCCGUHINHOMD-AWEZNQCLSA-N 1 0 308.769 3.186 20 5 DGBDRO CCC[C@@H]([NH2+]CCCNC(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090880545 431896597 /nfs/dbraw/zinc/89/65/97/431896597.db2.gz HVXASLZPLBSUJC-MRXNPFEDSA-N 1 0 321.421 3.188 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000124690448 431901907 /nfs/dbraw/zinc/90/19/07/431901907.db2.gz FFBSXSAMEQPBMK-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000124762021 431903737 /nfs/dbraw/zinc/90/37/37/431903737.db2.gz AYGABMXTTKPTNY-HOTGVXAUSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@@H](c1cccnc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000127755741 431980156 /nfs/dbraw/zinc/98/01/56/431980156.db2.gz RZMGSZNLUBBRTG-ZDUSSCGKSA-N 1 0 301.346 3.062 20 5 DGBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000054128248 431967495 /nfs/dbraw/zinc/96/74/95/431967495.db2.gz FPPYTOSYBBRMQM-UHFFFAOYSA-N 1 0 305.300 3.366 20 5 DGBDRO C[C@@H](c1ccccn1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000127984680 431985301 /nfs/dbraw/zinc/98/53/01/431985301.db2.gz WEIALMGCYAOANQ-ZDUSSCGKSA-N 1 0 301.346 3.062 20 5 DGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000191587490 432281611 /nfs/dbraw/zinc/28/16/11/432281611.db2.gz JKBSLJDQERJDJV-PBHICJAKSA-N 1 0 314.385 3.157 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183372989 432286096 /nfs/dbraw/zinc/28/60/96/432286096.db2.gz WWLSETJLKQXKNK-INIZCTEOSA-N 1 0 316.332 3.387 20 5 DGBDRO CCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000058092736 431994570 /nfs/dbraw/zinc/99/45/70/431994570.db2.gz RHXRNFRVJRFMLX-UHFFFAOYSA-N 1 0 300.358 3.326 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000102888246 432000286 /nfs/dbraw/zinc/00/02/86/432000286.db2.gz SIRQHNSIHXJLHX-BBRMVZONSA-N 1 0 300.358 3.287 20 5 DGBDRO CC[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)N1CCCC1 ZINC000151687115 432265770 /nfs/dbraw/zinc/26/57/70/432265770.db2.gz NUSRVCAQXLNKQK-LSDHHAIUSA-N 1 0 305.422 3.428 20 5 DGBDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)N1CCCC1 ZINC000151677880 432266396 /nfs/dbraw/zinc/26/63/96/432266396.db2.gz OCSVVHXOPSKDBI-GOEBONIOSA-N 1 0 305.422 3.428 20 5 DGBDRO CC[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)N1CCCC1 ZINC000151686514 432266718 /nfs/dbraw/zinc/26/67/18/432266718.db2.gz AYAXTBXKZNGBMY-GJZGRUSLSA-N 1 0 305.422 3.428 20 5 DGBDRO CC(C)[C@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271048052 432319702 /nfs/dbraw/zinc/31/97/02/432319702.db2.gz NKJBQWPDBYSKTE-ZDUSSCGKSA-N 1 0 316.405 3.472 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCOC1 ZINC000271062728 432325346 /nfs/dbraw/zinc/32/53/46/432325346.db2.gz CJIKRNPDBANOCP-KGLIPLIRSA-N 1 0 324.446 3.482 20 5 DGBDRO C[C@H](C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000184008506 432345162 /nfs/dbraw/zinc/34/51/62/432345162.db2.gz KSYKRWKFKNNJKK-GFCCVEGCSA-N 1 0 321.402 3.166 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CCO ZINC000271188654 432347679 /nfs/dbraw/zinc/34/76/79/432347679.db2.gz XDTMDOLZHZLYMJ-OLZOCXBDSA-N 1 0 312.435 3.074 20 5 DGBDRO COc1cc(C[N@H+](C)C(C2CC2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184258329 432373278 /nfs/dbraw/zinc/37/32/78/432373278.db2.gz SSOJGFOFVHHWOR-UHFFFAOYSA-N 1 0 308.353 3.363 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000153148711 432386967 /nfs/dbraw/zinc/38/69/67/432386967.db2.gz SSRUJDDIWPPIQN-GXTWGEPZSA-N 1 0 310.394 3.051 20 5 DGBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000271406860 432388424 /nfs/dbraw/zinc/38/84/24/432388424.db2.gz YDKMUWVOWYTWNK-CZUORRHYSA-N 1 0 304.390 3.140 20 5 DGBDRO NC(=O)N[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000271407438 432388973 /nfs/dbraw/zinc/38/89/73/432388973.db2.gz WZIRRVKLTUBSML-INIZCTEOSA-N 1 0 319.408 3.236 20 5 DGBDRO CC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1 ZINC000271440779 432395475 /nfs/dbraw/zinc/39/54/75/432395475.db2.gz DHCJDGYJRPPVIA-INIZCTEOSA-N 1 0 318.417 3.322 20 5 DGBDRO Cc1ccc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000249879178 432359801 /nfs/dbraw/zinc/35/98/01/432359801.db2.gz MRLPDIJQGFZFNB-UPJWGTAASA-N 1 0 305.378 3.103 20 5 DGBDRO Cc1ccc([C@@H](C)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000192925241 432428475 /nfs/dbraw/zinc/42/84/75/432428475.db2.gz LZLWXMGWYYOGLI-OAHLLOKOSA-N 1 0 305.422 3.430 20 5 DGBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272044127 432436518 /nfs/dbraw/zinc/43/65/18/432436518.db2.gz RQPPOALWGJKJRZ-OAHLLOKOSA-N 1 0 312.797 3.375 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000153759561 432439638 /nfs/dbraw/zinc/43/96/38/432439638.db2.gz CDPBIGUSVNIPML-SLEUVZQESA-N 1 0 310.394 3.051 20 5 DGBDRO CC(C)[N@H+](CCO[C@@H]1CCCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000193045289 432441484 /nfs/dbraw/zinc/44/14/84/432441484.db2.gz WGWPVXIBFQEYBS-QGZVFWFLSA-N 1 0 322.405 3.348 20 5 DGBDRO CC(C)[N@H+](Cc1cnc(N)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000261749344 432446148 /nfs/dbraw/zinc/44/61/48/432446148.db2.gz JMHDUQSOMAMMQR-UHFFFAOYSA-N 1 0 306.391 3.044 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000153927173 432456964 /nfs/dbraw/zinc/45/69/64/432456964.db2.gz PAXJZNGAUIJTPT-JHJVBQTASA-N 1 0 310.394 3.051 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000271495413 432409057 /nfs/dbraw/zinc/40/90/57/432409057.db2.gz LBVZDKSKRNOZFD-LSDHHAIUSA-N 1 0 300.362 3.436 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000271512892 432412057 /nfs/dbraw/zinc/41/20/57/432412057.db2.gz NIKSNNCCIKJCDP-DYEKYZERSA-N 1 0 308.378 3.212 20 5 DGBDRO CCOc1ccc([C@H](C)NCC[N@H+](CC)C(C)C)cc1[N+](=O)[O-] ZINC000153498201 432415114 /nfs/dbraw/zinc/41/51/14/432415114.db2.gz HNQRQWCNCZWFFN-AWEZNQCLSA-N 1 0 323.437 3.374 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000192800603 432416277 /nfs/dbraw/zinc/41/62/77/432416277.db2.gz MGMUYOZJFUXUPY-IUODEOHRSA-N 1 0 319.405 3.400 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000154097044 432471367 /nfs/dbraw/zinc/47/13/67/432471367.db2.gz HIQJTDIDAURBBF-CJNGLKHVSA-N 1 0 317.389 3.450 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000262298424 432479609 /nfs/dbraw/zinc/47/96/09/432479609.db2.gz OETFCVCTHIQBNN-ZDUSSCGKSA-N 1 0 303.406 3.120 20 5 DGBDRO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000262353425 432482910 /nfs/dbraw/zinc/48/29/10/432482910.db2.gz VKEUZXCXUFHLGZ-TZMCWYRMSA-N 1 0 300.362 3.072 20 5 DGBDRO [NH3+]C[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CCCC1 ZINC000262484275 432487274 /nfs/dbraw/zinc/48/72/74/432487274.db2.gz KEUIJLIYAHLJGQ-OAHLLOKOSA-N 1 0 300.362 3.072 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000176041718 432488371 /nfs/dbraw/zinc/48/83/71/432488371.db2.gz SZYGTILJZRNXOA-ABAIWWIYSA-N 1 0 306.362 3.130 20 5 DGBDRO Cc1c(CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000262511742 432489521 /nfs/dbraw/zinc/48/95/21/432489521.db2.gz NARPQPVKLDKUMD-XJKSGUPXSA-N 1 0 305.422 3.304 20 5 DGBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000176202242 432499596 /nfs/dbraw/zinc/49/95/96/432499596.db2.gz CFEJPTQXZZMUES-CYBMUJFWSA-N 1 0 308.769 3.186 20 5 DGBDRO Cc1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1C ZINC000176260336 432503889 /nfs/dbraw/zinc/50/38/89/432503889.db2.gz DBAJBOPGVQBKGF-UHFFFAOYSA-N 1 0 314.389 3.073 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000153980168 432461265 /nfs/dbraw/zinc/46/12/65/432461265.db2.gz MDXKWFVYUCWEMY-WFASDCNBSA-N 1 0 310.394 3.051 20 5 DGBDRO C[C@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000261957832 432463094 /nfs/dbraw/zinc/46/30/94/432463094.db2.gz XGWYMRSFSPPTOJ-LRDDRELGSA-N 1 0 319.405 3.070 20 5 DGBDRO C[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000185113360 432469061 /nfs/dbraw/zinc/46/90/61/432469061.db2.gz ACCGCFMFGHKKTL-INIZCTEOSA-N 1 0 320.776 3.246 20 5 DGBDRO Cc1ccc(-c2nc(C3([NH3+])CCCCC3)no2)cc1[N+](=O)[O-] ZINC000262030043 432469542 /nfs/dbraw/zinc/46/95/42/432469542.db2.gz YPYGVCJGLJAZNR-UHFFFAOYSA-N 1 0 302.334 3.071 20 5 DGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000185654908 432520143 /nfs/dbraw/zinc/52/01/43/432520143.db2.gz JPDYNKQDPHMWIL-RISCZKNCSA-N 1 0 316.361 3.265 20 5 DGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000185654929 432520482 /nfs/dbraw/zinc/52/04/82/432520482.db2.gz JPDYNKQDPHMWIL-SMDDNHRTSA-N 1 0 316.361 3.265 20 5 DGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000185658767 432520777 /nfs/dbraw/zinc/52/07/77/432520777.db2.gz CXZXDJKHNTUXBJ-FZMZJTMJSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO[C@H]1C1CC1 ZINC000273073404 432547031 /nfs/dbraw/zinc/54/70/31/432547031.db2.gz OUQZPHUBNYBDCM-GJZGRUSLSA-N 1 0 310.781 3.295 20 5 DGBDRO COCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000273212736 432566117 /nfs/dbraw/zinc/56/61/17/432566117.db2.gz BYFVQHXRJOTMAD-CQSZACIVSA-N 1 0 304.346 3.364 20 5 DGBDRO CO[C@@H](C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000263790378 432577998 /nfs/dbraw/zinc/57/79/98/432577998.db2.gz HLNCKSLRUIFZME-LBPRGKRZSA-N 1 0 304.346 3.369 20 5 DGBDRO COCC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000273309493 432582277 /nfs/dbraw/zinc/58/22/77/432582277.db2.gz UBGIMCWBWHSPMV-OAHLLOKOSA-N 1 0 304.346 3.098 20 5 DGBDRO C[C@H]([N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(C)CC1 ZINC000177228306 432601374 /nfs/dbraw/zinc/60/13/74/432601374.db2.gz JRBQTFJTIYMBCO-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO CCOC(=O)C[C@@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000186719621 432626138 /nfs/dbraw/zinc/62/61/38/432626138.db2.gz SXVBPUGSBYRJQE-QGZVFWFLSA-N 1 0 322.405 3.095 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCO)Cc1ccccc1 ZINC000158296027 432642035 /nfs/dbraw/zinc/64/20/35/432642035.db2.gz QKIXHFQWAXZDPM-UXBLZVDNSA-N 1 0 312.369 3.103 20 5 DGBDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218989893 432661286 /nfs/dbraw/zinc/66/12/86/432661286.db2.gz ZMZCWISEFKEBBK-GFCCVEGCSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227648433 432713383 /nfs/dbraw/zinc/71/33/83/432713383.db2.gz BRKPACNCIIYSTF-LLVKDONJSA-N 1 0 312.801 3.320 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cnn1C ZINC000177960424 432678613 /nfs/dbraw/zinc/67/86/13/432678613.db2.gz FOZWPBOUVWKTDL-VXGBXAGGSA-N 1 0 302.378 3.357 20 5 DGBDRO CCOC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000188869543 432749984 /nfs/dbraw/zinc/74/99/84/432749984.db2.gz ZXAOPLNBVPJOTP-CQSZACIVSA-N 1 0 300.786 3.399 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCSC3)o2)c1 ZINC000266136130 432752177 /nfs/dbraw/zinc/75/21/77/432752177.db2.gz FRIDEXVIAKGWEL-GFCCVEGCSA-N 1 0 304.371 3.450 20 5 DGBDRO Cc1c([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000161072979 432757830 /nfs/dbraw/zinc/75/78/30/432757830.db2.gz LPNLLLOYIKHTRS-ZNMIVQPWSA-N 1 0 305.422 3.427 20 5 DGBDRO CCN(CC)[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000236896214 432769987 /nfs/dbraw/zinc/76/99/87/432769987.db2.gz WFNYAPWBIAWUPU-MRXNPFEDSA-N 1 0 317.389 3.361 20 5 DGBDRO Cc1ccnc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000161314731 432772579 /nfs/dbraw/zinc/77/25/79/432772579.db2.gz JEZAODIUPMWVDE-AWEZNQCLSA-N 1 0 306.410 3.078 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000236988847 432774809 /nfs/dbraw/zinc/77/48/09/432774809.db2.gz TVEWPXGZNFERMF-HOTGVXAUSA-N 1 0 304.390 3.422 20 5 DGBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000230892080 432730848 /nfs/dbraw/zinc/73/08/48/432730848.db2.gz GOMIFYWRZMKXFU-CYBMUJFWSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1cc(NC[C@H](C)[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000235142404 432742475 /nfs/dbraw/zinc/74/24/75/432742475.db2.gz RQSPDDIKIYJEHQ-VIFPVBQESA-N 1 0 316.199 3.028 20 5 DGBDRO COc1cc(NC2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000267253747 432826804 /nfs/dbraw/zinc/82/68/04/432826804.db2.gz ZZYMXRDAZQCKFC-UHFFFAOYSA-N 1 0 319.405 3.422 20 5 DGBDRO C[C@H]([NH2+]Cc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1CCOC1 ZINC000162669861 432830873 /nfs/dbraw/zinc/83/08/73/432830873.db2.gz PZWJIUBUEXWJCF-DZGCQCFKSA-N 1 0 323.392 3.461 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000161546016 432784431 /nfs/dbraw/zinc/78/44/31/432784431.db2.gz FMVYGRXWAKFBJA-BBRMVZONSA-N 1 0 300.358 3.022 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000161546257 432784743 /nfs/dbraw/zinc/78/47/43/432784743.db2.gz FMVYGRXWAKFBJA-XJKSGUPXSA-N 1 0 300.358 3.022 20 5 DGBDRO C[C@@H]1CCC[C@](CNCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000237368368 432784782 /nfs/dbraw/zinc/78/47/82/432784782.db2.gz ZRVDTSJSJGIGSQ-PBHICJAKSA-N 1 0 305.422 3.195 20 5 DGBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000276284757 432792356 /nfs/dbraw/zinc/79/23/56/432792356.db2.gz VZZPIVVTRVCBQO-UHFFFAOYSA-N 1 0 321.421 3.132 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)(C)C1 ZINC000266941561 432800839 /nfs/dbraw/zinc/80/08/39/432800839.db2.gz QBERQMSVMOSEGA-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266959735 432801790 /nfs/dbraw/zinc/80/17/90/432801790.db2.gz WGEUPPIMYDPWJW-GXTWGEPZSA-N 1 0 300.362 3.259 20 5 DGBDRO CCOC(CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])OCC ZINC000276471578 432809907 /nfs/dbraw/zinc/80/99/07/432809907.db2.gz DNEFZKYWCPUHPB-CQSZACIVSA-N 1 0 324.421 3.295 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000245847870 432865516 /nfs/dbraw/zinc/86/55/16/432865516.db2.gz FGIIERVKRYLORS-DANNLKNASA-N 1 0 302.374 3.203 20 5 DGBDRO CC(=O)c1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000288084212 432885633 /nfs/dbraw/zinc/88/56/33/432885633.db2.gz ZMLNUXVTHAGURX-CQSZACIVSA-N 1 0 319.405 3.187 20 5 DGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000163166660 432845149 /nfs/dbraw/zinc/84/51/49/432845149.db2.gz DCDHRDRXOLSRSV-BBRMVZONSA-N 1 0 319.405 3.116 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000268226460 432857071 /nfs/dbraw/zinc/85/70/71/432857071.db2.gz KYSGCFJHDDUYCL-CQSZACIVSA-N 1 0 321.421 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000268243425 432858818 /nfs/dbraw/zinc/85/88/18/432858818.db2.gz HICYAXLCNRCMDP-HOTGVXAUSA-N 1 0 316.357 3.276 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000330663200 432923418 /nfs/dbraw/zinc/92/34/18/432923418.db2.gz SSOVXCPFLHQDAJ-OLZOCXBDSA-N 1 0 305.378 3.105 20 5 DGBDRO COCC1(C)CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330661933 432923441 /nfs/dbraw/zinc/92/34/41/432923441.db2.gz VVCBAFBFVLQOPM-UHFFFAOYSA-N 1 0 312.797 3.497 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000330663202 432923651 /nfs/dbraw/zinc/92/36/51/432923651.db2.gz SSOVXCPFLHQDAJ-STQMWFEESA-N 1 0 305.378 3.105 20 5 DGBDRO CN(C)c1ccccc1CN(C)Cc1csc([N+](=O)[O-])c1 ZINC000289155182 432927839 /nfs/dbraw/zinc/92/78/39/432927839.db2.gz ZWKXWRNJYUACHZ-UHFFFAOYSA-N 1 0 305.403 3.354 20 5 DGBDRO COCCC[N@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000289184667 432930851 /nfs/dbraw/zinc/93/08/51/432930851.db2.gz ATWPLHMIHLXPIR-UHFFFAOYSA-N 1 0 315.373 3.029 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@@H](C)O ZINC000279096261 432934984 /nfs/dbraw/zinc/93/49/84/432934984.db2.gz NXJKZVNWWHEMHQ-CHWSQXEVSA-N 1 0 312.435 3.216 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000279108254 432935173 /nfs/dbraw/zinc/93/51/73/432935173.db2.gz OYURZAYWGUYBHM-HWWQOWPSSA-N 1 0 304.390 3.332 20 5 DGBDRO CC[C@@H](CCO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279118059 432936384 /nfs/dbraw/zinc/93/63/84/432936384.db2.gz PWDMFFYLXTVRNJ-BLLLJJGKSA-N 1 0 306.406 3.315 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279226535 432947922 /nfs/dbraw/zinc/94/79/22/432947922.db2.gz IQVYTFWBIVTKOO-SMDDNHRTSA-N 1 0 316.361 3.313 20 5 DGBDRO CCC[C@]1(CO)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000288915293 432905531 /nfs/dbraw/zinc/90/55/31/432905531.db2.gz UNFXZYBLGQITIW-HNNXBMFYSA-N 1 0 312.797 3.233 20 5 DGBDRO CC[C@H]([NH2+]CCCSCCOC)c1cccc([N+](=O)[O-])c1 ZINC000278857784 432909556 /nfs/dbraw/zinc/90/95/56/432909556.db2.gz MSTFGUARYDARIV-HNNXBMFYSA-N 1 0 312.435 3.405 20 5 DGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330616043 432920505 /nfs/dbraw/zinc/92/05/05/432920505.db2.gz DFMNNUDZABVBMK-CQSZACIVSA-N 1 0 305.378 3.489 20 5 DGBDRO C[N@H+](CCCCCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000279429180 432967335 /nfs/dbraw/zinc/96/73/35/432967335.db2.gz NZBTTZBVPAAGMA-UHFFFAOYSA-N 1 0 318.373 3.449 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCSC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000332221271 432987524 /nfs/dbraw/zinc/98/75/24/432987524.db2.gz KHAHFOIHWHMODI-LBPRGKRZSA-N 1 0 310.419 3.178 20 5 DGBDRO Cc1cscc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331612531 432953068 /nfs/dbraw/zinc/95/30/68/432953068.db2.gz MKAMTOZJJQANMH-KBPBESRZSA-N 1 0 320.418 3.435 20 5 DGBDRO Cc1ccc(C[NH2+]CCc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000341252927 433005524 /nfs/dbraw/zinc/00/55/24/433005524.db2.gz IBCKUOGFYJUNOO-UHFFFAOYSA-N 1 0 310.357 3.112 20 5 DGBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000349829422 433017116 /nfs/dbraw/zinc/01/71/16/433017116.db2.gz PEUNHGZJCWISMH-ZRMMWKCHSA-N 1 0 316.357 3.272 20 5 DGBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000350098402 433074041 /nfs/dbraw/zinc/07/40/41/433074041.db2.gz MEPYWNKCGJULIG-CQSZACIVSA-N 1 0 306.406 3.180 20 5 DGBDRO CC(C)(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000350160728 433100249 /nfs/dbraw/zinc/10/02/49/433100249.db2.gz NTYSUIPUHNLFKC-UHFFFAOYSA-N 1 0 316.405 3.340 20 5 DGBDRO CC(C)[C@H](C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000298405274 433126083 /nfs/dbraw/zinc/12/60/83/433126083.db2.gz HCAQEFZVVCJRDY-NSHDSACASA-N 1 0 304.350 3.121 20 5 DGBDRO [NH3+]C[C@@H]1CC[C@H](Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420280071 433144087 /nfs/dbraw/zinc/14/40/87/433144087.db2.gz UGUFWOKJJMWTEW-APPZFPTMSA-N 1 0 304.177 3.441 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420286066 433145376 /nfs/dbraw/zinc/14/53/76/433145376.db2.gz QFICWVUVEWOSRJ-NEPJUHHUSA-N 1 0 300.362 3.072 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([NH2+]CC2CC2)CC1 ZINC000420290970 433150306 /nfs/dbraw/zinc/15/03/06/433150306.db2.gz MTTUXIVKDVUXRX-CQSZACIVSA-N 1 0 317.433 3.428 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1SC ZINC000298351719 433103827 /nfs/dbraw/zinc/10/38/27/433103827.db2.gz JTSFHTDHLOKMDS-AQNFWKISSA-N 1 0 310.419 3.154 20 5 DGBDRO COC1CCC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350184537 433108493 /nfs/dbraw/zinc/10/84/93/433108493.db2.gz HISQKBNNSQHSGL-UHFFFAOYSA-N 1 0 310.369 3.419 20 5 DGBDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446836633 433112827 /nfs/dbraw/zinc/11/28/27/433112827.db2.gz RVRMFYZYKWREDA-NWDGAFQWSA-N 1 0 302.378 3.387 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)nc2c1 ZINC000446849141 433117199 /nfs/dbraw/zinc/11/71/99/433117199.db2.gz MBVSCMYUFJQNOM-DZGCQCFKSA-N 1 0 322.368 3.364 20 5 DGBDRO Cc1cc(-c2noc(C34CCC[NH+]3CCC4)n2)cc([N+](=O)[O-])c1 ZINC000420501418 433207880 /nfs/dbraw/zinc/20/78/80/433207880.db2.gz OQPNUJVHZVMACL-UHFFFAOYSA-N 1 0 314.345 3.038 20 5 DGBDRO CC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000341683010 433209546 /nfs/dbraw/zinc/20/95/46/433209546.db2.gz KTPVMWBTPWCZJJ-INIZCTEOSA-N 1 0 316.405 3.392 20 5 DGBDRO CCC(C)(C)OCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453404102 433158318 /nfs/dbraw/zinc/15/83/18/433158318.db2.gz HQVPXLMMYQDMFW-KBPBESRZSA-N 1 0 324.425 3.070 20 5 DGBDRO CC(C)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290779761 433165843 /nfs/dbraw/zinc/16/58/43/433165843.db2.gz CCPMKWITQWJVCN-NSHDSACASA-N 1 0 307.177 3.008 20 5 DGBDRO Cc1cc(NCC2=CC[N@H+](C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000354598763 433171860 /nfs/dbraw/zinc/17/18/60/433171860.db2.gz IOMGAPZXFWYSGO-UHFFFAOYSA-N 1 0 312.373 3.125 20 5 DGBDRO CC[C@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290867804 433191584 /nfs/dbraw/zinc/19/15/84/433191584.db2.gz LAEMXYWOQVZJMY-JTQLQIEISA-N 1 0 307.177 3.152 20 5 DGBDRO CC[N@H+](CC1CCC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361481711 433195364 /nfs/dbraw/zinc/19/53/64/433195364.db2.gz PZTYQBJKIGYQHG-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447530932 433219083 /nfs/dbraw/zinc/21/90/83/433219083.db2.gz PRZDIFNHNRMQEY-JKSUJKDBSA-N 1 0 314.389 3.373 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCOCC1CCCC1 ZINC000453589179 433220214 /nfs/dbraw/zinc/22/02/14/433220214.db2.gz VLYDCSOUDMXPLC-UITAMQMPSA-N 1 0 304.390 3.404 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1(CO)CCCC1 ZINC000453617070 433237832 /nfs/dbraw/zinc/23/78/32/433237832.db2.gz PAORGGQUQMYNCN-AWEZNQCLSA-N 1 0 312.435 3.323 20 5 DGBDRO C[N@@H+]1CCCC12CCN(Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000374615988 433240778 /nfs/dbraw/zinc/24/07/78/433240778.db2.gz WEEKQYYDVXCXOZ-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO CO[C@@H](C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000425466649 433254460 /nfs/dbraw/zinc/25/44/60/433254460.db2.gz BDOCTYBLOWPMGH-RDJZCZTQSA-N 1 0 304.390 3.199 20 5 DGBDRO COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000299124217 433323174 /nfs/dbraw/zinc/32/31/74/433323174.db2.gz HYLIVHBBXQPYJX-UHFFFAOYSA-N 1 0 316.357 3.244 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000350750700 433273898 /nfs/dbraw/zinc/27/38/98/433273898.db2.gz XESLUSIVOFCTIH-AWEZNQCLSA-N 1 0 321.396 3.184 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000425522998 433280154 /nfs/dbraw/zinc/28/01/54/433280154.db2.gz OFBJTUHWZOOCCS-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO Cn1nccc1[C@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000281395433 433298325 /nfs/dbraw/zinc/29/83/25/433298325.db2.gz XCEBXPYFBUFTCG-CYBMUJFWSA-N 1 0 306.391 3.117 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000291673395 433308338 /nfs/dbraw/zinc/30/83/38/433308338.db2.gz WMBLWQSLJYFGDO-LDYMZIIASA-N 1 0 319.188 3.152 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000291673393 433308872 /nfs/dbraw/zinc/30/88/72/433308872.db2.gz WMBLWQSLJYFGDO-KWQFWETISA-N 1 0 319.188 3.152 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[C@H](C)C1 ZINC000361642195 433309398 /nfs/dbraw/zinc/30/93/98/433309398.db2.gz IBJINMYBMBSUSJ-JSGCOSHPSA-N 1 0 310.369 3.371 20 5 DGBDRO CC(C)[C@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339084015 433350203 /nfs/dbraw/zinc/35/02/03/433350203.db2.gz OPDMPMRTAVDLQH-ZDUSSCGKSA-N 1 0 320.311 3.110 20 5 DGBDRO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000361674237 433332892 /nfs/dbraw/zinc/33/28/92/433332892.db2.gz CSKIAULAJDBQQE-HNNXBMFYSA-N 1 0 304.390 3.400 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CC(F)(F)C1 ZINC000291749964 433335090 /nfs/dbraw/zinc/33/50/90/433335090.db2.gz PZLSZRSELLXTIS-UHFFFAOYSA-N 1 0 300.305 3.128 20 5 DGBDRO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000361678156 433336585 /nfs/dbraw/zinc/33/65/85/433336585.db2.gz MBRIOSOYWBJNCW-HNNXBMFYSA-N 1 0 304.390 3.400 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000342038519 433428957 /nfs/dbraw/zinc/42/89/57/433428957.db2.gz JHSHEFXRHBQKKY-CHWSQXEVSA-N 1 0 305.378 3.023 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000414087649 433387583 /nfs/dbraw/zinc/38/75/83/433387583.db2.gz ILAJJHKBGWBYSI-ZDUSSCGKSA-N 1 0 302.378 3.002 20 5 DGBDRO Cc1ccc(F)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000425980198 433390374 /nfs/dbraw/zinc/39/03/74/433390374.db2.gz MWJAXFQWHXCSNX-UHFFFAOYSA-N 1 0 318.352 3.076 20 5 DGBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccsc1 ZINC000421018790 433392556 /nfs/dbraw/zinc/39/25/56/433392556.db2.gz XADNNUQICFUEQC-GFCCVEGCSA-N 1 0 308.407 3.324 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301073473 433402684 /nfs/dbraw/zinc/40/26/84/433402684.db2.gz GHADLSHZIRUKSA-GOSISDBHSA-N 1 0 311.385 3.396 20 5 DGBDRO Cc1ccoc1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000426294111 433460785 /nfs/dbraw/zinc/46/07/85/433460785.db2.gz ISARUNJODGHLLK-GFCCVEGCSA-N 1 0 317.345 3.003 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000355105472 433464643 /nfs/dbraw/zinc/46/46/43/433464643.db2.gz HYWPTTSWAOHYSW-CHWSQXEVSA-N 1 0 322.405 3.480 20 5 DGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302788545 290244473 /nfs/dbraw/zinc/24/44/73/290244473.db2.gz XMQGYTSXLRKYLC-YPMHNXCESA-N 1 0 309.797 3.169 20 5 DGBDRO COc1cc(N2CC[NH+](CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301378036 433529152 /nfs/dbraw/zinc/52/91/52/433529152.db2.gz SGQSQLZUOMSCGY-UHFFFAOYSA-N 1 0 321.421 3.162 20 5 DGBDRO COCC1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414307334 433535250 /nfs/dbraw/zinc/53/52/50/433535250.db2.gz HEURNGYRIVMMHN-VQCLRJIVSA-N 1 0 306.406 3.321 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000301403915 433538790 /nfs/dbraw/zinc/53/87/90/433538790.db2.gz SGZYEBMLCSJRBK-CQSZACIVSA-N 1 0 307.394 3.280 20 5 DGBDRO COC1([C@@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000414313928 433539080 /nfs/dbraw/zinc/53/90/80/433539080.db2.gz ZBWKTEGOLCCYMJ-UONOGXRCSA-N 1 0 306.406 3.463 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000414319704 433539334 /nfs/dbraw/zinc/53/93/34/433539334.db2.gz ZRZHOFKIKVKVDF-IUODEOHRSA-N 1 0 318.348 3.161 20 5 DGBDRO Cc1ccc([C@H](CNc2nccc(C)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000301296696 433495544 /nfs/dbraw/zinc/49/55/44/433495544.db2.gz PJLRHENNAKIPKG-HNNXBMFYSA-N 1 0 314.389 3.321 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000421359795 433500253 /nfs/dbraw/zinc/50/02/53/433500253.db2.gz GWONJBFMHFIYBE-ZFWWWQNUSA-N 1 0 306.406 3.169 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CC[C@H](F)C2)c1 ZINC000342272252 433577075 /nfs/dbraw/zinc/57/70/75/433577075.db2.gz DPERIGXADYHJKY-UWVGGRQHSA-N 1 0 304.268 3.176 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000342291319 433594091 /nfs/dbraw/zinc/59/40/91/433594091.db2.gz DSRZUGYVHNCHNA-ZDUSSCGKSA-N 1 0 320.776 3.114 20 5 DGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292308695 433547544 /nfs/dbraw/zinc/54/75/44/433547544.db2.gz DPBLPBHJBUEOHP-MEDUHNTESA-N 1 0 318.398 3.448 20 5 DGBDRO COc1ccc(OCC[NH2+][C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000162321998 292851770 /nfs/dbraw/zinc/85/17/70/292851770.db2.gz FBPJQOFUFXRUBG-JSGCOSHPSA-N 1 0 308.378 3.151 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)C1 ZINC000301524741 433596211 /nfs/dbraw/zinc/59/62/11/433596211.db2.gz IHXIFUXOXCXFJK-LBPRGKRZSA-N 1 0 311.813 3.335 20 5 DGBDRO CCOc1cc(C[NH2+]C(CC)(CC)CCO)ccc1[N+](=O)[O-] ZINC000282405129 433598559 /nfs/dbraw/zinc/59/85/59/433598559.db2.gz IBFBHQJCKVRZMJ-UHFFFAOYSA-N 1 0 310.394 3.024 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283151214 433677763 /nfs/dbraw/zinc/67/77/63/433677763.db2.gz CJKJPZQGUNRCOX-QWHCGFSZSA-N 1 0 305.378 3.186 20 5 DGBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OCC1CC1 ZINC000414519243 433682168 /nfs/dbraw/zinc/68/21/68/433682168.db2.gz WWILZPDBQGAGHR-ALCCZGGFSA-N 1 0 304.390 3.403 20 5 DGBDRO C[C@H](c1cccc(F)c1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376034964 433649163 /nfs/dbraw/zinc/64/91/63/433649163.db2.gz OQSHFPDMLHLNHA-GFCCVEGCSA-N 1 0 318.352 3.329 20 5 DGBDRO CC(C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301742335 433703678 /nfs/dbraw/zinc/70/36/78/433703678.db2.gz LTFSGKSRSUTDNH-CYBMUJFWSA-N 1 0 312.801 3.176 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371062610 293198103 /nfs/dbraw/zinc/19/81/03/293198103.db2.gz CMUBSXMTVUOPFQ-ZDUSSCGKSA-N 1 0 324.808 3.497 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000373482485 293280626 /nfs/dbraw/zinc/28/06/26/293280626.db2.gz SDRHPTBUQCNOGB-KRWDZBQOSA-N 1 0 306.406 3.455 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000374009368 293342195 /nfs/dbraw/zinc/34/21/95/293342195.db2.gz XYIDHGYTFYJZAE-GFCCVEGCSA-N 1 0 302.330 3.186 20 5 DGBDRO CCSCC[C@@H](C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000362455707 433725949 /nfs/dbraw/zinc/72/59/49/433725949.db2.gz SWFXKICWHKTABX-CYBMUJFWSA-N 1 0 312.435 3.437 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)C2(OC)CCCCC2)cc1[N+](=O)[O-] ZINC000421826605 433748553 /nfs/dbraw/zinc/74/85/53/433748553.db2.gz TYSCEGGLJIHZCK-ZDUSSCGKSA-N 1 0 322.405 3.431 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000339728552 433749928 /nfs/dbraw/zinc/74/99/28/433749928.db2.gz GJIHKSKPGFMEAZ-HNNXBMFYSA-N 1 0 310.369 3.011 20 5 DGBDRO C[N@H+](CCN1CCc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000428456455 433757500 /nfs/dbraw/zinc/75/75/00/433757500.db2.gz FJJUMYBUEAHQNI-UHFFFAOYSA-N 1 0 311.385 3.089 20 5 DGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283427351 433724975 /nfs/dbraw/zinc/72/49/75/433724975.db2.gz WQCDPFIBJIZNHK-GXTWGEPZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)[NH+]1CCC(N(C)c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301784245 433725694 /nfs/dbraw/zinc/72/56/94/433725694.db2.gz KTKGTTJAGVLWID-UHFFFAOYSA-N 1 0 313.348 3.182 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CC3CC3)C2)c2c(c1)COCO2 ZINC000339675825 433725747 /nfs/dbraw/zinc/72/57/47/433725747.db2.gz RYNQHKWUAYWZLL-CYBMUJFWSA-N 1 0 318.373 3.083 20 5 DGBDRO CC(C)(NCCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000429238992 433775948 /nfs/dbraw/zinc/77/59/48/433775948.db2.gz SDDGPAQFNUIZFV-UHFFFAOYSA-N 1 0 305.422 3.296 20 5 DGBDRO Cc1cccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000302493855 433824517 /nfs/dbraw/zinc/82/45/17/433824517.db2.gz LEDLAOUAHZYUPB-HOCLYGCPSA-N 1 0 315.417 3.356 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375347040 293515004 /nfs/dbraw/zinc/51/50/04/293515004.db2.gz BQYQWBWVEMVBEJ-UHFFFAOYSA-N 1 0 315.348 3.451 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC(CCC[NH+](C)C)CC1 ZINC000301947408 433802614 /nfs/dbraw/zinc/80/26/14/433802614.db2.gz XXPAYMMGUYZFGC-UHFFFAOYSA-N 1 0 305.422 3.461 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421920352 433808345 /nfs/dbraw/zinc/80/83/45/433808345.db2.gz YDEUTQLNPSWJEC-CQSZACIVSA-N 1 0 321.421 3.062 20 5 DGBDRO CC[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000422092026 433875242 /nfs/dbraw/zinc/87/52/42/433875242.db2.gz XFVMLRYOHRISHV-LLVKDONJSA-N 1 0 306.387 3.184 20 5 DGBDRO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284097764 433834585 /nfs/dbraw/zinc/83/45/85/433834585.db2.gz MQJSAEZIRMAANY-RYUDHWBXSA-N 1 0 315.373 3.081 20 5 DGBDRO CC(C)[C@@H]([NH3+])CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414785883 433835853 /nfs/dbraw/zinc/83/58/53/433835853.db2.gz ABCRLNADZNFXSH-AWEZNQCLSA-N 1 0 319.430 3.396 20 5 DGBDRO CC[NH+](CC)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433152177 433843324 /nfs/dbraw/zinc/84/33/24/433843324.db2.gz QFLMSJKTGQLOOY-INIZCTEOSA-N 1 0 305.422 3.249 20 5 DGBDRO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](C)CO ZINC000293727921 433846556 /nfs/dbraw/zinc/84/65/56/433846556.db2.gz UPDLQZBHBFVCGZ-LBPRGKRZSA-N 1 0 304.346 3.058 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N)c1ccccc1 ZINC000414827722 433867602 /nfs/dbraw/zinc/86/76/02/433867602.db2.gz HOYVEPHKBPGQEQ-WMLDXEAASA-N 1 0 313.401 3.206 20 5 DGBDRO CC[C@H]([NH2+]CC1(COC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000293780437 433868390 /nfs/dbraw/zinc/86/83/90/433868390.db2.gz TWSMBYOQWLMVSH-INIZCTEOSA-N 1 0 322.405 3.079 20 5 DGBDRO [NH3+][C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000414888119 433898288 /nfs/dbraw/zinc/89/82/88/433898288.db2.gz JUDLXJZVQQEEIL-CQSZACIVSA-N 1 0 317.414 3.150 20 5 DGBDRO CCn1cc(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000284956610 433905582 /nfs/dbraw/zinc/90/55/82/433905582.db2.gz JIXDICLOTUAGPD-UHFFFAOYSA-N 1 0 316.405 3.264 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000422552684 433918988 /nfs/dbraw/zinc/91/89/88/433918988.db2.gz RBRWPCGQAJWVHL-GFCCVEGCSA-N 1 0 304.350 3.308 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000293926198 433926976 /nfs/dbraw/zinc/92/69/76/433926976.db2.gz HBAGSOFXWPBIJL-CKEIUWERSA-N 1 0 306.406 3.057 20 5 DGBDRO COc1ccccc1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284315300 433881484 /nfs/dbraw/zinc/88/14/84/433881484.db2.gz ZMWQVMITDLTIOA-GFCCVEGCSA-N 1 0 315.373 3.079 20 5 DGBDRO Cc1nc(NCCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000303336250 433934829 /nfs/dbraw/zinc/93/48/29/433934829.db2.gz RBJDANMPFCFKBL-UHFFFAOYSA-N 1 0 314.389 3.232 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000284335409 433887282 /nfs/dbraw/zinc/88/72/82/433887282.db2.gz BVIPFAMGFDLAQO-CABCVRRESA-N 1 0 310.781 3.392 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000284335416 433887709 /nfs/dbraw/zinc/88/77/09/433887709.db2.gz BVIPFAMGFDLAQO-HUUCEWRRSA-N 1 0 310.781 3.392 20 5 DGBDRO CC(C)(CNc1c2c(ccc1[N+](=O)[O-])NCC2)C[NH+]1CCCC1 ZINC000436371210 433951042 /nfs/dbraw/zinc/95/10/42/433951042.db2.gz YMOWTODGTNMONS-UHFFFAOYSA-N 1 0 318.421 3.097 20 5 DGBDRO Cc1cccc2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cn21 ZINC000285443993 433954335 /nfs/dbraw/zinc/95/43/35/433954335.db2.gz XTSWXNWIIFPJMI-UHFFFAOYSA-N 1 0 324.384 3.225 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)C1CCCC1 ZINC000415064727 433975847 /nfs/dbraw/zinc/97/58/47/433975847.db2.gz LHVDYNNMDCYNTE-CZUORRHYSA-N 1 0 305.422 3.023 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000357385910 433984014 /nfs/dbraw/zinc/98/40/14/433984014.db2.gz AXJDZYJAPHLHGK-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H]1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]1 ZINC000414956165 433937094 /nfs/dbraw/zinc/93/70/94/433937094.db2.gz UZAHKCVTSRQRSD-GXTWGEPZSA-N 1 0 315.373 3.085 20 5 DGBDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000377963790 434046480 /nfs/dbraw/zinc/04/64/80/434046480.db2.gz VZDLMULUODPPHB-DZGCQCFKSA-N 1 0 314.389 3.328 20 5 DGBDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000345958523 434023848 /nfs/dbraw/zinc/02/38/48/434023848.db2.gz PRRKADQLEUWPFK-HNNXBMFYSA-N 1 0 316.405 3.172 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000363385429 434037492 /nfs/dbraw/zinc/03/74/92/434037492.db2.gz YWRAGEPEKOZXQL-MRXNPFEDSA-N 1 0 317.389 3.106 20 5 DGBDRO C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000450226510 434040561 /nfs/dbraw/zinc/04/05/61/434040561.db2.gz LHVRDUOVGHXWNT-KDOFPFPSSA-N 1 0 314.385 3.191 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000357524154 434064462 /nfs/dbraw/zinc/06/44/62/434064462.db2.gz AUQCTDRHOILPBX-OCCSQVGLSA-N 1 0 319.405 3.495 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC12CCCC2 ZINC000451462724 293954527 /nfs/dbraw/zinc/95/45/27/293954527.db2.gz WFLWLPCHLIRRMP-CQSZACIVSA-N 1 0 317.389 3.154 20 5 DGBDRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353399120 434110079 /nfs/dbraw/zinc/11/00/79/434110079.db2.gz BJGSKLVCRRRDHT-ZFWWWQNUSA-N 1 0 314.389 3.053 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cnccc1N ZINC000422922406 434111900 /nfs/dbraw/zinc/11/19/00/434111900.db2.gz QFZYGJQDJBKFBN-CYBMUJFWSA-N 1 0 314.389 3.076 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCc2ccccc2C1 ZINC000498943303 294073968 /nfs/dbraw/zinc/07/39/68/294073968.db2.gz XCTZVAKOAUIWAW-UHFFFAOYSA-N 1 0 312.369 3.422 20 5 DGBDRO C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000378267399 434126900 /nfs/dbraw/zinc/12/69/00/434126900.db2.gz CPKDEFIJKRYSGD-UGSOOPFHSA-N 1 0 311.385 3.432 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503039481 294183517 /nfs/dbraw/zinc/18/35/17/294183517.db2.gz YWAYDWWRMZBWED-RHSMWYFYSA-N 1 0 312.369 3.497 20 5 DGBDRO Cc1ccsc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000505582615 294243919 /nfs/dbraw/zinc/24/39/19/294243919.db2.gz UECNXWDQESAZMO-UHFFFAOYSA-N 1 0 317.414 3.287 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000507527706 294303114 /nfs/dbraw/zinc/30/31/14/294303114.db2.gz MWIHVJPWODKICN-GOEBONIOSA-N 1 0 306.406 3.322 20 5 DGBDRO CC(C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000508655476 294328624 /nfs/dbraw/zinc/32/86/24/294328624.db2.gz OLQRQAPLSKNIQZ-UHFFFAOYSA-N 1 0 313.357 3.058 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000340446548 434135225 /nfs/dbraw/zinc/13/52/25/434135225.db2.gz NOKXMDHMIQZKJX-XHDPSFHLSA-N 1 0 301.346 3.497 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH+]2CCC3(CC3)CC2)cccc1[N+](=O)[O-] ZINC000378326646 434142412 /nfs/dbraw/zinc/14/24/12/434142412.db2.gz OIYYWBYOEKYHAQ-ZDUSSCGKSA-N 1 0 317.389 3.106 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000314969929 434153275 /nfs/dbraw/zinc/15/32/75/434153275.db2.gz NVABXFLCQLCOFM-GFCCVEGCSA-N 1 0 304.321 3.464 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000357787997 434179497 /nfs/dbraw/zinc/17/94/97/434179497.db2.gz VLBKUPCUUHFMNZ-UHFFFAOYSA-N 1 0 308.353 3.127 20 5 DGBDRO Cc1cc(NC[C@H](O)C2CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000316261447 434184430 /nfs/dbraw/zinc/18/44/30/434184430.db2.gz IBUZVVXMGNVKIS-INIZCTEOSA-N 1 0 301.346 3.024 20 5 DGBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000295082775 434187571 /nfs/dbraw/zinc/18/75/71/434187571.db2.gz IMNIGYSEAGNWHY-LBPRGKRZSA-N 1 0 304.346 3.058 20 5 DGBDRO CC(C)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363924816 434188484 /nfs/dbraw/zinc/18/84/84/434188484.db2.gz SVOOSLGBIUJELK-HOTGVXAUSA-N 1 0 317.433 3.435 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000340539408 434196451 /nfs/dbraw/zinc/19/64/51/434196451.db2.gz ZGNDLPJMXPNJTC-VXGBXAGGSA-N 1 0 301.346 3.410 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000353590946 434257974 /nfs/dbraw/zinc/25/79/74/434257974.db2.gz HQOXUIRTJMWXNS-CYBMUJFWSA-N 1 0 322.405 3.480 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)nc1 ZINC000450567049 434269551 /nfs/dbraw/zinc/26/95/51/434269551.db2.gz LHJBIDMRGDUCCD-OAHLLOKOSA-N 1 0 316.405 3.367 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340678887 434292950 /nfs/dbraw/zinc/29/29/50/434292950.db2.gz MVEKARLYXMICNW-GFCCVEGCSA-N 1 0 302.334 3.019 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000340683756 434295147 /nfs/dbraw/zinc/29/51/47/434295147.db2.gz VUOCOFSKIYKSCS-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO CC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000340683759 434296100 /nfs/dbraw/zinc/29/61/00/434296100.db2.gz VUOCOFSKIYKSCS-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CC2=CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000286927026 434297893 /nfs/dbraw/zinc/29/78/93/434297893.db2.gz FYSUDNIUKLEVRY-INIZCTEOSA-N 1 0 302.374 3.254 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCOCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000358068210 434318073 /nfs/dbraw/zinc/31/80/73/434318073.db2.gz YVIDAQQSXPTDBJ-JTQLQIEISA-N 1 0 306.284 3.133 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000517285218 294667647 /nfs/dbraw/zinc/66/76/47/294667647.db2.gz PEVVOPUDZBNYHF-FZMZJTMJSA-N 1 0 307.394 3.336 20 5 DGBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358088814 434326253 /nfs/dbraw/zinc/32/62/53/434326253.db2.gz SXTBSKOHCMOWJW-NEPJUHHUSA-N 1 0 308.378 3.366 20 5 DGBDRO CCOc1ccc([C@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423327092 434366548 /nfs/dbraw/zinc/36/65/48/434366548.db2.gz CUWWETNUCUGSRV-SUMWQHHRSA-N 1 0 321.421 3.034 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348520021 434366947 /nfs/dbraw/zinc/36/69/47/434366947.db2.gz HLAKQQMEYKFKAY-CMPLNLGQSA-N 1 0 320.723 3.498 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCn1cnc2ccccc21 ZINC000518397325 294718452 /nfs/dbraw/zinc/71/84/52/294718452.db2.gz NPZJTDGHACHNIY-OAHLLOKOSA-N 1 0 322.368 3.222 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353685495 434335722 /nfs/dbraw/zinc/33/57/22/434335722.db2.gz IFSHEZHLJMDGAM-XNRPHZJLSA-N 1 0 314.389 3.196 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437829551 434349118 /nfs/dbraw/zinc/34/91/18/434349118.db2.gz QIBXHDOBGHGMQV-MRXNPFEDSA-N 1 0 312.369 3.420 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC(F)(F)F)CCCC2 ZINC000417316323 434355878 /nfs/dbraw/zinc/35/58/78/434355878.db2.gz AUACFTIAIQCBQU-ZDUSSCGKSA-N 1 0 318.295 3.488 20 5 DGBDRO C[C@H](C[NH3+])N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423324950 434360467 /nfs/dbraw/zinc/36/04/67/434360467.db2.gz LHCBLRXJSJRABD-GHMZBOCLSA-N 1 0 305.403 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C1CCC1)CCCC2 ZINC000417353574 434360939 /nfs/dbraw/zinc/36/09/39/434360939.db2.gz XMVLYLYHWBJSFI-IRXDYDNUSA-N 1 0 304.390 3.113 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000295920226 434443082 /nfs/dbraw/zinc/44/30/82/434443082.db2.gz DYVHQORPQPBMCO-LMRQPLJMSA-N 1 0 320.389 3.223 20 5 DGBDRO CCCN(CC[NH+]1CCCC1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000348556059 434396680 /nfs/dbraw/zinc/39/66/80/434396680.db2.gz OMFNIGOAOZXOQD-UHFFFAOYSA-N 1 0 305.422 3.211 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2c[nH]nc21 ZINC000348637219 434423206 /nfs/dbraw/zinc/42/32/06/434423206.db2.gz SYCZFFWJDKLBIP-UHFFFAOYSA-N 1 0 310.357 3.146 20 5 DGBDRO C[C@@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423506452 434466222 /nfs/dbraw/zinc/46/62/22/434466222.db2.gz HTOANJVOEIIKAR-JEBQAFNWSA-N 1 0 311.385 3.001 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(F)c1 ZINC000295996299 434469183 /nfs/dbraw/zinc/46/91/83/434469183.db2.gz MIQOUCCQZAGWCX-IMJJTQAJSA-N 1 0 320.364 3.171 20 5 DGBDRO C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000366701535 434489932 /nfs/dbraw/zinc/48/99/32/434489932.db2.gz ZEXZJMBHJHBSIT-UGSOOPFHSA-N 1 0 311.385 3.432 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000366559755 434450914 /nfs/dbraw/zinc/45/09/14/434450914.db2.gz ZKOHWVLJDLAGDJ-AWEZNQCLSA-N 1 0 315.348 3.102 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000438339409 434457574 /nfs/dbraw/zinc/45/75/74/434457574.db2.gz DYYDWRIRQBUFJD-UHFFFAOYSA-N 1 0 305.422 3.292 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000353911757 434523284 /nfs/dbraw/zinc/52/32/84/434523284.db2.gz NGAVHKKLWINZGI-LBPRGKRZSA-N 1 0 322.409 3.009 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC000353924155 434529376 /nfs/dbraw/zinc/52/93/76/434529376.db2.gz PSWQHDGIMOMRLW-CYBMUJFWSA-N 1 0 310.357 3.402 20 5 DGBDRO Cc1cc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])on1 ZINC000353946766 434541906 /nfs/dbraw/zinc/54/19/06/434541906.db2.gz JOQYEQCHFOLMIA-GFCCVEGCSA-N 1 0 303.362 3.045 20 5 DGBDRO [NH3+]CCN(Cc1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000348893747 434546288 /nfs/dbraw/zinc/54/62/88/434546288.db2.gz MCLQQVLPFQKITQ-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO Cc1cc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000408278851 434558589 /nfs/dbraw/zinc/55/85/89/434558589.db2.gz YRZACERHHJBBRD-ZNMIVQPWSA-N 1 0 318.421 3.140 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(C)(C)C1 ZINC000525859105 295038351 /nfs/dbraw/zinc/03/83/51/295038351.db2.gz YIRXZUBHGBNKIY-LBPRGKRZSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000360338134 434582695 /nfs/dbraw/zinc/58/26/95/434582695.db2.gz OYQDRDLOAQEHPP-IATRGZMQSA-N 1 0 319.405 3.336 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261854576 295343442 /nfs/dbraw/zinc/34/34/42/295343442.db2.gz DWQMGJFSDGAOBQ-AWEZNQCLSA-N 1 0 317.776 3.138 20 5 DGBDRO CC(C)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000459584930 434621669 /nfs/dbraw/zinc/62/16/69/434621669.db2.gz BKRVMHYMKPOCOH-UHFFFAOYSA-N 1 0 316.405 3.029 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)CCO ZINC000349201415 434635623 /nfs/dbraw/zinc/63/56/23/434635623.db2.gz KQJKSNPLCCTRNK-QWHCGFSZSA-N 1 0 312.435 3.216 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)OC ZINC000349202537 434636949 /nfs/dbraw/zinc/63/69/49/434636949.db2.gz PCEMCTCZPJJHQB-STQMWFEESA-N 1 0 312.435 3.480 20 5 DGBDRO Cc1cccc2oc(CC[NH2+]Cc3cccc([N+](=O)[O-])c3)nc21 ZINC000410349973 434641852 /nfs/dbraw/zinc/64/18/52/434641852.db2.gz CTUFKEZNTCCCRO-UHFFFAOYSA-N 1 0 311.341 3.377 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(C)C ZINC000349250652 434648913 /nfs/dbraw/zinc/64/89/13/434648913.db2.gz ZOGNXRNYZUEYQI-GXTWGEPZSA-N 1 0 312.435 3.072 20 5 DGBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000349245955 434649351 /nfs/dbraw/zinc/64/93/51/434649351.db2.gz IWYOEKGWFSDMCY-KCQAQPDRSA-N 1 0 321.421 3.127 20 5 DGBDRO CCOC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000459676278 434658706 /nfs/dbraw/zinc/65/87/06/434658706.db2.gz NKYGWDQEKGUXPJ-DYLHUKMJSA-N 1 0 304.390 3.499 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1O ZINC000349341335 434679402 /nfs/dbraw/zinc/67/94/02/434679402.db2.gz AUXJEGYZGFBMDZ-WBMJQRKESA-N 1 0 316.357 3.058 20 5 DGBDRO C/C=C/C[C@H](CO)[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000349357152 434690497 /nfs/dbraw/zinc/69/04/97/434690497.db2.gz TUSYMFLYYWKKQB-KBUVRSHFSA-N 1 0 324.446 3.382 20 5 DGBDRO CCC(C)(C)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440483519 434706507 /nfs/dbraw/zinc/70/65/07/434706507.db2.gz DBGSVHNBOGVWFZ-CYBMUJFWSA-N 1 0 306.410 3.302 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cs1 ZINC000459778652 434716216 /nfs/dbraw/zinc/71/62/16/434716216.db2.gz YXSGVTAKDPOXRV-UONOGXRCSA-N 1 0 310.419 3.029 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459780916 434719341 /nfs/dbraw/zinc/71/93/41/434719341.db2.gz LWQUXNYHLDLQLA-YOSLTCIPSA-N 1 0 302.374 3.155 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459786034 434719437 /nfs/dbraw/zinc/71/94/37/434719437.db2.gz PLRLXMHJAKUHBG-VHDGCEQUSA-N 1 0 317.389 3.010 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459787644 434720455 /nfs/dbraw/zinc/72/04/55/434720455.db2.gz PQGNTVYJMCJRDH-DAXOMENPSA-N 1 0 304.390 3.073 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000459807631 434728442 /nfs/dbraw/zinc/72/84/42/434728442.db2.gz RGZWXIQTYHCXOM-OCCSQVGLSA-N 1 0 319.405 3.480 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000360961682 434743733 /nfs/dbraw/zinc/74/37/33/434743733.db2.gz STTBYTTZEDDDJN-LBPRGKRZSA-N 1 0 323.441 3.042 20 5 DGBDRO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]2O1 ZINC000440966596 434760607 /nfs/dbraw/zinc/76/06/07/434760607.db2.gz RPUUCRVDWSDPLX-HZPDHXFCSA-N 1 0 320.389 3.006 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1cncs1)C1CC1 ZINC000411400767 434772840 /nfs/dbraw/zinc/77/28/40/434772840.db2.gz OQEZFIBQSZUOKO-UHFFFAOYSA-N 1 0 303.387 3.258 20 5 DGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000411482156 434785780 /nfs/dbraw/zinc/78/57/80/434785780.db2.gz AEMNDOICMMZPRV-CQSZACIVSA-N 1 0 307.394 3.338 20 5 DGBDRO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@@H]1C[C@H]1c1cccc(F)c1)CC2 ZINC000411482634 434788324 /nfs/dbraw/zinc/78/83/24/434788324.db2.gz TXRDQTDGLFMSMY-DOTOQJQBSA-N 1 0 313.332 3.043 20 5 DGBDRO C[C@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000453149023 434817198 /nfs/dbraw/zinc/81/71/98/434817198.db2.gz KHCHVVCSXSMCHH-BBRMVZONSA-N 1 0 314.389 3.410 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCc3cncs3)C2)cc1 ZINC000411797132 434831334 /nfs/dbraw/zinc/83/13/34/434831334.db2.gz WMJMVXHRXQSNLS-AWEZNQCLSA-N 1 0 317.414 3.473 20 5 DGBDRO CCC[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000453253869 434842323 /nfs/dbraw/zinc/84/23/23/434842323.db2.gz QBHLOFLRPJXBIF-CVEARBPZSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000412046209 434860917 /nfs/dbraw/zinc/86/09/17/434860917.db2.gz QRFHEKDYTCFGLP-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C12CCC2 ZINC000573265934 434885434 /nfs/dbraw/zinc/88/54/34/434885434.db2.gz NQZGUSJHGLTTKN-VNQPRFMTSA-N 1 0 302.374 3.129 20 5 DGBDRO CC[N@@H+]1CC[C@@H](N(C)c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000461947799 434893123 /nfs/dbraw/zinc/89/31/23/434893123.db2.gz KXVRJYRMHXXZGY-CHWSQXEVSA-N 1 0 309.385 3.351 20 5 DGBDRO CC1CCC(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000554525890 434932528 /nfs/dbraw/zinc/93/25/28/434932528.db2.gz PBHVESXVVVMBAO-UHFFFAOYSA-N 1 0 319.405 3.339 20 5 DGBDRO CCOc1cc(C[N@H+](CCCO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000492611291 435021536 /nfs/dbraw/zinc/02/15/36/435021536.db2.gz ZWKNUWAQYBGNEZ-UHFFFAOYSA-N 1 0 324.421 3.224 20 5 DGBDRO CC(C)C1([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000556234339 435001845 /nfs/dbraw/zinc/00/18/45/435001845.db2.gz WTEWUNPVDIDIHU-GFCCVEGCSA-N 1 0 305.378 3.090 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000578183832 435065211 /nfs/dbraw/zinc/06/52/11/435065211.db2.gz NDMWIKHIVOXWHL-LBPRGKRZSA-N 1 0 307.394 3.330 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1([NH+](C)C)CCCC1 ZINC000531689094 435110740 /nfs/dbraw/zinc/11/07/40/435110740.db2.gz SSSZJLQEYDJVMB-AWEZNQCLSA-N 1 0 305.422 3.428 20 5 DGBDRO CC(C)(C)CC[C@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000475676566 435207451 /nfs/dbraw/zinc/20/74/51/435207451.db2.gz KEZWWEBERCATSN-PMGBHYCQSA-N 1 0 306.406 3.385 20 5 DGBDRO C[NH+](C)CC1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000579977577 435197126 /nfs/dbraw/zinc/19/71/26/435197126.db2.gz GRJQOKGKPNACLS-MRXNPFEDSA-N 1 0 317.433 3.294 20 5 DGBDRO CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579611715 435169735 /nfs/dbraw/zinc/16/97/35/435169735.db2.gz OSCFDAMGROTIGA-CQSZACIVSA-N 1 0 320.389 3.294 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000560582321 435182829 /nfs/dbraw/zinc/18/28/29/435182829.db2.gz OWTWHESHSGCYAL-GJZGRUSLSA-N 1 0 305.422 3.428 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000580326355 435224215 /nfs/dbraw/zinc/22/42/15/435224215.db2.gz OXCCXNPWZZBVMO-DYEKYZERSA-N 1 0 323.368 3.182 20 5 DGBDRO [NH3+]C[C@H]1CC[C@H](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000583866387 435248928 /nfs/dbraw/zinc/24/89/28/435248928.db2.gz DAZPRXNFVBVZME-HDJSIYSDSA-N 1 0 314.389 3.223 20 5 DGBDRO C[C@H](CC(C)(C)O)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296659055 298325353 /nfs/dbraw/zinc/32/53/53/298325353.db2.gz ZPOMEZVWWRDKDH-IUODEOHRSA-N 1 0 306.406 3.055 20 5 DGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000497117325 435299774 /nfs/dbraw/zinc/29/97/74/435299774.db2.gz UMUMSBGGJISXID-NUZZVJGCSA-N 1 0 304.390 3.091 20 5 DGBDRO CCOC(=O)[C@H](CC(C)C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511143342 435315213 /nfs/dbraw/zinc/31/52/13/435315213.db2.gz QLFLWYGTAHMLKJ-INIZCTEOSA-N 1 0 322.405 3.047 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000535264652 435326935 /nfs/dbraw/zinc/32/69/35/435326935.db2.gz GFRJHGSPVZSTSM-MRXNPFEDSA-N 1 0 313.357 3.202 20 5 DGBDRO C[C@H](C[NH+]1CCCCCC1)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000479605228 435342652 /nfs/dbraw/zinc/34/26/52/435342652.db2.gz XENLCTHZUVEMDO-XAVKZTDYSA-N 1 0 317.433 3.462 20 5 DGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000479872110 435357394 /nfs/dbraw/zinc/35/73/94/435357394.db2.gz IQEZBKFFNRBJSZ-KRWDZBQOSA-N 1 0 322.405 3.361 20 5 DGBDRO COC(=O)C(C)(C)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000512502187 435361189 /nfs/dbraw/zinc/36/11/89/435361189.db2.gz WGKICNCQHKPIRF-JLHYYAGUSA-N 1 0 320.389 3.177 20 5 DGBDRO CN(CC[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000511110057 435313342 /nfs/dbraw/zinc/31/33/42/435313342.db2.gz TZNWJXBACFYSGT-UHFFFAOYSA-N 1 0 313.401 3.206 20 5 DGBDRO CCN(CC[NH+]1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000567379925 435313283 /nfs/dbraw/zinc/31/32/83/435313283.db2.gz ODNTYYVQSHDBLN-UHFFFAOYSA-N 1 0 305.422 3.293 20 5 DGBDRO C[N@H+](CCc1ccccc1F)CCc1ccccc1[N+](=O)[O-] ZINC000511120433 435313949 /nfs/dbraw/zinc/31/39/49/435313949.db2.gz HQGDJVFTFSQGKM-UHFFFAOYSA-N 1 0 302.349 3.451 20 5 DGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000536859052 435417402 /nfs/dbraw/zinc/41/74/02/435417402.db2.gz QFYGKOHPNHMOQN-OCCSQVGLSA-N 1 0 316.405 3.395 20 5 DGBDRO COc1cccc2c1CC[C@@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000482490890 435468062 /nfs/dbraw/zinc/46/80/62/435468062.db2.gz OPOMNSJNHSHWLG-KRWDZBQOSA-N 1 0 312.369 3.423 20 5 DGBDRO Cc1cc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000537828677 435468748 /nfs/dbraw/zinc/46/87/48/435468748.db2.gz ZDUGSGNNTOOZNG-OAHLLOKOSA-N 1 0 303.406 3.071 20 5 DGBDRO CN(C)[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000537212924 435430004 /nfs/dbraw/zinc/43/00/04/435430004.db2.gz YSSLOFFYKGGBBY-KQQSKNTNSA-N 1 0 315.373 3.094 20 5 DGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000481686879 435438374 /nfs/dbraw/zinc/43/83/74/435438374.db2.gz PKHXGGJHTUEHTC-QGZVFWFLSA-N 1 0 322.405 3.361 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC(C)=C(C)C2)c([N+](=O)[O-])c1 ZINC000483383717 435515589 /nfs/dbraw/zinc/51/55/89/435515589.db2.gz ZRWMIILPNZHQAW-UHFFFAOYSA-N 1 0 306.362 3.024 20 5 DGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000538725759 435517442 /nfs/dbraw/zinc/51/74/42/435517442.db2.gz VKUQJYFVYRRINF-WCQYABFASA-N 1 0 308.378 3.232 20 5 DGBDRO CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482866025 435486540 /nfs/dbraw/zinc/48/65/40/435486540.db2.gz DTTBFNPZJRTJEE-HUUCEWRRSA-N 1 0 305.422 3.428 20 5 DGBDRO Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000516906713 435559601 /nfs/dbraw/zinc/55/96/01/435559601.db2.gz ORFKSYOZVKUGCK-GJZGRUSLSA-N 1 0 318.377 3.009 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548285225 435680772 /nfs/dbraw/zinc/68/07/72/435680772.db2.gz PWRADVGGWFSLIR-UHFFFAOYSA-N 1 0 305.422 3.460 20 5 DGBDRO Cc1cccc(OCC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549170476 435743847 /nfs/dbraw/zinc/74/38/47/435743847.db2.gz CSZABKPKTUWYJU-UHFFFAOYSA-N 1 0 314.385 3.457 20 5 DGBDRO Cc1cccc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000549199748 435747628 /nfs/dbraw/zinc/74/76/28/435747628.db2.gz KUJFJYBVSYLMOV-XNRPHZJLSA-N 1 0 303.406 3.070 20 5 DGBDRO Cc1cccc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000549199747 435749954 /nfs/dbraw/zinc/74/99/54/435749954.db2.gz KUJFJYBVSYLMOV-JGGQBBKZSA-N 1 0 303.406 3.070 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCC12CCOCC2 ZINC000548791377 435720162 /nfs/dbraw/zinc/72/01/62/435720162.db2.gz DQVFMGMKYMPXAU-HNNXBMFYSA-N 1 0 324.808 3.340 20 5 DGBDRO CCc1ccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000533334183 313612752 /nfs/dbraw/zinc/61/27/52/313612752.db2.gz TZRWKMIBDSYRPW-QGZVFWFLSA-N 1 0 316.405 3.341 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000536850760 313787493 /nfs/dbraw/zinc/78/74/93/313787493.db2.gz GUANJPQGCOEHAQ-GXTWGEPZSA-N 1 0 319.405 3.480 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000536850764 313788641 /nfs/dbraw/zinc/78/86/41/313788641.db2.gz GUANJPQGCOEHAQ-JSGCOSHPSA-N 1 0 319.405 3.480 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000536862804 313789017 /nfs/dbraw/zinc/78/90/17/313789017.db2.gz IIFIQTHFCRWUFQ-QGZVFWFLSA-N 1 0 316.332 3.390 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOc1ncccc1F ZINC000537946493 313841294 /nfs/dbraw/zinc/84/12/94/313841294.db2.gz HVGFFTJUPWENCP-LBPRGKRZSA-N 1 0 319.336 3.167 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000537988812 313843951 /nfs/dbraw/zinc/84/39/51/313843951.db2.gz WAYZGSIZBRRECU-AWEZNQCLSA-N 1 0 306.406 3.322 20 5 DGBDRO CC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000540184883 313951685 /nfs/dbraw/zinc/95/16/85/313951685.db2.gz XVZVEQUBYRWOQF-RDJZCZTQSA-N 1 0 306.406 3.322 20 5 DGBDRO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000542322273 314069897 /nfs/dbraw/zinc/06/98/97/314069897.db2.gz SLUVYAQZRYOZNX-ZDUSSCGKSA-N 1 0 319.405 3.291 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000542319144 314070150 /nfs/dbraw/zinc/07/01/50/314070150.db2.gz CSPCXGAPCZDSJS-STQMWFEESA-N 1 0 319.405 3.290 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000542319141 314070409 /nfs/dbraw/zinc/07/04/09/314070409.db2.gz CSPCXGAPCZDSJS-QWHCGFSZSA-N 1 0 319.405 3.290 20 5 DGBDRO Cc1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000546016097 314284681 /nfs/dbraw/zinc/28/46/81/314284681.db2.gz PNEYXGOQBOWSDN-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO CO[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000550895958 314545205 /nfs/dbraw/zinc/54/52/05/314545205.db2.gz ZGFBZLRDYJUKDL-QILLFSRXSA-N 1 0 318.417 3.321 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000554139475 314668261 /nfs/dbraw/zinc/66/82/61/314668261.db2.gz HCDIXBJEPYRWOT-HRCADAONSA-N 1 0 320.433 3.304 20 5 DGBDRO O=C(CC[NH2+]CCCC1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000554527720 314686281 /nfs/dbraw/zinc/68/62/81/314686281.db2.gz ZOMAZXZNPBJKGF-UHFFFAOYSA-N 1 0 319.405 3.483 20 5 DGBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000560890807 314947629 /nfs/dbraw/zinc/94/76/29/314947629.db2.gz GAXJEQAPDAHQNH-UHFFFAOYSA-N 1 0 317.433 3.482 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000563704385 315132564 /nfs/dbraw/zinc/13/25/64/315132564.db2.gz YKLYEBXNDICSDW-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000564225103 315163490 /nfs/dbraw/zinc/16/34/90/315163490.db2.gz CPUNSEYWJIKLHG-CGTJXYLNSA-N 1 0 316.401 3.377 20 5 DGBDRO CCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000564611600 315186245 /nfs/dbraw/zinc/18/62/45/315186245.db2.gz JEFJGPWIDMDOLI-CQSZACIVSA-N 1 0 319.405 3.496 20 5 DGBDRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564853919 315205690 /nfs/dbraw/zinc/20/56/90/315205690.db2.gz HWPGXXYOUZONIA-KGLIPLIRSA-N 1 0 324.421 3.139 20 5 DGBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CO1 ZINC000564961199 315214817 /nfs/dbraw/zinc/21/48/17/315214817.db2.gz NQERSSMZUSKFKJ-NWDGAFQWSA-N 1 0 302.330 3.122 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCOCC(F)(F)F ZINC000568901139 315544487 /nfs/dbraw/zinc/54/44/87/315544487.db2.gz MZSFBOFACPYXCX-GFCCVEGCSA-N 1 0 318.295 3.141 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@H](F)C2)n1 ZINC000571208246 315704242 /nfs/dbraw/zinc/70/42/42/315704242.db2.gz MCYOAROQEHWCCJ-RFQIPJPRSA-N 1 0 310.373 3.145 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CO1 ZINC000575122779 316035512 /nfs/dbraw/zinc/03/55/12/316035512.db2.gz CHPVNGFLVKZHJK-RPVQJOFSSA-N 1 0 312.369 3.451 20 5 DGBDRO CC(C)(CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000576391858 316125156 /nfs/dbraw/zinc/12/51/56/316125156.db2.gz ZBPQULLJIQJUFC-UHFFFAOYSA-N 1 0 319.405 3.339 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CCOCC1 ZINC000179854734 323215549 /nfs/dbraw/zinc/21/55/49/323215549.db2.gz IFSKPZFYZPPIQD-ZDUSSCGKSA-N 1 0 322.405 3.287 20 5 DGBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000180006001 323219930 /nfs/dbraw/zinc/21/99/30/323219930.db2.gz BHRIAVLNFCEFHP-MRXNPFEDSA-N 1 0 316.405 3.137 20 5 DGBDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180395891 323228747 /nfs/dbraw/zinc/22/87/47/323228747.db2.gz GUIJPZRAMHWQQV-CYBMUJFWSA-N 1 0 313.357 3.193 20 5 DGBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000182420366 323298051 /nfs/dbraw/zinc/29/80/51/323298051.db2.gz HRNXOUWYPKXHIU-HNNXBMFYSA-N 1 0 303.362 3.483 20 5 DGBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182632612 323306536 /nfs/dbraw/zinc/30/65/36/323306536.db2.gz MPLPKKLFVWJMQC-JTQLQIEISA-N 1 0 314.769 3.022 20 5 DGBDRO CCC(CC)[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192854616 323459763 /nfs/dbraw/zinc/45/97/63/323459763.db2.gz RJMQQYOHFISGSS-IAGOWNOFSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000580326354 323984159 /nfs/dbraw/zinc/98/41/59/323984159.db2.gz OXCCXNPWZZBVMO-BZPMIXESSA-N 1 0 323.368 3.182 20 5 DGBDRO CC(C)(C)CC[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580464776 324002300 /nfs/dbraw/zinc/00/23/00/324002300.db2.gz WVVMDZYKLYLKCN-SWLSCSKDSA-N 1 0 306.406 3.359 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)C1CCCCC1 ZINC000582991385 324299279 /nfs/dbraw/zinc/29/92/79/324299279.db2.gz NDKDAUIRFUVOBX-ZDUSSCGKSA-N 1 0 319.405 3.400 20 5 DGBDRO CC(C)n1cc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000583526596 324365766 /nfs/dbraw/zinc/36/57/66/324365766.db2.gz SMDLQPQGZBZTJJ-CYBMUJFWSA-N 1 0 318.377 3.102 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000584027504 331586532 /nfs/dbraw/zinc/58/65/32/331586532.db2.gz SFMXHDVDGJUCHO-GFCCVEGCSA-N 1 0 310.357 3.332 20 5 DGBDRO CC[C@H](C)C[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584227236 331870465 /nfs/dbraw/zinc/87/04/65/331870465.db2.gz LBUGNABCOUOKQN-QWHCGFSZSA-N 1 0 307.394 3.338 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CC[NH+]1CCCC1 ZINC000584378379 337232811 /nfs/dbraw/zinc/23/28/11/337232811.db2.gz HXYIPUMZOUYPID-NTCAYCPXSA-N 1 0 303.406 3.026 20 5 DGBDRO C[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000218478587 337326383 /nfs/dbraw/zinc/32/63/83/337326383.db2.gz GAZSHKOOVTZNNS-IOASZLSFSA-N 1 0 319.405 3.338 20 5 DGBDRO CSC[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000292459006 533734159 /nfs/dbraw/zinc/73/41/59/533734159.db2.gz QFBJMHBRCJJGQW-CYBMUJFWSA-N 1 0 310.419 3.049 20 5 DGBDRO C[C@@H](C[NH+]1CCCCCC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000302479424 533826604 /nfs/dbraw/zinc/82/66/04/533826604.db2.gz XWEHJRHOROMURK-NSHDSACASA-N 1 0 312.801 3.320 20 5 DGBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000414489912 533885317 /nfs/dbraw/zinc/88/53/17/533885317.db2.gz WIMLVWVMQWGEQN-OCCSQVGLSA-N 1 0 320.389 3.225 20 5 DGBDRO CS[C@@H]1CCCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000441110381 533942484 /nfs/dbraw/zinc/94/24/84/533942484.db2.gz HEDFMFGXNZZQSY-OAHLLOKOSA-N 1 0 310.419 3.191 20 5 DGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000443504672 533978684 /nfs/dbraw/zinc/97/86/84/533978684.db2.gz YQZYBNAZEUDDTE-STQMWFEESA-N 1 0 321.421 3.301 20 5 DGBDRO C[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000413079262 534099000 /nfs/dbraw/zinc/09/90/00/534099000.db2.gz YSNNVXJEWNZMBO-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000413119512 534099721 /nfs/dbraw/zinc/09/97/21/534099721.db2.gz OKORYEJGLSIYBG-NSHDSACASA-N 1 0 300.362 3.038 20 5 DGBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330812046 534176014 /nfs/dbraw/zinc/17/60/14/534176014.db2.gz AZHHIKYZQXLIKX-BXUZGUMPSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161491842 518189959 /nfs/dbraw/zinc/18/99/59/518189959.db2.gz DOFSDIMVULFTHS-GDBMZVCRSA-N 1 0 314.385 3.330 20 5 DGBDRO Cc1ccnc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301296652 534401895 /nfs/dbraw/zinc/40/18/95/534401895.db2.gz PHNZFAGLYTUOOW-BETUJISGSA-N 1 0 306.410 3.078 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000339396907 519229209 /nfs/dbraw/zinc/22/92/09/519229209.db2.gz ZRHUXYUMUZMQJI-LLVKDONJSA-N 1 0 310.741 3.344 20 5 DGBDRO COc1cc(N2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000152438411 522634120 /nfs/dbraw/zinc/63/41/20/522634120.db2.gz HLRURKLSXHBSDI-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000322725260 534882511 /nfs/dbraw/zinc/88/25/11/534882511.db2.gz RYSHNCULIGFMBU-CHWSQXEVSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435726078 534887367 /nfs/dbraw/zinc/88/73/67/534887367.db2.gz LNZYMSLATSCAMJ-KRWDZBQOSA-N 1 0 317.433 3.482 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429289452 534885617 /nfs/dbraw/zinc/88/56/17/534885617.db2.gz CJTXAKDHXOOYKB-LLVKDONJSA-N 1 0 318.760 3.211 20 5 DGBDRO CC(C)(CC[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000302439617 527032192 /nfs/dbraw/zinc/03/21/92/527032192.db2.gz RBYRQTKDONYXPL-UHFFFAOYSA-N 1 0 306.410 3.446 20 5 DGBDRO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444620280 527295670 /nfs/dbraw/zinc/29/56/70/527295670.db2.gz NBXXILHGRCOHHL-UHFFFAOYSA-N 1 0 310.357 3.496 20 5 DGBDRO CCC[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000302103634 527788961 /nfs/dbraw/zinc/78/89/61/527788961.db2.gz WEYWHHRTNITWHK-CQSZACIVSA-N 1 0 315.373 3.457 20 5 DGBDRO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000428464254 528092678 /nfs/dbraw/zinc/09/26/78/528092678.db2.gz UXGBFICFVVWLBF-NVXWUHKLSA-N 1 0 306.406 3.454 20 5 DGBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000428117302 528113875 /nfs/dbraw/zinc/11/38/75/528113875.db2.gz SPMXNRNFJIXNJP-UHFFFAOYSA-N 1 0 317.336 3.340 20 5 DGBDRO CC1=CC[N@H+](CCNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413229810 528120166 /nfs/dbraw/zinc/12/01/66/528120166.db2.gz KRTVMCXSKSTJRQ-UHFFFAOYSA-N 1 0 312.373 3.207 20 5 DGBDRO CCOc1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433810327 528326937 /nfs/dbraw/zinc/32/69/37/528326937.db2.gz ZPARZDWSGWOILM-HNNXBMFYSA-N 1 0 319.405 3.422 20 5 DGBDRO CCC(CC)(CCO)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294976537 528646901 /nfs/dbraw/zinc/64/69/01/528646901.db2.gz ZVVHRPAXWZPTDK-LBPRGKRZSA-N 1 0 309.410 3.016 20 5 DGBDRO CCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435390297 528796290 /nfs/dbraw/zinc/79/62/90/528796290.db2.gz AWOINZWKGZCVDK-CYBMUJFWSA-N 1 0 311.813 3.212 20 5 DGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413310527 528833092 /nfs/dbraw/zinc/83/30/92/528833092.db2.gz NOCYYFMHPGWPDZ-VIFPVBQESA-N 1 0 320.315 3.149 20 5 DGBDRO CCC[C@@H]([NH2+]C1CCN(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421878524 529003221 /nfs/dbraw/zinc/00/32/21/529003221.db2.gz NLYOFKAFMREOPC-MRXNPFEDSA-N 1 0 307.394 3.051 20 5 DGBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413181786 529099077 /nfs/dbraw/zinc/09/90/77/529099077.db2.gz KAILRTSWPLZVAT-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO CC[N@@H+]1CCC[C@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413026458 529106917 /nfs/dbraw/zinc/10/69/17/529106917.db2.gz VIGWXEXOBQSIBW-AWEZNQCLSA-N 1 0 300.362 3.039 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1OC ZINC000429292838 529108357 /nfs/dbraw/zinc/10/83/57/529108357.db2.gz YIFZUANCIHJLDO-CABCVRRESA-N 1 0 310.369 3.417 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413119191 529343949 /nfs/dbraw/zinc/34/39/49/529343949.db2.gz WWKOJONVZUTITP-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449162685 534939415 /nfs/dbraw/zinc/93/94/15/534939415.db2.gz SSLMQHOMNKWFIQ-RHSMWYFYSA-N 1 0 308.422 3.303 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000451471583 535072781 /nfs/dbraw/zinc/07/27/81/535072781.db2.gz PRZAXLBSYJBSNL-OWYVNGRQSA-N 1 0 310.781 3.151 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470175710 535663947 /nfs/dbraw/zinc/66/39/47/535663947.db2.gz RREJSTYIDIJCBV-VHUCWBOISA-N 1 0 317.433 3.414 20 5 DGBDRO CO[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449497920 536678326 /nfs/dbraw/zinc/67/83/26/536678326.db2.gz KSJKYYZSRNAVJJ-BYPLOIIRSA-N 1 0 304.390 3.355 20 5 DGBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000731678711 574556783 /nfs/dbraw/zinc/55/67/83/574556783.db2.gz OJSBERFAYPVGBT-LYRGGWFBSA-N 1 0 316.357 3.134 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000732917842 574587500 /nfs/dbraw/zinc/58/75/00/574587500.db2.gz PPUMVBLRENANHI-HWPZZCPQSA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000742154488 574841920 /nfs/dbraw/zinc/84/19/20/574841920.db2.gz KIYLIZCTVSXTGJ-OLZOCXBDSA-N 1 0 302.378 3.413 20 5 DGBDRO CC(C)CC[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899260 575192856 /nfs/dbraw/zinc/19/28/56/575192856.db2.gz DTDNGLRZHLUSEU-UHFFFAOYSA-N 1 0 302.378 3.394 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000740887031 574945000 /nfs/dbraw/zinc/94/50/00/574945000.db2.gz OMUQQLZYYFJLIF-GJZGRUSLSA-N 1 0 310.369 3.369 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](CCO)c2cccs2)cc1[N+](=O)[O-] ZINC000740900765 574945630 /nfs/dbraw/zinc/94/56/30/574945630.db2.gz XZUOZOYNVSFGEC-CYBMUJFWSA-N 1 0 306.387 3.178 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCO[C@H]21 ZINC000741255671 574954505 /nfs/dbraw/zinc/95/45/05/574954505.db2.gz IHZNEZOPBQNDAM-LERXQTSPSA-N 1 0 310.781 3.151 20 5 DGBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cn1nccc1[N+](=O)[O-] ZINC000742178568 574983971 /nfs/dbraw/zinc/98/39/71/574983971.db2.gz XCZCIHBRSZNTSV-MRXNPFEDSA-N 1 0 316.405 3.400 20 5 DGBDRO C[C@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+]1C ZINC000742412028 574997573 /nfs/dbraw/zinc/99/75/73/574997573.db2.gz MQOUTGXCWLRTRQ-UWVGGRQHSA-N 1 0 306.391 3.099 20 5 DGBDRO C[C@H]1CCC[N@@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000742425954 574999312 /nfs/dbraw/zinc/99/93/12/574999312.db2.gz RIEMKQONQYTLNG-JTQLQIEISA-N 1 0 306.391 3.101 20 5 DGBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000743499974 575054777 /nfs/dbraw/zinc/05/47/77/575054777.db2.gz RVQUGQPBAYXOTL-JQWIXIFHSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1cccc2c1CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000729480296 575252625 /nfs/dbraw/zinc/25/26/25/575252625.db2.gz TXUCQYKXAMTUPZ-UHFFFAOYSA-N 1 0 312.369 3.340 20 5 DGBDRO Cc1nn(CN(CCc2ccccc2)C2CC2)c(C)c1[N+](=O)[O-] ZINC000746022846 575427411 /nfs/dbraw/zinc/42/74/11/575427411.db2.gz JASNXQUJLVGEQH-UHFFFAOYSA-N 1 0 314.389 3.073 20 5 DGBDRO CC[NH+]1CCC(N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746655333 575466712 /nfs/dbraw/zinc/46/67/12/575466712.db2.gz OXDGFOZNCVDMFT-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746669481 575468262 /nfs/dbraw/zinc/46/82/62/575468262.db2.gz DJSJUJQCPUALQY-CABCVRRESA-N 1 0 312.797 3.374 20 5 DGBDRO Cc1cc(N2CCC(C[NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000747211945 575506269 /nfs/dbraw/zinc/50/62/69/575506269.db2.gz UJRSQCHXKDBAPI-UHFFFAOYSA-N 1 0 311.813 3.335 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000748267828 575577122 /nfs/dbraw/zinc/57/71/22/575577122.db2.gz CEJDJZOXJJYFST-SJORKVTESA-N 1 0 316.332 3.044 20 5 DGBDRO Cc1nn(C[NH+](CC(C)C)CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000748450230 575587418 /nfs/dbraw/zinc/58/74/18/575587418.db2.gz XQBLJMGBZSXHAN-UHFFFAOYSA-N 1 0 319.409 3.219 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000749687198 575672532 /nfs/dbraw/zinc/67/25/32/575672532.db2.gz IDKGHVVEZWRJPU-SJORKVTESA-N 1 0 316.332 3.044 20 5 DGBDRO CSc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749688305 575672697 /nfs/dbraw/zinc/67/26/97/575672697.db2.gz LMMKMHJCJIROGU-INIZCTEOSA-N 1 0 318.398 3.140 20 5 DGBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749692931 575673079 /nfs/dbraw/zinc/67/30/79/575673079.db2.gz UOWVNDONUZQFIP-MSOLQXFVSA-N 1 0 312.369 3.214 20 5 DGBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749692933 575673105 /nfs/dbraw/zinc/67/31/05/575673105.db2.gz UOWVNDONUZQFIP-QZTJIDSGSA-N 1 0 312.369 3.214 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000749841335 575682603 /nfs/dbraw/zinc/68/26/03/575682603.db2.gz WMZPOAGMNQXZIN-KBPBESRZSA-N 1 0 312.369 3.497 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000749841338 575682730 /nfs/dbraw/zinc/68/27/30/575682730.db2.gz WMZPOAGMNQXZIN-ZIAGYGMSSA-N 1 0 312.369 3.497 20 5 DGBDRO Cc1nn(C[N@H+]2CCC[C@H]2CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749949219 575691165 /nfs/dbraw/zinc/69/11/65/575691165.db2.gz LYCKSEXRWBPDPS-ZDUSSCGKSA-N 1 0 317.393 3.116 20 5 DGBDRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000750037882 575699499 /nfs/dbraw/zinc/69/94/99/575699499.db2.gz SIQFMDRDPJJJNT-ACJLOTCBSA-N 1 0 312.369 3.248 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000750094618 575703268 /nfs/dbraw/zinc/70/32/68/575703268.db2.gz DQLURCBZORPQOU-MRXNPFEDSA-N 1 0 316.332 3.046 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C3CCC3)C2)cc1 ZINC000852674152 620639771 /nfs/dbraw/zinc/63/97/71/620639771.db2.gz XWXQDPHORJFCIW-WBVHZDCISA-N 1 0 304.390 3.140 20 5 DGBDRO Cc1noc(CSCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000853019305 620660953 /nfs/dbraw/zinc/66/09/53/620660953.db2.gz NQLLBAZNIPMPCE-UHFFFAOYSA-N 1 0 301.412 3.243 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000918197879 620700429 /nfs/dbraw/zinc/70/04/29/620700429.db2.gz ODUHNDGSYOIJBE-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO C[C@@H]([N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C(C)(C)C ZINC000853489638 620700761 /nfs/dbraw/zinc/70/07/61/620700761.db2.gz GJBDAYCMUAWNOJ-GFCCVEGCSA-N 1 0 317.393 3.177 20 5 DGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000804840348 617699163 /nfs/dbraw/zinc/69/91/63/617699163.db2.gz DPYYTEDKPBNIMC-UHFFFAOYSA-N 1 0 303.362 3.146 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000853851618 620745350 /nfs/dbraw/zinc/74/53/50/620745350.db2.gz XRAPWKGSSBBRKH-CYBMUJFWSA-N 1 0 304.394 3.117 20 5 DGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000804841623 617708897 /nfs/dbraw/zinc/70/88/97/617708897.db2.gz XFRQALDSHULOIP-UHFFFAOYSA-N 1 0 321.352 3.285 20 5 DGBDRO COc1c(O)ccc(C[N@H+]([C@@H](C)C(C)C)C2CC2)c1[N+](=O)[O-] ZINC000891438740 617798763 /nfs/dbraw/zinc/79/87/63/617798763.db2.gz SZHIZQPLPWPORY-NSHDSACASA-N 1 0 308.378 3.318 20 5 DGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000919964350 620775080 /nfs/dbraw/zinc/77/50/80/620775080.db2.gz HCDINBWSGXGWSP-UHFFFAOYSA-N 1 0 317.414 3.021 20 5 DGBDRO Cc1cc(-c2noc(C[C@@H](C[NH3+])CC(C)C)n2)cc([N+](=O)[O-])c1 ZINC000854161664 620776211 /nfs/dbraw/zinc/77/62/11/620776211.db2.gz WXZHPOHZDFTHMS-LBPRGKRZSA-N 1 0 318.377 3.117 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854227520 620786734 /nfs/dbraw/zinc/78/67/34/620786734.db2.gz UWBJWEMJRLENOR-HWPZZCPQSA-N 1 0 312.373 3.097 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1C[C@]1(C)Br)c1ccc([N+](=O)[O-])cc1 ZINC000894657769 618414766 /nfs/dbraw/zinc/41/47/66/618414766.db2.gz OQQQDSKWIRHCOQ-NDMJEZRESA-N 1 0 313.195 3.419 20 5 DGBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893267124 618491475 /nfs/dbraw/zinc/49/14/75/618491475.db2.gz SDYRPZKVDWPPLX-QMTHXVAHSA-N 1 0 324.764 3.443 20 5 DGBDRO C[C@H](CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[NH+](C)C ZINC000895291678 618588712 /nfs/dbraw/zinc/58/87/12/618588712.db2.gz ATPWZZBBKCFTKQ-SECBINFHSA-N 1 0 320.220 3.331 20 5 DGBDRO C[C@H](CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000895290441 618588828 /nfs/dbraw/zinc/58/88/28/618588828.db2.gz IQGMSQYBGDQEDF-SNVBAGLBSA-N 1 0 319.327 3.043 20 5 DGBDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000894056455 618700995 /nfs/dbraw/zinc/70/09/95/618700995.db2.gz HXMYMEZMPZXBSO-ZYHUDNBSSA-N 1 0 320.418 3.235 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC4(C3)CCCC4)nc2c1 ZINC000894056992 618701432 /nfs/dbraw/zinc/70/14/32/618701432.db2.gz TTWCAWLQJWILDI-UHFFFAOYSA-N 1 0 300.362 3.284 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(O)c(F)c1 ZINC000894273424 618748687 /nfs/dbraw/zinc/74/86/87/618748687.db2.gz QFNNNUPEPQNIHB-UHFFFAOYSA-N 1 0 304.321 3.114 20 5 DGBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000895659113 618813529 /nfs/dbraw/zinc/81/35/29/618813529.db2.gz SKUGNLQSALQEQI-INIZCTEOSA-N 1 0 300.358 3.197 20 5 DGBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCOC1 ZINC000895664216 618814279 /nfs/dbraw/zinc/81/42/79/618814279.db2.gz RATFQQJBPMIUGL-YPMHNXCESA-N 1 0 319.361 3.031 20 5 DGBDRO CCN1CC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000895670044 618816061 /nfs/dbraw/zinc/81/60/61/618816061.db2.gz AFWJWFKVQDOPEW-LLVKDONJSA-N 1 0 318.204 3.085 20 5 DGBDRO COc1ccc(F)cc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000895806394 618833426 /nfs/dbraw/zinc/83/34/26/618833426.db2.gz ZCMBIKXUUOGMEG-UHFFFAOYSA-N 1 0 318.348 3.117 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1Cl ZINC000895845738 618840813 /nfs/dbraw/zinc/84/08/13/618840813.db2.gz IDXYQPULVJVJDI-SWLSCSKDSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895869625 618844908 /nfs/dbraw/zinc/84/49/08/618844908.db2.gz GTQZKQPUAANYRB-XVNBXDOJSA-N 1 0 316.401 3.283 20 5 DGBDRO Cc1cc(N[C@H](CC[NH+](C)C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000895892755 618846786 /nfs/dbraw/zinc/84/67/86/618846786.db2.gz QXXBXGDPWOPNFF-MRXNPFEDSA-N 1 0 314.389 3.403 20 5 DGBDRO COc1cc(NC2CCC(C)([NH+]3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000896256322 618892622 /nfs/dbraw/zinc/89/26/22/618892622.db2.gz VVEWIQJEKRNMGW-UHFFFAOYSA-N 1 0 319.405 3.422 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cnn(C)c1 ZINC000897081243 619012290 /nfs/dbraw/zinc/01/22/90/619012290.db2.gz MDTOGJONFUASCC-HNNXBMFYSA-N 1 0 322.796 3.469 20 5 DGBDRO CCc1onc(C)c1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459127 619129927 /nfs/dbraw/zinc/12/99/27/619129927.db2.gz HSACGGOXGVMNMH-NSHDSACASA-N 1 0 303.362 3.347 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000897459899 619130338 /nfs/dbraw/zinc/13/03/38/619130338.db2.gz PIMBHLSEWSHJOD-FXUDXRNXSA-N 1 0 318.417 3.493 20 5 DGBDRO COCc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897465872 619130629 /nfs/dbraw/zinc/13/06/29/619130629.db2.gz JVLBBLJTZNILDE-GFCCVEGCSA-N 1 0 304.346 3.228 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897533616 619150653 /nfs/dbraw/zinc/15/06/53/619150653.db2.gz ILDYLBBNDDMKME-SRCQZFHVSA-N 1 0 304.390 3.113 20 5 DGBDRO CC1(C)C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000897793305 619183160 /nfs/dbraw/zinc/18/31/60/619183160.db2.gz LSIVXHPUQULUGJ-SNVBAGLBSA-N 1 0 321.402 3.500 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000898204620 619221200 /nfs/dbraw/zinc/22/12/00/619221200.db2.gz XVJTXSXCZBFCTD-ZVZYQTTQSA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1ncccc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000898252535 619228487 /nfs/dbraw/zinc/22/84/87/619228487.db2.gz DNHDKNLYJCAJER-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO Cc1ncccc1CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000898257329 619233083 /nfs/dbraw/zinc/23/30/83/619233083.db2.gz SDPKCRBAVBLZEL-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000923885903 619250038 /nfs/dbraw/zinc/25/00/38/619250038.db2.gz JMEIQMYXSHCMEX-AWEZNQCLSA-N 1 0 316.361 3.499 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927159693 619303853 /nfs/dbraw/zinc/30/38/53/619303853.db2.gz QDHTXYYDISJGTG-GOEBONIOSA-N 1 0 302.374 3.273 20 5 DGBDRO CCNc1ccccc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000902125331 619593369 /nfs/dbraw/zinc/59/33/69/619593369.db2.gz QEBKMJIJGDTGPQ-UHFFFAOYSA-N 1 0 315.373 3.325 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000902895381 619689600 /nfs/dbraw/zinc/68/96/00/619689600.db2.gz YMUADXCUTSHKOM-QHLLOBJKSA-N 1 0 302.374 3.059 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2nc(C)cs2)cc([N+](=O)[O-])c1 ZINC000903065963 619709502 /nfs/dbraw/zinc/70/95/02/619709502.db2.gz JLJHGWUWZVGLIO-LLVKDONJSA-N 1 0 321.402 3.262 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC2(CCO)CCCC2)cc([N+](=O)[O-])c1 ZINC000903103904 619717140 /nfs/dbraw/zinc/71/71/40/619717140.db2.gz BEAATSLJMDNRPP-ZDUSSCGKSA-N 1 0 322.405 3.197 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903097613 619720081 /nfs/dbraw/zinc/72/00/81/619720081.db2.gz GZBSSPHFMFDTPS-SMDDNHRTSA-N 1 0 310.394 3.051 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000903127851 619722541 /nfs/dbraw/zinc/72/25/41/619722541.db2.gz MVFBXDORYOCKLD-XFBWCDHKSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2OC)cc([N+](=O)[O-])c1 ZINC000903130531 619722865 /nfs/dbraw/zinc/72/28/65/619722865.db2.gz CRQYUQRBXIAXKU-MQIPJXDCSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc([N+](=O)[O-])c1 ZINC000903154737 619726371 /nfs/dbraw/zinc/72/63/71/619726371.db2.gz VLRBDDAJLSQLQN-BXUZGUMPSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC[C@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000903147790 619728903 /nfs/dbraw/zinc/72/89/03/619728903.db2.gz NHWRHALNMMLLKK-IUODEOHRSA-N 1 0 308.378 3.213 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2scnc2C)cc([N+](=O)[O-])c1 ZINC000903179230 619730941 /nfs/dbraw/zinc/73/09/41/619730941.db2.gz OKUFCDSZZJQCHZ-JTQLQIEISA-N 1 0 321.402 3.262 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2ncccc2C)cc([N+](=O)[O-])c1 ZINC000903178928 619730994 /nfs/dbraw/zinc/73/09/94/619730994.db2.gz KCGPBQXHVCCLPP-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H](C)c2ccccn2)cc([N+](=O)[O-])c1 ZINC000903195842 619733974 /nfs/dbraw/zinc/73/39/74/619733974.db2.gz BIVCFEYWGRAUKK-QWHCGFSZSA-N 1 0 315.373 3.453 20 5 DGBDRO C[C@H]([NH2+]CC(C)(C)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903244276 619743274 /nfs/dbraw/zinc/74/32/74/619743274.db2.gz QCSSBICODMBGAX-LBPRGKRZSA-N 1 0 321.421 3.280 20 5 DGBDRO Cc1nccnc1[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245856 619743970 /nfs/dbraw/zinc/74/39/70/619743970.db2.gz PAKVEDQXKGRRFW-YPMHNXCESA-N 1 0 300.362 3.148 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(C3(O)CCC3)CC1)CCC2 ZINC000903257897 619746140 /nfs/dbraw/zinc/74/61/40/619746140.db2.gz MUOHHELGMKATSO-MRXNPFEDSA-N 1 0 316.401 3.257 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000903247076 619748070 /nfs/dbraw/zinc/74/80/70/619748070.db2.gz YIKDHRAGUVGRFU-WFASDCNBSA-N 1 0 302.378 3.173 20 5 DGBDRO C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000903265795 619748955 /nfs/dbraw/zinc/74/89/55/619748955.db2.gz SWRXOGCHELFGSH-XUJVJEKNSA-N 1 0 310.369 3.326 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCOC12CCCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903269336 619749638 /nfs/dbraw/zinc/74/96/38/619749638.db2.gz WCIHXJDECWDTRW-LRDDRELGSA-N 1 0 319.405 3.319 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CCO)C1CCCC1 ZINC000903296176 619752687 /nfs/dbraw/zinc/75/26/87/619752687.db2.gz HHXSBLFITLVHOT-LRDDRELGSA-N 1 0 322.405 3.195 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CCCC2 ZINC000903286254 619754119 /nfs/dbraw/zinc/75/41/19/619754119.db2.gz FPXFXTNQIKNOPV-YLALRLGGSA-N 1 0 314.385 3.128 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000903286680 619754448 /nfs/dbraw/zinc/75/44/48/619754448.db2.gz DYVHQORPQPBMCO-UNIGVISCSA-N 1 0 320.389 3.223 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000903286644 619754461 /nfs/dbraw/zinc/75/44/61/619754461.db2.gz DYVHQORPQPBMCO-LMWOUKEDSA-N 1 0 320.389 3.223 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@]2(OC(C)C)CCOC2)cccc1[N+](=O)[O-] ZINC000903360358 619765146 /nfs/dbraw/zinc/76/51/46/619765146.db2.gz JNUJEHUIRWVMAJ-WMLDXEAASA-N 1 0 322.405 3.138 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@]2(OC(C)C)CCOC2)cccc1[N+](=O)[O-] ZINC000903360357 619765231 /nfs/dbraw/zinc/76/52/31/619765231.db2.gz JNUJEHUIRWVMAJ-RHSMWYFYSA-N 1 0 322.405 3.138 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@@H](O)C1CC1)CCCC2 ZINC000903406211 619771284 /nfs/dbraw/zinc/77/12/84/619771284.db2.gz HKKPACDXNNVNKV-IAGOWNOFSA-N 1 0 304.390 3.113 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000903439826 619775505 /nfs/dbraw/zinc/77/55/05/619775505.db2.gz IGNDIOYYRLBRGO-NXOUGTEYSA-N 1 0 312.369 3.212 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000903440964 619775724 /nfs/dbraw/zinc/77/57/24/619775724.db2.gz WQZLPZSJCYPQFI-COLVAYQJSA-N 1 0 322.430 3.392 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000903440965 619775736 /nfs/dbraw/zinc/77/57/36/619775736.db2.gz WQZLPZSJCYPQFI-LKTVYLICSA-N 1 0 322.430 3.392 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000903483028 619781051 /nfs/dbraw/zinc/78/10/51/619781051.db2.gz BHXFWDRQNFMTPQ-AWEZNQCLSA-N 1 0 309.797 3.013 20 5 DGBDRO Cc1c(-c2noc(C[N@@H+](C)CC(C)(C)C)n2)cccc1[N+](=O)[O-] ZINC000904085667 619873485 /nfs/dbraw/zinc/87/34/85/619873485.db2.gz BQCBAYIDYVBNBX-UHFFFAOYSA-N 1 0 318.377 3.431 20 5 DGBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000905092384 619973071 /nfs/dbraw/zinc/97/30/71/619973071.db2.gz DHJIHOUZDQWOJH-GFCCVEGCSA-N 1 0 321.377 3.193 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCSC3(CCC3)C2)c1 ZINC000905600272 620008624 /nfs/dbraw/zinc/00/86/24/620008624.db2.gz JCKPKBQDYXDWHU-DZGCQCFKSA-N 1 0 322.430 3.036 20 5 DGBDRO C[C@H](C[NH2+]C[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000905644456 620016137 /nfs/dbraw/zinc/01/61/37/620016137.db2.gz QLDKYZSCSZVUCH-DYVFJYSZSA-N 1 0 300.358 3.022 20 5 DGBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000905644458 620016245 /nfs/dbraw/zinc/01/62/45/620016245.db2.gz QLDKYZSCSZVUCH-SUMWQHHRSA-N 1 0 300.358 3.022 20 5 DGBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000905644886 620016256 /nfs/dbraw/zinc/01/62/56/620016256.db2.gz SXMKQWWWSQUMPU-SJCJKPOMSA-N 1 0 318.348 3.161 20 5 DGBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000905644457 620016286 /nfs/dbraw/zinc/01/62/86/620016286.db2.gz QLDKYZSCSZVUCH-GUYCJALGSA-N 1 0 300.358 3.022 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000905645303 620016306 /nfs/dbraw/zinc/01/63/06/620016306.db2.gz WBEFWAAGKAIRPO-KSSFIOAISA-N 1 0 314.385 3.330 20 5 DGBDRO Cn1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c(Cl)n1 ZINC000856771273 621018234 /nfs/dbraw/zinc/01/82/34/621018234.db2.gz BLCZWVHVPDRGPR-UHFFFAOYSA-N 1 0 322.796 3.094 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922455835 621040014 /nfs/dbraw/zinc/04/00/14/621040014.db2.gz QAMQYSVPHRKYBH-AAEUAGOBSA-N 1 0 318.295 3.103 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2c(C)cc(CO)cc2C)cc1[N+](=O)[O-] ZINC000922559762 621055560 /nfs/dbraw/zinc/05/55/60/621055560.db2.gz GXOQQHCISLTKOT-UHFFFAOYSA-N 1 0 314.385 3.302 20 5 DGBDRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1C ZINC000922556409 621057171 /nfs/dbraw/zinc/05/71/71/621057171.db2.gz GXHKYNBUVPRZQO-SWLSCSKDSA-N 1 0 315.373 3.037 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000922565455 621058180 /nfs/dbraw/zinc/05/81/80/621058180.db2.gz BQLNOQGMQFLERC-QGZVFWFLSA-N 1 0 318.348 3.040 20 5 DGBDRO CO[C@]1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000922571727 621058593 /nfs/dbraw/zinc/05/85/93/621058593.db2.gz GAQJXYOQMBKMSG-RQPMMQJISA-N 1 0 322.430 3.110 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922676544 621079052 /nfs/dbraw/zinc/07/90/52/621079052.db2.gz AXUBXKCYCUQFHI-AAEUAGOBSA-N 1 0 318.295 3.184 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000922696295 621083497 /nfs/dbraw/zinc/08/34/97/621083497.db2.gz LPBAIKWVXKJZHH-LYYDLTQRSA-N 1 0 302.374 3.157 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000922697770 621084171 /nfs/dbraw/zinc/08/41/71/621084171.db2.gz VDKDLPSDUSFWRC-QWHCGFSZSA-N 1 0 318.295 3.184 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000922814635 621103001 /nfs/dbraw/zinc/10/30/01/621103001.db2.gz YXTMJRVDJXHCMK-CQSZACIVSA-N 1 0 320.389 3.185 20 5 DGBDRO CC1(C)C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C(C)(C)O1 ZINC000922949420 621136250 /nfs/dbraw/zinc/13/62/50/621136250.db2.gz XQTBJPZXHNKFJA-LBPRGKRZSA-N 1 0 310.369 3.417 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(c3ccccc3)CCCO2)cs1 ZINC000922958869 621138364 /nfs/dbraw/zinc/13/83/64/621138364.db2.gz BFOJEINXLPLWJZ-INIZCTEOSA-N 1 0 318.398 3.452 20 5 DGBDRO CCC[C@@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000858477731 621196362 /nfs/dbraw/zinc/19/63/62/621196362.db2.gz XQZOFWSQIFGTSI-GOEBONIOSA-N 1 0 318.373 3.287 20 5 DGBDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000858503869 621198824 /nfs/dbraw/zinc/19/88/24/621198824.db2.gz HMKWIKATXBXZIJ-HOCLYGCPSA-N 1 0 318.373 3.287 20 5 DGBDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000858505281 621199354 /nfs/dbraw/zinc/19/93/54/621199354.db2.gz HSLTUPGHKNZNJC-TZMCWYRMSA-N 1 0 318.373 3.206 20 5 DGBDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000858505279 621199423 /nfs/dbraw/zinc/19/94/23/621199423.db2.gz HSLTUPGHKNZNJC-JSGCOSHPSA-N 1 0 318.373 3.206 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1(CO)CCCC1 ZINC000839073519 621322663 /nfs/dbraw/zinc/32/26/63/621322663.db2.gz MVWUFBXOEJIMJY-INIZCTEOSA-N 1 0 324.396 3.401 20 5 DGBDRO OC[C@]1(O)CCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000839151824 621334456 /nfs/dbraw/zinc/33/44/56/621334456.db2.gz CUWOCKMSRJCXNJ-NRFANRHFSA-N 1 0 321.420 3.312 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000839140619 621340109 /nfs/dbraw/zinc/34/01/09/621340109.db2.gz RXKHNQPOFKQMEM-AWEZNQCLSA-N 1 0 310.781 3.128 20 5 DGBDRO C/C=C\C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860182726 621378673 /nfs/dbraw/zinc/37/86/73/621378673.db2.gz BRJZIUBQKRAVMV-FNGHRWMPSA-N 1 0 304.390 3.306 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)c1ccccc1)C1CC1 ZINC000117899157 621466139 /nfs/dbraw/zinc/46/61/39/621466139.db2.gz WXWUVPISQMUOMF-SFHVURJKSA-N 1 0 312.369 3.293 20 5 DGBDRO Cc1ccc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000754060986 621483833 /nfs/dbraw/zinc/48/38/33/621483833.db2.gz HMVWARHBJSCINV-HNNXBMFYSA-N 1 0 303.406 3.071 20 5 DGBDRO Cc1c(CN2CC[N@@H+](C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000864010621 621726662 /nfs/dbraw/zinc/72/66/62/621726662.db2.gz HDDBFKULFYILEE-UHFFFAOYSA-N 1 0 311.385 3.355 20 5 DGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000757797338 621740297 /nfs/dbraw/zinc/74/02/97/621740297.db2.gz VINCTHCUNHZYHP-TVQRCGJNSA-N 1 0 318.402 3.099 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865502664 621937490 /nfs/dbraw/zinc/93/74/90/621937490.db2.gz MMSUOCVFQNBWPI-UHFFFAOYSA-N 1 0 313.348 3.499 20 5 DGBDRO Cc1c(C[NH2+]Cc2cc(F)ccc2N(C)C)cccc1[N+](=O)[O-] ZINC000865543280 621948079 /nfs/dbraw/zinc/94/80/79/621948079.db2.gz YQCZBLWLJNHYSC-UHFFFAOYSA-N 1 0 317.364 3.398 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CCSC1 ZINC000865654516 621972142 /nfs/dbraw/zinc/97/21/42/621972142.db2.gz OOZBPJKXARZMLN-GFCCVEGCSA-N 1 0 310.419 3.226 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865727600 621984696 /nfs/dbraw/zinc/98/46/96/621984696.db2.gz BXWROKHXNHJLLN-LLVKDONJSA-N 1 0 313.348 3.453 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865874871 622013539 /nfs/dbraw/zinc/01/35/39/622013539.db2.gz KLLAUKBLHAENJV-OOYWPUHTSA-N 1 0 304.390 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2CO)cc1Cl ZINC000761523028 622014108 /nfs/dbraw/zinc/01/41/08/622014108.db2.gz PRPIQUQUFVFNFU-UHFFFAOYSA-N 1 0 306.749 3.030 20 5 DGBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000762137955 622056487 /nfs/dbraw/zinc/05/64/87/622056487.db2.gz AGXATRWEKUQZMK-GFCCVEGCSA-N 1 0 300.362 3.167 20 5 DGBDRO Cc1cc(N2C[C@H](O)CC(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866229324 622070922 /nfs/dbraw/zinc/07/09/22/622070922.db2.gz KVGAVFBUNFEFMW-CYBMUJFWSA-N 1 0 315.373 3.049 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866264630 622079609 /nfs/dbraw/zinc/07/96/09/622079609.db2.gz CAHRMKZYTNYIFX-MQIPJXDCSA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CCO)CCCC1 ZINC000866276142 622082981 /nfs/dbraw/zinc/08/29/81/622082981.db2.gz MAAWBNFKLBMMTF-ZDUSSCGKSA-N 1 0 324.396 3.197 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000866284974 622084705 /nfs/dbraw/zinc/08/47/05/622084705.db2.gz JFWLSFTVEHROKQ-UPJWGTAASA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000866284976 622084808 /nfs/dbraw/zinc/08/48/08/622084808.db2.gz JFWLSFTVEHROKQ-XQQFMLRXSA-N 1 0 310.369 3.070 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000866289781 622086206 /nfs/dbraw/zinc/08/62/06/622086206.db2.gz LHGLPULOPBTIGI-SRCQZFHVSA-N 1 0 324.396 3.458 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cs1 ZINC000762615554 622086553 /nfs/dbraw/zinc/08/65/53/622086553.db2.gz OUORFFYYSDMDAI-SCVCMEIPSA-N 1 0 316.473 3.126 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000866307349 622089567 /nfs/dbraw/zinc/08/95/67/622089567.db2.gz YPIDBIJSYWFZME-WFASDCNBSA-N 1 0 322.380 3.356 20 5 DGBDRO CC(C)SCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866355769 622101843 /nfs/dbraw/zinc/10/18/43/622101843.db2.gz DGXZHVYWDQBRLP-LLVKDONJSA-N 1 0 300.399 3.396 20 5 DGBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000866371450 622105310 /nfs/dbraw/zinc/10/53/10/622105310.db2.gz MJNNLUAZCNOKNB-RYUDHWBXSA-N 1 0 320.368 3.232 20 5 DGBDRO COC1CC(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866385924 622108010 /nfs/dbraw/zinc/10/80/10/622108010.db2.gz SRQGHQVJPCORFE-XIKARTHZSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC1(C)C ZINC000866391967 622109305 /nfs/dbraw/zinc/10/93/05/622109305.db2.gz ULEIMAXKVQYIOF-YPMHNXCESA-N 1 0 310.369 3.070 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H]1CCSC1 ZINC000866402579 622112146 /nfs/dbraw/zinc/11/21/46/622112146.db2.gz KTRVZPOGJIEXMN-RYUDHWBXSA-N 1 0 310.419 3.397 20 5 DGBDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000866456455 622121455 /nfs/dbraw/zinc/12/14/55/622121455.db2.gz ZCAHJHKOOWVCPX-IUCAKERBSA-N 1 0 306.391 3.354 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000866508906 622129275 /nfs/dbraw/zinc/12/92/75/622129275.db2.gz SCRFKZPFWJPIJW-MJEQTWJJSA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1cccc([N+](=O)[O-])c1 ZINC000866562368 622138883 /nfs/dbraw/zinc/13/88/83/622138883.db2.gz RPAVWIYYNPMLMX-ACJLOTCBSA-N 1 0 311.385 3.432 20 5 DGBDRO C[C@H]1C[C@H](N(C)c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000764157280 622182358 /nfs/dbraw/zinc/18/23/58/622182358.db2.gz LZXANJUBMLWYKH-QWHCGFSZSA-N 1 0 314.389 3.062 20 5 DGBDRO Cc1nn(C[N@H+]2CCC[C@H](C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764945140 622234940 /nfs/dbraw/zinc/23/49/40/622234940.db2.gz MZOKAUOUYRHCHK-LBPRGKRZSA-N 1 0 302.378 3.332 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2C2CCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764970031 622236722 /nfs/dbraw/zinc/23/67/22/622236722.db2.gz DVOXVLQAOZMNHB-INIZCTEOSA-N 1 0 314.389 3.475 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC3(CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765038613 622241668 /nfs/dbraw/zinc/24/16/68/622241668.db2.gz MSEKPEVRBYXKKG-UHFFFAOYSA-N 1 0 314.389 3.477 20 5 DGBDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765850672 622291217 /nfs/dbraw/zinc/29/12/17/622291217.db2.gz ZCMDXNMXKMFRLS-KBXCAEBGSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000766141926 622309106 /nfs/dbraw/zinc/30/91/06/622309106.db2.gz OFUKOBNYMVNGRL-SWLSCSKDSA-N 1 0 304.346 3.189 20 5 DGBDRO C[C@H]1C[NH+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000769448437 622528799 /nfs/dbraw/zinc/52/87/99/622528799.db2.gz QJULEDNGKDOBHJ-UWVGGRQHSA-N 1 0 313.195 3.445 20 5 DGBDRO Cc1cc(C)cc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000769845057 622567623 /nfs/dbraw/zinc/56/76/23/622567623.db2.gz DFQVRTIGLUWDDA-SFHVURJKSA-N 1 0 314.385 3.377 20 5 DGBDRO CCc1noc(C)c1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000769875100 622570548 /nfs/dbraw/zinc/57/05/48/622570548.db2.gz SBVFAPVKFULHOH-LLVKDONJSA-N 1 0 303.362 3.347 20 5 DGBDRO C/C(=C/C(=O)OCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000770409920 622630733 /nfs/dbraw/zinc/63/07/33/622630733.db2.gz AXGMIUPUQUKFSV-YPKPFQOOSA-N 1 0 318.373 3.027 20 5 DGBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC[NH+]1CCCCC1 ZINC000770413140 622631831 /nfs/dbraw/zinc/63/18/31/622631831.db2.gz XOSQVJQZSPSNMW-BUHFOSPRSA-N 1 0 318.373 3.027 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021699 622756542 /nfs/dbraw/zinc/75/65/42/622756542.db2.gz SPYLFJSZNPRCST-BMIGLBTASA-N 1 0 322.311 3.257 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872024937 622759078 /nfs/dbraw/zinc/75/90/78/622759078.db2.gz XNBJIKFMHKMESS-QWHCGFSZSA-N 1 0 309.385 3.116 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872024939 622759233 /nfs/dbraw/zinc/75/92/33/622759233.db2.gz XNBJIKFMHKMESS-STQMWFEESA-N 1 0 309.385 3.116 20 5 DGBDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872027940 622760527 /nfs/dbraw/zinc/76/05/27/622760527.db2.gz GYEMDSKZQBQEJG-IUCAKERBSA-N 1 0 324.274 3.352 20 5 DGBDRO C[C@@H](NCC[N@H+](C)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034982 622765909 /nfs/dbraw/zinc/76/59/09/622765909.db2.gz SYLDOVGNGXPSJM-GFCCVEGCSA-N 1 0 309.385 3.259 20 5 DGBDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038965 622767768 /nfs/dbraw/zinc/76/77/68/622767768.db2.gz QARVJTRWGANXKD-BONVTDFDSA-N 1 0 324.377 3.354 20 5 DGBDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872042034 622770867 /nfs/dbraw/zinc/77/08/67/622770867.db2.gz MGEVHAXENNCVJW-RYUDHWBXSA-N 1 0 312.435 3.376 20 5 DGBDRO CCOC(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)OCC ZINC000123921834 622775892 /nfs/dbraw/zinc/77/58/92/622775892.db2.gz WOSCYXKVVWRMDK-UHFFFAOYSA-N 1 0 310.394 3.204 20 5 DGBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000872050809 622776272 /nfs/dbraw/zinc/77/62/72/622776272.db2.gz FTPIERUVXMKRON-ZBFHGGJFSA-N 1 0 306.406 3.321 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000872063997 622785042 /nfs/dbraw/zinc/78/50/42/622785042.db2.gz UZUXVMCXAXMJQY-QCZZGDTMSA-N 1 0 310.419 3.127 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H](C)CCO ZINC000872073983 622790388 /nfs/dbraw/zinc/79/03/88/622790388.db2.gz AFOYWQBTDBELOD-VXGBXAGGSA-N 1 0 312.435 3.376 20 5 DGBDRO Cc1ccncc1CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083676 622795478 /nfs/dbraw/zinc/79/54/78/622795478.db2.gz DKVIGGCIXHIENK-GFCCVEGCSA-N 1 0 303.337 3.331 20 5 DGBDRO C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087885 622798468 /nfs/dbraw/zinc/79/84/68/622798468.db2.gz LQOFNDHOBAAIAR-CHWSQXEVSA-N 1 0 309.385 3.116 20 5 DGBDRO Cc1nccnc1[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000872132037 622825537 /nfs/dbraw/zinc/82/55/37/622825537.db2.gz BJEONKIGUIAISY-OCCSQVGLSA-N 1 0 314.389 3.365 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)c1ccsc1 ZINC000873057814 623026939 /nfs/dbraw/zinc/02/69/39/623026939.db2.gz CDLUOUYHWPXMMM-HNNXBMFYSA-N 1 0 306.387 3.096 20 5 DGBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873096708 623035007 /nfs/dbraw/zinc/03/50/07/623035007.db2.gz VVNOXKFWIQECHR-JTQLQIEISA-N 1 0 303.362 3.401 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873155417 623053985 /nfs/dbraw/zinc/05/39/85/623053985.db2.gz FMRRNPPURNMJJQ-FJXZEZAHSA-N 1 0 302.374 3.155 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(N)cc(F)c1 ZINC000873289179 623104967 /nfs/dbraw/zinc/10/49/67/623104967.db2.gz QJOKTJWWPVBESU-LBPRGKRZSA-N 1 0 317.364 3.427 20 5 DGBDRO CC1(O)CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000774212423 623120948 /nfs/dbraw/zinc/12/09/48/623120948.db2.gz ISYKTGIEQSBIBW-PWZRNIHTSA-N 1 0 304.390 3.255 20 5 DGBDRO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@@H](C4CC4)C3)c2c(Cl)c1 ZINC000774641135 623169259 /nfs/dbraw/zinc/16/92/59/623169259.db2.gz XYPOBEABBJZBHP-LLVKDONJSA-N 1 0 320.780 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3ccccc3F)CC2)cc1 ZINC000775448263 623275767 /nfs/dbraw/zinc/27/57/67/623275767.db2.gz IDVNUKQXAMQGFX-UHFFFAOYSA-N 1 0 316.332 3.392 20 5 DGBDRO CCCC[NH+]1CCC(NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000125143257 623336819 /nfs/dbraw/zinc/33/68/19/623336819.db2.gz ZSLUGTNOKXSZHE-UHFFFAOYSA-N 1 0 305.422 3.257 20 5 DGBDRO CCC[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000125199272 623381741 /nfs/dbraw/zinc/38/17/41/623381741.db2.gz XVDADVCFOCXGML-CABCVRRESA-N 1 0 304.346 3.352 20 5 DGBDRO C[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000776578629 623442181 /nfs/dbraw/zinc/44/21/81/623442181.db2.gz HMNHXDWOFNGSAS-UGSOOPFHSA-N 1 0 312.369 3.248 20 5 DGBDRO CC(C)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584295 623443279 /nfs/dbraw/zinc/44/32/79/623443279.db2.gz KJMOSKXPLBIJJO-RHSMWYFYSA-N 1 0 306.406 3.386 20 5 DGBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587483 623443866 /nfs/dbraw/zinc/44/38/66/623443866.db2.gz IBJNYTJLQMATCB-QCPWZWHMSA-N 1 0 304.390 3.281 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C1(C)CC1 ZINC000776881884 623473354 /nfs/dbraw/zinc/47/33/54/623473354.db2.gz ABQYJEYXSJRXFC-RYUDHWBXSA-N 1 0 305.378 3.090 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cscc2Cl)cc1 ZINC000777445401 623526826 /nfs/dbraw/zinc/52/68/26/623526826.db2.gz JYODXPGSPATXTA-ZDUSSCGKSA-N 1 0 312.778 3.133 20 5 DGBDRO CC[N@H+](CC1CC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955511 623589972 /nfs/dbraw/zinc/58/99/72/623589972.db2.gz MVJAKVXSAVCKOM-UHFFFAOYSA-N 1 0 300.362 3.148 20 5 DGBDRO C[C@H]1C[C@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000778994775 623717911 /nfs/dbraw/zinc/71/79/11/623717911.db2.gz KTYOUQUNNOXBDT-NWDGAFQWSA-N 1 0 312.797 3.495 20 5 DGBDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877007322 623765010 /nfs/dbraw/zinc/76/50/10/623765010.db2.gz LZTQCDLWYIYRRO-BCAXMMLOSA-N 1 0 306.410 3.299 20 5 DGBDRO CCC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccn1 ZINC000877012948 623765965 /nfs/dbraw/zinc/76/59/65/623765965.db2.gz HHCMPYSMRGUMFP-SEEARECTSA-N 1 0 315.377 3.021 20 5 DGBDRO Cc1cccc([C@H](C)C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877061761 623779508 /nfs/dbraw/zinc/77/95/08/623779508.db2.gz RZZFNFCREJAJJF-IUDNXUCKSA-N 1 0 314.389 3.197 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000779860903 623823013 /nfs/dbraw/zinc/82/30/13/623823013.db2.gz KOTPDGJZISUVOP-INIZCTEOSA-N 1 0 314.389 3.073 20 5 DGBDRO CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877558328 623941040 /nfs/dbraw/zinc/94/10/40/623941040.db2.gz DCYAJHGXIHYUNB-DNDYEEKYSA-N 1 0 306.410 3.301 20 5 DGBDRO CSCC1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877560754 623941623 /nfs/dbraw/zinc/94/16/23/623941623.db2.gz AEBZNOBODWHPEK-UHFFFAOYSA-N 1 0 324.450 3.006 20 5 DGBDRO CO[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1(C)C ZINC000877566473 623944879 /nfs/dbraw/zinc/94/48/79/623944879.db2.gz ZEKTWKXQWSNQQG-INIZCTEOSA-N 1 0 306.406 3.459 20 5 DGBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCC(F)CC1 ZINC000877636486 623972624 /nfs/dbraw/zinc/97/26/24/623972624.db2.gz YNIKPMCAILEENR-ZGCIAEMCSA-N 1 0 310.373 3.001 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877739902 624012793 /nfs/dbraw/zinc/01/27/93/624012793.db2.gz ICUWQCJBQPBBGK-JRIYGVKESA-N 1 0 315.417 3.024 20 5 DGBDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000877814175 624046407 /nfs/dbraw/zinc/04/64/07/624046407.db2.gz VJFDFHOEVOCURB-CYBMUJFWSA-N 1 0 303.387 3.349 20 5 DGBDRO CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000877928331 624096542 /nfs/dbraw/zinc/09/65/42/624096542.db2.gz RWJRASWOYYRZOS-GFCCVEGCSA-N 1 0 316.361 3.267 20 5 DGBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878088348 624162903 /nfs/dbraw/zinc/16/29/03/624162903.db2.gz MTQOBHDEGXEEPA-RYUDHWBXSA-N 1 0 316.361 3.408 20 5 DGBDRO CC1(C)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000782487130 624256487 /nfs/dbraw/zinc/25/64/87/624256487.db2.gz CUZWZEHLUGUQGT-UHFFFAOYSA-N 1 0 323.368 3.185 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C ZINC000127391264 624377061 /nfs/dbraw/zinc/37/70/61/624377061.db2.gz CBKRPHSGOVEINX-GTJPDFRWSA-N 1 0 312.435 3.101 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CCO)CCCCC2)cc1Cl ZINC000783638202 624378413 /nfs/dbraw/zinc/37/84/13/624378413.db2.gz KQBMHGHWYGWCQK-UHFFFAOYSA-N 1 0 312.797 3.423 20 5 DGBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000790934578 625717043 /nfs/dbraw/zinc/71/70/43/625717043.db2.gz NBFSWPLNJYQZBP-WCQYABFASA-N 1 0 312.797 3.374 20 5 DGBDRO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC(C)(C)C1 ZINC000784008711 624419428 /nfs/dbraw/zinc/41/94/28/624419428.db2.gz OBSHLUAEBJHJTL-LBPRGKRZSA-N 1 0 302.378 3.270 20 5 DGBDRO CC[NH+](CC)CCOC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000784256670 624466960 /nfs/dbraw/zinc/46/69/60/624466960.db2.gz LLOXVFLXCRJNKF-UHFFFAOYSA-N 1 0 308.378 3.217 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784579614 624551522 /nfs/dbraw/zinc/55/15/22/624551522.db2.gz WQWRLAARNBPYSL-UONOGXRCSA-N 1 0 320.389 3.131 20 5 DGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000805769209 624587737 /nfs/dbraw/zinc/58/77/37/624587737.db2.gz TXCDQPUUDRQTMG-IUODEOHRSA-N 1 0 323.824 3.307 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](CF)C3)co2)cc1 ZINC000880297552 624900043 /nfs/dbraw/zinc/90/00/43/624900043.db2.gz PMEDBYJQJJPWBQ-NSHDSACASA-N 1 0 305.309 3.041 20 5 DGBDRO Cc1c(C[N@@H+]2CC[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000880316159 624912255 /nfs/dbraw/zinc/91/22/55/624912255.db2.gz DQXHDUNICITIJC-ZDUSSCGKSA-N 1 0 303.387 3.349 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)c(F)c1 ZINC000880316814 624914440 /nfs/dbraw/zinc/91/44/40/624914440.db2.gz HQCZNWSDXSSOCN-NSHDSACASA-N 1 0 307.350 3.180 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c(F)c1 ZINC000880316813 624914656 /nfs/dbraw/zinc/91/46/56/624914656.db2.gz HQCZNWSDXSSOCN-LLVKDONJSA-N 1 0 307.350 3.180 20 5 DGBDRO C[NH+](C)CCN(c1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000786555414 624920495 /nfs/dbraw/zinc/92/04/95/624920495.db2.gz RAVZZCQDTSGVAH-UHFFFAOYSA-N 1 0 313.348 3.184 20 5 DGBDRO C[C@H]1c2sccc2CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880377122 624943518 /nfs/dbraw/zinc/94/35/18/624943518.db2.gz OQGAJLWRFIQVMF-XHDPSFHLSA-N 1 0 318.398 3.309 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)c1ccccc1 ZINC000786808557 624955536 /nfs/dbraw/zinc/95/55/36/624955536.db2.gz KAMOHAJSPDVLIN-MDNBWPLSSA-N 1 0 312.369 3.321 20 5 DGBDRO CCc1cc(C[NH2+]CC(C)=Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000786814527 624955958 /nfs/dbraw/zinc/95/59/58/624955958.db2.gz PEHTUEVZTORFKW-KPKJPENVSA-N 1 0 300.362 3.073 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(C)(O)CC1 ZINC000786813603 624956162 /nfs/dbraw/zinc/95/61/62/624956162.db2.gz CZHHNPIFBTVWSL-RAXLEYEMSA-N 1 0 304.390 3.281 20 5 DGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000880459611 624960814 /nfs/dbraw/zinc/96/08/14/624960814.db2.gz IDIMRSXBKFPBIN-QGZVFWFLSA-N 1 0 300.358 3.150 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@]23CCCO3)ccc1[N+](=O)[O-] ZINC000880501551 624967556 /nfs/dbraw/zinc/96/75/56/624967556.db2.gz GCYVXZNQBVSWCP-SJORKVTESA-N 1 0 320.389 3.185 20 5 DGBDRO CSC(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000788439853 625171681 /nfs/dbraw/zinc/17/16/81/625171681.db2.gz ZCDAXEUUTFRUJG-NWDGAFQWSA-N 1 0 312.439 3.006 20 5 DGBDRO COc1ccccc1CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788480957 625193521 /nfs/dbraw/zinc/19/35/21/625193521.db2.gz CYTASFRPJDFSSJ-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO C[C@@H](NCC[N@H+](C)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562097 625216801 /nfs/dbraw/zinc/21/68/01/625216801.db2.gz FSWDVOZOIMGIOU-CYBMUJFWSA-N 1 0 320.437 3.092 20 5 DGBDRO Cc1nc(C)c(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000788590806 625221525 /nfs/dbraw/zinc/22/15/25/625221525.db2.gz GXNIFIMXQYMTOI-VIFPVBQESA-N 1 0 320.418 3.144 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788814348 625274292 /nfs/dbraw/zinc/27/42/92/625274292.db2.gz LEYFWVBLBQWEJZ-GXTWGEPZSA-N 1 0 321.421 3.016 20 5 DGBDRO CCC1([NH+]2CCCCC2)CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000882816668 625825486 /nfs/dbraw/zinc/82/54/86/625825486.db2.gz UWPMXKGXLFLVBX-UHFFFAOYSA-N 1 0 318.421 3.225 20 5 DGBDRO Cc1cc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000882820499 625827340 /nfs/dbraw/zinc/82/73/40/625827340.db2.gz RENMEOPHZXJIES-NSHDSACASA-N 1 0 318.402 3.075 20 5 DGBDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000130585786 625877172 /nfs/dbraw/zinc/87/71/72/625877172.db2.gz JTARUJWQKVRSCO-IINYFYTJSA-N 1 0 324.764 3.443 20 5 DGBDRO C[C@H](CO)[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CCC1 ZINC000796556853 626061595 /nfs/dbraw/zinc/06/15/95/626061595.db2.gz SDAIHUMYAUUTLL-LLVKDONJSA-N 1 0 312.797 3.231 20 5 DGBDRO C[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCC[C@H]21 ZINC000796840410 626088734 /nfs/dbraw/zinc/08/87/34/626088734.db2.gz WWENWQIQBNJRRV-VNQPRFMTSA-N 1 0 323.824 3.211 20 5 DGBDRO Cc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC000797599715 626158093 /nfs/dbraw/zinc/15/80/93/626158093.db2.gz QEOGDBMBLABITN-UHFFFAOYSA-N 1 0 321.764 3.120 20 5 DGBDRO CCC(CC)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000800845761 626378581 /nfs/dbraw/zinc/37/85/81/626378581.db2.gz KHEHXDCZOGCCCL-QGZVFWFLSA-N 1 0 320.437 3.490 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[C@@H](C)C1 ZINC000801548656 626409208 /nfs/dbraw/zinc/40/92/08/626409208.db2.gz KQEMGIRNVVDQDF-TZMCWYRMSA-N 1 0 310.369 3.371 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccns2)cc1[N+](=O)[O-] ZINC000883248512 626622958 /nfs/dbraw/zinc/62/29/58/626622958.db2.gz VKDPUPCZNXYNHZ-NSHDSACASA-N 1 0 321.402 3.343 20 5 DGBDRO C[NH+](C)C1(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000803613379 626624851 /nfs/dbraw/zinc/62/48/51/626624851.db2.gz AJJJMXZKOVSQAI-UHFFFAOYSA-N 1 0 319.405 3.315 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803701240 626628477 /nfs/dbraw/zinc/62/84/77/626628477.db2.gz FFYCTQTXSMIMSR-IUODEOHRSA-N 1 0 308.378 3.094 20 5 DGBDRO Cc1c(COC(=O)CC[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000803856117 626644202 /nfs/dbraw/zinc/64/42/02/626644202.db2.gz OOOWROYLGANKDR-OAHLLOKOSA-N 1 0 320.389 3.211 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCOC1 ZINC000883352519 626657303 /nfs/dbraw/zinc/65/73/03/626657303.db2.gz CJJVMEGGQSHUFY-IOASZLSFSA-N 1 0 322.405 3.459 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCOC1 ZINC000883352520 626657323 /nfs/dbraw/zinc/65/73/23/626657323.db2.gz CJJVMEGGQSHUFY-WWGRRREGSA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804357223 626672951 /nfs/dbraw/zinc/67/29/51/626672951.db2.gz ADHHMQWSKRNPMT-NFAWXSAZSA-N 1 0 318.421 3.019 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000804399662 626676880 /nfs/dbraw/zinc/67/68/80/626676880.db2.gz BNJSRBMRBVRMSL-AWEZNQCLSA-N 1 0 306.410 3.244 20 5 DGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804529545 626689871 /nfs/dbraw/zinc/68/98/71/626689871.db2.gz CGYLSJSAUDISRG-CYBMUJFWSA-N 1 0 323.824 3.416 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3nc(Cl)ccc32)c1 ZINC000806150033 626702323 /nfs/dbraw/zinc/70/23/23/626702323.db2.gz JVGIDXCGDVAJNC-CQSZACIVSA-N 1 0 317.776 3.463 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC(C)(C)C[NH+]1CCCC1 ZINC000808047021 626788532 /nfs/dbraw/zinc/78/85/32/626788532.db2.gz ONYFPDUZNJTGOA-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000808178003 626803742 /nfs/dbraw/zinc/80/37/42/626803742.db2.gz ZAQOAFJTLXKYKN-NSHDSACASA-N 1 0 313.373 3.275 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000808230812 626807308 /nfs/dbraw/zinc/80/73/08/626807308.db2.gz QQIJSOGOBDMYLK-ZDUSSCGKSA-N 1 0 300.362 3.024 20 5 DGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809724766 626941887 /nfs/dbraw/zinc/94/18/87/626941887.db2.gz YPQHTTNNDLFEKK-SWLSCSKDSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1cccc(C)c1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809732593 626942869 /nfs/dbraw/zinc/94/28/69/626942869.db2.gz GBROKURUCWWEOJ-QGZVFWFLSA-N 1 0 300.358 3.035 20 5 DGBDRO [NH3+]CCN(Cc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809736187 626943519 /nfs/dbraw/zinc/94/35/19/626943519.db2.gz JEFZMQODRWQQAX-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)c2ccccc2)cc1Cl ZINC000809748955 626945941 /nfs/dbraw/zinc/94/59/41/626945941.db2.gz ZZOJEYBOPGKDKU-INIZCTEOSA-N 1 0 320.776 3.462 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCC(CO)CC1 ZINC000809764187 626948576 /nfs/dbraw/zinc/94/85/76/626948576.db2.gz GYKWXPDETVHEPD-UHFFFAOYSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)c1ccccc1 ZINC000809787190 626953172 /nfs/dbraw/zinc/95/31/72/626953172.db2.gz VSFLTGZTHYKZDH-BZNIZROVSA-N 1 0 320.776 3.460 20 5 DGBDRO Cc1c(OC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000810534713 627012813 /nfs/dbraw/zinc/01/28/13/627012813.db2.gz BHZKNFVMGAVHIA-MRXNPFEDSA-N 1 0 324.352 3.021 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(CC)CC ZINC000886140935 627111533 /nfs/dbraw/zinc/11/15/33/627111533.db2.gz SQVAEQWXVHPHBP-ZIAGYGMSSA-N 1 0 307.394 3.063 20 5 DGBDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886200628 627120432 /nfs/dbraw/zinc/12/04/32/627120432.db2.gz UISDXWPCXQHDOR-ZIAGYGMSSA-N 1 0 307.394 3.063 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000219088508 627137055 /nfs/dbraw/zinc/13/70/55/627137055.db2.gz OUQDBIARAQNOBW-ZDUSSCGKSA-N 1 0 312.778 3.133 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000219088437 627137357 /nfs/dbraw/zinc/13/73/57/627137357.db2.gz OUQDBIARAQNOBW-CYBMUJFWSA-N 1 0 312.778 3.133 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000886822698 627208500 /nfs/dbraw/zinc/20/85/00/627208500.db2.gz UETOBWBIMFZEGD-SWLSCSKDSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000886822699 627208587 /nfs/dbraw/zinc/20/85/87/627208587.db2.gz UETOBWBIMFZEGD-WFASDCNBSA-N 1 0 310.781 3.249 20 5 DGBDRO CCC(CC)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172646 627461631 /nfs/dbraw/zinc/46/16/31/627461631.db2.gz PMJVANZMMLUYTI-INIZCTEOSA-N 1 0 320.389 3.149 20 5 DGBDRO Cn1ncc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000815127620 627633216 /nfs/dbraw/zinc/63/32/16/627633216.db2.gz XDMRNYQAZYCIMK-UHFFFAOYSA-N 1 0 322.796 3.094 20 5 DGBDRO Cc1cccc(F)c1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583908 627687946 /nfs/dbraw/zinc/68/79/46/627687946.db2.gz QZLAIRUXXHYTQK-NSHDSACASA-N 1 0 303.337 3.475 20 5 DGBDRO COC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000815593069 627689319 /nfs/dbraw/zinc/68/93/19/627689319.db2.gz APXQITKIXODWPN-MLGOLLRUSA-N 1 0 315.373 3.215 20 5 DGBDRO CC(C)([NH3+])CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000925740322 627785210 /nfs/dbraw/zinc/78/52/10/627785210.db2.gz ITAWRYQGMHTMGL-QGZVFWFLSA-N 1 0 313.401 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](C3CCCC3)C2)cc1 ZINC000817283414 627877702 /nfs/dbraw/zinc/87/77/02/627877702.db2.gz VMMKWECNUPLAIK-DOTOQJQBSA-N 1 0 304.390 3.140 20 5 DGBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccns1 ZINC000926441028 627895840 /nfs/dbraw/zinc/89/58/40/627895840.db2.gz WVNPLFFQTXJCDW-SNVBAGLBSA-N 1 0 316.386 3.426 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000926797933 627956689 /nfs/dbraw/zinc/95/66/89/627956689.db2.gz WVSYJLROUDHLGS-LBPRGKRZSA-N 1 0 314.341 3.483 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000927065072 628006303 /nfs/dbraw/zinc/00/63/03/628006303.db2.gz DQGBMVGXURIDCA-RPVQJOFSSA-N 1 0 316.401 3.377 20 5 DGBDRO CC(C)[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cnn(C)c1 ZINC000927072657 628007844 /nfs/dbraw/zinc/00/78/44/628007844.db2.gz YBPSAZPAFXGRIR-RDJZCZTQSA-N 1 0 314.389 3.303 20 5 DGBDRO C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc([N+](=O)[O-])cc1 ZINC000927098905 628014063 /nfs/dbraw/zinc/01/40/63/628014063.db2.gz JPGPJCXOGFLQAJ-NSHDSACASA-N 1 0 300.362 3.057 20 5 DGBDRO [NH3+]CCCCCCCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000818618185 628043743 /nfs/dbraw/zinc/04/37/43/628043743.db2.gz OLNFHAJVXJRMCU-UHFFFAOYSA-N 1 0 302.378 3.368 20 5 DGBDRO CCC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000819018217 628079008 /nfs/dbraw/zinc/07/90/08/628079008.db2.gz QVQODEKMABOKPT-RDJZCZTQSA-N 1 0 315.373 3.154 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000819082815 628089073 /nfs/dbraw/zinc/08/90/73/628089073.db2.gz VWQIAVFJRNVLIK-HUUCEWRRSA-N 1 0 316.382 3.065 20 5 DGBDRO Cc1ccc([C@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819087934 628089906 /nfs/dbraw/zinc/08/99/06/628089906.db2.gz DFDOSJUBHWIKOW-RDTXWAMCSA-N 1 0 314.385 3.330 20 5 DGBDRO CC(C)C1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819167716 628104556 /nfs/dbraw/zinc/10/45/56/628104556.db2.gz HFXOSXIDJRZMJZ-PUJMQQBBSA-N 1 0 306.406 3.433 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000819234039 628117510 /nfs/dbraw/zinc/11/75/10/628117510.db2.gz VNFVKOIKYJVRJS-HUUCEWRRSA-N 1 0 318.398 3.357 20 5 DGBDRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819261587 628122805 /nfs/dbraw/zinc/12/28/05/628122805.db2.gz FGYKALPNGDDYEL-GXFFZTMASA-N 1 0 320.311 3.339 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1 ZINC000819283178 628126799 /nfs/dbraw/zinc/12/67/99/628126799.db2.gz QUODVNWOJSJKGH-BQFCYCMXSA-N 1 0 312.369 3.164 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CCC(F)(F)CC2)c1 ZINC000819290340 628128225 /nfs/dbraw/zinc/12/82/25/628128225.db2.gz ZPPICAJUEHOTPB-CQSZACIVSA-N 1 0 314.332 3.043 20 5 DGBDRO CC[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000819372298 628142874 /nfs/dbraw/zinc/14/28/74/628142874.db2.gz YZOQHFLDBPYKJJ-MFKMUULPSA-N 1 0 320.311 3.196 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1Cl ZINC000824715169 628686580 /nfs/dbraw/zinc/68/65/80/628686580.db2.gz IQWQKUFTQOEYSX-XPKDYRNWSA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)cc1 ZINC000824820720 628697619 /nfs/dbraw/zinc/69/76/19/628697619.db2.gz LCKCDYOSKWGMRW-WBVHZDCISA-N 1 0 302.374 3.467 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000824845027 628699219 /nfs/dbraw/zinc/69/92/19/628699219.db2.gz GUGCMBJSLWKNJD-HOCLYGCPSA-N 1 0 324.808 3.135 20 5 DGBDRO CCc1nc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])co1 ZINC000825056214 628722252 /nfs/dbraw/zinc/72/22/52/628722252.db2.gz DVEROGTUKOSWNS-LBPRGKRZSA-N 1 0 303.362 3.256 20 5 DGBDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825090696 628726371 /nfs/dbraw/zinc/72/63/71/628726371.db2.gz DUEYHTHGSYVTJS-GFCCVEGCSA-N 1 0 312.797 3.231 20 5 DGBDRO CC(C)(C[NH+]1CCCC1)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825325989 628749759 /nfs/dbraw/zinc/74/97/59/628749759.db2.gz JDZFMTZXQLAWKT-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO Cc1ccncc1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826926762 628904605 /nfs/dbraw/zinc/90/46/05/628904605.db2.gz MEGAQXDDOYMTKT-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000828889055 629105591 /nfs/dbraw/zinc/10/55/91/629105591.db2.gz QKFIBUANXADWQK-SWLSCSKDSA-N 1 0 308.353 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000828889052 629105916 /nfs/dbraw/zinc/10/59/16/629105916.db2.gz QKFIBUANXADWQK-IUODEOHRSA-N 1 0 308.353 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000829012451 629120466 /nfs/dbraw/zinc/12/04/66/629120466.db2.gz QYPOQLKVKFJTGU-FZMZJTMJSA-N 1 0 305.334 3.268 20 5 DGBDRO CCC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000829571871 629170178 /nfs/dbraw/zinc/17/01/78/629170178.db2.gz AEAWRSDMSUAWFA-AWEZNQCLSA-N 1 0 319.405 3.106 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000831315383 629361387 /nfs/dbraw/zinc/36/13/87/629361387.db2.gz ZHJCXFBIXVAPBQ-GJZGRUSLSA-N 1 0 308.353 3.171 20 5 DGBDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832727633 629508466 /nfs/dbraw/zinc/50/84/66/629508466.db2.gz VKCNPQUZHKZYQG-BBRMVZONSA-N 1 0 306.406 3.386 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC(C3CCCCC3)C2)cc1 ZINC000834378905 629701753 /nfs/dbraw/zinc/70/17/53/629701753.db2.gz SWQOHRHFVMOURU-QGZVFWFLSA-N 1 0 304.390 3.140 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000834675253 629754278 /nfs/dbraw/zinc/75/42/78/629754278.db2.gz DNTNFHKRGPTJGU-KBPBESRZSA-N 1 0 310.781 3.295 20 5 DGBDRO CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000834885325 629797920 /nfs/dbraw/zinc/79/79/20/629797920.db2.gz IGNLXZXKFZAIIQ-AHIWAGSCSA-N 1 0 321.421 3.279 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834909771 629806802 /nfs/dbraw/zinc/80/68/02/629806802.db2.gz MDNZSTVMSKVKJM-NEPJUHHUSA-N 1 0 307.394 3.033 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000840965961 630388147 /nfs/dbraw/zinc/38/81/47/630388147.db2.gz CILCGGNANPJQIG-TZMCWYRMSA-N 1 0 300.786 3.133 20 5 DGBDRO C[C@H]1C[C@@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841004688 630394191 /nfs/dbraw/zinc/39/41/91/630394191.db2.gz XCUPITPEQFECIZ-RYUDHWBXSA-N 1 0 311.813 3.068 20 5 DGBDRO [NH3+]C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000841039467 630400482 /nfs/dbraw/zinc/40/04/82/630400482.db2.gz QCGQIMCENNAQNV-CQSZACIVSA-N 1 0 311.813 3.245 20 5 DGBDRO [NH3+]C1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCCCCC1 ZINC000841042915 630401473 /nfs/dbraw/zinc/40/14/73/630401473.db2.gz LGLITVRFDIHQAX-UHFFFAOYSA-N 1 0 311.813 3.390 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000841088919 630406724 /nfs/dbraw/zinc/40/67/24/630406724.db2.gz FYUIRIRNRGZOSQ-ZDUSSCGKSA-N 1 0 309.797 3.013 20 5 DGBDRO C[C@H]([NH2+][C@@H](CO)CC1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841760406 630462812 /nfs/dbraw/zinc/46/28/12/630462812.db2.gz FFBQAXKLWKTAJD-SWLSCSKDSA-N 1 0 321.421 3.159 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000842473192 630539358 /nfs/dbraw/zinc/53/93/58/630539358.db2.gz TYUGDDIQNBTROB-HOTGVXAUSA-N 1 0 323.824 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000842473190 630539657 /nfs/dbraw/zinc/53/96/57/630539657.db2.gz TYUGDDIQNBTROB-CVEARBPZSA-N 1 0 323.824 3.355 20 5 DGBDRO C[NH2+]C[C@H](C)c1noc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000842576443 630549161 /nfs/dbraw/zinc/54/91/61/630549161.db2.gz HXIPFWINZAROQN-VHSXEESVSA-N 1 0 322.390 3.154 20 5 DGBDRO Cc1c(C(=O)OC[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000842835076 630582786 /nfs/dbraw/zinc/58/27/86/630582786.db2.gz VDLMEVYEYBYSCH-CQSZACIVSA-N 1 0 320.389 3.180 20 5 DGBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000844375963 630722839 /nfs/dbraw/zinc/72/28/39/630722839.db2.gz AHCHKBLWWAUENQ-QMTHXVAHSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@](C)(O)c1ccccc1 ZINC000846034501 631207247 /nfs/dbraw/zinc/20/72/47/631207247.db2.gz AALHZZDBYUJSMW-ABAIWWIYSA-N 1 0 306.387 3.042 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846038916 631207514 /nfs/dbraw/zinc/20/75/14/631207514.db2.gz OJFZWUVMNISYNA-KSSFIOAISA-N 1 0 314.385 3.289 20 5 DGBDRO C[C@@H](CO)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000846057850 631208579 /nfs/dbraw/zinc/20/85/79/631208579.db2.gz KQBGJNBMKYVJFA-NSHDSACASA-N 1 0 312.797 3.089 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(Cl)c(F)c1 ZINC000846899822 631346182 /nfs/dbraw/zinc/34/61/82/631346182.db2.gz IDWKXCAKDWZDER-UHFFFAOYSA-N 1 0 323.755 3.457 20 5 DGBDRO Cc1ccnc([C@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)c1 ZINC000846970899 631369612 /nfs/dbraw/zinc/36/96/12/631369612.db2.gz BMXMYHUYJYCWGO-ZDUSSCGKSA-N 1 0 315.348 3.427 20 5 DGBDRO C[C@H](COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000847964287 631587766 /nfs/dbraw/zinc/58/77/66/631587766.db2.gz ZVEUTTYOBLDVAL-KGLIPLIRSA-N 1 0 320.389 3.116 20 5 DGBDRO CC[N@H+](CC1CC1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848478839 631667241 /nfs/dbraw/zinc/66/72/41/631667241.db2.gz UXJHVPRUCLDYIX-UHFFFAOYSA-N 1 0 300.362 3.148 20 5 DGBDRO C[C@@H]1C[C@@H](C)[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848479431 631667789 /nfs/dbraw/zinc/66/77/89/631667789.db2.gz AFXAJJQLLNIETH-CHWSQXEVSA-N 1 0 300.362 3.146 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)[C@H]1C ZINC000848479787 631668967 /nfs/dbraw/zinc/66/89/67/631668967.db2.gz BQGIXXYLSOKSLN-OLZOCXBDSA-N 1 0 300.362 3.146 20 5 DGBDRO C[C@@](O)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccs1 ZINC000848528474 631678764 /nfs/dbraw/zinc/67/87/64/631678764.db2.gz MFIVUCSQTDFKIT-CZUORRHYSA-N 1 0 318.398 3.141 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc(Cl)n2C)cc1[N+](=O)[O-] ZINC000848540875 631685107 /nfs/dbraw/zinc/68/51/07/631685107.db2.gz SGYQBPGHKUWNRU-JTQLQIEISA-N 1 0 308.769 3.141 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000848550412 631689547 /nfs/dbraw/zinc/68/95/47/631689547.db2.gz MFKWPCCRGZSDPH-XZOAIXRZSA-N 1 0 312.369 3.294 20 5 DGBDRO COc1c(C)cccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848560136 631692849 /nfs/dbraw/zinc/69/28/49/631692849.db2.gz KFONPJPJXVHWEJ-GFCCVEGCSA-N 1 0 315.373 3.345 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000849328099 631892613 /nfs/dbraw/zinc/89/26/13/631892613.db2.gz ZRFHJOCVCVDRAN-IAGOWNOFSA-N 1 0 316.332 3.214 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)cc1 ZINC000850386726 632134817 /nfs/dbraw/zinc/13/48/17/632134817.db2.gz RRJMUJTUBYLSJP-YJBOKZPZSA-N 1 0 311.385 3.491 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000850439764 632153690 /nfs/dbraw/zinc/15/36/90/632153690.db2.gz OIAHQCQFOWWCFZ-IHRRRGAJSA-N 1 0 321.421 3.127 20 5 DGBDRO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850527464 632181420 /nfs/dbraw/zinc/18/14/20/632181420.db2.gz XPSCITKBVZLSFJ-QXKQMHMISA-N 1 0 313.357 3.006 20 5 DGBDRO C[C@@H]([NH2+]CC1(O)CCC(C)(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850550909 632190088 /nfs/dbraw/zinc/19/00/88/632190088.db2.gz DWCVWCOLKSXNJU-GFCCVEGCSA-N 1 0 321.421 3.159 20 5 DGBDRO Cc1noc(CN2CC[C@H](c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000851944309 632526991 /nfs/dbraw/zinc/52/69/91/632526991.db2.gz LBCYMLNINOBTEV-JTQLQIEISA-N 1 0 323.299 3.159 20 5 DGBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852106272 632555936 /nfs/dbraw/zinc/55/59/36/632555936.db2.gz VXIAYDNXIOLYJS-MRXNPFEDSA-N 1 0 323.824 3.166 20 5 DGBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852108812 632556087 /nfs/dbraw/zinc/55/60/87/632556087.db2.gz NGEXYPACTIZBHW-INIZCTEOSA-N 1 0 323.824 3.166 20 5 DGBDRO COC(=O)CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000852414234 632600430 /nfs/dbraw/zinc/60/04/30/632600430.db2.gz KPQPIIHVSDRXSE-UHFFFAOYSA-N 1 0 324.352 3.042 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000173820086 659402647 /nfs/dbraw/zinc/40/26/47/659402647.db2.gz JQMPNJKXAPWJNP-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000793042377 661001402 /nfs/dbraw/zinc/00/14/02/661001402.db2.gz MSRAZNAPOGTWCC-HLLBOEOZSA-N 1 0 306.406 3.433 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC1CC([NH+]2CCCCC2)C1 ZINC000793335749 661025201 /nfs/dbraw/zinc/02/52/01/661025201.db2.gz JDXCWISCJJWJMT-UHFFFAOYSA-N 1 0 323.824 3.355 20 5 DGBDRO CCCC[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H](C)CC ZINC000794621057 661094637 /nfs/dbraw/zinc/09/46/37/661094637.db2.gz ROZAZZLDLFCWGN-GFCCVEGCSA-N 1 0 321.377 3.361 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@H+](CC2CC2)CC2CCC2)c1 ZINC000794715806 661101244 /nfs/dbraw/zinc/10/12/44/661101244.db2.gz XYTPGDQQSIIRHB-UHFFFAOYSA-N 1 0 314.389 3.414 20 5 DGBDRO CC1=C(C)C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000794890427 661111612 /nfs/dbraw/zinc/11/16/12/661111612.db2.gz SSLPDLNRFHGBGN-UHFFFAOYSA-N 1 0 312.373 3.458 20 5 DGBDRO CCC(=O)c1ccc(N2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000795081845 661125440 /nfs/dbraw/zinc/12/54/40/661125440.db2.gz UEAIAHFBLNPVTL-CQSZACIVSA-N 1 0 319.405 3.154 20 5 DGBDRO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000795686691 661168008 /nfs/dbraw/zinc/16/80/08/661168008.db2.gz HXXFMOFEQSQCAF-BBWFWOEESA-N 1 0 312.373 3.017 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[NH+]3C[C@H]4CCCC[C@@H]4C3)c2c1 ZINC000176194070 655743075 /nfs/dbraw/zinc/74/30/75/655743075.db2.gz WRMTZOYAJTVBGC-ZIAGYGMSSA-N 1 0 300.362 3.024 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC[C@@H](O)c1ccccc1)C2 ZINC000795972595 661182605 /nfs/dbraw/zinc/18/26/05/661182605.db2.gz QAWBYBJOEKRVIY-GOSISDBHSA-N 1 0 312.369 3.077 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1F ZINC000934334531 655768569 /nfs/dbraw/zinc/76/85/69/655768569.db2.gz WOOSGGKSNWBNPB-LBPRGKRZSA-N 1 0 321.377 3.255 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1F ZINC000934334528 655768604 /nfs/dbraw/zinc/76/86/04/655768604.db2.gz WOOSGGKSNWBNPB-GFCCVEGCSA-N 1 0 321.377 3.255 20 5 DGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000177308657 655920917 /nfs/dbraw/zinc/92/09/17/655920917.db2.gz BYXQAKVXEHOAQM-HIFRSBDPSA-N 1 0 323.824 3.307 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]2C[NH+]2CCCC2)ccc1Cl ZINC000177947131 655950813 /nfs/dbraw/zinc/95/08/13/655950813.db2.gz XTBIRGMESBLMSZ-AWEZNQCLSA-N 1 0 323.824 3.308 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000062979804 656434999 /nfs/dbraw/zinc/43/49/99/656434999.db2.gz PMTHAXWHEAZFFR-CYBMUJFWSA-N 1 0 311.813 3.164 20 5 DGBDRO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000262115832 657379418 /nfs/dbraw/zinc/37/94/18/657379418.db2.gz KEAXJMFJKXJVBO-FZMZJTMJSA-N 1 0 300.362 3.072 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000054549811 658488308 /nfs/dbraw/zinc/48/83/08/658488308.db2.gz PHYYRBAYPJHABP-OAHLLOKOSA-N 1 0 306.410 3.410 20 5 DGBDRO CCC[NH+]1CCC(N(C)Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171940593 659307470 /nfs/dbraw/zinc/30/74/70/659307470.db2.gz HRYDESMSJYULJQ-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CCCC1 ZINC000172895972 659362822 /nfs/dbraw/zinc/36/28/22/659362822.db2.gz GQVRJJIDVGBXEY-UHFFFAOYSA-N 1 0 315.377 3.075 20 5 DGBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(C)cc1 ZINC000174726209 659541443 /nfs/dbraw/zinc/54/14/43/659541443.db2.gz GVSICBALQXOIFR-SFHVURJKSA-N 1 0 314.385 3.459 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000174848092 659873346 /nfs/dbraw/zinc/87/33/46/659873346.db2.gz HVCWOEZAWKHRFJ-OAHLLOKOSA-N 1 0 323.824 3.308 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000175265003 659918224 /nfs/dbraw/zinc/91/82/24/659918224.db2.gz AWZMGEZSJOTCDN-XJKSGUPXSA-N 1 0 314.389 3.244 20 5 DGBDRO Cc1c(C[NH+]2CCC(c3ccn(C)n3)CC2)cccc1[N+](=O)[O-] ZINC000932146097 661542202 /nfs/dbraw/zinc/54/22/02/661542202.db2.gz ZTTLIMIGKRWQDE-UHFFFAOYSA-N 1 0 314.389 3.016 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cc1F ZINC000933081201 661616701 /nfs/dbraw/zinc/61/67/01/661616701.db2.gz KEMCHHMBMMZAOH-OAHLLOKOSA-N 1 0 322.380 3.373 20 5 DGBDRO CCCCC1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000934203310 661687391 /nfs/dbraw/zinc/68/73/91/661687391.db2.gz PJLOEOBOYHEPOV-UHFFFAOYSA-N 1 0 305.378 3.236 20 5 DGBDRO CCOc1cc(C[NH2+][C@H](C)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000934230033 661690029 /nfs/dbraw/zinc/69/00/29/661690029.db2.gz HSHSDJVMAKVPDT-CYBMUJFWSA-N 1 0 315.373 3.109 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC23CCCC3)ccc1Cl ZINC000934384916 661703610 /nfs/dbraw/zinc/70/36/10/661703610.db2.gz ISJDOBZFNMQCCE-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000934686114 661725767 /nfs/dbraw/zinc/72/57/67/661725767.db2.gz IWLFSTXYASXQTO-QGZVFWFLSA-N 1 0 313.357 3.239 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2ccncc2)C2CC2)cc1 ZINC000934689005 661726083 /nfs/dbraw/zinc/72/60/83/661726083.db2.gz SQBDANKEGGYKIV-KRWDZBQOSA-N 1 0 313.357 3.110 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)cc1F ZINC000934698058 661727533 /nfs/dbraw/zinc/72/75/33/661727533.db2.gz LUCMZDPLJDVYDX-INIZCTEOSA-N 1 0 301.321 3.370 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934837870 661739493 /nfs/dbraw/zinc/73/94/93/661739493.db2.gz XGPYGSHOVRNEFM-UONOGXRCSA-N 1 0 322.380 3.373 20 5 DGBDRO CC1(C)C[NH2+]CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC001576481126 1191829420 /nfs/dbraw/zinc/82/94/20/1191829420.db2.gz SHQZDUOWOOKVNZ-GFCCVEGCSA-N 1 0 314.389 3.333 20 5 DGBDRO CCC[NH2+]CCNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001577562010 1191907996 /nfs/dbraw/zinc/90/79/96/1191907996.db2.gz UDIFGWKOIPFDOI-UHFFFAOYSA-N 1 0 305.300 3.334 20 5 DGBDRO Cc1cc(NC(=O)N(C)C2(C[NH3+])CCCCC2)cc([N+](=O)[O-])c1 ZINC001579627874 1191983070 /nfs/dbraw/zinc/98/30/70/1191983070.db2.gz CSHLESXUCQLVQN-UHFFFAOYSA-N 1 0 320.393 3.029 20 5 DGBDRO Cc1cc(NC[C@@H]2Cc3ccccc3C[NH2+]2)c(F)cc1[N+](=O)[O-] ZINC001579636158 1191983831 /nfs/dbraw/zinc/98/38/31/1191983831.db2.gz UGHRJZMTRTURPK-AWEZNQCLSA-N 1 0 315.348 3.169 20 5 DGBDRO O=C(Nc1cccc2c1C[NH2+]C2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001580780279 1192040497 /nfs/dbraw/zinc/04/04/97/1192040497.db2.gz RKXWIEVLCOYRPK-UHFFFAOYSA-N 1 0 323.308 3.197 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]CC2)c2ccncc21 ZINC001580875800 1192043299 /nfs/dbraw/zinc/04/32/99/1192043299.db2.gz RQEHLCTXNZKYTI-ZDUSSCGKSA-N 1 0 314.389 3.335 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001580874920 1192043506 /nfs/dbraw/zinc/04/35/06/1192043506.db2.gz OWODRTRHPFHOKN-OAHLLOKOSA-N 1 0 309.797 3.218 20 5 DGBDRO CC(C)[C@H](O)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001620801446 1192083233 /nfs/dbraw/zinc/08/32/33/1192083233.db2.gz DBOUJZVESMGEEN-MRXNPFEDSA-N 1 0 318.373 3.351 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001620850907 1192454898 /nfs/dbraw/zinc/45/48/98/1192454898.db2.gz ROMKXBFTTMWCIE-SUMWQHHRSA-N 1 0 317.433 3.291 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001332198361 1178387788 /nfs/dbraw/zinc/38/77/88/1178387788.db2.gz WDCJWYFOIJZDQC-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC001333482683 1178612750 /nfs/dbraw/zinc/61/27/50/1178612750.db2.gz IRWREJADSMQINR-CQSZACIVSA-N 1 0 300.358 3.193 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@@H]3CC[C@H]4C[C@H]43)nc2c1 ZINC001333810678 1178678574 /nfs/dbraw/zinc/67/85/74/1178678574.db2.gz XPRTYOJVAJMZRA-GVXVVHGQSA-N 1 0 301.346 3.262 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001333877663 1178688551 /nfs/dbraw/zinc/68/85/51/1178688551.db2.gz ZKKCBMLOQVCSLL-FRRDWIJNSA-N 1 0 323.824 3.415 20 5 DGBDRO Cc1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335317520 1178894441 /nfs/dbraw/zinc/89/44/41/1178894441.db2.gz NGCMQILQISGBQJ-MRXNPFEDSA-N 1 0 320.776 3.380 20 5 DGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]([NH3+])C(C)(C)C ZINC001341492104 1179017337 /nfs/dbraw/zinc/01/73/37/1179017337.db2.gz AKPZVDFNFZRZFO-HNNXBMFYSA-N 1 0 321.421 3.095 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001343321680 1179255730 /nfs/dbraw/zinc/25/57/30/1179255730.db2.gz XWTMZVBDDDQQNJ-RRFJBIMHSA-N 1 0 303.406 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CN([C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001344558805 1179450520 /nfs/dbraw/zinc/45/05/20/1179450520.db2.gz VJWNVKRTDYPYOQ-LJQANCHMSA-N 1 0 323.396 3.185 20 5 DGBDRO COc1ccc(CNCc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC001200223139 1180463528 /nfs/dbraw/zinc/46/35/28/1180463528.db2.gz FIZCSAMJFUQCDR-UHFFFAOYSA-N 1 0 313.313 3.034 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CCCN(CCF)C1 ZINC001458463379 1182527570 /nfs/dbraw/zinc/52/75/70/1182527570.db2.gz ZYIKGAOKWAZKTJ-NSHDSACASA-N 1 0 301.749 3.094 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC001458707946 1182549771 /nfs/dbraw/zinc/54/97/71/1182549771.db2.gz VSFIULKDVYWPPU-ZBFHGGJFSA-N 1 0 321.396 3.433 20 5 DGBDRO COC[C@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC001459794718 1182616820 /nfs/dbraw/zinc/61/68/20/1182616820.db2.gz FXNDMMPQHDJIGG-HNNXBMFYSA-N 1 0 306.406 3.478 20 5 DGBDRO C[C@H](C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC001460622210 1182700235 /nfs/dbraw/zinc/70/02/35/1182700235.db2.gz UCDAUGUODMEHSF-GUYCJALGSA-N 1 0 308.422 3.464 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2N(C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC001461485185 1182818600 /nfs/dbraw/zinc/81/86/00/1182818600.db2.gz JFRAQWPPKWDPLP-MRXNPFEDSA-N 1 0 305.422 3.113 20 5 DGBDRO CCC1(C)CC[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC001461983075 1182889522 /nfs/dbraw/zinc/88/95/22/1182889522.db2.gz ODNBSJVDKNTXEG-UHFFFAOYSA-N 1 0 308.378 3.321 20 5 DGBDRO CCC(CC)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[NH+](C)C ZINC001472650094 1183660911 /nfs/dbraw/zinc/66/09/11/1183660911.db2.gz JQOLRWIZASNURA-AWEZNQCLSA-N 1 0 324.381 3.281 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001472673091 1183664751 /nfs/dbraw/zinc/66/47/51/1183664751.db2.gz AWDCZAVMULAREA-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)CC(C)C ZINC001473129342 1183718588 /nfs/dbraw/zinc/71/85/88/1183718588.db2.gz AWVHOXXXXIJEMM-UHFFFAOYSA-N 1 0 316.405 3.258 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)c1 ZINC001473228779 1183733209 /nfs/dbraw/zinc/73/32/09/1183733209.db2.gz VRZCQEKINPLWQZ-SFHVURJKSA-N 1 0 322.368 3.322 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001473475144 1183760835 /nfs/dbraw/zinc/76/08/35/1183760835.db2.gz LUHGXNWUHDZNJS-LBPRGKRZSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(CO)CCCCCCC1 ZINC001473730894 1183794432 /nfs/dbraw/zinc/79/44/32/1183794432.db2.gz FABYNSFVUQXXPP-UHFFFAOYSA-N 1 0 310.369 3.299 20 5 DGBDRO Cc1ccc(O)c(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC001474033103 1183855423 /nfs/dbraw/zinc/85/54/23/1183855423.db2.gz YMTOWIIWDIROIT-UHFFFAOYSA-N 1 0 315.373 3.116 20 5 DGBDRO CCOc1cccc(F)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001474098781 1183867419 /nfs/dbraw/zinc/86/74/19/1183867419.db2.gz PIQCSPKAKYXDSA-UHFFFAOYSA-N 1 0 318.348 3.465 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001474128186 1183871675 /nfs/dbraw/zinc/87/16/75/1183871675.db2.gz XNWWWPXEARWHNF-SFHVURJKSA-N 1 0 314.385 3.343 20 5 DGBDRO COc1ccc(CNc2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC001474248088 1183889384 /nfs/dbraw/zinc/88/93/84/1183889384.db2.gz GYCHGXZYDCEBRZ-UHFFFAOYSA-N 1 0 312.329 3.400 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC001474420001 1183918728 /nfs/dbraw/zinc/91/87/28/1183918728.db2.gz NNRYBWYUFAVNTM-RPVQJOFSSA-N 1 0 318.417 3.463 20 5 DGBDRO CC(=O)c1ccc(N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])c1 ZINC001612607459 1193457527 /nfs/dbraw/zinc/45/75/27/1193457527.db2.gz ROOBCKONPYJIIG-CVEARBPZSA-N 1 0 317.389 3.082 20 5 DGBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+]1C ZINC001612939771 1193464699 /nfs/dbraw/zinc/46/46/99/1193464699.db2.gz SXDAQWMOJPJZJS-OCCSQVGLSA-N 1 0 312.373 3.161 20 5 DGBDRO CC[N@H+](C)[C@@H]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001613088030 1193467643 /nfs/dbraw/zinc/46/76/43/1193467643.db2.gz MSYFOWGSUBPQKC-SNVBAGLBSA-N 1 0 317.311 3.144 20 5 DGBDRO CC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001617611853 1193575679 /nfs/dbraw/zinc/57/56/79/1193575679.db2.gz YRFNIPYJFGIWFE-UHFFFAOYSA-N 1 0 315.373 3.465 20 5 DGBDRO CC(C)O[C@H]1C[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001618010356 1193588658 /nfs/dbraw/zinc/58/86/58/1193588658.db2.gz DLXHGODBKSSEDS-HOTGVXAUSA-N 1 0 322.405 3.155 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001559202333 1189180618 /nfs/dbraw/zinc/18/06/18/1189180618.db2.gz CSSIIGVUZQWLOS-CYBMUJFWSA-N 1 0 316.405 3.097 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001559266597 1189189796 /nfs/dbraw/zinc/18/97/96/1189189796.db2.gz HGQFCYDQQWAAIG-HNNXBMFYSA-N 1 0 309.385 3.209 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(N2CC[NH2+][C@H](c3ccccc3)C2)c(F)c1 ZINC001559285289 1189192212 /nfs/dbraw/zinc/19/22/12/1189192212.db2.gz IVYQTDYYTJWBBY-HNNXBMFYSA-N 1 0 319.311 3.024 20 5 DGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC001559920388 1189256476 /nfs/dbraw/zinc/25/64/76/1189256476.db2.gz IOMWLGCVLAELFE-UHFFFAOYSA-N 1 0 322.405 3.252 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1cccc([N+](=O)[O-])c1 ZINC001560274353 1189303439 /nfs/dbraw/zinc/30/34/39/1189303439.db2.gz IQKUCQKWJRWGKJ-GFCCVEGCSA-N 1 0 310.357 3.332 20 5 DGBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC001560291236 1189306106 /nfs/dbraw/zinc/30/61/06/1189306106.db2.gz IFMSBWRVBKKONU-SECBINFHSA-N 1 0 300.305 3.332 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nc3cc(F)ccc3o2)cc1 ZINC001560319854 1189311261 /nfs/dbraw/zinc/31/12/61/1189311261.db2.gz BCYFFPWACLXGJT-UHFFFAOYSA-N 1 0 315.304 3.207 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)c([N+](=O)[O-])cc1O ZINC001560359326 1189317694 /nfs/dbraw/zinc/31/76/94/1189317694.db2.gz IXBFOIBFVNCEFM-UONOGXRCSA-N 1 0 320.389 3.367 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC001560369127 1189319413 /nfs/dbraw/zinc/31/94/13/1189319413.db2.gz NYGIFRBKEPYEAM-IAGOWNOFSA-N 1 0 306.406 3.242 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001560400238 1189324004 /nfs/dbraw/zinc/32/40/04/1189324004.db2.gz CEGLGMIAXGQOHW-MRXNPFEDSA-N 1 0 314.389 3.447 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]C/C=C\CO)o1 ZINC001560528181 1189337022 /nfs/dbraw/zinc/33/70/22/1189337022.db2.gz KRNSPEVFNCKSMA-UPHRSURJSA-N 1 0 322.748 3.146 20 5 DGBDRO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1C[NH+](C)C ZINC001570227947 1190826021 /nfs/dbraw/zinc/82/60/21/1190826021.db2.gz XNRDIEDDKNJDBU-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC001618107225 1193724584 /nfs/dbraw/zinc/72/45/84/1193724584.db2.gz XZNHKJTVYOWFLK-KOHJWAIASA-N 1 0 318.373 3.050 20 5 DGBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001620583876 1193780806 /nfs/dbraw/zinc/78/08/06/1193780806.db2.gz ZHFVYQKQZCUEEH-GFCCVEGCSA-N 1 0 309.435 3.105 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001620669712 1193789802 /nfs/dbraw/zinc/78/98/02/1193789802.db2.gz YECGLULGISIUOH-WBVHZDCISA-N 1 0 320.389 3.137 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC2CCCC2)cc1Cl ZINC001621285110 1193826451 /nfs/dbraw/zinc/82/64/51/1193826451.db2.gz OTABBDMCLAUZKK-ZDUSSCGKSA-N 1 0 312.797 3.279 20 5 DGBDRO O=[N+]([O-])c1ccc(CNCc2ccc3c[nH+]cn3c2)c(Cl)c1 ZINC001621382624 1193835587 /nfs/dbraw/zinc/83/55/87/1193835587.db2.gz RSMSROZFWZFTDL-UHFFFAOYSA-N 1 0 316.748 3.186 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001629073281 1194212606 /nfs/dbraw/zinc/21/26/06/1194212606.db2.gz SFTAAEJGKUXVTE-CQSZACIVSA-N 1 0 319.405 3.271 20 5 DGBDRO CC1CC[NH+](CCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001639272364 1194758318 /nfs/dbraw/zinc/75/83/18/1194758318.db2.gz UBDZYKNDFFPWRE-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO C[NH+](C)CCN(Cc1ccsc1)c1ccccc1[N+](=O)[O-] ZINC001640012183 1194791191 /nfs/dbraw/zinc/79/11/91/1194791191.db2.gz GAJFKVYDHUDOFG-UHFFFAOYSA-N 1 0 305.403 3.225 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(CC)CC ZINC001642126749 1194889494 /nfs/dbraw/zinc/88/94/94/1194889494.db2.gz INUUGEASNGZOMQ-HUUCEWRRSA-N 1 0 321.421 3.405 20 5 DGBDRO C[C@H](c1ccccc1)[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC001642329032 1194902639 /nfs/dbraw/zinc/90/26/39/1194902639.db2.gz LVLMSAAOXLPNBQ-CQSZACIVSA-N 1 0 300.358 3.150 20 5 DGBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C)C1 ZINC001642938578 1194955943 /nfs/dbraw/zinc/95/59/43/1194955943.db2.gz YTPLIFGKZAYQLT-GOEBONIOSA-N 1 0 322.405 3.111 20 5 DGBDRO Cc1cc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001643115372 1194996503 /nfs/dbraw/zinc/99/65/03/1194996503.db2.gz HNBVQMBJUIHPND-AWEZNQCLSA-N 1 0 312.373 3.013 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1(C)C ZINC001643131898 1194997603 /nfs/dbraw/zinc/99/76/03/1194997603.db2.gz WYSZENPNERDCSP-HZPDHXFCSA-N 1 0 322.405 3.285 20 5 DGBDRO CC1(C)CCC(C)(C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001643889972 1195061297 /nfs/dbraw/zinc/06/12/97/1195061297.db2.gz UNIWBAGKTDYASG-UHFFFAOYSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001644507477 1195114012 /nfs/dbraw/zinc/11/40/12/1195114012.db2.gz IKLFQOGSKORTQV-YPMHNXCESA-N 1 0 314.389 3.382 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc([N+](=O)[O-])c1 ZINC001648591968 1195311153 /nfs/dbraw/zinc/31/11/53/1195311153.db2.gz SZOIVJKDTHMNBK-ZWKOTPCHSA-N 1 0 317.433 3.290 20 5 DGBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001650616944 1195365048 /nfs/dbraw/zinc/36/50/48/1195365048.db2.gz OWWJAJZOEYDXHS-MRXNPFEDSA-N 1 0 318.373 3.351 20 5 DGBDRO CC(C)(C[NH+]1CCCC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001651153455 1195420018 /nfs/dbraw/zinc/42/00/18/1195420018.db2.gz AZWJERYXNJCXAG-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CCCC[NH+]1CCCCC1 ZINC001651361481 1195450011 /nfs/dbraw/zinc/45/00/11/1195450011.db2.gz RHAOJJYJMNSPKC-UHFFFAOYSA-N 1 0 306.410 3.001 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001651528166 1195476116 /nfs/dbraw/zinc/47/61/16/1195476116.db2.gz VWCWIUFDKJXVCG-CYBMUJFWSA-N 1 0 316.405 3.097 20 5 DGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001652364614 1195588300 /nfs/dbraw/zinc/58/83/00/1195588300.db2.gz SKHQVWVQGPNAHW-CZUORRHYSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1cc(F)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001652380930 1195589646 /nfs/dbraw/zinc/58/96/46/1195589646.db2.gz YZOZDDMTWDJFTB-UHFFFAOYSA-N 1 0 321.327 3.147 20 5 DGBDRO CO[C@@]1(C)C[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653449932 1195723366 /nfs/dbraw/zinc/72/33/66/1195723366.db2.gz PBRVJOCFECUASF-RDJZCZTQSA-N 1 0 306.406 3.273 20 5 DGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001654402281 1195800180 /nfs/dbraw/zinc/80/01/80/1195800180.db2.gz ZHHVXUBPJFDRLI-ZFWWWQNUSA-N 1 0 310.419 3.367 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(CCC2)CO1 ZINC001654425363 1195802211 /nfs/dbraw/zinc/80/22/11/1195802211.db2.gz RRMBJKPCZFJIRI-MRXNPFEDSA-N 1 0 318.417 3.418 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001654987877 1195861757 /nfs/dbraw/zinc/86/17/57/1195861757.db2.gz VXDDHIKDIYOZQT-OAHLLOKOSA-N 1 0 306.410 3.002 20 5 DGBDRO Cc1c(CN[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001655415819 1195914024 /nfs/dbraw/zinc/91/40/24/1195914024.db2.gz ALOBKXZFHWHPAH-KBPBESRZSA-N 1 0 305.422 3.113 20 5 DGBDRO C[C@@]12CSC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001655810986 1195966035 /nfs/dbraw/zinc/96/60/35/1195966035.db2.gz DNDBESXCYLODJU-SMDDNHRTSA-N 1 0 312.822 3.433 20 5 DGBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C1CCCC1 ZINC001655856864 1195969358 /nfs/dbraw/zinc/96/93/58/1195969358.db2.gz XKBNVFNKFCDQCP-NSHDSACASA-N 1 0 324.812 3.096 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC001656277724 1196026685 /nfs/dbraw/zinc/02/66/85/1196026685.db2.gz WCAHSRCZVCKEBV-UHFFFAOYSA-N 1 0 311.263 3.298 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCSC[C@@H]2C2CC2)c1 ZINC001656314710 1196029307 /nfs/dbraw/zinc/02/93/07/1196029307.db2.gz FPUHASJYIZBMDP-MRXNPFEDSA-N 1 0 322.430 3.191 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1csc([N+](=O)[O-])c1 ZINC001656474321 1196043144 /nfs/dbraw/zinc/04/31/44/1196043144.db2.gz ILSDDNAJZUJTJE-GJZGRUSLSA-N 1 0 323.462 3.351 20 5 DGBDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001656626546 1196055839 /nfs/dbraw/zinc/05/58/39/1196055839.db2.gz DKBUORCHJGNUAB-ZDUSSCGKSA-N 1 0 316.357 3.161 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC001657038833 1196095391 /nfs/dbraw/zinc/09/53/91/1196095391.db2.gz GVPKYNPTERJUCY-AWEZNQCLSA-N 1 0 320.389 3.103 20 5 DGBDRO Cc1c[nH]c(=O)c(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC001657082476 1196102501 /nfs/dbraw/zinc/10/25/01/1196102501.db2.gz YSYJNNSXGZZHPY-UHFFFAOYSA-N 1 0 315.373 3.417 20 5 DGBDRO CC(C)C[C@@H](CN1CCCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001657413787 1196138814 /nfs/dbraw/zinc/13/88/14/1196138814.db2.gz VQXOTRULTQRHSZ-INIZCTEOSA-N 1 0 305.422 3.195 20 5 DGBDRO CCC(C)(C)C1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001657474876 1196145805 /nfs/dbraw/zinc/14/58/05/1196145805.db2.gz MEZAZMXMEGHILX-UHFFFAOYSA-N 1 0 308.426 3.376 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC001657913073 1196192870 /nfs/dbraw/zinc/19/28/70/1196192870.db2.gz DTCJQMPCZSCOBE-INIZCTEOSA-N 1 0 317.433 3.318 20 5 DGBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H]1C ZINC001658341372 1196244368 /nfs/dbraw/zinc/24/43/68/1196244368.db2.gz RLBBGMYMJXPVQY-UONOGXRCSA-N 1 0 319.405 3.352 20 5 DGBDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001658719749 1196292409 /nfs/dbraw/zinc/29/24/09/1196292409.db2.gz ZQFLMJCMLJABAI-BMGDILEWSA-N 1 0 318.417 3.384 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001659510367 1196389968 /nfs/dbraw/zinc/38/99/68/1196389968.db2.gz HZQUEMNXKVENQX-GWCFXTLKSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(C3(O)CCC3)CCC2)c1 ZINC001660106339 1196445979 /nfs/dbraw/zinc/44/59/79/1196445979.db2.gz DFFALKKSUBDASV-UHFFFAOYSA-N 1 0 324.808 3.423 20 5 DGBDRO C[C@]12C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001660402172 1196479914 /nfs/dbraw/zinc/47/99/14/1196479914.db2.gz HYZFTVCZUXBPBU-JTOWHCCKSA-N 1 0 316.401 3.342 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001662399839 1196717860 /nfs/dbraw/zinc/71/78/60/1196717860.db2.gz MNVPATXMLFHJMJ-HNNXBMFYSA-N 1 0 305.422 3.176 20 5 DGBDRO CCCN1CC[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC001662946563 1196774747 /nfs/dbraw/zinc/77/47/47/1196774747.db2.gz KUISZMACFNCLJM-OAHLLOKOSA-N 1 0 305.422 3.292 20 5 DGBDRO Cc1cccn2c(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cnc12 ZINC001663264220 1196822932 /nfs/dbraw/zinc/82/29/32/1196822932.db2.gz SYCTZOFASOYRGF-ZDUSSCGKSA-N 1 0 310.357 3.402 20 5 DGBDRO CC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)OC(C)(C)C ZINC001663317026 1196833090 /nfs/dbraw/zinc/83/30/90/1196833090.db2.gz XYYWALGRQLWONH-ZDUSSCGKSA-N 1 0 322.405 3.361 20 5 DGBDRO CCc1ccc(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000178252446 1204017697 /nfs/dbraw/zinc/01/76/97/1204017697.db2.gz AYCSSXNIGJFZTN-LLVKDONJSA-N 1 0 313.357 3.429 20 5 DGBDRO CCCC[NH+](CCCC)CCNc1nc(C)ncc1[N+](=O)[O-] ZINC001156905251 1081918145 /nfs/dbraw/zinc/91/81/45/1081918145.db2.gz OKPIGAAKYSHUTN-UHFFFAOYSA-N 1 0 309.414 3.007 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC001170305557 1082340861 /nfs/dbraw/zinc/34/08/61/1082340861.db2.gz NDEKYROMCZOLBP-BPLDGKMQSA-N 1 0 322.405 3.082 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@H+](C)C2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170327239 1082347754 /nfs/dbraw/zinc/34/77/54/1082347754.db2.gz GHYKGDKUVOLRAT-SNVBAGLBSA-N 1 0 314.332 3.264 20 5 DGBDRO CCCO[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344356 1082355220 /nfs/dbraw/zinc/35/52/20/1082355220.db2.gz BBSJLFAUZDHMAQ-BBRMVZONSA-N 1 0 322.405 3.035 20 5 DGBDRO COc1ccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)nc1[N+](=O)[O-] ZINC001170454061 1082482624 /nfs/dbraw/zinc/48/26/24/1082482624.db2.gz SJDQMQFAQDBLKX-UHFFFAOYSA-N 1 0 322.409 3.062 20 5 DGBDRO [NH3+]CCc1cnn(-c2ccc3ccc4ccc(Cl)nc4c3n2)c1 ZINC001158100303 1082613475 /nfs/dbraw/zinc/61/34/75/1082613475.db2.gz AZUPETWKTKHUHE-UHFFFAOYSA-N 1 0 323.787 3.123 20 5 DGBDRO CN(C)c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)c([N+](=O)[O-])c1 ZINC001167624720 1082618140 /nfs/dbraw/zinc/61/81/40/1082618140.db2.gz FLEGVNWZUOEOAX-UHFFFAOYSA-N 1 0 320.437 3.146 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217974215 1082977983 /nfs/dbraw/zinc/97/79/83/1082977983.db2.gz DKEBXIJZNKQZBM-JOYOIKCWSA-N 1 0 323.151 3.371 20 5 DGBDRO CCCC(CCC)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133023270 1083030559 /nfs/dbraw/zinc/03/05/59/1083030559.db2.gz DLYGKJWXOPWFGY-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001218481386 1083206106 /nfs/dbraw/zinc/20/61/06/1083206106.db2.gz LAZKHUIXJJFSCG-KRTXAFLBSA-N 1 0 305.161 3.278 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1NC1(C(=O)OC)CCCC1 ZINC001167715402 1083235910 /nfs/dbraw/zinc/23/59/10/1083235910.db2.gz QQBIORSKIWUQTM-UHFFFAOYSA-N 1 0 305.442 3.181 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC001181672242 1083513588 /nfs/dbraw/zinc/51/35/88/1083513588.db2.gz GXSLJGROLHELCM-GDBMZVCRSA-N 1 0 317.433 3.270 20 5 DGBDRO CCC[C@@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CCC1 ZINC001182286752 1083672632 /nfs/dbraw/zinc/67/26/32/1083672632.db2.gz XNXMHDIRGZLQDO-CYBMUJFWSA-N 1 0 308.378 3.367 20 5 DGBDRO Cc1cccc2c1C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CO2 ZINC001183009235 1083854830 /nfs/dbraw/zinc/85/48/30/1083854830.db2.gz APYUMZHJBOTTOM-OAHLLOKOSA-N 1 0 312.369 3.039 20 5 DGBDRO COC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC001183972747 1084077168 /nfs/dbraw/zinc/07/71/68/1084077168.db2.gz XXKMMMMDFHQJRS-GFCCVEGCSA-N 1 0 300.786 3.256 20 5 DGBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001185420095 1084433360 /nfs/dbraw/zinc/43/33/60/1084433360.db2.gz BWHKAEMJVQEMAQ-NSHDSACASA-N 1 0 313.348 3.310 20 5 DGBDRO CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(OCC)c1 ZINC001186407049 1084641654 /nfs/dbraw/zinc/64/16/54/1084641654.db2.gz ZBFDEUSQGROWKS-UHFFFAOYSA-N 1 0 321.421 3.306 20 5 DGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001187034008 1084749667 /nfs/dbraw/zinc/74/96/67/1084749667.db2.gz DSCAPZLKXUQKQY-LLVKDONJSA-N 1 0 313.348 3.405 20 5 DGBDRO Cc1ccnc(NCCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001187198902 1084768983 /nfs/dbraw/zinc/76/89/83/1084768983.db2.gz MZJRXNNWQLGHDO-UHFFFAOYSA-N 1 0 306.410 3.221 20 5 DGBDRO COc1cc(C)c([N+](=O)[O-])cc1N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167991593 1086053977 /nfs/dbraw/zinc/05/39/77/1086053977.db2.gz KDNOKFTZKWCHHJ-UHFFFAOYSA-N 1 0 318.308 3.082 20 5 DGBDRO NC(=[NH2+])N(c1ccc(F)cc1)c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001167992324 1086056051 /nfs/dbraw/zinc/05/60/51/1086056051.db2.gz OFJFIPZRQQIRMB-UHFFFAOYSA-N 1 0 313.292 3.247 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC1(C)CC[NH2+]CC1 ZINC001168189031 1087035854 /nfs/dbraw/zinc/03/58/54/1087035854.db2.gz JSFWWFPIALGTRR-UHFFFAOYSA-N 1 0 307.394 3.244 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ncc([N+](=O)[O-])cc1F ZINC001158730007 1087996690 /nfs/dbraw/zinc/99/66/90/1087996690.db2.gz MHDGUDLNNSBXCK-CQSZACIVSA-N 1 0 316.336 3.369 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001158758220 1088011061 /nfs/dbraw/zinc/01/10/61/1088011061.db2.gz VMNDSAGVWKJBCI-UHFFFAOYSA-N 1 0 321.208 3.439 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(NC(C)(C)CC[NH+](C)C)nc1Cl ZINC001158757979 1088011340 /nfs/dbraw/zinc/01/13/40/1088011340.db2.gz TYTYEAZCOAXAHM-UHFFFAOYSA-N 1 0 300.790 3.094 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001158760642 1088015001 /nfs/dbraw/zinc/01/50/01/1088015001.db2.gz GWOWAGXZRYPHDW-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO COc1cnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001159398210 1088334319 /nfs/dbraw/zinc/33/43/19/1088334319.db2.gz XPKBFXCMODEAQD-UHFFFAOYSA-N 1 0 322.409 3.062 20 5 DGBDRO [NH3+][C@@H]1CCN(c2ccc(F)cc2Nc2ccccc2[N+](=O)[O-])C1 ZINC001160055549 1088622099 /nfs/dbraw/zinc/62/20/99/1088622099.db2.gz BEFIUCMGXBTGEB-GFCCVEGCSA-N 1 0 316.336 3.015 20 5 DGBDRO Cc1c(C)c(-n2c(CC[NH3+])cc3ccccc32)ncc1[N+](=O)[O-] ZINC001160126479 1088652467 /nfs/dbraw/zinc/65/24/67/1088652467.db2.gz UBJAVYNBZARMHP-UHFFFAOYSA-N 1 0 310.357 3.052 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2ccccc2O[C@H]2CCC[NH2+]C2)c1 ZINC001160232691 1088713327 /nfs/dbraw/zinc/71/33/27/1088713327.db2.gz GNKKEXRNJVEHND-HNNXBMFYSA-N 1 0 313.357 3.469 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2ccccc2O[C@H]2CCC[NH2+]C2)cc1 ZINC001160237225 1088716376 /nfs/dbraw/zinc/71/63/76/1088716376.db2.gz ZDWWKODPVPMLAF-HNNXBMFYSA-N 1 0 313.357 3.469 20 5 DGBDRO [NH3+]Cc1cccc2ccn(-c3cc([N+](=O)[O-])cc(Cl)n3)c21 ZINC001160453088 1088810074 /nfs/dbraw/zinc/81/00/74/1088810074.db2.gz DXXQNCNHSXGWTR-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001154983678 1088870804 /nfs/dbraw/zinc/87/08/04/1088870804.db2.gz ALVQZIVNFJZCKS-ZJUUUORDSA-N 1 0 320.780 3.478 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001155025982 1088901996 /nfs/dbraw/zinc/90/19/96/1088901996.db2.gz RGXYZNUOAVEFAR-GXTWGEPZSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001155032410 1088907330 /nfs/dbraw/zinc/90/73/30/1088907330.db2.gz XPDNBPMJIIRVAR-GXTWGEPZSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1C[C@@H](CNc2nc3ccccc3c(Cl)c2[N+](=O)[O-])C[NH2+]1 ZINC001155101368 1088945689 /nfs/dbraw/zinc/94/56/89/1088945689.db2.gz VQNCAKRTHJMQJA-NXEZZACHSA-N 1 0 320.780 3.206 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@@]3(F)CCCC[NH2+]C3)c2c1 ZINC001155120792 1088961274 /nfs/dbraw/zinc/96/12/74/1088961274.db2.gz ZSXNWEDYGURQAI-MRXNPFEDSA-N 1 0 318.352 3.037 20 5 DGBDRO CCC(CC)[NH+]1CCC(Nc2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001161098920 1089114812 /nfs/dbraw/zinc/11/48/12/1089114812.db2.gz RRUQTRCJFHXSHD-UHFFFAOYSA-N 1 0 322.409 3.063 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c(Cl)c1 ZINC001155550919 1089157006 /nfs/dbraw/zinc/15/70/06/1089157006.db2.gz YGEQOAKQTXQPFS-KGLIPLIRSA-N 1 0 318.764 3.158 20 5 DGBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](CC3CCC3)CC2)c(F)c1 ZINC001161233682 1089163174 /nfs/dbraw/zinc/16/31/74/1089163174.db2.gz YVDVUXWNQDDEDH-UHFFFAOYSA-N 1 0 322.384 3.053 20 5 DGBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001161412633 1089233870 /nfs/dbraw/zinc/23/38/70/1089233870.db2.gz DZJZXVDKTCLXCB-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO [NH3+]C1(CC2CCC2)CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001161569589 1089290739 /nfs/dbraw/zinc/29/07/39/1089290739.db2.gz NAFMYIWCYJVNGG-UHFFFAOYSA-N 1 0 324.812 3.131 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N(CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161677822 1089341848 /nfs/dbraw/zinc/34/18/48/1089341848.db2.gz UOGUYJVFYCDQBK-HDJSIYSDSA-N 1 0 320.437 3.421 20 5 DGBDRO O=[N+]([O-])c1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC001161885647 1089455582 /nfs/dbraw/zinc/45/55/82/1089455582.db2.gz WLDUWYIWEIOCJV-HNNXBMFYSA-N 1 0 312.373 3.066 20 5 DGBDRO [NH3+]Cc1cccn1-c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001156730547 1089666358 /nfs/dbraw/zinc/66/63/58/1089666358.db2.gz METRJVSNFKYGDQ-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001162455496 1089740043 /nfs/dbraw/zinc/74/00/43/1089740043.db2.gz TZPNBJZCFSQRAD-CHWSQXEVSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001162464995 1089746836 /nfs/dbraw/zinc/74/68/36/1089746836.db2.gz AXIFJMONAWAJQQ-JSGCOSHPSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001162464997 1089747463 /nfs/dbraw/zinc/74/74/63/1089747463.db2.gz AXIFJMONAWAJQQ-TZMCWYRMSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001162467022 1089749079 /nfs/dbraw/zinc/74/90/79/1089749079.db2.gz OSWIFISOTLSOEF-STQMWFEESA-N 1 0 314.389 3.191 20 5 DGBDRO CCOc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001162472058 1089750782 /nfs/dbraw/zinc/75/07/82/1089750782.db2.gz UNPJULKVMZXWAE-QWHCGFSZSA-N 1 0 307.394 3.041 20 5 DGBDRO C[C@@H]1C[C@@H](CNc2nc(-c3ccccc3)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001162552685 1089785436 /nfs/dbraw/zinc/78/54/36/1089785436.db2.gz OIZWVCHPDKSGQQ-CHWSQXEVSA-N 1 0 312.373 3.067 20 5 DGBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001162766790 1089942511 /nfs/dbraw/zinc/94/25/11/1089942511.db2.gz PNGPFLOPEUYMOO-SNVBAGLBSA-N 1 0 321.340 3.435 20 5 DGBDRO Cc1c(F)cc([N+](=O)[O-])cc1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162853794 1089992666 /nfs/dbraw/zinc/99/26/66/1089992666.db2.gz GNXPOIDSOWZAER-LBPRGKRZSA-N 1 0 301.321 3.064 20 5 DGBDRO CN(CCC[NH+](C)C)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001162915248 1090025058 /nfs/dbraw/zinc/02/50/58/1090025058.db2.gz DNQJRFNXGHBDHN-UHFFFAOYSA-N 1 0 305.300 3.002 20 5 DGBDRO c1ccc2cc3c(cc2c1)ncnc3N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162983856 1090046114 /nfs/dbraw/zinc/04/61/14/1090046114.db2.gz NTLNMQKBNPGEMN-PKOBYXMFSA-N 1 0 304.397 3.480 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001157797767 1090114001 /nfs/dbraw/zinc/11/40/01/1090114001.db2.gz YIUVFAGLKMJPJG-GJZGRUSLSA-N 1 0 314.389 3.428 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2nccc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC001163357829 1090159933 /nfs/dbraw/zinc/15/99/33/1090159933.db2.gz MJBLVRUTEWGFDQ-CMPLNLGQSA-N 1 0 312.801 3.174 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2nccc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC001163357833 1090160181 /nfs/dbraw/zinc/16/01/81/1090160181.db2.gz MJBLVRUTEWGFDQ-ZYHUDNBSSA-N 1 0 312.801 3.174 20 5 DGBDRO C[NH2+]CCN(C)c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001163720606 1090241743 /nfs/dbraw/zinc/24/17/43/1090241743.db2.gz DXQCKHRNCNJRNO-UHFFFAOYSA-N 1 0 300.793 3.092 20 5 DGBDRO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001164310821 1090398579 /nfs/dbraw/zinc/39/85/79/1090398579.db2.gz XBCIMXWFWDPLKN-ZDUSSCGKSA-N 1 0 324.425 3.165 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001164393809 1090419261 /nfs/dbraw/zinc/41/92/61/1090419261.db2.gz LDOLBKJHWHVYPP-ZDUSSCGKSA-N 1 0 324.425 3.309 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001165320224 1090501952 /nfs/dbraw/zinc/50/19/52/1090501952.db2.gz PDOQCJJIOFSEAG-CYBMUJFWSA-N 1 0 324.812 3.002 20 5 DGBDRO Cc1ccc2ncc(C[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)n2c1 ZINC001203408383 1090731471 /nfs/dbraw/zinc/73/14/71/1090731471.db2.gz JXFIOWOOJJRLMB-UHFFFAOYSA-N 1 0 310.357 3.149 20 5 DGBDRO CC1=CCC[C@@H](C)[C@@H]1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001205668059 1091305194 /nfs/dbraw/zinc/30/51/94/1091305194.db2.gz TZMYMMXUJBMMTG-RHSMWYFYSA-N 1 0 303.406 3.352 20 5 DGBDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC[N+](=O)[O-])s2)cc1 ZINC001119735549 1091611079 /nfs/dbraw/zinc/61/10/79/1091611079.db2.gz RSSZTRXOFSFEIK-SNVBAGLBSA-N 1 0 321.402 3.054 20 5 DGBDRO Cn1cc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC001206694787 1091704205 /nfs/dbraw/zinc/70/42/05/1091704205.db2.gz MSHCEDKKWVOOMI-UHFFFAOYSA-N 1 0 323.396 3.461 20 5 DGBDRO Cc1ccc(N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001307210489 1091737736 /nfs/dbraw/zinc/73/77/36/1091737736.db2.gz NKGIDQRDQGUFEZ-AWEZNQCLSA-N 1 0 303.406 3.356 20 5 DGBDRO Nc1cc(CCCCNc2ncc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC001307218892 1091797571 /nfs/dbraw/zinc/79/75/71/1091797571.db2.gz HUAQYUWMTBLSNY-UHFFFAOYSA-N 1 0 321.768 3.055 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001207862350 1092123177 /nfs/dbraw/zinc/12/31/77/1092123177.db2.gz WIDUYNMHEGTJNX-GHHZWIFUSA-N 1 0 316.401 3.216 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOc2cccc3ccccc32)C1 ZINC001168978211 1092456742 /nfs/dbraw/zinc/45/67/42/1092456742.db2.gz PVIQZMYXHGIYRO-HOCLYGCPSA-N 1 0 314.385 3.254 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(F)c(F)cc2Cl)C1 ZINC001168978632 1092458572 /nfs/dbraw/zinc/45/85/72/1092458572.db2.gz TVELPYONIRPYLA-WPRPVWTQSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC001168983733 1092461166 /nfs/dbraw/zinc/46/11/66/1092461166.db2.gz LBXLXGLTCLLKBJ-JSGCOSHPSA-N 1 0 316.323 3.283 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccnc(Cl)c2)C2CC2)C1 ZINC001168984449 1092463038 /nfs/dbraw/zinc/46/30/38/1092463038.db2.gz OANKMJPKDKVBDJ-YVLXSGLVSA-N 1 0 309.797 3.221 20 5 DGBDRO Cc1cc(C)cc(OC[C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168962809 1092466152 /nfs/dbraw/zinc/46/61/52/1092466152.db2.gz MZXBBQBZDZSCPY-HRCADAONSA-N 1 0 306.406 3.106 20 5 DGBDRO [NH3+]CCc1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccc(Cl)cc12 ZINC001168967132 1092468326 /nfs/dbraw/zinc/46/83/26/1092468326.db2.gz NPKVOMRRVWKFCK-FZMZJTMJSA-N 1 0 321.808 3.414 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001168967363 1092468595 /nfs/dbraw/zinc/46/85/95/1092468595.db2.gz PAKPXNMTISSKIS-NOZJJQNGSA-N 1 0 320.286 3.380 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)C1 ZINC001168966954 1092468641 /nfs/dbraw/zinc/46/86/41/1092468641.db2.gz MKANFXNCVUGOTO-MWLCHTKSSA-N 1 0 320.286 3.380 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001168967115 1092468972 /nfs/dbraw/zinc/46/89/72/1092468972.db2.gz NIHNDMMJUXIAAE-GHMZBOCLSA-N 1 0 320.286 3.380 20 5 DGBDRO COc1ccccc1CC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168991587 1092474445 /nfs/dbraw/zinc/47/44/45/1092474445.db2.gz HUBYWTVUNVNJNC-GOEBONIOSA-N 1 0 318.417 3.195 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001168975723 1092474678 /nfs/dbraw/zinc/47/46/78/1092474678.db2.gz WZKJQOPPTILOHV-CABZTGNLSA-N 1 0 320.286 3.380 20 5 DGBDRO Cc1ccc(CC2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168995159 1092476583 /nfs/dbraw/zinc/47/65/83/1092476583.db2.gz RWBIUODVAHUEEA-SJORKVTESA-N 1 0 302.418 3.353 20 5 DGBDRO COc1ccccc1CC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992504 1092477525 /nfs/dbraw/zinc/47/75/25/1092477525.db2.gz KFLAXTPGZQHRQD-HOCLYGCPSA-N 1 0 318.417 3.053 20 5 DGBDRO Cc1ccc(CC2(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168995151 1092477661 /nfs/dbraw/zinc/47/76/61/1092477661.db2.gz RWBIUODVAHUEEA-DLBZAZTESA-N 1 0 302.418 3.353 20 5 DGBDRO COc1cccc(C2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001168992913 1092477685 /nfs/dbraw/zinc/47/76/85/1092477685.db2.gz LJURFNXKARCITM-UKRRQHHQSA-N 1 0 304.390 3.109 20 5 DGBDRO COc1ccc(CC2(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168997710 1092479515 /nfs/dbraw/zinc/47/95/15/1092479515.db2.gz FASCGKGXZQLJIK-JKSUJKDBSA-N 1 0 318.417 3.053 20 5 DGBDRO COc1ccccc1CC(C)(C)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168999459 1092481168 /nfs/dbraw/zinc/48/11/68/1092481168.db2.gz UBIFMQXKWMHNKT-ZBFHGGJFSA-N 1 0 320.433 3.299 20 5 DGBDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169003061 1092481474 /nfs/dbraw/zinc/48/14/74/1092481474.db2.gz MSJAAWIEOWWYKU-DXCKQFNASA-N 1 0 304.390 3.108 20 5 DGBDRO COc1cccc([C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC2)c1 ZINC001169004897 1092483255 /nfs/dbraw/zinc/48/32/55/1092483255.db2.gz RSVKYLAQYSPJMB-ISTRZQFTSA-N 1 0 304.390 3.181 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ncccc2Cl)C2CC2)C1 ZINC001169006217 1092485469 /nfs/dbraw/zinc/48/54/69/1092485469.db2.gz WRTCPOZNOIERBL-OSMZGAPFSA-N 1 0 309.797 3.221 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CCc4ccccc43)CC2)C1 ZINC001169011879 1092487211 /nfs/dbraw/zinc/48/72/11/1092487211.db2.gz NDRPAJDFLTUJGU-DOTOQJQBSA-N 1 0 314.429 3.412 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)C1 ZINC001169010229 1092487902 /nfs/dbraw/zinc/48/79/02/1092487902.db2.gz BMCRWXKHYHIAAX-WBVHZDCISA-N 1 0 312.413 3.492 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C1 ZINC001169030374 1092493614 /nfs/dbraw/zinc/49/36/14/1092493614.db2.gz ZBYSSOZMEWVVSJ-SUMWQHHRSA-N 1 0 306.381 3.451 20 5 DGBDRO Cc1ccc2c(c1)c1c(n2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[NH2+]C1 ZINC001169027826 1092493771 /nfs/dbraw/zinc/49/37/71/1092493771.db2.gz QVHTTWGWKGTMNB-ZIAGYGMSSA-N 1 0 313.401 3.213 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC001169034944 1092496465 /nfs/dbraw/zinc/49/64/65/1092496465.db2.gz ISYBGGVWCVQLMR-VNQPRFMTSA-N 1 0 306.431 3.222 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](Sc3ccncc3)C2)C1 ZINC001169033313 1092496692 /nfs/dbraw/zinc/49/66/92/1092496692.db2.gz BWSCCILUALCDEZ-IIAWOOMASA-N 1 0 321.446 3.084 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)C1 ZINC001169032984 1092497213 /nfs/dbraw/zinc/49/72/13/1092497213.db2.gz AMYUMWROQVTVIU-DAXOMENPSA-N 1 0 324.421 3.361 20 5 DGBDRO COc1ccc(C2=CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169042164 1092501669 /nfs/dbraw/zinc/50/16/69/1092501669.db2.gz DHKDGHSAGQGHSF-PBHICJAKSA-N 1 0 316.401 3.230 20 5 DGBDRO COc1cccc(CCC[N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169038805 1092501974 /nfs/dbraw/zinc/50/19/74/1092501974.db2.gz KNTPWFNOUGMTDC-HOTGVXAUSA-N 1 0 306.406 3.005 20 5 DGBDRO Cc1ccc(OC2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169024375 1092504938 /nfs/dbraw/zinc/50/49/38/1092504938.db2.gz GVELALXCLANCAA-HOTGVXAUSA-N 1 0 318.417 3.284 20 5 DGBDRO CCC(CC)CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001169361330 1092654473 /nfs/dbraw/zinc/65/44/73/1092654473.db2.gz PYNAMMORAQAJCY-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(CC[NH+](C)C)cc1 ZINC001210448119 1093169503 /nfs/dbraw/zinc/16/95/03/1093169503.db2.gz SKTSVGXKYLOYCO-UHFFFAOYSA-N 1 0 315.373 3.451 20 5 DGBDRO C[N@@H+]1CCc2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)cc2C1 ZINC001211196838 1093413975 /nfs/dbraw/zinc/41/39/75/1093413975.db2.gz GEWNSOKRKMBAGE-UHFFFAOYSA-N 1 0 301.321 3.465 20 5 DGBDRO Cc1c(Nc2c[nH+]ccc2N(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211292782 1093447210 /nfs/dbraw/zinc/44/72/10/1093447210.db2.gz UJMFHPZDGMTWLB-UHFFFAOYSA-N 1 0 317.305 3.016 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@H]1C[NH2+]CCOC1 ZINC001217785305 1094494965 /nfs/dbraw/zinc/49/49/65/1094494965.db2.gz JAAJOZJTGYXZPI-KRWDZBQOSA-N 1 0 307.393 3.498 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C[C@@H]2F)cc1C(F)(F)F ZINC001217944164 1094523081 /nfs/dbraw/zinc/52/30/81/1094523081.db2.gz AMVRJHRMTULMLR-JQWIXIFHSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C[C@H]2F)c(C(F)(F)F)c1 ZINC001217944277 1094524018 /nfs/dbraw/zinc/52/40/18/1094524018.db2.gz GWTUSBXRLULOIG-ZYHUDNBSSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CCC[NH2+]C[C@H]2F)c(Cl)c1 ZINC001217953630 1094528780 /nfs/dbraw/zinc/52/87/80/1094528780.db2.gz YRGKNRUKSADGKI-MNOVXSKESA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@H]2F)c2ccccc21 ZINC001217977901 1094537931 /nfs/dbraw/zinc/53/79/31/1094537931.db2.gz ORPYTOCCCJINJE-CZUORRHYSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217976269 1094538113 /nfs/dbraw/zinc/53/81/13/1094538113.db2.gz KWKXTGDUAOXHSI-JOYOIKCWSA-N 1 0 322.258 3.083 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217978841 1094539171 /nfs/dbraw/zinc/53/91/71/1094539171.db2.gz RHSWJVBZMCQWPT-MWLCHTKSSA-N 1 0 302.733 3.026 20 5 DGBDRO F[C@H]1CCC[NH2+]C[C@@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001217979622 1094539646 /nfs/dbraw/zinc/53/96/46/1094539646.db2.gz HGWUENULOUTTPT-UGSOOPFHSA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC[C@H]2F)cc(C(F)(F)F)c1 ZINC001217980826 1094540351 /nfs/dbraw/zinc/54/03/51/1094540351.db2.gz MVTNYAAVXXDVMG-VXGBXAGGSA-N 1 0 322.258 3.083 20 5 DGBDRO F[C@@H]1CCC[NH2+]C[C@@H]1Oc1cccc2nc3ccccc3nc21 ZINC001217982923 1094541348 /nfs/dbraw/zinc/54/13/48/1094541348.db2.gz XPRCOOIFDMIUOO-PXAZEXFGSA-N 1 0 311.360 3.252 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001217989702 1094545731 /nfs/dbraw/zinc/54/57/31/1094545731.db2.gz SXVFHLKDBYDEMS-UFBFGSQYSA-N 1 0 302.733 3.154 20 5 DGBDRO O=c1oc2cc(O[C@@H]3CCC[NH2+]CC3)ccc2c2ccccc21 ZINC001217993654 1094547916 /nfs/dbraw/zinc/54/79/16/1094547916.db2.gz BAWFRCRAUDGJFJ-CYBMUJFWSA-N 1 0 309.365 3.467 20 5 DGBDRO C[C@@H](Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218001753 1094551849 /nfs/dbraw/zinc/55/18/49/1094551849.db2.gz HIKISYZHKVYZHY-SECBINFHSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]CC[C@H]2F)c2ccccc21 ZINC001218015274 1094560949 /nfs/dbraw/zinc/56/09/49/1094560949.db2.gz KSRJMXDGOYGZCO-CJNGLKHVSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]CC[C@@H]2F)cc(C(F)(F)F)c1 ZINC001218016507 1094562058 /nfs/dbraw/zinc/56/20/58/1094562058.db2.gz FFGBNXJBIUOEGD-RYUDHWBXSA-N 1 0 322.258 3.083 20 5 DGBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1c2c(O)cccc2cc2cccc(O)c21 ZINC001218033509 1094570512 /nfs/dbraw/zinc/57/05/12/1094570512.db2.gz AJLSMGFBFPSTIF-BDJLRTHQSA-N 1 0 309.365 3.391 20 5 DGBDRO c1ccc2nc3cc(OC4CC5(C4)CC[NH2+]C5)ccc3nc2c1 ZINC001218059794 1094580254 /nfs/dbraw/zinc/58/02/54/1094580254.db2.gz BTNORJWUKYDASF-UHFFFAOYSA-N 1 0 305.381 3.304 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3CC[NH2+]C[C@H]3F)cc2)c1 ZINC001218068668 1094585938 /nfs/dbraw/zinc/58/59/38/1094585938.db2.gz FNXIQHADAAOAPO-SJORKVTESA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218080424 1094590321 /nfs/dbraw/zinc/59/03/21/1094590321.db2.gz NRQOSZDRRONIFR-ZDUSSCGKSA-N 1 0 314.744 3.298 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218090268 1094595379 /nfs/dbraw/zinc/59/53/79/1094595379.db2.gz MLGCZIWENQWRNP-KGLIPLIRSA-N 1 0 314.744 3.298 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc([N+](=O)[O-])c1 ZINC001336272741 1094610942 /nfs/dbraw/zinc/61/09/42/1094610942.db2.gz VHONCENISIRRLO-UMGHXEBTSA-N 1 0 312.316 3.298 20 5 DGBDRO CC(C)(C)c1ccc(O[C@H]2CC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218115012 1094614057 /nfs/dbraw/zinc/61/40/57/1094614057.db2.gz MJAAFCSUJRFFSZ-RDJZCZTQSA-N 1 0 304.390 3.413 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CC[C@@]23CC[NH2+]C3)c(Cl)c1 ZINC001218120731 1094618190 /nfs/dbraw/zinc/61/81/90/1094618190.db2.gz WONGNPZACYFVIU-AAEUAGOBSA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218119385 1094618509 /nfs/dbraw/zinc/61/85/09/1094618509.db2.gz XXANKMYTUXKXNU-CHWSQXEVSA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc3c(c2)CC[NH2+]C3)c1F ZINC001159603394 1094688369 /nfs/dbraw/zinc/68/83/69/1094688369.db2.gz HUONPKKWSJVLDW-UHFFFAOYSA-N 1 0 305.284 3.262 20 5 DGBDRO C[NH+](C)CCSc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001336710769 1094706478 /nfs/dbraw/zinc/70/64/78/1094706478.db2.gz XAJHSBBHNOFQJL-UHFFFAOYSA-N 1 0 311.794 3.450 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@H]34)cc2)c1 ZINC001218331892 1094722132 /nfs/dbraw/zinc/72/21/32/1094722132.db2.gz UTANPHHMTFOGOW-FHLIZLRMSA-N 1 0 310.353 3.249 20 5 DGBDRO COc1cccc(F)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001336778019 1094737322 /nfs/dbraw/zinc/73/73/22/1094737322.db2.gz SGYRFTNPYJFGCE-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO C[C@H]1CC[C@@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C[NH2+]1 ZINC001218395538 1094749566 /nfs/dbraw/zinc/74/95/66/1094749566.db2.gz WMVSUBZVXXRQLZ-GXTWGEPZSA-N 1 0 309.365 3.466 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc2c(c1)oc1ccccc1c2=O ZINC001218415736 1094763202 /nfs/dbraw/zinc/76/32/02/1094763202.db2.gz PWYGMCHFXLFFLS-MLGOLLRUSA-N 1 0 309.365 3.323 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC001218420962 1094766967 /nfs/dbraw/zinc/76/69/67/1094766967.db2.gz VEMPKWPBRVNXQR-SJCJKPOMSA-N 1 0 309.365 3.323 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218443067 1094776621 /nfs/dbraw/zinc/77/66/21/1094776621.db2.gz WOPQGWYCQWUMST-IIDMSEBBSA-N 1 0 310.353 3.391 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218468750 1094794057 /nfs/dbraw/zinc/79/40/57/1094794057.db2.gz SOCXPWVEKVIDNP-QOSJWCAFSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c(Cl)cc1Cl ZINC001218473271 1094797428 /nfs/dbraw/zinc/79/74/28/1094797428.db2.gz PTDDDQXIOIGEJD-YVZVNANGSA-N 1 0 317.172 3.278 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001218480476 1094803208 /nfs/dbraw/zinc/80/32/08/1094803208.db2.gz AELQKCRHSFFTAK-KRTXAFLBSA-N 1 0 305.161 3.278 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC001218481844 1094804118 /nfs/dbraw/zinc/80/41/18/1094804118.db2.gz OREQQHRFHBAMRF-XIKOKIGWSA-N 1 0 309.365 3.323 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]Cc3ccccc32)ccc1Cl ZINC001218492162 1094820295 /nfs/dbraw/zinc/82/02/95/1094820295.db2.gz ZYGWCVOZFKLWAM-OAHLLOKOSA-N 1 0 304.733 3.472 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(O[C@@H]3C[NH2+]Cc4ccccc43)nc21 ZINC001218491519 1094820837 /nfs/dbraw/zinc/82/08/37/1094820837.db2.gz VAQAPSCMAYIFDP-MRXNPFEDSA-N 1 0 321.336 3.366 20 5 DGBDRO CC[C@H](C)[C@@H]([NH2+]C)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979390 1094918018 /nfs/dbraw/zinc/91/80/18/1094918018.db2.gz GJAQOGHZNPFEFU-BLLLJJGKSA-N 1 0 322.412 3.356 20 5 DGBDRO [NH3+][C@@H]1CC[C@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC001122326804 1094952898 /nfs/dbraw/zinc/95/28/98/1094952898.db2.gz IDNUXJDMNRDAPA-DZGCQCFKSA-N 1 0 319.408 3.245 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001337406382 1094963724 /nfs/dbraw/zinc/96/37/24/1094963724.db2.gz BXMAUPJFQKIZSX-LSDHHAIUSA-N 1 0 304.390 3.486 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001116478408 1095570959 /nfs/dbraw/zinc/57/09/59/1095570959.db2.gz HVOJMUXTYBFIKD-UKPHBRMFSA-N 1 0 304.390 3.140 20 5 DGBDRO CC(C)c1nc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cs1 ZINC001117640347 1095790084 /nfs/dbraw/zinc/79/00/84/1095790084.db2.gz XVCLDRUEEAQBPC-UHFFFAOYSA-N 1 0 320.418 3.140 20 5 DGBDRO Cn1cc(C[NH2+]C/C=C/C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001117721922 1095813886 /nfs/dbraw/zinc/81/38/86/1095813886.db2.gz CKNVUXXMQZKNIN-NSCUHMNNSA-N 1 0 312.373 3.051 20 5 DGBDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001118325037 1095983246 /nfs/dbraw/zinc/98/32/46/1095983246.db2.gz BTYGDOIXXBWLEL-YQQAZPJKSA-N 1 0 303.406 3.045 20 5 DGBDRO Cc1csc(CCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC001340597611 1095984922 /nfs/dbraw/zinc/98/49/22/1095984922.db2.gz OBHNCYWLMPBHHH-LLVKDONJSA-N 1 0 320.418 3.225 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1CO[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001223539439 1095995218 /nfs/dbraw/zinc/99/52/18/1095995218.db2.gz RUNDGXNNRVNONW-HALDLXJZSA-N 1 0 304.390 3.150 20 5 DGBDRO C[N+](C)(C)CCCO[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001224621052 1096248566 /nfs/dbraw/zinc/24/85/66/1096248566.db2.gz JMYSFYOZCFAYNR-CYBMUJFWSA-N 1 0 321.319 3.311 20 5 DGBDRO CCCC[NH+](CCCC)CCCO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001224755322 1096278648 /nfs/dbraw/zinc/27/86/48/1096278648.db2.gz MMBOEKJPOSODOP-INIZCTEOSA-N 1 0 300.443 3.351 20 5 DGBDRO C[N@@H+]1CCC[C@H]1CO[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001224830000 1096296860 /nfs/dbraw/zinc/29/68/60/1096296860.db2.gz LGSXQOYNORPOGN-QWHCGFSZSA-N 1 0 318.295 3.309 20 5 DGBDRO [NH3+]Cc1ccc2cn(-c3cc([N+](=O)[O-])ccc3Cl)nc2c1 ZINC001171325126 1096339351 /nfs/dbraw/zinc/33/93/51/1096339351.db2.gz UZUMAPJOVIWUNO-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO O=[N+]([O-])c1cc(NC[C@@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC001171335583 1096411690 /nfs/dbraw/zinc/41/16/90/1096411690.db2.gz YTXNTGJLWGXSES-JTQLQIEISA-N 1 0 303.284 3.168 20 5 DGBDRO O=[N+]([O-])c1ncccc1O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001225628304 1096488566 /nfs/dbraw/zinc/48/85/66/1096488566.db2.gz GYMBFAPZEOAHBY-OAHLLOKOSA-N 1 0 313.357 3.033 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001226194612 1096634981 /nfs/dbraw/zinc/63/49/81/1096634981.db2.gz DCBMRGAFSMKYQC-VIFPVBQESA-N 1 0 304.749 3.496 20 5 DGBDRO C[NH+]1C(C)(C)CC(Oc2c(O)cccc2[N+](=O)[O-])CC1(C)C ZINC001226332774 1096664165 /nfs/dbraw/zinc/66/41/65/1096664165.db2.gz DYJLDMBAEVZHTP-UHFFFAOYSA-N 1 0 308.378 3.331 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1c(O)cccc1[N+](=O)[O-])c1cccs1 ZINC001226334505 1096665312 /nfs/dbraw/zinc/66/53/12/1096665312.db2.gz WAPCQYWTKPNIBC-ZDUSSCGKSA-N 1 0 322.386 3.434 20 5 DGBDRO COc1cc(OC2CC(C)(C)[NH+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC001226580459 1096726783 /nfs/dbraw/zinc/72/67/83/1096726783.db2.gz AMSAHGHDVGNIKH-UHFFFAOYSA-N 1 0 323.393 3.029 20 5 DGBDRO Nc1cc(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc[nH+]1 ZINC001226653922 1096743601 /nfs/dbraw/zinc/74/36/01/1096743601.db2.gz SXVMRYWVGJDBLH-GFCCVEGCSA-N 1 0 313.235 3.254 20 5 DGBDRO CC[NH+]1CCC(Oc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC001226908377 1096812569 /nfs/dbraw/zinc/81/25/69/1096812569.db2.gz FXSGDIZBQRWIJQ-UHFFFAOYSA-N 1 0 302.733 3.250 20 5 DGBDRO Cc1ccc(OC2CC(C)(C)[NH+](C)C(C)(C)C2)c([N+](=O)[O-])n1 ZINC001227222825 1096899741 /nfs/dbraw/zinc/89/97/41/1096899741.db2.gz WVUIGSJUSFRJBH-UHFFFAOYSA-N 1 0 307.394 3.328 20 5 DGBDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001227523553 1096943424 /nfs/dbraw/zinc/94/34/24/1096943424.db2.gz MHBACFPUTHVMCF-CZUORRHYSA-N 1 0 313.357 3.204 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1cncc([N+](=O)[O-])c1)c1ccccc1 ZINC001227988292 1097026076 /nfs/dbraw/zinc/02/60/76/1097026076.db2.gz QLDGCQOUWPEGGM-INIZCTEOSA-N 1 0 301.346 3.062 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1OC1CCN(CCF)CC1 ZINC001228003536 1097029432 /nfs/dbraw/zinc/02/94/32/1097029432.db2.gz ZHJOTYSPIODAAR-UHFFFAOYSA-N 1 0 302.733 3.061 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228138561 1097060625 /nfs/dbraw/zinc/06/06/25/1097060625.db2.gz MHIDCGXWAFKZQZ-CYBMUJFWSA-N 1 0 315.373 3.395 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cc2ccc(O)cc2)cc1 ZINC001228193941 1097071299 /nfs/dbraw/zinc/07/12/99/1097071299.db2.gz CPWSPXVKOQYHFV-OAHLLOKOSA-O 1 0 300.422 3.457 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228209330 1097074284 /nfs/dbraw/zinc/07/42/84/1097074284.db2.gz NSUZEBZXXQLVDY-NSHDSACASA-N 1 0 307.375 3.066 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2c(Br)cccc21 ZINC001228594450 1097149163 /nfs/dbraw/zinc/14/91/63/1097149163.db2.gz UDHJZKKSWBVERV-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ccccc2n1-c1ccccc1 ZINC001228679397 1097165316 /nfs/dbraw/zinc/16/53/16/1097165316.db2.gz PCRYNJDEGUTHSN-HNNXBMFYSA-N 1 0 310.421 3.499 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2ccc(C(F)(F)F)cc21 ZINC001229012378 1097236821 /nfs/dbraw/zinc/23/68/21/1097236821.db2.gz VZWKLYOOQLEQTI-JTQLQIEISA-N 1 0 314.331 3.122 20 5 DGBDRO COC(=O)c1cccc2c(O[C@H](C)C[N+](C)(C)C)cccc12 ZINC001229091904 1097254726 /nfs/dbraw/zinc/25/47/26/1097254726.db2.gz QHSTUMBSJVIOKN-CYBMUJFWSA-N 1 0 302.394 3.100 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172897115 1097267468 /nfs/dbraw/zinc/26/74/68/1097267468.db2.gz XKCHBLSYBXBLKF-QGZVFWFLSA-N 1 0 311.385 3.335 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CCSCC1)CC2 ZINC001172899686 1097267523 /nfs/dbraw/zinc/26/75/23/1097267523.db2.gz OUUIGDCMNFKBRT-CQSZACIVSA-N 1 0 306.431 3.327 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172902427 1097268334 /nfs/dbraw/zinc/26/83/34/1097268334.db2.gz YHQQZPBQSCFCHX-JKSUJKDBSA-N 1 0 318.417 3.389 20 5 DGBDRO NC(=[NH2+])N(c1ccccc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902092 1097268356 /nfs/dbraw/zinc/26/83/56/1097268356.db2.gz VAYMAYDWFWSYND-INIZCTEOSA-N 1 0 324.384 3.242 20 5 DGBDRO CCC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCOCC1 ZINC001172900442 1097268414 /nfs/dbraw/zinc/26/84/14/1097268414.db2.gz DTCUUDPUEFKFAO-MRXNPFEDSA-N 1 0 318.417 3.391 20 5 DGBDRO COC1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172902456 1097268532 /nfs/dbraw/zinc/26/85/32/1097268532.db2.gz YRQRVEJOCQZTGN-KLHKWILBSA-N 1 0 318.417 3.389 20 5 DGBDRO CC(=O)CC(C)(C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903011 1097269157 /nfs/dbraw/zinc/26/91/57/1097269157.db2.gz OTOJDXKKUQUVAZ-HNNXBMFYSA-N 1 0 304.390 3.190 20 5 DGBDRO COC[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906257 1097269185 /nfs/dbraw/zinc/26/91/85/1097269185.db2.gz WRXQHCUKNNJCLY-AEFFLSMTSA-N 1 0 318.417 3.343 20 5 DGBDRO CCC[N@H+](CCOC)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907679 1097269740 /nfs/dbraw/zinc/26/97/40/1097269740.db2.gz HNDVFHKWVUHRCP-INIZCTEOSA-N 1 0 306.406 3.201 20 5 DGBDRO COCC1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172908279 1097269864 /nfs/dbraw/zinc/26/98/64/1097269864.db2.gz LOYDWIIUJCNZKF-KRWDZBQOSA-N 1 0 318.417 3.201 20 5 DGBDRO Cc1ncc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)s1 ZINC001172896320 1097278145 /nfs/dbraw/zinc/27/81/45/1097278145.db2.gz OANITDIZCCVMPK-AWEZNQCLSA-N 1 0 317.414 3.397 20 5 DGBDRO Cc1cncc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172896702 1097278284 /nfs/dbraw/zinc/27/82/84/1097278284.db2.gz RIKQXGJCUPJXIO-KRWDZBQOSA-N 1 0 311.385 3.335 20 5 DGBDRO CCN(CC)CC[N@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909581 1097291651 /nfs/dbraw/zinc/29/16/51/1097291651.db2.gz SXJQTYGOQAGYHC-KRWDZBQOSA-N 1 0 319.449 3.116 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(CCO3)CC1)CC2 ZINC001172912902 1097292220 /nfs/dbraw/zinc/29/22/20/1097292220.db2.gz CRLSPAGXMBZCGT-MRXNPFEDSA-N 1 0 316.401 3.097 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1cc([N+](=O)[O-])cc2cccnc21 ZINC001229344184 1097301274 /nfs/dbraw/zinc/30/12/74/1097301274.db2.gz RVANYAUARSVXDQ-LBPRGKRZSA-N 1 0 303.362 3.252 20 5 DGBDRO COC(=O)c1cc2ccccc2cc1O[C@@H](C)C[N+](C)(C)C ZINC001229359863 1097305518 /nfs/dbraw/zinc/30/55/18/1097305518.db2.gz KTILEFNBCUUSNL-ZDUSSCGKSA-N 1 0 302.394 3.100 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(F)CC2)c1F ZINC001173182888 1097356850 /nfs/dbraw/zinc/35/68/50/1097356850.db2.gz VNMSIXNTSVZGSV-SNVBAGLBSA-N 1 0 314.332 3.107 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC2(COC2)CC1 ZINC001173216312 1097367980 /nfs/dbraw/zinc/36/79/80/1097367980.db2.gz IQNQZDMCCYXDSM-CQSZACIVSA-N 1 0 318.417 3.322 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H](C(C)(C)O)CC1 ZINC001173217878 1097368503 /nfs/dbraw/zinc/36/85/03/1097368503.db2.gz NCPLBXCNUBAEBM-BPUTZDHNSA-N 1 0 320.433 3.445 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncn1C1CCC1 ZINC001173218125 1097369177 /nfs/dbraw/zinc/36/91/77/1097369177.db2.gz BGGDBJQCDMKOHQ-ZDUSSCGKSA-N 1 0 314.389 3.237 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccc1Cl ZINC001173218183 1097369208 /nfs/dbraw/zinc/36/92/08/1097369208.db2.gz ORNTWEYUMMQJEP-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nn(C)c2ccccc12 ZINC001173218002 1097369232 /nfs/dbraw/zinc/36/92/32/1097369232.db2.gz ILDZMIOIMDYXCU-ZDUSSCGKSA-N 1 0 324.384 3.202 20 5 DGBDRO CC(=O)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001173218082 1097369699 /nfs/dbraw/zinc/36/96/99/1097369699.db2.gz OEOMYUXPJMVFBE-UGSOOPFHSA-N 1 0 312.369 3.446 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1noc2ccccc21 ZINC001173219540 1097370071 /nfs/dbraw/zinc/37/00/71/1097370071.db2.gz CWRWDQBXDTZPOA-GFCCVEGCSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001173220758 1097371815 /nfs/dbraw/zinc/37/18/15/1097371815.db2.gz CDDZAIVSXSZKMZ-RHSMWYFYSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)C[C@]1(C)CO ZINC001173221050 1097372418 /nfs/dbraw/zinc/37/24/18/1097372418.db2.gz FNCOXDVTQVTBHQ-SUMWQHHRSA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CCC(O)CC1 ZINC001173222337 1097372757 /nfs/dbraw/zinc/37/27/57/1097372757.db2.gz WNGIASGWJIEEJC-TUBUQKNSSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001173225139 1097374196 /nfs/dbraw/zinc/37/41/96/1097374196.db2.gz BNFOUQWFDCBPKE-HOCLYGCPSA-N 1 0 311.385 3.410 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCOC2)CC1 ZINC001173225401 1097374890 /nfs/dbraw/zinc/37/48/90/1097374890.db2.gz JRWQDVBXTXQRCV-CQSZACIVSA-N 1 0 304.390 3.028 20 5 DGBDRO COCC[C@H]1CCCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225712 1097375023 /nfs/dbraw/zinc/37/50/23/1097375023.db2.gz FNZXMTHCGGVIBN-GDBMZVCRSA-N 1 0 306.406 3.417 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1O ZINC001173225605 1097375074 /nfs/dbraw/zinc/37/50/74/1097375074.db2.gz SSMXJLYVIBVVGI-LBPRGKRZSA-N 1 0 316.357 3.030 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1Cc2ccc(F)cc2C1 ZINC001173228817 1097376426 /nfs/dbraw/zinc/37/64/26/1097376426.db2.gz KMKSHUAHVKJKCH-SJKOYZFVSA-N 1 0 314.360 3.422 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOc2ccccc2C1 ZINC001173228466 1097376580 /nfs/dbraw/zinc/37/65/80/1097376580.db2.gz XGIQHEZNAFLWEE-CQSZACIVSA-N 1 0 312.369 3.420 20 5 DGBDRO Cc1ccnc(CCC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173233039 1097377279 /nfs/dbraw/zinc/37/72/79/1097377279.db2.gz GUHPADIYDCBQPF-HNNXBMFYSA-N 1 0 313.401 3.452 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH3+])c2ccccc21 ZINC001173235478 1097378720 /nfs/dbraw/zinc/37/87/20/1097378720.db2.gz TZDVQTOSSOIHOK-DYVFJYSZSA-N 1 0 311.385 3.436 20 5 DGBDRO Cc1ccn2c(C[NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)cnc2c1 ZINC001173210407 1097381876 /nfs/dbraw/zinc/38/18/76/1097381876.db2.gz KJQHITMFAKVYDQ-CQSZACIVSA-N 1 0 324.384 3.272 20 5 DGBDRO Cc1cccc(Oc2cnc(O[C@@H](C)C[N+](C)(C)C)nc2)c1 ZINC001229813118 1097390972 /nfs/dbraw/zinc/39/09/72/1097390972.db2.gz FOYKGIVYOJJTGW-AWEZNQCLSA-N 1 0 302.398 3.051 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229830319 1097394742 /nfs/dbraw/zinc/39/47/42/1097394742.db2.gz ADMSFGVVXNUULF-LBPRGKRZSA-N 1 0 318.295 3.475 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)c(Br)cc1F ZINC001229850037 1097398331 /nfs/dbraw/zinc/39/83/31/1097398331.db2.gz PVXPABFPXXAKPS-QMMMGPOBSA-N 1 0 309.174 3.201 20 5 DGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229881138 1097404323 /nfs/dbraw/zinc/40/43/23/1097404323.db2.gz NQPHCCJNBCNTKM-XOIINTDNSA-N 1 0 304.390 3.321 20 5 DGBDRO COC(=O)C[C@H](c1cccc(O[C@H](C)C[N+](C)(C)C)c1)C(C)C ZINC001230998839 1097641543 /nfs/dbraw/zinc/64/15/43/1097641543.db2.gz GFLKGZCYEORIIF-QAPCUYQASA-N 1 0 322.469 3.463 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cnc3c(cccc3[N+](=O)[O-])c1)C2 ZINC001231157601 1097684125 /nfs/dbraw/zinc/68/41/25/1097684125.db2.gz FYJOEMVUVUPPHS-WDNDVIMCSA-N 1 0 313.357 3.147 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)ccc1Cc1ccccc1 ZINC001231192069 1097692286 /nfs/dbraw/zinc/69/22/86/1097692286.db2.gz RIYYNYXGDAFZDS-HNNXBMFYSA-O 1 0 300.422 3.457 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)[C@H]1CO ZINC001232218286 1097969669 /nfs/dbraw/zinc/96/96/69/1097969669.db2.gz FOCHWPJTNQVUIP-KDOFPFPSSA-N 1 0 321.424 3.376 20 5 DGBDRO COC1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232217817 1097969835 /nfs/dbraw/zinc/96/98/35/1097969835.db2.gz AZQKFYBSRSYKGT-UHFFFAOYSA-N 1 0 307.397 3.394 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(CN3CC[N@@H+]4CCC[C@@H]4C3)nc12 ZINC001232221653 1097973490 /nfs/dbraw/zinc/97/34/90/1097973490.db2.gz JKLBKYZOSIQMKO-GOSISDBHSA-N 1 0 318.424 3.063 20 5 DGBDRO C[NH+](C)CCOc1ccc(Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC001175736588 1098149954 /nfs/dbraw/zinc/14/99/54/1098149954.db2.gz BGLFVVOJBKXOAY-UHFFFAOYSA-N 1 0 319.336 3.418 20 5 DGBDRO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001176036588 1098239872 /nfs/dbraw/zinc/23/98/72/1098239872.db2.gz NZLWTWPNEYLVHC-LBPRGKRZSA-N 1 0 314.341 3.232 20 5 DGBDRO Cc1ccnc([N+](=O)[O-])c1O[C@@H](CC[NH+](C)C)c1cccs1 ZINC001233550189 1098373495 /nfs/dbraw/zinc/37/34/95/1098373495.db2.gz JFDGLYBDZLPVTD-LBPRGKRZSA-N 1 0 321.402 3.432 20 5 DGBDRO C[NH+](C)C1CCC(Oc2cc(F)c([N+](=O)[O-])c(F)c2)CC1 ZINC001233753032 1098422365 /nfs/dbraw/zinc/42/23/65/1098422365.db2.gz INMOLWUIZAFEQW-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2c3cccnc3ccc2[N+](=O)[O-])CC1 ZINC001233778642 1098430080 /nfs/dbraw/zinc/43/00/80/1098430080.db2.gz LWDRPLGPLSSGCB-UHFFFAOYSA-N 1 0 315.373 3.395 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001233837207 1098440074 /nfs/dbraw/zinc/44/00/74/1098440074.db2.gz XJSYEIHOSKJOIR-UHFFFAOYSA-N 1 0 315.373 3.395 20 5 DGBDRO NC(=O)C12CC([NH2+]Cc3c4ccccc4cc4ccccc43)(C1)C2 ZINC001277813662 1098444481 /nfs/dbraw/zinc/44/44/81/1098444481.db2.gz ANCQCHCYZYCMJF-UHFFFAOYSA-N 1 0 316.404 3.491 20 5 DGBDRO Cc1cc(Br)cc(O[C@H](C)C[N+](C)(C)C)c1F ZINC001234229959 1098518295 /nfs/dbraw/zinc/51/82/95/1098518295.db2.gz UIXSBEYXHWLTES-SNVBAGLBSA-N 1 0 305.211 3.370 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234673777 1098641120 /nfs/dbraw/zinc/64/11/20/1098641120.db2.gz CCZTXMYDGAIPPF-GFCCVEGCSA-N 1 0 301.346 3.005 20 5 DGBDRO CN1CCOC[C@H]1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001179365485 1099083058 /nfs/dbraw/zinc/08/30/58/1099083058.db2.gz JILJREKGDPQGEG-GOSISDBHSA-N 1 0 320.436 3.413 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccc3ncccc3c2)c1 ZINC001179592272 1099140736 /nfs/dbraw/zinc/14/07/36/1099140736.db2.gz BMAPHQLXVZERFC-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO C[C@H]1[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001187663265 1099567640 /nfs/dbraw/zinc/56/76/40/1099567640.db2.gz UCCIQTFHQPHTNB-WCBMZHEXSA-N 1 0 303.284 3.118 20 5 DGBDRO CC[C@@H](C[N@H+](C)CC[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC001193485045 1100751153 /nfs/dbraw/zinc/75/11/53/1100751153.db2.gz MMAAMPVRJVPGSC-JTQLQIEISA-N 1 0 321.204 3.359 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@H+](CC2CC2)CC2CCC2)cc1 ZINC001193819375 1100818539 /nfs/dbraw/zinc/81/85/39/1100818539.db2.gz LQQKVWPMLYRFRT-UHFFFAOYSA-N 1 0 304.390 3.486 20 5 DGBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001197799725 1101667812 /nfs/dbraw/zinc/66/78/12/1101667812.db2.gz ZUKALXDHJVTOAN-CQSZACIVSA-N 1 0 303.406 3.044 20 5 DGBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001197799412 1101668169 /nfs/dbraw/zinc/66/81/69/1101668169.db2.gz WTFTVJWXGCVLTF-CYBMUJFWSA-N 1 0 321.396 3.183 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(F)c(F)c2F)c1 ZINC001201822003 1102737667 /nfs/dbraw/zinc/73/76/67/1102737667.db2.gz DHZXKSGELCRMMY-UHFFFAOYSA-N 1 0 310.275 3.344 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)CCOC ZINC001201939255 1102757160 /nfs/dbraw/zinc/75/71/60/1102757160.db2.gz NSBQGHJGVQGYAN-UHFFFAOYSA-N 1 0 310.394 3.146 20 5 DGBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001325447577 1103035121 /nfs/dbraw/zinc/03/51/21/1103035121.db2.gz QBFKYENJPWEBSL-UHFFFAOYSA-N 1 0 314.769 3.022 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccc(Cl)c2F)cc1 ZINC001325841032 1103135404 /nfs/dbraw/zinc/13/54/04/1103135404.db2.gz UOFRTVYQUUHSLF-AWEZNQCLSA-N 1 0 324.739 3.211 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615878 1104629548 /nfs/dbraw/zinc/62/95/48/1104629548.db2.gz UCXFCPHMNFCDTJ-QAPCUYQASA-N 1 0 317.433 3.134 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@]12CCC[NH2+]C2 ZINC001246653084 1104649400 /nfs/dbraw/zinc/64/94/00/1104649400.db2.gz QVWUPVHODGONHL-CRAIPNDOSA-N 1 0 317.433 3.134 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001246990733 1104766582 /nfs/dbraw/zinc/76/65/82/1104766582.db2.gz XWRXGJFZZVOYRL-KDOFPFPSSA-N 1 0 317.433 3.132 20 5 DGBDRO CC[NH+](CC)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC001253981978 1106005828 /nfs/dbraw/zinc/00/58/28/1106005828.db2.gz VZCIGXCETVLTEQ-CLFYSBASSA-N 1 0 317.433 3.414 20 5 DGBDRO C[N@H+](C1CCCC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479158 1106078624 /nfs/dbraw/zinc/07/86/24/1106078624.db2.gz QKIHFMOHBLTAAR-UHFFFAOYSA-N 1 0 303.406 3.438 20 5 DGBDRO CC1(C)[C@@H]2C[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC001254479945 1106079224 /nfs/dbraw/zinc/07/92/24/1106079224.db2.gz RFTDZKMQLOOCEN-CALCHBBNSA-N 1 0 315.417 3.151 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC4CCC3CC4)CC2)cc1 ZINC001254479912 1106079253 /nfs/dbraw/zinc/07/92/53/1106079253.db2.gz PZECFMCZTCFNPI-UHFFFAOYSA-N 1 0 315.417 3.438 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1ccccc1 ZINC001254533346 1106095847 /nfs/dbraw/zinc/09/58/47/1106095847.db2.gz KCJSGCNGRJNMBE-KBXCAEBGSA-N 1 0 314.385 3.023 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)c1ccccc1 ZINC001254537670 1106098174 /nfs/dbraw/zinc/09/81/74/1106098174.db2.gz FXDKSHPEDVVFLA-KDOFPFPSSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])c1cc(F)cc(F)c1 ZINC001254536577 1106098206 /nfs/dbraw/zinc/09/82/06/1106098206.db2.gz QCBAGGFXODTUOU-JTQLQIEISA-N 1 0 319.311 3.419 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(Cc2cccnc2)CC1 ZINC001254549948 1106101277 /nfs/dbraw/zinc/10/12/77/1106101277.db2.gz YKMSOFDWJCKULI-CQSZACIVSA-N 1 0 311.385 3.286 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(O)[C@H](C)C1 ZINC001254552805 1106102512 /nfs/dbraw/zinc/10/25/12/1106102512.db2.gz PMLYCTPIEFEGQG-CKEIUWERSA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cc(O)ccc2C1 ZINC001254552408 1106102539 /nfs/dbraw/zinc/10/25/39/1106102539.db2.gz LHMPCWHCYLLIOI-ZDUSSCGKSA-N 1 0 312.369 3.290 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001254563654 1106103969 /nfs/dbraw/zinc/10/39/69/1106103969.db2.gz AIRFCYVKXVRPHU-WCQYABFASA-N 1 0 310.394 3.055 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001254563154 1106104368 /nfs/dbraw/zinc/10/43/68/1106104368.db2.gz VDOGPXCPWUNUMB-NVXWUHKLSA-N 1 0 317.433 3.086 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cncc1C1CC[NH2+]CC1 ZINC001254563942 1106104516 /nfs/dbraw/zinc/10/45/16/1106104516.db2.gz HADYCSXCMRBWHR-CYBMUJFWSA-N 1 0 314.389 3.062 20 5 DGBDRO [NH3+]CCc1cn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc12 ZINC001254565295 1106105317 /nfs/dbraw/zinc/10/53/17/1106105317.db2.gz DATBFBZQCKGARL-QGZVFWFLSA-N 1 0 321.380 3.391 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254571975 1106105897 /nfs/dbraw/zinc/10/58/97/1106105897.db2.gz FSDXHFHNFHAKJZ-WBMJQRKESA-N 1 0 312.369 3.421 20 5 DGBDRO COc1ccccc1[C@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571904 1106106264 /nfs/dbraw/zinc/10/62/64/1106106264.db2.gz CYDLBYRGRAKQFF-SWLSCSKDSA-N 1 0 312.369 3.421 20 5 DGBDRO Cc1cc(F)cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254574811 1106106675 /nfs/dbraw/zinc/10/66/75/1106106675.db2.gz LFBKMNDTDNRWFE-MRXNPFEDSA-N 1 0 300.333 3.299 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(F)c1F ZINC001254575144 1106106914 /nfs/dbraw/zinc/10/69/14/1106106914.db2.gz PAQSIZCHVPFIHG-AWEZNQCLSA-N 1 0 318.323 3.438 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(c3ccc(F)cc3)CC1)C2 ZINC001254581153 1106108297 /nfs/dbraw/zinc/10/82/97/1106108297.db2.gz LHNSAZQVTMRJAU-MRXNPFEDSA-N 1 0 312.344 3.480 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCO2 ZINC001254582759 1106108407 /nfs/dbraw/zinc/10/84/07/1106108407.db2.gz XCAKLRULCNRXFR-MAUKXSAKSA-N 1 0 324.380 3.484 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(c3ccccc3F)CC1)C2 ZINC001254580943 1106108446 /nfs/dbraw/zinc/10/84/46/1106108446.db2.gz IKUBFKYTCKSEBY-AWEZNQCLSA-N 1 0 312.344 3.480 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3ncccc3c1)C2 ZINC001254581106 1106108576 /nfs/dbraw/zinc/10/85/76/1106108576.db2.gz IUQSBQCFURZGOD-QGZVFWFLSA-N 1 0 319.364 3.400 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc2c(c1)CCO2 ZINC001254588398 1106108984 /nfs/dbraw/zinc/10/89/84/1106108984.db2.gz FKSSIBNQWMGPAZ-SJKOYZFVSA-N 1 0 324.380 3.348 20 5 DGBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cncc(Cl)c1 ZINC001254588683 1106109045 /nfs/dbraw/zinc/10/90/45/1106109045.db2.gz HUJIPQNVZDYYRB-BMIGLBTASA-N 1 0 317.776 3.461 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCc3ccccc3C1)C2 ZINC001254584883 1106109240 /nfs/dbraw/zinc/10/92/40/1106109240.db2.gz AURFWOQNJNDVLS-LIRRHRJNSA-N 1 0 322.408 3.457 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCc3c1cccc3O)C2 ZINC001254589782 1106109869 /nfs/dbraw/zinc/10/98/69/1106109869.db2.gz RAVLVCRTKGISSO-DYVFJYSZSA-N 1 0 310.353 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCc3cnccc31)C2 ZINC001254590400 1106110093 /nfs/dbraw/zinc/11/00/93/1106110093.db2.gz WRBUEWVAJZVBOW-MAUKXSAKSA-N 1 0 309.369 3.124 20 5 DGBDRO C[N@H+](Cc1ccccc1F)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598644 1106110766 /nfs/dbraw/zinc/11/07/66/1106110766.db2.gz IUVGYRCHDMBKIZ-MRXNPFEDSA-N 1 0 300.333 3.333 20 5 DGBDRO COc1ccc2c(c1)CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254597917 1106110913 /nfs/dbraw/zinc/11/09/13/1106110913.db2.gz JFVBKXUADVAPEG-GOSISDBHSA-N 1 0 324.380 3.129 20 5 DGBDRO Cc1cc([C@@H]2CCC[N@@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254599272 1106110986 /nfs/dbraw/zinc/11/09/86/1106110986.db2.gz MZIGAQRPFFGANB-WBVHZDCISA-N 1 0 313.357 3.196 20 5 DGBDRO COc1ccc2c(c1)C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254600841 1106111694 /nfs/dbraw/zinc/11/16/94/1106111694.db2.gz VVJSDFIPTUVVQZ-SFHVURJKSA-N 1 0 324.380 3.129 20 5 DGBDRO C[N@H+](Cc1cccc(F)c1F)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254608699 1106112688 /nfs/dbraw/zinc/11/26/88/1106112688.db2.gz SJMZUPNGECWHNN-HNNXBMFYSA-N 1 0 318.323 3.472 20 5 DGBDRO COc1cc(N2CCC([N@H+](C)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256095774 1106368077 /nfs/dbraw/zinc/36/80/77/1106368077.db2.gz AOCOSNCSWDAQCE-UHFFFAOYSA-N 1 0 321.421 3.303 20 5 DGBDRO CCN(Cc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1)C1CC1 ZINC001320213545 1106930142 /nfs/dbraw/zinc/93/01/42/1106930142.db2.gz SNIOQJXLTPPVDB-UHFFFAOYSA-N 1 0 316.361 3.246 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CC[C@H](SC)C1 ZINC001321144279 1107264197 /nfs/dbraw/zinc/26/41/97/1107264197.db2.gz VDENMCHRMYWOGD-JSGCOSHPSA-N 1 0 310.419 3.319 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC001262060075 1107599147 /nfs/dbraw/zinc/59/91/47/1107599147.db2.gz POIUJVXIUZGZEL-CYBMUJFWSA-N 1 0 312.373 3.039 20 5 DGBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001322885847 1107774532 /nfs/dbraw/zinc/77/45/32/1107774532.db2.gz OWPGJRMEOYKMMF-UHFFFAOYSA-N 1 0 314.769 3.022 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(NCCC[NH+]3CCCC3)sc2c1 ZINC001318407019 1107987379 /nfs/dbraw/zinc/98/73/79/1107987379.db2.gz VVGGOAGFVGRZEY-UHFFFAOYSA-N 1 0 306.391 3.102 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001319822287 1108652099 /nfs/dbraw/zinc/65/20/99/1108652099.db2.gz BARWBLRKMUVPLL-NHYWBVRUSA-N 1 0 310.781 3.249 20 5 DGBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001305601157 1111206185 /nfs/dbraw/zinc/20/61/85/1111206185.db2.gz MSMGJWWGZJPHIW-HNNXBMFYSA-N 1 0 305.378 3.106 20 5 DGBDRO CC(C)Oc1nc(NCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC001306912460 1111249603 /nfs/dbraw/zinc/24/96/03/1111249603.db2.gz OCLNSEBNDTYFCV-UHFFFAOYSA-N 1 0 324.425 3.308 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001307214797 1111279656 /nfs/dbraw/zinc/27/96/56/1111279656.db2.gz UCXHBPBNYDYDHU-AWEZNQCLSA-N 1 0 317.776 3.399 20 5 DGBDRO CC[C@@H](C[N@H+](CC)Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC001307703494 1111328872 /nfs/dbraw/zinc/32/88/72/1111328872.db2.gz UVFZMEUOQCJQOO-AWEZNQCLSA-N 1 0 316.405 3.344 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC001307743277 1111333824 /nfs/dbraw/zinc/33/38/24/1111333824.db2.gz DAECFWJYFBTQGP-CVEARBPZSA-N 1 0 322.405 3.157 20 5 DGBDRO COC(=O)[C@@]1(C)C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC001307996365 1111364672 /nfs/dbraw/zinc/36/46/72/1111364672.db2.gz NLLDXPMIVJEJTI-AHIWAGSCSA-N 1 0 320.389 3.095 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000278449738 214162084 /nfs/dbraw/zinc/16/20/84/214162084.db2.gz LJRPBDPPDHAOOV-SUMWQHHRSA-N 1 0 303.406 3.262 20 5 DGBDRO CCn1cc(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000278755572 214378042 /nfs/dbraw/zinc/37/80/42/214378042.db2.gz XMJNZMSACIKWGN-UHFFFAOYSA-N 1 0 314.389 3.018 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c(Cl)c1 ZINC000318419701 231170309 /nfs/dbraw/zinc/17/03/09/231170309.db2.gz KFYWERMFJZIUDY-FVQBIDKESA-N 1 0 324.808 3.374 20 5 DGBDRO C[NH+](C)C1(CNc2ccnc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000322410727 231210423 /nfs/dbraw/zinc/21/04/23/231210423.db2.gz WTBZNOQYUOQKQO-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[N@H+](CCc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083214197 185219897 /nfs/dbraw/zinc/21/98/97/185219897.db2.gz QVTJOEHXNCIXLV-UHFFFAOYSA-N 1 0 317.370 3.472 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1O ZINC000427986575 529534404 /nfs/dbraw/zinc/53/44/04/529534404.db2.gz YEYHLHOQLSXXDL-YDHLFZDLSA-N 1 0 324.446 3.359 20 5 DGBDRO Cc1cc(N[C@@H](C)Cn2cccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272843449 210241498 /nfs/dbraw/zinc/24/14/98/210241498.db2.gz NLPZJOKMLPMFEZ-LBPRGKRZSA-N 1 0 311.345 3.149 20 5 DGBDRO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000419313214 529588738 /nfs/dbraw/zinc/58/87/38/529588738.db2.gz GEVJOXQQQPVINL-STQMWFEESA-N 1 0 319.405 3.256 20 5 DGBDRO COCCC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000090535762 185301422 /nfs/dbraw/zinc/30/14/22/185301422.db2.gz PIMZWHANDOMRPW-INIZCTEOSA-N 1 0 318.417 3.322 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000318984019 529690767 /nfs/dbraw/zinc/69/07/67/529690767.db2.gz KHJVWOUKBHDRSJ-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000064020650 432007132 /nfs/dbraw/zinc/00/71/32/432007132.db2.gz CEFLZKAVMKFFIJ-CYBMUJFWSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)(C)CC1 ZINC000330457702 231859895 /nfs/dbraw/zinc/85/98/95/231859895.db2.gz OWZFMJOMMCFIBG-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC1(C)C ZINC000286852833 219195901 /nfs/dbraw/zinc/19/59/01/219195901.db2.gz AMUIXIRCTYPNTL-FZMZJTMJSA-N 1 0 305.378 3.090 20 5 DGBDRO CC(C)C[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000130274922 432019554 /nfs/dbraw/zinc/01/95/54/432019554.db2.gz WHHCELGJPXIZJB-MRXNPFEDSA-N 1 0 319.405 3.068 20 5 DGBDRO C[C@@H](CCn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000272579970 209997671 /nfs/dbraw/zinc/99/76/71/209997671.db2.gz VABFVONQCFFBRB-NSHDSACASA-N 1 0 308.769 3.013 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000287010697 219267294 /nfs/dbraw/zinc/26/72/94/219267294.db2.gz QQNYXMSKKAXXRW-MRXNPFEDSA-N 1 0 320.776 3.462 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000152523947 186081507 /nfs/dbraw/zinc/08/15/07/186081507.db2.gz GWZVQRCAODDUFG-LBPRGKRZSA-N 1 0 301.346 3.239 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173356316 186180370 /nfs/dbraw/zinc/18/03/70/186180370.db2.gz YQVDXPDPHDHBAR-BDJLRTHQSA-N 1 0 304.321 3.118 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC(C)C)CC1 ZINC000265974666 186344717 /nfs/dbraw/zinc/34/47/17/186344717.db2.gz CTGKEJFNXZFFDI-UHFFFAOYSA-N 1 0 321.421 3.274 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000277229173 213381755 /nfs/dbraw/zinc/38/17/55/213381755.db2.gz OOMSCVMFIQWQHK-CYBMUJFWSA-N 1 0 311.813 3.164 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000280092588 215369873 /nfs/dbraw/zinc/36/98/73/215369873.db2.gz ZGDVPKWGMQNZIZ-ZWUHOBOKSA-N 1 0 320.389 3.223 20 5 DGBDRO CC[C@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000072682962 191213943 /nfs/dbraw/zinc/21/39/43/191213943.db2.gz RBGANHNDGWOMSV-HNNXBMFYSA-N 1 0 321.402 3.345 20 5 DGBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000072722350 191221585 /nfs/dbraw/zinc/22/15/85/191221585.db2.gz ZXMFUBWIFRXXLD-UHFFFAOYSA-N 1 0 301.346 3.277 20 5 DGBDRO CCCC[N@H+](CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072949939 191255890 /nfs/dbraw/zinc/25/58/90/191255890.db2.gz APSVETCOYBPCQZ-UHFFFAOYSA-N 1 0 304.350 3.267 20 5 DGBDRO Cc1csc(C(C)(C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000173427311 198213075 /nfs/dbraw/zinc/21/30/75/198213075.db2.gz UARISSDKNDQQQT-UHFFFAOYSA-N 1 0 321.402 3.263 20 5 DGBDRO Cc1nccn1CCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173441732 198215385 /nfs/dbraw/zinc/21/53/85/198215385.db2.gz MCKYLXCTKOWZSU-CYBMUJFWSA-N 1 0 302.378 3.231 20 5 DGBDRO CC[C@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000173502177 198221579 /nfs/dbraw/zinc/22/15/79/198221579.db2.gz JZPZZFRQKZKNRE-HNNXBMFYSA-N 1 0 321.402 3.345 20 5 DGBDRO CC(C)(C)OCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247423 198310159 /nfs/dbraw/zinc/31/01/59/198310159.db2.gz WULSTSRHGJPSMF-UHFFFAOYSA-N 1 0 322.405 3.253 20 5 DGBDRO COc1cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)ccc1O ZINC000174538232 198348871 /nfs/dbraw/zinc/34/88/71/198348871.db2.gz JXQZMLNFCAZZHK-UHFFFAOYSA-N 1 0 316.357 3.249 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174880931 198396682 /nfs/dbraw/zinc/39/66/82/198396682.db2.gz CDQAOLWFFWXBFQ-LBPRGKRZSA-N 1 0 311.813 3.022 20 5 DGBDRO COC[C@H](C)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179370549 432055235 /nfs/dbraw/zinc/05/52/35/432055235.db2.gz AWRZRKBNUFSONR-LBPRGKRZSA-N 1 0 304.346 3.322 20 5 DGBDRO COC[C@@H](C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179368184 432055547 /nfs/dbraw/zinc/05/55/47/432055547.db2.gz VRQAYMKGQQRGTG-GFCCVEGCSA-N 1 0 304.346 3.322 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000166879406 432063255 /nfs/dbraw/zinc/06/32/55/432063255.db2.gz YDYROIQDICLXGY-SECBINFHSA-N 1 0 303.284 3.168 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000133473242 432064975 /nfs/dbraw/zinc/06/49/75/432064975.db2.gz QBSMDZVHCLJBMR-RISCZKNCSA-N 1 0 309.797 3.169 20 5 DGBDRO Cc1cccc(C(C)(C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000179590420 199060066 /nfs/dbraw/zinc/06/00/66/199060066.db2.gz FPBQQDWFXCMSPL-KRWDZBQOSA-N 1 0 314.385 3.462 20 5 DGBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180857933 199218877 /nfs/dbraw/zinc/21/88/77/199218877.db2.gz HCHDZUXZMGHZND-GXTWGEPZSA-N 1 0 316.357 3.058 20 5 DGBDRO CC(C)CC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000180046682 432077615 /nfs/dbraw/zinc/07/76/15/432077615.db2.gz NNFMLZLVFAYFDO-UHFFFAOYSA-N 1 0 316.405 3.473 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000415487207 237207013 /nfs/dbraw/zinc/20/70/13/237207013.db2.gz SVGOZZXSOGTSBG-INIZCTEOSA-N 1 0 322.409 3.097 20 5 DGBDRO C[C@H]1CCCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000187971747 200184609 /nfs/dbraw/zinc/18/46/09/200184609.db2.gz OPXCLDMIKAZSLY-LBPRGKRZSA-N 1 0 316.361 3.267 20 5 DGBDRO Cc1nc2ccccc2n1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000237770073 202351174 /nfs/dbraw/zinc/35/11/74/202351174.db2.gz HAQDVPOESGAZNE-UHFFFAOYSA-N 1 0 316.386 3.104 20 5 DGBDRO Cc1cc(NCC[C@H]2CCC[NH2+]C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420183685 237689932 /nfs/dbraw/zinc/68/99/32/237689932.db2.gz AALLWDMIJSKROG-CYBMUJFWSA-N 1 0 314.389 3.253 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1cscn1)C1CC1 ZINC000134859740 432086815 /nfs/dbraw/zinc/08/68/15/432086815.db2.gz SZEXYVHJOKPVAR-HNNXBMFYSA-N 1 0 317.414 3.205 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419377983 237675172 /nfs/dbraw/zinc/67/51/72/237675172.db2.gz VGABVIHVSHLAQV-IHRRRGAJSA-N 1 0 319.405 3.208 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3cccnc3CC2)cc1 ZINC000421825898 237765495 /nfs/dbraw/zinc/76/54/95/237765495.db2.gz PVXFLTDWEFDCAE-MRXNPFEDSA-N 1 0 311.385 3.070 20 5 DGBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000189100171 200348321 /nfs/dbraw/zinc/34/83/21/200348321.db2.gz ZKFPDPCIENQXPS-QWRGUYRKSA-N 1 0 321.402 3.231 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000278546016 299306291 /nfs/dbraw/zinc/30/62/91/299306291.db2.gz VHXJVUPOLJFVJX-GUYCJALGSA-N 1 0 303.406 3.262 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134907908 432089695 /nfs/dbraw/zinc/08/96/95/432089695.db2.gz YLBOBKAPQKBYFE-QAPCUYQASA-N 1 0 315.417 3.044 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1ccccc1 ZINC000430201250 238070539 /nfs/dbraw/zinc/07/05/39/238070539.db2.gz YLYFGHBDIKNJAQ-UHFFFAOYSA-N 1 0 300.358 3.278 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCC[C@@H]1C ZINC000430239687 238072204 /nfs/dbraw/zinc/07/22/04/238072204.db2.gz BPZWEBJPMMEDED-XJKSGUPXSA-N 1 0 322.405 3.240 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cc1 ZINC000431685686 238108852 /nfs/dbraw/zinc/10/88/52/238108852.db2.gz MIIVALIMGZMVSS-SJLPKXTDSA-N 1 0 312.369 3.462 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449680209 240367087 /nfs/dbraw/zinc/36/70/87/240367087.db2.gz SVDAUFBSEMIKDG-QWHCGFSZSA-N 1 0 302.378 3.093 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1nccs1)CCC2 ZINC000192787111 200940439 /nfs/dbraw/zinc/94/04/39/200940439.db2.gz MCPIPHWUBKVCOU-AWEZNQCLSA-N 1 0 303.387 3.261 20 5 DGBDRO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCC1 ZINC000193217035 201007943 /nfs/dbraw/zinc/00/79/43/201007943.db2.gz BKGDVPLEAKSRRX-UHFFFAOYSA-N 1 0 320.389 3.472 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000193234073 201011172 /nfs/dbraw/zinc/01/11/72/201011172.db2.gz LTIIYRKXVUOIIY-LLVKDONJSA-N 1 0 300.314 3.174 20 5 DGBDRO CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193282289 201019273 /nfs/dbraw/zinc/01/92/73/201019273.db2.gz TZFSAXVEQNDIHS-CVEARBPZSA-N 1 0 306.406 3.359 20 5 DGBDRO CC[C@@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271879876 209290989 /nfs/dbraw/zinc/29/09/89/209290989.db2.gz PEMYXASMAVEPTL-HZPDHXFCSA-N 1 0 306.406 3.433 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])c1ccco1 ZINC000193397290 201044093 /nfs/dbraw/zinc/04/40/93/201044093.db2.gz WZRXYEDSUAFBLL-HNNXBMFYSA-N 1 0 318.377 3.265 20 5 DGBDRO CSC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000193828094 201129257 /nfs/dbraw/zinc/12/92/57/201129257.db2.gz IROAOSUOUCEMBM-AWEZNQCLSA-N 1 0 306.431 3.401 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000193926407 201146755 /nfs/dbraw/zinc/14/67/55/201146755.db2.gz YDIFVPGLXGCZPV-CZUORRHYSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000194006306 201160338 /nfs/dbraw/zinc/16/03/38/201160338.db2.gz BWPNBBFCYDITQJ-RISCZKNCSA-N 1 0 305.378 3.010 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443640280 239220799 /nfs/dbraw/zinc/22/07/99/239220799.db2.gz IROBVKULBDRDBT-RDBSUJKOSA-N 1 0 319.405 3.290 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000444225699 239271603 /nfs/dbraw/zinc/27/16/03/239271603.db2.gz RLNMTEZHEOKREI-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCCC[C@@H]21 ZINC000444684372 239322984 /nfs/dbraw/zinc/32/29/84/239322984.db2.gz MDGLHYFJBKFJFG-AXAPSJFSSA-N 1 0 314.389 3.482 20 5 DGBDRO CC(C)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000072717955 283758844 /nfs/dbraw/zinc/75/88/44/283758844.db2.gz WKYNLXDMQCHKPN-UHFFFAOYSA-N 1 0 319.405 3.291 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447508559 239641824 /nfs/dbraw/zinc/64/18/24/239641824.db2.gz KTOCWKDONRVYAC-HZPDHXFCSA-N 1 0 314.389 3.373 20 5 DGBDRO CC(C)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275525049 212394151 /nfs/dbraw/zinc/39/41/51/212394151.db2.gz WHPXZYZCGXSFIM-HNNXBMFYSA-N 1 0 323.368 3.183 20 5 DGBDRO CC(C)Cn1ccnc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449220913 240075427 /nfs/dbraw/zinc/07/54/27/240075427.db2.gz FAHXORXRMFCVRM-CQSZACIVSA-N 1 0 316.405 3.168 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1N(C)C ZINC000449225481 240077886 /nfs/dbraw/zinc/07/78/86/240077886.db2.gz OQHXLSROZQHSGJ-CQSZACIVSA-N 1 0 313.401 3.382 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CCC(C)(C)C ZINC000449301251 240118919 /nfs/dbraw/zinc/11/89/19/240118919.db2.gz RBUBXOBTXWQNBM-HIFRSBDPSA-N 1 0 308.422 3.303 20 5 DGBDRO COc1cc(F)cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000449316806 240127723 /nfs/dbraw/zinc/12/77/23/240127723.db2.gz PUSHTGXRGOWXOD-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCCC1(C)C ZINC000449343391 240144397 /nfs/dbraw/zinc/14/43/97/240144397.db2.gz KALCTQPUWTWOGY-CXAGYDPISA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1cnn(C)c1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498418 240248888 /nfs/dbraw/zinc/24/88/88/240248888.db2.gz KMRPZRYUZRIKTN-OAHLLOKOSA-N 1 0 314.389 3.016 20 5 DGBDRO C[C@H]([NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000451606563 299352103 /nfs/dbraw/zinc/35/21/03/299352103.db2.gz LYPGMUOMHISPGK-XNJJOIOASA-N 1 0 304.390 3.043 20 5 DGBDRO Cc1cccnc1CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449484102 240235953 /nfs/dbraw/zinc/23/59/53/240235953.db2.gz FCMNGBGEATXVJT-OAHLLOKOSA-N 1 0 313.401 3.452 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cncs3)C2)cc1 ZINC000449505377 240253982 /nfs/dbraw/zinc/25/39/82/240253982.db2.gz XDQGXSOGCPPNGF-CYBMUJFWSA-N 1 0 303.387 3.431 20 5 DGBDRO Cc1n[nH]cc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506960 240255233 /nfs/dbraw/zinc/25/52/33/240255233.db2.gz ZUQRNMYVZIARJY-AWEZNQCLSA-N 1 0 300.362 3.006 20 5 DGBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000449515362 240262298 /nfs/dbraw/zinc/26/22/98/240262298.db2.gz YVHMIQIPUTXJOM-HOCLYGCPSA-N 1 0 312.385 3.113 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cs1 ZINC000449542641 240276860 /nfs/dbraw/zinc/27/68/60/240276860.db2.gz QVCZXUYZFJGWNC-UONOGXRCSA-N 1 0 319.386 3.061 20 5 DGBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000449728613 240384734 /nfs/dbraw/zinc/38/47/34/240384734.db2.gz WJLNHEYUUWJMLS-DZGCQCFKSA-N 1 0 319.408 3.245 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043156 193146300 /nfs/dbraw/zinc/14/63/00/193146300.db2.gz GJCKUFWFWRTEEF-PRPGUUAMSA-N 1 0 315.417 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CC3(O)CCCC3)C2)cc1 ZINC000451552200 241171485 /nfs/dbraw/zinc/17/14/85/241171485.db2.gz WBAWNYMZKHHHET-HNNXBMFYSA-N 1 0 304.390 3.079 20 5 DGBDRO CC(C)[C@H](CO)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451620239 241189981 /nfs/dbraw/zinc/18/99/81/241189981.db2.gz ZISPUHKDWMLRKU-IRXDYDNUSA-N 1 0 308.422 3.016 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451616015 241190022 /nfs/dbraw/zinc/19/00/22/241190022.db2.gz QPXVTCGGSMADIP-XJKSGUPXSA-N 1 0 324.808 3.135 20 5 DGBDRO O=C(CC[NH2+][C@@H]1CCC12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000451459540 241130396 /nfs/dbraw/zinc/13/03/96/241130396.db2.gz QOVPWQFQOGQCOV-OAHLLOKOSA-N 1 0 317.389 3.236 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000271786607 209212999 /nfs/dbraw/zinc/21/29/99/209212999.db2.gz WEBLFNFOLPAJNL-HZPDHXFCSA-N 1 0 320.389 3.321 20 5 DGBDRO Cc1noc(CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000268642950 432114766 /nfs/dbraw/zinc/11/47/66/432114766.db2.gz HQKQKOYBBIPDSX-UHFFFAOYSA-N 1 0 318.377 3.129 20 5 DGBDRO CCOc1cc(N2CC[C@H](C[NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000092658483 284008124 /nfs/dbraw/zinc/00/81/24/284008124.db2.gz IAORPLCHKMNMKF-CQSZACIVSA-N 1 0 321.421 3.162 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000093443585 284012596 /nfs/dbraw/zinc/01/25/96/284012596.db2.gz QBLPOLDQOPYJBJ-QWRGUYRKSA-N 1 0 312.316 3.428 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000114225426 284107097 /nfs/dbraw/zinc/10/70/97/284107097.db2.gz JUKXWKIECROKDC-AWEZNQCLSA-N 1 0 319.405 3.415 20 5 DGBDRO CC[C@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000467558496 244001158 /nfs/dbraw/zinc/00/11/58/244001158.db2.gz BPDWZCWRZRFQPY-QXSWTLKVSA-N 1 0 304.390 3.499 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467833605 244009208 /nfs/dbraw/zinc/00/92/08/244009208.db2.gz AEWCPCIDSJMJKO-GDBMZVCRSA-N 1 0 314.385 3.097 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000469164542 244086924 /nfs/dbraw/zinc/08/69/24/244086924.db2.gz ZXPMCKHPMDHGEE-VGQMVEDTSA-N 1 0 304.390 3.401 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178629 244155173 /nfs/dbraw/zinc/15/51/73/244155173.db2.gz LQKFVYKUJFROMZ-MJSCBBHESA-N 1 0 317.433 3.272 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@@H]4CCC[C@@H]43)o2)c1 ZINC000472562121 244309462 /nfs/dbraw/zinc/30/94/62/244309462.db2.gz HBXZLDLABHURQY-ZFWWWQNUSA-N 1 0 313.357 3.277 20 5 DGBDRO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000093304096 193228078 /nfs/dbraw/zinc/22/80/78/193228078.db2.gz FSVVJSYFGLIDPA-HNNXBMFYSA-N 1 0 314.385 3.368 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000477288269 244571174 /nfs/dbraw/zinc/57/11/74/244571174.db2.gz DHKLVSDDDOXLTO-INIZCTEOSA-N 1 0 312.369 3.463 20 5 DGBDRO Cc1ccc(C[N@@H+](C)[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000093442475 193252896 /nfs/dbraw/zinc/25/28/96/193252896.db2.gz NZQHZFSMLZCITA-QGZVFWFLSA-N 1 0 314.385 3.459 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC2(CCCC2)C1 ZINC000093588869 193270900 /nfs/dbraw/zinc/27/09/00/193270900.db2.gz UQFNUJFOYPDLRS-FNORWQNLSA-N 1 0 302.374 3.253 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000273257032 296152991 /nfs/dbraw/zinc/15/29/91/296152991.db2.gz HOSYAHPPKBVLQT-DOMZBBRYSA-N 1 0 319.405 3.070 20 5 DGBDRO C[C@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411630472 229811976 /nfs/dbraw/zinc/81/19/76/229811976.db2.gz IKXBJOTWCQLXGC-SWLSCSKDSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000121588897 284201625 /nfs/dbraw/zinc/20/16/25/284201625.db2.gz OCSVCWIXAOCZHP-GJZGRUSLSA-N 1 0 305.422 3.367 20 5 DGBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000488070315 245142870 /nfs/dbraw/zinc/14/28/70/245142870.db2.gz GCKPPHRFHKJFHW-HUUCEWRRSA-N 1 0 322.405 3.111 20 5 DGBDRO C[N@H+](CCCCCn1cccn1)CCc1cccc([N+](=O)[O-])c1 ZINC000282514594 217053959 /nfs/dbraw/zinc/05/39/59/217053959.db2.gz SKQQLKHVHQRISR-UHFFFAOYSA-N 1 0 316.405 3.136 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000266029792 205040687 /nfs/dbraw/zinc/04/06/87/205040687.db2.gz RNFORDRIYHHGFB-UHFFFAOYSA-N 1 0 304.390 3.030 20 5 DGBDRO C[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[NH+](C)C ZINC000491599173 245532702 /nfs/dbraw/zinc/53/27/02/245532702.db2.gz ORQBEACXAUVLGA-ZDUSSCGKSA-N 1 0 317.389 3.142 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000271699805 209137052 /nfs/dbraw/zinc/13/70/52/209137052.db2.gz SHUMRRDOXVEZIN-IAGOWNOFSA-N 1 0 300.358 3.369 20 5 DGBDRO CC[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000266131114 205124569 /nfs/dbraw/zinc/12/45/69/205124569.db2.gz DBKNDJGVXUIIET-NHYWBVRUSA-N 1 0 311.813 3.068 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCSC3)cs2)c1 ZINC000266172425 205156659 /nfs/dbraw/zinc/15/66/59/205156659.db2.gz RSURWMSIJXQQAT-NSHDSACASA-N 1 0 321.427 3.313 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3=CCCOC3)o2)cc1 ZINC000288486883 220174145 /nfs/dbraw/zinc/17/41/45/220174145.db2.gz QMDSVAXSQFRNKL-UHFFFAOYSA-N 1 0 314.341 3.291 20 5 DGBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000282965509 217354999 /nfs/dbraw/zinc/35/49/99/217354999.db2.gz KUPFXLDFPTWJET-AWEZNQCLSA-N 1 0 306.387 3.096 20 5 DGBDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000282974859 217361961 /nfs/dbraw/zinc/36/19/61/217361961.db2.gz LOBXNWUZFIKJMO-QGZVFWFLSA-N 1 0 300.358 3.035 20 5 DGBDRO CCC(O)(CC)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129984475 284428983 /nfs/dbraw/zinc/42/89/83/284428983.db2.gz BLBDYEYBBVQGBF-GDBMZVCRSA-N 1 0 320.433 3.447 20 5 DGBDRO CCc1ccc([C@@H]([NH2+]CCCCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000494528403 246159628 /nfs/dbraw/zinc/15/96/28/246159628.db2.gz LRPMOQPQNDRTAG-KRWDZBQOSA-N 1 0 318.373 3.202 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000494476790 246152591 /nfs/dbraw/zinc/15/25/91/246152591.db2.gz PNILMBQMLQFONM-RNCFNFMXSA-N 1 0 318.295 3.271 20 5 DGBDRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000142052424 284529348 /nfs/dbraw/zinc/52/93/48/284529348.db2.gz USMAEPGOLBTHCL-RTXFEEFZSA-N 1 0 307.394 3.254 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)CCC[NH+](CC)CC ZINC000172823573 284606898 /nfs/dbraw/zinc/60/68/98/284606898.db2.gz ZPLDUGPYHVMAKY-GFCCVEGCSA-N 1 0 311.430 3.042 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCNc2ccccn2)cc1[N+](=O)[O-] ZINC000268978200 432148997 /nfs/dbraw/zinc/14/89/97/432148997.db2.gz JYMXRZULKVHQFP-CYBMUJFWSA-N 1 0 300.362 3.061 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000268977418 432149513 /nfs/dbraw/zinc/14/95/13/432149513.db2.gz BLJHBDJJGJPQGY-DZKIICNBSA-N 1 0 306.406 3.057 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000106469505 194218779 /nfs/dbraw/zinc/21/87/79/194218779.db2.gz VROAXASCESNMPG-LBPRGKRZSA-N 1 0 316.357 3.030 20 5 DGBDRO Cc1ccc([C@H](O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285339271 218388826 /nfs/dbraw/zinc/38/88/26/218388826.db2.gz OQSLVMUYOFNIPM-GOSISDBHSA-N 1 0 314.385 3.111 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000245543022 284822523 /nfs/dbraw/zinc/82/25/23/284822523.db2.gz LOHRDBLBSQVGJI-VYDXJSESSA-N 1 0 318.417 3.322 20 5 DGBDRO Cc1nccn1CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268850080 207017238 /nfs/dbraw/zinc/01/72/38/207017238.db2.gz KCMBAWXSZVEGRP-CYBMUJFWSA-N 1 0 302.378 3.149 20 5 DGBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000055928080 184001274 /nfs/dbraw/zinc/00/12/74/184001274.db2.gz MADXTJWZDVINRL-OAHLLOKOSA-N 1 0 317.389 3.188 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000057943405 184063404 /nfs/dbraw/zinc/06/34/04/184063404.db2.gz VTZDGXFHGXIOTO-NFFDBFGFSA-N 1 0 319.405 3.336 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000268996301 207153507 /nfs/dbraw/zinc/15/35/07/207153507.db2.gz XSHIMZXDZQDDTC-LBPRGKRZSA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000246846461 284925013 /nfs/dbraw/zinc/92/50/13/284925013.db2.gz BWBPSHVECWOKHP-CWRNSKLLSA-N 1 0 305.422 3.427 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000119766151 195033163 /nfs/dbraw/zinc/03/31/63/195033163.db2.gz YKMGBFZMJRYXJP-OAHLLOKOSA-N 1 0 300.362 3.013 20 5 DGBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000336719410 252998677 /nfs/dbraw/zinc/99/86/77/252998677.db2.gz SDUDYZMHQXEYCZ-XJKSGUPXSA-N 1 0 312.373 3.065 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C[NH+](C)C ZINC000336848596 253006539 /nfs/dbraw/zinc/00/65/39/253006539.db2.gz LJGPODGWRLUQJM-VIFPVBQESA-N 1 0 305.300 3.223 20 5 DGBDRO COc1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433808168 533035501 /nfs/dbraw/zinc/03/55/01/533035501.db2.gz OFKLCIMCHVFXBX-CQSZACIVSA-N 1 0 305.378 3.032 20 5 DGBDRO C[C@@H](C1CCC1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337305962 253083096 /nfs/dbraw/zinc/08/30/96/253083096.db2.gz ULHYCPHLSHCELS-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c2c(c1)COCO2 ZINC000102926767 285086631 /nfs/dbraw/zinc/08/66/31/285086631.db2.gz JLLLGOWSYHPLQE-MRXNPFEDSA-N 1 0 318.373 3.226 20 5 DGBDRO C[C@H](CO)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000270306310 208378446 /nfs/dbraw/zinc/37/84/46/208378446.db2.gz TVEHBKMNSSYXPA-ZDUSSCGKSA-N 1 0 318.373 3.353 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120191751 195115965 /nfs/dbraw/zinc/11/59/65/195115965.db2.gz PHCFLSTZTXNEPJ-ZDUSSCGKSA-N 1 0 322.409 3.063 20 5 DGBDRO COCCO[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245525699 285108096 /nfs/dbraw/zinc/10/80/96/285108096.db2.gz OPKBYJLXQUHIPR-GOEBONIOSA-N 1 0 322.405 3.092 20 5 DGBDRO C[C@@H]([NH2+]CCCO[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000338289929 253258505 /nfs/dbraw/zinc/25/85/05/253258505.db2.gz PPLRWOIEDKQGJI-CJNGLKHVSA-N 1 0 308.378 3.179 20 5 DGBDRO Cc1ccc(CN2CCOc3cccc(F)c3C2)cc1[N+](=O)[O-] ZINC000338961102 253380434 /nfs/dbraw/zinc/38/04/34/253380434.db2.gz GCIQBVSSYRESGX-UHFFFAOYSA-N 1 0 316.332 3.437 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1ccccc1 ZINC000339007124 253388343 /nfs/dbraw/zinc/38/83/43/253388343.db2.gz AZXLXUNOASERPL-UHFFFAOYSA-N 1 0 300.358 3.278 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](O)C3)s2)cc1 ZINC000158751787 197298954 /nfs/dbraw/zinc/29/89/54/197298954.db2.gz CZHAFXCSTCTERA-AWEZNQCLSA-N 1 0 318.398 3.280 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000271070124 208599152 /nfs/dbraw/zinc/59/91/52/208599152.db2.gz DZSHYFLBVGMRFF-BFHYXJOUSA-N 1 0 324.446 3.480 20 5 DGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000286510274 219026779 /nfs/dbraw/zinc/02/67/79/219026779.db2.gz MUHCZPSUAKKJRE-RLTXXFFMSA-N 1 0 322.792 3.103 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)CCC2 ZINC000249034727 285145228 /nfs/dbraw/zinc/14/52/28/285145228.db2.gz SBGXOVUSXBXPCM-IAOVAPTHSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C/C=C\c3ccccc3)C2)nc1 ZINC000255470871 285157148 /nfs/dbraw/zinc/15/71/48/285157148.db2.gz PQJWJDSDHZHVPB-OUOZUETKSA-N 1 0 324.384 3.189 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](C2CCCC2)CC1 ZINC000255545286 285162691 /nfs/dbraw/zinc/16/26/91/285162691.db2.gz RAUJKPFYDZIPGH-ALCCZGGFSA-N 1 0 315.417 3.168 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161893389 285164166 /nfs/dbraw/zinc/16/41/66/285164166.db2.gz JWSBEVAVVZJCII-UKRRQHHQSA-N 1 0 301.390 3.048 20 5 DGBDRO CC[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000343253521 254120950 /nfs/dbraw/zinc/12/09/50/254120950.db2.gz PAZHRWZEIHXPCZ-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000343582872 254163497 /nfs/dbraw/zinc/16/34/97/254163497.db2.gz QMEYLMMEUJATJQ-AWEZNQCLSA-N 1 0 320.780 3.223 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000343960651 254206705 /nfs/dbraw/zinc/20/67/05/254206705.db2.gz MMLCUWVIIUJUJU-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO CCC[C@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343688062 254178023 /nfs/dbraw/zinc/17/80/23/254178023.db2.gz KHSXWRKDCZUSCZ-LBPRGKRZSA-N 1 0 321.377 3.013 20 5 DGBDRO C[N@@H+]1CCCC12CCN(Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000343720876 254180872 /nfs/dbraw/zinc/18/08/72/254180872.db2.gz BJWFUIMHDDEQEK-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CCC[N@@H+]2C)CC1 ZINC000343750646 254184511 /nfs/dbraw/zinc/18/45/11/254184511.db2.gz OCBRTPCVBZKKRG-AWEZNQCLSA-N 1 0 303.406 3.216 20 5 DGBDRO C[C@@H]1C[C@H](CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000344274042 254249128 /nfs/dbraw/zinc/24/91/28/254249128.db2.gz QEXJRBTVNDQDAD-FAKDPMAQSA-N 1 0 304.390 3.403 20 5 DGBDRO CC[C@@]1(C)CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000344278534 254249592 /nfs/dbraw/zinc/24/95/92/254249592.db2.gz VDMQTGZWVXNNGH-INIZCTEOSA-N 1 0 316.361 3.267 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CCO)c1ccccc1 ZINC000344437941 254270519 /nfs/dbraw/zinc/27/05/19/254270519.db2.gz IZZHCRJXVBTTQM-XBMZPMPPSA-N 1 0 312.369 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000344436190 254270546 /nfs/dbraw/zinc/27/05/46/254270546.db2.gz PTDLMBJOCYAJCR-INIZCTEOSA-N 1 0 312.373 3.066 20 5 DGBDRO CC[NH+](CC)C[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255903452 285186332 /nfs/dbraw/zinc/18/63/32/285186332.db2.gz CTTHYIQGEDGHMJ-DZFYGRHCSA-N 1 0 317.433 3.272 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCC(F)(F)F ZINC000344815512 254308128 /nfs/dbraw/zinc/30/81/28/254308128.db2.gz BVIVAZMIJBPZHJ-XFFZJAGNSA-N 1 0 318.295 3.167 20 5 DGBDRO COC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000156735002 197136949 /nfs/dbraw/zinc/13/69/49/197136949.db2.gz QXZXINQCGYFOJX-HIFRSBDPSA-N 1 0 318.373 3.486 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000282432535 285228902 /nfs/dbraw/zinc/22/89/02/285228902.db2.gz MKNSDRXIFUHHKB-IAQYHMDHSA-N 1 0 300.362 3.057 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000294800257 224230427 /nfs/dbraw/zinc/23/04/27/224230427.db2.gz IHNGWGBRUFKTEV-STMXVASLSA-N 1 0 300.362 3.175 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000154021979 196931216 /nfs/dbraw/zinc/93/12/16/196931216.db2.gz DRJMRNOTJCLVJS-JSGCOSHPSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000120647516 195208886 /nfs/dbraw/zinc/20/88/86/195208886.db2.gz QISUGJZPEGDNIX-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000305766774 285302127 /nfs/dbraw/zinc/30/21/27/285302127.db2.gz GOINVUTZYIYXEZ-HJWJTTGWSA-N 1 0 318.417 3.199 20 5 DGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289537841 221052032 /nfs/dbraw/zinc/05/20/32/221052032.db2.gz HXMJKLQFKXFNBD-UTDDRVLSSA-N 1 0 315.417 3.167 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)C(C)(C)O)cc1[N+](=O)[O-] ZINC000294909076 224302550 /nfs/dbraw/zinc/30/25/50/224302550.db2.gz GCVLRYYNWJKTIM-NHYWBVRUSA-N 1 0 310.394 3.194 20 5 DGBDRO COc1cccc(C2(C[NH2+]Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000290018674 221383437 /nfs/dbraw/zinc/38/34/37/221383437.db2.gz ZHVYUXAZXMHDQA-UHFFFAOYSA-N 1 0 318.398 3.486 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCCC1 ZINC000290045247 221398769 /nfs/dbraw/zinc/39/87/69/221398769.db2.gz DSHQWFWYRVBUAC-CZUORRHYSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H](CCCCO)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295006735 224373950 /nfs/dbraw/zinc/37/39/50/224373950.db2.gz IZNFQBXCZAQBSO-VYDXJSESSA-N 1 0 320.433 3.447 20 5 DGBDRO Cc1ccc(CCC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000348673730 285341290 /nfs/dbraw/zinc/34/12/90/285341290.db2.gz NQYZEEVTZNYUEF-UHFFFAOYSA-N 1 0 313.401 3.405 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCCC[C@H]1C ZINC000353451437 285358452 /nfs/dbraw/zinc/35/84/52/285358452.db2.gz XAKYLCHYBLGJAP-CQSZACIVSA-N 1 0 321.421 3.418 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@H](C)CC[C@H]1C ZINC000123192318 195553988 /nfs/dbraw/zinc/55/39/88/195553988.db2.gz NIUFYGHFEGIWST-CHWSQXEVSA-N 1 0 305.378 3.105 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000470181499 533381222 /nfs/dbraw/zinc/38/12/22/533381222.db2.gz DEPUVPIOWAVTIU-AHIVSBDTSA-N 1 0 304.390 3.091 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CC2CC2)CC1 ZINC000470181854 533383149 /nfs/dbraw/zinc/38/31/49/533383149.db2.gz BPPJWWOZQIDZDV-PTNGSMBKSA-N 1 0 315.417 3.026 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[N@@H+](C(C)C)CC1 ZINC000470172901 533383335 /nfs/dbraw/zinc/38/33/35/533383335.db2.gz FDVFUWQEQDSQFW-VBKFSLOCSA-N 1 0 317.433 3.414 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424322160 533448446 /nfs/dbraw/zinc/44/84/46/533448446.db2.gz HYLDDSZUPLIXGR-KNXALSJPSA-N 1 0 317.389 3.090 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CC1([NH+](C)C)CCC1 ZINC000470212491 533407172 /nfs/dbraw/zinc/40/71/72/533407172.db2.gz VSADWEITZFXIGA-RVDMUPIBSA-N 1 0 317.433 3.414 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000090800199 296514145 /nfs/dbraw/zinc/51/41/45/296514145.db2.gz GOINVUTZYIYXEZ-YJNKEBTESA-N 1 0 318.417 3.199 20 5 DGBDRO COC1([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000421864127 292137168 /nfs/dbraw/zinc/13/71/68/292137168.db2.gz LGSVNRSPCVIWJD-UONOGXRCSA-N 1 0 322.405 3.138 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000066410719 400086082 /nfs/dbraw/zinc/08/60/82/400086082.db2.gz OGCXFRVDNGSMKY-CYBMUJFWSA-N 1 0 305.403 3.241 20 5 DGBDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595043233 400087388 /nfs/dbraw/zinc/08/73/88/400087388.db2.gz VHYGAFPTALBUQV-OZVIIMIRSA-N 1 0 310.394 3.315 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000595050082 400089142 /nfs/dbraw/zinc/08/91/42/400089142.db2.gz FURSLGAEVHFVQW-KNXALSJPSA-N 1 0 320.389 3.212 20 5 DGBDRO C[N@@H+]1CCC[C@H]1CCSCCOc1ccc([N+](=O)[O-])cc1 ZINC000600572236 400096231 /nfs/dbraw/zinc/09/62/31/400096231.db2.gz XJVHFAHVEOHAHR-ZDUSSCGKSA-N 1 0 310.419 3.191 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cccc1[N+](=O)[O-] ZINC000595071874 400098406 /nfs/dbraw/zinc/09/84/06/400098406.db2.gz ROOWIXHVSUHBAW-OKMMYEAHSA-N 1 0 324.446 3.244 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595079507 400100926 /nfs/dbraw/zinc/10/09/26/400100926.db2.gz DYMAHKLWUOHKBD-NHYWBVRUSA-N 1 0 305.378 3.090 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000301583182 400101021 /nfs/dbraw/zinc/10/10/21/400101021.db2.gz VVAWDWHYJRTFEQ-LMOYCYGVSA-N 1 0 319.405 3.336 20 5 DGBDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000584802556 400105847 /nfs/dbraw/zinc/10/58/47/400105847.db2.gz ALESDZLGAOKBFF-ZDUSSCGKSA-N 1 0 318.373 3.209 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nccn1C ZINC000595108521 400109200 /nfs/dbraw/zinc/10/92/00/400109200.db2.gz RJIOMNXCPZTETH-OLZOCXBDSA-N 1 0 302.378 3.000 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000595031843 400082692 /nfs/dbraw/zinc/08/26/92/400082692.db2.gz GRSJLIQNJVRSEX-AVGNSLFASA-N 1 0 308.378 3.069 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCn2nccc21 ZINC000595035671 400083845 /nfs/dbraw/zinc/08/38/45/400083845.db2.gz ZPWHUSYPULGCMG-CYBMUJFWSA-N 1 0 320.780 3.112 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C ZINC000595035159 400084207 /nfs/dbraw/zinc/08/42/07/400084207.db2.gz HBGGVLXHFDODOW-MLGOLLRUSA-N 1 0 324.421 3.297 20 5 DGBDRO COCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000595038315 400085201 /nfs/dbraw/zinc/08/52/01/400085201.db2.gz JHVCFHVTEJVMOK-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017281794 400178296 /nfs/dbraw/zinc/17/82/96/400178296.db2.gz UBIJFQFZGWHENK-GFCCVEGCSA-N 1 0 322.365 3.179 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000324059972 400178551 /nfs/dbraw/zinc/17/85/51/400178551.db2.gz COKMOSSRLASRSO-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000091457721 400121142 /nfs/dbraw/zinc/12/11/42/400121142.db2.gz ZIQCUZAVGRUQPV-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1noc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595308405 400123817 /nfs/dbraw/zinc/12/38/17/400123817.db2.gz IUVXYUAVQVRUJT-OAHLLOKOSA-N 1 0 315.373 3.488 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCc2ccc(CO)cc2)cccc1[N+](=O)[O-] ZINC000305790245 400124208 /nfs/dbraw/zinc/12/42/08/400124208.db2.gz TXBWSWNCTYKXRE-AWEZNQCLSA-N 1 0 314.385 3.289 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)C1CC1 ZINC000585794538 400142766 /nfs/dbraw/zinc/14/27/66/400142766.db2.gz FDHHBZZAFARSBD-XOKHGSTOSA-N 1 0 318.417 3.057 20 5 DGBDRO CC(C)[N@H+](C)CC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000609145740 400144810 /nfs/dbraw/zinc/14/48/10/400144810.db2.gz ZWPIRCJVPFVCJC-UHFFFAOYSA-N 1 0 323.412 3.286 20 5 DGBDRO Cc1c(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000316377497 400150379 /nfs/dbraw/zinc/15/03/79/400150379.db2.gz IRHOXUBKHVTBOB-NVXWUHKLSA-N 1 0 303.406 3.010 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000320350298 400165400 /nfs/dbraw/zinc/16/54/00/400165400.db2.gz KUZSOMHECNAYRM-ZDUSSCGKSA-N 1 0 314.389 3.285 20 5 DGBDRO Cc1noc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595490852 400166452 /nfs/dbraw/zinc/16/64/52/400166452.db2.gz RLCQIDQESIFYTN-AOOOYVTPSA-N 1 0 321.299 3.444 20 5 DGBDRO CCc1ccc([C@H]2CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)cc1 ZINC000595503445 400171081 /nfs/dbraw/zinc/17/10/81/400171081.db2.gz VPEZVAUCMZBJPF-HNNXBMFYSA-N 1 0 315.373 3.443 20 5 DGBDRO C[C@H]1COC2(CCC2)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595675505 400224494 /nfs/dbraw/zinc/22/44/94/400224494.db2.gz OQCIFQCQGRROCR-AWEZNQCLSA-N 1 0 320.389 3.007 20 5 DGBDRO COCCc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000601101493 400232461 /nfs/dbraw/zinc/23/24/61/400232461.db2.gz SVDHLBRNDNVLHA-NSHDSACASA-N 1 0 321.402 3.091 20 5 DGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])s2)Cc2ccccc2C1 ZINC000610279360 400233208 /nfs/dbraw/zinc/23/32/08/400233208.db2.gz CKLKXORPCXCCES-UHFFFAOYSA-N 1 0 317.414 3.167 20 5 DGBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595707886 400237645 /nfs/dbraw/zinc/23/76/45/400237645.db2.gz PKWIEHNOPKMOOL-MEDUHNTESA-N 1 0 322.368 3.289 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000025508034 400238251 /nfs/dbraw/zinc/23/82/51/400238251.db2.gz QWYKXKDXOWICAJ-SCRDCRAPSA-N 1 0 319.405 3.208 20 5 DGBDRO C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610420543 400256405 /nfs/dbraw/zinc/25/64/05/400256405.db2.gz OYKDFGWXQALVPO-SUNYJGFJSA-N 1 0 314.385 3.410 20 5 DGBDRO COC1CCC([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093414873 400243968 /nfs/dbraw/zinc/24/39/68/400243968.db2.gz CVYHQPGUNXQGQQ-FNORWQNLSA-N 1 0 304.390 3.497 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000588928756 400247024 /nfs/dbraw/zinc/24/70/24/400247024.db2.gz RYLKXAHSSAIAIO-AWEZNQCLSA-N 1 0 320.776 3.114 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610368839 400252388 /nfs/dbraw/zinc/25/23/88/400252388.db2.gz UTMVGBJSIMHDBD-ZIAGYGMSSA-N 1 0 300.362 3.189 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000610390321 400253636 /nfs/dbraw/zinc/25/36/36/400253636.db2.gz WABZKSULLQDHDQ-ZDUSSCGKSA-N 1 0 312.369 3.462 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2[nH]cnc2c1 ZINC000589183795 400270177 /nfs/dbraw/zinc/27/01/77/400270177.db2.gz OZLKSUDPWJEFEU-UHFFFAOYSA-N 1 0 310.357 3.146 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])s3)C2)cc1 ZINC000601250350 400274131 /nfs/dbraw/zinc/27/41/31/400274131.db2.gz LYFPJPCKMKLIEX-CYBMUJFWSA-N 1 0 318.402 3.046 20 5 DGBDRO C[C@H](C1CC1)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581056 400278743 /nfs/dbraw/zinc/27/87/43/400278743.db2.gz DPPKJXZZARSYNL-SNVBAGLBSA-N 1 0 301.346 3.499 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000595910932 400292293 /nfs/dbraw/zinc/29/22/93/400292293.db2.gz UOJLOBWIVFYPNH-ZDUSSCGKSA-N 1 0 319.405 3.210 20 5 DGBDRO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CC[NH3+] ZINC000404322891 400295484 /nfs/dbraw/zinc/29/54/84/400295484.db2.gz RYCDUKSITQBPJD-IAQYHMDHSA-N 1 0 311.813 3.198 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)c1 ZINC000589501633 400302191 /nfs/dbraw/zinc/30/21/91/400302191.db2.gz UQZAZGNPAGZKJM-CHWSQXEVSA-N 1 0 320.389 3.249 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000589571689 400305939 /nfs/dbraw/zinc/30/59/39/400305939.db2.gz GNGWVMQLSVQBOU-JTQLQIEISA-N 1 0 317.336 3.338 20 5 DGBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000596133229 400326349 /nfs/dbraw/zinc/32/63/49/400326349.db2.gz FTHJCDUSTYLBCI-LBPRGKRZSA-N 1 0 324.812 3.098 20 5 DGBDRO C[C@H](CC[NH+](C)C)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596096797 400316245 /nfs/dbraw/zinc/31/62/45/400316245.db2.gz BBZMUOXZDQANLU-SECBINFHSA-N 1 0 305.300 3.366 20 5 DGBDRO C[NH2+]C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000596108121 400319409 /nfs/dbraw/zinc/31/94/09/400319409.db2.gz VIMZJTNWZDPNAE-JTQLQIEISA-N 1 0 323.780 3.206 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CO ZINC000611336944 400380378 /nfs/dbraw/zinc/38/03/78/400380378.db2.gz PROGENSYQQLIRO-LBPRGKRZSA-N 1 0 312.435 3.074 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(F)c1 ZINC000611350900 400383930 /nfs/dbraw/zinc/38/39/30/400383930.db2.gz MUYSULOOLFYIDW-UONOGXRCSA-N 1 0 322.380 3.373 20 5 DGBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000596133072 400326523 /nfs/dbraw/zinc/32/65/23/400326523.db2.gz CSLJGDSRFUTRPU-CYBMUJFWSA-N 1 0 309.435 3.419 20 5 DGBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596144401 400328997 /nfs/dbraw/zinc/32/89/97/400328997.db2.gz CZONISUQZFWOHC-ZJUUUORDSA-N 1 0 313.785 3.151 20 5 DGBDRO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596170869 400339502 /nfs/dbraw/zinc/33/95/02/400339502.db2.gz YKLFVZIOMBPUHG-JSGCOSHPSA-N 1 0 321.446 3.418 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)CC2CC2)o1 ZINC000611108278 400346254 /nfs/dbraw/zinc/34/62/54/400346254.db2.gz VKCGPXSPYBORST-ZDUSSCGKSA-N 1 0 316.357 3.105 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cc1cccs1 ZINC000070141243 400351567 /nfs/dbraw/zinc/35/15/67/400351567.db2.gz LHSNMOUUIZKGLF-LLVKDONJSA-N 1 0 306.387 3.386 20 5 DGBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ccncc1[N+](=O)[O-])CC2 ZINC000596254821 400362335 /nfs/dbraw/zinc/36/23/35/400362335.db2.gz HUXQWWUQVMSDQX-UHFFFAOYSA-N 1 0 318.421 3.081 20 5 DGBDRO C[C@@H]([N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(C)C ZINC000611257178 400366444 /nfs/dbraw/zinc/36/64/44/400366444.db2.gz DVZNDMCDNNFKCG-LLVKDONJSA-N 1 0 308.378 3.232 20 5 DGBDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590192583 400367956 /nfs/dbraw/zinc/36/79/56/400367956.db2.gz PAUBEUCXXIJTQY-HNNXBMFYSA-N 1 0 312.797 3.279 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+](CCCO)C3CC3)o2)c1 ZINC000611271608 400370689 /nfs/dbraw/zinc/37/06/89/400370689.db2.gz ODMAYBLIIJTYGV-UHFFFAOYSA-N 1 0 316.357 3.202 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000611274844 400371654 /nfs/dbraw/zinc/37/16/54/400371654.db2.gz PMZDUMOUVZCRLA-MAVJXHJTSA-N 1 0 316.401 3.357 20 5 DGBDRO C[NH+](C)C1(CNc2sccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000611413237 400395970 /nfs/dbraw/zinc/39/59/70/400395970.db2.gz ZOBMOMXTVTWERJ-UHFFFAOYSA-N 1 0 317.414 3.167 20 5 DGBDRO COc1ccc(C[C@@](C)([NH3+])CNc2sccc2[N+](=O)[O-])cc1 ZINC000611414738 400397238 /nfs/dbraw/zinc/39/72/38/400397238.db2.gz SICPLYMJAUMJNY-OAHLLOKOSA-N 1 0 321.402 3.037 20 5 DGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072697554 400398381 /nfs/dbraw/zinc/39/83/81/400398381.db2.gz OEOUOTHYDWMEEK-WCQYABFASA-N 1 0 316.361 3.265 20 5 DGBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCOCC1 ZINC000611434392 400401228 /nfs/dbraw/zinc/40/12/28/400401228.db2.gz BFWYPQKXPGFOMR-ZDUSSCGKSA-N 1 0 319.361 3.031 20 5 DGBDRO Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000072840306 400408082 /nfs/dbraw/zinc/40/80/82/400408082.db2.gz VIFKMYZPHZEMOP-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000590648021 400408533 /nfs/dbraw/zinc/40/85/33/400408533.db2.gz CEVZSCVSARLHMY-YABSGUDNSA-N 1 0 312.797 3.336 20 5 DGBDRO COc1ccc(C[NH2+]CCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000116360520 400408571 /nfs/dbraw/zinc/40/85/71/400408571.db2.gz NHAAPLOZNZWFPJ-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611560191 400421665 /nfs/dbraw/zinc/42/16/65/400421665.db2.gz FSUYNRWNUYFXCO-WBMJQRKESA-N 1 0 314.389 3.053 20 5 DGBDRO CC[C@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000590723795 400423856 /nfs/dbraw/zinc/42/38/56/400423856.db2.gz RLHVANIOACSALK-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000042247212 400427780 /nfs/dbraw/zinc/42/77/80/400427780.db2.gz QWYKXKDXOWICAJ-MBNYWOFBSA-N 1 0 319.405 3.208 20 5 DGBDRO CC[C@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120206205 400443807 /nfs/dbraw/zinc/44/38/07/400443807.db2.gz AROPNDGUVYFHMH-CYBMUJFWSA-N 1 0 304.346 3.369 20 5 DGBDRO CC[C@@H](COC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000120202189 400444064 /nfs/dbraw/zinc/44/40/64/400444064.db2.gz ZKMWSNGHXIOOCU-LBPRGKRZSA-N 1 0 304.346 3.369 20 5 DGBDRO C[C@H](CCNC(=O)c1cc2ccccc2c2cccnc12)[NH+](C)C ZINC000617749249 400446003 /nfs/dbraw/zinc/44/60/03/400446003.db2.gz GVBPTSQPKKTOAB-CQSZACIVSA-N 1 0 321.424 3.458 20 5 DGBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000073602878 400458801 /nfs/dbraw/zinc/45/88/01/400458801.db2.gz VKNLQWJAULKJHX-VXGBXAGGSA-N 1 0 316.361 3.123 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570056 400446701 /nfs/dbraw/zinc/44/67/01/400446701.db2.gz IGRVHMCAJKWRPX-ZDUSSCGKSA-N 1 0 307.369 3.268 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000591282664 400506383 /nfs/dbraw/zinc/50/63/83/400506383.db2.gz MESCDSNLONLZJR-LBPRGKRZSA-N 1 0 309.797 3.013 20 5 DGBDRO Cc1ccncc1[C@@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000611939615 400466323 /nfs/dbraw/zinc/46/63/23/400466323.db2.gz RVXINLCLVUNHNW-CQSZACIVSA-N 1 0 315.373 3.418 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061702 400480696 /nfs/dbraw/zinc/48/06/96/400480696.db2.gz DOVVIQZEFDSAJL-TZMCWYRMSA-N 1 0 317.389 3.044 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000591062923 400480830 /nfs/dbraw/zinc/48/08/30/400480830.db2.gz BLUSZWVCQYBBHM-LBPRGKRZSA-N 1 0 308.353 3.365 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591061690 400481030 /nfs/dbraw/zinc/48/10/30/400481030.db2.gz DDHZTALIVFTBST-JSGCOSHPSA-N 1 0 317.389 3.044 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](C4CCC4)C3)nc2c1 ZINC000591063182 400481045 /nfs/dbraw/zinc/48/10/45/400481045.db2.gz ITNJYJFGTAUOTD-LBPRGKRZSA-N 1 0 300.362 3.093 20 5 DGBDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602510400 400483480 /nfs/dbraw/zinc/48/34/80/400483480.db2.gz NHOILNFQZLYWOP-UKRRQHHQSA-N 1 0 318.421 3.127 20 5 DGBDRO Cc1nc2ccccc2n1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602510917 400483784 /nfs/dbraw/zinc/48/37/84/400483784.db2.gz HASKSRLIUBHBED-UHFFFAOYSA-N 1 0 324.384 3.085 20 5 DGBDRO CC(C)[N@H+](C)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602524938 400487902 /nfs/dbraw/zinc/48/79/02/400487902.db2.gz BLPLQWZHXOJWMO-UHFFFAOYSA-N 1 0 319.327 3.043 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC(C3CC3)C3CC3)nc2c1 ZINC000602559398 400496048 /nfs/dbraw/zinc/49/60/48/400496048.db2.gz ICGCJNJORTUZPX-UHFFFAOYSA-N 1 0 301.346 3.262 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc(CO)cc2)cc1 ZINC000602562696 400497210 /nfs/dbraw/zinc/49/72/10/400497210.db2.gz YDDPHAMLMAJWJD-UHFFFAOYSA-N 1 0 314.385 3.200 20 5 DGBDRO CCOC1CC(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602643852 400522742 /nfs/dbraw/zinc/52/27/42/400522742.db2.gz MGUAPXQZACAEIR-UHFFFAOYSA-N 1 0 319.361 3.031 20 5 DGBDRO C[C@@H]1C[C@@H](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000602653568 400524284 /nfs/dbraw/zinc/52/42/84/400524284.db2.gz OFAVTILAPHMYHM-MIFYACCESA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1cc(NCCCC[N@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074740921 400531083 /nfs/dbraw/zinc/53/10/83/400531083.db2.gz ZHDGYAOKORQVSZ-AWEZNQCLSA-N 1 0 306.410 3.365 20 5 DGBDRO Cc1cc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000074742055 400531224 /nfs/dbraw/zinc/53/12/24/400531224.db2.gz IYIAJPIXFMFPNT-HNNXBMFYSA-N 1 0 318.352 3.152 20 5 DGBDRO CCCC[N@H+](C)CC1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074742062 400531466 /nfs/dbraw/zinc/53/14/66/400531466.db2.gz UZLKJINMXFLESE-UHFFFAOYSA-N 1 0 320.437 3.247 20 5 DGBDRO CC[C@H](COCC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602673764 400533915 /nfs/dbraw/zinc/53/39/15/400533915.db2.gz NFPCYMMGTYUJEF-GFCCVEGCSA-N 1 0 320.311 3.084 20 5 DGBDRO CC[C@@H](COCC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602674225 400534471 /nfs/dbraw/zinc/53/44/71/400534471.db2.gz NFPCYMMGTYUJEF-LBPRGKRZSA-N 1 0 320.311 3.084 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3=CCCCC3)CC2)cn1 ZINC000602675972 400535431 /nfs/dbraw/zinc/53/54/31/400535431.db2.gz XYPWYZXOGDGAEZ-UHFFFAOYSA-N 1 0 316.405 3.049 20 5 DGBDRO CC1(C)C[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602687315 400539676 /nfs/dbraw/zinc/53/96/76/400539676.db2.gz KNRGSFXDRSRAPZ-NSHDSACASA-N 1 0 319.361 3.031 20 5 DGBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602692533 400540752 /nfs/dbraw/zinc/54/07/52/400540752.db2.gz XUUBGWCWBIRWKH-HWPZZCPQSA-N 1 0 319.361 3.029 20 5 DGBDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602700845 400543848 /nfs/dbraw/zinc/54/38/48/400543848.db2.gz WUHOMEHGEDEGDD-BXUZGUMPSA-N 1 0 321.402 3.500 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000602716245 400549541 /nfs/dbraw/zinc/54/95/41/400549541.db2.gz CHFSDGNWQLLYEV-HNNXBMFYSA-N 1 0 319.361 3.031 20 5 DGBDRO C[C@@H]([NH3+])c1ccc(OCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000591687334 400551469 /nfs/dbraw/zinc/55/14/69/400551469.db2.gz BKNMFPSXOBLAOG-GFCCVEGCSA-N 1 0 302.330 3.072 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000602756900 400565127 /nfs/dbraw/zinc/56/51/27/400565127.db2.gz AYRRLNOORDKWFB-INIZCTEOSA-N 1 0 314.389 3.245 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000140511364 400618842 /nfs/dbraw/zinc/61/88/42/400618842.db2.gz YNNPHDDLMFXVPJ-HNNXBMFYSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H]1CC2(C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592183764 400619157 /nfs/dbraw/zinc/61/91/57/400619157.db2.gz WSVCNZCXQSBRAW-CQSZACIVSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000592187002 400620917 /nfs/dbraw/zinc/62/09/17/400620917.db2.gz UIQVIGHRHWTBMD-AWEZNQCLSA-N 1 0 320.389 3.007 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(CC3CC3)C1)CCC2 ZINC000618567987 400625836 /nfs/dbraw/zinc/62/58/36/400625836.db2.gz DSGBSHCVIOLMBJ-CRAIPNDOSA-N 1 0 315.417 3.046 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000618573914 400627972 /nfs/dbraw/zinc/62/79/72/400627972.db2.gz JIXSGBPBFUBGDJ-JDFRZJQESA-N 1 0 304.390 3.377 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC(F)(F)C2)n1 ZINC000618574646 400628053 /nfs/dbraw/zinc/62/80/53/400628053.db2.gz FJTUPHOXZUELHB-QJPTWQEYSA-N 1 0 314.336 3.052 20 5 DGBDRO CC(C)[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000618577850 400629372 /nfs/dbraw/zinc/62/93/72/400629372.db2.gz YJGDVTAHXYUDHB-HOTGVXAUSA-N 1 0 306.406 3.357 20 5 DGBDRO CSC[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000135477427 400587388 /nfs/dbraw/zinc/58/73/88/400587388.db2.gz CIEURLDVHRZIKA-AWEZNQCLSA-N 1 0 310.419 3.191 20 5 DGBDRO COc1cc(C[N@H+](C)C[C@H]2CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000597252025 400600630 /nfs/dbraw/zinc/60/06/30/400600630.db2.gz HNWISPQWMBSIFP-GFCCVEGCSA-N 1 0 308.378 3.090 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(c2ccccc2)CC1(C)C ZINC000602900527 400601631 /nfs/dbraw/zinc/60/16/31/400601631.db2.gz CRTFXIKHORLOEW-QGZVFWFLSA-N 1 0 314.389 3.015 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000592134925 400611905 /nfs/dbraw/zinc/61/19/05/400611905.db2.gz UELVXMMDUBUTKT-IUODEOHRSA-N 1 0 308.353 3.125 20 5 DGBDRO CC1([NH3+])CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000592431649 400648615 /nfs/dbraw/zinc/64/86/15/400648615.db2.gz VHGLVGYLPVFYQJ-UHFFFAOYSA-N 1 0 315.373 3.168 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)Cc1ccsc1 ZINC000049182308 400664145 /nfs/dbraw/zinc/66/41/45/400664145.db2.gz GXZJSIGDPFKYAI-NSHDSACASA-N 1 0 306.387 3.386 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000603407598 400682936 /nfs/dbraw/zinc/68/29/36/400682936.db2.gz WFAWPNGAUFAHNS-GHMZBOCLSA-N 1 0 315.320 3.091 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000157613788 400718403 /nfs/dbraw/zinc/71/84/03/400718403.db2.gz MKGNUHNRUCRUBF-NEPJUHHUSA-N 1 0 305.378 3.008 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000157613517 400719035 /nfs/dbraw/zinc/71/90/35/400719035.db2.gz MKGNUHNRUCRUBF-RYUDHWBXSA-N 1 0 305.378 3.008 20 5 DGBDRO CC[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157756664 400720310 /nfs/dbraw/zinc/72/03/10/400720310.db2.gz WRHQHAXEFWEVBP-DOTOQJQBSA-N 1 0 303.406 3.120 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000603839132 400720766 /nfs/dbraw/zinc/72/07/66/400720766.db2.gz VIVUWYFSVKOQTN-INIZCTEOSA-N 1 0 312.373 3.239 20 5 DGBDRO CCC(CC)[C@@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000603845697 400722708 /nfs/dbraw/zinc/72/27/08/400722708.db2.gz IABNVGOMGUZNSI-OAHLLOKOSA-N 1 0 306.410 3.302 20 5 DGBDRO CCC(CC)[C@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000603845696 400722760 /nfs/dbraw/zinc/72/27/60/400722760.db2.gz IABNVGOMGUZNSI-HNNXBMFYSA-N 1 0 306.410 3.302 20 5 DGBDRO COc1cc(-c2ccc(C[NH+](C)C)c(F)c2)cc([N+](=O)[O-])c1 ZINC000592986224 400725969 /nfs/dbraw/zinc/72/59/69/400725969.db2.gz FUQCVMIXDGMAAG-UHFFFAOYSA-N 1 0 304.321 3.471 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603864490 400726282 /nfs/dbraw/zinc/72/62/82/400726282.db2.gz HGMGLBTZMYVKAT-CALCHBBNSA-N 1 0 323.396 3.163 20 5 DGBDRO Cc1cncc(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000592998897 400729947 /nfs/dbraw/zinc/72/99/47/400729947.db2.gz HLLXPWGNBQKXIH-UHFFFAOYSA-N 1 0 314.389 3.146 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000159652618 400730294 /nfs/dbraw/zinc/73/02/94/400730294.db2.gz WJODRKKGHLJYEE-LRDDRELGSA-N 1 0 318.373 3.226 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000604012466 400742832 /nfs/dbraw/zinc/74/28/32/400742832.db2.gz GRWQLFJSYHARSA-UHFFFAOYSA-N 1 0 318.398 3.484 20 5 DGBDRO Cc1cc([C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])on1 ZINC000052011387 400713823 /nfs/dbraw/zinc/71/38/23/400713823.db2.gz QKODXHMBHLZFJT-ZDUSSCGKSA-N 1 0 317.345 3.107 20 5 DGBDRO Cc1cnc(NC2CC[NH+](CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000078655618 400817417 /nfs/dbraw/zinc/81/74/17/400817417.db2.gz BUQKJGXKSAVVIC-UHFFFAOYSA-N 1 0 318.421 3.365 20 5 DGBDRO CCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000053378004 400779895 /nfs/dbraw/zinc/77/98/95/400779895.db2.gz QBFZHEFTEWNAIC-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000053580407 400792297 /nfs/dbraw/zinc/79/22/97/400792297.db2.gz QUGDLNITFXWOCS-HIFRSBDPSA-N 1 0 312.373 3.237 20 5 DGBDRO CC(C)C1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000619431188 400847323 /nfs/dbraw/zinc/84/73/23/400847323.db2.gz YUXQOQSLMKGRAA-UHFFFAOYSA-N 1 0 314.389 3.083 20 5 DGBDRO C[NH2+]C1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000598636479 400848040 /nfs/dbraw/zinc/84/80/40/400848040.db2.gz YFMHLCRORIPFDL-UHFFFAOYSA-N 1 0 303.284 3.168 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCCOC1 ZINC000599054558 400941904 /nfs/dbraw/zinc/94/19/04/400941904.db2.gz BQJGPXITIMUQEU-LSDHHAIUSA-N 1 0 306.406 3.322 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)C1CC1 ZINC000599085686 400955435 /nfs/dbraw/zinc/95/54/35/400955435.db2.gz VDNCQKBZYXXROX-RYRKJORJSA-N 1 0 316.401 3.073 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CCN(c3nccc4ccccc43)CC2)n1 ZINC000599072775 400950191 /nfs/dbraw/zinc/95/01/91/400950191.db2.gz HSNIDJDAYIFNJF-UHFFFAOYSA-N 1 0 323.356 3.181 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccsc1 ZINC000619783327 400906021 /nfs/dbraw/zinc/90/60/21/400906021.db2.gz QJLLACNMCRLOPV-NSHDSACASA-N 1 0 319.386 3.254 20 5 DGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000619783649 400906287 /nfs/dbraw/zinc/90/62/87/400906287.db2.gz WEKDGVOTXJHXIM-LLVKDONJSA-N 1 0 319.386 3.336 20 5 DGBDRO CCOc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)nc1 ZINC000619785204 400907277 /nfs/dbraw/zinc/90/72/77/400907277.db2.gz WYLLMTQQFNOGFN-UHFFFAOYSA-N 1 0 315.373 3.063 20 5 DGBDRO O=[N+]([O-])c1c(NCC23CCC[NH+]2CCC3)ccc2cnccc21 ZINC000599080817 400953622 /nfs/dbraw/zinc/95/36/22/400953622.db2.gz RVGBPASWSPWUDT-UHFFFAOYSA-N 1 0 312.373 3.183 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000598998851 400925050 /nfs/dbraw/zinc/92/50/50/400925050.db2.gz JAUAYYMUIGEQNZ-QQOXCAACSA-N 1 0 315.417 3.215 20 5 DGBDRO COc1cc(C[NH2+]C[C@H]2CCCC23CC3)c([N+](=O)[O-])cc1OC ZINC000599016080 400927949 /nfs/dbraw/zinc/92/79/49/400927949.db2.gz JMCSTMZVZMCWQO-CYBMUJFWSA-N 1 0 320.389 3.282 20 5 DGBDRO COc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599020480 400928852 /nfs/dbraw/zinc/92/88/52/400928852.db2.gz RBPXRLJXMPQEKP-KRWDZBQOSA-N 1 0 313.357 3.239 20 5 DGBDRO C[NH+](C)C1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCCC1 ZINC000599023675 400931092 /nfs/dbraw/zinc/93/10/92/400931092.db2.gz VGCDNUDAFUGNJU-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080960529 401007618 /nfs/dbraw/zinc/00/76/18/401007618.db2.gz MGPQRAVCPHFOFW-OLZOCXBDSA-N 1 0 300.362 3.259 20 5 DGBDRO C[N@@H+]1CCCC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000599140247 400973152 /nfs/dbraw/zinc/97/31/52/400973152.db2.gz ANIVLLJVGFMQHH-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO COc1cc(CN2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000058452100 401052518 /nfs/dbraw/zinc/05/25/18/401052518.db2.gz DVHFOSMYACYHGZ-UHFFFAOYSA-N 1 0 316.304 3.191 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000594502710 401082294 /nfs/dbraw/zinc/08/22/94/401082294.db2.gz NTFVIWIJESEECT-PVUWLOKVSA-N 1 0 304.390 3.375 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000057943344 401037645 /nfs/dbraw/zinc/03/76/45/401037645.db2.gz VVAWDWHYJRTFEQ-RSUWNVLCSA-N 1 0 319.405 3.336 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000060089765 401100884 /nfs/dbraw/zinc/10/08/84/401100884.db2.gz URVYIHFIYWAOAU-AWEZNQCLSA-N 1 0 319.405 3.496 20 5 DGBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599673585 401108478 /nfs/dbraw/zinc/10/84/78/401108478.db2.gz QOXSQXLHWDGPPO-UHFFFAOYSA-N 1 0 300.786 3.231 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000599673761 401108524 /nfs/dbraw/zinc/10/85/24/401108524.db2.gz YBKSWFBVZWMQCO-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO CC(=O)c1cc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594596596 401122203 /nfs/dbraw/zinc/12/22/03/401122203.db2.gz ARQIZBKHLHTRKP-RDJZCZTQSA-N 1 0 317.389 3.226 20 5 DGBDRO CC(=O)c1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594596597 401122462 /nfs/dbraw/zinc/12/24/62/401122462.db2.gz ARQIZBKHLHTRKP-WBVHZDCISA-N 1 0 317.389 3.226 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1c3ccccc3C[C@@H]1O)CCC2 ZINC000594513651 401090523 /nfs/dbraw/zinc/09/05/23/401090523.db2.gz GJZVSACZJSCFBC-FHWLQOOXSA-N 1 0 324.380 3.220 20 5 DGBDRO Cc1cnc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000594521227 401099353 /nfs/dbraw/zinc/09/93/53/401099353.db2.gz MTVQBNGCQRECIZ-ALCCZGGFSA-N 1 0 311.385 3.452 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599638029 401100302 /nfs/dbraw/zinc/10/03/02/401100302.db2.gz LAQTWYNGOWGCAY-JKIFEVAISA-N 1 0 304.390 3.059 20 5 DGBDRO COCc1csc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000594930633 401194411 /nfs/dbraw/zinc/19/44/11/401194411.db2.gz YDVCPKJYMPNPLJ-UHFFFAOYSA-N 1 0 306.387 3.135 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CC1 ZINC000594968791 401212543 /nfs/dbraw/zinc/21/25/43/401212543.db2.gz LHLMNCHJPHFDHW-GFCCVEGCSA-N 1 0 316.357 3.105 20 5 DGBDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000090521148 401267964 /nfs/dbraw/zinc/26/79/64/401267964.db2.gz UTPWOQSTKYCJLJ-DYVFJYSZSA-N 1 0 300.358 3.287 20 5 DGBDRO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000065535570 401270249 /nfs/dbraw/zinc/27/02/49/401270249.db2.gz TXZDLDVLOBVKAN-UHFFFAOYSA-N 1 0 315.373 3.279 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000064020640 401226764 /nfs/dbraw/zinc/22/67/64/401226764.db2.gz MIDXDESHNXRLPZ-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[NH+]1CCCCCC1 ZINC000595004476 401227220 /nfs/dbraw/zinc/22/72/20/401227220.db2.gz SOOAKCUZVWNUOF-CQSZACIVSA-N 1 0 321.421 3.130 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000595009100 401229934 /nfs/dbraw/zinc/22/99/34/401229934.db2.gz CBPIVGPZXYUVPE-AVGNSLFASA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)CC(C)(C)C ZINC000595020879 401235981 /nfs/dbraw/zinc/23/59/81/401235981.db2.gz AXBZUPLXCCNEMP-RYUDHWBXSA-N 1 0 310.394 3.051 20 5 DGBDRO CCCCn1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000358518929 286082921 /nfs/dbraw/zinc/08/29/21/286082921.db2.gz RVQUWHYWJWKPFB-UHFFFAOYSA-N 1 0 316.405 3.498 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000359110612 286239514 /nfs/dbraw/zinc/23/95/14/286239514.db2.gz SIQGSEGJQMHOAZ-AWEZNQCLSA-N 1 0 306.410 3.283 20 5 DGBDRO CCC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](CC)C2)c([N+](=O)[O-])c1 ZINC000359460002 286312977 /nfs/dbraw/zinc/31/29/77/286312977.db2.gz PQIXRIWLHQEVDD-ZDUSSCGKSA-N 1 0 319.405 3.331 20 5 DGBDRO Cc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000359952297 286396273 /nfs/dbraw/zinc/39/62/73/286396273.db2.gz LDGKUDQKCRSSPN-QWHCGFSZSA-N 1 0 307.369 3.105 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245523719 292295459 /nfs/dbraw/zinc/29/54/59/292295459.db2.gz NBBQQSAEMFXABE-GDBMZVCRSA-N 1 0 303.406 3.134 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245517674 292296364 /nfs/dbraw/zinc/29/63/64/292296364.db2.gz HBXITKKIUVVVHM-ZQIUZPCESA-N 1 0 304.390 3.465 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000360338136 286464849 /nfs/dbraw/zinc/46/48/49/286464849.db2.gz OYQDRDLOAQEHPP-JXFSHQFZSA-N 1 0 319.405 3.336 20 5 DGBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000361652995 286707993 /nfs/dbraw/zinc/70/79/93/286707993.db2.gz HKUQKNQUJPBPPT-ZFWWWQNUSA-N 1 0 314.389 3.328 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(OCc3ccccc3)C2)cc1 ZINC000361915476 286744081 /nfs/dbraw/zinc/74/40/81/286744081.db2.gz JZMIFYYEFCFGLF-UHFFFAOYSA-N 1 0 312.369 3.432 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(CO)CC1 ZINC000361979677 286754055 /nfs/dbraw/zinc/75/40/55/286754055.db2.gz BLJHBDJJGJPQGY-VQCLRJIVSA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1ccnc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000408174049 165947671 /nfs/dbraw/zinc/94/76/71/165947671.db2.gz FZNAEFYELVQXGL-KKUMJFAQSA-N 1 0 318.421 3.140 20 5 DGBDRO CCC[N@H+](CC)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191359393 165246579 /nfs/dbraw/zinc/24/65/79/165246579.db2.gz ZEXRPQIBLXGUKV-UHFFFAOYSA-N 1 0 322.409 3.065 20 5 DGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000191486185 165252905 /nfs/dbraw/zinc/25/29/05/165252905.db2.gz ZJZMLRNHRJRXSW-SFHVURJKSA-N 1 0 314.385 3.284 20 5 DGBDRO Cn1cc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000182127395 432159877 /nfs/dbraw/zinc/15/98/77/432159877.db2.gz LIRQJGXIRHUZQM-HNNXBMFYSA-N 1 0 320.780 3.319 20 5 DGBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182182787 432163441 /nfs/dbraw/zinc/16/34/41/432163441.db2.gz OIOFAYZYUZDPFP-GJZGRUSLSA-N 1 0 312.797 3.374 20 5 DGBDRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000182479864 432193626 /nfs/dbraw/zinc/19/36/26/432193626.db2.gz KTJAJTUUACQJMV-VZEFYGNVSA-N 1 0 304.390 3.139 20 5 DGBDRO C[NH+](C)[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000269660377 432194088 /nfs/dbraw/zinc/19/40/88/432194088.db2.gz TXFMLYPNSWASRP-LBPRGKRZSA-N 1 0 311.288 3.181 20 5 DGBDRO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269687471 432197213 /nfs/dbraw/zinc/19/72/13/432197213.db2.gz TYPBNEBTLXALBS-INIZCTEOSA-N 1 0 322.311 3.038 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150880484 432197972 /nfs/dbraw/zinc/19/79/72/432197972.db2.gz NUOXTVZOIYTRKP-CYBMUJFWSA-N 1 0 307.369 3.189 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)C ZINC000172171344 432201317 /nfs/dbraw/zinc/20/13/17/432201317.db2.gz CNJLQPRFERWMRE-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000269705733 432200635 /nfs/dbraw/zinc/20/06/35/432200635.db2.gz NKEJBVBNCGTYKV-QLJPJBMISA-N 1 0 322.311 3.257 20 5 DGBDRO CO[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000191138808 432224900 /nfs/dbraw/zinc/22/49/00/432224900.db2.gz QTBVIRJYCXVFMO-NSHDSACASA-N 1 0 306.387 3.448 20 5 DGBDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000151153840 432225490 /nfs/dbraw/zinc/22/54/90/432225490.db2.gz ZZWMIOIIZUFYNH-LLVKDONJSA-N 1 0 302.378 3.104 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000132138616 196229241 /nfs/dbraw/zinc/22/92/41/196229241.db2.gz GOYHNVGRAGXONC-ROUUACIJSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000296754932 226197800 /nfs/dbraw/zinc/19/78/00/226197800.db2.gz PZEBOKYPONJRCI-MGPLVRAMSA-N 1 0 322.311 3.257 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@](C)(OC)C2CC2)cc1[N+](=O)[O-] ZINC000291181776 222200477 /nfs/dbraw/zinc/20/04/77/222200477.db2.gz KQDUWJCADGROOX-SJCJKPOMSA-N 1 0 322.405 3.459 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCCC2)c2ncccc12 ZINC000301085248 229491087 /nfs/dbraw/zinc/49/10/87/229491087.db2.gz LUIBOCZEFFBTLU-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO O=[N+]([O-])c1cccnc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000301163175 229538525 /nfs/dbraw/zinc/53/85/25/229538525.db2.gz BAUGECRVHZMBKU-UHFFFAOYSA-N 1 0 312.373 3.372 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301584981 229759359 /nfs/dbraw/zinc/75/93/59/229759359.db2.gz OOTSHRRAHWFDCR-OLZOCXBDSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1cccnc1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000301938240 229993571 /nfs/dbraw/zinc/99/35/71/229993571.db2.gz RUYCLQKULKTMNS-UHFFFAOYSA-N 1 0 312.373 3.372 20 5 DGBDRO C[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000413119511 230135624 /nfs/dbraw/zinc/13/56/24/230135624.db2.gz OKORYEJGLSIYBG-LLVKDONJSA-N 1 0 300.362 3.038 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c(F)c1 ZINC000413265667 230173007 /nfs/dbraw/zinc/17/30/07/230173007.db2.gz JROHFLKBLQYTAJ-CYBMUJFWSA-N 1 0 322.384 3.338 20 5 DGBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346687098 264079967 /nfs/dbraw/zinc/07/99/67/264079967.db2.gz VKDDLXAGHISGJF-QWHCGFSZSA-N 1 0 315.373 3.037 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1[NH3+] ZINC000347043364 264145710 /nfs/dbraw/zinc/14/57/10/264145710.db2.gz MEKYLUPSNFMDDB-LRDDRELGSA-N 1 0 315.373 3.024 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1[NH3+] ZINC000347140045 264163984 /nfs/dbraw/zinc/16/39/84/264163984.db2.gz VYYBXBCSMFYITF-IUODEOHRSA-N 1 0 315.373 3.024 20 5 DGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000347322308 264195984 /nfs/dbraw/zinc/19/59/84/264195984.db2.gz UXYAIEBBCWXJTR-WBMJQRKESA-N 1 0 323.824 3.307 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccncc1 ZINC000347374588 264209054 /nfs/dbraw/zinc/20/90/54/264209054.db2.gz WTKVHYPTAPCUSY-OAHLLOKOSA-N 1 0 301.346 3.239 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000347376604 264209855 /nfs/dbraw/zinc/20/98/55/264209855.db2.gz OJHYWMXRQCUUOQ-IFCKCIONSA-N 1 0 304.390 3.499 20 5 DGBDRO CCc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000348942317 264471547 /nfs/dbraw/zinc/47/15/47/264471547.db2.gz SEUZPQZYOJGMNA-UHFFFAOYSA-N 1 0 321.421 3.006 20 5 DGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352799475 265171549 /nfs/dbraw/zinc/17/15/49/265171549.db2.gz YOIJHIBWDVYMNU-WFASDCNBSA-N 1 0 323.824 3.307 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H](COC(F)F)C1 ZINC000353024745 265269457 /nfs/dbraw/zinc/26/94/57/265269457.db2.gz PNJBLXKKGVITDF-SECBINFHSA-N 1 0 320.723 3.309 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1O ZINC000353259888 265365512 /nfs/dbraw/zinc/36/55/12/265365512.db2.gz FKZVNWXZPJJTMC-LBPRGKRZSA-N 1 0 316.357 3.202 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000353298425 265379978 /nfs/dbraw/zinc/37/99/78/265379978.db2.gz JGPFBCBLURMIOH-ZDUSSCGKSA-N 1 0 322.409 3.145 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000182806625 432229934 /nfs/dbraw/zinc/22/99/34/432229934.db2.gz TZKFFRQCUOWQMY-LSDHHAIUSA-N 1 0 305.422 3.238 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000355396517 266062691 /nfs/dbraw/zinc/06/26/91/266062691.db2.gz YOQXSOPPLLUWLQ-CYBMUJFWSA-N 1 0 322.405 3.119 20 5 DGBDRO CC(C)[NH+](CCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000355953801 266240632 /nfs/dbraw/zinc/24/06/32/266240632.db2.gz JAFRJTFJABOEQN-UHFFFAOYSA-N 1 0 322.409 3.177 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000172859407 432239995 /nfs/dbraw/zinc/23/99/95/432239995.db2.gz XSYGAJMXPPUFCU-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCC1(C)C ZINC000191300615 432247494 /nfs/dbraw/zinc/24/74/94/432247494.db2.gz AKXFAWVZXXZYIR-HNNXBMFYSA-N 1 0 319.405 3.400 20 5 DGBDRO Cc1cc(N2CC[C@H]([NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359868200 271004931 /nfs/dbraw/zinc/00/49/31/271004931.db2.gz CRJAVEDINROWJA-JTQLQIEISA-N 1 0 317.311 3.062 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1C ZINC000172987106 432250924 /nfs/dbraw/zinc/25/09/24/432250924.db2.gz QZWUJVGIROXAEE-VXGBXAGGSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000373233088 271613030 /nfs/dbraw/zinc/61/30/30/271613030.db2.gz SCEOWQWYOIFIPW-AWEZNQCLSA-N 1 0 314.389 3.232 20 5 DGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000183046367 432252574 /nfs/dbraw/zinc/25/25/74/432252574.db2.gz OQDURJFWYLSGBT-WDEREUQCSA-N 1 0 304.350 3.169 20 5 DGBDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183051586 432252872 /nfs/dbraw/zinc/25/28/72/432252872.db2.gz XDLWQRQCCSFYNH-UWVGGRQHSA-N 1 0 313.785 3.211 20 5 DGBDRO CC(C)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265578306 273510992 /nfs/dbraw/zinc/51/09/92/273510992.db2.gz WDMPWCSLVHHAJI-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO CC(C)[C@@](C)(O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312430 273551461 /nfs/dbraw/zinc/55/14/61/273551461.db2.gz NRKYDZAHTYWWMJ-IRXDYDNUSA-N 1 0 306.406 3.359 20 5 DGBDRO CCC(=O)c1ccc(N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000281491170 273601068 /nfs/dbraw/zinc/60/10/68/273601068.db2.gz OANVIXBKWLRUAJ-CQSZACIVSA-N 1 0 319.405 3.108 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H](O)CC ZINC000453342657 273722847 /nfs/dbraw/zinc/72/28/47/273722847.db2.gz CZXMKLHDANIXMR-OAGGEKHMSA-N 1 0 306.406 3.456 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000450862319 273744293 /nfs/dbraw/zinc/74/42/93/273744293.db2.gz QQTXBQAOFKXSIH-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000338910075 274024994 /nfs/dbraw/zinc/02/49/94/274024994.db2.gz AVWJHQGNHDPZAW-UHFFFAOYSA-N 1 0 318.295 3.224 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000462793145 274118469 /nfs/dbraw/zinc/11/84/69/274118469.db2.gz YJEJTMDCQDRWKL-UHFFFAOYSA-N 1 0 321.421 3.162 20 5 DGBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279060610 274184266 /nfs/dbraw/zinc/18/42/66/274184266.db2.gz KWPTVVTWWBAJOG-WKPIXPDZSA-N 1 0 324.446 3.019 20 5 DGBDRO C[C@@H](CCCO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417354646 274208772 /nfs/dbraw/zinc/20/87/72/274208772.db2.gz ZWDGFGRXHWVMFO-GUYCJALGSA-N 1 0 306.406 3.361 20 5 DGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450249805 274217882 /nfs/dbraw/zinc/21/78/82/274217882.db2.gz CTRGHXIGAVVRBX-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000332212222 274294776 /nfs/dbraw/zinc/29/47/76/274294776.db2.gz VYENYVPWHIKGKE-NQBHXWOUSA-N 1 0 302.378 3.385 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420236270 275033308 /nfs/dbraw/zinc/03/33/08/275033308.db2.gz ZXTHXENPECDTHQ-CYBMUJFWSA-N 1 0 316.188 3.091 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442799477 275040082 /nfs/dbraw/zinc/04/00/82/275040082.db2.gz YMVOTQJXERPUKC-ZDUSSCGKSA-N 1 0 307.353 3.333 20 5 DGBDRO CC(C)(C)[S@](=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192874756 275534172 /nfs/dbraw/zinc/53/41/72/275534172.db2.gz ABMNDSXQMHZOER-OYHNWAKOSA-N 1 0 324.446 3.109 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433258457 275867921 /nfs/dbraw/zinc/86/79/21/275867921.db2.gz UGUGUMRWHKAHBN-IFIJOSMWSA-N 1 0 318.417 3.458 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433092748 275868397 /nfs/dbraw/zinc/86/83/97/275868397.db2.gz XSDXPEKEFGVTAW-RBOXIYTFSA-N 1 0 304.390 3.068 20 5 DGBDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000271809800 276023838 /nfs/dbraw/zinc/02/38/38/276023838.db2.gz AONWFSAKUAYBOI-YOEHRIQHSA-N 1 0 320.433 3.303 20 5 DGBDRO CC(C)c1ccc(CN(C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435447094 276052466 /nfs/dbraw/zinc/05/24/66/276052466.db2.gz NPBDGHARQVVLTB-OAHLLOKOSA-N 1 0 305.422 3.292 20 5 DGBDRO CC(C)c1ccc(C[N@H+](CC(C)(C)O)C2CC2)cc1[N+](=O)[O-] ZINC000189941129 276052578 /nfs/dbraw/zinc/05/25/78/276052578.db2.gz KOMCZUQBUWPYMS-UHFFFAOYSA-N 1 0 306.406 3.454 20 5 DGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000185233142 276281131 /nfs/dbraw/zinc/28/11/31/276281131.db2.gz DSEHYHFEMPSWQD-INIZCTEOSA-N 1 0 308.378 3.052 20 5 DGBDRO CCSc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090539394 276402273 /nfs/dbraw/zinc/40/22/73/276402273.db2.gz VLDUXPGCBSOFCE-GFCCVEGCSA-N 1 0 320.418 3.254 20 5 DGBDRO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295102641 278164442 /nfs/dbraw/zinc/16/44/42/278164442.db2.gz TUFHHSFWQUSCBJ-FMKPAKJESA-N 1 0 320.433 3.445 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COCc2ccccc21 ZINC000417374704 278298893 /nfs/dbraw/zinc/29/88/93/278298893.db2.gz ZIFYNQRPKSBHNO-GUYCJALGSA-N 1 0 312.369 3.387 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266534346 278313493 /nfs/dbraw/zinc/31/34/93/278313493.db2.gz NGAKHMFSJFXASB-HUUCEWRRSA-N 1 0 303.406 3.074 20 5 DGBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420182619 278313623 /nfs/dbraw/zinc/31/36/23/278313623.db2.gz GJVNCPWYQMQOTO-RKDXNWHRSA-N 1 0 318.204 3.465 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc[nH]c(=O)c1 ZINC000340446111 278371854 /nfs/dbraw/zinc/37/18/54/278371854.db2.gz JYTZCFYCADIHGD-BDJLRTHQSA-N 1 0 313.357 3.424 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])O1 ZINC000453413348 278604075 /nfs/dbraw/zinc/60/40/75/278604075.db2.gz RQRRFAVZIAKSRQ-SRABZTEZSA-N 1 0 318.417 3.463 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000269069050 288073309 /nfs/dbraw/zinc/07/33/09/288073309.db2.gz MGYBRBXPVFJLCU-OAUYIBNBSA-N 1 0 303.406 3.118 20 5 DGBDRO CC[NH+](CC)CCCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000181828639 279092520 /nfs/dbraw/zinc/09/25/20/279092520.db2.gz XHHBJTCXIUGZOH-UHFFFAOYSA-N 1 0 320.437 3.328 20 5 DGBDRO CCCO[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108398824 431139685 /nfs/dbraw/zinc/13/96/85/431139685.db2.gz XCICXFPUTLFTAW-KRWDZBQOSA-N 1 0 306.406 3.418 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000068836823 431142969 /nfs/dbraw/zinc/14/29/69/431142969.db2.gz HGDPTXGIADZPLO-OAHLLOKOSA-N 1 0 315.348 3.420 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068838150 431143603 /nfs/dbraw/zinc/14/36/03/431143603.db2.gz YWGKAKCYIXYTRS-CYBMUJFWSA-N 1 0 305.378 3.045 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000068828931 431143619 /nfs/dbraw/zinc/14/36/19/431143619.db2.gz JOFGSGZPHBALDH-LBPRGKRZSA-N 1 0 316.361 3.267 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)C1CCCCC1 ZINC000423261066 279382435 /nfs/dbraw/zinc/38/24/35/279382435.db2.gz IYEAQFZHPVOBJJ-CJNGLKHVSA-N 1 0 305.422 3.023 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCc1cccn1C ZINC000449151473 279382462 /nfs/dbraw/zinc/38/24/62/279382462.db2.gz XPJQKWZYPYVXDV-LSDHHAIUSA-N 1 0 315.417 3.475 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000449192590 279382508 /nfs/dbraw/zinc/38/25/08/279382508.db2.gz YVPLNTMWJUDRBA-DUFGSWQCSA-N 1 0 304.390 3.073 20 5 DGBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000111384484 431217028 /nfs/dbraw/zinc/21/70/28/431217028.db2.gz VFXRQDYRXCEIRA-MRXNPFEDSA-N 1 0 304.346 3.105 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247063617 279515538 /nfs/dbraw/zinc/51/55/38/279515538.db2.gz VEGSTGZMLNHVNU-BJJXKVORSA-N 1 0 322.430 3.300 20 5 DGBDRO COCC(C)(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113334509 431341411 /nfs/dbraw/zinc/34/14/11/431341411.db2.gz GUHUYVPGBVVIFZ-UHFFFAOYSA-N 1 0 321.402 3.233 20 5 DGBDRO CC[NH2+]CC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000113656039 431358109 /nfs/dbraw/zinc/35/81/09/431358109.db2.gz BXZYKSANEZFICV-UHFFFAOYSA-N 1 0 311.813 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCC[C@H]3O)o2)cc1 ZINC000074371026 431416424 /nfs/dbraw/zinc/41/64/24/431416424.db2.gz MRPGLIDKSVQURF-JKSUJKDBSA-N 1 0 316.357 3.248 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000114725418 431409047 /nfs/dbraw/zinc/40/90/47/431409047.db2.gz SIGGRROMCZYRKI-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO COc1ccc(C[N@@H+]2CCS[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000076066832 431519362 /nfs/dbraw/zinc/51/93/62/431519362.db2.gz OMIUIZGLAFHJEX-OAHLLOKOSA-N 1 0 310.419 3.177 20 5 DGBDRO CC(C)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000075833796 431499939 /nfs/dbraw/zinc/49/99/39/431499939.db2.gz PTTJFTSIDXOORJ-UHFFFAOYSA-N 1 0 320.389 3.329 20 5 DGBDRO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000117349780 431560021 /nfs/dbraw/zinc/56/00/21/431560021.db2.gz IOIVLCMORLSZBP-MRXNPFEDSA-N 1 0 319.405 3.068 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000192660113 280255850 /nfs/dbraw/zinc/25/58/50/280255850.db2.gz HOWBCJZWTXDVBA-APPDUMDISA-N 1 0 314.389 3.365 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000194027206 280363329 /nfs/dbraw/zinc/36/33/29/280363329.db2.gz YADKSCDOPPCTKQ-BRWVUGGUSA-N 1 0 316.401 3.075 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425370794 280374338 /nfs/dbraw/zinc/37/43/38/280374338.db2.gz KGYITASYSINNSB-QGZVFWFLSA-N 1 0 316.401 3.376 20 5 DGBDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000077318821 431580417 /nfs/dbraw/zinc/58/04/17/431580417.db2.gz HIFCBHZJUGZYCA-NWDGAFQWSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000119159932 431653189 /nfs/dbraw/zinc/65/31/89/431653189.db2.gz NXHXKYWKKFTWOZ-NWDGAFQWSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000119177351 431656879 /nfs/dbraw/zinc/65/68/79/431656879.db2.gz BGGWDCUEXNFUAP-OSAQELSMSA-N 1 0 319.405 3.256 20 5 DGBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000026469756 431676591 /nfs/dbraw/zinc/67/65/91/431676591.db2.gz OTOKBEQAUUECMH-SWLSCSKDSA-N 1 0 320.389 3.472 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000119405358 431689735 /nfs/dbraw/zinc/68/97/35/431689735.db2.gz CXBAJPPPKJUTFJ-IPQOISQHSA-N 1 0 318.398 3.183 20 5 DGBDRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000079694968 431739453 /nfs/dbraw/zinc/73/94/53/431739453.db2.gz FWWOSDRAVDALIL-UHFFFAOYSA-N 1 0 312.329 3.176 20 5 DGBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000085788179 431841564 /nfs/dbraw/zinc/84/15/64/431841564.db2.gz PBPFUIHYUKRBBL-UHFFFAOYSA-N 1 0 315.373 3.409 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC4(CCC4)C3)n2)c1 ZINC000123052094 431853660 /nfs/dbraw/zinc/85/36/60/431853660.db2.gz DOLHTBVHWWXZSJ-UHFFFAOYSA-N 1 0 314.345 3.021 20 5 DGBDRO C[NH+](C)CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000123291396 431861002 /nfs/dbraw/zinc/86/10/02/431861002.db2.gz AZQDSTZCXJXYIG-UHFFFAOYSA-N 1 0 323.412 3.288 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000093214435 431913797 /nfs/dbraw/zinc/91/37/97/431913797.db2.gz IBBOSURSWHRKPJ-NXEZZACHSA-N 1 0 303.284 3.295 20 5 DGBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000123823069 431875299 /nfs/dbraw/zinc/87/52/99/431875299.db2.gz RCMANENCELSSPA-YPMHNXCESA-N 1 0 312.797 3.374 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000090588407 431893115 /nfs/dbraw/zinc/89/31/15/431893115.db2.gz LAEQZTFOLVKFLH-TZMCWYRMSA-N 1 0 324.421 3.441 20 5 DGBDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000046517815 431898528 /nfs/dbraw/zinc/89/85/28/431898528.db2.gz JHSFBOVOZDJCNV-UHFFFAOYSA-N 1 0 314.341 3.013 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](Cc1cccnc1)C1CC1 ZINC000124701795 431901409 /nfs/dbraw/zinc/90/14/09/431901409.db2.gz SKJDUMNFPFZWKW-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000124827507 431906062 /nfs/dbraw/zinc/90/60/62/431906062.db2.gz RUZQNQXFEXQRQB-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO CC[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000125730980 431934448 /nfs/dbraw/zinc/93/44/48/431934448.db2.gz IJGKRKSWKLOIMW-RYUDHWBXSA-N 1 0 316.361 3.438 20 5 DGBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000049558742 431942051 /nfs/dbraw/zinc/94/20/51/431942051.db2.gz UOWRPDVHZBMCQQ-SECBINFHSA-N 1 0 305.300 3.366 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963834 431945324 /nfs/dbraw/zinc/94/53/24/431945324.db2.gz ALOWVJMLTLNUTQ-LBPRGKRZSA-N 1 0 311.813 3.068 20 5 DGBDRO CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000052644356 431957351 /nfs/dbraw/zinc/95/73/51/431957351.db2.gz WEJZSLORFSKXTB-LBPRGKRZSA-N 1 0 316.361 3.267 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000269052407 280982133 /nfs/dbraw/zinc/98/21/33/280982133.db2.gz IKUIHBBHCORULW-IGNZVWTISA-N 1 0 312.369 3.212 20 5 DGBDRO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CC1 ZINC000052890880 431959742 /nfs/dbraw/zinc/95/97/42/431959742.db2.gz DUZJAAZKYRNZPC-UHFFFAOYSA-N 1 0 306.362 3.083 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000182794393 281020343 /nfs/dbraw/zinc/02/03/43/281020343.db2.gz WVSUUZPVYSVWNO-KGLIPLIRSA-N 1 0 314.389 3.187 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)C ZINC000128272241 431991284 /nfs/dbraw/zinc/99/12/84/431991284.db2.gz BPEGIUJIZWUVAA-UHFFFAOYSA-N 1 0 311.357 3.040 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000151863142 432283609 /nfs/dbraw/zinc/28/36/09/432283609.db2.gz GFUCBUFJDNCJQF-DZGCQCFKSA-N 1 0 305.422 3.428 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000151863222 432283652 /nfs/dbraw/zinc/28/36/52/432283652.db2.gz GFUCBUFJDNCJQF-ZFWWWQNUSA-N 1 0 305.422 3.428 20 5 DGBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000183383480 432288330 /nfs/dbraw/zinc/28/83/30/432288330.db2.gz DNTHRYAHTNWDQA-DEYYWGMASA-N 1 0 314.385 3.410 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000248543132 432297479 /nfs/dbraw/zinc/29/74/79/432297479.db2.gz CUVIRFNGNCBVEG-RQJABVFESA-N 1 0 319.405 3.336 20 5 DGBDRO CN(C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000152028368 432298416 /nfs/dbraw/zinc/29/84/16/432298416.db2.gz FAUJPDZBNZMADI-AWEZNQCLSA-N 1 0 323.780 3.234 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H](C)C1 ZINC000248587109 432302640 /nfs/dbraw/zinc/30/26/40/432302640.db2.gz YAYILPBVFDFVRY-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000102888249 431999648 /nfs/dbraw/zinc/99/96/48/431999648.db2.gz SIRQHNSIHXJLHX-XJKSGUPXSA-N 1 0 300.358 3.287 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248031116 432264360 /nfs/dbraw/zinc/26/43/60/432264360.db2.gz QJVFIFZJCGUZOK-UKRRQHHQSA-N 1 0 323.824 3.164 20 5 DGBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000152449667 432333966 /nfs/dbraw/zinc/33/39/66/432333966.db2.gz QBAZFDUGMLGDHW-GFCCVEGCSA-N 1 0 311.813 3.022 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCCOC ZINC000271138544 432336899 /nfs/dbraw/zinc/33/68/99/432336899.db2.gz NTYMKFIWRKJTDK-ZDUSSCGKSA-N 1 0 312.435 3.482 20 5 DGBDRO Cc1nccn1CCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271004697 432314629 /nfs/dbraw/zinc/31/46/29/432314629.db2.gz KXVIMJYSQOFDSQ-ZDUSSCGKSA-N 1 0 302.378 3.183 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCCC[C@H]2c2ccccc2)c1 ZINC000174823502 432373585 /nfs/dbraw/zinc/37/35/85/432373585.db2.gz OTYCGFZFQHFTRT-KRWDZBQOSA-N 1 0 314.389 3.409 20 5 DGBDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1C ZINC000174873320 432375089 /nfs/dbraw/zinc/37/50/89/432375089.db2.gz CCGHBUZQLBDZIE-KRWDZBQOSA-N 1 0 314.389 3.245 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1ccccn1 ZINC000153008964 432375563 /nfs/dbraw/zinc/37/55/63/432375563.db2.gz CGDCKTWUDYUPRU-UHFFFAOYSA-N 1 0 315.373 3.063 20 5 DGBDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174878269 432376914 /nfs/dbraw/zinc/37/69/14/432376914.db2.gz ATFGGHQBXOGDNK-LRDDRELGSA-N 1 0 318.352 3.014 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2ncccc12 ZINC000271380384 432384196 /nfs/dbraw/zinc/38/41/96/432384196.db2.gz XFVMODYXIUHGAJ-CJNGLKHVSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3(CO)CCC3)o2)c1 ZINC000184376511 432384845 /nfs/dbraw/zinc/38/48/45/432384845.db2.gz QNVKKRCVIRVCKE-UHFFFAOYSA-N 1 0 316.357 3.107 20 5 DGBDRO CC[NH+](CC)CCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588731 432390764 /nfs/dbraw/zinc/39/07/64/432390764.db2.gz BFBPFDQUORKZJZ-KRWDZBQOSA-N 1 0 305.422 3.294 20 5 DGBDRO CC1(C)[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H]2CCO[C@H]21 ZINC000253354950 432390842 /nfs/dbraw/zinc/39/08/42/432390842.db2.gz QZJHRAUTEFFJOB-MWQQHZPXSA-N 1 0 316.401 3.375 20 5 DGBDRO CCc1nnc([C@H](C)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271425141 432392254 /nfs/dbraw/zinc/39/22/54/432392254.db2.gz CKKMSRZCAJOKOW-GWCFXTLKSA-N 1 0 303.366 3.077 20 5 DGBDRO CC[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175051427 432392934 /nfs/dbraw/zinc/39/29/34/432392934.db2.gz BOMPDBDEEKXMFU-CQSZACIVSA-N 1 0 323.393 3.160 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271438277 432395818 /nfs/dbraw/zinc/39/58/18/432395818.db2.gz BPDQRMQRFBZNIO-DGCLKSJQSA-N 1 0 316.361 3.408 20 5 DGBDRO Cc1n[nH]cc1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192648606 432396294 /nfs/dbraw/zinc/39/62/94/432396294.db2.gz REGZGKWMGVGJKU-KRWDZBQOSA-N 1 0 314.389 3.226 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000192685518 432400824 /nfs/dbraw/zinc/40/08/24/432400824.db2.gz RRNRIUUTFXGKKJ-RYUDHWBXSA-N 1 0 323.393 3.159 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC2(C1)CCOCC2 ZINC000271232174 432359492 /nfs/dbraw/zinc/35/94/92/432359492.db2.gz UXQBLKCRRGVHDB-HWKANZROSA-N 1 0 302.374 3.111 20 5 DGBDRO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193007546 432439364 /nfs/dbraw/zinc/43/93/64/432439364.db2.gz MVYISJCWDAWILF-LRDDRELGSA-N 1 0 306.406 3.359 20 5 DGBDRO CC[N@H+](CC(C)C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000153770542 432441957 /nfs/dbraw/zinc/44/19/57/432441957.db2.gz GEHWLLTXWUCHGD-CYBMUJFWSA-N 1 0 307.394 3.208 20 5 DGBDRO CCc1cnc(CN(C)Cc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000175525726 432445504 /nfs/dbraw/zinc/44/55/04/432445504.db2.gz QEZSPLIBTAOCTN-UHFFFAOYSA-N 1 0 321.402 3.254 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCO[C@H]2CCCCO2)C2CC2)c1 ZINC000193068277 432446168 /nfs/dbraw/zinc/44/61/68/432446168.db2.gz VNODUYFMSDAGMV-KRWDZBQOSA-N 1 0 320.389 3.102 20 5 DGBDRO CC(C)[NH2+]C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255130963 432407824 /nfs/dbraw/zinc/40/78/24/432407824.db2.gz HPWJFNSSTWCUGQ-ALCCZGGFSA-N 1 0 303.406 3.070 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000153510018 432415403 /nfs/dbraw/zinc/41/54/03/432415403.db2.gz ZBGURUJXEAZJHR-AWEZNQCLSA-N 1 0 320.780 3.358 20 5 DGBDRO CC(C)(CO)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192894276 432425274 /nfs/dbraw/zinc/42/52/74/432425274.db2.gz ZGGLKJZJSUQDJI-INIZCTEOSA-N 1 0 306.406 3.361 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)[C@@H](CO)SC)c1cccc([N+](=O)[O-])c1 ZINC000154281917 432487502 /nfs/dbraw/zinc/48/75/02/432487502.db2.gz UQUQPBLCOSZSOI-TUKIKUTGSA-N 1 0 312.435 3.138 20 5 DGBDRO COc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000193713248 432492902 /nfs/dbraw/zinc/49/29/02/432492902.db2.gz ODKLXTXFXPUGNG-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000272407726 432495278 /nfs/dbraw/zinc/49/52/78/432495278.db2.gz FJNADGJLNHENEH-ZDUSSCGKSA-N 1 0 300.358 3.246 20 5 DGBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)s1 ZINC000176195407 432499685 /nfs/dbraw/zinc/49/96/85/432499685.db2.gz NWFLGTAJAYQLHF-UHFFFAOYSA-N 1 0 314.798 3.028 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCCC[C@@H]2c2ccco2)n1 ZINC000176249719 432504872 /nfs/dbraw/zinc/50/48/72/432504872.db2.gz NZKYXHDKYGIGLQ-CYBMUJFWSA-N 1 0 304.350 3.002 20 5 DGBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176269850 432505424 /nfs/dbraw/zinc/50/54/24/432505424.db2.gz XVTSVGCDSSPJCU-MRXNPFEDSA-N 1 0 316.405 3.053 20 5 DGBDRO Cc1cccc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1C ZINC000176261853 432506301 /nfs/dbraw/zinc/50/63/01/432506301.db2.gz DDQWLFADYPIAFL-MRXNPFEDSA-N 1 0 314.389 3.245 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000153997826 432462093 /nfs/dbraw/zinc/46/20/93/432462093.db2.gz UEDRZQSMEMQCTA-KRWDZBQOSA-N 1 0 313.357 3.206 20 5 DGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000261949563 432464143 /nfs/dbraw/zinc/46/41/43/432464143.db2.gz MTAFRSBSNDNBTA-UWVGGRQHSA-N 1 0 317.311 3.414 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1Cl ZINC000155476379 432557477 /nfs/dbraw/zinc/55/74/77/432557477.db2.gz QEXDYCXNUHICPV-DOMZBBRYSA-N 1 0 310.781 3.249 20 5 DGBDRO COc1cccc(N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000185586172 432513433 /nfs/dbraw/zinc/51/34/33/432513433.db2.gz CBKJKMKURJTUSU-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO Cn1ccnc1[C@@H]([NH2+]CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272558475 432524731 /nfs/dbraw/zinc/52/47/31/432524731.db2.gz SUHIFQUGNNEHPZ-INIZCTEOSA-N 1 0 314.389 3.198 20 5 DGBDRO Cc1cc(N[C@@H]2CCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272890582 432537196 /nfs/dbraw/zinc/53/71/96/432537196.db2.gz XUPBDDDBPKZAAE-NWDGAFQWSA-N 1 0 301.346 3.431 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000186666671 432619562 /nfs/dbraw/zinc/61/95/62/432619562.db2.gz PRPHYWWOKRZRJD-ACJLOTCBSA-N 1 0 319.408 3.116 20 5 DGBDRO CO[C@@H](C)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264542472 432657091 /nfs/dbraw/zinc/65/70/91/432657091.db2.gz RKPVAXHBKNAHSK-LBPRGKRZSA-N 1 0 304.346 3.369 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177859007 432668230 /nfs/dbraw/zinc/66/82/30/432668230.db2.gz BRWVHHNADHSZTP-GFCCVEGCSA-N 1 0 307.394 3.210 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000178098797 432695218 /nfs/dbraw/zinc/69/52/18/432695218.db2.gz OHGYMXCCIYNLHH-OLZOCXBDSA-N 1 0 319.405 3.001 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000178173297 432702636 /nfs/dbraw/zinc/70/26/36/432702636.db2.gz FTLRPXRVICYINY-ZDUSSCGKSA-N 1 0 306.410 3.222 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000177911340 432673319 /nfs/dbraw/zinc/67/33/19/432673319.db2.gz KPFUVMQPNUPCGJ-UTUOFQBUSA-N 1 0 316.361 3.436 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000237241227 432782143 /nfs/dbraw/zinc/78/21/43/432782143.db2.gz FFGOPSSLELGCEX-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO C[NH+](C)CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000275839107 432753567 /nfs/dbraw/zinc/75/35/67/432753567.db2.gz MEZKNAXOESGEJK-UHFFFAOYSA-N 1 0 319.386 3.013 20 5 DGBDRO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680800 432765811 /nfs/dbraw/zinc/76/58/11/432765811.db2.gz UBHJKKOUBAWFAS-OLZOCXBDSA-N 1 0 321.421 3.247 20 5 DGBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178718911 432770127 /nfs/dbraw/zinc/77/01/27/432770127.db2.gz ZFXZAJOYFLYPQZ-RYUDHWBXSA-N 1 0 302.378 3.357 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000161474296 432781753 /nfs/dbraw/zinc/78/17/53/432781753.db2.gz OUJCMGQAIGQFPU-RHSMWYFYSA-N 1 0 314.385 3.330 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000161474431 432781920 /nfs/dbraw/zinc/78/19/20/432781920.db2.gz OUJCMGQAIGQFPU-WMLDXEAASA-N 1 0 314.385 3.330 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000267181885 432820560 /nfs/dbraw/zinc/82/05/60/432820560.db2.gz KKUVVGZEWHHNNX-YVEFUNNKSA-N 1 0 318.348 3.254 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000245448162 432831774 /nfs/dbraw/zinc/83/17/74/432831774.db2.gz MQFOVDRXUHASSV-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H](N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245455114 432832987 /nfs/dbraw/zinc/83/29/87/432832987.db2.gz HUHWILZLTOHHGR-QLFBSQMISA-N 1 0 305.422 3.366 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000277293888 432835248 /nfs/dbraw/zinc/83/52/48/432835248.db2.gz RLDSFPODLKRWPS-WFASDCNBSA-N 1 0 310.419 3.223 20 5 DGBDRO Cc1cc(NCCOCC(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000276257033 432789573 /nfs/dbraw/zinc/78/95/73/432789573.db2.gz RVNIRCZWHCJOGM-UHFFFAOYSA-N 1 0 311.288 3.145 20 5 DGBDRO CCC(O)(CC)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000276276451 432791261 /nfs/dbraw/zinc/79/12/61/432791261.db2.gz WASMHNFMMQOUDS-UHFFFAOYSA-N 1 0 300.786 3.279 20 5 DGBDRO CCn1cc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000276309732 432793908 /nfs/dbraw/zinc/79/39/08/432793908.db2.gz LUTIVRUNFAOKDJ-ZDUSSCGKSA-N 1 0 302.378 3.013 20 5 DGBDRO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000266899116 432795174 /nfs/dbraw/zinc/79/51/74/432795174.db2.gz SZBIQVZPCARKFC-ZDUSSCGKSA-N 1 0 303.406 3.262 20 5 DGBDRO CC(=O)c1ccc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000268278623 432860866 /nfs/dbraw/zinc/86/08/66/432860866.db2.gz VWHAZVQBXHRMOT-AWEZNQCLSA-N 1 0 319.405 3.187 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000245847859 432864856 /nfs/dbraw/zinc/86/48/56/432864856.db2.gz FGIIERVKRYLORS-AEAUEXCSSA-N 1 0 302.374 3.203 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000268364471 432866179 /nfs/dbraw/zinc/86/61/79/432866179.db2.gz UTVDWPSZVFGMCB-ABAIWWIYSA-N 1 0 306.362 3.130 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000245535913 432840099 /nfs/dbraw/zinc/84/00/99/432840099.db2.gz WVSUUZPVYSVWNO-ZIAGYGMSSA-N 1 0 314.389 3.187 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000330654993 432922909 /nfs/dbraw/zinc/92/29/09/432922909.db2.gz MHONSHHZTGGOTO-QWHCGFSZSA-N 1 0 305.378 3.105 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000330657431 432923049 /nfs/dbraw/zinc/92/30/49/432923049.db2.gz OIHQQEUHFMMHGH-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000330663201 432923704 /nfs/dbraw/zinc/92/37/04/432923704.db2.gz SSOVXCPFLHQDAJ-QWHCGFSZSA-N 1 0 305.378 3.105 20 5 DGBDRO CC[C@@H](CCO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279118062 432936713 /nfs/dbraw/zinc/93/67/13/432936713.db2.gz PWDMFFYLXTVRNJ-LRDDRELGSA-N 1 0 306.406 3.315 20 5 DGBDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000296912045 432938518 /nfs/dbraw/zinc/93/85/18/432938518.db2.gz WIWKIBLGAMDRLF-IIAWOOMASA-N 1 0 314.389 3.058 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CCCCC3)C2)nc1 ZINC000331453917 432941371 /nfs/dbraw/zinc/94/13/71/432941371.db2.gz ISGOUPBYRSPJLT-AWEZNQCLSA-N 1 0 304.394 3.056 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CCCCC3)C2)nc1 ZINC000331453921 432942021 /nfs/dbraw/zinc/94/20/21/432942021.db2.gz ISGOUPBYRSPJLT-CQSZACIVSA-N 1 0 304.394 3.056 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279226529 432947874 /nfs/dbraw/zinc/94/78/74/432947874.db2.gz IQVYTFWBIVTKOO-FZMZJTMJSA-N 1 0 316.361 3.313 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000296354813 432899949 /nfs/dbraw/zinc/89/99/49/432899949.db2.gz RWBKXWLUBNSYEJ-BNOWGMLFSA-N 1 0 310.781 3.151 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000296354822 432900003 /nfs/dbraw/zinc/90/00/03/432900003.db2.gz RWBKXWLUBNSYEJ-MRVWCRGKSA-N 1 0 310.781 3.151 20 5 DGBDRO C[C@H](CCc1ccco1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278792946 432901610 /nfs/dbraw/zinc/90/16/10/432901610.db2.gz WWRMMBCEBVVUDI-LLVKDONJSA-N 1 0 314.345 3.175 20 5 DGBDRO CCC[C@@H](NCc1nnc(C2CC2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000296450588 432909858 /nfs/dbraw/zinc/90/98/58/432909858.db2.gz MSJVOTPSTWLEJG-CQSZACIVSA-N 1 0 315.377 3.221 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000330552572 432917295 /nfs/dbraw/zinc/91/72/95/432917295.db2.gz YCBMHEDUBULEPI-IACUBPJLSA-N 1 0 319.405 3.256 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC=CCC2)n1 ZINC000332060105 432970303 /nfs/dbraw/zinc/97/03/03/432970303.db2.gz PLZLOHPFDILVCV-RBSFLKMASA-N 1 0 304.394 3.221 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC=CCC2)n1 ZINC000332060104 432970545 /nfs/dbraw/zinc/97/05/45/432970545.db2.gz PLZLOHPFDILVCV-QLFBSQMISA-N 1 0 304.394 3.221 20 5 DGBDRO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000332080973 432971116 /nfs/dbraw/zinc/97/11/16/432971116.db2.gz KXUUVWLDBUNEOB-DGCLKSJQSA-N 1 0 316.361 3.145 20 5 DGBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279472080 432972840 /nfs/dbraw/zinc/97/28/40/432972840.db2.gz KALUEKUDGTXXHV-RKDXNWHRSA-N 1 0 306.284 3.127 20 5 DGBDRO C[NH+](C)C[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000290116046 432995061 /nfs/dbraw/zinc/99/50/61/432995061.db2.gz LSTYMOMAQJONKP-CQSZACIVSA-N 1 0 323.393 3.188 20 5 DGBDRO Cc1c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000332352063 432999945 /nfs/dbraw/zinc/99/99/45/432999945.db2.gz SSKKIOCBYNMLHL-HNNXBMFYSA-N 1 0 314.389 3.016 20 5 DGBDRO COc1ccc(CN2CCC(F)(F)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000289375848 432951535 /nfs/dbraw/zinc/95/15/35/432951535.db2.gz BTJSTVVRUPVTEM-SNVBAGLBSA-N 1 0 300.305 3.081 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000279380722 432961299 /nfs/dbraw/zinc/96/12/99/432961299.db2.gz XUGOQXSNNQHHBQ-WCQYABFASA-N 1 0 305.378 3.010 20 5 DGBDRO CC(C)C(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290397661 433044718 /nfs/dbraw/zinc/04/47/18/433044718.db2.gz STILPBRJVMFYJK-UHFFFAOYSA-N 1 0 320.389 3.053 20 5 DGBDRO CCC[NH+](CCC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297724115 433010452 /nfs/dbraw/zinc/01/04/52/433010452.db2.gz CCNSESSEYQAUDG-UHFFFAOYSA-N 1 0 323.393 3.054 20 5 DGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453332734 433098579 /nfs/dbraw/zinc/09/85/79/433098579.db2.gz VNZVIQAKNRSUOH-AAJLLMFJSA-N 1 0 318.417 3.463 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000354524255 433127001 /nfs/dbraw/zinc/12/70/01/433127001.db2.gz FPJNWGSHCKOCKT-CYBMUJFWSA-N 1 0 320.389 3.234 20 5 DGBDRO Cc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420283773 433143984 /nfs/dbraw/zinc/14/39/84/433143984.db2.gz OBBVBPIQACSFMT-QWHCGFSZSA-N 1 0 314.389 3.381 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000420282401 433145594 /nfs/dbraw/zinc/14/55/94/433145594.db2.gz NCUSMNBHCQBNQO-NEPJUHHUSA-N 1 0 300.362 3.072 20 5 DGBDRO CC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H](O)CC ZINC000453342659 433104776 /nfs/dbraw/zinc/10/47/76/433104776.db2.gz CZXMKLHDANIXMR-PMPSAXMXSA-N 1 0 306.406 3.456 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000453351305 433112680 /nfs/dbraw/zinc/11/26/80/433112680.db2.gz HGYXDZDTRBKXTR-KBPBESRZSA-N 1 0 322.405 3.461 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000446848197 433119926 /nfs/dbraw/zinc/11/99/26/433119926.db2.gz FVQNSDCKDDHIQM-UTUOFQBUSA-N 1 0 302.378 3.385 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000446848193 433120361 /nfs/dbraw/zinc/12/03/61/433120361.db2.gz FVQNSDCKDDHIQM-GRYCIOLGSA-N 1 0 302.378 3.385 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCC[C@@H]3C3CC3)nc2c1 ZINC000446858087 433120660 /nfs/dbraw/zinc/12/06/60/433120660.db2.gz YNYVWLHVYAVJLA-OLZOCXBDSA-N 1 0 300.362 3.139 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000425367639 433208256 /nfs/dbraw/zinc/20/82/56/433208256.db2.gz CLHLIYWNCHXVGR-KRWDZBQOSA-N 1 0 316.401 3.376 20 5 DGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000290773406 433162972 /nfs/dbraw/zinc/16/29/72/433162972.db2.gz VPGARTCLMGLMDV-GFCCVEGCSA-N 1 0 302.378 3.284 20 5 DGBDRO CCC[C@]1(COC)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000447393884 433197412 /nfs/dbraw/zinc/19/74/12/433197412.db2.gz GSOKZUQVWGCJTG-QGZVFWFLSA-N 1 0 322.405 3.255 20 5 DGBDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000341680434 433204949 /nfs/dbraw/zinc/20/49/49/433204949.db2.gz CZWXVWUHBPYCDN-INIZCTEOSA-N 1 0 316.405 3.477 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccs2)n1 ZINC000447519913 433214570 /nfs/dbraw/zinc/21/45/70/433214570.db2.gz ROJMYUQNNCJPNJ-CHWSQXEVSA-N 1 0 306.391 3.126 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(F)c2)n1 ZINC000447533515 433218929 /nfs/dbraw/zinc/21/89/29/433218929.db2.gz XWGNXRGLJLRZAK-GJZGRUSLSA-N 1 0 318.352 3.204 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000361518524 433219814 /nfs/dbraw/zinc/21/98/14/433219814.db2.gz HWYPHFMACYEDLU-UHFFFAOYSA-N 1 0 307.394 3.291 20 5 DGBDRO C[C@@H]([NH2+]CCN1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000447572606 433232883 /nfs/dbraw/zinc/23/28/83/433232883.db2.gz OTJCSUZKIUHMLH-CQSZACIVSA-N 1 0 305.422 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC(F)(F)F)CCC2 ZINC000447596450 433240712 /nfs/dbraw/zinc/24/07/12/433240712.db2.gz CKYBLLYMRSPOBT-LBPRGKRZSA-N 1 0 304.268 3.098 20 5 DGBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CCC[N@@H+]1C ZINC000413232629 433266695 /nfs/dbraw/zinc/26/66/95/433266695.db2.gz CMMQCLXXZSYKHS-AAEUAGOBSA-N 1 0 300.362 3.038 20 5 DGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413221280 433267988 /nfs/dbraw/zinc/26/79/88/433267988.db2.gz JEFLVAMZPPSYJE-GFCCVEGCSA-N 1 0 318.352 3.061 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)C1CCCCC1 ZINC000449207908 289747783 /nfs/dbraw/zinc/74/77/83/289747783.db2.gz RPUXIBZSPYDFLZ-PBHICJAKSA-N 1 0 320.433 3.447 20 5 DGBDRO CCC[NH+]1CCC(N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000299481956 433372089 /nfs/dbraw/zinc/37/20/89/433372089.db2.gz AGWUQQYFGZCWHR-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000361679801 433339845 /nfs/dbraw/zinc/33/98/45/433339845.db2.gz YTYVIADXGOAXEO-ZDUSSCGKSA-N 1 0 310.419 3.461 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421025023 433388913 /nfs/dbraw/zinc/38/89/13/433388913.db2.gz XXKBSCWRLIMAHG-GJZGRUSLSA-N 1 0 306.406 3.449 20 5 DGBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000425971563 433390081 /nfs/dbraw/zinc/39/00/81/433390081.db2.gz QKVGBIIYKSNRSV-OCCSQVGLSA-N 1 0 316.357 3.058 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421025024 433393537 /nfs/dbraw/zinc/39/35/37/433393537.db2.gz XXKBSCWRLIMAHG-HUUCEWRRSA-N 1 0 306.406 3.449 20 5 DGBDRO CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H](C)C1 ZINC000281860773 433411508 /nfs/dbraw/zinc/41/15/08/433411508.db2.gz ALUZVHARBLHNQK-CJNGLKHVSA-N 1 0 322.405 3.381 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000301123044 433424541 /nfs/dbraw/zinc/42/45/41/433424541.db2.gz MYEYAZONNRVWCI-BLLLJJGKSA-N 1 0 306.410 3.221 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1(O)CCCCCC1 ZINC000426215972 433442634 /nfs/dbraw/zinc/44/26/34/433442634.db2.gz OIUTVMIBJOAJRP-UHFFFAOYSA-N 1 0 322.405 3.121 20 5 DGBDRO C[NH+](C)[C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000342079505 433453726 /nfs/dbraw/zinc/45/37/26/433453726.db2.gz SXZBKIFJDWZAGJ-VIFPVBQESA-N 1 0 304.177 3.042 20 5 DGBDRO CC(C)([NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000292091732 433457220 /nfs/dbraw/zinc/45/72/20/433457220.db2.gz GXEBLZTURXJMJA-OAHLLOKOSA-N 1 0 314.385 3.023 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000301228722 433460206 /nfs/dbraw/zinc/46/02/06/433460206.db2.gz IDIRADMZGMYSFP-SCRDCRAPSA-N 1 0 306.410 3.077 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000301234439 433464838 /nfs/dbraw/zinc/46/48/38/433464838.db2.gz CHVZUBUMFZTBTH-HNNXBMFYSA-N 1 0 319.405 3.474 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1C ZINC000355106416 433463658 /nfs/dbraw/zinc/46/36/58/433463658.db2.gz MZYTXFBQBBZEEP-ZJUUUORDSA-N 1 0 300.305 3.427 20 5 DGBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000301254432 433474271 /nfs/dbraw/zinc/47/42/71/433474271.db2.gz CRDDYLGKLKGPLY-QWRGUYRKSA-N 1 0 312.801 3.176 20 5 DGBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)C1CC[NH+](C2CC2)CC1 ZINC000292290680 433539378 /nfs/dbraw/zinc/53/93/78/433539378.db2.gz MHDVWOQKCAVEAI-UHFFFAOYSA-N 1 0 323.780 3.061 20 5 DGBDRO CCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301280172 433485624 /nfs/dbraw/zinc/48/56/24/433485624.db2.gz NSTLYRHDIMMFLH-UHFFFAOYSA-N 1 0 312.801 3.320 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000414254880 433488996 /nfs/dbraw/zinc/48/89/96/433488996.db2.gz BRVQDULUYLUNNZ-ABHRYQDASA-N 1 0 322.405 3.458 20 5 DGBDRO C[C@@H]1C[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[C@@H](C)O1 ZINC000414259085 433493092 /nfs/dbraw/zinc/49/30/92/433493092.db2.gz FMHHNRUMWGKLAP-KFZJALRRSA-N 1 0 318.417 3.319 20 5 DGBDRO CC1(C)CC(Nc2ncc([N+](=O)[O-])cc2Cl)CC(C)(C)[NH2+]1 ZINC000301295969 433495157 /nfs/dbraw/zinc/49/51/57/433495157.db2.gz XNWWUVLNCDIGHE-UHFFFAOYSA-N 1 0 312.801 3.364 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)o2)cc1 ZINC000426468142 433505250 /nfs/dbraw/zinc/50/52/50/433505250.db2.gz FBGDYVIXTZCLQE-RISCZKNCSA-N 1 0 314.345 3.019 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H]4CCC[C@H]43)o2)cc1 ZINC000426468140 433505864 /nfs/dbraw/zinc/50/58/64/433505864.db2.gz FBGDYVIXTZCLQE-BXUZGUMPSA-N 1 0 314.345 3.019 20 5 DGBDRO Cc1cc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301432535 433553271 /nfs/dbraw/zinc/55/32/71/433553271.db2.gz PKENCUBBYVTNFA-MLGOLLRUSA-N 1 0 306.410 3.221 20 5 DGBDRO COCCN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000362169247 433558393 /nfs/dbraw/zinc/55/83/93/433558393.db2.gz FUPODKKGFXEYNJ-OLZOCXBDSA-N 1 0 310.369 3.371 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c(Cl)c1 ZINC000301462424 433564319 /nfs/dbraw/zinc/56/43/19/433564319.db2.gz JLFOYBBAKLKVBN-LBPRGKRZSA-N 1 0 324.812 3.320 20 5 DGBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301500507 433581848 /nfs/dbraw/zinc/58/18/48/433581848.db2.gz DNBLOOMULJIPDW-UHFFFAOYSA-N 1 0 317.311 3.146 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+]1CCCCC1 ZINC000301529199 433596552 /nfs/dbraw/zinc/59/65/52/433596552.db2.gz ORQREXJWCPKSLW-ZDUSSCGKSA-N 1 0 307.394 3.028 20 5 DGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1Cl ZINC000301536131 433599182 /nfs/dbraw/zinc/59/91/82/433599182.db2.gz AOSAQXRHYRODOJ-YPMHNXCESA-N 1 0 309.797 3.311 20 5 DGBDRO COC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293110765 433618960 /nfs/dbraw/zinc/61/89/60/433618960.db2.gz OOASFGYTMDKSGR-JTQLQIEISA-N 1 0 318.295 3.082 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301584987 433622237 /nfs/dbraw/zinc/62/22/37/433622237.db2.gz OOTSHRRAHWFDCR-STQMWFEESA-N 1 0 314.389 3.428 20 5 DGBDRO COc1cc(C[NH2+]C[C@H]2CCCC2(C)C)c([N+](=O)[O-])cc1O ZINC000339574323 433661484 /nfs/dbraw/zinc/66/14/84/433661484.db2.gz HTDSELKYJXDDFP-GFCCVEGCSA-N 1 0 308.378 3.225 20 5 DGBDRO Cc1nc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301669050 433666185 /nfs/dbraw/zinc/66/61/85/433666185.db2.gz YCVPJTJJTPBAKA-CHWSQXEVSA-N 1 0 306.410 3.078 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000366701533 292978970 /nfs/dbraw/zinc/97/89/70/292978970.db2.gz ZEXZJMBHJHBSIT-FZKQIMNGSA-N 1 0 311.385 3.432 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)C(C)C ZINC000414529819 433695836 /nfs/dbraw/zinc/69/58/36/433695836.db2.gz PPBRMZBGGSIHLT-KGLIPLIRSA-N 1 0 300.786 3.133 20 5 DGBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000283270140 433701491 /nfs/dbraw/zinc/70/14/91/433701491.db2.gz LFVMVCROMFZAGL-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO CC1CC[NH+](CCCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301731142 433699325 /nfs/dbraw/zinc/69/93/25/433699325.db2.gz DQNDVIMGRHCKLO-UHFFFAOYSA-N 1 0 312.801 3.177 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000370724114 293186262 /nfs/dbraw/zinc/18/62/62/293186262.db2.gz XAVDVMUYVNACFE-INIZCTEOSA-N 1 0 304.390 3.152 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)ccc1Cl ZINC000374386824 293392868 /nfs/dbraw/zinc/39/28/68/293392868.db2.gz ADLSLJHZOGJAMD-CHWSQXEVSA-N 1 0 310.781 3.107 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000374494571 293407835 /nfs/dbraw/zinc/40/78/35/293407835.db2.gz DZPZMPSEFTWKTB-PVUWLOKVSA-N 1 0 304.390 3.073 20 5 DGBDRO O=C(CC[N@@H+]1CC[C@H](CC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339673989 433718334 /nfs/dbraw/zinc/71/83/34/433718334.db2.gz IDVVXXQKLYMVCG-CQSZACIVSA-N 1 0 317.389 3.045 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449061494 433719586 /nfs/dbraw/zinc/71/95/86/433719586.db2.gz GLGDPIZEWPQNEJ-CYBMUJFWSA-N 1 0 300.358 3.324 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000449063433 433719854 /nfs/dbraw/zinc/71/98/54/433719854.db2.gz MRFYYSKJZWBTEC-CJNGLKHVSA-N 1 0 317.389 3.011 20 5 DGBDRO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000283410820 433720886 /nfs/dbraw/zinc/72/08/86/433720886.db2.gz FIESWUUYRIYYNW-GFCCVEGCSA-N 1 0 310.369 3.249 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339683109 433730932 /nfs/dbraw/zinc/73/09/32/433730932.db2.gz MKGQNTDABCFHQK-GXTWGEPZSA-N 1 0 317.389 3.044 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2ccc(N)cc2[N+](=O)[O-])c1 ZINC000283629407 433754985 /nfs/dbraw/zinc/75/49/85/433754985.db2.gz TWSNGKWANLOXGN-UHFFFAOYSA-N 1 0 314.389 3.241 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)c1ccccc1 ZINC000449155582 433724522 /nfs/dbraw/zinc/72/45/22/433724522.db2.gz BIINTWQEHOHBFX-WMLDXEAASA-N 1 0 314.385 3.239 20 5 DGBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301894212 433784334 /nfs/dbraw/zinc/78/43/34/433784334.db2.gz SSEOARMBMHIBJM-UHFFFAOYSA-N 1 0 321.421 3.303 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000449789494 433805986 /nfs/dbraw/zinc/80/59/86/433805986.db2.gz ZYSUUTZBLWKVCV-SPQRHKFCSA-N 1 0 317.433 3.413 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421922106 433807599 /nfs/dbraw/zinc/80/75/99/433807599.db2.gz ZSEGTZIWVHXKLY-CQSZACIVSA-N 1 0 321.421 3.062 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000449792019 433807762 /nfs/dbraw/zinc/80/77/62/433807762.db2.gz RBCYRZFZJIPEGT-YVGNARHYSA-N 1 0 304.390 3.093 20 5 DGBDRO C[C@H](C1CCC1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000357014855 433818931 /nfs/dbraw/zinc/81/89/31/433818931.db2.gz YDLDWGWLXRCWNG-LLVKDONJSA-N 1 0 306.362 3.082 20 5 DGBDRO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284097773 433837752 /nfs/dbraw/zinc/83/77/52/433837752.db2.gz MQJSAEZIRMAANY-VXGBXAGGSA-N 1 0 315.373 3.081 20 5 DGBDRO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000343914829 433838473 /nfs/dbraw/zinc/83/84/73/433838473.db2.gz MVQXQQUZFMCUPY-ZDUSSCGKSA-N 1 0 303.406 3.262 20 5 DGBDRO CC1CC[NH+](CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000343970759 433841610 /nfs/dbraw/zinc/84/16/10/433841610.db2.gz YKTGITIXOBVDBJ-UHFFFAOYSA-N 1 0 317.433 3.291 20 5 DGBDRO CC(C)[C@@H](O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433269178 433848707 /nfs/dbraw/zinc/84/87/07/433848707.db2.gz HQGNQQBZNWOCLP-HOTGVXAUSA-N 1 0 306.406 3.314 20 5 DGBDRO Cc1ccc([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC000339913809 433852875 /nfs/dbraw/zinc/85/28/75/433852875.db2.gz BPSQWDZLQJNNNQ-LBPRGKRZSA-N 1 0 324.340 3.042 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284184835 433855144 /nfs/dbraw/zinc/85/51/44/433855144.db2.gz REXMLLPFQCCWKC-NSHDSACASA-N 1 0 301.346 3.036 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000352017151 433862752 /nfs/dbraw/zinc/86/27/52/433862752.db2.gz DDOQAEJEWHIXHF-KRWDZBQOSA-N 1 0 323.396 3.232 20 5 DGBDRO O=C(C[N@@H+]1CCC[C@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000377534630 433905461 /nfs/dbraw/zinc/90/54/61/433905461.db2.gz VTGGFFOQXZRARG-ZDUSSCGKSA-N 1 0 323.780 3.061 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284975108 433910729 /nfs/dbraw/zinc/91/07/29/433910729.db2.gz FXMPDSNTBWUQBE-JTQLQIEISA-N 1 0 320.780 3.119 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000436271334 433924668 /nfs/dbraw/zinc/92/46/68/433924668.db2.gz CUURNMHGFILJHW-UHFFFAOYSA-N 1 0 314.370 3.336 20 5 DGBDRO CC[C@H]([NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414977629 433952938 /nfs/dbraw/zinc/95/29/38/433952938.db2.gz KFUHHUIFZNGWMH-JTQLQIEISA-N 1 0 323.780 3.335 20 5 DGBDRO Nc1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000285518460 433979670 /nfs/dbraw/zinc/97/96/70/433979670.db2.gz GLJBPAZXQCHDRK-OAHLLOKOSA-N 1 0 316.361 3.019 20 5 DGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285605530 434013300 /nfs/dbraw/zinc/01/33/00/434013300.db2.gz PTYLFZSNSLVNEI-TZMCWYRMSA-N 1 0 323.824 3.307 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000352296493 434032580 /nfs/dbraw/zinc/03/25/80/434032580.db2.gz FELGUJRQCXPBIW-BFYDXBDKSA-N 1 0 317.433 3.432 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC[NH+]1CCCCC1 ZINC000450257152 434062601 /nfs/dbraw/zinc/06/26/01/434062601.db2.gz KDTKUHIHVURVAH-UHFFFAOYSA-N 1 0 300.362 3.041 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000357552075 434076047 /nfs/dbraw/zinc/07/60/47/434076047.db2.gz JZYWHUZWROYFPM-KGLIPLIRSA-N 1 0 319.405 3.495 20 5 DGBDRO CSC1(CNc2cc(C)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357579397 434083778 /nfs/dbraw/zinc/08/37/78/434083778.db2.gz JTBXIFSWGLLJON-UHFFFAOYSA-N 1 0 309.435 3.143 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[N@H+]1CC=CCC1 ZINC000357663791 434121797 /nfs/dbraw/zinc/12/17/97/434121797.db2.gz RVVJAWJFNOEOFX-UHFFFAOYSA-N 1 0 315.295 3.287 20 5 DGBDRO CCCC[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000505907377 294259031 /nfs/dbraw/zinc/25/90/31/294259031.db2.gz MQNCHVVMMZUVLQ-UHFFFAOYSA-N 1 0 318.373 3.449 20 5 DGBDRO COc1cc(NC[C@H](CC(C)C)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000508251432 294320910 /nfs/dbraw/zinc/32/09/10/294320910.db2.gz ZEERYHCRXJHSGG-NSHDSACASA-N 1 0 313.373 3.131 20 5 DGBDRO Cc1ccsc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000510519565 294385143 /nfs/dbraw/zinc/38/51/43/294385143.db2.gz UMFNBABREDYBEG-UHFFFAOYSA-N 1 0 317.414 3.287 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)[NH+](C)C ZINC000353439384 434133579 /nfs/dbraw/zinc/13/35/79/434133579.db2.gz NENNMDCNYJTCRA-HNNXBMFYSA-N 1 0 319.361 3.049 20 5 DGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C1(C(=O)OC)CCC1 ZINC000357698044 434134857 /nfs/dbraw/zinc/13/48/57/434134857.db2.gz OMIUDTRNJNOBBW-HNNXBMFYSA-N 1 0 320.389 3.115 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000340452525 434138013 /nfs/dbraw/zinc/13/80/13/434138013.db2.gz STSLNQAXMQCUTQ-NEPJUHHUSA-N 1 0 301.346 3.416 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000314969931 434152270 /nfs/dbraw/zinc/15/22/70/434152270.db2.gz NVABXFLCQLCOFM-LBPRGKRZSA-N 1 0 304.321 3.464 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000378493780 434200232 /nfs/dbraw/zinc/20/02/32/434200232.db2.gz IXWYQNQJROIVPV-KKUMJFAQSA-N 1 0 304.390 3.323 20 5 DGBDRO C[C@H](CCO)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000295105850 434202844 /nfs/dbraw/zinc/20/28/44/434202844.db2.gz LASHOKSKSXUHPI-ZDUSSCGKSA-N 1 0 318.373 3.353 20 5 DGBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000514910515 294525963 /nfs/dbraw/zinc/52/59/63/294525963.db2.gz ZEDVIMNBOZULRW-PWXKEOIMSA-N 1 0 304.390 3.073 20 5 DGBDRO CC1(C)CC(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000515163844 294542800 /nfs/dbraw/zinc/54/28/00/294542800.db2.gz PQVFUXHUBIYNKJ-UONOGXRCSA-N 1 0 306.410 3.301 20 5 DGBDRO Cc1ccc(CN2CC[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000353591696 434258015 /nfs/dbraw/zinc/25/80/15/434258015.db2.gz YGCUTKGKQGLCJL-UHFFFAOYSA-N 1 0 311.385 3.355 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCc2cn[nH]c2)c2ccccc2)c1 ZINC000353616248 434276677 /nfs/dbraw/zinc/27/66/77/434276677.db2.gz ZRVXYAKMZGICII-SFHVURJKSA-N 1 0 322.368 3.240 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])cc1F ZINC000364079077 434226684 /nfs/dbraw/zinc/22/66/84/434226684.db2.gz JITRDHNNMFTXLO-NSHDSACASA-N 1 0 320.320 3.325 20 5 DGBDRO Cc1c(C[NH2+]Cc2cc3ccccc3[nH]c2=O)cccc1[N+](=O)[O-] ZINC000326182153 434279965 /nfs/dbraw/zinc/27/99/65/434279965.db2.gz JTTITZIFIKYANX-UHFFFAOYSA-N 1 0 323.352 3.447 20 5 DGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000286669470 434282115 /nfs/dbraw/zinc/28/21/15/434282115.db2.gz BJZKUQJVSSCMEY-UHFFFAOYSA-N 1 0 314.332 3.483 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423209641 434284712 /nfs/dbraw/zinc/28/47/12/434284712.db2.gz IZTCIOUZNASTLE-ZIAGYGMSSA-N 1 0 323.462 3.055 20 5 DGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000517128962 294657090 /nfs/dbraw/zinc/65/70/90/294657090.db2.gz CGQVLNWEIOECRM-AWEZNQCLSA-N 1 0 319.405 3.482 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000287258692 434317530 /nfs/dbraw/zinc/31/75/30/434317530.db2.gz KRKGJEJSDXEDHW-LBPRGKRZSA-N 1 0 309.797 3.170 20 5 DGBDRO CCOc1ccc([C@H](C)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000423258961 434317826 /nfs/dbraw/zinc/31/78/26/434317826.db2.gz CRRSSGOTKXWWLT-JSGCOSHPSA-N 1 0 309.410 3.018 20 5 DGBDRO Cc1c([C@@H](C)N[C@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000423261115 434319563 /nfs/dbraw/zinc/31/95/63/434319563.db2.gz JBRLDCMBIMZVMB-CZUORRHYSA-N 1 0 305.422 3.461 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000517285107 294667607 /nfs/dbraw/zinc/66/76/07/294667607.db2.gz VDDDYYZJTDFFSQ-RISCZKNCSA-N 1 0 307.394 3.336 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348520024 434369091 /nfs/dbraw/zinc/36/90/91/434369091.db2.gz HLAKQQMEYKFKAY-ZYHUDNBSSA-N 1 0 320.723 3.498 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000390973995 434373441 /nfs/dbraw/zinc/37/34/41/434373441.db2.gz SJRRKYAIWHHSBP-NSHDSACASA-N 1 0 300.305 3.128 20 5 DGBDRO CCCC[C@H](C[NH3+])N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423300189 434347787 /nfs/dbraw/zinc/34/77/87/434347787.db2.gz RBJCTCZLXBUGLT-TZMCWYRMSA-N 1 0 309.410 3.162 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000358151253 434351600 /nfs/dbraw/zinc/35/16/00/434351600.db2.gz CSWXBCJHIAGTJZ-MLGOLLRUSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@](O)(C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417318228 434353459 /nfs/dbraw/zinc/35/34/59/434353459.db2.gz YHTRFIAFQMAHNC-SJORKVTESA-N 1 0 304.390 3.113 20 5 DGBDRO C[C@@H]1C[C@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397394403 434436530 /nfs/dbraw/zinc/43/65/30/434436530.db2.gz KVORESXMKBAGDW-NTZNESFSSA-N 1 0 311.813 3.053 20 5 DGBDRO Cc1cc(NCc2cnc(C3CC3)o2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450912376 434478101 /nfs/dbraw/zinc/47/81/01/434478101.db2.gz LINJPLLHDVDREC-UHFFFAOYSA-N 1 0 324.340 3.351 20 5 DGBDRO CCC1(CC)CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438496375 434493488 /nfs/dbraw/zinc/49/34/88/434493488.db2.gz AUUXYXOATICMBR-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO CC(=O)c1ccc(NCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000450952877 434504225 /nfs/dbraw/zinc/50/42/25/434504225.db2.gz VXEFQRKMPQGHAG-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO CC1(C)CN(C(=O)c2cc3ccccc3c3cccnc23)CC[NH2+]1 ZINC000423704264 434515400 /nfs/dbraw/zinc/51/54/00/434515400.db2.gz DNGAEQIGNSLORN-UHFFFAOYSA-N 1 0 319.408 3.212 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000408086283 434541527 /nfs/dbraw/zinc/54/15/27/434541527.db2.gz HSSWDHDBHMRQCH-KFWWJZLASA-N 1 0 318.421 3.140 20 5 DGBDRO [NH3+]CCN(Cc1ccsc1Cl)c1ccccc1[N+](=O)[O-] ZINC000348896375 434544818 /nfs/dbraw/zinc/54/48/18/434544818.db2.gz UDVDYIAHNOTOSF-UHFFFAOYSA-N 1 0 311.794 3.275 20 5 DGBDRO Cc1cnc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000408241115 434553480 /nfs/dbraw/zinc/55/34/80/434553480.db2.gz SQWHBIIZNBAHQX-KFWWJZLASA-N 1 0 318.421 3.140 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000525409137 295014360 /nfs/dbraw/zinc/01/43/60/295014360.db2.gz PJDZVFIBZOVMMV-CVEARBPZSA-N 1 0 322.405 3.109 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCc3c(F)ccc(F)c3C2)cc1 ZINC000354017606 434579394 /nfs/dbraw/zinc/57/93/94/434579394.db2.gz LOTMVIIDCPONJY-UHFFFAOYSA-N 1 0 304.296 3.431 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000459605186 434626333 /nfs/dbraw/zinc/62/63/33/434626333.db2.gz CSRKFYMGKRKUIR-GUYCJALGSA-N 1 0 319.405 3.400 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000459617590 434633159 /nfs/dbraw/zinc/63/31/59/434633159.db2.gz RDMSUNFSKYGPGW-DYVFJYSZSA-N 1 0 319.405 3.400 20 5 DGBDRO COCC1(C)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000459618027 434634056 /nfs/dbraw/zinc/63/40/56/434634056.db2.gz AHWGFSUQMLMYPG-UHFFFAOYSA-N 1 0 316.357 3.323 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C(C)C ZINC000349211510 434639694 /nfs/dbraw/zinc/63/96/94/434639694.db2.gz YEKPBABBTHHGIV-STQMWFEESA-N 1 0 312.435 3.072 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459544520 434599015 /nfs/dbraw/zinc/59/90/15/434599015.db2.gz QOPWPMDJIURTKE-MRXNPFEDSA-N 1 0 324.396 3.401 20 5 DGBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000349245956 434649665 /nfs/dbraw/zinc/64/96/65/434649665.db2.gz IWYOEKGWFSDMCY-VNHYZAJKSA-N 1 0 321.421 3.127 20 5 DGBDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000424189757 434653792 /nfs/dbraw/zinc/65/37/92/434653792.db2.gz NUCPNOPEQFXTCT-UHFFFAOYSA-N 1 0 322.405 3.442 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000360640172 434657457 /nfs/dbraw/zinc/65/74/57/434657457.db2.gz XCCUKOAPWKDVAZ-UHFFFAOYSA-N 1 0 320.780 3.282 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000360668460 434662468 /nfs/dbraw/zinc/66/24/68/434662468.db2.gz HUPXVWWQMAMMRV-ZIAGYGMSSA-N 1 0 320.437 3.468 20 5 DGBDRO Cc1ccc(C[NH2+]CCSCC(F)(F)F)cc1[N+](=O)[O-] ZINC000354281852 434703059 /nfs/dbraw/zinc/70/30/59/434703059.db2.gz LYPHMEKATFOCKO-UHFFFAOYSA-N 1 0 308.325 3.288 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459775668 434711991 /nfs/dbraw/zinc/71/19/91/434711991.db2.gz JXOFZXILPTYGBF-INWMFGNUSA-N 1 0 317.389 3.010 20 5 DGBDRO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411162759 434737088 /nfs/dbraw/zinc/73/70/88/434737088.db2.gz DIEWEMVKKKQTCX-ZDUSSCGKSA-N 1 0 307.394 3.352 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c(Cl)c1 ZINC000371704946 434737809 /nfs/dbraw/zinc/73/78/09/434737809.db2.gz YYEKBSZMEPOFBJ-ZDUSSCGKSA-N 1 0 324.808 3.497 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[N@@H+]1CCCC[C@H]1C ZINC000360961757 434744688 /nfs/dbraw/zinc/74/46/88/434744688.db2.gz UBTUMNSBGDAJRE-CYBMUJFWSA-N 1 0 323.441 3.186 20 5 DGBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]2O1 ZINC000440955110 434757375 /nfs/dbraw/zinc/75/73/75/434757375.db2.gz GBOJGZIDAPSUDV-CZUORRHYSA-N 1 0 320.389 3.006 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(OC2CCC2)CC1 ZINC000419290787 434763240 /nfs/dbraw/zinc/76/32/40/434763240.db2.gz VXQDGFKYXXNUJO-UHFFFAOYSA-N 1 0 320.389 3.007 20 5 DGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411556365 434800731 /nfs/dbraw/zinc/80/07/31/434800731.db2.gz OSMRQAHYPMUNMG-WFASDCNBSA-N 1 0 305.378 3.044 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCC3(O)CCC3)C2)cc1 ZINC000411795649 434831214 /nfs/dbraw/zinc/83/12/14/434831214.db2.gz VFGOCTMMEPTZBR-HNNXBMFYSA-N 1 0 304.390 3.079 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411864311 434836554 /nfs/dbraw/zinc/83/65/54/434836554.db2.gz DLJJUYXEPQGJHJ-UHFFFAOYSA-N 1 0 306.431 3.499 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCCC(C)(C)C1 ZINC000446071351 434847273 /nfs/dbraw/zinc/84/72/73/434847273.db2.gz MNUYVMBNGGEUMY-CYBMUJFWSA-N 1 0 319.405 3.434 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000372739107 434850444 /nfs/dbraw/zinc/85/04/44/434850444.db2.gz IGAGLAUNNHVKCF-AWEZNQCLSA-N 1 0 314.389 3.088 20 5 DGBDRO CCOc1cc(C[NH2+][C@H](C)C2(OC)CCC2)ccc1[N+](=O)[O-] ZINC000412019012 434855384 /nfs/dbraw/zinc/85/53/84/434855384.db2.gz DCKFLWBDXNKKOO-GFCCVEGCSA-N 1 0 308.378 3.041 20 5 DGBDRO Cc1ccnc(NCCOc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000553387009 434889566 /nfs/dbraw/zinc/88/95/66/434889566.db2.gz NSJBBQXIWURTAX-UHFFFAOYSA-N 1 0 307.737 3.443 20 5 DGBDRO C[C@@H](CN1CCCCC1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573696996 434919373 /nfs/dbraw/zinc/91/93/73/434919373.db2.gz OPYGPMQFSLPVLL-BBRMVZONSA-N 1 0 303.406 3.046 20 5 DGBDRO COc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccc1C ZINC000573910064 434936003 /nfs/dbraw/zinc/93/60/03/434936003.db2.gz PZDIASYPEIMJOJ-UHFFFAOYSA-N 1 0 316.357 3.080 20 5 DGBDRO COc1cc(NCC2([NH+](C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000462922182 434936943 /nfs/dbraw/zinc/93/69/43/434936943.db2.gz BNCKMPKBACHYCT-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO COCc1nc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000492228867 434939709 /nfs/dbraw/zinc/93/97/09/434939709.db2.gz ZTYGIKXTSXTNRU-UHFFFAOYSA-N 1 0 321.402 3.223 20 5 DGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463028262 434940694 /nfs/dbraw/zinc/94/06/94/434940694.db2.gz MGHUBOORUPJSLK-HZPDHXFCSA-N 1 0 322.405 3.155 20 5 DGBDRO CC(C)O[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000463032581 434941240 /nfs/dbraw/zinc/94/12/40/434941240.db2.gz YTDIEPNCFBWXAC-HOTGVXAUSA-N 1 0 306.406 3.319 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000574100570 434951985 /nfs/dbraw/zinc/95/19/85/434951985.db2.gz UGXGLTRGMJAKIG-PNBKFKSVSA-N 1 0 302.374 3.129 20 5 DGBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)(C)C ZINC000463369399 434955032 /nfs/dbraw/zinc/95/50/32/434955032.db2.gz QZFNFZLJURCCCA-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574219961 434960788 /nfs/dbraw/zinc/96/07/88/434960788.db2.gz YFOUUNOJWYOQKU-CJNGLKHVSA-N 1 0 305.422 3.292 20 5 DGBDRO CCOc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000465052438 435018245 /nfs/dbraw/zinc/01/82/45/435018245.db2.gz ZIMWNNPQSPRPGA-CQSZACIVSA-N 1 0 321.421 3.383 20 5 DGBDRO C[C@@H]1CC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C[NH2+]1 ZINC000638644325 435064745 /nfs/dbraw/zinc/06/47/45/435064745.db2.gz PMZWVLMLFCTHJY-UKRRQHHQSA-N 1 0 319.408 3.258 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000557272258 435049666 /nfs/dbraw/zinc/04/96/66/435049666.db2.gz JWCWFZVZBLQSBU-BBRMVZONSA-N 1 0 306.406 3.495 20 5 DGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000466928548 435100825 /nfs/dbraw/zinc/10/08/25/435100825.db2.gz FIRGWNVBWITAKU-YPMHNXCESA-N 1 0 316.361 3.265 20 5 DGBDRO CC(C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000467169887 435110821 /nfs/dbraw/zinc/11/08/21/435110821.db2.gz FCKSHGRTVFPNAB-ZIAGYGMSSA-N 1 0 319.405 3.290 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N(C)C)CCCC1 ZINC000468621889 435127841 /nfs/dbraw/zinc/12/78/41/435127841.db2.gz PHSCIVPTZYXKFJ-RVDMUPIBSA-N 1 0 317.433 3.462 20 5 DGBDRO CCOc1cc(N2CC[NH+](CCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000475498732 435199365 /nfs/dbraw/zinc/19/93/65/435199365.db2.gz PTHOHIHNSSXSKF-UHFFFAOYSA-N 1 0 321.421 3.162 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000532927372 435199930 /nfs/dbraw/zinc/19/99/30/435199930.db2.gz DMYOGLUZAWPIAX-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000475566207 435202362 /nfs/dbraw/zinc/20/23/62/435202362.db2.gz NXMZFWLNWVDAEU-RDBSUJKOSA-N 1 0 319.405 3.338 20 5 DGBDRO CCC[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240063 435150920 /nfs/dbraw/zinc/15/09/20/435150920.db2.gz GNVDNJUIJYJBFP-RHSMWYFYSA-N 1 0 305.422 3.367 20 5 DGBDRO COCC1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000579373965 435151392 /nfs/dbraw/zinc/15/13/92/435151392.db2.gz JODGFKSKUCZTFQ-ZUEPYMLJSA-N 1 0 304.390 3.377 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000493332963 435151530 /nfs/dbraw/zinc/15/15/30/435151530.db2.gz DONHXGNXGNEXCE-RISCZKNCSA-N 1 0 310.781 3.249 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000579408745 435153382 /nfs/dbraw/zinc/15/33/82/435153382.db2.gz OTSLHWHFPZUPIU-ZFWWWQNUSA-N 1 0 306.406 3.311 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)cn1 ZINC000560487348 435172089 /nfs/dbraw/zinc/17/20/89/435172089.db2.gz ZLJBTVZEPNZRRW-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO Cc1cc(NCC2CC[NH2+]CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000561264824 435208480 /nfs/dbraw/zinc/20/84/80/435208480.db2.gz YNDZROXOQVSJOF-UHFFFAOYSA-N 1 0 317.311 3.334 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC(C)(C)CC1 ZINC000533439422 435237759 /nfs/dbraw/zinc/23/77/59/435237759.db2.gz NXAWLFLUYREULL-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO CCc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000583899370 435254596 /nfs/dbraw/zinc/25/45/96/435254596.db2.gz MUUNMEGPIQYPSA-UHFFFAOYSA-N 1 0 305.403 3.184 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000477245089 435265197 /nfs/dbraw/zinc/26/51/97/435265197.db2.gz WLGOHUVSLLQETE-INIZCTEOSA-N 1 0 312.369 3.463 20 5 DGBDRO CCOc1cc(N[C@@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000511370260 435321632 /nfs/dbraw/zinc/32/16/32/435321632.db2.gz RLIUESZBODPGRG-LBPRGKRZSA-N 1 0 305.378 3.056 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000480055465 435364995 /nfs/dbraw/zinc/36/49/95/435364995.db2.gz BNNMZRHATRLPLV-KGLIPLIRSA-N 1 0 319.405 3.472 20 5 DGBDRO CCC(=O)c1ccc(NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000479922660 435359487 /nfs/dbraw/zinc/35/94/87/435359487.db2.gz HXYOWVKFIKJNSY-UHFFFAOYSA-N 1 0 319.405 3.475 20 5 DGBDRO CN(C)c1ccccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072683 435312824 /nfs/dbraw/zinc/31/28/24/435312824.db2.gz LQIGTXPTKAYCEL-UHFFFAOYSA-N 1 0 313.401 3.335 20 5 DGBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000481108475 435411518 /nfs/dbraw/zinc/41/15/18/435411518.db2.gz LQYWEVNXUMKVHK-OLZOCXBDSA-N 1 0 319.405 3.338 20 5 DGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000537095192 435423343 /nfs/dbraw/zinc/42/33/43/435423343.db2.gz NUZVUNFJZQFEHW-XYJFISCASA-N 1 0 318.417 3.321 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1O ZINC000480752473 435394151 /nfs/dbraw/zinc/39/41/51/435394151.db2.gz YEYHLHOQLSXXDL-GZBFAFLISA-N 1 0 324.446 3.359 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000536661693 435398755 /nfs/dbraw/zinc/39/87/55/435398755.db2.gz CHKHWZLIBYVXMZ-VHSXEESVSA-N 1 0 300.305 3.427 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515311503 435473321 /nfs/dbraw/zinc/47/33/21/435473321.db2.gz MFYWOWBZCOAJSP-XJKSGUPXSA-N 1 0 303.406 3.046 20 5 DGBDRO C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023785 435512405 /nfs/dbraw/zinc/51/24/05/435512405.db2.gz AHCRXIFDEIKCGJ-KDOFPFPSSA-N 1 0 317.433 3.294 20 5 DGBDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000569222326 435513533 /nfs/dbraw/zinc/51/35/33/435513533.db2.gz WLUJVHHXOKRDGL-GJZGRUSLSA-N 1 0 307.438 3.234 20 5 DGBDRO CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000569276413 435518320 /nfs/dbraw/zinc/51/83/20/435518320.db2.gz GMXUGBAWCMLPDN-CYBMUJFWSA-N 1 0 307.394 3.352 20 5 DGBDRO C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530392 435534770 /nfs/dbraw/zinc/53/47/70/435534770.db2.gz XBCXDWYUUSKCNC-CXAGYDPISA-N 1 0 317.433 3.249 20 5 DGBDRO CCCC[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000568936478 435484897 /nfs/dbraw/zinc/48/48/97/435484897.db2.gz DBJCOZSMYNLKIL-UHFFFAOYSA-N 1 0 322.409 3.011 20 5 DGBDRO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000540043841 435584214 /nfs/dbraw/zinc/58/42/14/435584214.db2.gz IGYZZZYJTPWTOY-AWEZNQCLSA-N 1 0 304.390 3.486 20 5 DGBDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000518139691 435625033 /nfs/dbraw/zinc/62/50/33/435625033.db2.gz UKCFHJWWAOQKDF-ARFHVFGLSA-N 1 0 304.390 3.111 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCOC[C@@H]1C1CCC1 ZINC000570680393 435640757 /nfs/dbraw/zinc/64/07/57/435640757.db2.gz VWIFIUCRUUXQGD-OAHLLOKOSA-N 1 0 310.781 3.249 20 5 DGBDRO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000550895957 435813601 /nfs/dbraw/zinc/81/36/01/435813601.db2.gz ZGFBZLRDYJUKDL-QGPMSJSTSA-N 1 0 318.417 3.321 20 5 DGBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000572420158 435823312 /nfs/dbraw/zinc/82/33/12/435823312.db2.gz NOILVXFTIOVVMZ-OCCSQVGLSA-N 1 0 315.373 3.166 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCCSC1)C1CC1 ZINC000159530309 304807662 /nfs/dbraw/zinc/80/76/62/304807662.db2.gz RKQPQPOWYGXPDH-GJZGRUSLSA-N 1 0 306.431 3.401 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(O)CCCCC1)C1CC1 ZINC000134029962 312681801 /nfs/dbraw/zinc/68/18/01/312681801.db2.gz IUKQSLBPTWDWGI-INIZCTEOSA-N 1 0 318.417 3.201 20 5 DGBDRO C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173366064 312756241 /nfs/dbraw/zinc/75/62/41/312756241.db2.gz ZPSQTAPJGFUESI-NSHDSACASA-N 1 0 317.320 3.023 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000377086711 313014448 /nfs/dbraw/zinc/01/44/48/313014448.db2.gz OUSYNRAZYKQPRB-KGLIPLIRSA-N 1 0 317.389 3.226 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000377086712 313014717 /nfs/dbraw/zinc/01/47/17/313014717.db2.gz OUSYNRAZYKQPRB-UONOGXRCSA-N 1 0 317.389 3.226 20 5 DGBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532216740 313528697 /nfs/dbraw/zinc/52/86/97/313528697.db2.gz CANIMBBILJUCHI-NEPJUHHUSA-N 1 0 302.378 3.357 20 5 DGBDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539500848 313916370 /nfs/dbraw/zinc/91/63/70/313916370.db2.gz BQSCCYDXPZDEFN-QGZVFWFLSA-N 1 0 318.373 3.496 20 5 DGBDRO C[C@H]([NH2+]C1(C2CC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000541596650 314027296 /nfs/dbraw/zinc/02/72/96/314027296.db2.gz CLMNNGNEPTVJBD-VIFPVBQESA-N 1 0 323.780 3.107 20 5 DGBDRO COC[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000543453413 314135562 /nfs/dbraw/zinc/13/55/62/314135562.db2.gz MGOHRXVLEHFRCF-OAHLLOKOSA-N 1 0 319.361 3.010 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000544188350 314179829 /nfs/dbraw/zinc/17/98/29/314179829.db2.gz YRIFKYCPKAHWLF-QWHCGFSZSA-N 1 0 319.405 3.290 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000552356381 314612784 /nfs/dbraw/zinc/61/27/84/314612784.db2.gz QHUUGJLMNDXUQB-KSSFIOAISA-N 1 0 320.433 3.447 20 5 DGBDRO CCCC[N@H+](CCCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000562902106 315060331 /nfs/dbraw/zinc/06/03/31/315060331.db2.gz NEFXRYZKKYRMBT-QINSGFPZSA-N 1 0 306.406 3.483 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000562908411 315060693 /nfs/dbraw/zinc/06/06/93/315060693.db2.gz UIVSLXAQOXNAIR-GFCCVEGCSA-N 1 0 322.409 3.145 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000563704379 315132751 /nfs/dbraw/zinc/13/27/51/315132751.db2.gz YKLYEBXNDICSDW-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO CC1CC[NH+](CCCN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565219411 315243225 /nfs/dbraw/zinc/24/32/25/315243225.db2.gz VDMZKNGOXQVBFU-KRWDZBQOSA-N 1 0 317.433 3.294 20 5 DGBDRO CC1(C)[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000565434721 315261860 /nfs/dbraw/zinc/26/18/60/315261860.db2.gz VRJJYLCFNWGWEF-ABFRBSLYSA-N 1 0 316.401 3.375 20 5 DGBDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565476561 315264350 /nfs/dbraw/zinc/26/43/50/315264350.db2.gz KWHNCYOYJGQJAN-GDBMZVCRSA-N 1 0 322.405 3.059 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000568835887 315539028 /nfs/dbraw/zinc/53/90/28/315539028.db2.gz QJFSCQWHIQZDMS-ZDUSSCGKSA-N 1 0 310.357 3.402 20 5 DGBDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571197878 315703753 /nfs/dbraw/zinc/70/37/53/315703753.db2.gz ANEMWGARFHOIKK-DOTOQJQBSA-N 1 0 319.405 3.338 20 5 DGBDRO [NH3+][C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000575988795 316083489 /nfs/dbraw/zinc/08/34/89/316083489.db2.gz ZNZKLFNMGLXJGQ-MGEGMALFSA-N 1 0 323.396 3.035 20 5 DGBDRO COc1ncccc1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000579295012 323847674 /nfs/dbraw/zinc/84/76/74/323847674.db2.gz GFKMQOHHAVRBEX-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000579613717 323894640 /nfs/dbraw/zinc/89/46/40/323894640.db2.gz AGCNZRJXXQFCIL-JKSUJKDBSA-N 1 0 316.332 3.044 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNc1ccccn1 ZINC000532517046 500979849 /nfs/dbraw/zinc/97/98/49/500979849.db2.gz UGSDALYKPJIONC-CYBMUJFWSA-N 1 0 300.362 3.061 20 5 DGBDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000433036851 533793588 /nfs/dbraw/zinc/79/35/88/533793588.db2.gz ZNLGTRPFZNNXQL-WCQYABFASA-N 1 0 308.378 3.232 20 5 DGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413092660 533823858 /nfs/dbraw/zinc/82/38/58/533823858.db2.gz MJHDJPCTMKXDEA-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000331023118 533899684 /nfs/dbraw/zinc/89/96/84/533899684.db2.gz ZUMCYHKZGKEFAV-LBPRGKRZSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@@H+]1C ZINC000316806992 533968184 /nfs/dbraw/zinc/96/81/84/533968184.db2.gz PKSGLUFXEBEDIE-VXGBXAGGSA-N 1 0 300.362 3.038 20 5 DGBDRO Cc1ccc(-c2noc(C[NH+]3[C@H](C)CC[C@H]3C)n2)cc1[N+](=O)[O-] ZINC000443207108 534232580 /nfs/dbraw/zinc/23/25/80/534232580.db2.gz YOILXIHGQPQMJH-VXGBXAGGSA-N 1 0 316.361 3.326 20 5 DGBDRO CCCCOCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000389067134 517563835 /nfs/dbraw/zinc/56/38/35/517563835.db2.gz LMYCYLXEIYEMPD-UHFFFAOYSA-N 1 0 303.362 3.102 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443637811 534340065 /nfs/dbraw/zinc/34/00/65/534340065.db2.gz CEFSXULYWALEBC-CHWSQXEVSA-N 1 0 319.405 3.210 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429290535 534349656 /nfs/dbraw/zinc/34/96/56/534349656.db2.gz DGYUOTZILWPUGT-JSGCOSHPSA-N 1 0 312.369 3.427 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1[N+](=O)[O-] ZINC000154414567 519835932 /nfs/dbraw/zinc/83/59/32/519835932.db2.gz PDCSEWZKXMMYDR-MRXNPFEDSA-N 1 0 306.406 3.454 20 5 DGBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000420278384 534573407 /nfs/dbraw/zinc/57/34/07/534573407.db2.gz JFWUZVQFMHBIJH-FVGKDHOHSA-N 1 0 312.373 3.071 20 5 DGBDRO Cc1cccc(C)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332453130 534664379 /nfs/dbraw/zinc/66/43/79/534664379.db2.gz MSVDEIJNZAWRNW-UHFFFAOYSA-N 1 0 314.389 3.245 20 5 DGBDRO Cc1[nH+]c2ccccc2c(NCCn2cc([N+](=O)[O-])cn2)c1C ZINC000302081415 534671224 /nfs/dbraw/zinc/67/12/24/534671224.db2.gz LMVILOXRHMZNJU-UHFFFAOYSA-N 1 0 311.345 3.068 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3CCO)o2)cc1 ZINC000428489131 534881186 /nfs/dbraw/zinc/88/11/86/534881186.db2.gz UTQSBHQFLXXAOU-CQSZACIVSA-N 1 0 316.357 3.202 20 5 DGBDRO Cc1noc([C@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000266520893 526669623 /nfs/dbraw/zinc/66/96/23/526669623.db2.gz IJAWPLVVCBZXKY-YPMHNXCESA-N 1 0 316.361 3.227 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CC2([S@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000435746098 528100079 /nfs/dbraw/zinc/10/00/79/528100079.db2.gz TVNOONZUUKAXHO-QFIPXVFZSA-N 1 0 324.446 3.109 20 5 DGBDRO CC1=CC[N@H+](CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000302182585 528120285 /nfs/dbraw/zinc/12/02/85/528120285.db2.gz ZGSOPZWHJJMVDC-UHFFFAOYSA-N 1 0 312.373 3.207 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413063332 528254073 /nfs/dbraw/zinc/25/40/73/528254073.db2.gz APDQFTOCUCGWKM-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CCC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000295907140 528456981 /nfs/dbraw/zinc/45/69/81/528456981.db2.gz FMXYMKFRRCKHFM-AGUYFDCRSA-N 1 0 317.389 3.225 20 5 DGBDRO CCOc1ccc([C@@H](C)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000423258962 528598568 /nfs/dbraw/zinc/59/85/68/528598568.db2.gz CRRSSGOTKXWWLT-OCCSQVGLSA-N 1 0 309.410 3.018 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000305724187 528606710 /nfs/dbraw/zinc/60/67/10/528606710.db2.gz FOQQEHVKNTZPCX-YDHLFZDLSA-N 1 0 322.405 3.195 20 5 DGBDRO CCOC(=O)C1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295602438 528627658 /nfs/dbraw/zinc/62/76/58/528627658.db2.gz CZXCHVFNZSPATG-GRTSSRMGSA-N 1 0 320.389 3.367 20 5 DGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000314441703 529082557 /nfs/dbraw/zinc/08/25/57/529082557.db2.gz IFAXAOXNYWYAKH-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000421890616 529204944 /nfs/dbraw/zinc/20/49/44/529204944.db2.gz YBGRIBOABYRQJM-CZUORRHYSA-N 1 0 322.405 3.220 20 5 DGBDRO CC[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000441395069 529298608 /nfs/dbraw/zinc/29/86/08/529298608.db2.gz NCOJGNWPMBOBCY-CQSZACIVSA-N 1 0 322.405 3.494 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429768182 529312369 /nfs/dbraw/zinc/31/23/69/529312369.db2.gz ADTSEEKJRLXNEL-JMSVASOKSA-N 1 0 305.378 3.090 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000318984016 529344160 /nfs/dbraw/zinc/34/41/60/529344160.db2.gz KHJVWOUKBHDRSJ-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413312452 529356555 /nfs/dbraw/zinc/35/65/55/529356555.db2.gz GGUVAXAORIPQLE-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO CC(C)(CO)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449409715 535166454 /nfs/dbraw/zinc/16/64/54/535166454.db2.gz VLMMUSXGHKQTIY-UHFFFAOYSA-N 1 0 318.373 3.353 20 5 DGBDRO CC/C=C\C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449449911 535258936 /nfs/dbraw/zinc/25/89/36/535258936.db2.gz AFZZLTNRAWVUQZ-PLNGDYQASA-N 1 0 300.362 3.051 20 5 DGBDRO CCOc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000469091192 535686764 /nfs/dbraw/zinc/68/67/64/535686764.db2.gz XWGAQBNFVNFCAK-GFCCVEGCSA-N 1 0 309.410 3.382 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000490069738 536772740 /nfs/dbraw/zinc/77/27/40/536772740.db2.gz YDERQVVLIKQLBP-INIZCTEOSA-N 1 0 312.369 3.420 20 5 DGBDRO COCC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000449229533 536818476 /nfs/dbraw/zinc/81/84/76/536818476.db2.gz BUQNPRDHSXFVKR-HIFRSBDPSA-N 1 0 318.373 3.486 20 5 DGBDRO COc1ccc(C[NH2+]CCc2cc(C)ccc2F)cc1[N+](=O)[O-] ZINC000449551348 536892291 /nfs/dbraw/zinc/89/22/91/536892291.db2.gz FVCPDHSLDOUTGY-UHFFFAOYSA-N 1 0 318.348 3.383 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000275590553 546366089 /nfs/dbraw/zinc/36/60/89/546366089.db2.gz FJHHQPOOSACDEC-CABCVRRESA-N 1 0 319.408 3.388 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000731210062 574545191 /nfs/dbraw/zinc/54/51/91/574545191.db2.gz LXAXCXZUMBVJCP-NSHDSACASA-N 1 0 320.418 3.171 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)sc2c1 ZINC000731206700 574545309 /nfs/dbraw/zinc/54/53/09/574545309.db2.gz PDMBAYJCPORCGG-MNOVXSKESA-N 1 0 318.402 3.243 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000731678744 574556797 /nfs/dbraw/zinc/55/67/97/574556797.db2.gz PAVUJNWBDKGWIZ-KRWDZBQOSA-N 1 0 300.358 3.035 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000732917843 574587537 /nfs/dbraw/zinc/58/75/37/574587537.db2.gz PPUMVBLRENANHI-MGPLVRAMSA-N 1 0 322.311 3.257 20 5 DGBDRO CC(C)(C)C[N@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735492515 574704166 /nfs/dbraw/zinc/70/41/66/574704166.db2.gz IFTFMRSNSHOOSX-UHFFFAOYSA-N 1 0 314.813 3.479 20 5 DGBDRO C[C@@H]([N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C(C)(C)C ZINC000742145339 574982158 /nfs/dbraw/zinc/98/21/58/574982158.db2.gz RARCGFFIZKHRBQ-GFCCVEGCSA-N 1 0 317.393 3.177 20 5 DGBDRO C[Si](C)(C)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743862463 575066295 /nfs/dbraw/zinc/06/62/95/575066295.db2.gz DUXJLQCKGFQAQO-UHFFFAOYSA-N 1 0 308.454 3.315 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000746045547 575428472 /nfs/dbraw/zinc/42/84/72/575428472.db2.gz NWXXUAJUNSHSLU-MGPLVRAMSA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@H]([NH2+][C@H](CCO)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000746049153 575428650 /nfs/dbraw/zinc/42/86/50/575428650.db2.gz LDBDNUMUJDRVLR-SMDDNHRTSA-N 1 0 306.387 3.431 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000746654242 575466782 /nfs/dbraw/zinc/46/67/82/575466782.db2.gz IADPWJUCDBBEOH-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO C[NH+](C)CC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746665742 575467438 /nfs/dbraw/zinc/46/74/38/575467438.db2.gz DVJRTJMFKSGEIR-UHFFFAOYSA-N 1 0 311.813 3.022 20 5 DGBDRO C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)[NH+]1[C@H](C)CC[C@H]1C ZINC000746985952 575488331 /nfs/dbraw/zinc/48/83/31/575488331.db2.gz TZXOQAVMAIJJRM-UTUOFQBUSA-N 1 0 324.352 3.038 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC(c3ncc[nH]3)CC2)c(Cl)c1 ZINC000748536352 575592278 /nfs/dbraw/zinc/59/22/78/575592278.db2.gz CNCPCRFIXSTBMK-UHFFFAOYSA-N 1 0 306.753 3.355 20 5 DGBDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000749296042 575643528 /nfs/dbraw/zinc/64/35/28/575643528.db2.gz NLRATPQJXSMTQE-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000749352660 575647101 /nfs/dbraw/zinc/64/71/01/575647101.db2.gz MTHORNBWMLXJBT-INIZCTEOSA-N 1 0 318.373 3.045 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000749645187 575670475 /nfs/dbraw/zinc/67/04/75/575670475.db2.gz HMKJLAZTHQOQCQ-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO Cc1nn(C[N@@H+](CCC(C)C)C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749939802 575690655 /nfs/dbraw/zinc/69/06/55/575690655.db2.gz BQAJMMLYDULBSZ-UHFFFAOYSA-N 1 0 317.393 3.116 20 5 DGBDRO Cc1nn(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749955905 575692535 /nfs/dbraw/zinc/69/25/35/575692535.db2.gz UYVNXNKZNIJVAC-NWDGAFQWSA-N 1 0 317.393 3.116 20 5 DGBDRO CC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037542 575699298 /nfs/dbraw/zinc/69/92/98/575699298.db2.gz NQCRJBYPXAZQOB-SFHVURJKSA-N 1 0 314.385 3.459 20 5 DGBDRO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000750037888 575699486 /nfs/dbraw/zinc/69/94/86/575699486.db2.gz SIQFMDRDPJJJNT-UGSOOPFHSA-N 1 0 312.369 3.248 20 5 DGBDRO CC(C)CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750094439 575703391 /nfs/dbraw/zinc/70/33/91/575703391.db2.gz NVLXOKRRHFZJED-QGZVFWFLSA-N 1 0 306.406 3.386 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000750252419 575714737 /nfs/dbraw/zinc/71/47/37/575714737.db2.gz KGRJHUDSAZXKKK-RYUDHWBXSA-N 1 0 310.781 3.107 20 5 DGBDRO Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000751991335 575816735 /nfs/dbraw/zinc/81/67/35/575816735.db2.gz QYVLGZQAIVIZRP-ZDUSSCGKSA-N 1 0 306.387 3.096 20 5 DGBDRO O=[N+]([O-])c1cn(C[NH+]2CCCCCCC2)nc1-c1ccccn1 ZINC000853486953 620700245 /nfs/dbraw/zinc/70/02/45/620700245.db2.gz DQJIROVTTKFMBU-UHFFFAOYSA-N 1 0 315.377 3.077 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000853747944 620732792 /nfs/dbraw/zinc/73/27/92/620732792.db2.gz DCNDHJLHBWBPQG-SNVBAGLBSA-N 1 0 311.357 3.027 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccnnc1 ZINC000925464505 620748109 /nfs/dbraw/zinc/74/81/09/620748109.db2.gz DIROMWJRANOMTF-ZDUSSCGKSA-N 1 0 300.362 3.058 20 5 DGBDRO COc1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000891623152 617854719 /nfs/dbraw/zinc/85/47/19/617854719.db2.gz MHEXWVYSWJIYDC-UHFFFAOYSA-N 1 0 302.330 3.361 20 5 DGBDRO CCn1cc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1 ZINC000891622726 617855207 /nfs/dbraw/zinc/85/52/07/617855207.db2.gz IXHWTADDWIPRME-UHFFFAOYSA-N 1 0 314.389 3.284 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000892433137 618065303 /nfs/dbraw/zinc/06/53/03/618065303.db2.gz SCAMKZCQJAPXFE-NSHDSACASA-N 1 0 302.330 3.160 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000892473980 618075400 /nfs/dbraw/zinc/07/54/00/618075400.db2.gz YHTYMQLTIYCGAS-CQSZACIVSA-N 1 0 314.341 3.086 20 5 DGBDRO CCOc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000894390955 618304369 /nfs/dbraw/zinc/30/43/69/618304369.db2.gz NGNLKMXEFGUVAW-UHFFFAOYSA-N 1 0 304.346 3.261 20 5 DGBDRO COCCCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000892936378 618357929 /nfs/dbraw/zinc/35/79/29/618357929.db2.gz GZOOEYCJEYAMJD-UHFFFAOYSA-N 1 0 306.406 3.324 20 5 DGBDRO C[NH+](C)C1(C)CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000894849610 618476337 /nfs/dbraw/zinc/47/63/37/618476337.db2.gz QMSSJAREZOZNNE-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1C[C@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000893278772 618494228 /nfs/dbraw/zinc/49/42/28/618494228.db2.gz JHZZEKNARBELHL-CWSCBRNRSA-N 1 0 313.195 3.419 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000112379541 620821287 /nfs/dbraw/zinc/82/12/87/620821287.db2.gz QUAJSDWRORMLGF-HZMBPMFUSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3c2nccc3Cl)cc1 ZINC000924954189 618748298 /nfs/dbraw/zinc/74/82/98/618748298.db2.gz FXZBXBQEXKYUEN-HNNXBMFYSA-N 1 0 317.776 3.463 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cccc3c2NCCC3)c1 ZINC000894366483 618772575 /nfs/dbraw/zinc/77/25/75/618772575.db2.gz MQUZQXDVUKBTSK-UHFFFAOYSA-N 1 0 311.385 3.285 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@@]2(C)Br)cc1[N+](=O)[O-] ZINC000895833827 618839552 /nfs/dbraw/zinc/83/95/52/618839552.db2.gz PUGBRZWCGFDPJE-WCQYABFASA-N 1 0 313.195 3.166 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000895942641 618852976 /nfs/dbraw/zinc/85/29/76/618852976.db2.gz JHZZEKNARBELHL-NRUUGDAUSA-N 1 0 313.195 3.419 20 5 DGBDRO COc1cccc(NC2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000896253613 618892239 /nfs/dbraw/zinc/89/22/39/618892239.db2.gz CIBLITLWSXJWNL-UHFFFAOYSA-N 1 0 319.405 3.422 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000896511631 618919443 /nfs/dbraw/zinc/91/94/43/618919443.db2.gz IKSFEEKSQYXUKY-AQNFWKISSA-N 1 0 310.419 3.154 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000925151121 619052916 /nfs/dbraw/zinc/05/29/16/619052916.db2.gz AANDBBRKDOFUJI-MRXNPFEDSA-N 1 0 304.390 3.219 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806137938 619104532 /nfs/dbraw/zinc/10/45/32/619104532.db2.gz PNDWOMSPLZDMFQ-AWEZNQCLSA-N 1 0 317.776 3.463 20 5 DGBDRO C[C@H](C[NH2+]Cc1nnc(C2CC2)s1)c1ccccc1[N+](=O)[O-] ZINC000897461706 619130308 /nfs/dbraw/zinc/13/03/08/619130308.db2.gz VTQVMFMYGVKNLZ-SNVBAGLBSA-N 1 0 318.402 3.217 20 5 DGBDRO CC(C)c1c[nH]c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000897460260 619130356 /nfs/dbraw/zinc/13/03/56/619130356.db2.gz RQKXBWXBSJBPQF-LBPRGKRZSA-N 1 0 302.378 3.335 20 5 DGBDRO CCC1(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000897465887 619130599 /nfs/dbraw/zinc/13/05/99/619130599.db2.gz KFYNIDMEOMIBJS-CQSZACIVSA-N 1 0 306.406 3.495 20 5 DGBDRO COCC1CCC([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897463022 619130623 /nfs/dbraw/zinc/13/06/23/619130623.db2.gz AAHQVWUYWLFFCR-WLYUNCDWSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000897470130 619131819 /nfs/dbraw/zinc/13/18/19/619131819.db2.gz YRXFOZRWXUYJLX-GFCCVEGCSA-N 1 0 315.329 3.396 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)cc1Cl ZINC000897507711 619141011 /nfs/dbraw/zinc/14/10/11/619141011.db2.gz FREMQIZNJXJDFP-IUODEOHRSA-N 1 0 310.781 3.295 20 5 DGBDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000897525540 619148439 /nfs/dbraw/zinc/14/84/39/619148439.db2.gz PIYICSKISYXUPN-ZDUSSCGKSA-N 1 0 320.311 3.168 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(C3(O)CCC3)CC2)c1 ZINC000897530439 619149985 /nfs/dbraw/zinc/14/99/85/619149985.db2.gz JMPRGVMHSPBYDY-UHFFFAOYSA-N 1 0 310.781 3.033 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897539293 619152463 /nfs/dbraw/zinc/15/24/63/619152463.db2.gz XDUVGLDKROSNFG-IAQYHMDHSA-N 1 0 312.797 3.279 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1O ZINC000897684594 619173120 /nfs/dbraw/zinc/17/31/20/619173120.db2.gz SDHZUFZIHIAGMS-XHDPSFHLSA-N 1 0 318.398 3.136 20 5 DGBDRO COc1cc(C[NH2+][C@H]2CCCC3(CC3)C2)c([N+](=O)[O-])cc1OC ZINC000897772639 619178914 /nfs/dbraw/zinc/17/89/14/619178914.db2.gz AAGJFLQPDPKFRN-ZDUSSCGKSA-N 1 0 320.389 3.424 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CCO)C1CCCC1 ZINC000897882586 619191201 /nfs/dbraw/zinc/19/12/01/619191201.db2.gz NBNPWUYBAQOBSC-JKSUJKDBSA-N 1 0 304.390 3.113 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898062801 619210158 /nfs/dbraw/zinc/21/01/58/619210158.db2.gz XRGZJKACJIOHGO-WMLDXEAASA-N 1 0 316.401 3.260 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@H](O)C3CC3)o2)c1 ZINC000898206864 619221217 /nfs/dbraw/zinc/22/12/17/619221217.db2.gz XIFWFXUKAPTVNN-INIZCTEOSA-N 1 0 316.357 3.105 20 5 DGBDRO Cc1ncccc1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000898256238 619232838 /nfs/dbraw/zinc/23/28/38/619232838.db2.gz UJZUTUHUEFEGSE-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000926964628 619253836 /nfs/dbraw/zinc/25/38/36/619253836.db2.gz SSCPNHPHSBIMOC-GWCFXTLKSA-N 1 0 319.327 3.128 20 5 DGBDRO COC(=O)C1(CCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000898413329 619272378 /nfs/dbraw/zinc/27/23/78/619272378.db2.gz VBTRXILGBWIMLN-UHFFFAOYSA-N 1 0 320.389 3.198 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927159694 619303946 /nfs/dbraw/zinc/30/39/46/619303946.db2.gz QDHTXYYDISJGTG-HOCLYGCPSA-N 1 0 302.374 3.273 20 5 DGBDRO C[C@H]([NH2+]CCCON)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000902420939 619633124 /nfs/dbraw/zinc/63/31/24/619633124.db2.gz MISYNKLAYFHCOZ-NSHDSACASA-N 1 0 321.402 3.254 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)cc1[N+](=O)[O-] ZINC000902874173 619685296 /nfs/dbraw/zinc/68/52/96/619685296.db2.gz DHGSLFMTRFUSRA-FXDLJFJQSA-N 1 0 316.401 3.367 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc2C1 ZINC000902853480 619685413 /nfs/dbraw/zinc/68/54/13/619685413.db2.gz OBGUWWXBUHUMMY-CZUORRHYSA-N 1 0 312.369 3.324 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)cc([N+](=O)[O-])c1 ZINC000903058815 619707564 /nfs/dbraw/zinc/70/75/64/619707564.db2.gz UGDNIEVDACUCPE-NWDGAFQWSA-N 1 0 301.346 3.410 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cn(C)nc2C)cc([N+](=O)[O-])c1 ZINC000903090778 619714650 /nfs/dbraw/zinc/71/46/50/619714650.db2.gz HFXVWJTVBJRBBD-MNOVXSKESA-N 1 0 318.377 3.057 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)OC)cc([N+](=O)[O-])c1 ZINC000903103064 619716966 /nfs/dbraw/zinc/71/69/66/619716966.db2.gz DGFKRLLULCVPEQ-NWDGAFQWSA-N 1 0 310.394 3.458 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)Cc2ccncc2)cc([N+](=O)[O-])c1 ZINC000903107458 619717945 /nfs/dbraw/zinc/71/79/45/619717945.db2.gz VDBSUEKIBBHWSN-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccncc2)cc([N+](=O)[O-])c1 ZINC000903107459 619718029 /nfs/dbraw/zinc/71/80/29/619718029.db2.gz VDBSUEKIBBHWSN-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2c(C)noc2C)cc([N+](=O)[O-])c1 ZINC000903092217 619718871 /nfs/dbraw/zinc/71/88/71/619718871.db2.gz ISBWBSVVERPJQU-SNVBAGLBSA-N 1 0 319.361 3.102 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)cc([N+](=O)[O-])c1 ZINC000903125662 619722093 /nfs/dbraw/zinc/72/20/93/619722093.db2.gz NFDOCVUHKHWKMK-JSGCOSHPSA-N 1 0 320.389 3.356 20 5 DGBDRO CCOCCC1(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903127664 619722454 /nfs/dbraw/zinc/72/24/54/619722454.db2.gz JOQXFEWUORQZCZ-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO COCCC1(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903127496 619722494 /nfs/dbraw/zinc/72/24/94/619722494.db2.gz ZIENMZUJKYVZFF-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)cc([N+](=O)[O-])c1 ZINC000903157631 619726937 /nfs/dbraw/zinc/72/69/37/619726937.db2.gz KMGHUGMUQDIQDA-NHYWBVRUSA-N 1 0 310.394 3.050 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@H]2CCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903148030 619728766 /nfs/dbraw/zinc/72/87/66/619728766.db2.gz PDAATQYLPAEPCT-RDBSUJKOSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@](C)(OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903175136 619730182 /nfs/dbraw/zinc/73/01/82/619730182.db2.gz QFDAEYSFMKZLMK-BDJLRTHQSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C2CCC(OC)CC2)cc([N+](=O)[O-])c1 ZINC000903184802 619732078 /nfs/dbraw/zinc/73/20/78/619732078.db2.gz FFPUFCQIBDYRLR-ZOODHJKOSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903183279 619732188 /nfs/dbraw/zinc/73/21/88/619732188.db2.gz NMHZJGGAGVIHPR-QWHCGFSZSA-N 1 0 322.405 3.459 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cc(N(C)C)cc[nH+]1 ZINC000903202147 619735966 /nfs/dbraw/zinc/73/59/66/619735966.db2.gz XWKNBAQWWUOXDY-CYBMUJFWSA-N 1 0 314.389 3.215 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)OCC2CC2)cc([N+](=O)[O-])c1 ZINC000903186569 619736936 /nfs/dbraw/zinc/73/69/36/619736936.db2.gz RKIAONOHFPSJMG-GFCCVEGCSA-N 1 0 322.405 3.459 20 5 DGBDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CCO1 ZINC000903189594 619737162 /nfs/dbraw/zinc/73/71/62/619737162.db2.gz DEWVZZYCPGZEBR-OSAQELSMSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903205475 619737975 /nfs/dbraw/zinc/73/79/75/619737975.db2.gz ISHPYQPONDUNBB-OLZOCXBDSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@@H](O)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000903214539 619739660 /nfs/dbraw/zinc/73/96/60/619739660.db2.gz VWEIUFPINHDSFJ-YVEFUNNKSA-N 1 0 322.405 3.195 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc([N+](=O)[O-])c1 ZINC000903216788 619740352 /nfs/dbraw/zinc/74/03/52/619740352.db2.gz IMPMQRDDBCOTJE-SYWGBEHUSA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)cc([N+](=O)[O-])c1 ZINC000903220105 619741030 /nfs/dbraw/zinc/74/10/30/619741030.db2.gz KJKCPVLFZOJWOJ-SWLSCSKDSA-N 1 0 320.389 3.356 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000903222027 619741486 /nfs/dbraw/zinc/74/14/86/619741486.db2.gz WWRVPCFSKNWSLU-AHIWAGSCSA-N 1 0 322.405 3.459 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000903246347 619742182 /nfs/dbraw/zinc/74/21/82/619742182.db2.gz SYZKHXOQYDNQJX-OCCSQVGLSA-N 1 0 302.378 3.173 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000903246345 619742324 /nfs/dbraw/zinc/74/23/24/619742324.db2.gz SYZKHXOQYDNQJX-GXTWGEPZSA-N 1 0 302.378 3.173 20 5 DGBDRO Cc1cc([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])nn1C ZINC000903244744 619743213 /nfs/dbraw/zinc/74/32/13/619743213.db2.gz CNCXPUSFSVYCLR-AAEUAGOBSA-N 1 0 302.378 3.091 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccccc1[N+](=O)[O-] ZINC000903244766 619743279 /nfs/dbraw/zinc/74/32/79/619743279.db2.gz CZJCQENYIAKVBO-NEPJUHHUSA-N 1 0 301.346 3.150 20 5 DGBDRO COc1ccnc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000903245206 619743551 /nfs/dbraw/zinc/74/35/51/619743551.db2.gz KDZPEGOYDFSBTG-CHWSQXEVSA-N 1 0 315.373 3.453 20 5 DGBDRO CC(C)n1cc([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000903244927 619743737 /nfs/dbraw/zinc/74/37/37/619743737.db2.gz GODQWBODZHJULW-STQMWFEESA-N 1 0 317.393 3.222 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000903246125 619743870 /nfs/dbraw/zinc/74/38/70/619743870.db2.gz RCEWFHKEEMXJLA-OCCSQVGLSA-N 1 0 300.362 3.020 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000903265472 619745212 /nfs/dbraw/zinc/74/52/12/619745212.db2.gz LCCRPZPYMDMPJQ-ZLENFMNRSA-N 1 0 320.389 3.212 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCOC12CCCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903269338 619749522 /nfs/dbraw/zinc/74/95/22/619749522.db2.gz WCIHXJDECWDTRW-WBMJQRKESA-N 1 0 319.405 3.319 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CCCC2 ZINC000903286253 619754126 /nfs/dbraw/zinc/75/41/26/619754126.db2.gz FPXFXTNQIKNOPV-SUMCQTLJSA-N 1 0 314.385 3.128 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1cncs1 ZINC000903306203 619756381 /nfs/dbraw/zinc/75/63/81/619756381.db2.gz VXKZGJOANLRPBA-UWVGGRQHSA-N 1 0 309.366 3.472 20 5 DGBDRO C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903427502 619774597 /nfs/dbraw/zinc/77/45/97/619774597.db2.gz GZWXYUCHRZDYPL-APPDUMDISA-N 1 0 312.373 3.374 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@H]2CCCC2(F)F)cc1 ZINC000905422849 619996222 /nfs/dbraw/zinc/99/62/22/619996222.db2.gz LBHRLGOTBPEUFH-TZMCWYRMSA-N 1 0 314.332 3.043 20 5 DGBDRO O=C(CC[NH2+]C[C@@]12C[C@@H]1CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000905508859 620003285 /nfs/dbraw/zinc/00/32/85/620003285.db2.gz LITMNGWPOMWLDX-SUMWQHHRSA-N 1 0 317.389 3.093 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCSC3(CCC3)C2)cc1 ZINC000905601262 620008686 /nfs/dbraw/zinc/00/86/86/620008686.db2.gz OSCZJXXMBGYPCS-DZGCQCFKSA-N 1 0 322.430 3.036 20 5 DGBDRO Cc1cc(F)c(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000905616173 620012849 /nfs/dbraw/zinc/01/28/49/620012849.db2.gz HUCMWUGTBUNEFL-INIZCTEOSA-N 1 0 322.311 3.005 20 5 DGBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000905645442 620016488 /nfs/dbraw/zinc/01/64/88/620016488.db2.gz YLQIPGLBDPHLII-SJCJKPOMSA-N 1 0 318.348 3.161 20 5 DGBDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000905738619 620024295 /nfs/dbraw/zinc/02/42/95/620024295.db2.gz DYVANZVYJCKSAA-CJNGLKHVSA-N 1 0 300.362 3.017 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905788677 620032514 /nfs/dbraw/zinc/03/25/14/620032514.db2.gz PLQNZVOSHDRYKC-GFCCVEGCSA-N 1 0 317.393 3.026 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852566736 620630543 /nfs/dbraw/zinc/63/05/43/620630543.db2.gz ONCUNUUGEXFMFT-PBHICJAKSA-N 1 0 311.385 3.491 20 5 DGBDRO C[C@H]([NH2+]Cc1ccnn1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000922148960 620996159 /nfs/dbraw/zinc/99/61/59/620996159.db2.gz GHEFZAMNZAADAJ-LBPRGKRZSA-N 1 0 300.362 3.367 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCO[C@@H]1CCCCO1 ZINC000922233179 621010660 /nfs/dbraw/zinc/01/06/60/621010660.db2.gz VDVSCGQYBRZKPP-QGZVFWFLSA-N 1 0 322.405 3.235 20 5 DGBDRO CC(C)(C)[NH2+]CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000856728163 621012209 /nfs/dbraw/zinc/01/22/09/621012209.db2.gz LQGRQGUDTXNMML-UHFFFAOYSA-N 1 0 316.199 3.157 20 5 DGBDRO COc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000922421862 621035866 /nfs/dbraw/zinc/03/58/66/621035866.db2.gz AAPIXJHBNYHEBK-AGUYFDCRSA-N 1 0 322.430 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCCc3cn[nH]c32)cc1 ZINC000857860298 621123978 /nfs/dbraw/zinc/12/39/78/621123978.db2.gz YKBXANQLVMISIL-MRXNPFEDSA-N 1 0 314.389 3.308 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533960 621192373 /nfs/dbraw/zinc/19/23/73/621192373.db2.gz PJYMDGMVQCWYTP-YOEHRIQHSA-N 1 0 303.406 3.182 20 5 DGBDRO [NH3+]CC[C@@H]1Cc2ccccc2N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000923545909 621192960 /nfs/dbraw/zinc/19/29/60/621192960.db2.gz UPJAHTZWABQUHA-GFCCVEGCSA-N 1 0 317.414 3.184 20 5 DGBDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000858503578 621199000 /nfs/dbraw/zinc/19/90/00/621199000.db2.gz BYQOTFNYMYSDPW-DOMZBBRYSA-N 1 0 318.373 3.206 20 5 DGBDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000858505512 621199271 /nfs/dbraw/zinc/19/92/71/621199271.db2.gz LLXXBMVXZHKCJL-GXTWGEPZSA-N 1 0 318.373 3.206 20 5 DGBDRO COC1CC(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000859325636 621270037 /nfs/dbraw/zinc/27/00/37/621270037.db2.gz YUJRGFIZSZHUMV-GNHJJJEISA-N 1 0 304.390 3.199 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000839140620 621340630 /nfs/dbraw/zinc/34/06/30/621340630.db2.gz RXKHNQPOFKQMEM-CQSZACIVSA-N 1 0 310.781 3.128 20 5 DGBDRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839462605 621372160 /nfs/dbraw/zinc/37/21/60/621372160.db2.gz NTYXAHABMOMUSE-JTQLQIEISA-N 1 0 313.785 3.307 20 5 DGBDRO CCC(C)(C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839516563 621380977 /nfs/dbraw/zinc/38/09/77/621380977.db2.gz JGMUJVIUMDFTDW-UHFFFAOYSA-N 1 0 313.785 3.307 20 5 DGBDRO Cc1cc(F)ccc1C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000753787490 621464629 /nfs/dbraw/zinc/46/46/29/621464629.db2.gz WSUCBAUNAALGHO-KRWDZBQOSA-N 1 0 318.348 3.208 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000756902440 621671509 /nfs/dbraw/zinc/67/15/09/621671509.db2.gz SNRLBVPWDFRDHH-SMDDNHRTSA-N 1 0 310.781 3.249 20 5 DGBDRO C[C@H]([NH3+])CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000863652017 621693790 /nfs/dbraw/zinc/69/37/90/621693790.db2.gz OYGNFWXGFTWEBV-JTQLQIEISA-N 1 0 323.780 3.287 20 5 DGBDRO CCC[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000757610370 621728055 /nfs/dbraw/zinc/72/80/55/621728055.db2.gz MKFJAMGKKVIFBX-CYBMUJFWSA-N 1 0 302.378 3.414 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000759616017 621875585 /nfs/dbraw/zinc/87/55/85/621875585.db2.gz SUTMFWNLPKRXRL-CABCVRRESA-N 1 0 310.369 3.417 20 5 DGBDRO Cc1nn(C[N@H+]2CCC[C@H](C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761289196 621999408 /nfs/dbraw/zinc/99/94/08/621999408.db2.gz DEZDKZHEWZBYGW-LBPRGKRZSA-N 1 0 302.378 3.332 20 5 DGBDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000865872257 622012754 /nfs/dbraw/zinc/01/27/54/622012754.db2.gz JSSRAGMDTMDXTC-TZMCWYRMSA-N 1 0 318.373 3.494 20 5 DGBDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000865872255 622012759 /nfs/dbraw/zinc/01/27/59/622012759.db2.gz JSSRAGMDTMDXTC-OCCSQVGLSA-N 1 0 318.373 3.494 20 5 DGBDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000865872559 622012788 /nfs/dbraw/zinc/01/27/88/622012788.db2.gz MGSMCGKJQLJSRB-QWHCGFSZSA-N 1 0 318.373 3.494 20 5 DGBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)CC[C@@H]21 ZINC000866209818 622066973 /nfs/dbraw/zinc/06/69/73/622066973.db2.gz VVBZOYWYIKJWBY-MFKMUULPSA-N 1 0 311.332 3.063 20 5 DGBDRO CCc1cc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])on1 ZINC000866272399 622082104 /nfs/dbraw/zinc/08/21/04/622082104.db2.gz WFUKWJBLUTZVEJ-SNVBAGLBSA-N 1 0 307.325 3.005 20 5 DGBDRO CN1CC[C@](O)(C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000762557205 622083650 /nfs/dbraw/zinc/08/36/50/622083650.db2.gz VSPQGVPNTBIXFG-NRFANRHFSA-N 1 0 320.436 3.149 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000762619907 622087119 /nfs/dbraw/zinc/08/71/19/622087119.db2.gz XTAFYFPMWPCTCD-HZSPNIEDSA-N 1 0 310.444 3.064 20 5 DGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866314748 622091965 /nfs/dbraw/zinc/09/19/65/622091965.db2.gz OHZCSNQWFORACL-NORZTCDRSA-N 1 0 310.369 3.070 20 5 DGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866314747 622092002 /nfs/dbraw/zinc/09/20/02/622092002.db2.gz OHZCSNQWFORACL-DETPVDSQSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000866337241 622096891 /nfs/dbraw/zinc/09/68/91/622096891.db2.gz VTTKRSMJYLALTH-MGPQQGTHSA-N 1 0 324.396 3.460 20 5 DGBDRO CCc1nc(C)c(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000866363158 622102907 /nfs/dbraw/zinc/10/29/07/622102907.db2.gz JYJFGRHTQVEYQS-SNVBAGLBSA-N 1 0 321.352 3.314 20 5 DGBDRO CCc1nc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])co1 ZINC000866371419 622105033 /nfs/dbraw/zinc/10/50/33/622105033.db2.gz LRRZSTAXFBRAAG-SNVBAGLBSA-N 1 0 307.325 3.005 20 5 DGBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866369181 622105120 /nfs/dbraw/zinc/10/51/20/622105120.db2.gz BIZQCANJCHIISN-MMPTUQATSA-N 1 0 310.369 3.068 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)c1ccccn1 ZINC000866384535 622107629 /nfs/dbraw/zinc/10/76/29/622107629.db2.gz BOLASMPUBIHECI-STQMWFEESA-N 1 0 317.364 3.453 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000866388960 622108980 /nfs/dbraw/zinc/10/89/80/622108980.db2.gz BRVZWXXVXMULNZ-XUJVJEKNSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000866397634 622111018 /nfs/dbraw/zinc/11/10/18/622111018.db2.gz JIEBOFSVKBWYPN-XMQPUEPBSA-N 1 0 310.369 3.066 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(F)c1)CCC2 ZINC000866475413 622124256 /nfs/dbraw/zinc/12/42/56/622124256.db2.gz YKOMVVWEISJSLU-OAHLLOKOSA-N 1 0 301.321 3.296 20 5 DGBDRO Cc1nn(C[N@@H+](CC(C)C)C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121089787 622129341 /nfs/dbraw/zinc/12/93/41/622129341.db2.gz KDMHTXFPBPEHDW-UHFFFAOYSA-N 1 0 302.378 3.331 20 5 DGBDRO CC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000121107472 622131324 /nfs/dbraw/zinc/13/13/24/622131324.db2.gz MNNOHCYMBCGHRE-UHFFFAOYSA-N 1 0 302.378 3.475 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)c2cnc(C)nc2C)cc1[N+](=O)[O-] ZINC000866539264 622135038 /nfs/dbraw/zinc/13/50/38/622135038.db2.gz AKPZSKXUOFORID-NSHDSACASA-N 1 0 300.362 3.161 20 5 DGBDRO C[C@H](C(=O)OCC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000763401836 622143467 /nfs/dbraw/zinc/14/34/67/622143467.db2.gz HPFKTFYTRMCFRI-ZFWWWQNUSA-N 1 0 320.389 3.116 20 5 DGBDRO C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866622924 622148802 /nfs/dbraw/zinc/14/88/02/622148802.db2.gz JSXPAHIXWJCIIK-BLLLJJGKSA-N 1 0 319.405 3.319 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H](O)C1CCCC1 ZINC000866638785 622152387 /nfs/dbraw/zinc/15/23/87/622152387.db2.gz KUZLSKOIEROULD-MLGOLLRUSA-N 1 0 322.405 3.195 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000764940415 622234667 /nfs/dbraw/zinc/23/46/67/622234667.db2.gz JPIQVCYPYNKWFR-LBPRGKRZSA-N 1 0 323.368 3.171 20 5 DGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765058720 622243040 /nfs/dbraw/zinc/24/30/40/622243040.db2.gz XIQNDJXCTJBZNQ-YPMHNXCESA-N 1 0 302.378 3.331 20 5 DGBDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765846219 622290817 /nfs/dbraw/zinc/29/08/17/622290817.db2.gz VXROWHMRNARNJZ-ROUUACIJSA-N 1 0 312.369 3.214 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000765846802 622290848 /nfs/dbraw/zinc/29/08/48/622290848.db2.gz YMAULTNGCJECKV-IRXDYDNUSA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCCCCCC1)OCCO2 ZINC000768144437 622441783 /nfs/dbraw/zinc/44/17/83/622441783.db2.gz QWLOYUJVPUXXQY-UHFFFAOYSA-N 1 0 306.362 3.132 20 5 DGBDRO C[C@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000870789910 622511478 /nfs/dbraw/zinc/51/14/78/622511478.db2.gz ZMTBAPHTNPBSBS-OLZOCXBDSA-N 1 0 306.362 3.015 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000123362861 622521444 /nfs/dbraw/zinc/52/14/44/622521444.db2.gz XSUURKXEECOPFI-AOOOYVTPSA-N 1 0 311.769 3.060 20 5 DGBDRO C[N@H+](Cc1c2ccccc2cc2ccccc21)CC(C)(CO)CO ZINC000769448385 622528814 /nfs/dbraw/zinc/52/88/14/622528814.db2.gz NIEOTUKMJDYVQL-UHFFFAOYSA-N 1 0 323.436 3.416 20 5 DGBDRO Cc1cc(C)cc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000769844650 622567941 /nfs/dbraw/zinc/56/79/41/622567941.db2.gz BFEUWZAGHWYJSY-GOSISDBHSA-N 1 0 314.385 3.377 20 5 DGBDRO CCc1noc(C)c1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000769874719 622570504 /nfs/dbraw/zinc/57/05/04/622570504.db2.gz LLLPMHVPIGKZAI-LLVKDONJSA-N 1 0 303.362 3.347 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC12CCC2 ZINC000770671696 622660047 /nfs/dbraw/zinc/66/00/47/622660047.db2.gz UMBKDWQQLNPQPS-CYBMUJFWSA-N 1 0 314.389 3.414 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017614 622753383 /nfs/dbraw/zinc/75/33/83/622753383.db2.gz CZFAZDLOWIFECH-FZMZJTMJSA-N 1 0 321.352 3.280 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+](C)CC1 ZINC000872018084 622753632 /nfs/dbraw/zinc/75/36/32/622753632.db2.gz ICCQGKIYDIGWLR-NSHDSACASA-N 1 0 309.435 3.062 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872024933 622759109 /nfs/dbraw/zinc/75/91/09/622759109.db2.gz XNBJIKFMHKMESS-CHWSQXEVSA-N 1 0 309.385 3.116 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872031159 622762911 /nfs/dbraw/zinc/76/29/11/622762911.db2.gz GQPZHORCPZSJHY-CZUORRHYSA-N 1 0 322.405 3.287 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038698 622767861 /nfs/dbraw/zinc/76/78/61/622767861.db2.gz OZTSOXIEORMBDX-NBLIUIFLSA-N 1 0 308.353 3.198 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000872040047 622768887 /nfs/dbraw/zinc/76/88/87/622768887.db2.gz WLHBTXPZJSWRLH-WOPDTQHZSA-N 1 0 310.419 3.392 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041730 622769768 /nfs/dbraw/zinc/76/97/68/622769768.db2.gz KNELQHVPINEWBO-TZMCWYRMSA-N 1 0 318.348 3.161 20 5 DGBDRO C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048555 622774398 /nfs/dbraw/zinc/77/43/98/622774398.db2.gz JMFNIVAPFFUFOS-SMDDNHRTSA-N 1 0 310.369 3.326 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)CC1CC1 ZINC000872053655 622777865 /nfs/dbraw/zinc/77/78/65/622777865.db2.gz YWSPOGMIUJLQBX-PWSUYJOCSA-N 1 0 310.419 3.128 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CO)CCC1 ZINC000872062740 622784222 /nfs/dbraw/zinc/78/42/22/622784222.db2.gz OVNHOEYNIYSETC-LLVKDONJSA-N 1 0 310.419 3.130 20 5 DGBDRO C[C@@H]([NH2+]CC1(CF)CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075243 622791506 /nfs/dbraw/zinc/79/15/06/622791506.db2.gz BCBMBJAREDBOPP-LLVKDONJSA-N 1 0 314.332 3.151 20 5 DGBDRO C[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086430 622797049 /nfs/dbraw/zinc/79/70/49/622797049.db2.gz WONNJYPHRJGPPC-NEPJUHHUSA-N 1 0 309.385 3.257 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C1(CO)CC1 ZINC000872086733 622797187 /nfs/dbraw/zinc/79/71/87/622797187.db2.gz YVMNJWSZNDZPIM-GHMZBOCLSA-N 1 0 310.419 3.128 20 5 DGBDRO C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086431 622797277 /nfs/dbraw/zinc/79/72/77/622797277.db2.gz WONNJYPHRJGPPC-NWDGAFQWSA-N 1 0 309.385 3.257 20 5 DGBDRO O=C(CC[NH2+]CCC[C@@H]1C=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000872247800 622866529 /nfs/dbraw/zinc/86/65/29/622866529.db2.gz NVTIDSNDWNSURI-CQSZACIVSA-N 1 0 317.389 3.259 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872253831 622868552 /nfs/dbraw/zinc/86/85/52/622868552.db2.gz KLBVPTWSHLJXNS-CQSZACIVSA-N 1 0 314.332 3.068 20 5 DGBDRO CC1(C)C[NH2+]CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000872253101 622868584 /nfs/dbraw/zinc/86/85/84/622868584.db2.gz ZWENGHMVSOATCS-ZDUSSCGKSA-N 1 0 311.813 3.116 20 5 DGBDRO CCc1noc(C)c1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000773119609 622987176 /nfs/dbraw/zinc/98/71/76/622987176.db2.gz PTJMZESLSZANSU-LLVKDONJSA-N 1 0 303.362 3.347 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccc(OC(C)C)nc2)cccc1[N+](=O)[O-] ZINC000873013451 623017224 /nfs/dbraw/zinc/01/72/24/623017224.db2.gz ASUQFQNGLJBKEX-UHFFFAOYSA-N 1 0 315.373 3.375 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873020498 623019004 /nfs/dbraw/zinc/01/90/04/623019004.db2.gz UOJODSBNCDFCOG-OAHLLOKOSA-N 1 0 305.422 3.033 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CSCCS1 ZINC000873073896 623030879 /nfs/dbraw/zinc/03/08/79/623030879.db2.gz FVKJIZMWFALFIW-LBPRGKRZSA-N 1 0 312.460 3.150 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000873100813 623036753 /nfs/dbraw/zinc/03/67/53/623036753.db2.gz FKMONNCNTZWGTM-MRXNPFEDSA-N 1 0 306.406 3.098 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccnc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000873123823 623041151 /nfs/dbraw/zinc/04/11/51/623041151.db2.gz MMVSHIBLVLOSLT-UHFFFAOYSA-N 1 0 323.299 3.189 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873148704 623050294 /nfs/dbraw/zinc/05/02/94/623050294.db2.gz GQMJKZFRONSJNV-WBVHZDCISA-N 1 0 304.390 3.198 20 5 DGBDRO Cc1c(C[NH2+]C2([C@@H]3CCCCO3)CCC2)cccc1[N+](=O)[O-] ZINC000873152487 623050592 /nfs/dbraw/zinc/05/05/92/623050592.db2.gz QNZWISHVGQMBIC-INIZCTEOSA-N 1 0 304.390 3.485 20 5 DGBDRO Cc1c(C[NH2+]CCc2cn(C)c3ncccc23)cccc1[N+](=O)[O-] ZINC000873152354 623051054 /nfs/dbraw/zinc/05/10/54/623051054.db2.gz MFXSAPNZUHEYOB-UHFFFAOYSA-N 1 0 324.384 3.122 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1 ZINC000873156607 623055534 /nfs/dbraw/zinc/05/55/34/623055534.db2.gz LMNMAVDSCAZIMK-XEGUGMAKSA-N 1 0 310.781 3.295 20 5 DGBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000873215310 623078127 /nfs/dbraw/zinc/07/81/27/623078127.db2.gz WLJJKZMCGQPTRW-GOEBONIOSA-N 1 0 301.321 3.161 20 5 DGBDRO CC(C)c1ccc(CN[C@@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873229473 623083134 /nfs/dbraw/zinc/08/31/34/623083134.db2.gz ADGLZIQHDILHNX-IAGOWNOFSA-N 1 0 303.406 3.092 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](c2cccs2)C2CC2)cc1 ZINC000774412768 623141129 /nfs/dbraw/zinc/14/11/29/623141129.db2.gz SYNNDVLNVAPAJL-GDBMZVCRSA-N 1 0 318.398 3.431 20 5 DGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000774620737 623167296 /nfs/dbraw/zinc/16/72/96/623167296.db2.gz VRMKFUAAWIPIEU-ABAIWWIYSA-N 1 0 302.378 3.331 20 5 DGBDRO CC(C)[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CC1 ZINC000774636461 623168522 /nfs/dbraw/zinc/16/85/22/623168522.db2.gz UUAAIGPAPHLGOS-UHFFFAOYSA-N 1 0 308.769 3.428 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000775060055 623223866 /nfs/dbraw/zinc/22/38/66/623223866.db2.gz GDFZRCXJRALKQD-NSHDSACASA-N 1 0 307.350 3.371 20 5 DGBDRO CC[NH+](CC)CCCCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000874467655 623275537 /nfs/dbraw/zinc/27/55/37/623275537.db2.gz UBVWLICBIFPGSX-UHFFFAOYSA-N 1 0 321.421 3.063 20 5 DGBDRO CC(C)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000775447091 623276259 /nfs/dbraw/zinc/27/62/59/623276259.db2.gz XCOAWRCZULTIEU-QGZVFWFLSA-N 1 0 315.373 3.356 20 5 DGBDRO C[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271124 623405267 /nfs/dbraw/zinc/40/52/67/623405267.db2.gz HYLSPYYLBVMUOQ-CXAGYDPISA-N 1 0 300.358 3.321 20 5 DGBDRO C[C@@H](c1cccs1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278584 623405797 /nfs/dbraw/zinc/40/57/97/623405797.db2.gz RJVVBXXCZBVMAI-FZMZJTMJSA-N 1 0 306.387 3.383 20 5 DGBDRO C[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582675 623442822 /nfs/dbraw/zinc/44/28/22/623442822.db2.gz SVUMKWATDXOBGN-SCLBCKFNSA-N 1 0 312.369 3.248 20 5 DGBDRO CC(C)(C)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776583388 623442903 /nfs/dbraw/zinc/44/29/03/623442903.db2.gz FHDUNVFRLWPANH-MRXNPFEDSA-N 1 0 306.406 3.386 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC3(CCCC3)CC2)cc1 ZINC000776584299 623443378 /nfs/dbraw/zinc/44/33/78/623443378.db2.gz KLHNRURNGPODER-INIZCTEOSA-N 1 0 304.390 3.284 20 5 DGBDRO CC(C)(C)C1=CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592826 623445099 /nfs/dbraw/zinc/44/50/99/623445099.db2.gz AVUYKMROKJDLJN-MRXNPFEDSA-N 1 0 304.390 3.306 20 5 DGBDRO C[C@@H]1C[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H]1C ZINC000777956170 623589812 /nfs/dbraw/zinc/58/98/12/623589812.db2.gz CRGOMGJJJQNNRL-CHWSQXEVSA-N 1 0 300.362 3.004 20 5 DGBDRO CC[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CCC1 ZINC000777955994 623590175 /nfs/dbraw/zinc/59/01/75/623590175.db2.gz WDMMMMLJOCGOLH-UHFFFAOYSA-N 1 0 300.362 3.290 20 5 DGBDRO CC[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876885486 623736352 /nfs/dbraw/zinc/73/63/52/623736352.db2.gz XZOUKWWJDPJQHD-IUDNXUCKSA-N 1 0 314.389 3.278 20 5 DGBDRO Cc1ccccc1[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876889773 623737491 /nfs/dbraw/zinc/73/74/91/623737491.db2.gz QFAQSUBLGVTORZ-IYXRBSQSSA-N 1 0 300.362 3.154 20 5 DGBDRO CCN(CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1C(C)=O ZINC000882242029 625672301 /nfs/dbraw/zinc/67/23/01/625672301.db2.gz MRBHLNGDAVKBAS-UHFFFAOYSA-N 1 0 319.405 3.110 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(F)c(Cl)c3)C2)c1 ZINC000876995905 623762502 /nfs/dbraw/zinc/76/25/02/623762502.db2.gz MBHAFSBMOXVIKX-UHFFFAOYSA-N 1 0 324.743 3.077 20 5 DGBDRO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000877020430 623767333 /nfs/dbraw/zinc/76/73/33/623767333.db2.gz TULNONUBWYRFRO-QGLTVNCISA-N 1 0 318.352 3.027 20 5 DGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000779428908 623769439 /nfs/dbraw/zinc/76/94/39/623769439.db2.gz JXRVJWSNBYCIEX-LLVKDONJSA-N 1 0 311.813 3.415 20 5 DGBDRO Cc1ccc([C@@H](C)C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000877052259 623776933 /nfs/dbraw/zinc/77/69/33/623776933.db2.gz UNGIHXQXNMPGGS-JEYLPNPQSA-N 1 0 314.389 3.197 20 5 DGBDRO CS[C@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877068397 623782286 /nfs/dbraw/zinc/78/22/86/623782286.db2.gz QMWQQJPPZQKJHQ-ONGXEEELSA-N 1 0 307.375 3.110 20 5 DGBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877082825 623786880 /nfs/dbraw/zinc/78/68/80/623786880.db2.gz CYSLCFVGQMVRKB-XZNOPERXSA-N 1 0 306.410 3.299 20 5 DGBDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000877145439 623805793 /nfs/dbraw/zinc/80/57/93/623805793.db2.gz HLTSBFLTAFMGGM-XUSGNXJCSA-N 1 0 314.322 3.407 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2CCC2CCCC2)cc1[N+](=O)[O-] ZINC000779866165 623824307 /nfs/dbraw/zinc/82/43/07/623824307.db2.gz CKABFCGLPAQXOH-HNNXBMFYSA-N 1 0 306.410 3.492 20 5 DGBDRO CSCCCCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877304226 623845586 /nfs/dbraw/zinc/84/55/86/623845586.db2.gz WGVCDLLREZLJBK-UHFFFAOYSA-N 1 0 312.439 3.008 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCC=CO1 ZINC000877460706 623893214 /nfs/dbraw/zinc/89/32/14/623893214.db2.gz WVTHOBHIUJVKFY-GFCCVEGCSA-N 1 0 316.279 3.396 20 5 DGBDRO CC(C)[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000780499350 623940548 /nfs/dbraw/zinc/94/05/48/623940548.db2.gz SIGXGKRORVQKRY-AWEZNQCLSA-N 1 0 302.378 3.270 20 5 DGBDRO C[C@H]1C[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@@H](C)C1 ZINC000877625422 623967574 /nfs/dbraw/zinc/96/75/74/623967574.db2.gz YKSUCXJTIVDXIX-UMIUCAKVSA-N 1 0 306.410 3.157 20 5 DGBDRO CCC(F)(F)C(C)(C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877656055 623979723 /nfs/dbraw/zinc/97/97/23/623979723.db2.gz UZYHKYBANCORLM-UHFFFAOYSA-N 1 0 316.352 3.156 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1Cl ZINC000877738592 624012250 /nfs/dbraw/zinc/01/22/50/624012250.db2.gz OPJYVIDEUQSEFE-VXGBXAGGSA-N 1 0 312.822 3.433 20 5 DGBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877796760 624037892 /nfs/dbraw/zinc/03/78/92/624037892.db2.gz LTWLGGGXZYFKSN-GFCCVEGCSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1csc([C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000877812670 624044678 /nfs/dbraw/zinc/04/46/78/624044678.db2.gz DRALGZNVIQUMNJ-ZDUSSCGKSA-N 1 0 303.387 3.349 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CCCCC2)o1 ZINC000877945444 624104487 /nfs/dbraw/zinc/10/44/87/624104487.db2.gz XEPSMDJNDOOJNH-UHFFFAOYSA-N 1 0 322.752 3.284 20 5 DGBDRO CCC[NH+](CCC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877961464 624112748 /nfs/dbraw/zinc/11/27/48/624112748.db2.gz PXLUFZVXGRTIPP-UHFFFAOYSA-N 1 0 304.350 3.267 20 5 DGBDRO CC(C)C[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878001302 624130440 /nfs/dbraw/zinc/13/04/40/624130440.db2.gz PFLJFHLVCDVXEK-UHFFFAOYSA-N 1 0 324.768 3.386 20 5 DGBDRO C[C@@H]1CCCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878106025 624170735 /nfs/dbraw/zinc/17/07/35/624170735.db2.gz KCWWTDZQTGXKCB-GFCCVEGCSA-N 1 0 316.361 3.409 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000878128584 624181250 /nfs/dbraw/zinc/18/12/50/624181250.db2.gz ANNXMTAESKLHBL-RYUDHWBXSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCC[C@@H]21 ZINC000782274605 624230829 /nfs/dbraw/zinc/23/08/29/624230829.db2.gz BRZOBCSGZABAFS-SRCQZFHVSA-N 1 0 314.389 3.413 20 5 DGBDRO C[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]2CCCC[C@H]12 ZINC000782278961 624231811 /nfs/dbraw/zinc/23/18/11/624231811.db2.gz ZVMASMKAWKWJTL-WQVCFCJDSA-N 1 0 314.389 3.413 20 5 DGBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]21 ZINC000782502861 624257295 /nfs/dbraw/zinc/25/72/95/624257295.db2.gz HVIGJJOYUIZSAZ-ZFVVBOAOSA-N 1 0 304.390 3.139 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878598317 624318636 /nfs/dbraw/zinc/31/86/36/624318636.db2.gz CHMKOSDZACUXSU-ZOBUZTSGSA-N 1 0 304.390 3.027 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000878612598 624321879 /nfs/dbraw/zinc/32/18/79/624321879.db2.gz RNZHGJQPPCIHBA-BBRMVZONSA-N 1 0 314.389 3.183 20 5 DGBDRO CC(C)([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000878643834 624328355 /nfs/dbraw/zinc/32/83/55/624328355.db2.gz PWZKJISUWYEUOS-WWGRRREGSA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@H](CO)[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000805751340 624391924 /nfs/dbraw/zinc/39/19/24/624391924.db2.gz HNKMXVHNPVDXAC-LLVKDONJSA-N 1 0 312.797 3.374 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000879417672 624539189 /nfs/dbraw/zinc/53/91/89/624539189.db2.gz FQNCFEMZUVICIL-ZOBUZTSGSA-N 1 0 304.390 3.029 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@H]3CSC[C@@H]3C2)c(F)c1 ZINC000879566363 624592471 /nfs/dbraw/zinc/59/24/71/624592471.db2.gz UOAHAKFZBVWFBK-UWVGGRQHSA-N 1 0 314.357 3.058 20 5 DGBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785541723 624684341 /nfs/dbraw/zinc/68/43/41/624684341.db2.gz VXNSKOFDVAMCBF-HFAKWTLXSA-N 1 0 312.797 3.230 20 5 DGBDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000880011200 624752551 /nfs/dbraw/zinc/75/25/51/624752551.db2.gz IQXWZBVIPMDUGH-GFCCVEGCSA-N 1 0 321.377 3.488 20 5 DGBDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000880013593 624755762 /nfs/dbraw/zinc/75/57/62/624755762.db2.gz SHJWRCIISPAGDS-GFCCVEGCSA-N 1 0 321.377 3.488 20 5 DGBDRO CC(=O)c1ccc(N(CC[NH+](C)C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000786553781 624920356 /nfs/dbraw/zinc/92/03/56/624920356.db2.gz BFDNSQBEEPXYNW-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC[C@H]1C ZINC000786818465 624956012 /nfs/dbraw/zinc/95/60/12/624956012.db2.gz YSFUMAXFDSFREA-QKXCFHHRSA-N 1 0 303.406 3.072 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[S@@](=O)C(C)(C)C ZINC000786814458 624956130 /nfs/dbraw/zinc/95/61/30/624956130.db2.gz OHSOOBSSIIHLGR-KCQSEKJDSA-N 1 0 324.446 3.135 20 5 DGBDRO CCOC(CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OCC ZINC000787431542 625009721 /nfs/dbraw/zinc/00/97/21/625009721.db2.gz DMSOVHRVVZUEEH-UHFFFAOYSA-N 1 0 316.785 3.127 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128592692 625023037 /nfs/dbraw/zinc/02/30/37/625023037.db2.gz OZDXVOQXMZBWJO-TXEJJXNPSA-N 1 0 323.368 3.325 20 5 DGBDRO C[C@H](CO)[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000788466171 625185232 /nfs/dbraw/zinc/18/52/32/625185232.db2.gz FTFBVWJKGJKZLM-LLVKDONJSA-N 1 0 312.797 3.374 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788647451 625235105 /nfs/dbraw/zinc/23/51/05/625235105.db2.gz UHVLJJIAOQRTRK-QWHCGFSZSA-N 1 0 315.373 3.295 20 5 DGBDRO Cc1ccc(OCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788647588 625235751 /nfs/dbraw/zinc/23/57/51/625235751.db2.gz HCMBQEUXKFKFJP-CYBMUJFWSA-N 1 0 315.373 3.215 20 5 DGBDRO CCc1ccc([C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000788821982 625275575 /nfs/dbraw/zinc/27/55/75/625275575.db2.gz ZKXKOMKKDYFKNN-SFHVURJKSA-N 1 0 314.385 3.023 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000130330270 625838924 /nfs/dbraw/zinc/83/89/24/625838924.db2.gz GAYAKXBWMYFIME-IUODEOHRSA-N 1 0 304.346 3.098 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000130330041 625839119 /nfs/dbraw/zinc/83/91/19/625839119.db2.gz GAYAKXBWMYFIME-SWLSCSKDSA-N 1 0 304.346 3.098 20 5 DGBDRO C[C@H](OC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1[N+](=O)[O-] ZINC000792570352 625960336 /nfs/dbraw/zinc/96/03/36/625960336.db2.gz GMDKYMTWZMAIDV-NSHDSACASA-N 1 0 311.297 3.161 20 5 DGBDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000796452782 626051253 /nfs/dbraw/zinc/05/12/53/626051253.db2.gz XLIZEPGSOCAJEZ-GOSISDBHSA-N 1 0 314.385 3.289 20 5 DGBDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000796481503 626054960 /nfs/dbraw/zinc/05/49/60/626054960.db2.gz HULFWHCJJMICQR-IAQYHMDHSA-N 1 0 306.387 3.176 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000796576054 626063157 /nfs/dbraw/zinc/06/31/57/626063157.db2.gz RLBQIPQMMFEPDN-GDBMZVCRSA-N 1 0 306.406 3.386 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796575266 626063165 /nfs/dbraw/zinc/06/31/65/626063165.db2.gz LMHWOTLRWXRRMY-ZBFHGGJFSA-N 1 0 306.406 3.386 20 5 DGBDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796575263 626063301 /nfs/dbraw/zinc/06/33/01/626063301.db2.gz LMHWOTLRWXRRMY-GOEBONIOSA-N 1 0 306.406 3.386 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CC2CC2)CC2CCC2)cc1 ZINC000796579196 626063682 /nfs/dbraw/zinc/06/36/82/626063682.db2.gz DRVOCEXGFDUAFR-QGZVFWFLSA-N 1 0 304.390 3.140 20 5 DGBDRO CCC(CC)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000800845760 626378738 /nfs/dbraw/zinc/37/87/38/626378738.db2.gz KHEHXDCZOGCCCL-KRWDZBQOSA-N 1 0 320.437 3.490 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1F ZINC000801519163 626407107 /nfs/dbraw/zinc/40/71/07/626407107.db2.gz IPJSJCSGBJSMPY-INIZCTEOSA-N 1 0 308.353 3.127 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000801528973 626407790 /nfs/dbraw/zinc/40/77/90/626407790.db2.gz XRAGBKNYEFTYGW-SNVBAGLBSA-N 1 0 319.292 3.493 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803701241 626628720 /nfs/dbraw/zinc/62/87/20/626628720.db2.gz FFYCTQTXSMIMSR-SWLSCSKDSA-N 1 0 308.378 3.094 20 5 DGBDRO C=C/C=C\CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000883267513 626630508 /nfs/dbraw/zinc/63/05/08/626630508.db2.gz IGIKHDQWWVTNIW-ZFDPJTLLSA-N 1 0 303.362 3.034 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000803856199 626644468 /nfs/dbraw/zinc/64/44/68/626644468.db2.gz MPJDAVOGJFFTHE-LBPRGKRZSA-N 1 0 324.352 3.042 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883358943 626660363 /nfs/dbraw/zinc/66/03/63/626660363.db2.gz UNCHEXVGSBBTTP-WFASDCNBSA-N 1 0 322.380 3.356 20 5 DGBDRO C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000883382321 626667273 /nfs/dbraw/zinc/66/72/73/626667273.db2.gz DTTSFBDNGTVJJN-LLVKDONJSA-N 1 0 308.353 3.344 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCCCC1 ZINC000804331871 626670150 /nfs/dbraw/zinc/67/01/50/626670150.db2.gz SNUOAAUCKUTNKN-UHFFFAOYSA-N 1 0 305.378 3.085 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804352919 626673114 /nfs/dbraw/zinc/67/31/14/626673114.db2.gz ZBQQRYCVAPFGOP-OKILXGFUSA-N 1 0 320.437 3.347 20 5 DGBDRO C[N@H+](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C1CCCCC1 ZINC000804378916 626674936 /nfs/dbraw/zinc/67/49/36/626674936.db2.gz DSLNDNQJZPBZSA-UHFFFAOYSA-N 1 0 322.365 3.179 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000804399663 626676809 /nfs/dbraw/zinc/67/68/09/626676809.db2.gz BNJSRBMRBVRMSL-CQSZACIVSA-N 1 0 306.410 3.244 20 5 DGBDRO CC[NH+](CC)C[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804519596 626689656 /nfs/dbraw/zinc/68/96/56/626689656.db2.gz AASYNCYLTHCQLN-GFCCVEGCSA-N 1 0 311.813 3.416 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000807993457 626784219 /nfs/dbraw/zinc/78/42/19/626784219.db2.gz FEBMMSVIFAPYKE-AWEZNQCLSA-N 1 0 319.405 3.187 20 5 DGBDRO CCc1ccc(C(=O)OCCC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000800176349 626818975 /nfs/dbraw/zinc/81/89/75/626818975.db2.gz COJSQQYHEJTJKE-UHFFFAOYSA-N 1 0 308.378 3.046 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000800199332 626823814 /nfs/dbraw/zinc/82/38/14/626823814.db2.gz JZTRTEFKVYOIFL-BUHFOSPRSA-N 1 0 320.389 3.273 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC[C@H](O)c1ccccc1)C2 ZINC000808740465 626857169 /nfs/dbraw/zinc/85/71/69/626857169.db2.gz QAWBYBJOEKRVIY-SFHVURJKSA-N 1 0 312.369 3.077 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1CCSCC1 ZINC000134913573 626891429 /nfs/dbraw/zinc/89/14/29/626891429.db2.gz WGKHPMLCHAEVRA-UHFFFAOYSA-N 1 0 300.811 3.481 20 5 DGBDRO Cc1[nH]c(C2CCN(c3ccsc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884705934 626931700 /nfs/dbraw/zinc/93/17/00/626931700.db2.gz MNLIHQIRFWFEEB-UHFFFAOYSA-N 1 0 306.391 3.380 20 5 DGBDRO Cc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000809732370 626942963 /nfs/dbraw/zinc/94/29/63/626942963.db2.gz CFYRAIDXHSLCIU-MRXNPFEDSA-N 1 0 320.776 3.380 20 5 DGBDRO [NH3+]CCN(Cc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000809736313 626943465 /nfs/dbraw/zinc/94/34/65/626943465.db2.gz ONMSEHCNZPXBCS-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO [NH3+]CCN(Cc1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000809734608 626943546 /nfs/dbraw/zinc/94/35/46/626943546.db2.gz ILZUZCFBJYZYPS-UHFFFAOYSA-N 1 0 311.341 3.306 20 5 DGBDRO C[C@H]1C[C@@H]1c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000809734605 626943610 /nfs/dbraw/zinc/94/36/10/626943610.db2.gz ILVWRXBSVQSGPL-LRDDRELGSA-N 1 0 315.373 3.277 20 5 DGBDRO Cc1ccc(F)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809734589 626943709 /nfs/dbraw/zinc/94/37/09/626943709.db2.gz IEEWPBXHEBXKMU-UHFFFAOYSA-N 1 0 303.337 3.008 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000810163179 626983164 /nfs/dbraw/zinc/98/31/64/626983164.db2.gz LNGXSQKQOLDMCT-GFCCVEGCSA-N 1 0 313.829 3.458 20 5 DGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@]12CCOC2 ZINC000885965906 627072333 /nfs/dbraw/zinc/07/23/33/627072333.db2.gz YAXLLUKKQSHDKT-WBVHZDCISA-N 1 0 304.390 3.232 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000886159957 627115572 /nfs/dbraw/zinc/11/55/72/627115572.db2.gz GRWMYSNAFHRZMK-WBVHZDCISA-N 1 0 311.385 3.491 20 5 DGBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C12CCC2 ZINC000886280557 627130510 /nfs/dbraw/zinc/13/05/10/627130510.db2.gz GYGDZSXEQPZGLZ-KBPBESRZSA-N 1 0 319.405 3.206 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC2(CCC2)C1 ZINC000886345406 627141034 /nfs/dbraw/zinc/14/10/34/627141034.db2.gz ZJYHRWZXKSMCGT-MRXNPFEDSA-N 1 0 304.390 3.424 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886676743 627187405 /nfs/dbraw/zinc/18/74/05/627187405.db2.gz LIVLCHFUUNKDLG-UKRRQHHQSA-N 1 0 312.373 3.325 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886702918 627195002 /nfs/dbraw/zinc/19/50/02/627195002.db2.gz HKJIWWKCEYMEFI-DOMZBBRYSA-N 1 0 322.380 3.214 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000886709750 627195908 /nfs/dbraw/zinc/19/59/08/627195908.db2.gz XQQSYXFJNIXJDR-UHFFFAOYSA-N 1 0 309.435 3.107 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000886727165 627197916 /nfs/dbraw/zinc/19/79/16/627197916.db2.gz JOJVELNPWBRXRA-DJIMGWMZSA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000886730932 627198168 /nfs/dbraw/zinc/19/81/68/627198168.db2.gz QMXZUBMMICLQMT-GXTWGEPZSA-N 1 0 319.405 3.177 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886868138 627211861 /nfs/dbraw/zinc/21/18/61/627211861.db2.gz WJTDJUWIQKQTFE-PBHICJAKSA-N 1 0 303.406 3.121 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCOC1 ZINC000811474332 627278234 /nfs/dbraw/zinc/27/82/34/627278234.db2.gz YHYOWRWUHKDYDC-QMMMGPOBSA-N 1 0 305.161 3.028 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811511351 627285593 /nfs/dbraw/zinc/28/55/93/627285593.db2.gz GVSSCQRMKZBVDH-GFCCVEGCSA-N 1 0 313.829 3.458 20 5 DGBDRO Cc1ccoc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000813882695 627518792 /nfs/dbraw/zinc/51/87/92/627518792.db2.gz HKOGJOXGWHILQW-UHFFFAOYSA-N 1 0 315.373 3.255 20 5 DGBDRO CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000890409260 627533319 /nfs/dbraw/zinc/53/33/19/627533319.db2.gz BKXZJHKZZWHEPL-KBPBESRZSA-N 1 0 319.405 3.068 20 5 DGBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CO2 ZINC000815596347 627689310 /nfs/dbraw/zinc/68/93/10/627689310.db2.gz QWNJMAAIISWUBZ-ABAIWWIYSA-N 1 0 313.357 3.270 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCOC23CCCCC3)cc1 ZINC000924955519 627697374 /nfs/dbraw/zinc/69/73/74/627697374.db2.gz ONOMDNVLJCJKHX-MRXNPFEDSA-N 1 0 304.390 3.219 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC000924955260 627697428 /nfs/dbraw/zinc/69/74/28/627697428.db2.gz MPEVGIXIZVDXTI-ZDUSSCGKSA-N 1 0 314.389 3.410 20 5 DGBDRO C[C@H]1CC2(CC([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)C2)CO1 ZINC000925515521 627745421 /nfs/dbraw/zinc/74/54/21/627745421.db2.gz UABQLHJHEKOLNL-VLRKGOCCSA-N 1 0 310.781 3.295 20 5 DGBDRO CC(C)CC[NH+]1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000925642952 627768423 /nfs/dbraw/zinc/76/84/23/627768423.db2.gz UNSXSIPSRDWPNI-UHFFFAOYSA-N 1 0 319.449 3.237 20 5 DGBDRO CC1(C)C[C@@H](NCc2cc(N)cc[nH+]2)c2cc([N+](=O)[O-])ccc21 ZINC000925765770 627791352 /nfs/dbraw/zinc/79/13/52/627791352.db2.gz FEUHITWSHUNMQB-MRXNPFEDSA-N 1 0 312.373 3.084 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CCC([NH+](C)C)CC1 ZINC000817124262 627858173 /nfs/dbraw/zinc/85/81/73/627858173.db2.gz CESNLJDBERTQBQ-UHFFFAOYSA-N 1 0 305.378 3.082 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](CCO)CC2)c1 ZINC000817299098 627879619 /nfs/dbraw/zinc/87/96/19/627879619.db2.gz VGINVGVBLAJTEV-LBPRGKRZSA-N 1 0 312.797 3.233 20 5 DGBDRO C[C@@H](Cc1ccccn1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000926438597 627895514 /nfs/dbraw/zinc/89/55/14/627895514.db2.gz CKOZMTHDAXCXOM-ZDUSSCGKSA-N 1 0 324.384 3.234 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926920349 627981455 /nfs/dbraw/zinc/98/14/55/627981455.db2.gz VBUSAKAXBKSWGE-BMGDILEWSA-N 1 0 318.417 3.465 20 5 DGBDRO Cc1ccc(NCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000927071303 628007483 /nfs/dbraw/zinc/00/74/83/628007483.db2.gz AMNPCOACTLYRLO-ZDUSSCGKSA-N 1 0 300.362 3.061 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927071533 628008325 /nfs/dbraw/zinc/00/83/25/628008325.db2.gz ZKZMGJDAVJIOHI-KHIZAZIESA-N 1 0 319.405 3.033 20 5 DGBDRO CCc1onc(C)c1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000927130016 628022800 /nfs/dbraw/zinc/02/28/00/628022800.db2.gz ARZZUBHOVQCXAK-SNVBAGLBSA-N 1 0 321.352 3.314 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cccc(Cl)c2)c1 ZINC000818941890 628063645 /nfs/dbraw/zinc/06/36/45/628063645.db2.gz TZNDBJGTVDGQNY-MRXNPFEDSA-N 1 0 320.776 3.114 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccccc2Cl)c1 ZINC000818980231 628071781 /nfs/dbraw/zinc/07/17/81/628071781.db2.gz HRAIIDPWGVELPI-MRXNPFEDSA-N 1 0 320.776 3.114 20 5 DGBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819016039 628078814 /nfs/dbraw/zinc/07/88/14/628078814.db2.gz FVNUDMAVBNXYRY-UNEWFSDZSA-N 1 0 306.406 3.433 20 5 DGBDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819016997 628078919 /nfs/dbraw/zinc/07/89/19/628078919.db2.gz AWEIGCZJNUZWSW-ROUUACIJSA-N 1 0 312.369 3.214 20 5 DGBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000819069731 628086529 /nfs/dbraw/zinc/08/65/29/628086529.db2.gz WZUIKNXFAJCCGT-AWEZNQCLSA-N 1 0 320.414 3.257 20 5 DGBDRO Cc1cccc([C@@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819097387 628092046 /nfs/dbraw/zinc/09/20/46/628092046.db2.gz FPSSDNNKWKDAQT-KBXCAEBGSA-N 1 0 314.385 3.330 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000819104875 628092663 /nfs/dbraw/zinc/09/26/63/628092663.db2.gz VZNISNOVVFHZLR-IXDOHACOSA-N 1 0 304.390 3.187 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000819110515 628093773 /nfs/dbraw/zinc/09/37/73/628093773.db2.gz CQIJYUFOJHKAKW-MRXNPFEDSA-N 1 0 320.776 3.114 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000819111683 628093912 /nfs/dbraw/zinc/09/39/12/628093912.db2.gz RXORXYCRGOBCQN-INIZCTEOSA-N 1 0 320.776 3.114 20 5 DGBDRO CC(C)CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819149395 628101069 /nfs/dbraw/zinc/10/10/69/628101069.db2.gz ITLHRFHUZCSIFL-MRXNPFEDSA-N 1 0 306.406 3.434 20 5 DGBDRO Cc1c(-c2noc([C@H]3C[C@@H](C)CC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000823269626 628544188 /nfs/dbraw/zinc/54/41/88/628544188.db2.gz JNAFSWHXKSCOGL-JOYOIKCWSA-N 1 0 302.334 3.014 20 5 DGBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC000824510171 628665971 /nfs/dbraw/zinc/66/59/71/628665971.db2.gz SIOQTAISODMGOU-AWEZNQCLSA-N 1 0 313.348 3.197 20 5 DGBDRO COC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000825322052 628749484 /nfs/dbraw/zinc/74/94/84/628749484.db2.gz WIDGUOVBAPBHBF-LBPRGKRZSA-N 1 0 312.797 3.497 20 5 DGBDRO COCCN(CCF)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000827054089 628917020 /nfs/dbraw/zinc/91/70/20/628917020.db2.gz LSYFPCLMHOOCOC-UHFFFAOYSA-N 1 0 322.336 3.273 20 5 DGBDRO OCC1(O)CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000827147700 628928105 /nfs/dbraw/zinc/92/81/05/628928105.db2.gz VQOQZQKMGDOGJP-UHFFFAOYSA-N 1 0 321.420 3.312 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000829572622 629170678 /nfs/dbraw/zinc/17/06/78/629170678.db2.gz QPRHLMLUAJIXIU-ZDUSSCGKSA-N 1 0 314.389 3.062 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]2CCCO[C@H]21 ZINC000831328883 629363227 /nfs/dbraw/zinc/36/32/27/629363227.db2.gz QTUXIJAAQBXAFC-KCPJHIHWSA-N 1 0 308.353 3.027 20 5 DGBDRO CC(C)C(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538755 629388057 /nfs/dbraw/zinc/38/80/57/629388057.db2.gz HTLGYFPWIXGMRP-OAHLLOKOSA-N 1 0 304.390 3.389 20 5 DGBDRO CC[C@@H](C(=O)OCc1ccc(C)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000835478586 629941665 /nfs/dbraw/zinc/94/16/65/629941665.db2.gz DQAAZSOAYDCSJV-AWEZNQCLSA-N 1 0 308.378 3.067 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841106009 630408636 /nfs/dbraw/zinc/40/86/36/630408636.db2.gz GDAPJESYNJYCNE-ZDUSSCGKSA-N 1 0 317.776 3.138 20 5 DGBDRO Cc1ccc(-c2noc([C@@H](C(C)C)[C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000841824398 630469053 /nfs/dbraw/zinc/46/90/53/630469053.db2.gz NTQCVIVZFNUHKB-GWCFXTLKSA-N 1 0 304.350 3.040 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000841865847 630471904 /nfs/dbraw/zinc/47/19/04/630471904.db2.gz HNCOZCICVNYZHO-SZMVWBNQSA-N 1 0 312.369 3.022 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)C ZINC000841888586 630473123 /nfs/dbraw/zinc/47/31/23/630473123.db2.gz MNHQKWWWFFNGPX-CYBMUJFWSA-N 1 0 300.786 3.399 20 5 DGBDRO C[NH2+]C[C@H](C)c1noc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000842584124 630550420 /nfs/dbraw/zinc/55/04/20/630550420.db2.gz WDDHIUYOMFSPMH-JTQLQIEISA-N 1 0 304.350 3.091 20 5 DGBDRO CCCC[C@@](C)(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842746134 630570349 /nfs/dbraw/zinc/57/03/49/630570349.db2.gz JTQKRVNVEAZEFG-AWEZNQCLSA-N 1 0 300.786 3.279 20 5 DGBDRO Cc1cccc(C(=O)OC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000842835420 630582844 /nfs/dbraw/zinc/58/28/44/630582844.db2.gz GZHZQINEJAMUKC-AWEZNQCLSA-N 1 0 320.389 3.180 20 5 DGBDRO C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842921854 630593650 /nfs/dbraw/zinc/59/36/50/630593650.db2.gz RZUOQJPQQNSRRE-WCFLWFBJSA-N 1 0 307.394 3.174 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[NH2+]C23CCCC3)cc1Cl ZINC000843127712 630617003 /nfs/dbraw/zinc/61/70/03/630617003.db2.gz HEVNIYCKXBVKAX-CQSZACIVSA-N 1 0 309.797 3.013 20 5 DGBDRO CSc1ccc(-c2nc([C@@H]([NH3+])C(C)C)no2)cc1[N+](=O)[O-] ZINC000843154101 630621773 /nfs/dbraw/zinc/62/17/73/630621773.db2.gz XKLGVYPADYLFRM-NSHDSACASA-N 1 0 308.363 3.023 20 5 DGBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844379791 630722985 /nfs/dbraw/zinc/72/29/85/630722985.db2.gz PSIVMTOLEBRVLU-GXFFZTMASA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440161 630730324 /nfs/dbraw/zinc/73/03/24/630730324.db2.gz QSMYDDUSOLUYRB-AWEZNQCLSA-N 1 0 312.316 3.095 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1NC1CC[NH+](C2CC2)CC1 ZINC000845462368 631176311 /nfs/dbraw/zinc/17/63/11/631176311.db2.gz VCOLEEMDJRIBHJ-UHFFFAOYSA-N 1 0 313.760 3.426 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000845480520 631177946 /nfs/dbraw/zinc/17/79/46/631177946.db2.gz FVQWOSSQYROVQY-JTQLQIEISA-N 1 0 313.760 3.062 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845526711 631180767 /nfs/dbraw/zinc/18/07/67/631180767.db2.gz KGXFEAMKAZLUBN-SNVBAGLBSA-N 1 0 315.776 3.308 20 5 DGBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846019381 631206511 /nfs/dbraw/zinc/20/65/11/631206511.db2.gz YXAINCUZUSJSGG-ZWNOBZJWSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc3nonc3c2)C2CC2)c1 ZINC000846818233 631316903 /nfs/dbraw/zinc/31/69/03/631316903.db2.gz LAGCFMTWYMAWSJ-UHFFFAOYSA-N 1 0 324.340 3.296 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC2(Br)CC2)cc1[N+](=O)[O-] ZINC000846849428 631328603 /nfs/dbraw/zinc/32/86/03/631328603.db2.gz WMYWOMSQTBFTCM-JTQLQIEISA-N 1 0 313.195 3.481 20 5 DGBDRO CC1=C[C@@H](C)C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487225 631669134 /nfs/dbraw/zinc/66/91/34/631669134.db2.gz POJALUCNUXVWBO-CYBMUJFWSA-N 1 0 312.373 3.314 20 5 DGBDRO C[C@H](O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848527027 631677649 /nfs/dbraw/zinc/67/76/49/631677649.db2.gz PJFVCQHTJMGYMD-SJCJKPOMSA-N 1 0 312.369 3.425 20 5 DGBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848533968 631681980 /nfs/dbraw/zinc/68/19/80/631681980.db2.gz WSWWQJVPNNUZCJ-DIOULYMOSA-N 1 0 316.357 3.277 20 5 DGBDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000848567677 631695861 /nfs/dbraw/zinc/69/58/61/631695861.db2.gz ZNZKVQFGFVIKMW-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000849328098 631892702 /nfs/dbraw/zinc/89/27/02/631892702.db2.gz ZRFHJOCVCVDRAN-DLBZAZTESA-N 1 0 316.332 3.214 20 5 DGBDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000850342616 632119345 /nfs/dbraw/zinc/11/93/45/632119345.db2.gz IETNIHHLYCLCBR-CYBMUJFWSA-N 1 0 311.813 3.211 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNc1ccccc1 ZINC000850439882 632153528 /nfs/dbraw/zinc/15/35/28/632153528.db2.gz PTMFHTKTRICHIN-ZDUSSCGKSA-N 1 0 315.373 3.366 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000850439763 632153606 /nfs/dbraw/zinc/15/36/06/632153606.db2.gz OIAHQCQFOWWCFZ-BFHYXJOUSA-N 1 0 321.421 3.127 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1SCCS1)CCC2 ZINC000850561530 632194742 /nfs/dbraw/zinc/19/47/42/632194742.db2.gz OIFWRXSUEIGXIO-ZDUSSCGKSA-N 1 0 310.444 3.368 20 5 DGBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC000850563097 632195562 /nfs/dbraw/zinc/19/55/62/632195562.db2.gz RUSYWOOSZYXPQF-ZBEGNZNMSA-N 1 0 307.394 3.033 20 5 DGBDRO CC1(C)OC[C@@H](CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000851883969 632513958 /nfs/dbraw/zinc/51/39/58/632513958.db2.gz ZREPUUDGPOCWDM-MRXNPFEDSA-N 1 0 320.389 3.101 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852294175 632582028 /nfs/dbraw/zinc/58/20/28/632582028.db2.gz WPFAWZFHWBUZBB-SNVBAGLBSA-N 1 0 313.785 3.307 20 5 DGBDRO O=[N+]([O-])c1cccc(CN2CC[C@H](CF)C2)c1Br ZINC000711475150 660954474 /nfs/dbraw/zinc/95/44/74/660954474.db2.gz ILOAHFOCHKRXQM-SECBINFHSA-N 1 0 317.158 3.149 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000792941202 660995596 /nfs/dbraw/zinc/99/55/96/660995596.db2.gz SVBIZUJFQXZFGY-LJQANCHMSA-N 1 0 324.380 3.418 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000793396950 661029937 /nfs/dbraw/zinc/02/99/37/661029937.db2.gz SRYZDPDGTCSFMW-UHFFFAOYSA-N 1 0 305.334 3.268 20 5 DGBDRO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000795686693 661167812 /nfs/dbraw/zinc/16/78/12/661167812.db2.gz HXXFMOFEQSQCAF-BRWVUGGUSA-N 1 0 312.373 3.017 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934834321 655807833 /nfs/dbraw/zinc/80/78/33/655807833.db2.gz QAJFYGIIKTUQFX-GDBMZVCRSA-N 1 0 304.390 3.233 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCCCC1 ZINC000003538901 655947516 /nfs/dbraw/zinc/94/75/16/655947516.db2.gz XYOCCXTUQOPDFQ-CYBMUJFWSA-N 1 0 305.378 3.188 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]21 ZINC000178003109 655989528 /nfs/dbraw/zinc/98/95/28/655989528.db2.gz NLGFTDGLEWHMDR-WBMJQRKESA-N 1 0 323.824 3.164 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000715915079 661216026 /nfs/dbraw/zinc/21/60/26/661216026.db2.gz FWTREDACLJPTMT-BBRMVZONSA-N 1 0 322.405 3.425 20 5 DGBDRO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000262115846 657379820 /nfs/dbraw/zinc/37/98/20/657379820.db2.gz KEAXJMFJKXJVBO-SMDDNHRTSA-N 1 0 300.362 3.072 20 5 DGBDRO Cc1nn(CN(C)CCc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000172068019 659314573 /nfs/dbraw/zinc/31/45/73/659314573.db2.gz MZWZJRAYDCOLJC-UHFFFAOYSA-N 1 0 322.796 3.194 20 5 DGBDRO CC[C@H](CSC)[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179785884 659941791 /nfs/dbraw/zinc/94/17/91/659941791.db2.gz HSOHBOCROAULJS-GFCCVEGCSA-N 1 0 322.434 3.284 20 5 DGBDRO CCCCC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427230 659962513 /nfs/dbraw/zinc/96/25/13/659962513.db2.gz QYDWTIMOIBTFKP-KGLIPLIRSA-N 1 0 321.421 3.330 20 5 DGBDRO C[C@H]([NH2+]CCSc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000930234929 661381111 /nfs/dbraw/zinc/38/11/11/661381111.db2.gz IVNDLWWUZSVHBD-LBPRGKRZSA-N 1 0 303.387 3.433 20 5 DGBDRO C[N@H+](CCSc1ccncc1)CCc1ccccc1[N+](=O)[O-] ZINC000930438433 661398340 /nfs/dbraw/zinc/39/83/40/661398340.db2.gz AIMMVKISNQQBRG-UHFFFAOYSA-N 1 0 317.414 3.256 20 5 DGBDRO CC(C)(C)[C@H]1CSCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931597886 661491678 /nfs/dbraw/zinc/49/16/78/661491678.db2.gz XUVICOVCGCLBRJ-LSDHHAIUSA-N 1 0 324.446 3.092 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934333572 661698167 /nfs/dbraw/zinc/69/81/67/661698167.db2.gz WZTWJHDFFBEPLS-NSHDSACASA-N 1 0 321.377 3.255 20 5 DGBDRO C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC000934552200 661714267 /nfs/dbraw/zinc/71/42/67/661714267.db2.gz LQJYJAGLPPGXTA-CYBMUJFWSA-N 1 0 314.389 3.442 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(CC2CCC2)c1 ZINC000934553821 661714919 /nfs/dbraw/zinc/71/49/19/661714919.db2.gz LUILFTOJZODPCE-ZDUSSCGKSA-N 1 0 314.389 3.442 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934687525 661725494 /nfs/dbraw/zinc/72/54/94/661725494.db2.gz LRMJBGNYTQJGFA-QGZVFWFLSA-N 1 0 313.357 3.110 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934701954 661727847 /nfs/dbraw/zinc/72/78/47/661727847.db2.gz UKFTTWOKBHKLNV-INIZCTEOSA-N 1 0 301.321 3.370 20 5 DGBDRO O=C(CC[NH+]1CCCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000041886512 661837062 /nfs/dbraw/zinc/83/70/62/661837062.db2.gz WXBNQKQDJVPVRR-UHFFFAOYSA-N 1 0 305.378 3.190 20 5 DGBDRO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C(C1CC1)C1CC1 ZINC000195527149 662191290 /nfs/dbraw/zinc/19/12/90/662191290.db2.gz ACROCRYCPDVFQE-UHFFFAOYSA-N 1 0 300.362 3.022 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2ccccc2Cl)cc1 ZINC000037894580 662262445 /nfs/dbraw/zinc/26/24/45/662262445.db2.gz VUIAOQQFKOIYPN-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO Cc1ccc(C[N@@H+](C[C@H](C)O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000092974330 662342589 /nfs/dbraw/zinc/34/25/89/662342589.db2.gz PFTYTVHQXKNOGB-AWEZNQCLSA-N 1 0 306.406 3.419 20 5 DGBDRO Cc1ccc(C[N@@H+](C[C@@H](C)O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000092974329 662342618 /nfs/dbraw/zinc/34/26/18/662342618.db2.gz PFTYTVHQXKNOGB-CQSZACIVSA-N 1 0 306.406 3.419 20 5 DGBDRO C[NH+](C)CCCCCCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000140283964 685077957 /nfs/dbraw/zinc/07/79/57/685077957.db2.gz LKDZSTCMAONJCZ-UHFFFAOYSA-N 1 0 322.409 3.228 20 5 DGBDRO CC1(C)C[NH2+]CC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001576480646 1191828604 /nfs/dbraw/zinc/82/86/04/1191828604.db2.gz MNIDZYDNBYUTLN-GFCCVEGCSA-N 1 0 314.389 3.333 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC001617726559 1191876575 /nfs/dbraw/zinc/87/65/75/1191876575.db2.gz DJVBHUDYOJRVOY-CVEARBPZSA-N 1 0 306.406 3.321 20 5 DGBDRO CC[NH2+]C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001577821252 1191916386 /nfs/dbraw/zinc/91/63/86/1191916386.db2.gz FLGAYPAECIXAMF-UHFFFAOYSA-N 1 0 317.311 3.192 20 5 DGBDRO COc1cc(N[C@H](C)CCCC[NH3+])c(Cl)cc1[N+](=O)[O-] ZINC001579166183 1191968501 /nfs/dbraw/zinc/96/85/01/1191968501.db2.gz BQKDOQJFZMVFNV-SECBINFHSA-N 1 0 301.774 3.186 20 5 DGBDRO Cc1ccc(N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c([N+](=O)[O-])c1 ZINC001579714675 1191989056 /nfs/dbraw/zinc/98/90/56/1191989056.db2.gz DOJPHEVRHGSKNN-INIZCTEOSA-N 1 0 303.406 3.118 20 5 DGBDRO O=C(Nc1ccc2c(c1)C[NH2+]C2)c1cccc([N+](=O)[O-])c1Cl ZINC001580769790 1192040006 /nfs/dbraw/zinc/04/00/06/1192040006.db2.gz CKPKPTDIEGWUAQ-UHFFFAOYSA-N 1 0 317.732 3.104 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC001620814896 1192108716 /nfs/dbraw/zinc/10/87/16/1192108716.db2.gz FZBSOZISHXCQSX-LBPRGKRZSA-N 1 0 304.321 3.291 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc2cnccc21 ZINC001620874492 1192507661 /nfs/dbraw/zinc/50/76/61/1192507661.db2.gz SPKGSIVNHABWMK-UHFFFAOYSA-N 1 0 323.352 3.441 20 5 DGBDRO C[C@H](CO)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001331025423 1178114897 /nfs/dbraw/zinc/11/48/97/1178114897.db2.gz HCSVDHIWIHSFSI-OAHLLOKOSA-N 1 0 314.385 3.020 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331100013 1178134933 /nfs/dbraw/zinc/13/49/33/1178134933.db2.gz NQKOYXAXZIHSDB-ZDUSSCGKSA-N 1 0 314.389 3.285 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331568638 1178250307 /nfs/dbraw/zinc/25/03/07/1178250307.db2.gz IAVDVKMJKACXPV-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[N@H+](C)C1CC1 ZINC001332207244 1178393804 /nfs/dbraw/zinc/39/38/04/1178393804.db2.gz LNWZTPWERBBNHS-LLVKDONJSA-N 1 0 300.362 3.038 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCC(F)F)c1 ZINC001332796963 1178500539 /nfs/dbraw/zinc/50/05/39/1178500539.db2.gz LDZUMPGEFVUPOM-UHFFFAOYSA-N 1 0 310.247 3.331 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001333877668 1178688986 /nfs/dbraw/zinc/68/89/86/1178688986.db2.gz ZKKCBMLOQVCSLL-RWMBFGLXSA-N 1 0 323.824 3.415 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@H]2C1 ZINC001333877666 1178689088 /nfs/dbraw/zinc/68/90/88/1178689088.db2.gz ZKKCBMLOQVCSLL-JHJVBQTASA-N 1 0 323.824 3.415 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(C)(C)C1(C)C ZINC001334728415 1178787468 /nfs/dbraw/zinc/78/74/68/1178787468.db2.gz KSUWCWGGWKCVAX-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1(C)C ZINC001642878270 1194950435 /nfs/dbraw/zinc/95/04/35/1194950435.db2.gz XXWQYPACPKBMGA-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001346110771 1179655238 /nfs/dbraw/zinc/65/52/38/1179655238.db2.gz TZMVJGUCKAURAA-MSOLQXFVSA-N 1 0 312.369 3.214 20 5 DGBDRO C[C@@H](C(=O)O[C@@H](C)CC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001346706127 1179736782 /nfs/dbraw/zinc/73/67/82/1179736782.db2.gz GLKAKSAMVVMBFI-UONOGXRCSA-N 1 0 320.389 3.116 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2C[C@H](C)CC[NH2+]2)n1 ZINC001349006743 1179865377 /nfs/dbraw/zinc/86/53/77/1179865377.db2.gz XXNHWZWSDYYDPL-NOZJJQNGSA-N 1 0 316.361 3.322 20 5 DGBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001349838797 1179962503 /nfs/dbraw/zinc/96/25/03/1179962503.db2.gz JNMGEMISQSAKAS-RISCZKNCSA-N 1 0 320.389 3.292 20 5 DGBDRO Cc1cc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001355361888 1181043113 /nfs/dbraw/zinc/04/31/13/1181043113.db2.gz HNQPIIYEZZLOJC-RRFJBIMHSA-N 1 0 303.406 3.070 20 5 DGBDRO Cc1ccc([C@@H](C)NC(=O)[C@@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC001357322831 1181387415 /nfs/dbraw/zinc/38/74/15/1181387415.db2.gz VHYACLPTSIIQPY-CXAGYDPISA-N 1 0 321.421 3.092 20 5 DGBDRO Cc1cnc(N(CC(C)C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001458548617 1182537520 /nfs/dbraw/zinc/53/75/20/1182537520.db2.gz PDKNMURMFGPRCU-UHFFFAOYSA-N 1 0 320.437 3.102 20 5 DGBDRO C[NH+](C)C1(C)CCC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC001458550522 1182538984 /nfs/dbraw/zinc/53/89/84/1182538984.db2.gz TUFJEJDLROIPKH-UHFFFAOYSA-N 1 0 322.365 3.178 20 5 DGBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001458604132 1182543035 /nfs/dbraw/zinc/54/30/35/1182543035.db2.gz PEXBUYKGDLWQIW-GFCCVEGCSA-N 1 0 307.369 3.187 20 5 DGBDRO CC(C)(CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC001459702775 1182607465 /nfs/dbraw/zinc/60/74/65/1182607465.db2.gz ZISOZSGWAMPJTC-AWEZNQCLSA-N 1 0 318.421 3.302 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC[C@H](C2CC2)O1 ZINC001460004928 1182640106 /nfs/dbraw/zinc/64/01/06/1182640106.db2.gz KXNYSTNBBMUXNE-IAGOWNOFSA-N 1 0 304.390 3.027 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCCCCCCC1 ZINC001460106946 1182652746 /nfs/dbraw/zinc/65/27/46/1182652746.db2.gz BYCOINZVCPLAHN-UHFFFAOYSA-N 1 0 319.405 3.498 20 5 DGBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001460125027 1182654221 /nfs/dbraw/zinc/65/42/21/1182654221.db2.gz MFWZEEOUQAILFE-QCZZGDTMSA-N 1 0 312.797 3.397 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001460252606 1182667717 /nfs/dbraw/zinc/66/77/17/1182667717.db2.gz SWUZISNYYPFTNY-GFCCVEGCSA-N 1 0 308.378 3.103 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC001460608328 1182699654 /nfs/dbraw/zinc/69/96/54/1182699654.db2.gz ONGNMBFZCJIPKM-KRWDZBQOSA-N 1 0 316.405 3.395 20 5 DGBDRO Cc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001460750766 1182717213 /nfs/dbraw/zinc/71/72/13/1182717213.db2.gz ZYHYYSAWMKZGKI-ZDUSSCGKSA-N 1 0 313.357 3.193 20 5 DGBDRO COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001460766411 1182719213 /nfs/dbraw/zinc/71/92/13/1182719213.db2.gz ZMTPAXZHJFBIIH-APWZRJJASA-N 1 0 324.380 3.377 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CCO)C1CCCC1 ZINC001460850503 1182731392 /nfs/dbraw/zinc/73/13/92/1182731392.db2.gz HKZWPXQFNXLHIO-GUYCJALGSA-N 1 0 306.406 3.495 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCOCC23CCCC3)cccc1[N+](=O)[O-] ZINC001460965964 1182748077 /nfs/dbraw/zinc/74/80/77/1182748077.db2.gz MPBHGGFDAFXTOW-MRXNPFEDSA-N 1 0 304.390 3.342 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CCCC2)o1 ZINC001461003701 1182754233 /nfs/dbraw/zinc/75/42/33/1182754233.db2.gz ORVYYZUFCZGEHZ-UHFFFAOYSA-N 1 0 315.373 3.040 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc3[nH]ccc3c2)cc1 ZINC001461160837 1182774971 /nfs/dbraw/zinc/77/49/71/1182774971.db2.gz MQQKIDWMPVBMOK-UHFFFAOYSA-N 1 0 311.341 3.245 20 5 DGBDRO [NH3+]CCN(Cc1cccc2ccoc21)c1ccc([N+](=O)[O-])cc1 ZINC001462191869 1182921742 /nfs/dbraw/zinc/92/17/42/1182921742.db2.gz UGOYHEWHSSDALC-UHFFFAOYSA-N 1 0 311.341 3.306 20 5 DGBDRO [NH3+]CCN(C/C=C\c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001462192512 1182921751 /nfs/dbraw/zinc/92/17/51/1182921751.db2.gz YHCBDZJEXJYNBU-RQOWECAXSA-N 1 0 315.348 3.212 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C)CC(C)C ZINC001472650786 1183660948 /nfs/dbraw/zinc/66/09/48/1183660948.db2.gz MOCXXWSNNOMKGF-AWEZNQCLSA-N 1 0 308.426 3.467 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001472905769 1183698736 /nfs/dbraw/zinc/69/87/36/1183698736.db2.gz KEVAHEFVHGTQGW-AWEZNQCLSA-N 1 0 317.776 3.399 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1OC ZINC001473446103 1183757944 /nfs/dbraw/zinc/75/79/44/1183757944.db2.gz AEWUAQYZMGFBQP-HZPDHXFCSA-N 1 0 322.405 3.287 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCSCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001473445551 1183758445 /nfs/dbraw/zinc/75/84/45/1183758445.db2.gz PDDCHYNQDKWZEA-LBPRGKRZSA-N 1 0 310.419 3.321 20 5 DGBDRO CCCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473523087 1183769631 /nfs/dbraw/zinc/76/96/31/1183769631.db2.gz FYEGFVAEOMRKEC-ZDUSSCGKSA-N 1 0 307.394 3.434 20 5 DGBDRO Cc1cccnc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001473879715 1183817603 /nfs/dbraw/zinc/81/76/03/1183817603.db2.gz LSQOIOXPYFBKOE-CYBMUJFWSA-N 1 0 301.346 3.028 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)c1 ZINC001473884441 1183819125 /nfs/dbraw/zinc/81/91/25/1183819125.db2.gz IUQBFGJLVIRFDU-IAGOWNOFSA-N 1 0 320.389 3.007 20 5 DGBDRO C[NH+](C)C(C)(C)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001473911537 1183825631 /nfs/dbraw/zinc/82/56/31/1183825631.db2.gz HNIMNBKOHLRXNJ-UHFFFAOYSA-N 1 0 317.389 3.285 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)CCc2cccn2C)cc1[N+](=O)[O-] ZINC001474003626 1183848447 /nfs/dbraw/zinc/84/84/47/1183848447.db2.gz YSEBLVBKZGQPOR-CQSZACIVSA-N 1 0 301.390 3.353 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC001474231181 1183887156 /nfs/dbraw/zinc/88/71/56/1183887156.db2.gz UZCOZMURPNYUQT-INIZCTEOSA-N 1 0 317.433 3.318 20 5 DGBDRO CCC[C@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001474285340 1183895532 /nfs/dbraw/zinc/89/55/32/1183895532.db2.gz YQPQXZLKTVWTID-HNNXBMFYSA-N 1 0 318.373 3.496 20 5 DGBDRO CC[C@@H](C)[C@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC001474396684 1183914545 /nfs/dbraw/zinc/91/45/45/1183914545.db2.gz MRUPRGVRERUJBR-ABAIWWIYSA-N 1 0 314.813 3.441 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001474414008 1183917141 /nfs/dbraw/zinc/91/71/41/1183917141.db2.gz JABUCFVUQRDMKQ-OAHLLOKOSA-N 1 0 305.422 3.128 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CN(Cc3ccc4[nH]ccc4c3)C2)cc1 ZINC001474569859 1183942353 /nfs/dbraw/zinc/94/23/53/1183942353.db2.gz MWNWKAMCOKMWOJ-UHFFFAOYSA-N 1 0 323.352 3.339 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCCC2)c1[N+](=O)[O-] ZINC001474754737 1183973512 /nfs/dbraw/zinc/97/35/12/1183973512.db2.gz BPQNFWKQGMALAI-KBPBESRZSA-N 1 0 320.389 3.225 20 5 DGBDRO CC[C@@H](OC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001521119216 1186998399 /nfs/dbraw/zinc/99/83/99/1186998399.db2.gz ZOLCXODVLDCQCR-DUVNUKRYSA-N 1 0 320.389 3.319 20 5 DGBDRO CC(C)C[C@H]([NH3+])CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001521275818 1187011024 /nfs/dbraw/zinc/01/10/24/1187011024.db2.gz DLAHRFOSCXNXJJ-HNNXBMFYSA-N 1 0 321.421 3.095 20 5 DGBDRO CN(CC(C)(C)C[NH+](C)C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC001613036183 1193466331 /nfs/dbraw/zinc/46/63/31/1193466331.db2.gz CVYDNVYVXSVXRR-UHFFFAOYSA-N 1 0 316.405 3.167 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC001617361914 1193567158 /nfs/dbraw/zinc/56/71/58/1193567158.db2.gz ZSHHURIJYBIUGW-SLEUVZQESA-N 1 0 320.389 3.296 20 5 DGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001618010358 1193588882 /nfs/dbraw/zinc/58/88/82/1193588882.db2.gz DLXHGODBKSSEDS-JKSUJKDBSA-N 1 0 322.405 3.155 20 5 DGBDRO CC(C)(C(=O)Nc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1 ZINC001558590555 1189136172 /nfs/dbraw/zinc/13/61/72/1189136172.db2.gz QYTWYUHVCJZGPN-UHFFFAOYSA-N 1 0 324.340 3.159 20 5 DGBDRO CC[NH+](CC)CCN(CC(C)C)c1ncc(C)cc1[N+](=O)[O-] ZINC001559147751 1189175193 /nfs/dbraw/zinc/17/51/93/1189175193.db2.gz ILEKCGXJRYKRPP-UHFFFAOYSA-N 1 0 308.426 3.102 20 5 DGBDRO C[C@H]1[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001559283674 1189191665 /nfs/dbraw/zinc/19/16/65/1189191665.db2.gz SLYPGLWRFLMQSP-WPRPVWTQSA-N 1 0 303.284 3.118 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC001559572644 1189219641 /nfs/dbraw/zinc/21/96/41/1189219641.db2.gz GBARTESHSXYRGJ-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO C[C@H](c1ccccc1)N(CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001559663653 1189228470 /nfs/dbraw/zinc/22/84/70/1189228470.db2.gz KADVZIFXJIDASS-CYBMUJFWSA-N 1 0 318.348 3.289 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC2(CCC2)CO1 ZINC001559782703 1189241381 /nfs/dbraw/zinc/24/13/81/1189241381.db2.gz WTLCAJPQAZCOFQ-KRWDZBQOSA-N 1 0 318.417 3.418 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001559844840 1189249186 /nfs/dbraw/zinc/24/91/86/1189249186.db2.gz ZACAJFCWQVQFCC-GASCZTMLSA-N 1 0 304.390 3.486 20 5 DGBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001559965254 1189263524 /nfs/dbraw/zinc/26/35/24/1189263524.db2.gz XNUXENSUXNWBLE-XJKSGUPXSA-N 1 0 324.421 3.269 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC001560059276 1189273604 /nfs/dbraw/zinc/27/36/04/1189273604.db2.gz XWJXOAISZGFQPZ-CYBMUJFWSA-N 1 0 308.426 3.248 20 5 DGBDRO CC[C@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001560060688 1189274165 /nfs/dbraw/zinc/27/41/65/1189274165.db2.gz TXYOBHDSPGAXRA-KRWDZBQOSA-N 1 0 322.405 3.119 20 5 DGBDRO Cc1cccc(C)c1C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001560181797 1189288017 /nfs/dbraw/zinc/28/80/17/1189288017.db2.gz VKZJJCPVAJTODH-GOSISDBHSA-N 1 0 314.385 3.377 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001560201257 1189289636 /nfs/dbraw/zinc/28/96/36/1189289636.db2.gz HAQJLNWRVGEUFN-CQSZACIVSA-N 1 0 305.378 3.188 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@]12CCCOC2 ZINC001560238335 1189297587 /nfs/dbraw/zinc/29/75/87/1189297587.db2.gz LWUCADDNLSFOTB-KRWDZBQOSA-N 1 0 320.389 3.139 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](C)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001560265847 1189302327 /nfs/dbraw/zinc/30/23/27/1189302327.db2.gz HGLDHIOUURDTNX-KGLIPLIRSA-N 1 0 305.422 3.113 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1cccc([N+](=O)[O-])c1 ZINC001560274354 1189303347 /nfs/dbraw/zinc/30/33/47/1189303347.db2.gz IQKUCQKWJRWGKJ-LBPRGKRZSA-N 1 0 310.357 3.332 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC001560318969 1189310753 /nfs/dbraw/zinc/31/07/53/1189310753.db2.gz KLWMHGXGVCHADU-UHFFFAOYSA-N 1 0 319.386 3.227 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC001560487215 1189333081 /nfs/dbraw/zinc/33/30/81/1189333081.db2.gz BTPIAFBETIKOAR-INIZCTEOSA-N 1 0 306.406 3.182 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC001560571109 1189343266 /nfs/dbraw/zinc/34/32/66/1189343266.db2.gz HKMRAOPVQNQXIO-OAHLLOKOSA-N 1 0 322.405 3.288 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC001560667564 1189357892 /nfs/dbraw/zinc/35/78/92/1189357892.db2.gz LWLWWZPAISCJDO-CYBMUJFWSA-N 1 0 308.378 3.320 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC001560706635 1189362850 /nfs/dbraw/zinc/36/28/50/1189362850.db2.gz OISBUBGGGFGOIX-LLVKDONJSA-N 1 0 308.378 3.177 20 5 DGBDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001561003587 1189418466 /nfs/dbraw/zinc/41/84/66/1189418466.db2.gz CPPKQODZILBTLE-GFCCVEGCSA-N 1 0 314.341 3.232 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001563388003 1189511240 /nfs/dbraw/zinc/51/12/40/1189511240.db2.gz HBNWLWYZFTYGQC-CYBMUJFWSA-N 1 0 322.409 3.145 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cncc3ccccc32)cc1 ZINC001620772565 1191484956 /nfs/dbraw/zinc/48/49/56/1191484956.db2.gz KOFSRBNWBASKAL-UHFFFAOYSA-N 1 0 323.352 3.312 20 5 DGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC001618654406 1193746031 /nfs/dbraw/zinc/74/60/31/1193746031.db2.gz UORUHSBQYIQQDS-HUUCEWRRSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H](NCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001620554667 1193778858 /nfs/dbraw/zinc/77/88/58/1193778858.db2.gz UQUUTEBHPREXAS-KKUMJFAQSA-N 1 0 305.422 3.223 20 5 DGBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001620583453 1193781387 /nfs/dbraw/zinc/78/13/87/1193781387.db2.gz LPHMMMXCURBIEO-CYBMUJFWSA-N 1 0 321.396 3.183 20 5 DGBDRO CC(C)c1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001621108429 1193803890 /nfs/dbraw/zinc/80/38/90/1193803890.db2.gz OUUBKJKDWAIGTH-HYVNUMGLSA-N 1 0 317.433 3.148 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2c1OCC2 ZINC001621278873 1193826794 /nfs/dbraw/zinc/82/67/94/1193826794.db2.gz FFIQVXZJNYUHFB-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001621334597 1193830626 /nfs/dbraw/zinc/83/06/26/1193830626.db2.gz QLCPTEQVYNLQNK-CYBMUJFWSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1ccsc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001639363252 1194761951 /nfs/dbraw/zinc/76/19/51/1194761951.db2.gz DAJHRUQDSQXIIO-UHFFFAOYSA-N 1 0 309.435 3.359 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001639985163 1194789691 /nfs/dbraw/zinc/78/96/91/1194789691.db2.gz GRDWYEUEFHVDBU-CYBMUJFWSA-N 1 0 324.425 3.309 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1F ZINC001640526050 1194818484 /nfs/dbraw/zinc/81/84/84/1194818484.db2.gz YBJIGJOFYQGKHU-RHSMWYFYSA-N 1 0 321.396 3.433 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCCN(CCF)C1 ZINC001642866601 1194949461 /nfs/dbraw/zinc/94/94/61/1194949461.db2.gz XXBONKOHGRQDPK-NSHDSACASA-N 1 0 301.749 3.094 20 5 DGBDRO CC[N@H+](CCCNc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC001642898491 1194951935 /nfs/dbraw/zinc/95/19/35/1194951935.db2.gz JANASTAIUUGVQD-UHFFFAOYSA-N 1 0 306.410 3.446 20 5 DGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001642933059 1194954461 /nfs/dbraw/zinc/95/44/61/1194954461.db2.gz ZFHLZOOEAGVKIA-LBPRGKRZSA-N 1 0 317.393 3.003 20 5 DGBDRO COCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC001642938218 1194955306 /nfs/dbraw/zinc/95/53/06/1194955306.db2.gz NUSKTSKFSNHKIC-WFASDCNBSA-N 1 0 310.369 3.371 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC001643115265 1194996396 /nfs/dbraw/zinc/99/63/96/1194996396.db2.gz CGUIVQOYIJJOFN-AWEZNQCLSA-N 1 0 312.373 3.013 20 5 DGBDRO Cc1ccc(NCCNc2nccc3c2cccc3[N+](=O)[O-])nc1 ZINC001643220217 1195006034 /nfs/dbraw/zinc/00/60/34/1195006034.db2.gz RBNOABBWPRTKTN-UHFFFAOYSA-N 1 0 323.356 3.370 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1OC ZINC001645511300 1195190659 /nfs/dbraw/zinc/19/06/59/1195190659.db2.gz UUZADFHSELECQR-CVEARBPZSA-N 1 0 322.405 3.287 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001646421104 1195227814 /nfs/dbraw/zinc/22/78/14/1195227814.db2.gz WMFAVIVSRKRSOI-ZFWWWQNUSA-N 1 0 320.389 3.247 20 5 DGBDRO CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC001647037378 1195242568 /nfs/dbraw/zinc/24/25/68/1195242568.db2.gz RKSJEGWYRWUKJT-UHFFFAOYSA-N 1 0 300.305 3.476 20 5 DGBDRO CCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC001647036635 1195242723 /nfs/dbraw/zinc/24/27/23/1195242723.db2.gz PERDKAFMCPTWJY-UHFFFAOYSA-N 1 0 300.305 3.476 20 5 DGBDRO CC(C)[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC001648069868 1195274766 /nfs/dbraw/zinc/27/47/66/1195274766.db2.gz NELAZUFPELLYSM-OAHLLOKOSA-N 1 0 311.813 3.020 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(CO)CCCCCCC2)cc1 ZINC001648081816 1195275522 /nfs/dbraw/zinc/27/55/22/1195275522.db2.gz KPSCIIQRZRDZSH-UHFFFAOYSA-N 1 0 306.406 3.202 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCc2c1cccc2F ZINC001648349242 1195293847 /nfs/dbraw/zinc/29/38/47/1195293847.db2.gz RDNFLQQPTBZTRW-HNNXBMFYSA-N 1 0 316.332 3.390 20 5 DGBDRO CC[NH+](CC)[C@H](C)CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001651034265 1195406757 /nfs/dbraw/zinc/40/67/57/1195406757.db2.gz BBTUTDASARQMCW-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO C[NH2+]C1(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CCC1 ZINC001651075621 1195411019 /nfs/dbraw/zinc/41/10/19/1195411019.db2.gz VYWRHXCSQZHDCF-UHFFFAOYSA-N 1 0 303.284 3.168 20 5 DGBDRO Cc1cc(N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c(F)cc1[N+](=O)[O-] ZINC001651240797 1195431209 /nfs/dbraw/zinc/43/12/09/1195431209.db2.gz SMDYNWFPNGCWDO-GJZGRUSLSA-N 1 0 307.369 3.327 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccccc1[N+](=O)[O-] ZINC001651509755 1195472646 /nfs/dbraw/zinc/47/26/46/1195472646.db2.gz PRDRWYYKKYJHLL-YOEHRIQHSA-N 1 0 303.406 3.294 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccccc1[N+](=O)[O-] ZINC001651513547 1195474040 /nfs/dbraw/zinc/47/40/40/1195474040.db2.gz ZEGFCYMFQBLKPW-GFCCVEGCSA-N 1 0 310.357 3.332 20 5 DGBDRO C[C@@H]1CCC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001652364612 1195587692 /nfs/dbraw/zinc/58/76/92/1195587692.db2.gz SKHQVWVQGPNAHW-CJNGLKHVSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1ccc(CCN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1C ZINC001652407212 1195593700 /nfs/dbraw/zinc/59/37/00/1195593700.db2.gz KQBZXZHOGFGAOT-UHFFFAOYSA-N 1 0 313.401 3.219 20 5 DGBDRO C[C@H]1CCCC[C@@H]1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001652628322 1195628404 /nfs/dbraw/zinc/62/84/04/1195628404.db2.gz NAOQYVOKFGBLHY-UONOGXRCSA-N 1 0 304.390 3.484 20 5 DGBDRO CCC1(CC)CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001652689108 1195636777 /nfs/dbraw/zinc/63/67/77/1195636777.db2.gz GJQFLGMOXBCMHO-UHFFFAOYSA-N 1 0 322.405 3.494 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c1 ZINC001653366495 1195715236 /nfs/dbraw/zinc/71/52/36/1195715236.db2.gz IVKRETKLIRFZCA-TYNCELHUSA-N 1 0 320.389 3.296 20 5 DGBDRO CCC1(CC)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001653562048 1195734267 /nfs/dbraw/zinc/73/42/67/1195734267.db2.gz ZLRGBJULNYCIQB-CYBMUJFWSA-N 1 0 319.405 3.434 20 5 DGBDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001653672937 1195742721 /nfs/dbraw/zinc/74/27/21/1195742721.db2.gz PWWQNTWQIWAEGI-QGZVFWFLSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC1CCC([N@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001654359146 1195796544 /nfs/dbraw/zinc/79/65/44/1195796544.db2.gz JGRJGKYCUMBFDN-UHFFFAOYSA-N 1 0 320.433 3.400 20 5 DGBDRO C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC001654499005 1195810286 /nfs/dbraw/zinc/81/02/86/1195810286.db2.gz MDURCIAGTHGTED-UHFFFAOYSA-N 1 0 303.406 3.045 20 5 DGBDRO CC(C)[C@@H](O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001654498742 1195810533 /nfs/dbraw/zinc/81/05/33/1195810533.db2.gz HXFVNCFJSQZICD-RDJZCZTQSA-N 1 0 306.406 3.181 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@H+](Cc2ccoc2)C2CC2)c1 ZINC001654909193 1195853191 /nfs/dbraw/zinc/85/31/91/1195853191.db2.gz GDWUFNPQCFHASL-UHFFFAOYSA-N 1 0 302.330 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+]C2([C@@H]3CCCO3)CCC2)cc1 ZINC001655101364 1195876828 /nfs/dbraw/zinc/87/68/28/1195876828.db2.gz LLYQXWAUFQOOMY-INIZCTEOSA-N 1 0 320.389 3.055 20 5 DGBDRO Cc1ccc(C[NH2+]CCn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC001655433573 1195916346 /nfs/dbraw/zinc/91/63/46/1195916346.db2.gz DOZFGLOFPNOEQO-UHFFFAOYSA-N 1 0 310.357 3.043 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC001655555525 1195931267 /nfs/dbraw/zinc/93/12/67/1195931267.db2.gz SCEMJLPOAGZMIT-STQMWFEESA-N 1 0 313.357 3.273 20 5 DGBDRO C[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001655801536 1195964347 /nfs/dbraw/zinc/96/43/47/1195964347.db2.gz IPLCCGUIPCUKEG-AWEZNQCLSA-N 1 0 311.813 3.415 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@@]23CCOC3)cc1 ZINC001655904871 1195975852 /nfs/dbraw/zinc/97/58/52/1195975852.db2.gz DPYREHCUOMYFSZ-KRWDZBQOSA-N 1 0 320.389 3.009 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)C2(C)CC2)cccc1[N+](=O)[O-] ZINC001656376983 1196034284 /nfs/dbraw/zinc/03/42/84/1196034284.db2.gz JQBIAQRQEJKIOF-LBPRGKRZSA-N 1 0 305.378 3.010 20 5 DGBDRO CCC[C@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC001656483341 1196043549 /nfs/dbraw/zinc/04/35/49/1196043549.db2.gz PKSVOPPYGYRWDZ-KRWDZBQOSA-N 1 0 316.405 3.405 20 5 DGBDRO COc1cccc(O[C@@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001656596054 1196053503 /nfs/dbraw/zinc/05/35/03/1196053503.db2.gz UDVFAPWIDJHUKR-ZDUSSCGKSA-N 1 0 316.357 3.161 20 5 DGBDRO Cc1c(CNC[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC001656897223 1196081420 /nfs/dbraw/zinc/08/14/20/1196081420.db2.gz WHPQUJPQYIMHEE-AWEZNQCLSA-N 1 0 305.422 3.115 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C/C=C/c2ccc(F)cc2)cc1 ZINC001657109488 1196107013 /nfs/dbraw/zinc/10/70/13/1196107013.db2.gz YQDOQDQNEBRGHW-OWOJBTEDSA-N 1 0 316.332 3.416 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnn3ccccc23)cc1 ZINC001657336870 1196131868 /nfs/dbraw/zinc/13/18/68/1196131868.db2.gz FOUPSQLOCSMKLI-UHFFFAOYSA-N 1 0 324.384 3.355 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC001657525655 1196151555 /nfs/dbraw/zinc/15/15/55/1196151555.db2.gz DDEYXRQNEIWMRD-UBHSHLNASA-N 1 0 320.389 3.320 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001657642930 1196164929 /nfs/dbraw/zinc/16/49/29/1196164929.db2.gz ZRAMTSKTTZDUSF-UHFFFAOYSA-N 1 0 311.341 3.375 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)c1nccs1 ZINC001657760052 1196175573 /nfs/dbraw/zinc/17/55/73/1196175573.db2.gz QRTHGHXTBZMJSS-NSHDSACASA-N 1 0 321.402 3.343 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1O ZINC001657879552 1196189958 /nfs/dbraw/zinc/18/99/58/1196189958.db2.gz MJMNJVVDWBXGPF-XQQFMLRXSA-N 1 0 322.405 3.471 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC001658217359 1196225605 /nfs/dbraw/zinc/22/56/05/1196225605.db2.gz DTUCULIKMHWZEM-CYBMUJFWSA-N 1 0 317.433 3.128 20 5 DGBDRO COC(=O)[C@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)CC(C)C ZINC001658237000 1196228239 /nfs/dbraw/zinc/22/82/39/1196228239.db2.gz BPEBIUIBZAERIR-AWEZNQCLSA-N 1 0 322.405 3.137 20 5 DGBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001658340939 1196244754 /nfs/dbraw/zinc/24/47/54/1196244754.db2.gz HDHLECLTQZFDDQ-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)(C)OC(=O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001658703655 1196289887 /nfs/dbraw/zinc/28/98/87/1196289887.db2.gz YHTPUKHIQLNBCQ-CQSZACIVSA-N 1 0 320.389 3.116 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCC1CC1 ZINC001658727453 1196293504 /nfs/dbraw/zinc/29/35/04/1196293504.db2.gz WHWVFYJLWSAALQ-ZDUSSCGKSA-N 1 0 319.405 3.482 20 5 DGBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001658967646 1196325548 /nfs/dbraw/zinc/32/55/48/1196325548.db2.gz LTKVILUONZRJAE-AWEZNQCLSA-N 1 0 320.389 3.129 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001659093302 1196343263 /nfs/dbraw/zinc/34/32/63/1196343263.db2.gz UPCWUSFBWXONFM-CHWSQXEVSA-N 1 0 308.378 3.103 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC001659104072 1196345553 /nfs/dbraw/zinc/34/55/53/1196345553.db2.gz KUXHZMKXZZOJFF-RYUDHWBXSA-N 1 0 308.378 3.320 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC001659266278 1196365258 /nfs/dbraw/zinc/36/52/58/1196365258.db2.gz VGIYIEYUEBTTOH-RDJZCZTQSA-N 1 0 320.433 3.441 20 5 DGBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCCCC1 ZINC001659375861 1196377079 /nfs/dbraw/zinc/37/70/79/1196377079.db2.gz AVQSUGUSGQDUGE-LRVUVFPRSA-N 1 0 306.410 3.443 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001659422319 1196382232 /nfs/dbraw/zinc/38/22/32/1196382232.db2.gz MTHYAGMSDQHWMA-LLLHUVSDSA-N 1 0 318.417 3.463 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001659563643 1196395826 /nfs/dbraw/zinc/39/58/26/1196395826.db2.gz XRJXTJXYZYKBAS-MRXNPFEDSA-N 1 0 320.437 3.392 20 5 DGBDRO Cc1c(CN2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001660369700 1196476283 /nfs/dbraw/zinc/47/62/83/1196476283.db2.gz JSWMYLVUOSDNAR-RHSMWYFYSA-N 1 0 319.449 3.455 20 5 DGBDRO Cc1c(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC001661991709 1196673168 /nfs/dbraw/zinc/67/31/68/1196673168.db2.gz OLCHDKYCKYOEDV-INIZCTEOSA-N 1 0 319.449 3.361 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc2ncccc12 ZINC001662034354 1196676417 /nfs/dbraw/zinc/67/64/17/1196676417.db2.gz FPLDKRBBUVAGCL-UHFFFAOYSA-N 1 0 323.352 3.441 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1Cc2ccccc2C1 ZINC001662155339 1196687497 /nfs/dbraw/zinc/68/74/97/1196687497.db2.gz JQFCUCYOADUKKV-UHFFFAOYSA-N 1 0 312.369 3.251 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001664118717 1196972781 /nfs/dbraw/zinc/97/27/81/1196972781.db2.gz UKEWTOXPQLVATQ-OAGGEKHMSA-N 1 0 315.417 3.153 20 5 DGBDRO Cc1cccc(NCC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001665724028 1197181246 /nfs/dbraw/zinc/18/12/46/1197181246.db2.gz UYQGNOHDDICAIU-UHFFFAOYSA-N 1 0 320.780 3.153 20 5 DGBDRO c1nnc(CC[NH2+]Cc2c3ccccc3cc3ccccc32)[nH]1 ZINC000119016462 1199999951 /nfs/dbraw/zinc/99/99/51/1199999951.db2.gz YSQIFJOHVARJSO-UHFFFAOYSA-N 1 0 302.381 3.443 20 5 DGBDRO CC(C)[C@H]([NH3+])CCN(C)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000156797302 1202601322 /nfs/dbraw/zinc/60/13/22/1202601322.db2.gz AXZOHUYRHZHVBT-GFCCVEGCSA-N 1 0 301.337 3.342 20 5 DGBDRO Cc1ccc2c(ccnc2NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC001169558434 1081590653 /nfs/dbraw/zinc/59/06/53/1081590653.db2.gz CKSNVTGDGKPEDT-GFCCVEGCSA-N 1 0 300.362 3.005 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167070991 1081635720 /nfs/dbraw/zinc/63/57/20/1081635720.db2.gz LOIMDCGCBKLMIT-UHFFFAOYSA-N 1 0 324.384 3.071 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(NCC34CC[NH+](CC3)CC4)ccc2c1 ZINC001169793465 1081656394 /nfs/dbraw/zinc/65/63/94/1081656394.db2.gz RGHOUGZFGZQRMV-UHFFFAOYSA-N 1 0 312.373 3.041 20 5 DGBDRO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc([N+](=O)[O-])c1 ZINC001648794219 1081772321 /nfs/dbraw/zinc/77/23/21/1081772321.db2.gz CQQSZMRCRSHKSS-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C)cn2)c([N+](=O)[O-])c1 ZINC001170294605 1082337170 /nfs/dbraw/zinc/33/71/70/1082337170.db2.gz BVATVIQPIWGELN-CYBMUJFWSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cnc(C)s2)c([N+](=O)[O-])c1 ZINC001170298333 1082338100 /nfs/dbraw/zinc/33/81/00/1082338100.db2.gz JDVKRBSNZNBXEJ-JTQLQIEISA-N 1 0 321.402 3.089 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170299747 1082338276 /nfs/dbraw/zinc/33/82/76/1082338276.db2.gz WBVXDUSWQAQLET-BNOWGMLFSA-N 1 0 310.369 3.405 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccnc(C)c2)c([N+](=O)[O-])c1 ZINC001170298771 1082338527 /nfs/dbraw/zinc/33/85/27/1082338527.db2.gz NYSYMJCFRQXUMS-ZDUSSCGKSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccsc2)c([N+](=O)[O-])c1 ZINC001170300089 1082338569 /nfs/dbraw/zinc/33/85/69/1082338569.db2.gz WUHURSWQUFZLTF-NSHDSACASA-N 1 0 306.387 3.386 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]CCOC2CCCC2)c([N+](=O)[O-])c1 ZINC001170318918 1082345636 /nfs/dbraw/zinc/34/56/36/1082345636.db2.gz SIAAGSBBLMBDDW-CYBMUJFWSA-N 1 0 322.405 3.083 20 5 DGBDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC001170324869 1082346622 /nfs/dbraw/zinc/34/66/22/1082346622.db2.gz TUUFHSGCWWCHRB-JKSUJKDBSA-N 1 0 304.390 3.293 20 5 DGBDRO CC1(C)CCC[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC001167647290 1082640988 /nfs/dbraw/zinc/64/09/88/1082640988.db2.gz LPANXFOTDLZOHG-MRXNPFEDSA-N 1 0 304.390 3.301 20 5 DGBDRO Cc1cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c([N+](=O)[O-])cc1Cl ZINC001217981783 1082981859 /nfs/dbraw/zinc/98/18/59/1082981859.db2.gz QKZBPLYCLIPAAZ-GXFFZTMASA-N 1 0 302.733 3.026 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC001181672244 1083513375 /nfs/dbraw/zinc/51/33/75/1083513375.db2.gz GXSLJGROLHELCM-GOEBONIOSA-N 1 0 317.433 3.270 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)OC(Cl)(Cl)c1cccc(Cl)n1 ZINC001222867328 1083849373 /nfs/dbraw/zinc/84/93/73/1083849373.db2.gz WEDFIYOBBGDRMG-VIFPVBQESA-N 1 0 312.648 3.434 20 5 DGBDRO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001183238966 1083902651 /nfs/dbraw/zinc/90/26/51/1083902651.db2.gz QONDKQAHECYDHO-ZIAGYGMSSA-N 1 0 312.797 3.277 20 5 DGBDRO [NH3+]Cc1nccnc1Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001185029040 1084328398 /nfs/dbraw/zinc/32/83/98/1084328398.db2.gz MWCAZVXKPZGKLW-UHFFFAOYSA-N 1 0 322.324 3.303 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1(C)C ZINC001186791210 1084703822 /nfs/dbraw/zinc/70/38/22/1084703822.db2.gz LTSYWSQQDBULFU-CABCVRRESA-N 1 0 314.389 3.284 20 5 DGBDRO COc1ccc(Br)c(O[C@H](C)C[N+](C)(C)C)c1F ZINC001234308239 1087864969 /nfs/dbraw/zinc/86/49/69/1087864969.db2.gz DXROGDSCCPDYOI-SECBINFHSA-N 1 0 321.210 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(NCC[C@H]3CCC[NH2+]3)c2c1 ZINC001158626908 1087949526 /nfs/dbraw/zinc/94/95/26/1087949526.db2.gz JAFOVVVYMBYWST-SNVBAGLBSA-N 1 0 320.780 3.350 20 5 DGBDRO [NH3+]Cc1ccn(-c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c1 ZINC001158767681 1088015804 /nfs/dbraw/zinc/01/58/04/1088015804.db2.gz XLLRBVLVYKSTNH-UHFFFAOYSA-N 1 0 312.304 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc2ccc(NCC34CC[NH+](CC3)CC4)nc2c1 ZINC001158824779 1088052509 /nfs/dbraw/zinc/05/25/09/1088052509.db2.gz WDHLCBPEXJKVLW-UHFFFAOYSA-N 1 0 312.373 3.041 20 5 DGBDRO N=C(NC(=O)c1c2ccccc2cc2ccccc21)SCC[NH3+] ZINC001153499760 1088262704 /nfs/dbraw/zinc/26/27/04/1088262704.db2.gz VSYRZQKPJJEGRQ-UHFFFAOYSA-N 1 0 323.421 3.349 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001160394665 1088780073 /nfs/dbraw/zinc/78/00/73/1088780073.db2.gz LSXMZNICNOSPIU-BLLLJJGKSA-N 1 0 311.341 3.095 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001160394667 1088780922 /nfs/dbraw/zinc/78/09/22/1088780922.db2.gz LSXMZNICNOSPIU-MLGOLLRUSA-N 1 0 311.341 3.095 20 5 DGBDRO Cc1ccc(Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)c([N+](=O)[O-])c1 ZINC001160399789 1088784275 /nfs/dbraw/zinc/78/42/75/1088784275.db2.gz NJXZTNLAOUYCQQ-MEDUHNTESA-N 1 0 311.341 3.095 20 5 DGBDRO [NH3+]Cc1cccc2ccn(-c3cc(Cl)cc([N+](=O)[O-])n3)c21 ZINC001160456383 1088813894 /nfs/dbraw/zinc/81/38/94/1088813894.db2.gz HAPNQPPAUHDVJY-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001154983677 1088871439 /nfs/dbraw/zinc/87/14/39/1088871439.db2.gz ALVQZIVNFJZCKS-VHSXEESVSA-N 1 0 320.780 3.478 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001154989008 1088876412 /nfs/dbraw/zinc/87/64/12/1088876412.db2.gz IFOPPGIDAAZLDH-QWRGUYRKSA-N 1 0 320.780 3.478 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001155024892 1088902218 /nfs/dbraw/zinc/90/22/18/1088902218.db2.gz JYDZTVWWWABQEB-STQMWFEESA-N 1 0 314.389 3.191 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)nc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC001161181097 1089144460 /nfs/dbraw/zinc/14/44/60/1089144460.db2.gz LRJYWXIFBGVLCO-LBPRGKRZSA-N 1 0 324.812 3.320 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCCCC[NH+](C)C ZINC001161736036 1089379460 /nfs/dbraw/zinc/37/94/60/1089379460.db2.gz KKYQUUOZRYRDMP-UHFFFAOYSA-N 1 0 309.410 3.444 20 5 DGBDRO C[N@@H+]1CCC[C@](C)(Nc2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001162341144 1089682795 /nfs/dbraw/zinc/68/27/95/1089682795.db2.gz IZNCNFVTZLIBNN-LBPRGKRZSA-N 1 0 319.192 3.193 20 5 DGBDRO C[N@@H+]1CCC[C@@](C)(Nc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001162341328 1089683681 /nfs/dbraw/zinc/68/36/81/1089683681.db2.gz KPFFTUOUUJSGJF-MRXNPFEDSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001162456577 1089741921 /nfs/dbraw/zinc/74/19/21/1089741921.db2.gz JQCCMPWJYHKDOG-AAEUAGOBSA-N 1 0 302.378 3.124 20 5 DGBDRO CCOc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC001162472056 1089750207 /nfs/dbraw/zinc/75/02/07/1089750207.db2.gz UNPJULKVMZXWAE-CHWSQXEVSA-N 1 0 307.394 3.041 20 5 DGBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001157019168 1089786531 /nfs/dbraw/zinc/78/65/31/1089786531.db2.gz DDOCIDFLHLZFNK-CQSZACIVSA-N 1 0 314.389 3.062 20 5 DGBDRO CC[NH+](CC)CCSc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001162590657 1089814438 /nfs/dbraw/zinc/81/44/38/1089814438.db2.gz DFQFCACFIZROQH-UHFFFAOYSA-N 1 0 309.435 3.303 20 5 DGBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001162758431 1089930490 /nfs/dbraw/zinc/93/04/90/1089930490.db2.gz IPICOWPZBVAWGZ-QMMMGPOBSA-N 1 0 317.736 3.002 20 5 DGBDRO Cc1cc(NC2(C)CC[NH2+]CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001157396855 1089946433 /nfs/dbraw/zinc/94/64/33/1089946433.db2.gz JOHPTIHXYXHGCT-UHFFFAOYSA-N 1 0 300.362 3.005 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(NCc2ccc3c(c2)CC[NH2+]C3)c1F ZINC001162815955 1089974196 /nfs/dbraw/zinc/97/41/96/1089974196.db2.gz SJBRDPWFDCLVLI-UHFFFAOYSA-N 1 0 315.348 3.300 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2cc3cccnc3c([N+](=O)[O-])c2)C1 ZINC001162849108 1089990536 /nfs/dbraw/zinc/99/05/36/1089990536.db2.gz KQKFPOXTDMLCCX-AWEZNQCLSA-N 1 0 320.352 3.165 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162978146 1090043923 /nfs/dbraw/zinc/04/39/23/1090043923.db2.gz RBVJSSZWAWSRJU-FUHWJXTLSA-N 1 0 324.384 3.353 20 5 DGBDRO O=[N+]([O-])c1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)ccc1C(F)(F)F ZINC001162984670 1090046774 /nfs/dbraw/zinc/04/67/74/1090046774.db2.gz PGGFHKVOZAUMGR-QWHCGFSZSA-N 1 0 315.295 3.310 20 5 DGBDRO CC1([NH+]2CCCC2)CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001157651970 1090057824 /nfs/dbraw/zinc/05/78/24/1090057824.db2.gz DSNMMPHTNKBKAN-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001163035307 1090058413 /nfs/dbraw/zinc/05/84/13/1090058413.db2.gz KYRMGWZQYKVPBF-UHFFFAOYSA-N 1 0 317.393 3.248 20 5 DGBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001157746772 1090095984 /nfs/dbraw/zinc/09/59/84/1090095984.db2.gz NOKVOKIFXCLFQM-KOLCDFICSA-N 1 0 320.780 3.112 20 5 DGBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]Cc3ccsc32)cc2cc[nH]c21 ZINC001163229925 1090126511 /nfs/dbraw/zinc/12/65/11/1090126511.db2.gz SBWFCDDLJBCZLP-GFCCVEGCSA-N 1 0 314.370 3.394 20 5 DGBDRO [NH3+]C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])c1ccccc1 ZINC001163297693 1090142217 /nfs/dbraw/zinc/14/22/17/1090142217.db2.gz JZEDAPQHLGXTEN-OAHLLOKOSA-N 1 0 308.341 3.255 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Nc2nccc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC001163357830 1090160675 /nfs/dbraw/zinc/16/06/75/1090160675.db2.gz MJBLVRUTEWGFDQ-JQWIXIFHSA-N 1 0 312.801 3.174 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC001163358622 1090162382 /nfs/dbraw/zinc/16/23/82/1090162382.db2.gz WHFBFYXVJKCGMH-GXFFZTMASA-N 1 0 312.801 3.174 20 5 DGBDRO C[NH+](C)Cc1cccc(CNc2cnc(Cl)cc2[N+](=O)[O-])c1 ZINC001163992797 1090309993 /nfs/dbraw/zinc/30/99/93/1090309993.db2.gz DFWGVZOOJJKWAP-UHFFFAOYSA-N 1 0 320.780 3.317 20 5 DGBDRO CC[NH+]1CCC(N(C)c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001165069465 1090459488 /nfs/dbraw/zinc/45/94/88/1090459488.db2.gz IVMSPDUWEIVBBS-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO CC(C)[N@@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC001165199647 1090478549 /nfs/dbraw/zinc/47/85/49/1090478549.db2.gz GJIWXILFAWHETL-CYBMUJFWSA-N 1 0 314.389 3.062 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(N3CC[C@]4(C3)CCC[NH2+]C4)nc12 ZINC001165235953 1090485631 /nfs/dbraw/zinc/48/56/31/1090485631.db2.gz AXJRPDWOYVWNBM-HXUWFJFHSA-N 1 0 318.424 3.363 20 5 DGBDRO [NH3+]CC[C@H]1CN(c2ccc3c([N+](=O)[O-])c[nH]c3n2)c2ccccc21 ZINC001168544535 1090525043 /nfs/dbraw/zinc/52/50/43/1090525043.db2.gz JFMNMCRKESVKSZ-NSHDSACASA-N 1 0 323.356 3.055 20 5 DGBDRO COc1cccc(NCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001166616125 1090629946 /nfs/dbraw/zinc/62/99/46/1090629946.db2.gz USPWJOVTERNRLN-UHFFFAOYSA-N 1 0 307.394 3.136 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CCNc3ccccc31)C[NH2+]C2 ZINC001168644022 1090656973 /nfs/dbraw/zinc/65/69/73/1090656973.db2.gz GVWYOMWOMMRPPH-OAHLLOKOSA-N 1 0 310.357 3.167 20 5 DGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC[C@@H]3C[C@H]3C3CC3)CC2)c1 ZINC001167007889 1090692625 /nfs/dbraw/zinc/69/26/25/1090692625.db2.gz WICNGPLAXVDNDT-QAPCUYQASA-N 1 0 315.417 3.153 20 5 DGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1)C(C)(C)C ZINC001168686622 1090742890 /nfs/dbraw/zinc/74/28/90/1090742890.db2.gz ROKGJPDNEDIEKX-LBPRGKRZSA-N 1 0 309.410 3.382 20 5 DGBDRO C[NH+](C)CCCCNc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001161730925 1090986931 /nfs/dbraw/zinc/98/69/31/1090986931.db2.gz JRAFLEGYEUXPDP-UHFFFAOYSA-N 1 0 305.300 3.367 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)(C)C ZINC001117804731 1091073891 /nfs/dbraw/zinc/07/38/91/1091073891.db2.gz PKHYJAHPJFCADJ-UHFFFAOYSA-N 1 0 311.357 3.183 20 5 DGBDRO CC(C)N(CCC[NH3+])c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001156124288 1092308837 /nfs/dbraw/zinc/30/88/37/1092308837.db2.gz QIBLVIGNLIFRQM-UHFFFAOYSA-N 1 0 322.796 3.360 20 5 DGBDRO CC(C)(C)CCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001168788941 1092346569 /nfs/dbraw/zinc/34/65/69/1092346569.db2.gz BTVJYZIAUROZPS-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO [NH3+][C@@H]1CCc2nn(-c3nc4ccccc4c4ccccc43)cc2C1 ZINC001168817967 1092364659 /nfs/dbraw/zinc/36/46/59/1092364659.db2.gz NJVPUZRWLYPERN-CQSZACIVSA-N 1 0 314.392 3.390 20 5 DGBDRO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978032 1092457110 /nfs/dbraw/zinc/45/71/10/1092457110.db2.gz NWBLFKAQIGVUHF-XHSDSOJGSA-N 1 0 306.406 3.106 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nccs3)cc2)C1 ZINC001168986193 1092462162 /nfs/dbraw/zinc/46/21/62/1092462162.db2.gz WXBOHYQOUACAFW-DZGCQCFKSA-N 1 0 317.414 3.345 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC001168955759 1092462559 /nfs/dbraw/zinc/46/25/59/1092462559.db2.gz CBHXEOGZWPXIHZ-WCQYABFASA-N 1 0 302.296 3.240 20 5 DGBDRO Cc1ccc(Cl)c(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1F ZINC001168963953 1092466175 /nfs/dbraw/zinc/46/61/75/1092466175.db2.gz QVRSPTSSIZNFBX-WDEREUQCSA-N 1 0 300.761 3.323 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC001168966560 1092468725 /nfs/dbraw/zinc/46/87/25/1092468725.db2.gz JMNJZHIEHPIHJL-NEPJUHHUSA-N 1 0 318.295 3.120 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCSCc2ccc(F)cc2)C1 ZINC001168965883 1092468954 /nfs/dbraw/zinc/46/89/54/1092468954.db2.gz DFLMYYUWQINANY-HIFRSBDPSA-N 1 0 312.410 3.094 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC001168966562 1092468978 /nfs/dbraw/zinc/46/89/78/1092468978.db2.gz JMNJZHIEHPIHJL-RYUDHWBXSA-N 1 0 318.295 3.120 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)C1 ZINC001168968067 1092469892 /nfs/dbraw/zinc/46/98/92/1092469892.db2.gz VGHJJCUSOUXSRT-JLSDUUJJSA-N 1 0 311.385 3.206 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2F)C1 ZINC001168971393 1092470151 /nfs/dbraw/zinc/47/01/51/1092470151.db2.gz KBZKGMXVPQTJRB-WCBMZHEXSA-N 1 0 304.724 3.153 20 5 DGBDRO Cc1cccc2c(CC[NH3+])cn([C@H]3CC[C@H](C[N+](=O)[O-])C3)c21 ZINC001168968460 1092470375 /nfs/dbraw/zinc/47/03/75/1092470375.db2.gz ZGYFYMBCPMHCOJ-ZFWWWQNUSA-N 1 0 301.390 3.069 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2F)C1 ZINC001168971391 1092471149 /nfs/dbraw/zinc/47/11/49/1092471149.db2.gz KBZKGMXVPQTJRB-PSASIEDQSA-N 1 0 304.724 3.153 20 5 DGBDRO COc1cccc(C2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001168992915 1092477474 /nfs/dbraw/zinc/47/74/74/1092477474.db2.gz LJURFNXKARCITM-ZFWWWQNUSA-N 1 0 304.390 3.109 20 5 DGBDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ccc(F)cc1 ZINC001168998504 1092478857 /nfs/dbraw/zinc/47/88/57/1092478857.db2.gz NUGUCKQFYWESFI-GOEBONIOSA-N 1 0 308.397 3.429 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)C1 ZINC001169006162 1092486256 /nfs/dbraw/zinc/48/62/56/1092486256.db2.gz FNPLZQBTRBWJGL-JGVFFNPUSA-N 1 0 322.249 3.152 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)C1 ZINC001168989865 1092491926 /nfs/dbraw/zinc/49/19/26/1092491926.db2.gz XGRFYBGNNCHCLL-HFBAOOFYSA-N 1 0 308.809 3.232 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)C1 ZINC001168989868 1092492171 /nfs/dbraw/zinc/49/21/71/1092492171.db2.gz XGRFYBGNNCHCLL-XFBWCDHKSA-N 1 0 308.809 3.232 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168988196 1092492209 /nfs/dbraw/zinc/49/22/09/1092492209.db2.gz OWIRZPSYGDRKHU-UKRRQHHQSA-N 1 0 314.385 3.383 20 5 DGBDRO [NH3+]Cc1ccc(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(C(F)(F)F)c1 ZINC001168988127 1092492685 /nfs/dbraw/zinc/49/26/85/1092492685.db2.gz OBQOKGNTZCNKNB-MNOVXSKESA-N 1 0 317.311 3.021 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC001169034942 1092496496 /nfs/dbraw/zinc/49/64/96/1092496496.db2.gz ISYBGGVWCVQLMR-FVQBIDKESA-N 1 0 306.431 3.222 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Sc3ccncc3)CC2)C1 ZINC001169033649 1092496592 /nfs/dbraw/zinc/49/65/92/1092496592.db2.gz CYHJZXGSWOPCHE-KGLIPLIRSA-N 1 0 321.446 3.084 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)C1 ZINC001169032986 1092496854 /nfs/dbraw/zinc/49/68/54/1092496854.db2.gz AMYUMWROQVTVIU-UHOFOFEASA-N 1 0 324.421 3.361 20 5 DGBDRO COc1cccc(CCC[N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169038807 1092501049 /nfs/dbraw/zinc/50/10/49/1092501049.db2.gz KNTPWFNOUGMTDC-HZPDHXFCSA-N 1 0 306.406 3.005 20 5 DGBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038325 1092500837 /nfs/dbraw/zinc/50/08/37/1092500837.db2.gz YCZXWGJLALXMHQ-DZKIICNBSA-N 1 0 304.390 3.278 20 5 DGBDRO CC(C)[N@H+](CC(=O)c1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039293 1092501793 /nfs/dbraw/zinc/50/17/93/1092501793.db2.gz PKRHNCWSPRRSNA-GDBMZVCRSA-N 1 0 304.390 3.025 20 5 DGBDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169026408 1092506602 /nfs/dbraw/zinc/50/66/02/1092506602.db2.gz LSNJTPCIPVKPPS-LXZKKBNFSA-N 1 0 304.390 3.278 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3cccc(O)c3)CC2)C1 ZINC001169046665 1092508184 /nfs/dbraw/zinc/50/81/84/1092508184.db2.gz LQPLLGFMZDKBQW-BBRMVZONSA-N 1 0 304.390 3.017 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001169141187 1092556707 /nfs/dbraw/zinc/55/67/07/1092556707.db2.gz AWIIOMUDGNCRDO-MLGOLLRUSA-N 1 0 306.410 3.254 20 5 DGBDRO C[C@H]([NH3+])c1ccn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC001169234980 1092605097 /nfs/dbraw/zinc/60/50/97/1092605097.db2.gz NBKKNMIIRNDYGE-LBPRGKRZSA-N 1 0 308.341 3.467 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccccc1C[NH+](C)C ZINC001210446014 1093168702 /nfs/dbraw/zinc/16/87/02/1093168702.db2.gz MNBHCBBISROBGU-UHFFFAOYSA-N 1 0 301.346 3.409 20 5 DGBDRO C[N@@H+]1CCc2ccc(Nc3ccc(F)cc3[N+](=O)[O-])cc2C1 ZINC001210954761 1093335732 /nfs/dbraw/zinc/33/57/32/1093335732.db2.gz NYLVRXFMQOQCSY-UHFFFAOYSA-N 1 0 301.321 3.465 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001120072403 1094371744 /nfs/dbraw/zinc/37/17/44/1094371744.db2.gz KBKKSSSVMJBBGB-RRFJBIMHSA-N 1 0 303.406 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c2ccccc21 ZINC001217933271 1094520135 /nfs/dbraw/zinc/52/01/35/1094520135.db2.gz IWZNWGYDNIIJPM-PZPSRYQVSA-N 1 0 312.369 3.263 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C[C@@H]2F)c2ccccc21 ZINC001217944411 1094524002 /nfs/dbraw/zinc/52/40/02/1094524002.db2.gz HZTAAWIHYSDBFF-XJKSGUPXSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217947239 1094526083 /nfs/dbraw/zinc/52/60/83/1094526083.db2.gz QUDQAOOSHUGPOV-UKRRQHHQSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CCC[NH2+]C[C@H]2F)c(Cl)c1 ZINC001217953629 1094528861 /nfs/dbraw/zinc/52/88/61/1094528861.db2.gz YRGKNRUKSADGKI-GHMZBOCLSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCCC[NH2+]C2)c(Cl)cc1Cl ZINC001217968641 1094533748 /nfs/dbraw/zinc/53/37/48/1094533748.db2.gz MQIYWMPTZDSFCH-QMMMGPOBSA-N 1 0 305.161 3.423 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCCC[NH2+]C2)c(C(F)(F)F)c1 ZINC001217972619 1094536236 /nfs/dbraw/zinc/53/62/36/1094536236.db2.gz UMPRQJWPBGCSKV-SNVBAGLBSA-N 1 0 304.268 3.135 20 5 DGBDRO F[C@@H]1CCC[NH2+]C[C@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001217979620 1094539545 /nfs/dbraw/zinc/53/95/45/1094539545.db2.gz HGWUENULOUTTPT-FZKQIMNGSA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217978914 1094539590 /nfs/dbraw/zinc/53/95/90/1094539590.db2.gz FNKDYPNKKBJBEY-GXSJLCMTSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001217989465 1094545591 /nfs/dbraw/zinc/54/55/91/1094545591.db2.gz MHAWVYUJTIUJEB-SKDRFNHKSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[NH2+]CC[C@H]2F)c(Cl)cc1Cl ZINC001218012983 1094558879 /nfs/dbraw/zinc/55/88/79/1094558879.db2.gz NOTRGDHCFZBTSF-MWLCHTKSSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]CC[C@H]2F)c(C(F)(F)F)c1 ZINC001218012369 1094559074 /nfs/dbraw/zinc/55/90/74/1094559074.db2.gz IZQKHXRQAKULIU-PWSUYJOCSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CC[NH2+]CC[C@H]1F ZINC001218015767 1094561069 /nfs/dbraw/zinc/56/10/69/1094561069.db2.gz MZFHWJLRVAHAFD-MWLCHTKSSA-N 1 0 323.151 3.371 20 5 DGBDRO F[C@@H]1CC[NH2+]CC[C@H]1Oc1cccc2nc3ccccc3nc21 ZINC001218015183 1094561213 /nfs/dbraw/zinc/56/12/13/1094561213.db2.gz JVNJMMSTPMWVNQ-MLGOLLRUSA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]CC[C@H]2F)c2ccccc21 ZINC001218015275 1094561231 /nfs/dbraw/zinc/56/12/31/1094561231.db2.gz KSRJMXDGOYGZCO-CZUORRHYSA-N 1 0 304.321 3.217 20 5 DGBDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@@H]2F)c([N+](=O)[O-])cc1Cl ZINC001218017073 1094562140 /nfs/dbraw/zinc/56/21/40/1094562140.db2.gz HLKSUZCPAWOVNF-JQWIXIFHSA-N 1 0 302.733 3.026 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001218025167 1094566004 /nfs/dbraw/zinc/56/60/04/1094566004.db2.gz REZDLHBLTQIHDV-CABZTGNLSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001218027089 1094567311 /nfs/dbraw/zinc/56/73/11/1094567311.db2.gz MMIORJSRHQEZGG-JOYOIKCWSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC001218043818 1094574654 /nfs/dbraw/zinc/57/46/54/1094574654.db2.gz OREQQHRFHBAMRF-KZULUSFZSA-N 1 0 309.365 3.323 20 5 DGBDRO C[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1 ZINC001218049268 1094576587 /nfs/dbraw/zinc/57/65/87/1094576587.db2.gz KGXPWOMPKPLTAA-PSASIEDQSA-N 1 0 304.268 3.133 20 5 DGBDRO C[C@H]1C[C@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1 ZINC001218049272 1094577362 /nfs/dbraw/zinc/57/73/62/1094577362.db2.gz KGXPWOMPKPLTAA-WCBMZHEXSA-N 1 0 304.268 3.133 20 5 DGBDRO C[C@H]1C[C@@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)CC[NH2+]1 ZINC001218050362 1094577463 /nfs/dbraw/zinc/57/74/63/1094577463.db2.gz QVGRUTOZHUVZEL-JSGCOSHPSA-N 1 0 309.365 3.466 20 5 DGBDRO c1ccc2c(c1)nc(OC[C@@H]1CCC3(C[NH2+]C3)O1)c1ccccc21 ZINC001218072521 1094587370 /nfs/dbraw/zinc/58/73/70/1094587370.db2.gz WZVFELRFWVOQRF-AWEZNQCLSA-N 1 0 320.392 3.288 20 5 DGBDRO Cc1cc(O[C@H]2CCC23CC[NH2+]CC3)c(C)c(C)c1[N+](=O)[O-] ZINC001218080623 1094590851 /nfs/dbraw/zinc/59/08/51/1094590851.db2.gz JXCKMOMSPDXNFW-HNNXBMFYSA-N 1 0 304.390 3.431 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218088801 1094595113 /nfs/dbraw/zinc/59/51/13/1094595113.db2.gz CISNBBFRPNCJQX-IAGOWNOFSA-N 1 0 318.373 3.099 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c(Cl)cc1F ZINC001218092279 1094597064 /nfs/dbraw/zinc/59/70/64/1094597064.db2.gz QTZAISATCCXLDA-ZIAGYGMSSA-N 1 0 314.744 3.298 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218098750 1094603465 /nfs/dbraw/zinc/60/34/65/1094603465.db2.gz QZKVIDSAMAATPH-DOTOQJQBSA-N 1 0 313.357 3.054 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218114722 1094613586 /nfs/dbraw/zinc/61/35/86/1094613586.db2.gz CYINKBRGPNPFPJ-DGCLKSJQSA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[C@@]23CC[NH2+]C3)ccc1C(F)(F)F ZINC001218119846 1094618366 /nfs/dbraw/zinc/61/83/66/1094618366.db2.gz YWTLFVZVMVGWPD-STQMWFEESA-N 1 0 316.279 3.135 20 5 DGBDRO c1ccc2c(c1)nc(O[C@@H]1CO[C@@]3(CC[NH2+]C3)C1)c1ccccc21 ZINC001218126707 1094621523 /nfs/dbraw/zinc/62/15/23/1094621523.db2.gz FTCPXECWYCDZSR-XOBRGWDASA-N 1 0 320.392 3.288 20 5 DGBDRO c1ccc2nc3cc(O[C@H]4CCC5(C[NH2+]C5)C4)ccc3nc2c1 ZINC001218235413 1094670148 /nfs/dbraw/zinc/67/01/48/1094670148.db2.gz QPBNACFFTOQHQU-AWEZNQCLSA-N 1 0 305.381 3.304 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1OC1CC2(C1)CCC[NH2+]C2 ZINC001218251526 1094681820 /nfs/dbraw/zinc/68/18/20/1094681820.db2.gz BGZIYPCIWFVSPJ-UHFFFAOYSA-N 1 0 314.744 3.298 20 5 DGBDRO F[C@@H]1[C@H]2CC[C@@H](C[C@H]1Oc1cccc3nc4ccccc4nc31)[NH2+]2 ZINC001218270425 1094690143 /nfs/dbraw/zinc/69/01/43/1094690143.db2.gz JLTPAHAFLHBBQS-RNBONZGASA-N 1 0 323.371 3.393 20 5 DGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001218314482 1094710947 /nfs/dbraw/zinc/71/09/47/1094710947.db2.gz SBUVNVCOLSWNLB-GFCCVEGCSA-N 1 0 302.733 3.154 20 5 DGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001218314147 1094711218 /nfs/dbraw/zinc/71/12/18/1094711218.db2.gz QQRFMIYTDYMBMD-GFCCVEGCSA-N 1 0 318.295 3.381 20 5 DGBDRO CCC(=O)[C@H]1C[C@@H](Oc2cccc3cc4ccccc4nc32)C[NH2+]1 ZINC001218323582 1094715212 /nfs/dbraw/zinc/71/52/12/1094715212.db2.gz MPYLLHDQFOXCFZ-NVXWUHKLSA-N 1 0 320.392 3.476 20 5 DGBDRO CCC(=O)[C@H]1C[C@@H](Oc2nccc3c4ccccc4ccc32)C[NH2+]1 ZINC001218327713 1094719088 /nfs/dbraw/zinc/71/90/88/1094719088.db2.gz NLJVRGLWUGXQPK-RDTXWAMCSA-N 1 0 320.392 3.476 20 5 DGBDRO c1ccc2nc3c(cccc3OCCO[C@@H]3CC[NH2+]C3)cc2c1 ZINC001218387268 1094744564 /nfs/dbraw/zinc/74/45/64/1094744564.db2.gz KRKAVSKWOPDSQX-MRXNPFEDSA-N 1 0 308.381 3.145 20 5 DGBDRO C[C@@H]1CC[C@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218407398 1094757699 /nfs/dbraw/zinc/75/76/99/1094757699.db2.gz MAZPRNLUWSTNHP-HIFRSBDPSA-N 1 0 319.405 3.104 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001218413008 1094761842 /nfs/dbraw/zinc/76/18/42/1094761842.db2.gz DKMCCDVBTPPSOI-RDDDGLTNSA-N 1 0 305.161 3.278 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001218413007 1094762210 /nfs/dbraw/zinc/76/22/10/1094762210.db2.gz DKMCCDVBTPPSOI-HQJQHLMTSA-N 1 0 305.161 3.278 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001218418453 1094765699 /nfs/dbraw/zinc/76/56/99/1094765699.db2.gz ZJNSUOJBJBZTQD-VXNVDRBHSA-N 1 0 305.161 3.278 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3[C@@H]4CC[C@H]3[NH2+]C4)cc2)cc1 ZINC001218440802 1094775059 /nfs/dbraw/zinc/77/50/59/1094775059.db2.gz ACFXSTKVQYRHET-OLMNPRSZSA-N 1 0 310.353 3.391 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(Cl)c1 ZINC001218444659 1094778819 /nfs/dbraw/zinc/77/88/19/1094778819.db2.gz ONHQDXPPVIHWTN-DIMCTHFVSA-N 1 0 303.145 3.031 20 5 DGBDRO CC(C)(C)c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC001218473486 1094797438 /nfs/dbraw/zinc/79/74/38/1094797438.db2.gz RARWMPLKRRGOAY-NJZAAPMLSA-N 1 0 304.390 3.269 20 5 DGBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218487035 1094812323 /nfs/dbraw/zinc/81/23/23/1094812323.db2.gz HBPYHQZMDDSKIB-OAHLLOKOSA-N 1 0 302.305 3.266 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001337733489 1095074272 /nfs/dbraw/zinc/07/42/72/1095074272.db2.gz MQXUFNFORCIFSU-NVXWUHKLSA-N 1 0 312.373 3.182 20 5 DGBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001123454136 1095300571 /nfs/dbraw/zinc/30/05/71/1095300571.db2.gz VEYJLDSRUIGMRF-UHFFFAOYSA-N 1 0 322.409 3.099 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1NC(=O)c2ccccc21 ZINC001171126659 1095470216 /nfs/dbraw/zinc/47/02/16/1095470216.db2.gz MTGSMJDGEQZCFU-SFHVURJKSA-O 1 0 310.421 3.137 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293145 1095508663 /nfs/dbraw/zinc/50/86/63/1095508663.db2.gz KMRXMAAHABXJKH-GJZGRUSLSA-N 1 0 305.422 3.286 20 5 DGBDRO CC[N@@H+](Cc1ccccc1F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001116479241 1095571188 /nfs/dbraw/zinc/57/11/88/1095571188.db2.gz PCTWYYQTQOJLNY-KRWDZBQOSA-N 1 0 318.348 3.289 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001116548603 1095596962 /nfs/dbraw/zinc/59/69/62/1095596962.db2.gz UHIJOVGYCRDRBA-UHFFFAOYSA-N 1 0 324.340 3.420 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222932609 1095793088 /nfs/dbraw/zinc/79/30/88/1095793088.db2.gz XJGWCPVGFBYOMN-ZDUSSCGKSA-N 1 0 319.361 3.125 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC001117682168 1095798511 /nfs/dbraw/zinc/79/85/11/1095798511.db2.gz DAEKNQXIPVPURH-IDGGIGOKSA-N 1 0 318.417 3.339 20 5 DGBDRO Cc1ccc(CO[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC001223221560 1095907897 /nfs/dbraw/zinc/90/78/97/1095907897.db2.gz GCSHGPGTHBBLMJ-QLPKVWCKSA-N 1 0 304.390 3.150 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC001118516744 1096026091 /nfs/dbraw/zinc/02/60/91/1096026091.db2.gz LEHJYLUELYICAT-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CCOC(=O)[C@H](O[C@H](C)C[N+](C)(C)C)c1ccccc1Cl ZINC001223771059 1096060890 /nfs/dbraw/zinc/06/08/90/1096060890.db2.gz GVLQMXSCJOHNDT-IUODEOHRSA-N 1 0 314.833 3.056 20 5 DGBDRO Cc1ccnc(-c2cc(CO[C@H](C)C[N+](C)(C)C)ccn2)c1 ZINC001223984578 1096109765 /nfs/dbraw/zinc/10/97/65/1096109765.db2.gz XSIWHOFTNQOWKM-OAHLLOKOSA-N 1 0 300.426 3.063 20 5 DGBDRO C[N+](C)(C)CCCO/C(=C\[C@@H](O)C(F)(F)F)c1cccs1 ZINC001224620832 1096248401 /nfs/dbraw/zinc/24/84/01/1096248401.db2.gz GCRREASVMLYUSH-BSYHEUMXSA-N 1 0 324.388 3.125 20 5 DGBDRO C[N+](C)(C)CCO[C@H](C(=O)c1ccsc1)c1ccsc1 ZINC001224775516 1096282234 /nfs/dbraw/zinc/28/22/34/1096282234.db2.gz LXYAUYIAVPIBET-HNNXBMFYSA-N 1 0 310.464 3.456 20 5 DGBDRO Cc1ccc2c(c1)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC001171332122 1096369219 /nfs/dbraw/zinc/36/92/19/1096369219.db2.gz MVTAACCVHKDPQE-UHFFFAOYSA-N 1 0 312.369 3.340 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cccnc2c1Br ZINC001225390643 1096417276 /nfs/dbraw/zinc/41/72/76/1096417276.db2.gz GZFQTWOTGVYUMK-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO COc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC001225441771 1096433372 /nfs/dbraw/zinc/43/33/72/1096433372.db2.gz YWGIBPJEYPVADA-NHAGDIPZSA-N 1 0 320.389 3.386 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2ccc(Br)cc21 ZINC001225751403 1096520635 /nfs/dbraw/zinc/52/06/35/1096520635.db2.gz BRCJYAQAEYANRC-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001225843829 1096544004 /nfs/dbraw/zinc/54/40/04/1096544004.db2.gz OMDKINLCFDAFOC-VIFPVBQESA-N 1 0 321.299 3.118 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Br)cc(F)c1F ZINC001225909381 1096560981 /nfs/dbraw/zinc/56/09/81/1096560981.db2.gz BSWPRIZFDBQHEV-QMMMGPOBSA-N 1 0 309.174 3.201 20 5 DGBDRO O=[N+]([O-])c1cc(OC2CCN(CCF)CC2)c(Cl)cc1F ZINC001226195850 1096634841 /nfs/dbraw/zinc/63/48/41/1096634841.db2.gz LVOXDXUURMOLHD-UHFFFAOYSA-N 1 0 320.723 3.200 20 5 DGBDRO C[NH+]1CCC(Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001226300982 1096656453 /nfs/dbraw/zinc/65/64/53/1096656453.db2.gz DICZEQXDEUOJQC-UHFFFAOYSA-N 1 0 304.268 3.087 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908108 1096812599 /nfs/dbraw/zinc/81/25/99/1096812599.db2.gz DDRBWXMPVKZBAZ-SECBINFHSA-N 1 0 302.733 3.250 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001226997713 1096840826 /nfs/dbraw/zinc/84/08/26/1096840826.db2.gz ZQBXXJFCBDMEBX-UHFFFAOYSA-N 1 0 313.357 3.346 20 5 DGBDRO C[NH+]1CCC(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001227129854 1096875666 /nfs/dbraw/zinc/87/56/66/1096875666.db2.gz NQLIZINPCGVFNU-UHFFFAOYSA-N 1 0 305.161 3.375 20 5 DGBDRO Cc1ccc(O[C@@H](CC[NH+](C)C)c2ccccc2)c([N+](=O)[O-])n1 ZINC001227222988 1096900077 /nfs/dbraw/zinc/90/00/77/1096900077.db2.gz ZHZHPMULSNTGBJ-HNNXBMFYSA-N 1 0 315.373 3.370 20 5 DGBDRO C[N@@H+]1CCc2cc(O[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)ccc2C1 ZINC001228937168 1097221310 /nfs/dbraw/zinc/22/13/10/1097221310.db2.gz XIFBJRKWUMKHJM-IBGZPJMESA-N 1 0 324.380 3.129 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC[C@@H]1CCCCO1)CC2 ZINC001172897616 1097267535 /nfs/dbraw/zinc/26/75/35/1097267535.db2.gz BGQLIBFUUKHEFH-WMZOPIPTSA-N 1 0 318.417 3.391 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@]3(CCCO3)C1)CC2 ZINC001172906886 1097269021 /nfs/dbraw/zinc/26/90/21/1097269021.db2.gz ZEKXDYSPXUPKPP-WMZOPIPTSA-N 1 0 316.401 3.097 20 5 DGBDRO C[C@@]1(O)CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907881 1097270457 /nfs/dbraw/zinc/27/04/57/1097270457.db2.gz IPHHSKAWRKZSDU-FUHWJXTLSA-N 1 0 318.417 3.079 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001229179484 1097271747 /nfs/dbraw/zinc/27/17/47/1097271747.db2.gz MLGRWXBSJNDHTF-AWEZNQCLSA-N 1 0 320.389 3.439 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@]3(CCO3)C1)CC2 ZINC001172915258 1097279046 /nfs/dbraw/zinc/27/90/46/1097279046.db2.gz MSCAGJOUPWQFKU-WMZOPIPTSA-N 1 0 316.401 3.097 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1Cc3ccncc3C1)CC2 ZINC001172918222 1097280200 /nfs/dbraw/zinc/28/02/00/1097280200.db2.gz ZHNUCDZOHHVVOQ-QGZVFWFLSA-N 1 0 309.369 3.253 20 5 DGBDRO C[C@]1(O)CCCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172910441 1097292314 /nfs/dbraw/zinc/29/23/14/1097292314.db2.gz ZYQWGDSSSYNTMF-WMZOPIPTSA-N 1 0 318.417 3.079 20 5 DGBDRO COC(=O)c1cc2ccccc2cc1O[C@H](C)C[N+](C)(C)C ZINC001229359861 1097305379 /nfs/dbraw/zinc/30/53/79/1097305379.db2.gz KTILEFNBCUUSNL-CYBMUJFWSA-N 1 0 302.394 3.100 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C3CC=CC3)CC2)c(F)c1 ZINC001173012445 1097306707 /nfs/dbraw/zinc/30/67/07/1097306707.db2.gz SUQGLXMSRGFICV-UHFFFAOYSA-N 1 0 323.343 3.150 20 5 DGBDRO Cc1cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc(C)c1[N+](=O)[O-] ZINC001229470374 1097327180 /nfs/dbraw/zinc/32/71/80/1097327180.db2.gz PKUDYEUPDZSKSL-XOIINTDNSA-N 1 0 304.390 3.321 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)c1F ZINC001173175657 1097355742 /nfs/dbraw/zinc/35/57/42/1097355742.db2.gz CFRMTKUSOXWKCB-GMTAPVOTSA-N 1 0 314.332 3.154 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c1F ZINC001173177133 1097356384 /nfs/dbraw/zinc/35/63/84/1097356384.db2.gz PCPULKZNVSECQI-GMXVVIOVSA-N 1 0 310.369 3.452 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2C[C@H]3CCC[C@@H]3C2)c1F ZINC001173183633 1097356885 /nfs/dbraw/zinc/35/68/85/1097356885.db2.gz IMGMOMHLQBIVIL-YNEHKIRRSA-N 1 0 322.380 3.405 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC3(CC3)C2)c1F ZINC001173181899 1097356909 /nfs/dbraw/zinc/35/69/09/1097356909.db2.gz QEVBWPFJCBOTDP-NSHDSACASA-N 1 0 308.353 3.159 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CC2CCC2)c1F ZINC001173190546 1097357527 /nfs/dbraw/zinc/35/75/27/1097357527.db2.gz VNLMOLTXHQJLDT-LLVKDONJSA-N 1 0 310.369 3.405 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CC3CC(C3)C2)c1F ZINC001173193116 1097357914 /nfs/dbraw/zinc/35/79/14/1097357914.db2.gz QDBUOGLHCXQHIC-UNXYVOJBSA-N 1 0 308.353 3.015 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(C2CC2)C2CC2)c1F ZINC001173187390 1097357987 /nfs/dbraw/zinc/35/79/87/1097357987.db2.gz FDBASYDUVDTDKX-JTQLQIEISA-N 1 0 322.380 3.452 20 5 DGBDRO CCCCN(CC)CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215785 1097367911 /nfs/dbraw/zinc/36/79/11/1097367911.db2.gz ZRLBFWGDPICKKI-OAHLLOKOSA-N 1 0 307.438 3.237 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)C1CCCCC1 ZINC001173216580 1097368418 /nfs/dbraw/zinc/36/84/18/1097368418.db2.gz CYEZFWYLZLQDEA-GUYCJALGSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COc2ccccc2C1 ZINC001173217580 1097368840 /nfs/dbraw/zinc/36/88/40/1097368840.db2.gz WEZCTGRESHDREP-CZUORRHYSA-N 1 0 312.369 3.119 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccnc1Cl ZINC001173218906 1097370050 /nfs/dbraw/zinc/37/00/50/1097370050.db2.gz STNJLXUYDBFLOO-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC001173219598 1097370261 /nfs/dbraw/zinc/37/02/61/1097370261.db2.gz DTRDVXWKCVQFGJ-KBPBESRZSA-N 1 0 314.385 3.452 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc2ccc(C[NH3+])cc2n1 ZINC001173220295 1097371097 /nfs/dbraw/zinc/37/10/97/1097371097.db2.gz XMYXFMCIXFOUPH-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO CCOC1CCC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173221047 1097372270 /nfs/dbraw/zinc/37/22/70/1097372270.db2.gz FIQNRSUAQSRBQJ-BZOOQXSSSA-N 1 0 306.406 3.463 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(C2CCC2)cn1 ZINC001173221026 1097372485 /nfs/dbraw/zinc/37/24/85/1097372485.db2.gz FEWMZWSYDIKRNQ-ZDUSSCGKSA-N 1 0 314.389 3.237 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC001173222099 1097372878 /nfs/dbraw/zinc/37/28/78/1097372878.db2.gz UADJIEPYFNFULA-KGLIPLIRSA-N 1 0 314.385 3.452 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCC2)CC1 ZINC001173225307 1097373808 /nfs/dbraw/zinc/37/38/08/1097373808.db2.gz JHAVCLOASIWJML-OAHLLOKOSA-N 1 0 317.433 3.086 20 5 DGBDRO CO[C@H]1CCC[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001173229954 1097375776 /nfs/dbraw/zinc/37/57/76/1097375776.db2.gz YGDNZAMGWXAAPJ-DHXZDTOLSA-N 1 0 318.417 3.273 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001173227677 1097376198 /nfs/dbraw/zinc/37/61/98/1097376198.db2.gz SEYZHOMCCWVYMY-DYVFJYSZSA-N 1 0 312.373 3.153 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)c1ccccc1 ZINC001173232837 1097377382 /nfs/dbraw/zinc/37/73/82/1097377382.db2.gz GERNHCHVQBAZQV-CQSZACIVSA-N 1 0 312.369 3.388 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccccc2C1=O ZINC001173230549 1097377483 /nfs/dbraw/zinc/37/74/83/1097377483.db2.gz RXFBYNVERWYKHC-FZKQIMNGSA-N 1 0 324.380 3.313 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC001173231184 1097377823 /nfs/dbraw/zinc/37/78/23/1097377823.db2.gz YIWVSNRMHOYNDN-CYBMUJFWSA-N 1 0 324.384 3.202 20 5 DGBDRO Cc1cccn2cc(C[NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)nc12 ZINC001173234077 1097378121 /nfs/dbraw/zinc/37/81/21/1097378121.db2.gz MCZYMPVGCRSVHT-AWEZNQCLSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001173234884 1097378696 /nfs/dbraw/zinc/37/86/96/1097378696.db2.gz ULOSKYVRRFMHQU-UKRRQHHQSA-N 1 0 322.380 3.119 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001173234888 1097378743 /nfs/dbraw/zinc/37/87/43/1097378743.db2.gz ULOSKYVRRFMHQU-ZFWWWQNUSA-N 1 0 322.380 3.119 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(F)cc1 ZINC001173208738 1097380199 /nfs/dbraw/zinc/38/01/99/1097380199.db2.gz BGYAQKINWSEGPX-CYBMUJFWSA-N 1 0 302.349 3.497 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ncc2cccc(C[NH3+])c21 ZINC001173236237 1097380495 /nfs/dbraw/zinc/38/04/95/1097380495.db2.gz ZBRNPGHYPXHUQF-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO Cc1cccn2c(C[NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)cnc12 ZINC001173211183 1097381286 /nfs/dbraw/zinc/38/12/86/1097381286.db2.gz QSFJVYWHOFLKDQ-AWEZNQCLSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cccc(O)c1 ZINC001173212975 1097381375 /nfs/dbraw/zinc/38/13/75/1097381375.db2.gz DRXHXFMHDRVXGJ-CYBMUJFWSA-N 1 0 300.358 3.064 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c2ccccc2nc1CC[NH3+] ZINC001173212965 1097381812 /nfs/dbraw/zinc/38/18/12/1097381812.db2.gz DPDMOGRPOQOQJR-CYBMUJFWSA-N 1 0 324.384 3.249 20 5 DGBDRO Cc1ccc2ncc(C[NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)n2c1 ZINC001173211638 1097381870 /nfs/dbraw/zinc/38/18/70/1097381870.db2.gz UOGMAYSHSIDDDV-CQSZACIVSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(Cl)n1 ZINC001173214450 1097382229 /nfs/dbraw/zinc/38/22/29/1097382229.db2.gz CCYADGFWHATFPP-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC001173237788 1097392844 /nfs/dbraw/zinc/39/28/44/1097392844.db2.gz MSIZHWVYIXWWRT-CZUORRHYSA-N 1 0 312.373 3.153 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Br)cc2cccnc21 ZINC001230246439 1097463958 /nfs/dbraw/zinc/46/39/58/1097463958.db2.gz YABSFBAUFHWPBM-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001230727820 1097567973 /nfs/dbraw/zinc/56/79/73/1097567973.db2.gz FQSVLGLKMLVBJT-HALDLXJZSA-N 1 0 304.390 3.321 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC001174705095 1097813517 /nfs/dbraw/zinc/81/35/17/1097813517.db2.gz QAZJQQBAMLJZQW-HNNXBMFYSA-N 1 0 304.390 3.486 20 5 DGBDRO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001174948252 1097897541 /nfs/dbraw/zinc/89/75/41/1097897541.db2.gz NMFPYPUFLKVXAF-GOSISDBHSA-N 1 0 311.385 3.306 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001175070290 1097937517 /nfs/dbraw/zinc/93/75/17/1097937517.db2.gz PYOIDWKHIRSQJZ-BMGDILEWSA-N 1 0 317.433 3.238 20 5 DGBDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219088 1097971242 /nfs/dbraw/zinc/97/12/42/1097971242.db2.gz QNBMLIHRCRXTGS-CABCVRRESA-N 1 0 321.424 3.376 20 5 DGBDRO C[C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)C[C@H](C)[N@H+]1C ZINC001232223166 1097973737 /nfs/dbraw/zinc/97/37/37/1097973737.db2.gz KYESCMSVVOSAMJ-GASCZTMLSA-N 1 0 320.440 3.307 20 5 DGBDRO COc1ccc(Nc2c[nH+]ccc2N2CCCC2)cc1[N+](=O)[O-] ZINC001176362608 1098332993 /nfs/dbraw/zinc/33/29/93/1098332993.db2.gz DSKQJGCBBWGCBX-UHFFFAOYSA-N 1 0 314.345 3.342 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)ccc(F)c1Br ZINC001233821615 1098437401 /nfs/dbraw/zinc/43/74/01/1098437401.db2.gz PSQZXZFUTQUFBB-QMMMGPOBSA-N 1 0 309.174 3.201 20 5 DGBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001176926508 1098451432 /nfs/dbraw/zinc/45/14/32/1098451432.db2.gz KBVWOWYDVPUMHL-PBHICJAKSA-N 1 0 320.389 3.137 20 5 DGBDRO COc1c(Br)cc(F)cc1O[C@H](C)C[N+](C)(C)C ZINC001234199127 1098512636 /nfs/dbraw/zinc/51/26/36/1098512636.db2.gz IRLCIZKLGJDOLY-SECBINFHSA-N 1 0 321.210 3.070 20 5 DGBDRO CCc1cccc(F)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001177683342 1098577640 /nfs/dbraw/zinc/57/76/40/1098577640.db2.gz BARLDKWKTXGDLM-UHFFFAOYSA-N 1 0 318.348 3.465 20 5 DGBDRO CCCC(=O)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177754102 1098600117 /nfs/dbraw/zinc/60/01/17/1098600117.db2.gz DRCVWLBUBKLQEZ-UHFFFAOYSA-N 1 0 321.421 3.161 20 5 DGBDRO CO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC001178762850 1098929042 /nfs/dbraw/zinc/92/90/42/1098929042.db2.gz UYLCOQWDOPLMCG-KRWDZBQOSA-N 1 0 314.385 3.251 20 5 DGBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001178981265 1098975676 /nfs/dbraw/zinc/97/56/76/1098975676.db2.gz CSLZAKXFFDTROO-ILWJIGKKSA-N 1 0 311.179 3.245 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](CO)CC2CCCCC2)cc1[N+](=O)[O-] ZINC001178986780 1098989684 /nfs/dbraw/zinc/98/96/84/1098989684.db2.gz QZJGMQKRDJARQZ-INIZCTEOSA-N 1 0 306.406 3.324 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2CCC3(CCC3)CO2)cccc1[N+](=O)[O-] ZINC001179593137 1099142521 /nfs/dbraw/zinc/14/25/21/1099142521.db2.gz NZIQAVFEXHGHIT-OAHLLOKOSA-N 1 0 304.390 3.342 20 5 DGBDRO CCC1CCC([N@H+](CCO)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001194066559 1100862825 /nfs/dbraw/zinc/86/28/25/1100862825.db2.gz LYWVFUXNAUGQGX-UHFFFAOYSA-N 1 0 324.396 3.497 20 5 DGBDRO Cc1cc(N2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC001327704425 1103711351 /nfs/dbraw/zinc/71/13/51/1103711351.db2.gz YXXSBNDHXTUTDA-UHFFFAOYSA-N 1 0 309.435 3.277 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001246609709 1104624048 /nfs/dbraw/zinc/62/40/48/1104624048.db2.gz JFPYAMXIXPRMCM-HNNXBMFYSA-N 1 0 317.433 3.134 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1nc(C(C)C)no1 ZINC001330792527 1104647581 /nfs/dbraw/zinc/64/75/81/1104647581.db2.gz DUXRDGLYDLDNQO-UHFFFAOYSA-N 1 0 318.377 3.050 20 5 DGBDRO CC(C)CN([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001246954420 1104752489 /nfs/dbraw/zinc/75/24/89/1104752489.db2.gz ZITDXTWCEOWNDB-NVXWUHKLSA-N 1 0 319.449 3.236 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4CCC[NH2+]4)n3)nc12 ZINC001247497229 1104912595 /nfs/dbraw/zinc/91/25/95/1104912595.db2.gz VQSRZBGUUUGGLZ-CQSZACIVSA-N 1 0 317.352 3.258 20 5 DGBDRO [NH3+][C@@H]1CC[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248322797 1105096228 /nfs/dbraw/zinc/09/62/28/1105096228.db2.gz BDFOXOCDQKPYSL-QWHCGFSZSA-N 1 0 317.352 3.038 20 5 DGBDRO C[NH+](C)Cc1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3F)nc2c1 ZINC001250818800 1105589142 /nfs/dbraw/zinc/58/91/42/1105589142.db2.gz FSGLDVQMHOWZAC-UHFFFAOYSA-N 1 0 314.320 3.339 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094259 1105886913 /nfs/dbraw/zinc/88/69/13/1105886913.db2.gz BANZXHJUWLMEJH-CABCVRRESA-N 1 0 305.422 3.286 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC001254184795 1106030345 /nfs/dbraw/zinc/03/03/45/1106030345.db2.gz QYNKFGDBOKIKTE-GJZGRUSLSA-N 1 0 311.813 3.211 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475692 1106077711 /nfs/dbraw/zinc/07/77/11/1106077711.db2.gz GXMHAXSYXOOGSQ-AWEZNQCLSA-N 1 0 303.406 3.438 20 5 DGBDRO CC1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254476898 1106078178 /nfs/dbraw/zinc/07/81/78/1106078178.db2.gz WRYOZOGNRKFAGV-UHFFFAOYSA-N 1 0 303.406 3.296 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC001254480930 1106078748 /nfs/dbraw/zinc/07/87/48/1106078748.db2.gz QIUKKAWDHJEUKT-SUMWQHHRSA-N 1 0 301.390 3.048 20 5 DGBDRO C[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2(CC2)C1 ZINC001254480282 1106079026 /nfs/dbraw/zinc/07/90/26/1106079026.db2.gz CYLGMOURCZSVLG-AWEZNQCLSA-N 1 0 315.417 3.438 20 5 DGBDRO CCCN(CCC)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254535472 1106097824 /nfs/dbraw/zinc/09/78/24/1106097824.db2.gz KHTYDYXPDHUPNV-OAHLLOKOSA-N 1 0 307.438 3.237 20 5 DGBDRO CCCN(CCC)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254535471 1106098020 /nfs/dbraw/zinc/09/80/20/1106098020.db2.gz KHTYDYXPDHUPNV-HNNXBMFYSA-N 1 0 307.438 3.237 20 5 DGBDRO Cc1ccc(C(=O)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254541746 1106099462 /nfs/dbraw/zinc/09/94/62/1106099462.db2.gz IZKYPIRETDPBHV-AWEZNQCLSA-N 1 0 312.369 3.307 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H](C[NH3+])c2ccccc21 ZINC001254543465 1106099492 /nfs/dbraw/zinc/09/94/92/1106099492.db2.gz SDGSDCKNZCPDHU-HIFRSBDPSA-N 1 0 311.385 3.088 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cc2ccc(C[NH3+])cc2n1 ZINC001254542125 1106099704 /nfs/dbraw/zinc/09/97/04/1106099704.db2.gz MCVIABNFPAZBTA-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccncc1Cl ZINC001254542416 1106099987 /nfs/dbraw/zinc/09/99/87/1106099987.db2.gz NAQAQUOYENKMAQ-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1c(C[NH3+])cc2ccncc21 ZINC001254547498 1106100549 /nfs/dbraw/zinc/10/05/49/1106100549.db2.gz IXVUAGJZMBGPRA-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1Cc2ccc(F)cc2C1 ZINC001254549356 1106101206 /nfs/dbraw/zinc/10/12/06/1106101206.db2.gz SIGZGXNCHGRZAS-SJCJKPOMSA-N 1 0 314.360 3.422 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2c1cnn2C ZINC001254549386 1106101229 /nfs/dbraw/zinc/10/12/29/1106101229.db2.gz SWRJKNOIKDXXSD-CYBMUJFWSA-N 1 0 324.384 3.202 20 5 DGBDRO COc1ccc(N[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1C[NH3+] ZINC001254549006 1106101872 /nfs/dbraw/zinc/10/18/72/1106101872.db2.gz PGICQHAQJFCHKC-GFCCVEGCSA-N 1 0 315.373 3.105 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001254561251 1106103938 /nfs/dbraw/zinc/10/39/38/1106103938.db2.gz KOAOLZJTSVEXRM-GZIXRCOHSA-N 1 0 304.390 3.025 20 5 DGBDRO Cn1cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc21 ZINC001254565264 1106105388 /nfs/dbraw/zinc/10/53/88/1106105388.db2.gz CSUQHHUARKVJDJ-MRXNPFEDSA-N 1 0 321.380 3.344 20 5 DGBDRO COc1ccccc1[C@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571905 1106105783 /nfs/dbraw/zinc/10/57/83/1106105783.db2.gz CYDLBYRGRAKQFF-WFASDCNBSA-N 1 0 312.369 3.421 20 5 DGBDRO Cn1c(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc2ccccc21 ZINC001254572220 1106106682 /nfs/dbraw/zinc/10/66/82/1106106682.db2.gz JYESDKKFDWFKTB-MRXNPFEDSA-N 1 0 321.380 3.344 20 5 DGBDRO Cc1ccc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)s1 ZINC001254572596 1106106730 /nfs/dbraw/zinc/10/67/30/1106106730.db2.gz QXIMKEIBJUGQTA-AWEZNQCLSA-N 1 0 302.399 3.264 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cnc3ccccc3c1)C2 ZINC001254572414 1106106958 /nfs/dbraw/zinc/10/69/58/1106106958.db2.gz MUTVZCWCVAIUGV-KRWDZBQOSA-N 1 0 319.364 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCCc1ccccn1)C2 ZINC001254574205 1106107004 /nfs/dbraw/zinc/10/70/04/1106107004.db2.gz GQTNAJMLLZJXBM-QGZVFWFLSA-N 1 0 311.385 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(c3cccc(F)c3)CC1)C2 ZINC001254577021 1106107537 /nfs/dbraw/zinc/10/75/37/1106107537.db2.gz BJIFKTRBMWTUCM-MRXNPFEDSA-N 1 0 312.344 3.480 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCc1ccc(F)c(F)c1)C2 ZINC001254577940 1106107607 /nfs/dbraw/zinc/10/76/07/1106107607.db2.gz INBFPGSTUBWARJ-CQSZACIVSA-N 1 0 318.323 3.173 20 5 DGBDRO CC(C)[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254576820 1106107637 /nfs/dbraw/zinc/10/76/37/1106107637.db2.gz ZWZQWMVQQJVGGY-YJBOKZPZSA-N 1 0 311.385 3.444 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)C2 ZINC001254583111 1106108330 /nfs/dbraw/zinc/10/83/30/1106108330.db2.gz XMYFEVNQTKXLON-AEFFLSMTSA-N 1 0 309.369 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc(F)cnc1Cl)C2 ZINC001254581933 1106108377 /nfs/dbraw/zinc/10/83/77/1106108377.db2.gz QKQSXHHMIAYUNZ-CYBMUJFWSA-N 1 0 321.739 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc3cnccc31)C2 ZINC001254588473 1106108961 /nfs/dbraw/zinc/10/89/61/1106108961.db2.gz ZITUSVZDRLEZQX-KRWDZBQOSA-N 1 0 319.364 3.400 20 5 DGBDRO Cc1cc2c(cn1)[C@@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254586300 1106109225 /nfs/dbraw/zinc/10/92/25/1106109225.db2.gz PLXFEBVMQWCXQZ-QAPCUYQASA-N 1 0 309.369 3.043 20 5 DGBDRO CC(C)(CC1CCOCC1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254590150 1106110074 /nfs/dbraw/zinc/11/00/74/1106110074.db2.gz VEBARZJGMSIWPQ-INIZCTEOSA-N 1 0 318.417 3.247 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCc3ccccc3O1)C2 ZINC001254590051 1106110086 /nfs/dbraw/zinc/11/00/86/1106110086.db2.gz UCZKUAMDXSXLAH-FUHWJXTLSA-N 1 0 324.380 3.045 20 5 DGBDRO CC[N@H+](C1CC1)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256093603 1106368465 /nfs/dbraw/zinc/36/84/65/1106368465.db2.gz ARCXXRRXBRHDJT-UHFFFAOYSA-N 1 0 319.405 3.057 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001321751969 1107425563 /nfs/dbraw/zinc/42/55/63/1107425563.db2.gz MWMYPYYJPREAGH-LSDHHAIUSA-N 1 0 304.390 3.486 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC001474664935 1107497399 /nfs/dbraw/zinc/49/73/99/1107497399.db2.gz LCBMSAIORUAKDN-ZJPZJRRFSA-N 1 0 318.417 3.462 20 5 DGBDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001262010428 1107572684 /nfs/dbraw/zinc/57/26/84/1107572684.db2.gz FDUALZWKQQMNKK-RYUDHWBXSA-N 1 0 318.295 3.271 20 5 DGBDRO COc1ccc(CNc2c(C)c[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC001322556847 1107703870 /nfs/dbraw/zinc/70/38/70/1107703870.db2.gz HGWSRWAIVIDIKK-UHFFFAOYSA-N 1 0 323.352 3.494 20 5 DGBDRO [NH3+]CCN(Cc1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] ZINC001323727962 1108069041 /nfs/dbraw/zinc/06/90/41/1108069041.db2.gz IEMJRQLYKJFFAZ-UHFFFAOYSA-N 1 0 311.385 3.049 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001319920386 1108694755 /nfs/dbraw/zinc/69/47/55/1108694755.db2.gz CWLGPXKVUGVFIU-UHFFFAOYSA-N 1 0 310.313 3.112 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001307562892 1111314329 /nfs/dbraw/zinc/31/43/29/1111314329.db2.gz HZOCECXLTPJLTO-KGLIPLIRSA-N 1 0 319.405 3.434 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001307622174 1111320870 /nfs/dbraw/zinc/32/08/70/1111320870.db2.gz MWEYHKPPFANACW-IVMMDQJWSA-N 1 0 320.389 3.225 20 5 DGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)cnn1C ZINC001307656748 1111324553 /nfs/dbraw/zinc/32/45/53/1111324553.db2.gz IEONNZIUDGGDAY-VIFPVBQESA-N 1 0 308.769 3.141 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC001307884720 1111350905 /nfs/dbraw/zinc/35/09/05/1111350905.db2.gz IYWWWNJFLKSJBP-OAHLLOKOSA-N 1 0 306.410 3.144 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC001308049795 1111370997 /nfs/dbraw/zinc/37/09/97/1111370997.db2.gz MIOLVNHXYYYAKS-KBPBESRZSA-N 1 0 320.389 3.321 20 5 DGBDRO Cc1noc(C)c1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001308348061 1111419794 /nfs/dbraw/zinc/41/97/94/1111419794.db2.gz RRDXJEUZKYZXGF-UHFFFAOYSA-N 1 0 309.753 3.185 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](CO)CC2CCCC2)cccc1[N+](=O)[O-] ZINC001308385687 1111424309 /nfs/dbraw/zinc/42/43/09/1111424309.db2.gz BOLWTISCKRSKLP-HNNXBMFYSA-N 1 0 306.406 3.182 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC001308449112 1111430159 /nfs/dbraw/zinc/43/01/59/1111430159.db2.gz SVUKFDWPGJQSBI-LBPRGKRZSA-N 1 0 322.405 3.279 20 5 DGBDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001308489918 1111434154 /nfs/dbraw/zinc/43/41/54/1111434154.db2.gz DDKXLFOUKLXYOL-ZDUSSCGKSA-N 1 0 318.373 3.496 20 5 DGBDRO Cc1cc(NC(=O)NCCC[N@@H+](C)CC(C)C)cc([N+](=O)[O-])c1 ZINC001311323238 1111595419 /nfs/dbraw/zinc/59/54/19/1111595419.db2.gz QYBMTFKWXJOZGT-UHFFFAOYSA-N 1 0 322.409 3.003 20 5 DGBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000076613397 185027305 /nfs/dbraw/zinc/02/73/05/185027305.db2.gz WQOAXJARAKLZAV-HNNXBMFYSA-N 1 0 315.373 3.149 20 5 DGBDRO Cn1c2ccccc2nc1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000076901118 185052765 /nfs/dbraw/zinc/05/27/65/185052765.db2.gz BZOSSPGEKVAPAA-UHFFFAOYSA-N 1 0 324.384 3.204 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CCSC3)CC2)cc1 ZINC000278503858 214196980 /nfs/dbraw/zinc/19/69/80/214196980.db2.gz VZGMYJYAYOOFAX-CYBMUJFWSA-N 1 0 322.430 3.191 20 5 DGBDRO C[C@@H](O)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000278690043 214328532 /nfs/dbraw/zinc/32/85/32/214328532.db2.gz PUFZPJVRZKVVQT-GFCCVEGCSA-N 1 0 304.346 3.105 20 5 DGBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000319343717 231183212 /nfs/dbraw/zinc/18/32/12/231183212.db2.gz PDNBIAUJMDYYFW-GXTWGEPZSA-N 1 0 310.369 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc3cccnc32)cc1 ZINC000320266851 231191837 /nfs/dbraw/zinc/19/18/37/231191837.db2.gz SKMXLEVSEKUYCR-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO CC[C@]1(O)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000428431123 529441947 /nfs/dbraw/zinc/44/19/47/529441947.db2.gz KSGJADNOGVQINJ-KRWDZBQOSA-N 1 0 316.357 3.202 20 5 DGBDRO CSC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000090112495 185282715 /nfs/dbraw/zinc/28/27/15/185282715.db2.gz SKQMEEUNOJPGEK-CYBMUJFWSA-N 1 0 324.446 3.466 20 5 DGBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538759 185301623 /nfs/dbraw/zinc/30/16/23/185301623.db2.gz CWPLGEJFXIFTMF-GFCCVEGCSA-N 1 0 314.345 3.197 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090540928 185301888 /nfs/dbraw/zinc/30/18/88/185301888.db2.gz QSHJJFZWMJHHGR-IVMMDQJWSA-N 1 0 322.430 3.300 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000092485605 185321858 /nfs/dbraw/zinc/32/18/58/185321858.db2.gz BAZLGCPLFXBVMB-OCCSQVGLSA-N 1 0 320.389 3.377 20 5 DGBDRO C[N@H+](CCc1ccncc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000181496045 199306000 /nfs/dbraw/zinc/30/60/00/199306000.db2.gz OTRSKGVTVPXCRB-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO Cc1cc(NCC2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181497150 199307051 /nfs/dbraw/zinc/30/70/51/199307051.db2.gz KSCINJFEHLRIGH-UHFFFAOYSA-N 1 0 301.346 3.290 20 5 DGBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301101842 530049614 /nfs/dbraw/zinc/04/96/14/530049614.db2.gz IASRTGYPPLGFJT-UHFFFAOYSA-N 1 0 317.311 3.367 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000330830411 232100425 /nfs/dbraw/zinc/10/04/25/232100425.db2.gz JOSMPRXPTUASSK-VXGBXAGGSA-N 1 0 319.405 3.256 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCCC(C)(C)C)cc1[N+](=O)[O-] ZINC000181814331 199355998 /nfs/dbraw/zinc/35/59/98/199355998.db2.gz UEGOKUSPFCDTKU-ZDUSSCGKSA-N 1 0 321.421 3.106 20 5 DGBDRO CC[C@H](c1ccncc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000130146802 432016109 /nfs/dbraw/zinc/01/61/09/432016109.db2.gz HHRAKLXFHXFTTC-OAHLLOKOSA-N 1 0 315.373 3.452 20 5 DGBDRO CC[C@H](c1ccncc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000130121087 432016303 /nfs/dbraw/zinc/01/63/03/432016303.db2.gz YORMHVFCOJUZLN-QGZVFWFLSA-N 1 0 315.373 3.452 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000279681878 215058221 /nfs/dbraw/zinc/05/82/21/215058221.db2.gz ADIIVIUPIYLNHK-WFASDCNBSA-N 1 0 306.431 3.259 20 5 DGBDRO Cn1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000130411678 432023912 /nfs/dbraw/zinc/02/39/12/432023912.db2.gz MYBFCHSAZMJGCO-WBVHZDCISA-N 1 0 313.401 3.434 20 5 DGBDRO CCOc1ccc([C@H](C)NC2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000152625923 186091377 /nfs/dbraw/zinc/09/13/77/186091377.db2.gz RVBBLUFBJSYDDP-ZDUSSCGKSA-N 1 0 321.421 3.128 20 5 DGBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000237488591 186296810 /nfs/dbraw/zinc/29/68/10/186296810.db2.gz ABLYYUFBHYQFHQ-CQSZACIVSA-N 1 0 314.385 3.454 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000266844987 186356702 /nfs/dbraw/zinc/35/67/02/186356702.db2.gz HRGCGCUGEVZASW-SUMWQHHRSA-N 1 0 300.358 3.287 20 5 DGBDRO CCC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOCC1 ZINC000294768565 186676509 /nfs/dbraw/zinc/67/65/09/186676509.db2.gz NCESTBXMRKOSBO-LBPRGKRZSA-N 1 0 307.394 3.034 20 5 DGBDRO CC[C@H](C)C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000171949689 198013338 /nfs/dbraw/zinc/01/33/38/198013338.db2.gz JDQRMNBRBIEEEC-NSHDSACASA-N 1 0 304.350 3.123 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000172832291 198155231 /nfs/dbraw/zinc/15/52/31/198155231.db2.gz FOJITWILEZTMTB-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173431633 198214561 /nfs/dbraw/zinc/21/45/61/198214561.db2.gz MLZXPEIUOIJISQ-WDEREUQCSA-N 1 0 303.362 3.481 20 5 DGBDRO CSC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000173447972 198215112 /nfs/dbraw/zinc/21/51/12/198215112.db2.gz ZODGYSVODHKZRY-GFCCVEGCSA-N 1 0 310.419 3.158 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000287258686 219411613 /nfs/dbraw/zinc/41/16/13/219411613.db2.gz KRKGJEJSDXEDHW-GFCCVEGCSA-N 1 0 309.797 3.170 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000174241442 198309220 /nfs/dbraw/zinc/30/92/20/198309220.db2.gz JNSMEWUDFZIPAI-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CCCCO3)CC2)cc1 ZINC000174246967 198310037 /nfs/dbraw/zinc/31/00/37/198310037.db2.gz NNWHNYOLPBLJGQ-QGZVFWFLSA-N 1 0 320.389 3.007 20 5 DGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1cccc(Cl)c1 ZINC000174724931 198376562 /nfs/dbraw/zinc/37/65/62/198376562.db2.gz PTNQJBTXRZMWJZ-MRXNPFEDSA-N 1 0 320.776 3.414 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCCNc2ccccn2)cccc1[N+](=O)[O-] ZINC000163826090 432042938 /nfs/dbraw/zinc/04/29/38/432042938.db2.gz URLVSJAUORRYFC-AWEZNQCLSA-N 1 0 314.389 3.451 20 5 DGBDRO CCCC[N@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000132669264 432052935 /nfs/dbraw/zinc/05/29/35/432052935.db2.gz LCPMHQUSNSSVAM-CYBMUJFWSA-N 1 0 307.394 3.352 20 5 DGBDRO CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000132669075 432052948 /nfs/dbraw/zinc/05/29/48/432052948.db2.gz LCPMHQUSNSSVAM-ZDUSSCGKSA-N 1 0 307.394 3.352 20 5 DGBDRO COC[C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000179369267 432055904 /nfs/dbraw/zinc/05/59/04/432055904.db2.gz NUQOQVDHWDDICY-LBPRGKRZSA-N 1 0 304.346 3.322 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000237192608 202182064 /nfs/dbraw/zinc/18/20/64/202182064.db2.gz BPJTUCZQONEYCG-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000178757409 198925083 /nfs/dbraw/zinc/92/50/83/198925083.db2.gz IOFXCJJVMVRRPR-GFCCVEGCSA-N 1 0 308.378 3.286 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC2CCOCC2)cc1[N+](=O)[O-] ZINC000179414975 199031930 /nfs/dbraw/zinc/03/19/30/199031930.db2.gz LFAQAEQKLFFXAS-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CCCO2)c2ccccc2)c1 ZINC000179976614 432075452 /nfs/dbraw/zinc/07/54/52/432075452.db2.gz WEWUCAFPMMBOCY-ZWKOTPCHSA-N 1 0 312.369 3.453 20 5 DGBDRO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180413102 199155716 /nfs/dbraw/zinc/15/57/16/199155716.db2.gz FSUWHIHNQVFJKH-UKRRQHHQSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1[N+](=O)[O-] ZINC000187500103 200120311 /nfs/dbraw/zinc/12/03/11/200120311.db2.gz NDROOVVNRDPVMM-UHFFFAOYSA-N 1 0 314.385 3.420 20 5 DGBDRO C[C@H]1CCCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000187981660 200186516 /nfs/dbraw/zinc/18/65/16/200186516.db2.gz GHTDZLLQLVGKKF-ZDUSSCGKSA-N 1 0 305.378 3.045 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000420277057 237693512 /nfs/dbraw/zinc/69/35/12/237693512.db2.gz HXUDKIHVCMDMCV-NEPJUHHUSA-N 1 0 300.362 3.072 20 5 DGBDRO CCC[C@H]([NH2+]CCOCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000188770472 200301284 /nfs/dbraw/zinc/30/12/84/200301284.db2.gz WEJBKAMIMJNIRG-ZDUSSCGKSA-N 1 0 302.321 3.307 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281186562 216138386 /nfs/dbraw/zinc/13/83/86/216138386.db2.gz JAGLYZMSSMFEJF-QGZVFWFLSA-N 1 0 315.348 3.412 20 5 DGBDRO O=C(C[N@@H+]1CC[C@H]2CCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426454558 237972936 /nfs/dbraw/zinc/97/29/36/237972936.db2.gz QNKOUTOIWOWSTF-MFKMUULPSA-N 1 0 323.780 3.061 20 5 DGBDRO COc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000246074803 432091640 /nfs/dbraw/zinc/09/16/40/432091640.db2.gz DBPQPTMZHKFCTM-CZUORRHYSA-N 1 0 322.430 3.463 20 5 DGBDRO C[C@H](O)CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000433175000 238149344 /nfs/dbraw/zinc/14/93/44/238149344.db2.gz KVNDLPACVVIALM-LBPRGKRZSA-N 1 0 304.346 3.105 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cccc1[N+](=O)[O-] ZINC000433344926 238156852 /nfs/dbraw/zinc/15/68/52/238156852.db2.gz UWYWVXHWFYCTHZ-UHFFFAOYSA-N 1 0 312.329 3.176 20 5 DGBDRO CC(C)(C)[C@@H](CCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193282277 201018624 /nfs/dbraw/zinc/01/86/24/201018624.db2.gz TZFSAXVEQNDIHS-HZPDHXFCSA-N 1 0 306.406 3.359 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000194006486 201160903 /nfs/dbraw/zinc/16/09/03/201160903.db2.gz LKXYIMLSAHNRTP-SMDDNHRTSA-N 1 0 305.378 3.010 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194089507 201176014 /nfs/dbraw/zinc/17/60/14/201176014.db2.gz GILXJIIXGUUMDB-VNQPRFMTSA-N 1 0 302.374 3.032 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000194089796 201177528 /nfs/dbraw/zinc/17/75/28/201177528.db2.gz SGQAOYSBRYPGPV-OWCLPIDISA-N 1 0 302.374 3.032 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000194415934 201223274 /nfs/dbraw/zinc/22/32/74/201223274.db2.gz RJLZNIRMBXRECU-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO CCO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000194464181 201231432 /nfs/dbraw/zinc/23/14/32/201231432.db2.gz XBHYQMAFUJWFDY-QGZVFWFLSA-N 1 0 300.358 3.462 20 5 DGBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441448126 239053207 /nfs/dbraw/zinc/05/32/07/239053207.db2.gz OKBZJKMWSJHJDA-KGLIPLIRSA-N 1 0 322.405 3.493 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000443643993 239223527 /nfs/dbraw/zinc/22/35/27/239223527.db2.gz WSZFEAOTICWOPB-QWHCGFSZSA-N 1 0 319.405 3.210 20 5 DGBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000443657111 239224970 /nfs/dbraw/zinc/22/49/70/239224970.db2.gz QOTMQMTUUUNJGM-KBPBESRZSA-N 1 0 319.405 3.291 20 5 DGBDRO C[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000271847004 209264913 /nfs/dbraw/zinc/26/49/13/209264913.db2.gz HYCHBRSPPMHVKU-ZIAGYGMSSA-N 1 0 306.406 3.434 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000068989370 283723302 /nfs/dbraw/zinc/72/33/02/283723302.db2.gz BQAAIVXNGYXINI-UHFFFAOYSA-N 1 0 312.778 3.478 20 5 DGBDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000271809795 209236080 /nfs/dbraw/zinc/23/60/80/209236080.db2.gz AONWFSAKUAYBOI-PBHICJAKSA-N 1 0 320.433 3.303 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CC(C)(C)O)C1CC1 ZINC000189920175 432103824 /nfs/dbraw/zinc/10/38/24/432103824.db2.gz FHHVIUUDLLHTLU-UHFFFAOYSA-N 1 0 322.405 3.117 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(F)c1 ZINC000449069645 240002869 /nfs/dbraw/zinc/00/28/69/240002869.db2.gz XVFNGCFLLCMBEJ-CYBMUJFWSA-N 1 0 302.349 3.497 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC(=O)OC(C)(C)C ZINC000449173444 240051502 /nfs/dbraw/zinc/05/15/02/240051502.db2.gz LAFABSQTPUREOV-CYBMUJFWSA-N 1 0 322.405 3.237 20 5 DGBDRO CC(C)C[C@H](CCO)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449174237 240053136 /nfs/dbraw/zinc/05/31/36/240053136.db2.gz MIHDIZSMSOPYHA-CABCVRRESA-N 1 0 308.422 3.160 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000449197167 240062809 /nfs/dbraw/zinc/06/28/09/240062809.db2.gz UUDLFAXBGQBNOE-IIDMSEBBSA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCSCC(F)(F)F ZINC000449206252 240067907 /nfs/dbraw/zinc/06/79/07/240067907.db2.gz AIRINUJDHSVVOQ-JTQLQIEISA-N 1 0 322.352 3.411 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(F)(F)F)CC1 ZINC000449322055 240129192 /nfs/dbraw/zinc/12/91/92/240129192.db2.gz OARMEOUNUXNMIL-SNVBAGLBSA-N 1 0 302.296 3.458 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000449303039 240120758 /nfs/dbraw/zinc/12/07/58/240120758.db2.gz LSNOISZECYOFEE-MGPQQGTHSA-N 1 0 306.406 3.319 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COc2ccc(F)cc21 ZINC000449250306 240090688 /nfs/dbraw/zinc/09/06/88/240090688.db2.gz NVDGPNKRCAOACQ-ABAIWWIYSA-N 1 0 316.332 3.388 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000449324669 240130615 /nfs/dbraw/zinc/13/06/15/240130615.db2.gz GTUNDGRPYDJDJQ-PSVFENSKSA-N 1 0 308.381 3.454 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC[C@H]3CCOC3)C2)cc1 ZINC000449504862 240253949 /nfs/dbraw/zinc/25/39/49/240253949.db2.gz WJBGRLIRQDZBBK-GOEBONIOSA-N 1 0 304.390 3.201 20 5 DGBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449512548 240259565 /nfs/dbraw/zinc/25/95/65/240259565.db2.gz PRPBITBPCAIQQD-CABCVRRESA-N 1 0 320.389 3.115 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000449528045 240269298 /nfs/dbraw/zinc/26/92/98/240269298.db2.gz MUZOPDROPLSWGG-IMMZDGJCSA-N 1 0 304.415 3.435 20 5 DGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449552939 240281073 /nfs/dbraw/zinc/28/10/73/240281073.db2.gz KZEUSDAQAJFIFG-WWGRRREGSA-N 1 0 319.405 3.194 20 5 DGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449553154 240282243 /nfs/dbraw/zinc/28/22/43/240282243.db2.gz LTDALSAZAYFRDX-WWGRRREGSA-N 1 0 319.405 3.194 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(Cl)c1 ZINC000449557543 240288554 /nfs/dbraw/zinc/28/85/54/240288554.db2.gz UYVDZQGDSCBTAC-TYNCELHUSA-N 1 0 324.808 3.231 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449568359 240292186 /nfs/dbraw/zinc/29/21/86/240292186.db2.gz BAQASDBJJYRTPR-NFAWXSAZSA-N 1 0 314.389 3.408 20 5 DGBDRO CCCc1ncc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449611987 240320419 /nfs/dbraw/zinc/32/04/19/240320419.db2.gz IYZVSPSRIKGRMN-LBPRGKRZSA-N 1 0 303.362 3.256 20 5 DGBDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000171140710 432106398 /nfs/dbraw/zinc/10/63/98/432106398.db2.gz ZKIIRSMWJMDEDB-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091859266 193119505 /nfs/dbraw/zinc/11/95/05/193119505.db2.gz DMUMUXOINANPEP-QWHCGFSZSA-N 1 0 314.389 3.226 20 5 DGBDRO Cc1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000451544743 241164090 /nfs/dbraw/zinc/16/40/90/241164090.db2.gz FRIYMJLVYNTLLG-AWEZNQCLSA-N 1 0 301.346 3.271 20 5 DGBDRO CCOc1cc(C[N@H+]2CC[C@@H](OCC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000451548636 241169382 /nfs/dbraw/zinc/16/93/82/241169382.db2.gz VFTKKXPMJLOOCL-CZUORRHYSA-N 1 0 322.405 3.240 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC12CCCC2 ZINC000451464608 241131553 /nfs/dbraw/zinc/13/15/53/241131553.db2.gz ZBHCMAHNWOLZJK-OAHLLOKOSA-N 1 0 317.389 3.154 20 5 DGBDRO CO[C@@H]1C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451849990 241257116 /nfs/dbraw/zinc/25/71/16/241257116.db2.gz LFHJVGOXBKKIAU-HZPDHXFCSA-N 1 0 304.390 3.027 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451967929 241288326 /nfs/dbraw/zinc/28/83/26/241288326.db2.gz RUESGGYRFRWOKP-INIZCTEOSA-N 1 0 322.430 3.323 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@H](C)CCC1(C)C ZINC000452010108 241296803 /nfs/dbraw/zinc/29/68/03/241296803.db2.gz QGJNSZGEIFYDBK-GFCCVEGCSA-N 1 0 305.378 3.105 20 5 DGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000452015341 241299968 /nfs/dbraw/zinc/29/99/68/241299968.db2.gz VAEFYGVWNIOZTF-LLVKDONJSA-N 1 0 316.361 3.408 20 5 DGBDRO CCn1ccnc1[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000455088138 242105123 /nfs/dbraw/zinc/10/51/23/242105123.db2.gz ZGFSJDNRKLMDGY-LLVKDONJSA-N 1 0 317.349 3.002 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](C)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173363420 296127194 /nfs/dbraw/zinc/12/71/94/296127194.db2.gz AXWJNLZZKHKKOM-HUUCEWRRSA-N 1 0 305.422 3.366 20 5 DGBDRO CC[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000467558495 244000274 /nfs/dbraw/zinc/00/02/74/244000274.db2.gz BPDWZCWRZRFQPY-OOXMNIKJSA-N 1 0 304.390 3.499 20 5 DGBDRO COc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])ccc1C ZINC000467999069 244013670 /nfs/dbraw/zinc/01/36/70/244013670.db2.gz WGWUFMMKFOFQPH-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])CC2 ZINC000468001461 244014982 /nfs/dbraw/zinc/01/49/82/244014982.db2.gz CJOXESVGSFOTND-KRWDZBQOSA-N 1 0 312.369 3.423 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000468561155 244052970 /nfs/dbraw/zinc/05/29/70/244052970.db2.gz SCKXHYQPLGHJGO-VBNZEHGJSA-N 1 0 306.406 3.319 20 5 DGBDRO CO[C@@H]1CCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468617863 244055861 /nfs/dbraw/zinc/05/58/61/244055861.db2.gz CFYOWGVVRAVARM-QSNQCMLGSA-N 1 0 304.390 3.403 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181207781 432119127 /nfs/dbraw/zinc/11/91/27/432119127.db2.gz YQZYYORVFKISRJ-ZFWWWQNUSA-N 1 0 319.405 3.035 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)C[C@H](C)O ZINC000468641731 244056544 /nfs/dbraw/zinc/05/65/44/244056544.db2.gz FMPFBGQGYAMDFF-CZAWJFPGSA-N 1 0 306.406 3.385 20 5 DGBDRO CCOC[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470174866 244152258 /nfs/dbraw/zinc/15/22/58/244152258.db2.gz WZMNXEPFSQBPGK-SCZPIIQISA-N 1 0 304.390 3.357 20 5 DGBDRO CCOC[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470174864 244152793 /nfs/dbraw/zinc/15/27/93/244152793.db2.gz WZMNXEPFSQBPGK-IHWMJMDHSA-N 1 0 304.390 3.357 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178630 244155082 /nfs/dbraw/zinc/15/50/82/244155082.db2.gz LQKFVYKUJFROMZ-OBHPCNEJSA-N 1 0 317.433 3.272 20 5 DGBDRO CCC1(CO)CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470177408 244157352 /nfs/dbraw/zinc/15/73/52/244157352.db2.gz COJSPHDWBPUOBO-RVDMUPIBSA-N 1 0 318.417 3.483 20 5 DGBDRO CC[C@]1(CO)CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470203107 244159757 /nfs/dbraw/zinc/15/97/57/244159757.db2.gz AKAICSUYPALKGW-BXBOZWQASA-N 1 0 318.417 3.483 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119254583 284139058 /nfs/dbraw/zinc/13/90/58/284139058.db2.gz GUQJJMODDHBSJZ-GFCCVEGCSA-N 1 0 311.813 3.164 20 5 DGBDRO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000093302966 193226155 /nfs/dbraw/zinc/22/61/55/193226155.db2.gz WLRCPZDQCDUOFA-OAHLLOKOSA-N 1 0 314.385 3.368 20 5 DGBDRO C[C@@H](SCC[NH+](C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120221756 284163458 /nfs/dbraw/zinc/16/34/58/284163458.db2.gz VZHHTMGOXLJLGT-SNVBAGLBSA-N 1 0 322.390 3.001 20 5 DGBDRO CC(C)[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000120732165 284177217 /nfs/dbraw/zinc/17/72/17/284177217.db2.gz LGTGZVCEVYIIQN-RHSMWYFYSA-N 1 0 305.422 3.366 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCC1CCOCC1)C1CC1 ZINC000483130454 244835704 /nfs/dbraw/zinc/83/57/04/244835704.db2.gz WVCROAYHLUTQGS-KRWDZBQOSA-N 1 0 318.417 3.322 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)nc1 ZINC000282511226 217051372 /nfs/dbraw/zinc/05/13/72/217051372.db2.gz RYIUIIIZNKZJET-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2=CCCOC2)o1 ZINC000288387447 220125426 /nfs/dbraw/zinc/12/54/26/220125426.db2.gz GOCBTNKJQKRSIE-UHFFFAOYSA-N 1 0 314.341 3.291 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CCO)c1ccccc1 ZINC000283000189 217377955 /nfs/dbraw/zinc/37/79/55/217377955.db2.gz FOYDIZAZHBXSNT-INIZCTEOSA-N 1 0 318.348 3.289 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000266792351 205602631 /nfs/dbraw/zinc/60/26/31/205602631.db2.gz PPCUFZJMFOPNOW-GFCCVEGCSA-N 1 0 315.329 3.396 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000494591879 246168900 /nfs/dbraw/zinc/16/89/00/246168900.db2.gz LRFIJWYVLQITFD-MRXNPFEDSA-N 1 0 312.369 3.121 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000494476789 246153185 /nfs/dbraw/zinc/15/31/85/246153185.db2.gz PNILMBQMLQFONM-NOZJJQNGSA-N 1 0 318.295 3.271 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246480277 432136338 /nfs/dbraw/zinc/13/63/38/432136338.db2.gz DEVOATOBVIVDKA-NHYWBVRUSA-N 1 0 310.781 3.249 20 5 DGBDRO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000268799190 432136936 /nfs/dbraw/zinc/13/69/36/432136936.db2.gz XVQTXAOJKTXCFY-BPUTZDHNSA-N 1 0 303.406 3.181 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246531469 432142113 /nfs/dbraw/zinc/14/21/13/432142113.db2.gz JJJLIPVWPSIKIR-YOEHRIQHSA-N 1 0 315.417 3.044 20 5 DGBDRO C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000284396844 218011598 /nfs/dbraw/zinc/01/15/98/218011598.db2.gz MUNLOUNEYNXCOR-JTQLQIEISA-N 1 0 323.299 3.442 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2=Cc3ccccc3OC2)cc1 ZINC000105448205 194103850 /nfs/dbraw/zinc/10/38/50/194103850.db2.gz GTXOGWDJNBXNHY-UHFFFAOYSA-N 1 0 310.353 3.203 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nccs1 ZINC000284870344 218215096 /nfs/dbraw/zinc/21/50/96/218215096.db2.gz AYMQCYGRMIHGAW-UWVGGRQHSA-N 1 0 306.391 3.088 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284924338 218236364 /nfs/dbraw/zinc/23/63/64/218236364.db2.gz GPJSJSHQFOUPGI-KSXVNBEGSA-N 1 0 302.374 3.251 20 5 DGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000191566996 284781779 /nfs/dbraw/zinc/78/17/79/284781779.db2.gz XCZAWWKYLFLTFR-YOEHRIQHSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000285211117 218334783 /nfs/dbraw/zinc/33/47/83/218334783.db2.gz ONFLZDPZSOCHLA-ONGXEEELSA-N 1 0 320.418 3.396 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285340398 218388168 /nfs/dbraw/zinc/38/81/68/218388168.db2.gz UUFDLYZQCGEIPN-LRDDRELGSA-N 1 0 319.405 3.177 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285346605 218391380 /nfs/dbraw/zinc/39/13/80/218391380.db2.gz UZKZHYSYWSQVTO-GXTWGEPZSA-N 1 0 319.405 3.319 20 5 DGBDRO CCC[NH+]1CCC(N(C)Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000111241023 194410626 /nfs/dbraw/zinc/41/06/26/194410626.db2.gz DURZZIFNWJLRAC-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO CC[C@H]([NH2+]CCN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000268957428 207120987 /nfs/dbraw/zinc/12/09/87/207120987.db2.gz WLKVWUJDWHIBKW-ZDUSSCGKSA-N 1 0 319.327 3.130 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000268984754 207142160 /nfs/dbraw/zinc/14/21/60/207142160.db2.gz SKFFEKGLZSTKJZ-CQSZACIVSA-N 1 0 320.389 3.185 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000268996300 207154452 /nfs/dbraw/zinc/15/44/52/207154452.db2.gz XSHIMZXDZQDDTC-GFCCVEGCSA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)cccc1[N+](=O)[O-] ZINC000269123375 207259077 /nfs/dbraw/zinc/25/90/77/207259077.db2.gz YAOSIKQWVODNJJ-IGNZVWTISA-N 1 0 312.369 3.212 20 5 DGBDRO C[C@H]([NH2+]CCOc1ncccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000090408389 252612926 /nfs/dbraw/zinc/61/29/26/252612926.db2.gz CNYLGMGDUDPYEN-NSHDSACASA-N 1 0 321.764 3.373 20 5 DGBDRO CC[N@H+](CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC000085636948 252597880 /nfs/dbraw/zinc/59/78/80/252597880.db2.gz ZOOKRRNUXCCIQN-UHFFFAOYSA-N 1 0 322.409 3.063 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000119992209 195076051 /nfs/dbraw/zinc/07/60/51/195076051.db2.gz WUQYCKVRWSRHQM-OAHLLOKOSA-N 1 0 319.405 3.400 20 5 DGBDRO COc1cc(NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000295924558 533025366 /nfs/dbraw/zinc/02/53/66/533025366.db2.gz GSNSIHPPIFISEZ-UHFFFAOYSA-N 1 0 305.378 3.032 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cc1 ZINC000337300996 253081757 /nfs/dbraw/zinc/08/17/57/253081757.db2.gz PRIFOHXMXVYRAZ-CHWSQXEVSA-N 1 0 300.305 3.235 20 5 DGBDRO CC(C)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000337320801 253086247 /nfs/dbraw/zinc/08/62/47/253086247.db2.gz BKFKHVJSUOSIMW-UHFFFAOYSA-N 1 0 307.394 3.290 20 5 DGBDRO CCSCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000337262460 253072940 /nfs/dbraw/zinc/07/29/40/253072940.db2.gz QYAPFAUQQIOLNO-UHFFFAOYSA-N 1 0 320.361 3.429 20 5 DGBDRO COCC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000337386896 253103997 /nfs/dbraw/zinc/10/39/97/253103997.db2.gz FZIXWZYKHZFYKI-MRXNPFEDSA-N 1 0 318.417 3.322 20 5 DGBDRO COCC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000337410884 253110258 /nfs/dbraw/zinc/11/02/58/253110258.db2.gz WSONIHBMKTVREO-AWEZNQCLSA-N 1 0 306.406 3.322 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000337446188 253117227 /nfs/dbraw/zinc/11/72/27/253117227.db2.gz CGROLBVKXPFCDY-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000337481905 253124157 /nfs/dbraw/zinc/12/41/57/253124157.db2.gz WGVLMHLSNHGNPS-UHIISALHSA-N 1 0 316.361 3.484 20 5 DGBDRO C[C@H](CO)CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000270266882 208330927 /nfs/dbraw/zinc/33/09/27/208330927.db2.gz JOGYUUYVBYVYPJ-ZDUSSCGKSA-N 1 0 318.373 3.353 20 5 DGBDRO CC(C)[NH+]1CCN(CCCSc2cccc([N+](=O)[O-])c2)CC1 ZINC000337761181 253170911 /nfs/dbraw/zinc/17/09/11/253170911.db2.gz PFSWJXKEJMGHOA-UHFFFAOYSA-N 1 0 323.462 3.103 20 5 DGBDRO CC[NH+](CC)CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000338287781 253258200 /nfs/dbraw/zinc/25/82/00/253258200.db2.gz SSSYTMDUPONYSG-UHFFFAOYSA-N 1 0 305.422 3.291 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000338631516 253322501 /nfs/dbraw/zinc/32/25/01/253322501.db2.gz GAVJNVBDEHGXNL-AWEZNQCLSA-N 1 0 321.402 3.380 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000338687546 253335022 /nfs/dbraw/zinc/33/50/22/253335022.db2.gz IHMAJXUJBFHCKK-ZDUSSCGKSA-N 1 0 307.394 3.280 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338728661 253343000 /nfs/dbraw/zinc/34/30/00/253343000.db2.gz ZSIUDVHDEGTNNH-CZUORRHYSA-N 1 0 300.362 3.189 20 5 DGBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272963845 210351201 /nfs/dbraw/zinc/35/12/01/210351201.db2.gz NYQWHVIBXLIJRA-HNNXBMFYSA-N 1 0 312.797 3.375 20 5 DGBDRO CCOC[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255146449 285134402 /nfs/dbraw/zinc/13/44/02/285134402.db2.gz ZHJFSHLQYXTOSC-AJHXJQRKSA-N 1 0 304.390 3.357 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCO)Cc1ccccc1 ZINC000255122709 285132117 /nfs/dbraw/zinc/13/21/17/285132117.db2.gz QKIXHFQWAXZDPM-POHAHGRESA-N 1 0 312.369 3.103 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255295510 285143178 /nfs/dbraw/zinc/14/31/78/285143178.db2.gz CGSIYTKLHYQRQG-GQSKFBFOSA-N 1 0 303.406 3.024 20 5 DGBDRO Cc1cc(NCCC[C@H](C)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272883413 210272227 /nfs/dbraw/zinc/27/22/27/210272227.db2.gz VZJZBVXAKNGUDA-NSHDSACASA-N 1 0 303.362 3.272 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1CCCCC1)CCC2 ZINC000192641559 285144493 /nfs/dbraw/zinc/14/44/93/285144493.db2.gz JJKWLEZDQIJVJQ-QGZVFWFLSA-N 1 0 303.406 3.048 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000492977066 285154299 /nfs/dbraw/zinc/15/42/99/285154299.db2.gz OTSNXTUIAICVNA-CYBMUJFWSA-N 1 0 323.824 3.308 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000432325899 285155216 /nfs/dbraw/zinc/15/52/16/285155216.db2.gz NNGXZCQVWXAHCV-GFCCVEGCSA-N 1 0 309.797 3.313 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000158041179 197238824 /nfs/dbraw/zinc/23/88/24/197238824.db2.gz ARYTWKAZOLBTPS-MLGOLLRUSA-N 1 0 324.421 3.441 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)C1CC1 ZINC000160465834 285161291 /nfs/dbraw/zinc/16/12/91/285161291.db2.gz VDUZXAIRCXCBAF-NUJGCVRESA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000157669243 197207203 /nfs/dbraw/zinc/20/72/03/197207203.db2.gz UWEBUVWMYFECHU-ZDUSSCGKSA-N 1 0 314.389 3.227 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000157634398 197203828 /nfs/dbraw/zinc/20/38/28/197203828.db2.gz KXKGIDZDCBUNPZ-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO CC[C@H](C)[NH2+][C@H](CNc1nccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000343245232 254119501 /nfs/dbraw/zinc/11/95/01/254119501.db2.gz BVNHLYZDXIARAI-QWHCGFSZSA-N 1 0 318.377 3.433 20 5 DGBDRO CC[C@H](C)[NH2+][C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000343257872 254121409 /nfs/dbraw/zinc/12/14/09/254121409.db2.gz ZSLRTLZXTCYGNL-WCQYABFASA-N 1 0 304.350 3.124 20 5 DGBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ncc([N+](=O)[O-])cc1C)c1ccco1 ZINC000343272105 254122491 /nfs/dbraw/zinc/12/24/91/254122491.db2.gz POJWMKTVAJCTDP-OCCSQVGLSA-N 1 0 318.377 3.433 20 5 DGBDRO CCOc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000343618291 254168581 /nfs/dbraw/zinc/16/85/81/254168581.db2.gz FDFAACOZBZXDQG-HIFRSBDPSA-N 1 0 319.405 3.057 20 5 DGBDRO CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000343888006 254199978 /nfs/dbraw/zinc/19/99/78/254199978.db2.gz UDFUFZWIXGQTKG-KGLIPLIRSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000343940163 254204605 /nfs/dbraw/zinc/20/46/05/254204605.db2.gz DCZWGWVUHBXZKJ-CQSZACIVSA-N 1 0 307.394 3.280 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344066165 254220326 /nfs/dbraw/zinc/22/03/26/254220326.db2.gz PTDZOSRBZPCUCG-QWHCGFSZSA-N 1 0 319.405 3.290 20 5 DGBDRO CC[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344283010 254250695 /nfs/dbraw/zinc/25/06/95/254250695.db2.gz WCDFHVSKVZLTFQ-WBMJQRKESA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H]([NH2+][C@@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000343993351 254210634 /nfs/dbraw/zinc/21/06/34/254210634.db2.gz ZJJUBYGDUWCXBY-GUYCJALGSA-N 1 0 300.358 3.369 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCOC1 ZINC000344622459 254290020 /nfs/dbraw/zinc/29/00/20/254290020.db2.gz ZCJMVQXUJOWVEN-GXTWGEPZSA-N 1 0 316.357 3.369 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000344330224 254257314 /nfs/dbraw/zinc/25/73/14/254257314.db2.gz NWJOLFUCXZKDJC-CVEARBPZSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000157003060 197155190 /nfs/dbraw/zinc/15/51/90/197155190.db2.gz QOAOOGPUASMBBJ-ABAIWWIYSA-N 1 0 306.387 3.215 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)Cn1ccnc1 ZINC000344816341 254308146 /nfs/dbraw/zinc/30/81/46/254308146.db2.gz CRMVOYCONJLYTM-UJMHRVFCSA-N 1 0 314.389 3.121 20 5 DGBDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000155990149 197078953 /nfs/dbraw/zinc/07/89/53/197078953.db2.gz DCEZEHWEJINEPN-NSHDSACASA-N 1 0 303.362 3.401 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154961435 197008457 /nfs/dbraw/zinc/00/84/57/197008457.db2.gz BVNJNUBNDNGYEN-IUODEOHRSA-N 1 0 303.362 3.141 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000291746751 285250376 /nfs/dbraw/zinc/25/03/76/285250376.db2.gz PPBITPLQRKVLQW-MEDUHNTESA-N 1 0 318.398 3.448 20 5 DGBDRO COCCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120447631 195169324 /nfs/dbraw/zinc/16/93/24/195169324.db2.gz PXFZKCHGYSURJC-UHFFFAOYSA-N 1 0 304.346 3.323 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCCOC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000120600265 195198313 /nfs/dbraw/zinc/19/83/13/195198313.db2.gz RZSXEUHUWGHJSM-GDBMZVCRSA-N 1 0 322.405 3.140 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCC[C@H](C)CO)cc1[N+](=O)[O-] ZINC000271583666 209033917 /nfs/dbraw/zinc/03/39/17/209033917.db2.gz XGAABCJEWPNHKM-STQMWFEESA-N 1 0 310.394 3.053 20 5 DGBDRO Cc1c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289480029 221004785 /nfs/dbraw/zinc/00/47/85/221004785.db2.gz IEGFXPLJSZLMJI-IAGOWNOFSA-N 1 0 316.401 3.437 20 5 DGBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000322167880 285306666 /nfs/dbraw/zinc/30/66/66/285306666.db2.gz NMGAPEBTWBEIRQ-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO CC[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)OC ZINC000289696008 221161231 /nfs/dbraw/zinc/16/12/31/221161231.db2.gz DJPZITNZHQDUHX-AWEZNQCLSA-N 1 0 321.402 3.233 20 5 DGBDRO Cc1cc(NC[C@@H](C)CCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000294854118 224266953 /nfs/dbraw/zinc/26/69/53/224266953.db2.gz BKVYRAZOFCXIMR-NSHDSACASA-N 1 0 303.362 3.272 20 5 DGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000289824552 221250832 /nfs/dbraw/zinc/25/08/32/221250832.db2.gz OHINDZNDSCERKV-AWEZNQCLSA-N 1 0 322.405 3.253 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000151336346 196666709 /nfs/dbraw/zinc/66/67/09/196666709.db2.gz DOUVSOZTKXAVCI-GOEBONIOSA-N 1 0 322.430 3.048 20 5 DGBDRO C[NH+](C)C1(CNc2nccc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000295093655 224431655 /nfs/dbraw/zinc/43/16/55/224431655.db2.gz SMIKJWCJUURPQU-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO CC(C)c1ccc(CN2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000352535698 285353689 /nfs/dbraw/zinc/35/36/89/285353689.db2.gz UMJMPIZQZMEMLU-HNNXBMFYSA-N 1 0 305.422 3.422 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CCCCO1 ZINC000470174522 533381546 /nfs/dbraw/zinc/38/15/46/533381546.db2.gz LROMUWLEKAWCLM-OOXMNIKJSA-N 1 0 304.390 3.499 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000470178857 533406416 /nfs/dbraw/zinc/40/64/16/533406416.db2.gz OXLCCDNSOMTEFU-IDJPSDCMSA-N 1 0 316.401 3.499 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000470210211 533406706 /nfs/dbraw/zinc/40/67/06/533406706.db2.gz AFGQMWHBZMMULZ-JRIYGVKESA-N 1 0 318.417 3.481 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000447798425 533425111 /nfs/dbraw/zinc/42/51/11/533425111.db2.gz WMPUCLCLLKORIO-CJNGLKHVSA-N 1 0 305.422 3.366 20 5 DGBDRO C[C@@H](CCCC[NH3+])Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000310966396 533541513 /nfs/dbraw/zinc/54/15/13/533541513.db2.gz BTGQIJXUZLVEIE-VIFPVBQESA-N 1 0 316.199 3.287 20 5 DGBDRO C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000301812598 533551928 /nfs/dbraw/zinc/55/19/28/533551928.db2.gz YMGFVPMBSCVWAS-SECBINFHSA-N 1 0 301.337 3.261 20 5 DGBDRO Cc1c([C@H](C)NC[C@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000165302826 292878519 /nfs/dbraw/zinc/87/85/19/292878519.db2.gz VNZGFGHVIVESBT-ZFWWWQNUSA-N 1 0 305.422 3.286 20 5 DGBDRO CCc1ccc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000356746382 285469958 /nfs/dbraw/zinc/46/99/58/285469958.db2.gz YVVNDGYDAWVDNZ-MRXNPFEDSA-N 1 0 316.405 3.378 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)s1 ZINC000066410736 400086429 /nfs/dbraw/zinc/08/64/29/400086429.db2.gz TZWWDNBESZACDE-UHFFFAOYSA-N 1 0 317.414 3.369 20 5 DGBDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595043386 400086839 /nfs/dbraw/zinc/08/68/39/400086839.db2.gz XCORSNNXWGZYEG-LBPRGKRZSA-N 1 0 310.394 3.195 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H](O)C(C)C ZINC000595043892 400087068 /nfs/dbraw/zinc/08/70/68/400087068.db2.gz BHRBETNWCZGZQS-DIOULYMOSA-N 1 0 310.394 3.050 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000595049505 400089676 /nfs/dbraw/zinc/08/96/76/400089676.db2.gz CPTOKJBAJNUKLO-XQHKEYJVSA-N 1 0 308.378 3.068 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@H](OC)C1CC1 ZINC000595052101 400090100 /nfs/dbraw/zinc/09/01/00/400090100.db2.gz QOAIUILXNQQOFI-USBNGQNGSA-N 1 0 308.378 3.068 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000595052916 400090390 /nfs/dbraw/zinc/09/03/90/400090390.db2.gz STIWSLKVTZQHRD-PRXAMGSTSA-N 1 0 322.405 3.458 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000595051753 400090721 /nfs/dbraw/zinc/09/07/21/400090721.db2.gz NRXVKMXFQGPBRE-CHWSQXEVSA-N 1 0 322.405 3.459 20 5 DGBDRO CCOCCC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000584731394 400095662 /nfs/dbraw/zinc/09/56/62/400095662.db2.gz XIKLMEDCZWYGIV-HNNXBMFYSA-N 1 0 304.390 3.379 20 5 DGBDRO CC(C)(C)OCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595077404 400100588 /nfs/dbraw/zinc/10/05/88/400100588.db2.gz QVPGAWSUMUQFAE-ZIAGYGMSSA-N 1 0 324.425 3.070 20 5 DGBDRO CCCN1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097569 400104968 /nfs/dbraw/zinc/10/49/68/400104968.db2.gz XQISLHZLSKMYAQ-WMLDXEAASA-N 1 0 303.406 3.046 20 5 DGBDRO CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595107685 400108019 /nfs/dbraw/zinc/10/80/19/400108019.db2.gz PUMPVSHJYAUGRK-CZUORRHYSA-N 1 0 304.390 3.377 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000595023048 400079744 /nfs/dbraw/zinc/07/97/44/400079744.db2.gz WVCAKWYTFAKADY-RWMBFGLXSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O ZINC000595025029 400080873 /nfs/dbraw/zinc/08/08/73/400080873.db2.gz DPTFPOIXUNKICW-NEPJUHHUSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000595027153 400081746 /nfs/dbraw/zinc/08/17/46/400081746.db2.gz PMBHGKPHBMGGTR-BLLLJJGKSA-N 1 0 322.405 3.051 20 5 DGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000090909902 400082722 /nfs/dbraw/zinc/08/27/22/400082722.db2.gz YHAMEZBNARYQBI-LBPRGKRZSA-N 1 0 315.329 3.396 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@](C)(OC)C1CC1 ZINC000595039662 400084541 /nfs/dbraw/zinc/08/45/41/400084541.db2.gz UZFYCAIEUCLHTO-ZBEGNZNMSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000595037320 400084814 /nfs/dbraw/zinc/08/48/14/400084814.db2.gz DVMVKBKUZBAJFM-QWRGUYRKSA-N 1 0 317.345 3.116 20 5 DGBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595519505 400174743 /nfs/dbraw/zinc/17/47/43/400174743.db2.gz KSPOHXMMDIMGHP-HUUCEWRRSA-N 1 0 308.353 3.123 20 5 DGBDRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC000595518455 400175548 /nfs/dbraw/zinc/17/55/48/400175548.db2.gz AIAPRXSCBYBPHF-ZDUSSCGKSA-N 1 0 315.348 3.427 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595323391 400126783 /nfs/dbraw/zinc/12/67/83/400126783.db2.gz NDAPWLMCGAKROR-KRWDZBQOSA-N 1 0 315.373 3.445 20 5 DGBDRO Cc1noc(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595322152 400127216 /nfs/dbraw/zinc/12/72/16/400127216.db2.gz MGRLFWSXLHFJKT-SMDDNHRTSA-N 1 0 301.346 3.269 20 5 DGBDRO CC1(C)C[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CO1 ZINC000595330714 400128756 /nfs/dbraw/zinc/12/87/56/400128756.db2.gz NYCLJUYPTQNEDH-AWEZNQCLSA-N 1 0 320.389 3.006 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000595327899 400128940 /nfs/dbraw/zinc/12/89/40/400128940.db2.gz DQAGJSSMTOFOMR-MRXNPFEDSA-N 1 0 321.396 3.184 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000595422062 400143683 /nfs/dbraw/zinc/14/36/83/400143683.db2.gz NLJSCOGOFDTDQN-UONOGXRCSA-N 1 0 322.380 3.373 20 5 DGBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N(C)C ZINC000609223251 400152461 /nfs/dbraw/zinc/15/24/61/400152461.db2.gz AVXYLHMYLPSXKL-GFCCVEGCSA-N 1 0 319.430 3.363 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC4(CCC4)CC3)nc2c1 ZINC000586783200 400154826 /nfs/dbraw/zinc/15/48/26/400154826.db2.gz BYSRVHVQLASJQQ-UHFFFAOYSA-N 1 0 300.362 3.237 20 5 DGBDRO COc1ccc(OCC[NH+]2CCC3(CCC3)CC2)c([N+](=O)[O-])c1 ZINC000586783094 400154892 /nfs/dbraw/zinc/15/48/92/400154892.db2.gz WHVSCXBPBAQQJQ-UHFFFAOYSA-N 1 0 320.389 3.248 20 5 DGBDRO Cc1c(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cccc1[N+](=O)[O-] ZINC000318682542 400159087 /nfs/dbraw/zinc/15/90/87/400159087.db2.gz AYLHMJLMEGHTFG-ZDUSSCGKSA-N 1 0 305.378 3.139 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCc2ccccc2CC1 ZINC000609705577 400187789 /nfs/dbraw/zinc/18/77/89/400187789.db2.gz KIFPYGOIPKTSMZ-UHFFFAOYSA-N 1 0 300.333 3.335 20 5 DGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000320569580 400165731 /nfs/dbraw/zinc/16/57/31/400165731.db2.gz MAERVJGAZLDIPR-LBPRGKRZSA-N 1 0 302.378 3.284 20 5 DGBDRO C[NH+](C)Cc1cccc(NCc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000600848719 400167954 /nfs/dbraw/zinc/16/79/54/400167954.db2.gz JDFOCIPOLAYBMV-UHFFFAOYSA-N 1 0 303.337 3.408 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505237 400170775 /nfs/dbraw/zinc/17/07/75/400170775.db2.gz QZRXCJJCZSRFLN-YJBOKZPZSA-N 1 0 317.433 3.382 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC000093106589 400226369 /nfs/dbraw/zinc/22/63/69/400226369.db2.gz HBECCFXFZYOQNM-CQSZACIVSA-N 1 0 306.406 3.313 20 5 DGBDRO O=[N+]([O-])c1sccc1N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000601172229 400256211 /nfs/dbraw/zinc/25/62/11/400256211.db2.gz YBRDOAFOZPGKSY-UHFFFAOYSA-N 1 0 317.414 3.415 20 5 DGBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000093282795 400236560 /nfs/dbraw/zinc/23/65/60/400236560.db2.gz JKCDZVOYDOOSFT-AWEZNQCLSA-N 1 0 320.389 3.006 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CCO ZINC000595706959 400237051 /nfs/dbraw/zinc/23/70/51/400237051.db2.gz ZPSBYBOXPISHGD-IAQYHMDHSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](CO)C3)s2)cc1 ZINC000601139355 400246965 /nfs/dbraw/zinc/24/69/65/400246965.db2.gz BKNTURJZOXKBJC-BJHJDKERSA-N 1 0 318.398 3.184 20 5 DGBDRO C[C@H]1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000093503329 400247604 /nfs/dbraw/zinc/24/76/04/400247604.db2.gz KOCSIJRUNJBSLE-STQMWFEESA-N 1 0 314.389 3.083 20 5 DGBDRO COc1ccc(OCC[N@H+](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000610367572 400251109 /nfs/dbraw/zinc/25/11/09/400251109.db2.gz BXYTVNCQOWXGKD-UHFFFAOYSA-N 1 0 322.386 3.176 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(CN3C[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000595567012 400190992 /nfs/dbraw/zinc/19/09/92/400190992.db2.gz QWGPUNIRJXPTST-JSGCOSHPSA-N 1 0 314.345 3.019 20 5 DGBDRO Cc1cc(N(CC[NH+](C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000092682120 400194428 /nfs/dbraw/zinc/19/44/28/400194428.db2.gz KPEOAYDYMFFNJH-UHFFFAOYSA-N 1 0 303.362 3.064 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])cn2)c1 ZINC000067710828 400196692 /nfs/dbraw/zinc/19/66/92/400196692.db2.gz OYYRZGGAEIGREB-UHFFFAOYSA-N 1 0 300.362 3.054 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCCCCC3)o2)cc1 ZINC000023991012 400214194 /nfs/dbraw/zinc/21/41/94/400214194.db2.gz ZEGVJWOEBIBAMA-UHFFFAOYSA-N 1 0 302.334 3.021 20 5 DGBDRO CCC(C)(C)[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595641364 400216876 /nfs/dbraw/zinc/21/68/76/400216876.db2.gz JWANRWAQGULXND-GFCCVEGCSA-N 1 0 307.394 3.338 20 5 DGBDRO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595826038 400272574 /nfs/dbraw/zinc/27/25/74/400272574.db2.gz JRZYLHMBIFXLST-KRWDZBQOSA-N 1 0 311.385 3.306 20 5 DGBDRO CC(C)CC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595830980 400274908 /nfs/dbraw/zinc/27/49/08/400274908.db2.gz IUJCXTAESOUDCJ-UHFFFAOYSA-N 1 0 305.378 3.092 20 5 DGBDRO CCC[C@H](CCO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000601289336 400285459 /nfs/dbraw/zinc/28/54/59/400285459.db2.gz LIHASDUKYPZNJH-CVEARBPZSA-N 1 0 306.406 3.057 20 5 DGBDRO CCC[C@H](CCO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000601289338 400285778 /nfs/dbraw/zinc/28/57/78/400285778.db2.gz LIHASDUKYPZNJH-HZPDHXFCSA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000595910852 400292217 /nfs/dbraw/zinc/29/22/17/400292217.db2.gz SWSVVQPSUUGWIU-OLZOCXBDSA-N 1 0 319.405 3.208 20 5 DGBDRO Cc1c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cccc1[N+](=O)[O-] ZINC000610701324 400293230 /nfs/dbraw/zinc/29/32/30/400293230.db2.gz VPDXBVRZEZZDPP-UHFFFAOYSA-N 1 0 322.368 3.379 20 5 DGBDRO Cc1nc(N2CCC(C[NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000610754724 400301952 /nfs/dbraw/zinc/30/19/52/400301952.db2.gz FNZUHCKOCSRHFP-UHFFFAOYSA-N 1 0 318.421 3.001 20 5 DGBDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000610788067 400305849 /nfs/dbraw/zinc/30/58/49/400305849.db2.gz SHDGCEKSCHHOTR-KRWDZBQOSA-N 1 0 314.389 3.047 20 5 DGBDRO Cc1cc(N[C@H](C)C[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589584743 400306317 /nfs/dbraw/zinc/30/63/17/400306317.db2.gz OECQLCLGVOYLOM-YPMHNXCESA-N 1 0 315.373 3.100 20 5 DGBDRO CC1CCC(O)(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000596057790 400306691 /nfs/dbraw/zinc/30/66/91/400306691.db2.gz AXRWCKNZKVMJTI-XQRVVYSFSA-N 1 0 304.390 3.139 20 5 DGBDRO CC[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+]1CCCC1 ZINC000029623252 400312002 /nfs/dbraw/zinc/31/20/02/400312002.db2.gz CHCHVWNQFREJSU-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO C[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094079 400315852 /nfs/dbraw/zinc/31/58/52/400315852.db2.gz JFAHHGWXDVSELL-ZBFHGGJFSA-N 1 0 317.433 3.367 20 5 DGBDRO C[NH2+]C[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596106366 400318547 /nfs/dbraw/zinc/31/85/47/400318547.db2.gz PKGWXERKYDJJJN-NSHDSACASA-N 1 0 305.403 3.021 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cs1 ZINC000595788281 400259341 /nfs/dbraw/zinc/25/93/41/400259341.db2.gz IFMSHZGVVBFVIC-KGLIPLIRSA-N 1 0 310.419 3.437 20 5 DGBDRO CC(C)c1ccc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000610447797 400259946 /nfs/dbraw/zinc/25/99/46/400259946.db2.gz BNGZCACRKFNJIO-UHFFFAOYSA-N 1 0 316.405 3.440 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000589113288 400261033 /nfs/dbraw/zinc/26/10/33/400261033.db2.gz ILHCAPKVQFXTAP-NSHDSACASA-N 1 0 317.311 3.144 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC1CC1 ZINC000611337463 400380224 /nfs/dbraw/zinc/38/02/24/400380224.db2.gz KUJAABWCZCJCPN-UONOGXRCSA-N 1 0 324.446 3.216 20 5 DGBDRO COc1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000113543705 400380443 /nfs/dbraw/zinc/38/04/43/400380443.db2.gz OANMQYNIWUUWMA-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000611346841 400382511 /nfs/dbraw/zinc/38/25/11/400382511.db2.gz MSZATXSJPLUSAV-UHFFFAOYSA-N 1 0 308.378 3.196 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000589949724 400341455 /nfs/dbraw/zinc/34/14/55/400341455.db2.gz KQEBNMZEJGVELT-UFGOTCBOSA-N 1 0 318.295 3.091 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1OC[C@H]1CCCC[N@@H+]1C(C)C ZINC000596242381 400358219 /nfs/dbraw/zinc/35/82/19/400358219.db2.gz PDYAJNYQYWKCSI-CQSZACIVSA-N 1 0 308.378 3.245 20 5 DGBDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611254215 400365141 /nfs/dbraw/zinc/36/51/41/400365141.db2.gz UDAJLSHOURVWII-JSGCOSHPSA-N 1 0 320.389 3.377 20 5 DGBDRO CC(C)(CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000590196523 400369033 /nfs/dbraw/zinc/36/90/33/400369033.db2.gz JXZGFUTVRICPEP-UHFFFAOYSA-N 1 0 320.389 3.282 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)C2CCCCC2)c(F)c1 ZINC000590194623 400369187 /nfs/dbraw/zinc/36/91/87/400369187.db2.gz YQIHMWSXIAYGAW-CQSZACIVSA-N 1 0 310.369 3.012 20 5 DGBDRO COc1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000596306581 400375559 /nfs/dbraw/zinc/37/55/59/400375559.db2.gz GTAIIEHKGMBREA-JTQLQIEISA-N 1 0 311.357 3.027 20 5 DGBDRO COc1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000596306582 400375580 /nfs/dbraw/zinc/37/55/80/400375580.db2.gz GTAIIEHKGMBREA-SNVBAGLBSA-N 1 0 311.357 3.027 20 5 DGBDRO CC(=O)c1ccc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596306867 400375825 /nfs/dbraw/zinc/37/58/25/400375825.db2.gz JBSQYASWTRXZJJ-CYBMUJFWSA-N 1 0 319.405 3.330 20 5 DGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072698042 400398520 /nfs/dbraw/zinc/39/85/20/400398520.db2.gz OTNFLDVAJQHLLB-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072698045 400398790 /nfs/dbraw/zinc/39/87/90/400398790.db2.gz OTNFLDVAJQHLLB-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)C([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000611434177 400400452 /nfs/dbraw/zinc/40/04/52/400400452.db2.gz USDURLCZMLZMSV-UHFFFAOYSA-N 1 0 318.377 3.415 20 5 DGBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000611442818 400402896 /nfs/dbraw/zinc/40/28/96/400402896.db2.gz GFHLHJNTFPHCPE-HNNXBMFYSA-N 1 0 302.378 3.149 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000611470138 400406774 /nfs/dbraw/zinc/40/67/74/400406774.db2.gz DSADFTGUKMFPPO-GZBFAFLISA-N 1 0 306.406 3.055 20 5 DGBDRO C[C@H]1C[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000072873034 400410457 /nfs/dbraw/zinc/41/04/57/400410457.db2.gz FLRCXAOHULHOSQ-STQMWFEESA-N 1 0 315.373 3.380 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000590659557 400412372 /nfs/dbraw/zinc/41/23/72/400412372.db2.gz KGGFEYKXQPTWTD-WBVHZDCISA-N 1 0 316.401 3.376 20 5 DGBDRO CC[C@H]1c2ccsc2CC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000611618811 400430065 /nfs/dbraw/zinc/43/00/65/400430065.db2.gz PHFILTHHJZNYRN-ZDUSSCGKSA-N 1 0 320.418 3.171 20 5 DGBDRO CCC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000611579929 400427283 /nfs/dbraw/zinc/42/72/83/400427283.db2.gz ZWVXXQNZJOAHJG-HNNXBMFYSA-N 1 0 302.378 3.231 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000073602874 400459020 /nfs/dbraw/zinc/45/90/20/400459020.db2.gz VKNLQWJAULKJHX-TXEJJXNPSA-N 1 0 316.361 3.123 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000596570065 400446549 /nfs/dbraw/zinc/44/65/49/400446549.db2.gz IPWACWGGMJGPEK-CYBMUJFWSA-N 1 0 307.369 3.268 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccccc3)CCOCC2)cs1 ZINC000074319139 400504717 /nfs/dbraw/zinc/50/47/17/400504717.db2.gz BIYCRDXMCLGWFU-UHFFFAOYSA-N 1 0 318.398 3.452 20 5 DGBDRO CCC1(O)CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000612188704 400505318 /nfs/dbraw/zinc/50/53/18/400505318.db2.gz ZMUKHPNMRVKFDR-UHFFFAOYSA-N 1 0 312.797 3.422 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CCC[NH2+]CC3)o2)c1 ZINC000591278572 400505507 /nfs/dbraw/zinc/50/55/07/400505507.db2.gz RWROIZCDKRREHX-CQSZACIVSA-N 1 0 315.373 3.087 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000611905560 400462854 /nfs/dbraw/zinc/46/28/54/400462854.db2.gz BECSZMQXUGIZRR-MRXNPFEDSA-N 1 0 316.405 3.477 20 5 DGBDRO Cc1ccncc1[C@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000611939613 400466665 /nfs/dbraw/zinc/46/66/65/400466665.db2.gz RVXINLCLVUNHNW-AWEZNQCLSA-N 1 0 315.373 3.418 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCCCCC3)n2)c1 ZINC000043782957 400478729 /nfs/dbraw/zinc/47/87/29/400478729.db2.gz JODOIGPLBSLFJK-UHFFFAOYSA-N 1 0 302.334 3.021 20 5 DGBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602516331 400485897 /nfs/dbraw/zinc/48/58/97/400485897.db2.gz ZCNWELZQVGAGBO-NKWVEPMBSA-N 1 0 305.197 3.164 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000602519473 400486911 /nfs/dbraw/zinc/48/69/11/400486911.db2.gz ZZGYZXXMPWXQIP-JTQLQIEISA-N 1 0 318.295 3.130 20 5 DGBDRO COc1cc(C[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000602519393 400486956 /nfs/dbraw/zinc/48/69/56/400486956.db2.gz XXFKZWMTGVVANP-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO Cc1nc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000126542060 400493577 /nfs/dbraw/zinc/49/35/77/400493577.db2.gz RCAZHFYUHDEKHF-OAHLLOKOSA-N 1 0 317.414 3.471 20 5 DGBDRO CC1(C)CCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602563893 400497310 /nfs/dbraw/zinc/49/73/10/400497310.db2.gz HPBJVOMPHSEZGD-HNNXBMFYSA-N 1 0 318.421 3.127 20 5 DGBDRO COCCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602569048 400498984 /nfs/dbraw/zinc/49/89/84/400498984.db2.gz PODOONKQMLMTDX-UHFFFAOYSA-N 1 0 319.361 3.032 20 5 DGBDRO CC(C)=CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602631855 400517911 /nfs/dbraw/zinc/51/79/11/400517911.db2.gz FKFBFXUPRYVWRD-UHFFFAOYSA-N 1 0 305.197 3.475 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000602641946 400521351 /nfs/dbraw/zinc/52/13/51/400521351.db2.gz VXMCXJIPYRCEPL-ZDUSSCGKSA-N 1 0 318.295 3.128 20 5 DGBDRO Cc1ncc([C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000602651033 400525140 /nfs/dbraw/zinc/52/51/40/400525140.db2.gz OOMPIUVZNLFJTJ-CYBMUJFWSA-N 1 0 314.389 3.237 20 5 DGBDRO Cc1cc(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000591442810 400526372 /nfs/dbraw/zinc/52/63/72/400526372.db2.gz UNBAVFVKTDCKIG-UONOGXRCSA-N 1 0 321.396 3.258 20 5 DGBDRO Cc1cc(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000591442808 400526616 /nfs/dbraw/zinc/52/66/16/400526616.db2.gz UNBAVFVKTDCKIG-KBPBESRZSA-N 1 0 321.396 3.258 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3[C@H]4Cc5ccccc5[C@@H]34)nc2c1 ZINC000602661540 400528361 /nfs/dbraw/zinc/52/83/61/400528361.db2.gz DVMJPORPMSDMAZ-MORSLUCNSA-N 1 0 321.336 3.164 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1=CCCOC1 ZINC000602661427 400528468 /nfs/dbraw/zinc/52/84/68/400528468.db2.gz FIWHJSFGALDAPG-UHFFFAOYSA-N 1 0 316.279 3.050 20 5 DGBDRO Cc1cc(NCCCC[N@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000074740937 400531412 /nfs/dbraw/zinc/53/14/12/400531412.db2.gz BIUHAZMVFFIHHC-CYBMUJFWSA-N 1 0 306.410 3.222 20 5 DGBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(C)(C)CO ZINC000602682198 400537973 /nfs/dbraw/zinc/53/79/73/400537973.db2.gz ZMYWOVBAMBJQFE-UHFFFAOYSA-N 1 0 320.311 3.064 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3C[C@H]3C3CCC3)nc2c1 ZINC000602695406 400541917 /nfs/dbraw/zinc/54/19/17/400541917.db2.gz SRFCERGEEGLFBR-AAEUAGOBSA-N 1 0 301.346 3.262 20 5 DGBDRO CCCCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000046017989 400544263 /nfs/dbraw/zinc/54/42/63/400544263.db2.gz QWCBTDIGJLQECO-UHFFFAOYSA-N 1 0 307.394 3.434 20 5 DGBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000612461470 400549513 /nfs/dbraw/zinc/54/95/13/400549513.db2.gz DRNHRNHFKDOACK-LLVKDONJSA-N 1 0 319.361 3.319 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597060968 400549808 /nfs/dbraw/zinc/54/98/08/400549808.db2.gz XXZVXMBPLYPMJU-WBVHZDCISA-N 1 0 304.390 3.075 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+]CC2CC=CC2)cc1Br ZINC000602721060 400550856 /nfs/dbraw/zinc/55/08/56/400550856.db2.gz OVSXMHSGFCIJMZ-UHFFFAOYSA-N 1 0 317.208 3.475 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000602806863 400580153 /nfs/dbraw/zinc/58/01/53/400580153.db2.gz QPGLBNJJSBMIRC-ZDUSSCGKSA-N 1 0 302.378 3.067 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCOC(C)C ZINC000612574738 400567532 /nfs/dbraw/zinc/56/75/32/400567532.db2.gz BMLHHLYLASZWBB-ZDUSSCGKSA-N 1 0 312.435 3.480 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406599 400614265 /nfs/dbraw/zinc/61/42/65/400614265.db2.gz JGCRKFKZFAHKGZ-LLVKDONJSA-N 1 0 302.334 3.019 20 5 DGBDRO Cc1ncc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000602957909 400614770 /nfs/dbraw/zinc/61/47/70/400614770.db2.gz WCERQOORFWZQNZ-SNVBAGLBSA-N 1 0 307.375 3.089 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C(C)C ZINC000140510947 400619013 /nfs/dbraw/zinc/61/90/13/400619013.db2.gz GQALLAJMECXDMT-INIZCTEOSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592357038 400637341 /nfs/dbraw/zinc/63/73/41/400637341.db2.gz PBVNXGLIEFUPLH-LBPRGKRZSA-N 1 0 302.334 3.193 20 5 DGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357211 400637591 /nfs/dbraw/zinc/63/75/91/400637591.db2.gz UWMOXTFIHZBWLC-TZMCWYRMSA-N 1 0 316.361 3.139 20 5 DGBDRO C/C(=C/c1ccccc1)C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602819760 400583630 /nfs/dbraw/zinc/58/36/30/400583630.db2.gz IJWKNLKJYNVKKH-KAMYIIQDSA-N 1 0 314.389 3.135 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000597203959 400587347 /nfs/dbraw/zinc/58/73/47/400587347.db2.gz AZIBEFYUSFTBLO-BLSFAOBESA-N 1 0 316.401 3.235 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000592375146 400640991 /nfs/dbraw/zinc/64/09/91/400640991.db2.gz RPCIKFUWUANDAR-SEPPTKIGSA-N 1 0 306.406 3.385 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000597254387 400599972 /nfs/dbraw/zinc/59/99/72/400599972.db2.gz BXGPSHHKSOMVIZ-IAQYHMDHSA-N 1 0 314.332 3.148 20 5 DGBDRO CCOc1cc(C[NH+]2CCC(SC)CC2)ccc1[N+](=O)[O-] ZINC000602920748 400606927 /nfs/dbraw/zinc/60/69/27/400606927.db2.gz LPPQYIUWPFHVCJ-UHFFFAOYSA-N 1 0 310.419 3.321 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)C[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000592395533 400644959 /nfs/dbraw/zinc/64/49/59/400644959.db2.gz CTLAQKGSFVSJKG-YDHLFZDLSA-N 1 0 324.421 3.441 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(CNCc3cscc3Cl)nc2c1 ZINC000618618899 400645044 /nfs/dbraw/zinc/64/50/44/400645044.db2.gz JWTHGIMNAFEGNE-UHFFFAOYSA-N 1 0 322.777 3.476 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000592398819 400645071 /nfs/dbraw/zinc/64/50/71/400645071.db2.gz UQIGDHJEYAAVGP-DZKIICNBSA-N 1 0 308.422 3.303 20 5 DGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000597666176 400657951 /nfs/dbraw/zinc/65/79/51/400657951.db2.gz JXQVHWWBFBBGKW-GFCCVEGCSA-N 1 0 307.394 3.317 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]3CCCC[C@@H]31)OCCO2 ZINC000592518481 400662823 /nfs/dbraw/zinc/66/28/23/400662823.db2.gz SLTXCVVVLHBIRF-JSGCOSHPSA-N 1 0 318.373 3.131 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000153132583 400686120 /nfs/dbraw/zinc/68/61/20/400686120.db2.gz XGCXKAPVXGIAKK-OTVXOJSOSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000157668606 400718835 /nfs/dbraw/zinc/71/88/35/400718835.db2.gz CFTMPXHAEZZISL-MNOVXSKESA-N 1 0 316.361 3.484 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000157613660 400718945 /nfs/dbraw/zinc/71/89/45/400718945.db2.gz MKGNUHNRUCRUBF-VXGBXAGGSA-N 1 0 305.378 3.008 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000157710795 400719843 /nfs/dbraw/zinc/71/98/43/400719843.db2.gz OBHDCGWKDVWICS-HIFRSBDPSA-N 1 0 303.406 3.038 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000603869617 400727283 /nfs/dbraw/zinc/72/72/83/400727283.db2.gz IZQIEJRFVRZDGA-UHFFFAOYSA-N 1 0 311.385 3.307 20 5 DGBDRO C[C@](CO)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000077655986 400734852 /nfs/dbraw/zinc/73/48/52/400734852.db2.gz HGWPSOOGRIQARS-MRXNPFEDSA-N 1 0 310.369 3.155 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@@H](CO)CC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000618986671 400739301 /nfs/dbraw/zinc/73/93/01/400739301.db2.gz DRXNHSFQIBMSGJ-MLGOLLRUSA-N 1 0 304.390 3.068 20 5 DGBDRO Cc1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000618985156 400739527 /nfs/dbraw/zinc/73/95/27/400739527.db2.gz DDXXAGXUYWJGHR-OAHLLOKOSA-N 1 0 300.362 3.139 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@@H](C)CO)CC1 ZINC000593081689 400756015 /nfs/dbraw/zinc/75/60/15/400756015.db2.gz HGYWGQXGBFEONR-UONOGXRCSA-N 1 0 306.406 3.305 20 5 DGBDRO COc1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000051317410 400700104 /nfs/dbraw/zinc/70/01/04/400700104.db2.gz MPPXNAQBKZASJU-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000171842631 400807584 /nfs/dbraw/zinc/80/75/84/400807584.db2.gz ZIKPPVSRHZEXIP-KRWDZBQOSA-N 1 0 318.373 3.351 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000078576660 400811269 /nfs/dbraw/zinc/81/12/69/400811269.db2.gz JEDCKQKTRFNAPM-OAHLLOKOSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H](O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000170691673 400769503 /nfs/dbraw/zinc/76/95/03/400769503.db2.gz BRUKVULCILNTHN-CQSZACIVSA-N 1 0 306.406 3.153 20 5 DGBDRO CCC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000053378098 400781005 /nfs/dbraw/zinc/78/10/05/400781005.db2.gz FMYMQCHOBWLAMN-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000619611157 400873308 /nfs/dbraw/zinc/87/33/08/400873308.db2.gz UQGMNJWEEDVYNZ-AWEZNQCLSA-N 1 0 313.357 3.166 20 5 DGBDRO C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000358153450 285984007 /nfs/dbraw/zinc/98/40/07/285984007.db2.gz IUYDFBNURRFAJC-MEDUHNTESA-N 1 0 304.321 3.118 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000598647443 400848597 /nfs/dbraw/zinc/84/85/97/400848597.db2.gz MGENMPFSJIMIDD-LLVKDONJSA-N 1 0 300.305 3.128 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174139202 400853372 /nfs/dbraw/zinc/85/33/72/400853372.db2.gz VBMYILPAGCAYLA-CHWSQXEVSA-N 1 0 319.405 3.480 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000619481446 400854865 /nfs/dbraw/zinc/85/48/65/400854865.db2.gz RYTNPPMINAMRMY-LBPRGKRZSA-N 1 0 319.405 3.330 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000619549327 400865077 /nfs/dbraw/zinc/86/50/77/400865077.db2.gz UQAIPZBAJPERTB-CQSZACIVSA-N 1 0 304.394 3.199 20 5 DGBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc(C)ccc1C ZINC000599043113 400936721 /nfs/dbraw/zinc/93/67/21/400936721.db2.gz UYRNGEUYRHDHII-INIZCTEOSA-N 1 0 302.378 3.149 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCOC1 ZINC000599054556 400941872 /nfs/dbraw/zinc/94/18/72/400941872.db2.gz BQJGPXITIMUQEU-GJZGRUSLSA-N 1 0 306.406 3.322 20 5 DGBDRO CCC[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OCC ZINC000599062379 400944817 /nfs/dbraw/zinc/94/48/17/400944817.db2.gz WWMFODPAPDDNHC-ILXRZTDVSA-N 1 0 324.425 3.070 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000599084395 400955217 /nfs/dbraw/zinc/95/52/17/400955217.db2.gz CAVIVCLKUCTDMJ-SRCQZFHVSA-N 1 0 304.390 3.073 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599084634 400955271 /nfs/dbraw/zinc/95/52/71/400955271.db2.gz DDZLHSIHTHRCND-PZSREKOKSA-N 1 0 320.389 3.212 20 5 DGBDRO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000079723889 400891114 /nfs/dbraw/zinc/89/11/14/400891114.db2.gz ZHWWGPDLJJQUDK-LBPRGKRZSA-N 1 0 302.378 3.397 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026514 400952056 /nfs/dbraw/zinc/95/20/56/400952056.db2.gz LCPUZJWETDSULQ-OAHLLOKOSA-N 1 0 320.389 3.007 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073955 400952213 /nfs/dbraw/zinc/95/22/13/400952213.db2.gz ODQQIYYFMPAQIX-CXAGYDPISA-N 1 0 303.406 3.262 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccsc1 ZINC000619782658 400905942 /nfs/dbraw/zinc/90/59/42/400905942.db2.gz IXBCKMRBASDBLD-LLVKDONJSA-N 1 0 319.386 3.254 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000598991773 400922352 /nfs/dbraw/zinc/92/23/52/400922352.db2.gz HGZAVYQTXNJOEX-QGZVFWFLSA-N 1 0 317.433 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)c(F)c1 ZINC000598992076 400923210 /nfs/dbraw/zinc/92/32/10/400923210.db2.gz LAKFPBJKROWCMV-MRXNPFEDSA-N 1 0 321.396 3.231 20 5 DGBDRO CC1(C)CCC[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598994927 400923532 /nfs/dbraw/zinc/92/35/32/400923532.db2.gz KHBMZYQKYVLYDJ-INIZCTEOSA-N 1 0 310.369 3.155 20 5 DGBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)c(Cl)c1 ZINC000598998679 400924556 /nfs/dbraw/zinc/92/45/56/400924556.db2.gz UHMLOOMXPDETDM-OAHLLOKOSA-N 1 0 323.824 3.355 20 5 DGBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000599018570 400927827 /nfs/dbraw/zinc/92/78/27/400927827.db2.gz ZDMSCEBOQSNZER-DRQUAOQDSA-N 1 0 316.357 3.369 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599031608 400933005 /nfs/dbraw/zinc/93/30/05/400933005.db2.gz GIYKOUNAYLXSIM-CYBMUJFWSA-N 1 0 300.362 3.038 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2scnc21 ZINC000599031633 400933300 /nfs/dbraw/zinc/93/33/00/400933300.db2.gz GSBOPXDRBXVIGR-LBPRGKRZSA-N 1 0 303.387 3.261 20 5 DGBDRO O=[N+]([O-])c1cccnc1NCc1ccccc1C[NH+]1CCCC1 ZINC000198604790 400934141 /nfs/dbraw/zinc/93/41/41/400934141.db2.gz LHUGLVOXOMPLJF-UHFFFAOYSA-N 1 0 312.373 3.198 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000599041486 400935480 /nfs/dbraw/zinc/93/54/80/400935480.db2.gz DNBBHOHWTRYATP-IAQYHMDHSA-N 1 0 312.797 3.338 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599166470 400983743 /nfs/dbraw/zinc/98/37/43/400983743.db2.gz WFZWDFMARJSNBB-INIZCTEOSA-N 1 0 319.405 3.170 20 5 DGBDRO Cc1cc(N2CCO[C@@H](CCF)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599169209 400984117 /nfs/dbraw/zinc/98/41/17/400984117.db2.gz ROHFFANRTBGUHB-ZDUSSCGKSA-N 1 0 319.336 3.016 20 5 DGBDRO O=c1[nH]cccc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000599087929 400956961 /nfs/dbraw/zinc/95/69/61/400956961.db2.gz NXVBLWVUCZMHFK-MRXNPFEDSA-N 1 0 313.357 3.253 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](OC)C1 ZINC000599093632 400958472 /nfs/dbraw/zinc/95/84/72/400958472.db2.gz UCLLAFZIXWSRBU-AVGNSLFASA-N 1 0 310.419 3.233 20 5 DGBDRO CCC(CC)[NH2+]CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000599097683 400960230 /nfs/dbraw/zinc/96/02/30/400960230.db2.gz LGJFFHXBPVIJTE-UHFFFAOYSA-N 1 0 302.378 3.333 20 5 DGBDRO Cc1cc(N[C@@H](C)C[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000235119595 400973686 /nfs/dbraw/zinc/97/36/86/400973686.db2.gz PKRGMQNLOCMLJB-VIFPVBQESA-N 1 0 316.199 3.028 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000080676924 400978341 /nfs/dbraw/zinc/97/83/41/400978341.db2.gz NXFWDOXUSHYKSD-AWEZNQCLSA-N 1 0 320.780 3.358 20 5 DGBDRO C[C@@H]1C[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000599444467 401051480 /nfs/dbraw/zinc/05/14/80/401051480.db2.gz XFXRSRLVPVSLPG-XLNGHYISSA-N 1 0 318.417 3.356 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000599550895 401074289 /nfs/dbraw/zinc/07/42/89/401074289.db2.gz DEMZTWHJVXEUNA-UHFFFAOYSA-N 1 0 300.305 3.095 20 5 DGBDRO CCn1c2ccccc2nc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000058093557 401041402 /nfs/dbraw/zinc/04/14/02/401041402.db2.gz PBSRCVFKGUMMPN-UHFFFAOYSA-N 1 0 324.384 3.297 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(CO)CCCC2)o1 ZINC000083475413 401118691 /nfs/dbraw/zinc/11/86/91/401118691.db2.gz LTOQUTSFZBWTDT-UHFFFAOYSA-N 1 0 316.357 3.250 20 5 DGBDRO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000599712334 401124136 /nfs/dbraw/zinc/12/41/36/401124136.db2.gz XCINHDHZMJEGIQ-JJLQDPRZSA-N 1 0 320.389 3.065 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594601233 401125622 /nfs/dbraw/zinc/12/56/22/401125622.db2.gz MTLOUWMXFPZBOE-VXGBXAGGSA-N 1 0 310.785 3.072 20 5 DGBDRO COc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC000594601887 401127176 /nfs/dbraw/zinc/12/71/76/401127176.db2.gz PJEAWTDARIKTGQ-JSGCOSHPSA-N 1 0 323.368 3.171 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594603337 401127401 /nfs/dbraw/zinc/12/74/01/401127401.db2.gz UHZGFPZGZAXXFB-IRXDYDNUSA-N 1 0 319.405 3.170 20 5 DGBDRO CCOC(=O)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000594610046 401132039 /nfs/dbraw/zinc/13/20/39/401132039.db2.gz DVHPAFSVONNZHD-VQHVLOKHSA-N 1 0 320.389 3.272 20 5 DGBDRO Cc1cnc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c(C)c1 ZINC000594509549 401086107 /nfs/dbraw/zinc/08/61/07/401086107.db2.gz JSMSUODGDMTBMD-KRWDZBQOSA-N 1 0 311.385 3.426 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000059394159 401092720 /nfs/dbraw/zinc/09/27/20/401092720.db2.gz JWIDZEFXDGMJID-MRXNPFEDSA-N 1 0 303.337 3.449 20 5 DGBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000599624228 401093414 /nfs/dbraw/zinc/09/34/14/401093414.db2.gz UHLJACQMOUEVEJ-LLVKDONJSA-N 1 0 300.305 3.093 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)cccc1[N+](=O)[O-] ZINC000594517538 401093831 /nfs/dbraw/zinc/09/38/31/401093831.db2.gz YAOSIKQWVODNJJ-UUWFMWQGSA-N 1 0 312.369 3.212 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000594518155 401096137 /nfs/dbraw/zinc/09/61/37/401096137.db2.gz IKUIHBBHCORULW-UUWFMWQGSA-N 1 0 312.369 3.212 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594519384 401097365 /nfs/dbraw/zinc/09/73/65/401097365.db2.gz KGDYYXIJOOEUJS-RRQGHBQHSA-N 1 0 303.406 3.262 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000615835323 401160662 /nfs/dbraw/zinc/16/06/62/401160662.db2.gz IWEBOUKARWVKDI-IPJDOKCGSA-N 1 0 304.390 3.093 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)c2cccc(CO)c2)cccc1[N+](=O)[O-] ZINC000358324225 286031891 /nfs/dbraw/zinc/03/18/91/286031891.db2.gz OMWRVBGNMXUYBY-ZDUSSCGKSA-N 1 0 300.358 3.246 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594956583 401207345 /nfs/dbraw/zinc/20/73/45/401207345.db2.gz LPFZTRNHZSCSOH-VFADXPBXSA-N 1 0 303.406 3.070 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594977320 401215999 /nfs/dbraw/zinc/21/59/99/401215999.db2.gz KBHBOIUHBTZYQV-OAHLLOKOSA-N 1 0 303.406 3.091 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000594977604 401216502 /nfs/dbraw/zinc/21/65/02/401216502.db2.gz LUUCIHVQJDFTHX-HNNXBMFYSA-N 1 0 303.406 3.091 20 5 DGBDRO Cc1ccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594978686 401217660 /nfs/dbraw/zinc/21/76/60/401217660.db2.gz VKNZFAPZTSMKSP-INIZCTEOSA-N 1 0 317.433 3.400 20 5 DGBDRO COc1cccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000594997647 401223788 /nfs/dbraw/zinc/22/37/88/401223788.db2.gz ACMYMGURGXOWQH-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000615939702 401184721 /nfs/dbraw/zinc/18/47/21/401184721.db2.gz UDUVUEBSWBRRBU-CJNGLKHVSA-N 1 0 316.405 3.419 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000595014226 401232208 /nfs/dbraw/zinc/23/22/08/401232208.db2.gz VBRNUUHAUIWZDW-ZLIFDBKOSA-N 1 0 322.405 3.195 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020078 401235736 /nfs/dbraw/zinc/23/57/36/401235736.db2.gz TVNIQOFMWAXOJI-HIFRSBDPSA-N 1 0 321.421 3.128 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000122982164 292195781 /nfs/dbraw/zinc/19/57/81/292195781.db2.gz SGRIFYYTESFINX-LSDHHAIUSA-N 1 0 305.422 3.428 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000358733276 286136206 /nfs/dbraw/zinc/13/62/06/286136206.db2.gz UDWCHWSUVFFPMW-GFCCVEGCSA-N 1 0 316.357 3.030 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000359025741 286218541 /nfs/dbraw/zinc/21/85/41/286218541.db2.gz KNDAKCYJLUCJCH-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO CCC(=O)c1ccc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000359374006 286295157 /nfs/dbraw/zinc/29/51/57/286295157.db2.gz VPNUYBRESXDIRD-UHFFFAOYSA-N 1 0 307.394 3.187 20 5 DGBDRO CCC(=O)c1ccc(NC[C@@H]2CCCC[N@H+]2CC)c([N+](=O)[O-])c1 ZINC000359502396 286321581 /nfs/dbraw/zinc/32/15/81/286321581.db2.gz NUCHBEQIPZRCNB-AWEZNQCLSA-N 1 0 319.405 3.474 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1nccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000360273011 286452824 /nfs/dbraw/zinc/45/28/24/286452824.db2.gz PSWVFZLAWRTNJD-CYBMUJFWSA-N 1 0 318.377 3.386 20 5 DGBDRO CC[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000162008902 286932985 /nfs/dbraw/zinc/93/29/85/286932985.db2.gz YLXHBAFPWCTCFI-FZKCQIBNSA-N 1 0 304.390 3.449 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000364313907 287011434 /nfs/dbraw/zinc/01/14/34/287011434.db2.gz CGFMLLJGQQLIMK-CQSZACIVSA-N 1 0 306.410 3.263 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000152198627 287062229 /nfs/dbraw/zinc/06/22/29/287062229.db2.gz RZBPMFQSONNMID-JMGFVUJMSA-N 1 0 302.374 3.203 20 5 DGBDRO C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192800669 165305864 /nfs/dbraw/zinc/30/58/64/165305864.db2.gz NUTREWBQPWAUTC-SWLSCSKDSA-N 1 0 305.378 3.092 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000193940120 165334761 /nfs/dbraw/zinc/33/47/61/165334761.db2.gz CMERCQZQMDLKJY-UHFFFAOYSA-N 1 0 305.334 3.269 20 5 DGBDRO Cn1ccnc1[C@@H]([NH2+]C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353434036 165913707 /nfs/dbraw/zinc/91/37/07/165913707.db2.gz IRFQEFHDJTZHBK-INIZCTEOSA-N 1 0 314.389 3.340 20 5 DGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)CCCC2 ZINC000181923083 432151533 /nfs/dbraw/zinc/15/15/33/432151533.db2.gz KMWZLJLDLBOJEP-ZDUSSCGKSA-N 1 0 314.389 3.021 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000246970528 432187400 /nfs/dbraw/zinc/18/74/00/432187400.db2.gz RWCALBHFXNEFEL-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000246947303 432182995 /nfs/dbraw/zinc/18/29/95/432182995.db2.gz QZWUJVGIROXAEE-RYUDHWBXSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000151049048 432214242 /nfs/dbraw/zinc/21/42/42/432214242.db2.gz KBTMNXNUQBXFBL-NSHDSACASA-N 1 0 321.764 3.373 20 5 DGBDRO CC(C)c1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000247239951 432214651 /nfs/dbraw/zinc/21/46/51/432214651.db2.gz WSUWIYWDBGPOSP-RHSMWYFYSA-N 1 0 306.406 3.311 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)C1CCCC1 ZINC000415064725 533681783 /nfs/dbraw/zinc/68/17/83/533681783.db2.gz LHVDYNNMDCYNTE-BBRMVZONSA-N 1 0 305.422 3.023 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000296754936 226197923 /nfs/dbraw/zinc/19/79/23/226197923.db2.gz PZEBOKYPONJRCI-QFYYESIMSA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)[NH2+]1 ZINC000179159277 228350412 /nfs/dbraw/zinc/35/04/12/228350412.db2.gz UFZWWBLFUBQLNH-KBPBESRZSA-N 1 0 319.408 3.210 20 5 DGBDRO C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+](C)C ZINC000357767297 229354110 /nfs/dbraw/zinc/35/41/10/229354110.db2.gz RZCXQRPPDYMSOL-ZDUSSCGKSA-N 1 0 307.397 3.068 20 5 DGBDRO Cc1cccc2oc(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3)nc21 ZINC000410317570 229669328 /nfs/dbraw/zinc/66/93/28/229669328.db2.gz LLBRWHNMRVNSLN-UHFFFAOYSA-N 1 0 311.341 3.377 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413030411 230115436 /nfs/dbraw/zinc/11/54/36/230115436.db2.gz VGWYNWYUTAUUGS-HZSPNIEDSA-N 1 0 319.405 3.411 20 5 DGBDRO C[C@@H]1C[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000413155924 230141461 /nfs/dbraw/zinc/14/14/61/230141461.db2.gz DGLSXEGIYUEDBE-DGCLKSJQSA-N 1 0 300.362 3.038 20 5 DGBDRO CN(CC1([NH+](C)C)CCC1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000302526207 230284435 /nfs/dbraw/zinc/28/44/35/230284435.db2.gz ZWCROUALXIRXJA-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO COc1cc(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000346347654 264015506 /nfs/dbraw/zinc/01/55/06/264015506.db2.gz YJRBXFQJGJGWRD-LBPRGKRZSA-N 1 0 322.405 3.480 20 5 DGBDRO CCc1ccc([C@H]([NH2+][C@H](C)CCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346595789 264061073 /nfs/dbraw/zinc/06/10/73/264061073.db2.gz FYJXXBOCUICBCL-SJKOYZFVSA-N 1 0 318.373 3.200 20 5 DGBDRO CC(C)c1ccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347023869 264142247 /nfs/dbraw/zinc/14/22/47/264142247.db2.gz QFSDMDVTVPKFBW-UKRRQHHQSA-N 1 0 305.422 3.277 20 5 DGBDRO C[C@H](CO)[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000347174428 264169743 /nfs/dbraw/zinc/16/97/43/264169743.db2.gz UFSUKDXDZREUPE-LLVKDONJSA-N 1 0 312.797 3.374 20 5 DGBDRO COC(=O)C[C@H]1CCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347356943 264205118 /nfs/dbraw/zinc/20/51/18/264205118.db2.gz DKWOSUDZSPACBD-BMQCOBNYSA-N 1 0 318.373 3.026 20 5 DGBDRO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1cnn(C)c1 ZINC000347360118 264206254 /nfs/dbraw/zinc/20/62/54/264206254.db2.gz OIYNATHOKCYJSY-RIYZIHGNSA-N 1 0 314.389 3.254 20 5 DGBDRO CC[NH+](CC)CCOCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000347877528 264300058 /nfs/dbraw/zinc/30/00/58/264300058.db2.gz LOUGHVJGKQHPQP-UHFFFAOYSA-N 1 0 315.801 3.019 20 5 DGBDRO CC(C)c1ccc(CN2CCO[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000352388666 265027726 /nfs/dbraw/zinc/02/77/26/265027726.db2.gz TYBNKDQTDCMPPV-NVXWUHKLSA-N 1 0 304.390 3.472 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000352393117 265031262 /nfs/dbraw/zinc/03/12/62/265031262.db2.gz YQLAUXNROXWJCF-CYBMUJFWSA-N 1 0 322.409 3.145 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C2CCC2)CC1 ZINC000352423530 265045400 /nfs/dbraw/zinc/04/54/00/265045400.db2.gz BHZFYMPDVPANGM-AWEZNQCLSA-N 1 0 303.406 3.134 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000352652258 265116620 /nfs/dbraw/zinc/11/66/20/265116620.db2.gz MOZZWEALSLUAIY-OAHLLOKOSA-N 1 0 314.389 3.370 20 5 DGBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352872798 265209228 /nfs/dbraw/zinc/20/92/28/265209228.db2.gz FPAFTFMLJAHTCP-CHWSQXEVSA-N 1 0 310.369 3.249 20 5 DGBDRO CCCN(CC[NH+]1CCCC1)Cc1cccc([N+](=O)[O-])c1C ZINC000352883276 265213735 /nfs/dbraw/zinc/21/37/35/265213735.db2.gz JFJAOJPCRQBXPH-UHFFFAOYSA-N 1 0 305.422 3.211 20 5 DGBDRO Cn1ccnc1[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000353046531 265279612 /nfs/dbraw/zinc/27/96/12/265279612.db2.gz KRHXWNDXGDVNIZ-MQDFFIGUSA-N 1 0 312.373 3.082 20 5 DGBDRO COc1ccc(C[NH2+]CC2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC000353091190 265295378 /nfs/dbraw/zinc/29/53/78/265295378.db2.gz PPOZXSYIEDXJAA-UHFFFAOYSA-N 1 0 318.295 3.426 20 5 DGBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353162921 265323567 /nfs/dbraw/zinc/32/35/67/265323567.db2.gz BIYXYBOMWPYVPF-DOTOQJQBSA-N 1 0 322.405 3.002 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182805607 432229757 /nfs/dbraw/zinc/22/97/57/432229757.db2.gz SZFOKUSJQROTGM-JKSUJKDBSA-N 1 0 317.433 3.382 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1CO ZINC000191175328 432230929 /nfs/dbraw/zinc/23/09/29/432230929.db2.gz QOKWCGSMJHZUTK-MLGOLLRUSA-N 1 0 316.357 3.058 20 5 DGBDRO CC(C)[NH+](CCN(C)c1ncc([N+](=O)[O-])cc1Cl)C(C)C ZINC000355574022 266119991 /nfs/dbraw/zinc/11/99/91/266119991.db2.gz KYPVHXMQEWLFHX-UHFFFAOYSA-N 1 0 314.817 3.198 20 5 DGBDRO Cc1cc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000355848594 266206393 /nfs/dbraw/zinc/20/63/93/266206393.db2.gz RGKSISFDSGOCFT-UHFFFAOYSA-N 1 0 321.421 3.094 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([NH2+]C(C)C)CC1 ZINC000182869638 432237057 /nfs/dbraw/zinc/23/70/57/432237057.db2.gz HCHRDNUOZGXEKA-CQSZACIVSA-N 1 0 305.422 3.427 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432350087 533688016 /nfs/dbraw/zinc/68/80/16/533688016.db2.gz XIEWHMUBOQITTB-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO COC[C@H]1CCCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000368658480 271188268 /nfs/dbraw/zinc/18/82/68/271188268.db2.gz JHQJXCWZMSMKFV-PPYMECGQSA-N 1 0 304.390 3.357 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000172823905 273782747 /nfs/dbraw/zinc/78/27/47/273782747.db2.gz WSCRKZDLTWUZLU-LRDDRELGSA-N 1 0 323.441 3.042 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413256697 273816682 /nfs/dbraw/zinc/81/66/82/273816682.db2.gz BSSQQMAJYQUYHM-AWEZNQCLSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)C[NH+]1CCCCC1 ZINC000302400492 274226585 /nfs/dbraw/zinc/22/65/85/274226585.db2.gz DXALKJXRMPZHSW-ZDUSSCGKSA-N 1 0 318.421 3.097 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1CCOC1 ZINC000162669945 274251823 /nfs/dbraw/zinc/25/18/23/274251823.db2.gz PZWJIUBUEXWJCF-UKRRQHHQSA-N 1 0 323.392 3.461 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCOC1)CCCC2 ZINC000417341678 275038285 /nfs/dbraw/zinc/03/82/85/275038285.db2.gz ODVZZBATXKLBIU-SUMWQHHRSA-N 1 0 304.390 3.379 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000176227787 275040440 /nfs/dbraw/zinc/04/04/40/275040440.db2.gz YACOMZSOXWQLLO-INIZCTEOSA-N 1 0 314.389 3.061 20 5 DGBDRO CC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447585853 275896348 /nfs/dbraw/zinc/89/63/48/275896348.db2.gz KKDHMPPMOULJCY-KGLIPLIRSA-N 1 0 306.410 3.445 20 5 DGBDRO CC1CC[NH+](CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000441227202 275938943 /nfs/dbraw/zinc/93/89/43/275938943.db2.gz FVOUWVBECDSGTH-UHFFFAOYSA-N 1 0 317.433 3.291 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCCO ZINC000271168855 276573600 /nfs/dbraw/zinc/57/36/00/276573600.db2.gz UAFNEHHIENWXPD-QWHCGFSZSA-N 1 0 312.435 3.216 20 5 DGBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc2ccccc2c2cccnc12 ZINC000262585281 276922591 /nfs/dbraw/zinc/92/25/91/276922591.db2.gz NWUTYJNZHLKEDM-UHFFFAOYSA-N 1 0 321.424 3.445 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000194701044 277064408 /nfs/dbraw/zinc/06/44/08/277064408.db2.gz ZBVCQGQNZBSGNQ-OAHLLOKOSA-N 1 0 319.408 3.212 20 5 DGBDRO C[C@@H](C[NH+]1CCCCCC1)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302876175 277574608 /nfs/dbraw/zinc/57/46/08/277574608.db2.gz GAZNEKYBTNTODP-ZDUSSCGKSA-N 1 0 318.421 3.239 20 5 DGBDRO CC[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000161778787 288034503 /nfs/dbraw/zinc/03/45/03/288034503.db2.gz RZSGMLVNBRUTTO-INIZCTEOSA-N 1 0 320.389 3.321 20 5 DGBDRO C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178652054 278342362 /nfs/dbraw/zinc/34/23/62/278342362.db2.gz JEJCIKYADGMGDN-CQSZACIVSA-N 1 0 319.405 3.038 20 5 DGBDRO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278399312 278894385 /nfs/dbraw/zinc/89/43/85/278894385.db2.gz FMBCYUCPFANICF-IGCXYCKISA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000343609074 278970146 /nfs/dbraw/zinc/97/01/46/278970146.db2.gz MENIQOBQTCZWLB-YPMHNXCESA-N 1 0 309.797 3.311 20 5 DGBDRO CCCO[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108398823 431140676 /nfs/dbraw/zinc/14/06/76/431140676.db2.gz XCICXFPUTLFTAW-QGZVFWFLSA-N 1 0 306.406 3.418 20 5 DGBDRO C[C@H](CCNc1ncc([N+](=O)[O-])s1)[N@H+](C)Cc1ccccc1 ZINC000192474439 279267978 /nfs/dbraw/zinc/26/79/78/279267978.db2.gz GQJMEOFTDKAITE-GFCCVEGCSA-N 1 0 320.418 3.374 20 5 DGBDRO C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449357260 279269286 /nfs/dbraw/zinc/26/92/86/279269286.db2.gz KRWQINLYCAOSFV-YQQAZPJKSA-N 1 0 320.433 3.304 20 5 DGBDRO CCCO[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108396011 431140113 /nfs/dbraw/zinc/14/01/13/431140113.db2.gz RAKWKTCOJAOSTQ-INIZCTEOSA-N 1 0 322.405 3.255 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000449192592 279382252 /nfs/dbraw/zinc/38/22/52/279382252.db2.gz YVPLNTMWJUDRBA-JWDQPFGJSA-N 1 0 304.390 3.073 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000108942951 431159264 /nfs/dbraw/zinc/15/92/64/431159264.db2.gz NJTASJDOQWCFIO-JTQLQIEISA-N 1 0 306.284 3.133 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000278546022 279483204 /nfs/dbraw/zinc/48/32/04/279483204.db2.gz VHXJVUPOLJFVJX-SUMWQHHRSA-N 1 0 303.406 3.262 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000074311514 431411539 /nfs/dbraw/zinc/41/15/39/431411539.db2.gz FGLQXBQUWHVFLL-SFHVURJKSA-N 1 0 312.369 3.077 20 5 DGBDRO O=C1CCC(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000450603921 280249510 /nfs/dbraw/zinc/24/95/10/280249510.db2.gz VDHZEUFITLENEG-UHFFFAOYSA-N 1 0 302.374 3.319 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(C3CC3)CC2)n1 ZINC000447575686 280376920 /nfs/dbraw/zinc/37/69/20/280376920.db2.gz URNTZMGJDKQXMS-UONOGXRCSA-N 1 0 304.394 3.055 20 5 DGBDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000077318945 431581490 /nfs/dbraw/zinc/58/14/90/431581490.db2.gz VNWNGDUMCRATMS-NWDGAFQWSA-N 1 0 306.362 3.082 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C(C)C)C1CCC1 ZINC000077358139 431588850 /nfs/dbraw/zinc/58/88/50/431588850.db2.gz QJKYVTVSMLWTJB-UHFFFAOYSA-N 1 0 319.405 3.495 20 5 DGBDRO CCC[NH+](CCC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000027269878 431686966 /nfs/dbraw/zinc/68/69/66/431686966.db2.gz HFYIBBLKKOQWGA-UHFFFAOYSA-N 1 0 313.785 3.309 20 5 DGBDRO COc1cccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000028394303 431705106 /nfs/dbraw/zinc/70/51/06/431705106.db2.gz QRVILPYNGWVVFU-UHFFFAOYSA-N 1 0 300.358 3.278 20 5 DGBDRO CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000030144618 431731911 /nfs/dbraw/zinc/73/19/11/431731911.db2.gz SIBSBZIPDDCTLP-ZDUSSCGKSA-N 1 0 305.378 3.045 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000031654224 431762572 /nfs/dbraw/zinc/76/25/72/431762572.db2.gz UQGCHCYTGSFZHD-GFCCVEGCSA-N 1 0 317.389 3.105 20 5 DGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCCCC1 ZINC000029523606 431723454 /nfs/dbraw/zinc/72/34/54/431723454.db2.gz BXJFQIAQOJYJJE-UHFFFAOYSA-N 1 0 320.389 3.473 20 5 DGBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123757523 431873900 /nfs/dbraw/zinc/87/39/00/431873900.db2.gz HQDNNKDBVVZPJO-FZMZJTMJSA-N 1 0 312.797 3.374 20 5 DGBDRO COc1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000034545354 431819104 /nfs/dbraw/zinc/81/91/04/431819104.db2.gz HGNJSYXHFBKNGR-UHFFFAOYSA-N 1 0 300.358 3.278 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000122317181 431826524 /nfs/dbraw/zinc/82/65/24/431826524.db2.gz POGXCMGZWYJDCP-NHYWBVRUSA-N 1 0 300.362 3.057 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000122508783 431835019 /nfs/dbraw/zinc/83/50/19/431835019.db2.gz NKFANDNQQBTCIX-CHWSQXEVSA-N 1 0 319.405 3.210 20 5 DGBDRO Cc1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000047453059 431910081 /nfs/dbraw/zinc/91/00/81/431910081.db2.gz JSEDDHXTNLZTQY-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125228594 431918662 /nfs/dbraw/zinc/91/86/62/431918662.db2.gz VREGSINDIHMTIR-ZIAGYGMSSA-N 1 0 319.405 3.068 20 5 DGBDRO Cc1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301471235 280869231 /nfs/dbraw/zinc/86/92/31/280869231.db2.gz JNZXQNDNDSDXTC-OAHLLOKOSA-N 1 0 303.406 3.358 20 5 DGBDRO CCC(CC)(CO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090800875 431894480 /nfs/dbraw/zinc/89/44/80/431894480.db2.gz DUMJBCUQTRXQCG-INIZCTEOSA-N 1 0 320.433 3.304 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000124762470 431903354 /nfs/dbraw/zinc/90/33/54/431903354.db2.gz AYGABMXTTKPTNY-CVEARBPZSA-N 1 0 304.390 3.075 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000127394173 431970824 /nfs/dbraw/zinc/97/08/24/431970824.db2.gz DCADBROGBQAGGN-LAJNKCICSA-N 1 0 312.435 3.101 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H]1CCN(C(=O)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000126559572 431953161 /nfs/dbraw/zinc/95/31/61/431953161.db2.gz APKLVFDQMQPYLM-GDBMZVCRSA-N 1 0 319.405 3.037 20 5 DGBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000052243844 431955447 /nfs/dbraw/zinc/95/54/47/431955447.db2.gz MGSBSUMYBBRCBS-UHFFFAOYSA-N 1 0 314.389 3.442 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CC1)OCCCO2 ZINC000292993893 281021248 /nfs/dbraw/zinc/02/12/48/281021248.db2.gz MMMHUOSEMXIPQY-AWEZNQCLSA-N 1 0 320.389 3.193 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000332198029 281022772 /nfs/dbraw/zinc/02/27/72/281022772.db2.gz HOEBVSRXNFYQJE-TTZDDIAXSA-N 1 0 304.390 3.057 20 5 DGBDRO C[C@@H](CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102424306 431993355 /nfs/dbraw/zinc/99/33/55/431993355.db2.gz WTFYUQZSPGOOIS-LLVKDONJSA-N 1 0 306.387 3.041 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000248130907 432269927 /nfs/dbraw/zinc/26/99/27/432269927.db2.gz OKJYLEMKMRPUHJ-RCCFBDPRSA-N 1 0 312.369 3.294 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(CO)c1 ZINC000183236494 432272395 /nfs/dbraw/zinc/27/23/95/432272395.db2.gz NADHSBJCLDUCAI-CHWSQXEVSA-N 1 0 300.358 3.499 20 5 DGBDRO C[C@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173363378 432273257 /nfs/dbraw/zinc/27/32/57/432273257.db2.gz AXWJNLZZKHKKOM-GJZGRUSLSA-N 1 0 305.422 3.366 20 5 DGBDRO CCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270674478 432274551 /nfs/dbraw/zinc/27/45/51/432274551.db2.gz BCQSBNRZBQPAPV-JTQLQIEISA-N 1 0 313.785 3.307 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000248168627 432275094 /nfs/dbraw/zinc/27/50/94/432275094.db2.gz UHDRPCBPZSCTKJ-KSZJFAHPSA-N 1 0 304.390 3.367 20 5 DGBDRO CC[NH+](CC)Cc1ccccc1CNc1ncccc1[N+](=O)[O-] ZINC000248274387 432277114 /nfs/dbraw/zinc/27/71/14/432277114.db2.gz XPRAUQUBVGGUTD-UHFFFAOYSA-N 1 0 314.389 3.444 20 5 DGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000191581822 432279863 /nfs/dbraw/zinc/27/98/63/432279863.db2.gz VOYFMLDOLFAROJ-WMLDXEAASA-N 1 0 314.385 3.157 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC000248436252 432289866 /nfs/dbraw/zinc/28/98/66/432289866.db2.gz RZGGCDHYACOTKB-WFASDCNBSA-N 1 0 310.781 3.249 20 5 DGBDRO CC[C@H](C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128604549 431997169 /nfs/dbraw/zinc/99/71/69/431997169.db2.gz BRXLACUKGKWFMF-NSHDSACASA-N 1 0 311.357 3.040 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000191412324 432262533 /nfs/dbraw/zinc/26/25/33/432262533.db2.gz DRQHPJFKCUHQEW-UHFFFAOYSA-N 1 0 322.409 3.016 20 5 DGBDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)N1CCCC1 ZINC000151678042 432265814 /nfs/dbraw/zinc/26/58/14/432265814.db2.gz OCSVVHXOPSKDBI-GDBMZVCRSA-N 1 0 305.422 3.428 20 5 DGBDRO COCc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000271057066 432322769 /nfs/dbraw/zinc/32/27/69/432322769.db2.gz DIHYIDCQXASKNZ-UHFFFAOYSA-N 1 0 316.357 3.499 20 5 DGBDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000271123874 432332579 /nfs/dbraw/zinc/33/25/79/432332579.db2.gz KAEXVSYXSZLPPV-MLGOLLRUSA-N 1 0 310.394 3.195 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(CCCC3)C2)c2c(c1)COCO2 ZINC000174275768 432332693 /nfs/dbraw/zinc/33/26/93/432332693.db2.gz MEDJYRUKPBZCCZ-UHFFFAOYSA-N 1 0 318.373 3.227 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CCO ZINC000271188651 432348952 /nfs/dbraw/zinc/34/89/52/432348952.db2.gz XDTMDOLZHZLYMJ-CHWSQXEVSA-N 1 0 312.435 3.074 20 5 DGBDRO CC(C)c1ccc(C[NH+]2CCC(C)(CO)CC2)cc1[N+](=O)[O-] ZINC000184074205 432352427 /nfs/dbraw/zinc/35/24/27/432352427.db2.gz OFVPHDPBKBVSDA-UHFFFAOYSA-N 1 0 306.406 3.313 20 5 DGBDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000152198796 432312583 /nfs/dbraw/zinc/31/25/83/432312583.db2.gz RZBPMFQSONNMID-XTBFLFJDSA-N 1 0 302.374 3.203 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000251983387 432373546 /nfs/dbraw/zinc/37/35/46/432373546.db2.gz VNYFMGJUZJGHDJ-DPYKFYPSSA-N 1 0 320.389 3.212 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000175026584 432389894 /nfs/dbraw/zinc/38/98/94/432389894.db2.gz AXWFRVVXXIFSQP-UHFFFAOYSA-N 1 0 319.405 3.028 20 5 DGBDRO C[NH+](C)CC(C)(C)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192589535 432390007 /nfs/dbraw/zinc/39/00/07/432390007.db2.gz VUMQZFWWQDDNLF-INIZCTEOSA-N 1 0 305.422 3.150 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000192657962 432397063 /nfs/dbraw/zinc/39/70/63/432397063.db2.gz QWAJBGVOHCTSDF-FZKQIMNGSA-N 1 0 315.417 3.046 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCCCO)c2ccccc2)c1 ZINC000192924382 432428126 /nfs/dbraw/zinc/42/81/26/432428126.db2.gz CHECBEMIKJYBRZ-GOSISDBHSA-N 1 0 314.385 3.436 20 5 DGBDRO CCC[C@H](CCO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192915632 432428676 /nfs/dbraw/zinc/42/86/76/432428676.db2.gz FIUWJYVLXKQJTD-CXAGYDPISA-N 1 0 306.406 3.361 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000192942652 432432721 /nfs/dbraw/zinc/43/27/21/432432721.db2.gz RMQKTGZNDJOWBR-UVBSCNOISA-N 1 0 315.417 3.187 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000153759657 432438594 /nfs/dbraw/zinc/43/85/94/432438594.db2.gz CDPBIGUSVNIPML-XUJVJEKNSA-N 1 0 310.394 3.051 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000153828360 432447004 /nfs/dbraw/zinc/44/70/04/432447004.db2.gz VYSKXGQYNSHKIH-GUYCJALGSA-N 1 0 300.358 3.287 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000153438859 432410550 /nfs/dbraw/zinc/41/05/50/432410550.db2.gz WVQYMNINGRZOEP-ZDUSSCGKSA-N 1 0 322.405 3.339 20 5 DGBDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000271525446 432414594 /nfs/dbraw/zinc/41/45/94/432414594.db2.gz RCHAAZAQDUSULM-HFAKWTLXSA-N 1 0 311.813 3.067 20 5 DGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(C2([NH3+])CCC2)no1 ZINC000261880766 432458778 /nfs/dbraw/zinc/45/87/78/432458778.db2.gz WHMNFZCQSWQAQQ-VIFPVBQESA-N 1 0 320.374 3.169 20 5 DGBDRO COC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184678085 432418833 /nfs/dbraw/zinc/41/88/33/432418833.db2.gz DTJYYNPUWDXEAV-OAHLLOKOSA-N 1 0 304.346 3.016 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000192833203 432418812 /nfs/dbraw/zinc/41/88/12/432418812.db2.gz ORSGQPGQOKAELZ-SJKOYZFVSA-N 1 0 303.406 3.045 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCO)C2CC2)s1 ZINC000153606569 432424706 /nfs/dbraw/zinc/42/47/06/432424706.db2.gz LGBBRYYGMDYTJL-UHFFFAOYSA-N 1 0 318.398 3.280 20 5 DGBDRO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192877853 432425598 /nfs/dbraw/zinc/42/55/98/432425598.db2.gz MEBYSPRZGSZNBR-GOEBONIOSA-N 1 0 306.406 3.359 20 5 DGBDRO CC1(C)[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H]2CCO[C@@H]21 ZINC000192893117 432426012 /nfs/dbraw/zinc/42/60/12/432426012.db2.gz QZJHRAUTEFFJOB-DZUCGIPZSA-N 1 0 316.401 3.375 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(CO)cc2)C2CC2)c1 ZINC000272299361 432477986 /nfs/dbraw/zinc/47/79/86/432477986.db2.gz IMXNWHRIBNLPDG-UHFFFAOYSA-N 1 0 312.369 3.252 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](CC)CCO)cc1[N+](=O)[O-] ZINC000154196157 432481752 /nfs/dbraw/zinc/48/17/52/432481752.db2.gz SEBLTCDOKDQWPX-CHWSQXEVSA-N 1 0 310.394 3.053 20 5 DGBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1C ZINC000176022427 432487190 /nfs/dbraw/zinc/48/71/90/432487190.db2.gz SLXXLNZITLDXIM-XHBSWPGZSA-N 1 0 320.389 3.376 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262573247 432490871 /nfs/dbraw/zinc/49/08/71/432490871.db2.gz XQYJQANEYWXGFV-OAHLLOKOSA-N 1 0 301.321 3.033 20 5 DGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc2ccccc21 ZINC000176210974 432500602 /nfs/dbraw/zinc/50/06/02/432500602.db2.gz YOBOIRUZTZGXRA-UHFFFAOYSA-N 1 0 310.357 3.077 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000154542927 432506171 /nfs/dbraw/zinc/50/61/71/432506171.db2.gz TYBNKRQYSSIUSZ-LSDHHAIUSA-N 1 0 306.387 3.431 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000262894244 432507658 /nfs/dbraw/zinc/50/76/58/432507658.db2.gz XDFYNFHVQOSCRS-FZKQIMNGSA-N 1 0 319.408 3.116 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2ccncc2)c(F)c1 ZINC000153952813 432459895 /nfs/dbraw/zinc/45/98/95/432459895.db2.gz XJSSPCKABRROMS-MRXNPFEDSA-N 1 0 301.321 3.466 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000154002248 432461826 /nfs/dbraw/zinc/46/18/26/432461826.db2.gz OWKUSNJVEQLYGI-OUCADQQQSA-N 1 0 308.378 3.069 20 5 DGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000261949562 432463268 /nfs/dbraw/zinc/46/32/68/432463268.db2.gz MTAFRSBSNDNBTA-NXEZZACHSA-N 1 0 317.311 3.414 20 5 DGBDRO CCOc1cc(NC[C@H]([NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC000261982523 432464828 /nfs/dbraw/zinc/46/48/28/432464828.db2.gz RQWBKFNYZGHZFR-AWEZNQCLSA-N 1 0 301.346 3.105 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000193328151 432466699 /nfs/dbraw/zinc/46/66/99/432466699.db2.gz KSRGOOCIBDGQOL-BXUZGUMPSA-N 1 0 316.361 3.313 20 5 DGBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000185113402 432467895 /nfs/dbraw/zinc/46/78/95/432467895.db2.gz KIDYEAHYFJFKCZ-INIZCTEOSA-N 1 0 320.776 3.246 20 5 DGBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000273120715 432553206 /nfs/dbraw/zinc/55/32/06/432553206.db2.gz ZHNWMLVUFYYPGK-HUUCEWRRSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCOC(F)F ZINC000194024649 432516778 /nfs/dbraw/zinc/51/67/78/432516778.db2.gz SJXOOYNWNPBUNO-LLVKDONJSA-N 1 0 302.321 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000194089781 432524453 /nfs/dbraw/zinc/52/44/53/432524453.db2.gz SGQAOYSBRYPGPV-BZUAXINKSA-N 1 0 302.374 3.032 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000273058101 432545108 /nfs/dbraw/zinc/54/51/08/432545108.db2.gz LVUXPFLDZBANPK-ZIAGYGMSSA-N 1 0 322.405 3.288 20 5 DGBDRO C[C@]1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273067938 432546885 /nfs/dbraw/zinc/54/68/85/432546885.db2.gz NUQIZQXYKCXXGX-CABCVRRESA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000273088183 432547416 /nfs/dbraw/zinc/54/74/16/432547416.db2.gz MHWPKSAOCJNRGP-UHFFFAOYSA-N 1 0 323.824 3.355 20 5 DGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000177360281 432615593 /nfs/dbraw/zinc/61/55/93/432615593.db2.gz FWVJDDGVCDOMSE-UHFFFAOYSA-N 1 0 319.386 3.279 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCOC2)s1 ZINC000263787400 432577682 /nfs/dbraw/zinc/57/76/82/432577682.db2.gz GRKDESTVOCFFDJ-GFCCVEGCSA-N 1 0 318.398 3.449 20 5 DGBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)C ZINC000263825865 432582303 /nfs/dbraw/zinc/58/23/03/432582303.db2.gz ZZMWDGBNOKDDOX-UHFFFAOYSA-N 1 0 313.785 3.165 20 5 DGBDRO COc1ccccc1OCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000177109743 432586667 /nfs/dbraw/zinc/58/66/67/432586667.db2.gz LZLWYYQGBSTUSG-ZDUSSCGKSA-N 1 0 316.357 3.333 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000186361248 432586698 /nfs/dbraw/zinc/58/66/98/432586698.db2.gz ADJOLOIXZLHCOQ-GOEBONIOSA-N 1 0 310.369 3.417 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccccn1 ZINC000273406573 432595985 /nfs/dbraw/zinc/59/59/85/432595985.db2.gz NNDOUPCNJVSTHJ-UHFFFAOYSA-N 1 0 301.346 3.021 20 5 DGBDRO Cc1nc(NC[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268429921 281974523 /nfs/dbraw/zinc/97/45/23/281974523.db2.gz AYZHLQPGOWGCBV-OAHLLOKOSA-N 1 0 300.362 3.013 20 5 DGBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC1([NH+](C)C)CCC1 ZINC000186948508 432637943 /nfs/dbraw/zinc/63/79/43/432637943.db2.gz UBURIFPAKHNJJA-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccsc1)[NH+](C)C ZINC000264445796 432646887 /nfs/dbraw/zinc/64/68/87/432646887.db2.gz GSSYAGDJRMWSTF-CYBMUJFWSA-N 1 0 306.391 3.075 20 5 DGBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)C[NH+]1CCCCC1 ZINC000227649843 432713205 /nfs/dbraw/zinc/71/32/05/432713205.db2.gz RVWZDTGTPMYIRA-LLVKDONJSA-N 1 0 312.801 3.177 20 5 DGBDRO C[C@@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000265643937 432717389 /nfs/dbraw/zinc/71/73/89/432717389.db2.gz KBZJIANWILTFKV-JTQLQIEISA-N 1 0 324.764 3.369 20 5 DGBDRO COc1cccc(NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000274599596 432687472 /nfs/dbraw/zinc/68/74/72/432687472.db2.gz MFVQHRODTKGFTC-CYBMUJFWSA-N 1 0 321.402 3.380 20 5 DGBDRO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178554137 432752187 /nfs/dbraw/zinc/75/21/87/432752187.db2.gz DOTUQKRXYWKEPD-CHWSQXEVSA-N 1 0 300.358 3.499 20 5 DGBDRO C[C@@H](CCO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000266181911 432754246 /nfs/dbraw/zinc/75/42/46/432754246.db2.gz VMZOBTMGPJGCLB-LBPRGKRZSA-N 1 0 320.414 3.431 20 5 DGBDRO COCCCOC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266513146 432759304 /nfs/dbraw/zinc/75/93/04/432759304.db2.gz FFDVZWOWMNPXJP-CQSZACIVSA-N 1 0 322.405 3.173 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cnn(C)c1 ZINC000266534244 432761346 /nfs/dbraw/zinc/76/13/46/432761346.db2.gz NBSMBVKSDQAWQU-DOMZBBRYSA-N 1 0 300.362 3.226 20 5 DGBDRO C[C@@H]([NH2+]CCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178661301 432763253 /nfs/dbraw/zinc/76/32/53/432763253.db2.gz BGTJFVZEWZRADT-CQSZACIVSA-N 1 0 300.358 3.462 20 5 DGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CCO)c1ccccc1 ZINC000266573653 432766538 /nfs/dbraw/zinc/76/65/38/432766538.db2.gz FHHUHHMFXZFOPM-SFHVURJKSA-N 1 0 314.385 3.193 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000236878365 432769539 /nfs/dbraw/zinc/76/95/39/432769539.db2.gz FISPXHAAGITBPP-HZPDHXFCSA-N 1 0 304.390 3.422 20 5 DGBDRO Cc1c(C[N@@H+](C)[C@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000266594417 432769542 /nfs/dbraw/zinc/76/95/42/432769542.db2.gz ODZQCWRHQFWJSH-GOSISDBHSA-N 1 0 314.385 3.459 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1O ZINC000178409771 432732432 /nfs/dbraw/zinc/73/24/32/432732432.db2.gz HBDVXQLUGHNJBQ-LBPRGKRZSA-N 1 0 316.357 3.468 20 5 DGBDRO CC(C)(C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178429351 432735786 /nfs/dbraw/zinc/73/57/86/432735786.db2.gz MBNWCDCOPQFYSZ-HZPDHXFCSA-N 1 0 320.433 3.303 20 5 DGBDRO CCOC(CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OCC ZINC000276573429 432819673 /nfs/dbraw/zinc/81/96/73/432819673.db2.gz UKNCQWHWFPCGQX-CYBMUJFWSA-N 1 0 310.394 3.343 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000267181881 432819832 /nfs/dbraw/zinc/81/98/32/432819832.db2.gz KKUVVGZEWHHNNX-SJCJKPOMSA-N 1 0 318.348 3.254 20 5 DGBDRO CC(C)[N@@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276690339 432825014 /nfs/dbraw/zinc/82/50/14/432825014.db2.gz WBYMKYSJEWLLHM-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000161546133 432784580 /nfs/dbraw/zinc/78/45/80/432784580.db2.gz FMVYGRXWAKFBJA-CJNGLKHVSA-N 1 0 300.358 3.022 20 5 DGBDRO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266761221 432785608 /nfs/dbraw/zinc/78/56/08/432785608.db2.gz GRPOERPHRRBDEX-MEDUHNTESA-N 1 0 304.321 3.118 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161922890 432804807 /nfs/dbraw/zinc/80/48/07/432804807.db2.gz DABQEYTZVZITNE-DOMZBBRYSA-N 1 0 319.380 3.187 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000245897136 432867936 /nfs/dbraw/zinc/86/79/36/432867936.db2.gz KNWATDMQGDDCBK-VXGBXAGGSA-N 1 0 316.361 3.123 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000245911092 432868815 /nfs/dbraw/zinc/86/88/15/432868815.db2.gz MMXDOJPTDYIMFV-VXGBXAGGSA-N 1 0 316.361 3.123 20 5 DGBDRO Cc1nc(NC2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000268433772 432871936 /nfs/dbraw/zinc/87/19/36/432871936.db2.gz BQXGBRFRELKYOB-UHFFFAOYSA-N 1 0 304.394 3.117 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245535329 432839822 /nfs/dbraw/zinc/83/98/22/432839822.db2.gz WMBOBBCCUBPZRN-MPGHIAIKSA-N 1 0 317.433 3.380 20 5 DGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000163172768 432845750 /nfs/dbraw/zinc/84/57/50/432845750.db2.gz XRIASYFWCUPZOH-HIFRSBDPSA-N 1 0 319.405 3.400 20 5 DGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000268199315 432854427 /nfs/dbraw/zinc/85/44/27/432854427.db2.gz XHCFEOLMPILLCI-MEDUHNTESA-N 1 0 312.373 3.038 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000330654989 432923182 /nfs/dbraw/zinc/92/31/82/432923182.db2.gz MHONSHHZTGGOTO-CHWSQXEVSA-N 1 0 305.378 3.105 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCc3nccn3C2)cccc1[N+](=O)[O-] ZINC000279056013 432930544 /nfs/dbraw/zinc/93/05/44/432930544.db2.gz YLJFGKBGMIBHCM-ZIAGYGMSSA-N 1 0 314.389 3.013 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000331155322 432931885 /nfs/dbraw/zinc/93/18/85/432931885.db2.gz YHXWFMRLSSIVNJ-FPMFFAJLSA-N 1 0 319.405 3.256 20 5 DGBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279182087 432942908 /nfs/dbraw/zinc/94/29/08/432942908.db2.gz VQRZMNHHITULEB-LKJSKEAUSA-N 1 0 324.446 3.064 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000278812805 432904195 /nfs/dbraw/zinc/90/41/95/432904195.db2.gz YSVPIXLVKXXKGN-QMTHXVAHSA-N 1 0 320.418 3.091 20 5 DGBDRO CC1(C)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000330397370 432906245 /nfs/dbraw/zinc/90/62/45/432906245.db2.gz HCIDAIPGPCZHGW-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO CCC1([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCC1 ZINC000296513515 432917683 /nfs/dbraw/zinc/91/76/83/432917683.db2.gz ZYVTZXOOGFVYNN-UHFFFAOYSA-N 1 0 316.361 3.457 20 5 DGBDRO CN(C(=O)C[N@@H+]1CCC[C@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000330622645 432920884 /nfs/dbraw/zinc/92/08/84/432920884.db2.gz OBMFWZJHAVFVLZ-HNNXBMFYSA-N 1 0 319.405 3.068 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000332368589 433001334 /nfs/dbraw/zinc/00/13/34/433001334.db2.gz WJRGMENQKXGUAA-KBPBESRZSA-N 1 0 314.389 3.269 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000279364716 432959968 /nfs/dbraw/zinc/95/99/68/432959968.db2.gz WOCARRGXIWDKIK-CZUORRHYSA-N 1 0 322.405 3.023 20 5 DGBDRO COCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000349802584 433012210 /nfs/dbraw/zinc/01/22/10/433012210.db2.gz UVVYKPKFHJTVBB-UHFFFAOYSA-N 1 0 306.387 3.402 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000280249921 433022762 /nfs/dbraw/zinc/02/27/62/433022762.db2.gz YWZRJANGNVBFBP-VIFPVBQESA-N 1 0 318.345 3.039 20 5 DGBDRO CC(C)CC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000361306747 433094285 /nfs/dbraw/zinc/09/42/85/433094285.db2.gz YDDLVFSUXSVBQJ-KRWDZBQOSA-N 1 0 306.406 3.356 20 5 DGBDRO C[C@H]1C[C@H](C[NH3+])CN1c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420219440 433126465 /nfs/dbraw/zinc/12/64/65/433126465.db2.gz QWGKKWXQRDHURW-JGVFFNPUSA-N 1 0 304.177 3.075 20 5 DGBDRO CCc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373222057 433132849 /nfs/dbraw/zinc/13/28/49/433132849.db2.gz WPTGODUNPSGCDG-UHFFFAOYSA-N 1 0 314.389 3.191 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCC3CCCC3)CC2)n1 ZINC000373217679 433133783 /nfs/dbraw/zinc/13/37/83/433133783.db2.gz FNEHHVMKDPUYRP-UHFFFAOYSA-N 1 0 306.410 3.399 20 5 DGBDRO Cc1cc(C)cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373228194 433138603 /nfs/dbraw/zinc/13/86/03/433138603.db2.gz HHCCFUDNVSOKGH-UHFFFAOYSA-N 1 0 314.389 3.245 20 5 DGBDRO CCOC(=O)C1(C)CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000354547950 433141396 /nfs/dbraw/zinc/14/13/96/433141396.db2.gz UJUDZPXMIKBZEN-UHFFFAOYSA-N 1 0 320.389 3.196 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000420282412 433143663 /nfs/dbraw/zinc/14/36/63/433143663.db2.gz NCUSMNBHCQBNQO-VXGBXAGGSA-N 1 0 300.362 3.072 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420286069 433144796 /nfs/dbraw/zinc/14/47/96/433144796.db2.gz QFICWVUVEWOSRJ-RYUDHWBXSA-N 1 0 300.362 3.072 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCC[C@H]1CCOC1)C1CC1 ZINC000453391014 433148887 /nfs/dbraw/zinc/14/88/87/433148887.db2.gz XVKQXHQNOXQZSN-WMLDXEAASA-N 1 0 318.417 3.322 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC)[C@H](C)O ZINC000453334142 433101083 /nfs/dbraw/zinc/10/10/83/433101083.db2.gz JHLUURNIWJDVTQ-YNEHKIRRSA-N 1 0 312.435 3.215 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC=Cc3ccccc3)nc2c1 ZINC000446832213 433110042 /nfs/dbraw/zinc/11/00/42/433110042.db2.gz NLWQHRWLMIFLFD-DAXSKMNVSA-N 1 0 308.341 3.274 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341520843 433111338 /nfs/dbraw/zinc/11/13/38/433111338.db2.gz SNALODBJNVPNDX-OAHLLOKOSA-N 1 0 323.824 3.308 20 5 DGBDRO C[NH2+][C@@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420154748 433114736 /nfs/dbraw/zinc/11/47/36/433114736.db2.gz JIPXMSPKDFSAIT-SECBINFHSA-N 1 0 304.177 3.090 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(C)=C(C)C1 ZINC000280738375 433156807 /nfs/dbraw/zinc/15/68/07/433156807.db2.gz LZUHNHUPKKRMSD-UHFFFAOYSA-N 1 0 317.389 3.274 20 5 DGBDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290809544 433174790 /nfs/dbraw/zinc/17/47/90/433174790.db2.gz GBCQGELYDBDQKB-RKDXNWHRSA-N 1 0 321.204 3.398 20 5 DGBDRO CC[C@@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290867811 433194091 /nfs/dbraw/zinc/19/40/91/433194091.db2.gz LAEMXYWOQVZJMY-SNVBAGLBSA-N 1 0 307.177 3.152 20 5 DGBDRO CCC[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000374445203 433194159 /nfs/dbraw/zinc/19/41/59/433194159.db2.gz XVZDOTIBQPZWRK-GOEBONIOSA-N 1 0 314.389 3.306 20 5 DGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCC(C)(C)C1 ZINC000361471840 433194397 /nfs/dbraw/zinc/19/43/97/433194397.db2.gz VHIOJXWGOFWPCG-LBPRGKRZSA-N 1 0 302.378 3.482 20 5 DGBDRO CN(CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000337217190 433213653 /nfs/dbraw/zinc/21/36/53/433213653.db2.gz AYPHAUSJOWTJGX-UHFFFAOYSA-N 1 0 311.813 3.166 20 5 DGBDRO C[NH+](C)CC(C)(C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000453600675 433230918 /nfs/dbraw/zinc/23/09/18/433230918.db2.gz RSDYKWFBJQNMFY-UHFFFAOYSA-N 1 0 317.389 3.285 20 5 DGBDRO CC(C)C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447580538 433237092 /nfs/dbraw/zinc/23/70/92/433237092.db2.gz OTWFHLDCMLQUHI-KGLIPLIRSA-N 1 0 306.410 3.301 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1CN(C)Cc1cnc(C)s1 ZINC000298751799 433237779 /nfs/dbraw/zinc/23/77/79/433237779.db2.gz WLXBPMJBQWBAQI-UHFFFAOYSA-N 1 0 307.375 3.000 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCCS2)n1 ZINC000447599563 433241171 /nfs/dbraw/zinc/24/11/71/433241171.db2.gz KJQNCGJDVYAOTF-MGPQQGTHSA-N 1 0 324.450 3.150 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413265777 433269118 /nfs/dbraw/zinc/26/91/18/433269118.db2.gz NSKJZZUWVOWOKD-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000453623010 433243627 /nfs/dbraw/zinc/24/36/27/433243627.db2.gz OKHBMTNXXIADIC-KRWDZBQOSA-N 1 0 320.389 3.149 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC(C)(C)CC ZINC000453617935 433247185 /nfs/dbraw/zinc/24/71/85/433247185.db2.gz RXGGZKDMRFIWCH-UHFFFAOYSA-N 1 0 310.394 3.288 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000374715949 433262420 /nfs/dbraw/zinc/26/24/20/433262420.db2.gz OIKVDYFWUPLIAL-YPMHNXCESA-N 1 0 310.781 3.107 20 5 DGBDRO Cc1c(CN2CCCC[C@@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000281199797 433271099 /nfs/dbraw/zinc/27/10/99/433271099.db2.gz AKCKANBVBQFDGS-QGZVFWFLSA-N 1 0 314.389 3.364 20 5 DGBDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000291584117 433277799 /nfs/dbraw/zinc/27/77/99/433277799.db2.gz PDTIXWLNVGSJMY-INIZCTEOSA-N 1 0 302.374 3.368 20 5 DGBDRO CO[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000338548383 433304788 /nfs/dbraw/zinc/30/47/88/433304788.db2.gz XHKVCYGGKIDWJC-KRWDZBQOSA-N 1 0 300.358 3.414 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000301123045 433426114 /nfs/dbraw/zinc/42/61/14/433426114.db2.gz MYEYAZONNRVWCI-LRDDRELGSA-N 1 0 306.410 3.221 20 5 DGBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccsc1 ZINC000421012819 433383558 /nfs/dbraw/zinc/38/35/58/433383558.db2.gz QPBVCJKLXLDFOA-LBPRGKRZSA-N 1 0 308.407 3.324 20 5 DGBDRO C[C@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000351144859 433387446 /nfs/dbraw/zinc/38/74/46/433387446.db2.gz JCELGBCHBONVPG-OPRDCNLKSA-N 1 0 306.322 3.172 20 5 DGBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+](C)C)cc1 ZINC000301198241 433448975 /nfs/dbraw/zinc/44/89/75/433448975.db2.gz OVMZDKKLDWMKHT-INIZCTEOSA-N 1 0 314.389 3.321 20 5 DGBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000301202685 433450614 /nfs/dbraw/zinc/45/06/14/433450614.db2.gz QZIKTYTXTMXSDU-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CCOC)cc1[N+](=O)[O-] ZINC000414197927 433456725 /nfs/dbraw/zinc/45/67/25/433456725.db2.gz KFVMEDVMGDMXJU-CHWSQXEVSA-N 1 0 310.394 3.317 20 5 DGBDRO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000301263229 433476866 /nfs/dbraw/zinc/47/68/66/433476866.db2.gz GSJOKVJFLHNEER-SNVBAGLBSA-N 1 0 300.790 3.031 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1csnn1 ZINC000414296238 433519444 /nfs/dbraw/zinc/51/94/44/433519444.db2.gz GHCFUQHJWRKVAU-MNOVXSKESA-N 1 0 306.391 3.118 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2)n1 ZINC000351489195 433525988 /nfs/dbraw/zinc/52/59/88/433525988.db2.gz CHDMYTXKNGCEBD-GJZGRUSLSA-N 1 0 300.362 3.065 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cccs2)n1 ZINC000351496227 433532777 /nfs/dbraw/zinc/53/27/77/433532777.db2.gz SQMPTZHCQXXMRS-KGLIPLIRSA-N 1 0 320.418 3.169 20 5 DGBDRO CC[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000421390741 433537792 /nfs/dbraw/zinc/53/77/92/433537792.db2.gz VBOOFEPBKPIQHJ-LBPRGKRZSA-N 1 0 302.378 3.131 20 5 DGBDRO COC1([C@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000414313926 433538592 /nfs/dbraw/zinc/53/85/92/433538592.db2.gz ZBWKTEGOLCCYMJ-KBPBESRZSA-N 1 0 306.406 3.463 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000301298664 433492896 /nfs/dbraw/zinc/49/28/96/433492896.db2.gz YZOCRRAFVGVUGO-AWEZNQCLSA-N 1 0 314.389 3.231 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000375615988 433506713 /nfs/dbraw/zinc/50/67/13/433506713.db2.gz CCDSJMXQWOIJHH-OAHLLOKOSA-N 1 0 316.361 3.054 20 5 DGBDRO Cc1cc(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301437142 433553613 /nfs/dbraw/zinc/55/36/13/433553613.db2.gz MVSNBCMMEWDDSR-ZIAGYGMSSA-N 1 0 320.437 3.468 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000342233021 433555836 /nfs/dbraw/zinc/55/58/36/433555836.db2.gz ZJRKAQDNPCTUSI-UHFFFAOYSA-N 1 0 312.325 3.102 20 5 DGBDRO Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301451358 433560885 /nfs/dbraw/zinc/56/08/85/433560885.db2.gz AEYPKDFJIWNDGS-GFCCVEGCSA-N 1 0 307.781 3.007 20 5 DGBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000339429190 433576480 /nfs/dbraw/zinc/57/64/80/433576480.db2.gz PZQKFAJLAZIRNW-MRXNPFEDSA-N 1 0 323.824 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@H](F)C2)c1 ZINC000342272255 433576413 /nfs/dbraw/zinc/57/64/13/433576413.db2.gz DPERIGXADYHJKY-VHSXEESVSA-N 1 0 304.268 3.176 20 5 DGBDRO CC[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000342289804 433587372 /nfs/dbraw/zinc/58/73/72/433587372.db2.gz PWHPTVXAPOGMER-WMLDXEAASA-N 1 0 305.422 3.367 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000414454929 433628464 /nfs/dbraw/zinc/62/84/64/433628464.db2.gz ASNZKSIPZYSOTP-OAHLLOKOSA-N 1 0 312.373 3.073 20 5 DGBDRO Cc1nc(NC[C@H](c2cccc(F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301649852 433658664 /nfs/dbraw/zinc/65/86/64/433658664.db2.gz PMHJBSHKUFKBPD-OAHLLOKOSA-N 1 0 318.352 3.152 20 5 DGBDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000366882759 293000265 /nfs/dbraw/zinc/00/02/65/293000265.db2.gz MCLJOORHKLECGY-GDBMZVCRSA-N 1 0 314.389 3.059 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1F ZINC000366996976 293012011 /nfs/dbraw/zinc/01/20/11/293012011.db2.gz POLAUIWFHKEMLY-DZGCQCFKSA-N 1 0 322.380 3.373 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000367436486 293071758 /nfs/dbraw/zinc/07/17/58/293071758.db2.gz GFEJCMAFYBDOBP-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000301749452 433708233 /nfs/dbraw/zinc/70/82/33/433708233.db2.gz AABGDJANBDIUHR-KDOFPFPSSA-N 1 0 315.417 3.356 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3CCCCCC3)CC2)n1 ZINC000373285054 293256170 /nfs/dbraw/zinc/25/61/70/293256170.db2.gz NJMZMZCOYJFDTQ-UHFFFAOYSA-N 1 0 306.410 3.399 20 5 DGBDRO CCCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000373783270 293315962 /nfs/dbraw/zinc/31/59/62/293315962.db2.gz PWRWXYHOWAWWOP-INIZCTEOSA-N 1 0 322.405 3.385 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)ccc1Cl ZINC000374369195 293390450 /nfs/dbraw/zinc/39/04/50/293390450.db2.gz UWNYNGAXDBJEEU-CQSZACIVSA-N 1 0 324.808 3.497 20 5 DGBDRO COc1ccc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449065088 433721263 /nfs/dbraw/zinc/72/12/63/433721263.db2.gz XNUCLUKJAKWHNK-CQSZACIVSA-N 1 0 314.385 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)cc1F ZINC000374623255 293426248 /nfs/dbraw/zinc/42/62/48/293426248.db2.gz VXXWZNIRFJZPGJ-CQSZACIVSA-N 1 0 316.332 3.217 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(CN(Cc3ccccn3)C3CC3)nc2c1 ZINC000356862382 433736196 /nfs/dbraw/zinc/73/61/96/433736196.db2.gz DZLPIQMDYGYPOY-UHFFFAOYSA-N 1 0 323.356 3.031 20 5 DGBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000339725681 433746649 /nfs/dbraw/zinc/74/66/49/433746649.db2.gz FCQAVROHZLJQAX-AWEZNQCLSA-N 1 0 312.797 3.135 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc([C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000414629952 433755956 /nfs/dbraw/zinc/75/59/56/433755956.db2.gz VBDOPLSXGAEIIR-BFHYXJOUSA-N 1 0 316.361 3.295 20 5 DGBDRO CC[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H](C)CO ZINC000293546719 433777894 /nfs/dbraw/zinc/77/78/94/433777894.db2.gz YQFCKGOVTWIPSY-QMMMGPOBSA-N 1 0 307.177 3.104 20 5 DGBDRO C[NH+](C)C1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301908529 433787498 /nfs/dbraw/zinc/78/74/98/433787498.db2.gz RJOPJQLTYBCPTI-UHFFFAOYSA-N 1 0 323.702 3.017 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000283942913 433801735 /nfs/dbraw/zinc/80/17/35/433801735.db2.gz AFQYUUPECLWHIZ-NVXWUHKLSA-N 1 0 320.389 3.137 20 5 DGBDRO Cc1cc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000302041034 433814359 /nfs/dbraw/zinc/81/43/59/433814359.db2.gz WJVDUYNAJYGYRX-AWEZNQCLSA-N 1 0 314.389 3.231 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000432333663 433822864 /nfs/dbraw/zinc/82/28/64/433822864.db2.gz CWYYWZZKGMMLFE-AAEUAGOBSA-N 1 0 309.797 3.169 20 5 DGBDRO CC(C)[N@H+](C)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433123579 433841524 /nfs/dbraw/zinc/84/15/24/433841524.db2.gz ZOADWNMZIJYGBO-MRXNPFEDSA-N 1 0 305.422 3.247 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433177654 433843244 /nfs/dbraw/zinc/84/32/44/433843244.db2.gz VEGNNHHGDZNVOL-PXAZEXFGSA-N 1 0 315.417 3.144 20 5 DGBDRO CC(C)(CCC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000293729037 433846266 /nfs/dbraw/zinc/84/62/66/433846266.db2.gz SZSJZLWDUZDWGS-UHFFFAOYSA-N 1 0 321.402 3.057 20 5 DGBDRO C/C=C\C[C@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433230283 433849557 /nfs/dbraw/zinc/84/95/57/433849557.db2.gz FICZKGDTFFJUSV-AAMGGEEVSA-N 1 0 304.390 3.234 20 5 DGBDRO COC1(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000293791631 433871182 /nfs/dbraw/zinc/87/11/82/433871182.db2.gz UIDKPXYQBKJPGI-CQSZACIVSA-N 1 0 306.406 3.465 20 5 DGBDRO [NH3+]C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1 ZINC000414887801 433898444 /nfs/dbraw/zinc/89/84/44/433898444.db2.gz ZRAKUGPYTLSNTA-UHFFFAOYSA-N 1 0 317.414 3.294 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNCC[C@H]3CCC[NH2+]3)o2)cc1 ZINC000414899422 433904666 /nfs/dbraw/zinc/90/46/66/433904666.db2.gz BUERGWRJDRUTNZ-CQSZACIVSA-N 1 0 315.373 3.087 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccccc1[N+](=O)[O-] ZINC000303629203 433950626 /nfs/dbraw/zinc/95/06/26/433950626.db2.gz TWMBRJCEAAEMGH-OAHLLOKOSA-N 1 0 311.385 3.306 20 5 DGBDRO CC[NH+](CC)CCN(CC(C)C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000436453136 433971630 /nfs/dbraw/zinc/97/16/30/433971630.db2.gz ONFGANUGLGSLTO-UHFFFAOYSA-N 1 0 308.426 3.102 20 5 DGBDRO CCC[NH+]1CCC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450224856 434039409 /nfs/dbraw/zinc/03/94/09/434039409.db2.gz DGHLSZNXOMWIOR-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000498466356 294061654 /nfs/dbraw/zinc/06/16/54/294061654.db2.gz UXHIFVIXEQLMHC-INIZCTEOSA-N 1 0 321.421 3.081 20 5 DGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500125952 294105213 /nfs/dbraw/zinc/10/52/13/294105213.db2.gz QLVUJBGHSSXIBX-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO CCC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000501874487 294152667 /nfs/dbraw/zinc/15/26/67/294152667.db2.gz YDHDQDWSIAPXDD-CQSZACIVSA-N 1 0 321.421 3.304 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)COC ZINC000504899120 294223661 /nfs/dbraw/zinc/22/36/61/294223661.db2.gz BBGARFIEILTELB-CHWSQXEVSA-N 1 0 312.435 3.338 20 5 DGBDRO CCC[C@@H](O)C[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000504912685 294224094 /nfs/dbraw/zinc/22/40/94/294224094.db2.gz ZLKGROIAQPHMEJ-CHWSQXEVSA-N 1 0 312.435 3.216 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCOC ZINC000504899851 294224419 /nfs/dbraw/zinc/22/44/19/294224419.db2.gz NKOIUHDWNZMHMP-STQMWFEESA-N 1 0 312.435 3.480 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000507420641 294297618 /nfs/dbraw/zinc/29/76/18/294297618.db2.gz JQPHFMVDDOBOOA-FMKPAKJESA-N 1 0 306.406 3.321 20 5 DGBDRO COCC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000510602735 294387175 /nfs/dbraw/zinc/38/71/75/294387175.db2.gz QOJINMQHONLZQI-CQSZACIVSA-N 1 0 316.348 3.414 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000340446251 434133863 /nfs/dbraw/zinc/13/38/63/434133863.db2.gz KVBDIRIUIXCDLA-OLZOCXBDSA-N 1 0 315.373 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC4(CC4)CC3)n2)cc1 ZINC000378325109 434141701 /nfs/dbraw/zinc/14/17/01/434141701.db2.gz BTQOOUIERLLCIX-UHFFFAOYSA-N 1 0 314.345 3.021 20 5 DGBDRO C[C@H](CCCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000294764381 434142655 /nfs/dbraw/zinc/14/26/55/434142655.db2.gz JLAWPEVULUVAGK-SECBINFHSA-N 1 0 321.204 3.400 20 5 DGBDRO Cc1c([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363791583 434151014 /nfs/dbraw/zinc/15/10/14/434151014.db2.gz JWIRHWMUKMFAEY-SOUVJXGZSA-N 1 0 303.406 3.181 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000512884291 294455999 /nfs/dbraw/zinc/45/59/99/294455999.db2.gz CTHOHCQDLHQYIW-UKRRQHHQSA-N 1 0 306.406 3.480 20 5 DGBDRO CCC1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1 ZINC000295101478 434199538 /nfs/dbraw/zinc/19/95/38/434199538.db2.gz SWECALXKSVMLNG-UHFFFAOYSA-N 1 0 306.362 3.274 20 5 DGBDRO CC(C)[NH2+]CCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000515845376 294579393 /nfs/dbraw/zinc/57/93/93/294579393.db2.gz DSIJINKCDOFXIG-UHFFFAOYSA-N 1 0 321.421 3.010 20 5 DGBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358088825 434325658 /nfs/dbraw/zinc/32/56/58/434325658.db2.gz SXTBSKOHCMOWJW-VXGBXAGGSA-N 1 0 308.378 3.366 20 5 DGBDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000340736377 434330566 /nfs/dbraw/zinc/33/05/66/434330566.db2.gz IDXCZHHOMNQZDB-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO CC1(C)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000517616874 294683388 /nfs/dbraw/zinc/68/33/88/294683388.db2.gz PVIVDMMMBRWILX-GFCCVEGCSA-N 1 0 300.305 3.474 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CC1 ZINC000417357578 434367288 /nfs/dbraw/zinc/36/72/88/434367288.db2.gz RVTZVIYUYQATOK-CYBMUJFWSA-N 1 0 323.462 3.149 20 5 DGBDRO CC(C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000353721456 434367690 /nfs/dbraw/zinc/36/76/90/434367690.db2.gz RKXQNULTZXKYCD-HNNXBMFYSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1nn(C)cc1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358209424 434385688 /nfs/dbraw/zinc/38/56/88/434385688.db2.gz WYSBECVOTJYBOZ-ZDUSSCGKSA-N 1 0 316.405 3.310 20 5 DGBDRO CC(C)(CCO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308225 434350462 /nfs/dbraw/zinc/35/04/62/434350462.db2.gz HQVZDXKSLFVQKB-MRXNPFEDSA-N 1 0 306.406 3.361 20 5 DGBDRO [NH3+][C@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000423321119 434359417 /nfs/dbraw/zinc/35/94/17/434359417.db2.gz MTNYDXDCVKVLTC-MSOLQXFVSA-N 1 0 311.385 3.011 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCOC(C)C ZINC000353713659 434360263 /nfs/dbraw/zinc/36/02/63/434360263.db2.gz QLNBTEONKAHAPJ-UHFFFAOYSA-N 1 0 310.394 3.240 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000353780080 434428586 /nfs/dbraw/zinc/42/85/86/434428586.db2.gz KGIGEGAJSMAXMX-HOTGVXAUSA-N 1 0 322.405 3.239 20 5 DGBDRO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000359993836 434466703 /nfs/dbraw/zinc/46/67/03/434466703.db2.gz STBNQQWZAWQBNF-UHFFFAOYSA-N 1 0 300.786 3.353 20 5 DGBDRO CCC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCC1 ZINC000296062672 434497296 /nfs/dbraw/zinc/49/72/96/434497296.db2.gz BMGWISVJLQVXOY-UHFFFAOYSA-N 1 0 323.368 3.375 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000450948975 434500069 /nfs/dbraw/zinc/50/00/69/434500069.db2.gz IHOSTGSOONQEIM-CYBMUJFWSA-N 1 0 314.389 3.062 20 5 DGBDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000348840001 434519463 /nfs/dbraw/zinc/51/94/63/434519463.db2.gz YXDZFTVKFXJJTE-LBPRGKRZSA-N 1 0 304.346 3.322 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000348946365 434561144 /nfs/dbraw/zinc/56/11/44/434561144.db2.gz FIWXAKYPGVOOBW-QGZVFWFLSA-N 1 0 304.390 3.028 20 5 DGBDRO CC(C)c1cnc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000348924284 434556415 /nfs/dbraw/zinc/55/64/15/434556415.db2.gz WDIDFOCDGPGDSE-UHFFFAOYSA-N 1 0 320.418 3.140 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC000527203251 295083718 /nfs/dbraw/zinc/08/37/18/295083718.db2.gz OSLHQCMWBYBWJY-VXGBXAGGSA-N 1 0 316.361 3.326 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000354018420 434580628 /nfs/dbraw/zinc/58/06/28/434580628.db2.gz PWUHFSSYBJTROI-GMXVVIOVSA-N 1 0 310.419 3.396 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000459414649 434581492 /nfs/dbraw/zinc/58/14/92/434581492.db2.gz ATUVQBGFCREQGJ-UHFFFAOYSA-N 1 0 317.433 3.134 20 5 DGBDRO Cc1noc(C2CN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)C2)n1 ZINC000459603772 434628376 /nfs/dbraw/zinc/62/83/76/434628376.db2.gz IMRHCXSJMYZPBP-UHFFFAOYSA-N 1 0 316.361 3.009 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](OC)C(C)C)cc1[N+](=O)[O-] ZINC000349207378 434635581 /nfs/dbraw/zinc/63/55/81/434635581.db2.gz GWZPZFDZTHKGKO-WBMJQRKESA-N 1 0 310.394 3.315 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CC(C)(C)C1 ZINC000459746806 434694289 /nfs/dbraw/zinc/69/42/89/434694289.db2.gz VGZVBKBSUAMNPZ-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N(C)C ZINC000349249884 434649005 /nfs/dbraw/zinc/64/90/05/434649005.db2.gz VNRMIPRKCXDTQA-STQMWFEESA-N 1 0 311.451 3.005 20 5 DGBDRO Cc1ncc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000459669486 434657341 /nfs/dbraw/zinc/65/73/41/434657341.db2.gz DIWWUWLMNNQIFL-BBRMVZONSA-N 1 0 315.373 3.392 20 5 DGBDRO CCOC[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000459676281 434658498 /nfs/dbraw/zinc/65/84/98/434658498.db2.gz NKYGWDQEKGUXPJ-MNDMWVCDSA-N 1 0 304.390 3.499 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000349356657 434690035 /nfs/dbraw/zinc/69/00/35/434690035.db2.gz VYVANRNULMLDSQ-BLLLJJGKSA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459753756 434700473 /nfs/dbraw/zinc/70/04/73/434700473.db2.gz NUGCJRFDJGMLNI-STQMWFEESA-N 1 0 302.378 3.000 20 5 DGBDRO Cc1nccn1CCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349405037 434707186 /nfs/dbraw/zinc/70/71/86/434707186.db2.gz GYUNMADOAPENQW-YVMONPNESA-N 1 0 314.389 3.135 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)Cc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000360862471 434712067 /nfs/dbraw/zinc/71/20/67/434712067.db2.gz VWDGWRPYRYOCHT-WBMJQRKESA-N 1 0 300.362 3.057 20 5 DGBDRO C[C@@H](C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459786220 434718219 /nfs/dbraw/zinc/71/82/19/434718219.db2.gz BPQXSSMXVOCTAN-ZDUSSCGKSA-N 1 0 322.405 3.047 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000459791801 434722415 /nfs/dbraw/zinc/72/24/15/434722415.db2.gz TVZFEFJLBXEHGX-XFMPKHEZSA-N 1 0 317.389 3.008 20 5 DGBDRO CC1(C)[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000371799479 434754937 /nfs/dbraw/zinc/75/49/37/434754937.db2.gz PBQAPESZNYRURS-ZBAMVJMBSA-N 1 0 316.401 3.401 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000411133908 434728667 /nfs/dbraw/zinc/72/86/67/434728667.db2.gz IMONCGDCRPKMSL-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411306875 434761528 /nfs/dbraw/zinc/76/15/28/434761528.db2.gz WUANUWZGAQNLKI-GXTWGEPZSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000361030045 434771918 /nfs/dbraw/zinc/77/19/18/434771918.db2.gz IQJDWFYWHRWNMS-CVEARBPZSA-N 1 0 322.405 3.285 20 5 DGBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000361029055 434771990 /nfs/dbraw/zinc/77/19/90/434771990.db2.gz QKPPVRBDNAMNLO-NEPJUHHUSA-N 1 0 304.346 3.104 20 5 DGBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000361029783 434772522 /nfs/dbraw/zinc/77/25/22/434772522.db2.gz IXARMVFYIXCWSP-NWDGAFQWSA-N 1 0 304.346 3.104 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000361030047 434772900 /nfs/dbraw/zinc/77/29/00/434772900.db2.gz IQJDWFYWHRWNMS-HZPDHXFCSA-N 1 0 322.405 3.285 20 5 DGBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000419379833 434781627 /nfs/dbraw/zinc/78/16/27/434781627.db2.gz XBBBCJXGCMTITR-UTUOFQBUSA-N 1 0 316.361 3.121 20 5 DGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411548617 434799278 /nfs/dbraw/zinc/79/92/78/434799278.db2.gz FLRAXFZQYJCDNC-ZIAGYGMSSA-N 1 0 319.405 3.482 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC(C)(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000412041492 434858742 /nfs/dbraw/zinc/85/87/42/434858742.db2.gz LMNVYZOKYAYGGI-DGCLKSJQSA-N 1 0 319.405 3.351 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](CC(C)(C)C)C1(C)C ZINC000412042398 434858822 /nfs/dbraw/zinc/85/88/22/434858822.db2.gz VELJXZIYGWIKPV-GFCCVEGCSA-N 1 0 308.426 3.365 20 5 DGBDRO C[C@H](CN1CCCCC1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573696999 434919232 /nfs/dbraw/zinc/91/92/32/434919232.db2.gz OPYGPMQFSLPVLL-CZUORRHYSA-N 1 0 303.406 3.046 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1nnc(C(C)C)s1 ZINC000492222357 434938597 /nfs/dbraw/zinc/93/85/97/434938597.db2.gz DHFPNIDGBUAYRU-UHFFFAOYSA-N 1 0 320.418 3.210 20 5 DGBDRO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC(C)(C)C ZINC000463369638 434955327 /nfs/dbraw/zinc/95/53/27/434955327.db2.gz QDLFNEYWLSKUKI-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO Cc1cccc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000555167274 434964108 /nfs/dbraw/zinc/96/41/08/434964108.db2.gz DSGOVCVANCWGRS-HNNXBMFYSA-N 1 0 303.406 3.071 20 5 DGBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000462846323 434933313 /nfs/dbraw/zinc/93/33/13/434933313.db2.gz APMSQRXSEWJSOL-UHFFFAOYSA-N 1 0 317.336 3.340 20 5 DGBDRO CCOc1cc(C[NH+]2CCC(C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000492483388 434992630 /nfs/dbraw/zinc/99/26/30/434992630.db2.gz KFPLZSIULLLQQZ-UHFFFAOYSA-N 1 0 314.332 3.471 20 5 DGBDRO CC[C@@]1(C)CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000464779749 435000434 /nfs/dbraw/zinc/00/04/34/435000434.db2.gz PQVGSYGYVPTPCN-KRWDZBQOSA-N 1 0 322.405 3.494 20 5 DGBDRO C[C@H]1Cc2ccccc2C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000525126274 435005977 /nfs/dbraw/zinc/00/59/77/435005977.db2.gz SDICJTIFTOVIIE-AWEZNQCLSA-N 1 0 312.369 3.420 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000466420297 435076998 /nfs/dbraw/zinc/07/69/98/435076998.db2.gz ZAXNVJHCIDUCEA-MRXNPFEDSA-N 1 0 306.406 3.182 20 5 DGBDRO CCC[C@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000466491702 435079660 /nfs/dbraw/zinc/07/96/60/435079660.db2.gz XTFVQCKFWKCSBS-AWEZNQCLSA-N 1 0 319.405 3.354 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000556921292 435038815 /nfs/dbraw/zinc/03/88/15/435038815.db2.gz NCOKTYQOZDIDQD-ZBFHGGJFSA-N 1 0 305.422 3.428 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000556981296 435042088 /nfs/dbraw/zinc/04/20/88/435042088.db2.gz XHUPNRGCTGSNMH-AFCDSYGPSA-N 1 0 304.390 3.355 20 5 DGBDRO CCOc1cc(CN(C)CCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000492771401 435047454 /nfs/dbraw/zinc/04/74/54/435047454.db2.gz MOAAQCMMJUTAFY-UHFFFAOYSA-N 1 0 306.284 3.378 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC[C@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000466741984 435091485 /nfs/dbraw/zinc/09/14/85/435091485.db2.gz VFWSDJBZMSBYQF-CQSZACIVSA-N 1 0 322.405 3.350 20 5 DGBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493060044 435100877 /nfs/dbraw/zinc/10/08/77/435100877.db2.gz VMAGYPQPYDQZNG-STQMWFEESA-N 1 0 323.824 3.307 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000560608565 435185078 /nfs/dbraw/zinc/18/50/78/435185078.db2.gz RTDIEXGKILQJKV-OJRGUNPPSA-N 1 0 303.406 3.023 20 5 DGBDRO C[C@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000579892870 435190479 /nfs/dbraw/zinc/19/04/79/435190479.db2.gz IHTQRIUFFDQXPL-CYBMUJFWSA-N 1 0 317.364 3.303 20 5 DGBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000532968034 435203868 /nfs/dbraw/zinc/20/38/68/435203868.db2.gz OUNIBGHGEJCHGG-ZFWWWQNUSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1ccnc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000560514537 435175673 /nfs/dbraw/zinc/17/56/73/435175673.db2.gz PNDWRFKYJMPNQK-CYBMUJFWSA-N 1 0 301.346 3.028 20 5 DGBDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000579799971 435181926 /nfs/dbraw/zinc/18/19/26/435181926.db2.gz LNVJIOWHBMUBJI-CJNGLKHVSA-N 1 0 321.421 3.057 20 5 DGBDRO C[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000477919823 435285379 /nfs/dbraw/zinc/28/53/79/435285379.db2.gz XRNUGBHQDMQOHU-CQSZACIVSA-N 1 0 305.422 3.367 20 5 DGBDRO CC(C)(C)[N@@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000535083933 435317490 /nfs/dbraw/zinc/31/74/90/435317490.db2.gz OJHHWSRKOUYWLK-RMKNXTFCSA-N 1 0 317.433 3.414 20 5 DGBDRO CC(C)OC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000535079047 435318263 /nfs/dbraw/zinc/31/82/63/435318263.db2.gz UWWKAVMHXGEVMQ-ALCCZGGFSA-N 1 0 304.390 3.497 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000480055468 435365026 /nfs/dbraw/zinc/36/50/26/435365026.db2.gz BNNMZRHATRLPLV-ZIAGYGMSSA-N 1 0 319.405 3.472 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccncc1Cl ZINC000567628981 435336602 /nfs/dbraw/zinc/33/66/02/435336602.db2.gz SXENXCXYKHQKQQ-NSHDSACASA-N 1 0 321.764 3.373 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000536163208 435372417 /nfs/dbraw/zinc/37/24/17/435372417.db2.gz KZXUVRIZBJYUBB-KFWWJZLASA-N 1 0 306.406 3.321 20 5 DGBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000567992983 435377871 /nfs/dbraw/zinc/37/78/71/435377871.db2.gz CUYZMGSELNDFDM-MFKMUULPSA-N 1 0 300.786 3.135 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000568134405 435394546 /nfs/dbraw/zinc/39/45/46/435394546.db2.gz XZWDEVIFJMMDGC-ZDUSSCGKSA-N 1 0 322.409 3.145 20 5 DGBDRO CC1(C)CC(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000515163843 435464924 /nfs/dbraw/zinc/46/49/24/435464924.db2.gz PQVFUXHUBIYNKJ-KGLIPLIRSA-N 1 0 306.410 3.301 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000537963419 435476647 /nfs/dbraw/zinc/47/66/47/435476647.db2.gz KOYPVLIPSLZEDF-YALNPMBYSA-N 1 0 318.417 3.463 20 5 DGBDRO CC1(C)CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000568503113 435442510 /nfs/dbraw/zinc/44/25/10/435442510.db2.gz YVZUJCNPGTVQHD-ZDUSSCGKSA-N 1 0 319.405 3.482 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000537466403 435443340 /nfs/dbraw/zinc/44/33/40/435443340.db2.gz CBGIOSLQBDBFSH-GPCFVJJQSA-N 1 0 316.401 3.499 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H]2CCC2(C)C)cccc1[N+](=O)[O-] ZINC000516329929 435527476 /nfs/dbraw/zinc/52/74/76/435527476.db2.gz SBTUEPDLNSCBNN-BXUZGUMPSA-N 1 0 305.378 3.008 20 5 DGBDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000395 435491703 /nfs/dbraw/zinc/49/17/03/435491703.db2.gz IEHFPIUDYKKNMA-CPUCHLNUSA-N 1 0 317.433 3.292 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000538408208 435498653 /nfs/dbraw/zinc/49/86/53/435498653.db2.gz CCJFUPZXVCETMB-SJORKVTESA-N 1 0 318.417 3.465 20 5 DGBDRO CCCCN(CCOC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541071507 435636443 /nfs/dbraw/zinc/63/64/43/435636443.db2.gz ZNARSHDZMDLDQP-UHFFFAOYSA-N 1 0 300.786 3.497 20 5 DGBDRO CC(C)[NH+]1CCC(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000518215154 435629444 /nfs/dbraw/zinc/62/94/44/435629444.db2.gz NIKYHAYHNAIICI-MRXNPFEDSA-N 1 0 303.406 3.045 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1c1ccccn1 ZINC000518287385 435631343 /nfs/dbraw/zinc/63/13/43/435631343.db2.gz JDIYSAKBSUWPAW-INIZCTEOSA-N 1 0 313.357 3.336 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000570276843 435603855 /nfs/dbraw/zinc/60/38/55/435603855.db2.gz USTAUSXPWMTUEP-RDJZCZTQSA-N 1 0 304.390 3.028 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000488727929 435641707 /nfs/dbraw/zinc/64/17/07/435641707.db2.gz DYJFLSXIJFPDEZ-IJEWVQPXSA-N 1 0 303.406 3.070 20 5 DGBDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000571678279 435725999 /nfs/dbraw/zinc/72/59/99/435725999.db2.gz MYEGDOFQOLMCPD-AWEZNQCLSA-N 1 0 318.373 3.209 20 5 DGBDRO CC(C)C(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000551803291 435853088 /nfs/dbraw/zinc/85/30/88/435853088.db2.gz QWNNBBXUQCXALX-UHFFFAOYSA-N 1 0 320.437 3.040 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000536859033 313788820 /nfs/dbraw/zinc/78/88/20/313788820.db2.gz QFYGKOHPNHMOQN-GXTWGEPZSA-N 1 0 316.405 3.395 20 5 DGBDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)CC2 ZINC000540147859 313949203 /nfs/dbraw/zinc/94/92/03/313949203.db2.gz YNDYRGLILSBNSD-SFHVURJKSA-N 1 0 312.369 3.423 20 5 DGBDRO CCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000544529525 314196867 /nfs/dbraw/zinc/19/68/67/314196867.db2.gz HYAMTLCBJJUMIZ-AWEZNQCLSA-N 1 0 319.405 3.496 20 5 DGBDRO CCc1ccc([C@@H](CNc2ccc([N+](=O)[O-])nc2)[NH+](C)C)cc1 ZINC000559564081 314887146 /nfs/dbraw/zinc/88/71/46/314887146.db2.gz CKQKWSUKMLUFDF-MRXNPFEDSA-N 1 0 314.389 3.267 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCCn1ccnc1)CCC2 ZINC000559984711 314898038 /nfs/dbraw/zinc/89/80/38/314898038.db2.gz OTMCUQJDEWXFRH-KRWDZBQOSA-N 1 0 314.389 3.239 20 5 DGBDRO Cc1cc(N2CCC[C@@H](C[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000561264002 314961496 /nfs/dbraw/zinc/96/14/96/314961496.db2.gz COGFMBOWBLTODO-JTQLQIEISA-N 1 0 317.311 3.097 20 5 DGBDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562998169 315068766 /nfs/dbraw/zinc/06/87/66/315068766.db2.gz BCRTVFPICHNQFJ-CABCVRRESA-N 1 0 322.405 3.059 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563634581 315129208 /nfs/dbraw/zinc/12/92/08/315129208.db2.gz DFOCMHQDHWQELT-ZENOOKHLSA-N 1 0 303.406 3.045 20 5 DGBDRO C[C@H](c1nc(C2([NH3+])CCCCC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000564833040 315204169 /nfs/dbraw/zinc/20/41/69/315204169.db2.gz KEJOSSWRRIZZGW-NSHDSACASA-N 1 0 316.361 3.248 20 5 DGBDRO COCC1(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000565218481 315243711 /nfs/dbraw/zinc/24/37/11/315243711.db2.gz OJEPBMJWGXKVCA-HNNXBMFYSA-N 1 0 304.390 3.379 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2CCSCC2)n1 ZINC000567117311 315397613 /nfs/dbraw/zinc/39/76/13/315397613.db2.gz QTUYACPJJBXHPL-UONOGXRCSA-N 1 0 324.450 3.008 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC000570107522 315625597 /nfs/dbraw/zinc/62/55/97/315625597.db2.gz NAHFEJJYPCWFNR-HNNXBMFYSA-N 1 0 316.332 3.136 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(CCO)CCCC1 ZINC000574052747 315927954 /nfs/dbraw/zinc/92/79/54/315927954.db2.gz ACYHNQNWNUCLAQ-OAHLLOKOSA-N 1 0 304.390 3.115 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CO1 ZINC000575122777 316035357 /nfs/dbraw/zinc/03/53/57/316035357.db2.gz CHPVNGFLVKZHJK-MZMPZRCHSA-N 1 0 312.369 3.451 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000575992502 316084103 /nfs/dbraw/zinc/08/41/03/316084103.db2.gz TXSHCXNQVLHEOR-FFHGMXDLSA-N 1 0 303.406 3.179 20 5 DGBDRO CC(C)(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000576002416 316085123 /nfs/dbraw/zinc/08/51/23/316085123.db2.gz WWYIHOJBLQFSGF-INIZCTEOSA-N 1 0 317.433 3.294 20 5 DGBDRO CC(C)(CO)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000576907898 316181092 /nfs/dbraw/zinc/18/10/92/316181092.db2.gz RXYDNFJRPSHHLE-KRWDZBQOSA-N 1 0 314.385 3.444 20 5 DGBDRO CC(C)CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000179911210 323216963 /nfs/dbraw/zinc/21/69/63/323216963.db2.gz CXKSADFXDTWZKL-HNNXBMFYSA-N 1 0 323.437 3.197 20 5 DGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc2ccccc21 ZINC000181649502 323262750 /nfs/dbraw/zinc/26/27/50/323262750.db2.gz ONBPBIHLAQKOKB-ZDUSSCGKSA-N 1 0 310.357 3.295 20 5 DGBDRO CCOc1cccc(NC[C@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000184134907 323355879 /nfs/dbraw/zinc/35/58/79/323355879.db2.gz AXTDAZBIJLZIIF-CQSZACIVSA-N 1 0 321.421 3.383 20 5 DGBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000387556766 323646703 /nfs/dbraw/zinc/64/67/03/323646703.db2.gz WEPIPPPJQDQALJ-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO COc1ccc(C[NH2+]C2CCC3(CCCO3)CC2)cc1[N+](=O)[O-] ZINC000578386646 323726365 /nfs/dbraw/zinc/72/63/65/323726365.db2.gz XSHRZAQFWOQULW-UHFFFAOYSA-N 1 0 320.389 3.185 20 5 DGBDRO Cc1cc(N(C)CCC[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580427971 323996493 /nfs/dbraw/zinc/99/64/93/323996493.db2.gz OKIKXLLPECMALE-UHFFFAOYSA-N 1 0 319.327 3.310 20 5 DGBDRO C[C@H]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000581007432 324063384 /nfs/dbraw/zinc/06/33/84/324063384.db2.gz OLKCOMPVUVKGAF-JOCQHMNTSA-N 1 0 305.378 3.092 20 5 DGBDRO C[N@H+](CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000582944077 324294439 /nfs/dbraw/zinc/29/44/39/324294439.db2.gz FBHOAUQMSDQVQS-SFHVURJKSA-N 1 0 317.433 3.436 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2ccc(CC[NH+]3CCCC3)cc2)cn1 ZINC000583108026 324313407 /nfs/dbraw/zinc/31/34/07/324313407.db2.gz POQLYKFDGJOOTP-UHFFFAOYSA-N 1 0 312.373 3.372 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000583389522 324348610 /nfs/dbraw/zinc/34/86/10/324348610.db2.gz PQKZWNLZJMJDGC-UHFFFAOYSA-N 1 0 323.393 3.052 20 5 DGBDRO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000583499590 324361968 /nfs/dbraw/zinc/36/19/68/324361968.db2.gz PITMMPUNGTYKSK-JKSUJKDBSA-N 1 0 303.406 3.010 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000414065089 533761174 /nfs/dbraw/zinc/76/11/74/533761174.db2.gz GMQHKOUEGAUQML-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO C[C@@H](C[NH3+])N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435384557 533788659 /nfs/dbraw/zinc/78/86/59/533788659.db2.gz NBVSPXKUCUCUIT-NSHDSACASA-N 1 0 305.403 3.102 20 5 DGBDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000433036850 533793727 /nfs/dbraw/zinc/79/37/27/533793727.db2.gz ZNLGTRPFZNNXQL-DGCLKSJQSA-N 1 0 308.378 3.232 20 5 DGBDRO CSC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000292557972 533809100 /nfs/dbraw/zinc/80/91/00/533809100.db2.gz ZBUNWHOWLAGVFS-NSHDSACASA-N 1 0 321.402 3.311 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1cccc([N+](=O)[O-])c1 ZINC000433327788 533911576 /nfs/dbraw/zinc/91/15/76/533911576.db2.gz QDBQCZSPIYPXKQ-NSHDSACASA-N 1 0 312.329 3.429 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000298121439 534343541 /nfs/dbraw/zinc/34/35/41/534343541.db2.gz BSSYLAVWLYUNAB-UPJWGTAASA-N 1 0 305.378 3.103 20 5 DGBDRO Cc1nc(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301638598 534488716 /nfs/dbraw/zinc/48/87/16/534488716.db2.gz LPERNBKMTYMVPY-ZIAGYGMSSA-N 1 0 320.437 3.468 20 5 DGBDRO O=[N+]([O-])c1c(NCCC[NH+]2CCCC2)ccc2ncccc21 ZINC000315323093 534878845 /nfs/dbraw/zinc/87/88/45/534878845.db2.gz HTSCSMQVNYBGFU-UHFFFAOYSA-N 1 0 300.362 3.041 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415091706 534887378 /nfs/dbraw/zinc/88/73/78/534887378.db2.gz ZQEGZPKRYCBUFG-IAGOWNOFSA-N 1 0 311.385 3.178 20 5 DGBDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157584076 526033007 /nfs/dbraw/zinc/03/30/07/526033007.db2.gz HBWPZMWZXRMDJN-LBPRGKRZSA-N 1 0 314.345 3.231 20 5 DGBDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415058132 526619835 /nfs/dbraw/zinc/61/98/35/526619835.db2.gz SOVJJMHMSOZMMO-MRXNPFEDSA-N 1 0 317.389 3.318 20 5 DGBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183685530 526693009 /nfs/dbraw/zinc/69/30/09/526693009.db2.gz COWVGXLEASCNFF-ZDUSSCGKSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000266576949 527355927 /nfs/dbraw/zinc/35/59/27/527355927.db2.gz QOILTDWPYXXABA-UHFFFAOYSA-N 1 0 310.781 3.251 20 5 DGBDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415044073 527794620 /nfs/dbraw/zinc/79/46/20/527794620.db2.gz RZLYNUVDWFBUNZ-MRXNPFEDSA-N 1 0 315.373 3.085 20 5 DGBDRO CC(C)C[NH+]1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301801386 527963593 /nfs/dbraw/zinc/96/35/93/527963593.db2.gz UAUDJWPKYINUCN-UHFFFAOYSA-N 1 0 313.348 3.405 20 5 DGBDRO CCC[N@H+](CC)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413174686 527982592 /nfs/dbraw/zinc/98/25/92/527982592.db2.gz FADZYXMWISXOQA-UHFFFAOYSA-N 1 0 320.315 3.152 20 5 DGBDRO CC(C)c1ccc(CN[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000415060751 528100447 /nfs/dbraw/zinc/10/04/47/528100447.db2.gz VACFZIBTOBDDOZ-ZDUSSCGKSA-N 1 0 319.327 3.088 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000320463679 528248311 /nfs/dbraw/zinc/24/83/11/528248311.db2.gz LSCKDCBUTLFVCU-INIZCTEOSA-N 1 0 314.389 3.485 20 5 DGBDRO CCC(=O)c1ccc(NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000420621371 528458129 /nfs/dbraw/zinc/45/81/29/528458129.db2.gz CRPYBLOKBTXFEO-UHFFFAOYSA-N 1 0 319.405 3.472 20 5 DGBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000413115997 528519530 /nfs/dbraw/zinc/51/95/30/528519530.db2.gz OOBJRFFNDDZXFN-UHFFFAOYSA-N 1 0 320.315 3.151 20 5 DGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c2ncccc12)C(C)C ZINC000413109649 528519608 /nfs/dbraw/zinc/51/96/08/528519608.db2.gz GNBRBSUADXDQKN-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO CCOc1cccc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000302139473 528675030 /nfs/dbraw/zinc/67/50/30/528675030.db2.gz GBSQVHCNKNQTQA-STQMWFEESA-N 1 0 307.394 3.278 20 5 DGBDRO CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435616136 528783271 /nfs/dbraw/zinc/78/32/71/528783271.db2.gz RKBAZXOYWKERCT-AWEZNQCLSA-N 1 0 311.813 3.212 20 5 DGBDRO CC[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000422081078 529232008 /nfs/dbraw/zinc/23/20/08/529232008.db2.gz BWKORTFLUMNDHO-CYBMUJFWSA-N 1 0 306.387 3.184 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413106535 529343904 /nfs/dbraw/zinc/34/39/04/529343904.db2.gz BCZPPHUWJOFJIA-SECBINFHSA-N 1 0 320.315 3.151 20 5 DGBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000473820146 535635783 /nfs/dbraw/zinc/63/57/83/535635783.db2.gz BPIFLZZMRMEAJW-OLZOCXBDSA-N 1 0 322.405 3.396 20 5 DGBDRO CCOc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000487578958 535724379 /nfs/dbraw/zinc/72/43/79/535724379.db2.gz ZAMCFTUFDOMILN-UHFFFAOYSA-N 1 0 318.348 3.465 20 5 DGBDRO CC[C@@]1(C)CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000468122516 536048343 /nfs/dbraw/zinc/04/83/43/536048343.db2.gz WOHZFYLQSXCTLM-INIZCTEOSA-N 1 0 308.378 3.104 20 5 DGBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000449392623 536639271 /nfs/dbraw/zinc/63/92/71/536639271.db2.gz JWLAFQBARFOUBX-INIZCTEOSA-N 1 0 318.348 3.081 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000468561154 536808712 /nfs/dbraw/zinc/80/87/12/536808712.db2.gz SCKXHYQPLGHJGO-UHOFOFEASA-N 1 0 306.406 3.319 20 5 DGBDRO COCC1(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449341316 536818206 /nfs/dbraw/zinc/81/82/06/536818206.db2.gz SZMFBQACTGRXMB-AWEZNQCLSA-N 1 0 306.406 3.322 20 5 DGBDRO C[C@@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000741016664 574523557 /nfs/dbraw/zinc/52/35/57/574523557.db2.gz IZHLZYVULRZQHW-UTUOFQBUSA-N 1 0 324.352 3.038 20 5 DGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccccc1F ZINC000731671120 574554868 /nfs/dbraw/zinc/55/48/68/574554868.db2.gz AFFINGSYGXWSJX-UHFFFAOYSA-N 1 0 318.348 3.287 20 5 DGBDRO CC(C)[N@H+](C)CC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000732567632 574575949 /nfs/dbraw/zinc/57/59/49/574575949.db2.gz FVVLXFSQHRISQL-UHFFFAOYSA-N 1 0 309.385 3.291 20 5 DGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000735833170 574717303 /nfs/dbraw/zinc/71/73/03/574717303.db2.gz ZDXCLTICWJRIMU-NSHDSACASA-N 1 0 320.418 3.491 20 5 DGBDRO C[C@H]([N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C(C)(C)C ZINC000742145340 574839380 /nfs/dbraw/zinc/83/93/80/574839380.db2.gz RARCGFFIZKHRBQ-LBPRGKRZSA-N 1 0 317.393 3.177 20 5 DGBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000742178531 574983955 /nfs/dbraw/zinc/98/39/55/574983955.db2.gz WKFSBEXFBIBAIK-INIZCTEOSA-N 1 0 316.405 3.400 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCC[NH+]1CCCC1 ZINC000729296734 575233543 /nfs/dbraw/zinc/23/35/43/575233543.db2.gz CHPGJGNPBPQEMV-UHFFFAOYSA-N 1 0 319.405 3.416 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000746045548 575428232 /nfs/dbraw/zinc/42/82/32/575428232.db2.gz NWXXUAJUNSHSLU-QFYYESIMSA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000746048894 575428966 /nfs/dbraw/zinc/42/89/66/575428966.db2.gz LPKSVQVVIOWSAA-MEDUHNTESA-N 1 0 304.321 3.118 20 5 DGBDRO CC(C)[NH+](CCCNc1ccc([N+](=O)[O-])c2nonc21)C(C)C ZINC000746390636 575449635 /nfs/dbraw/zinc/44/96/35/575449635.db2.gz AJODHGUHEMWHAD-UHFFFAOYSA-N 1 0 321.381 3.052 20 5 DGBDRO CC[NH+](CC)CC1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000747208445 575506243 /nfs/dbraw/zinc/50/62/43/575506243.db2.gz WLZWCDWCOQJHHW-UHFFFAOYSA-N 1 0 305.422 3.461 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000749661729 575671176 /nfs/dbraw/zinc/67/11/76/575671176.db2.gz IWYNLNISYCVNIV-ZBFHGGJFSA-N 1 0 318.398 3.431 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000749646875 575671219 /nfs/dbraw/zinc/67/12/19/575671219.db2.gz MTFHYSVKPHDWTO-MRXNPFEDSA-N 1 0 320.776 3.114 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000852650987 620637526 /nfs/dbraw/zinc/63/75/26/620637526.db2.gz XCZBPAGSDXHVOP-OJSNXCTFSA-N 1 0 310.369 3.135 20 5 DGBDRO COc1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000917053120 620653555 /nfs/dbraw/zinc/65/35/55/620653555.db2.gz LXFOCGPLTLZEHM-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO CCCC[N@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](C)CC ZINC000917436298 620668676 /nfs/dbraw/zinc/66/86/76/620668676.db2.gz AJBSHHRLAGQRRK-LBPRGKRZSA-N 1 0 321.377 3.361 20 5 DGBDRO O=[N+]([O-])c1ccc(OCc2cccc3c2CC[NH2+]C3)c(F)c1F ZINC000853135942 620672891 /nfs/dbraw/zinc/67/28/91/620672891.db2.gz NSIYECUQEKIMCK-UHFFFAOYSA-N 1 0 320.295 3.098 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000853246120 620681767 /nfs/dbraw/zinc/68/17/67/620681767.db2.gz SSEZWTAHZPGXPE-GFCCVEGCSA-N 1 0 313.348 3.499 20 5 DGBDRO Cc1nn(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000853554898 620709589 /nfs/dbraw/zinc/70/95/89/620709589.db2.gz PFPSVILQFAEXOM-OAHLLOKOSA-N 1 0 306.410 3.268 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000853748017 620732634 /nfs/dbraw/zinc/73/26/34/620732634.db2.gz GISPYHRHYGNAEP-ZDUSSCGKSA-N 1 0 305.378 3.082 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000853748655 620733219 /nfs/dbraw/zinc/73/32/19/620733219.db2.gz PVIFGGSBFINPNY-ZDUSSCGKSA-N 1 0 305.378 3.082 20 5 DGBDRO Cc1nn(C[N@@H+](C)[C@H](C)C2(C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121249581 617604742 /nfs/dbraw/zinc/60/47/42/617604742.db2.gz DZIRSHFCVASHCH-GFCCVEGCSA-N 1 0 302.378 3.331 20 5 DGBDRO Cc1cc(NCC2SCCS2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000853941081 620755240 /nfs/dbraw/zinc/75/52/40/620755240.db2.gz YWEGAZKJFNIVQM-UHFFFAOYSA-N 1 0 321.427 3.091 20 5 DGBDRO C[C@@H](OC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1[N+](=O)[O-] ZINC000892608742 618118266 /nfs/dbraw/zinc/11/82/66/618118266.db2.gz IGTHLFQSVBGYMD-CYBMUJFWSA-N 1 0 318.373 3.075 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854227521 620786661 /nfs/dbraw/zinc/78/66/61/620786661.db2.gz UWBJWEMJRLENOR-MGPLVRAMSA-N 1 0 312.373 3.097 20 5 DGBDRO CC1(C)COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000894580197 618392179 /nfs/dbraw/zinc/39/21/79/618392179.db2.gz QRKNOSUJIDJEAV-GFCCVEGCSA-N 1 0 318.295 3.128 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCC[C@H]2CCCO)c1 ZINC000925640061 618517426 /nfs/dbraw/zinc/51/74/26/618517426.db2.gz FTSRDQBCYSDQLN-RDJZCZTQSA-N 1 0 306.406 3.058 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCc1nccs1 ZINC000893352327 618527070 /nfs/dbraw/zinc/52/70/70/618527070.db2.gz IEWWSCKWOZIBPF-UHFFFAOYSA-N 1 0 311.794 3.427 20 5 DGBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000777008264 618532690 /nfs/dbraw/zinc/53/26/90/618532690.db2.gz FSWXSYYGEIOXAE-CABZTGNLSA-N 1 0 306.284 3.131 20 5 DGBDRO CCn1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(C)n1 ZINC000893399802 618545093 /nfs/dbraw/zinc/54/50/93/618545093.db2.gz ANKCMGZRPUAUGX-UHFFFAOYSA-N 1 0 322.796 3.105 20 5 DGBDRO CCOC(CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])OCC ZINC000893944212 618680240 /nfs/dbraw/zinc/68/02/40/618680240.db2.gz KCLXJJDHVALIGG-UHFFFAOYSA-N 1 0 316.785 3.127 20 5 DGBDRO CCC(O)(CC)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893950128 618682568 /nfs/dbraw/zinc/68/25/68/618682568.db2.gz ATNJEDFBOSNQTB-UHFFFAOYSA-N 1 0 300.786 3.279 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnn1C1CCC1 ZINC000894270932 618747811 /nfs/dbraw/zinc/74/78/11/618747811.db2.gz BRQVJYRDUCTEDJ-UHFFFAOYSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000895783855 618830606 /nfs/dbraw/zinc/83/06/06/618830606.db2.gz CUMIBCCTYGKUDG-VCDKRKBESA-N 1 0 301.346 3.118 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2C[C@@]2(C)Br)cc1[N+](=O)[O-] ZINC000895833826 618839579 /nfs/dbraw/zinc/83/95/79/618839579.db2.gz PUGBRZWCGFDPJE-DGCLKSJQSA-N 1 0 313.195 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1Cl ZINC000895845736 618840753 /nfs/dbraw/zinc/84/07/53/618840753.db2.gz IDXYQPULVJVJDI-IUODEOHRSA-N 1 0 310.781 3.249 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1C[C@@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000895942640 618852988 /nfs/dbraw/zinc/85/29/88/618852988.db2.gz JHZZEKNARBELHL-GIPNMCIBSA-N 1 0 313.195 3.419 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CCC2(COC2)CC1 ZINC000896031728 618863604 /nfs/dbraw/zinc/86/36/04/618863604.db2.gz UHGYQASZHDYSSE-UHFFFAOYSA-N 1 0 310.781 3.297 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@]1(C)Br)c1ccc([N+](=O)[O-])cc1 ZINC000896510410 618919453 /nfs/dbraw/zinc/91/94/53/618919453.db2.gz OQQQDSKWIRHCOQ-CDMKHQONSA-N 1 0 313.195 3.419 20 5 DGBDRO Cc1ccc(NCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)nc1 ZINC000897181475 619025951 /nfs/dbraw/zinc/02/59/51/619025951.db2.gz CLHFCWSJNKSRCM-UHFFFAOYSA-N 1 0 320.780 3.153 20 5 DGBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000909620748 619064503 /nfs/dbraw/zinc/06/45/03/619064503.db2.gz KGPKWWAMPVSGCU-UHFFFAOYSA-N 1 0 319.386 3.279 20 5 DGBDRO Cc1nn(C)c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1Cl ZINC000897459122 619129907 /nfs/dbraw/zinc/12/99/07/619129907.db2.gz HRRXKFLUZDKDIZ-JTQLQIEISA-N 1 0 322.796 3.183 20 5 DGBDRO C[C@H](C[NH2+]Cc1cccc(F)c1N)c1ccccc1[N+](=O)[O-] ZINC000897460547 619130252 /nfs/dbraw/zinc/13/02/52/619130252.db2.gz HZYYEHPXLWJXMA-LLVKDONJSA-N 1 0 303.337 3.209 20 5 DGBDRO CC(C)c1nnc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897459621 619130254 /nfs/dbraw/zinc/13/02/54/619130254.db2.gz NJTZSWPOHCBZEM-LLVKDONJSA-N 1 0 320.418 3.463 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](c1nccn1C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897459346 619130345 /nfs/dbraw/zinc/13/03/45/619130345.db2.gz KVSLRSWKGFRBAO-BLLLJJGKSA-N 1 0 314.389 3.173 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897464605 619130561 /nfs/dbraw/zinc/13/05/61/619130561.db2.gz MVDPOOILLOIEJS-KGLIPLIRSA-N 1 0 304.390 3.390 20 5 DGBDRO C[C@H](C[NH2+]Cc1c(F)ccc(O)c1F)c1ccccc1[N+](=O)[O-] ZINC000897463479 619130564 /nfs/dbraw/zinc/13/05/64/619130564.db2.gz GSYGFLUFARZCNZ-SNVBAGLBSA-N 1 0 322.311 3.472 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897464606 619130583 /nfs/dbraw/zinc/13/05/83/619130583.db2.gz MVDPOOILLOIEJS-UONOGXRCSA-N 1 0 304.390 3.390 20 5 DGBDRO C[C@H](C[NH2+]Cc1c(C2CC2)cnn1C)c1ccccc1[N+](=O)[O-] ZINC000897461864 619130699 /nfs/dbraw/zinc/13/06/99/619130699.db2.gz ZJNNXGMZFQTXAM-GFCCVEGCSA-N 1 0 314.389 3.099 20 5 DGBDRO COCc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897465873 619130701 /nfs/dbraw/zinc/13/07/01/619130701.db2.gz JVLBBLJTZNILDE-LBPRGKRZSA-N 1 0 304.346 3.228 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cnc(C2CC2)nc1)c1ccccc1[N+](=O)[O-] ZINC000897463262 619130707 /nfs/dbraw/zinc/13/07/07/619130707.db2.gz DKUHCKILADZTSH-LBPRGKRZSA-N 1 0 312.373 3.156 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c(Cl)c1 ZINC000897507333 619140800 /nfs/dbraw/zinc/14/08/00/619140800.db2.gz BEMAPLGIYZMAEQ-UKRRQHHQSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000897510844 619142335 /nfs/dbraw/zinc/14/23/35/619142335.db2.gz BPGOXESEFAVUAY-VFYPNZCPSA-N 1 0 302.374 3.155 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897780397 619181829 /nfs/dbraw/zinc/18/18/29/619181829.db2.gz GIQSETRCIUFTRE-RFSCMCKOSA-N 1 0 320.389 3.041 20 5 DGBDRO CCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000897978101 619202506 /nfs/dbraw/zinc/20/25/06/619202506.db2.gz MBAUUXCAGJQWCG-SJORKVTESA-N 1 0 320.389 3.069 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898169047 619220168 /nfs/dbraw/zinc/22/01/68/619220168.db2.gz YIDJEOZMPFJIOV-UHFFFAOYSA-N 1 0 320.776 3.073 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000898386366 619270084 /nfs/dbraw/zinc/27/00/84/619270084.db2.gz KAHIWFZWRZNAGG-JKSUJKDBSA-N 1 0 304.390 3.233 20 5 DGBDRO CC[NH+](CC)CCCCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000900690062 619445507 /nfs/dbraw/zinc/44/55/07/619445507.db2.gz YBCKBKVLSSBBBQ-UHFFFAOYSA-N 1 0 321.421 3.063 20 5 DGBDRO C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000901643271 619527213 /nfs/dbraw/zinc/52/72/13/619527213.db2.gz SRLLLCFPVVVOGN-ZDUSSCGKSA-N 1 0 314.389 3.442 20 5 DGBDRO C[C@H]([NH2+]CCOC1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000901705338 619532423 /nfs/dbraw/zinc/53/24/23/619532423.db2.gz BHWOXQCGWMPYIG-LBPRGKRZSA-N 1 0 310.419 3.158 20 5 DGBDRO C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000901685441 619533534 /nfs/dbraw/zinc/53/35/34/619533534.db2.gz PBBGPROOLYFPOF-DUVNUKRYSA-N 1 0 302.374 3.205 20 5 DGBDRO C[C@@H]([NH2+]CCCON)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000902420934 619633334 /nfs/dbraw/zinc/63/33/34/619633334.db2.gz MISYNKLAYFHCOZ-LLVKDONJSA-N 1 0 321.402 3.254 20 5 DGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903103817 619717176 /nfs/dbraw/zinc/71/71/76/619717176.db2.gz AIGRCWJYWXUUCY-YRGRVCCFSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H](C)c2ccncc2)cc([N+](=O)[O-])c1 ZINC000903107593 619718058 /nfs/dbraw/zinc/71/80/58/619718058.db2.gz YOPRGLFHDGZBPD-QWHCGFSZSA-N 1 0 315.373 3.453 20 5 DGBDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903094546 619719174 /nfs/dbraw/zinc/71/91/74/619719174.db2.gz ZZMKMAHCXUFAED-BDJLRTHQSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)cc([N+](=O)[O-])c1 ZINC000903125664 619722107 /nfs/dbraw/zinc/72/21/07/619722107.db2.gz NFDOCVUHKHWKMK-TZMCWYRMSA-N 1 0 320.389 3.356 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](CO)CC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903126677 619722459 /nfs/dbraw/zinc/72/24/59/619722459.db2.gz UGEOHGJNNBQMEP-YPMHNXCESA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903148027 619728901 /nfs/dbraw/zinc/72/89/01/619728901.db2.gz PDAATQYLPAEPCT-HZSPNIEDSA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1 ZINC000903181913 619731685 /nfs/dbraw/zinc/73/16/85/619731685.db2.gz YFCHYUCOFPIPAP-ZWKOPEQDSA-N 1 0 318.295 3.355 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCN2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903196318 619734429 /nfs/dbraw/zinc/73/44/29/619734429.db2.gz MIXTZBCWUGQSNE-GXTWGEPZSA-N 1 0 321.421 3.127 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC(C)(C)CO2)cc([N+](=O)[O-])c1 ZINC000903216966 619740150 /nfs/dbraw/zinc/74/01/50/619740150.db2.gz LUJMYYJJBUKKSR-NHYWBVRUSA-N 1 0 308.378 3.069 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)c1cc2n(n1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000903244728 619743367 /nfs/dbraw/zinc/74/33/67/619743367.db2.gz CDJVDHWIVSYHMW-STQMWFEESA-N 1 0 314.389 3.192 20 5 DGBDRO C[C@@H](C[NH2+][C@H](C1CC1)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000903244863 619743448 /nfs/dbraw/zinc/74/34/48/619743448.db2.gz FSIVODWTOHHAPN-SCLBCKFNSA-N 1 0 318.417 3.493 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCCc2cn[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000903246162 619743595 /nfs/dbraw/zinc/74/35/95/619743595.db2.gz RQFJWNFEJKRNQN-SMDDNHRTSA-N 1 0 300.362 3.089 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCOC12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000903245809 619743630 /nfs/dbraw/zinc/74/36/30/619743630.db2.gz JGQIHAXQCDREMG-CJNGLKHVSA-N 1 0 304.390 3.390 20 5 DGBDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244943 619743681 /nfs/dbraw/zinc/74/36/81/619743681.db2.gz GUQOPJKDQZQRLE-BMFZPTHFSA-N 1 0 306.406 3.349 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCOC12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000903245810 619743702 /nfs/dbraw/zinc/74/37/02/619743702.db2.gz JGQIHAXQCDREMG-CZUORRHYSA-N 1 0 304.390 3.390 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCCc2nn(C)cc21)c1ccccc1[N+](=O)[O-] ZINC000903245008 619743741 /nfs/dbraw/zinc/74/37/41/619743741.db2.gz IAFGFSDMOPSMAG-SWLSCSKDSA-N 1 0 314.389 3.099 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000903253773 619745197 /nfs/dbraw/zinc/74/51/97/619745197.db2.gz RJKDUSHTMMKEFM-SGIREYDYSA-N 1 0 320.389 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903262298 619747430 /nfs/dbraw/zinc/74/74/30/619747430.db2.gz CMHRBFXNLOEESV-IGCXYCKISA-N 1 0 324.396 3.196 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903287009 619754408 /nfs/dbraw/zinc/75/44/08/619754408.db2.gz LUMSDQZODZFUCD-OLZOCXBDSA-N 1 0 300.358 3.499 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC(CCO)C1 ZINC000903329460 619762152 /nfs/dbraw/zinc/76/21/52/619762152.db2.gz MHDMAZHZTWVEIW-MOKVOYLWSA-N 1 0 324.446 3.216 20 5 DGBDRO CC[C@H]([NH2+]C[C@@]1(OC(C)C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000903359598 619765227 /nfs/dbraw/zinc/76/52/27/619765227.db2.gz DQIQOKWSADWMND-IRXDYDNUSA-N 1 0 322.405 3.220 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC000903361085 619765583 /nfs/dbraw/zinc/76/55/83/619765583.db2.gz PGTXJBSXSPWZHO-WMLDXEAASA-N 1 0 322.405 3.138 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000903442764 619777296 /nfs/dbraw/zinc/77/72/96/619777296.db2.gz TYFCXPJPBGYJKK-LGFNAOKASA-N 1 0 316.332 3.043 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000903450033 619778518 /nfs/dbraw/zinc/77/85/18/619778518.db2.gz DDDUGDGCCBRIEJ-MJBXVCDLSA-N 1 0 320.389 3.286 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000903451383 619778932 /nfs/dbraw/zinc/77/89/32/619778932.db2.gz URWWXPPQFHXAGY-MJBXVCDLSA-N 1 0 320.389 3.286 20 5 DGBDRO C[NH2+][C@@H](CC(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000904092827 619877774 /nfs/dbraw/zinc/87/77/74/619877774.db2.gz AFZHTANSBSBNJC-ZDUSSCGKSA-N 1 0 304.350 3.260 20 5 DGBDRO CC(C)(CCc1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)n1)[N+](=O)[O-] ZINC000904121375 619880391 /nfs/dbraw/zinc/88/03/91/619880391.db2.gz PDIGXYVMXJQKBF-AVGNSLFASA-N 1 0 322.409 3.041 20 5 DGBDRO Cc1ccc(-c2ccc([C@@]3(O)CCC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC000904804598 619952898 /nfs/dbraw/zinc/95/28/98/619952898.db2.gz CPDLRKZBDNMGHU-GOSISDBHSA-N 1 0 312.369 3.141 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCSC3(CCC3)C2)c1 ZINC000905600274 620008567 /nfs/dbraw/zinc/00/85/67/620008567.db2.gz JCKPKBQDYXDWHU-UKRRQHHQSA-N 1 0 322.430 3.036 20 5 DGBDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000905740599 620025049 /nfs/dbraw/zinc/02/50/49/620025049.db2.gz LAMQMCPHEFCORL-UKRRQHHQSA-N 1 0 300.362 3.017 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000841087103 620230543 /nfs/dbraw/zinc/23/05/43/620230543.db2.gz MQDLIOPHRHYGJP-ZFWWWQNUSA-N 1 0 323.824 3.212 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000852566744 620630423 /nfs/dbraw/zinc/63/04/23/620630423.db2.gz ONCUNUUGEXFMFT-YOEHRIQHSA-N 1 0 311.385 3.491 20 5 DGBDRO CC(C)(C)c1coc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000921686368 620933635 /nfs/dbraw/zinc/93/36/35/620933635.db2.gz IXYKSEIDWWNMCM-UHFFFAOYSA-N 1 0 303.362 3.213 20 5 DGBDRO CC[C@H]([NH2+]Cc1cnn(CCF)c1)c1cccc([N+](=O)[O-])c1 ZINC000921819093 620955431 /nfs/dbraw/zinc/95/54/31/620955431.db2.gz VRBUGCNZAVKUJE-HNNXBMFYSA-N 1 0 306.341 3.002 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)c1 ZINC000921940556 620971025 /nfs/dbraw/zinc/97/10/25/620971025.db2.gz UQDGHURGCZCGRP-UHFFFAOYSA-N 1 0 320.780 3.181 20 5 DGBDRO C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000922151003 620995963 /nfs/dbraw/zinc/99/59/63/620995963.db2.gz WZGFUMFZELZXIF-LBPRGKRZSA-N 1 0 300.362 3.367 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922460790 621040763 /nfs/dbraw/zinc/04/07/63/621040763.db2.gz JTMIKRFTTOISBD-YPMHNXCESA-N 1 0 318.295 3.103 20 5 DGBDRO C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000922542685 621053925 /nfs/dbraw/zinc/05/39/25/621053925.db2.gz WZGFUMFZELZXIF-GFCCVEGCSA-N 1 0 300.362 3.367 20 5 DGBDRO Cc1c(C[NH2+]C[C@](C)(O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000922562781 621056433 /nfs/dbraw/zinc/05/64/33/621056433.db2.gz SCOXNXGALJHUPU-KRWDZBQOSA-N 1 0 318.348 3.040 20 5 DGBDRO Cc1cc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)nn1C ZINC000922690113 621081743 /nfs/dbraw/zinc/08/17/43/621081743.db2.gz SDWLLEADERDXCR-UHFFFAOYSA-N 1 0 316.405 3.092 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000922841855 621107006 /nfs/dbraw/zinc/10/70/06/621107006.db2.gz JNNVPAPMJZRUTG-WCQYABFASA-N 1 0 310.419 3.367 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cc(C2CC2)nn1C ZINC000922946617 621135416 /nfs/dbraw/zinc/13/54/16/621135416.db2.gz BLMYTSFDSYWPLQ-UHFFFAOYSA-N 1 0 314.389 3.112 20 5 DGBDRO CC[N@H+](CCNc1ccc2cnccc2c1[N+](=O)[O-])C(C)C ZINC000858384579 621184265 /nfs/dbraw/zinc/18/42/65/621184265.db2.gz BTNKRDMILQLUHX-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000858477735 621196245 /nfs/dbraw/zinc/19/62/45/621196245.db2.gz XQZOFWSQIFGTSI-ZBFHGGJFSA-N 1 0 318.373 3.287 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839462606 621372445 /nfs/dbraw/zinc/37/24/45/621372445.db2.gz NTYXAHABMOMUSE-SNVBAGLBSA-N 1 0 313.785 3.307 20 5 DGBDRO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCC1 ZINC000839496390 621380585 /nfs/dbraw/zinc/38/05/85/621380585.db2.gz HAGRDRIQDFHKNF-UHFFFAOYSA-N 1 0 311.769 3.061 20 5 DGBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000753849978 621468678 /nfs/dbraw/zinc/46/86/78/621468678.db2.gz GQOXVSZTXZWQSD-QWRGUYRKSA-N 1 0 302.334 3.018 20 5 DGBDRO Cc1nn(C[N@@H+]2CCS[C@@H](C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000754872596 621538715 /nfs/dbraw/zinc/53/87/15/621538715.db2.gz NHEBABVELWYCAG-NSHDSACASA-N 1 0 320.418 3.038 20 5 DGBDRO CC[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000119457018 621673974 /nfs/dbraw/zinc/67/39/74/621673974.db2.gz VHSLCVKQGDWEEM-CYBMUJFWSA-N 1 0 300.362 3.148 20 5 DGBDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863584105 621685614 /nfs/dbraw/zinc/68/56/14/621685614.db2.gz POKVLXAQZOYUHL-KSZLIROESA-N 1 0 312.369 3.082 20 5 DGBDRO CN(C)c1cccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000757162796 621691010 /nfs/dbraw/zinc/69/10/10/621691010.db2.gz KXRIAOPPTZDREL-UHFFFAOYSA-N 1 0 311.385 3.219 20 5 DGBDRO C[C@@H]([NH3+])CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000863652018 621693826 /nfs/dbraw/zinc/69/38/26/621693826.db2.gz OYGNFWXGFTWEBV-SNVBAGLBSA-N 1 0 323.780 3.287 20 5 DGBDRO C[C@H]1CC(C)(C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839658699 621704689 /nfs/dbraw/zinc/70/46/89/621704689.db2.gz RDLMPYCALSNHCC-NSHDSACASA-N 1 0 323.368 3.183 20 5 DGBDRO CC[N@@H+](Cc1occc1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839664008 621705988 /nfs/dbraw/zinc/70/59/88/621705988.db2.gz WOWCHUKSTOPJMB-OAHLLOKOSA-N 1 0 304.346 3.052 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000839680958 621711891 /nfs/dbraw/zinc/71/18/91/621711891.db2.gz POUXIGYVKQQSKK-GFCCVEGCSA-N 1 0 305.334 3.125 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000757864952 621743924 /nfs/dbraw/zinc/74/39/24/621743924.db2.gz CVCOMRCSUYQZDW-KFWWJZLASA-N 1 0 324.471 3.372 20 5 DGBDRO Cc1ccc(C)c(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000759629383 621877178 /nfs/dbraw/zinc/87/71/78/621877178.db2.gz BDPGBKWLNUOORA-SFHVURJKSA-N 1 0 314.385 3.377 20 5 DGBDRO CCC(CC)(CO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000120505254 621898204 /nfs/dbraw/zinc/89/82/04/621898204.db2.gz OCXXFIPCQSZIFR-UHFFFAOYSA-N 1 0 300.786 3.137 20 5 DGBDRO C[NH+](C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865489143 621934373 /nfs/dbraw/zinc/93/43/73/621934373.db2.gz VYDZTSCNVYKMHW-LLVKDONJSA-N 1 0 313.348 3.310 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)c(C(F)F)c1 ZINC000865537293 621945768 /nfs/dbraw/zinc/94/57/68/621945768.db2.gz GFNGGVHQBASDLG-UHFFFAOYSA-N 1 0 311.332 3.207 20 5 DGBDRO C[C@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000865580842 621956219 /nfs/dbraw/zinc/95/62/19/621956219.db2.gz FRTINRTURBSVST-ZDUSSCGKSA-N 1 0 314.389 3.442 20 5 DGBDRO COCCc1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000865581309 621956282 /nfs/dbraw/zinc/95/62/82/621956282.db2.gz MEUNFCPMESUFED-NSHDSACASA-N 1 0 321.402 3.091 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2cc(F)ccc2N(C)C)cc1[N+](=O)[O-] ZINC000865787910 621996009 /nfs/dbraw/zinc/99/60/09/621996009.db2.gz VIERDOKHMKMYQF-UHFFFAOYSA-N 1 0 317.364 3.398 20 5 DGBDRO COc1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000865857876 622009915 /nfs/dbraw/zinc/00/99/15/622009915.db2.gz ZBHXZBRJVOLZQW-INIZCTEOSA-N 1 0 320.389 3.185 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865874872 622013536 /nfs/dbraw/zinc/01/35/36/622013536.db2.gz KLLAUKBLHAENJV-VWTAQGJOSA-N 1 0 304.390 3.139 20 5 DGBDRO Cc1cccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866239897 622074098 /nfs/dbraw/zinc/07/40/98/622074098.db2.gz VYVHAVZRLRKCFL-GFCCVEGCSA-N 1 0 303.337 3.158 20 5 DGBDRO CC(C)n1ccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866268922 622080748 /nfs/dbraw/zinc/08/07/48/622080748.db2.gz KZKRTQVKFAWYBT-LBPRGKRZSA-N 1 0 320.368 3.232 20 5 DGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866274187 622082413 /nfs/dbraw/zinc/08/24/13/622082413.db2.gz XKOISHGRVKGBIN-NWDGAFQWSA-N 1 0 312.385 3.458 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866275658 622082884 /nfs/dbraw/zinc/08/28/84/622082884.db2.gz OKZJZNHOJCRIDL-OLZOCXBDSA-N 1 0 312.385 3.053 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866275662 622083091 /nfs/dbraw/zinc/08/30/91/622083091.db2.gz OKZJZNHOJCRIDL-STQMWFEESA-N 1 0 312.385 3.053 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000866289780 622086225 /nfs/dbraw/zinc/08/62/25/622086225.db2.gz LHGLPULOPBTIGI-PVUWLOKVSA-N 1 0 324.396 3.458 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000866335987 622096293 /nfs/dbraw/zinc/09/62/93/622096293.db2.gz GQTGLXNBSDSKHJ-BZPMIXESSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCCO1 ZINC000866338075 622096817 /nfs/dbraw/zinc/09/68/17/622096817.db2.gz WVXXTKXUVFBAEG-DOMZBBRYSA-N 1 0 310.369 3.214 20 5 DGBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000866348425 622099461 /nfs/dbraw/zinc/09/94/61/622099461.db2.gz RMYBADJRRQTAIT-ABAIWWIYSA-N 1 0 312.385 3.050 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCSC1 ZINC000866355974 622101905 /nfs/dbraw/zinc/10/19/05/622101905.db2.gz HSZOKXBFRMZHNV-NWDGAFQWSA-N 1 0 312.410 3.398 20 5 DGBDRO COC1(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866362522 622102867 /nfs/dbraw/zinc/10/28/67/622102867.db2.gz FIXHUOLUTVYGHU-GFCCVEGCSA-N 1 0 310.369 3.214 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000866367951 622104768 /nfs/dbraw/zinc/10/47/68/622104768.db2.gz RUPLOPCYRWBNRQ-JTNHKYCSSA-N 1 0 318.352 3.157 20 5 DGBDRO Cc1ccc(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])nc1 ZINC000866369883 622104993 /nfs/dbraw/zinc/10/49/93/622104993.db2.gz QBMFVPRQKZEUHY-CYBMUJFWSA-N 1 0 317.364 3.201 20 5 DGBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866369179 622105023 /nfs/dbraw/zinc/10/50/23/622105023.db2.gz BIZQCANJCHIISN-GDLVEWKHSA-N 1 0 310.369 3.068 20 5 DGBDRO Cc1cc(C)c(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000866370570 622105092 /nfs/dbraw/zinc/10/50/92/622105092.db2.gz YERUWFQWLIWJEI-CYBMUJFWSA-N 1 0 317.364 3.467 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])nc1C ZINC000866370876 622105242 /nfs/dbraw/zinc/10/52/42/622105242.db2.gz BCMJOEWXMSKRFW-LBPRGKRZSA-N 1 0 317.364 3.467 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000866386139 622108117 /nfs/dbraw/zinc/10/81/17/622108117.db2.gz XSABJEQAZVDLPV-WFASDCNBSA-N 1 0 323.412 3.127 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000866385734 622108169 /nfs/dbraw/zinc/10/81/69/622108169.db2.gz PXQCPOGKYDACFH-WFASDCNBSA-N 1 0 323.412 3.127 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CCCOC1 ZINC000866396098 622110767 /nfs/dbraw/zinc/11/07/67/622110767.db2.gz MPLYHYZTLLJHHD-QWHCGFSZSA-N 1 0 310.369 3.071 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000866397636 622110819 /nfs/dbraw/zinc/11/08/19/622110819.db2.gz JIEBOFSVKBWYPN-ZOUHWKOYSA-N 1 0 310.369 3.066 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H]1CCSC1 ZINC000866402577 622112128 /nfs/dbraw/zinc/11/21/28/622112128.db2.gz KTRVZPOGJIEXMN-NEPJUHHUSA-N 1 0 310.419 3.397 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866448201 622120430 /nfs/dbraw/zinc/12/04/30/622120430.db2.gz BHCGYXZVNYCMQK-TUKIKUTGSA-N 1 0 323.368 3.182 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000866501741 622128435 /nfs/dbraw/zinc/12/84/35/622128435.db2.gz WMFJBAXIMATPFD-AVPPRXQKSA-N 1 0 306.259 3.205 20 5 DGBDRO CN1Cc2ccccc2[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000866563931 622139489 /nfs/dbraw/zinc/13/94/89/622139489.db2.gz QFPHAWFZNZUGFR-HKUYNNGSSA-N 1 0 323.396 3.358 20 5 DGBDRO CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000866563933 622139574 /nfs/dbraw/zinc/13/95/74/622139574.db2.gz QFPHAWFZNZUGFR-MJGOQNOKSA-N 1 0 323.396 3.358 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C1CCCC1 ZINC000866638015 622151823 /nfs/dbraw/zinc/15/18/23/622151823.db2.gz CGEKZTVQCGNOQX-SJKOYZFVSA-N 1 0 324.396 3.196 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@H](O)C1CCCC1 ZINC000866638344 622152363 /nfs/dbraw/zinc/15/23/63/622152363.db2.gz GCJAQEVXMZEDSK-WBVHZDCISA-N 1 0 304.390 3.113 20 5 DGBDRO Cc1nn(C[N@H+]2CCC[C@@H]2C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764914628 622232464 /nfs/dbraw/zinc/23/24/64/622232464.db2.gz IVXVIXCXFFDUJZ-OAHLLOKOSA-N 1 0 302.378 3.331 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000765253072 622253793 /nfs/dbraw/zinc/25/37/93/622253793.db2.gz KXKFHSPRKJUYNE-DZGCQCFKSA-N 1 0 305.422 3.428 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1C ZINC000765635911 622278971 /nfs/dbraw/zinc/27/89/71/622278971.db2.gz NWLGHJAXZCKPJW-GHMZBOCLSA-N 1 0 320.418 3.123 20 5 DGBDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765850673 622291450 /nfs/dbraw/zinc/29/14/50/622291450.db2.gz ZCMDXNMXKMFRLS-KDOFPFPSSA-N 1 0 314.385 3.157 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1OCC[C@H]1CC[NH2+]C1 ZINC000122462269 622326859 /nfs/dbraw/zinc/32/68/59/622326859.db2.gz ZTRZTCNKRWLPRU-MRVPVSSYSA-N 1 0 305.161 3.280 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)ccc1Cl ZINC000122634048 622367729 /nfs/dbraw/zinc/36/77/29/622367729.db2.gz UHODADMBPFMYDB-AWEZNQCLSA-N 1 0 323.824 3.308 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)ccc1Cl ZINC000122634309 622367903 /nfs/dbraw/zinc/36/79/03/622367903.db2.gz UHODADMBPFMYDB-CQSZACIVSA-N 1 0 323.824 3.308 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000768105045 622438675 /nfs/dbraw/zinc/43/86/75/622438675.db2.gz YYOXUCNUDLWTFN-KBPBESRZSA-N 1 0 321.421 3.128 20 5 DGBDRO C/C(=C\C(=O)OCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000770409918 622630642 /nfs/dbraw/zinc/63/06/42/622630642.db2.gz AXGMIUPUQUKFSV-BUHFOSPRSA-N 1 0 318.373 3.027 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872018998 622755498 /nfs/dbraw/zinc/75/54/98/622755498.db2.gz RLGLKQVPUQANEJ-ZDUSSCGKSA-N 1 0 320.368 3.288 20 5 DGBDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872020905 622756259 /nfs/dbraw/zinc/75/62/59/622756259.db2.gz LAMJRXNRAGUBGC-NSHDSACASA-N 1 0 306.341 3.049 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C1CC1)[NH+](C)C ZINC000872025621 622758579 /nfs/dbraw/zinc/75/85/79/622758579.db2.gz QENHOPVRSHPAJT-ABAIWWIYSA-N 1 0 323.462 3.308 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)CC[NH+](C)C ZINC000872028935 622761982 /nfs/dbraw/zinc/76/19/82/622761982.db2.gz NPGPFRHLKULAST-NEPJUHHUSA-N 1 0 311.451 3.308 20 5 DGBDRO C[C@H]([NH2+]CCc1ccccc1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872032327 622763589 /nfs/dbraw/zinc/76/35/89/622763589.db2.gz ZTDPTPONVJOEEB-NSHDSACASA-N 1 0 304.321 3.333 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(O)ccc1F ZINC000872033954 622765035 /nfs/dbraw/zinc/76/50/35/622765035.db2.gz KOXVQXSZBWPQLG-LLVKDONJSA-N 1 0 304.321 3.333 20 5 DGBDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039151 622768300 /nfs/dbraw/zinc/76/83/00/622768300.db2.gz RAYKABSLVGAJRI-LBPRGKRZSA-N 1 0 320.368 3.370 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O ZINC000872039333 622768366 /nfs/dbraw/zinc/76/83/66/622768366.db2.gz SMRVQUQGYMZRIS-TUAOUCFPSA-N 1 0 312.435 3.374 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000872040046 622768784 /nfs/dbraw/zinc/76/87/84/622768784.db2.gz WLHBTXPZJSWRLH-SRVKXCTJSA-N 1 0 310.419 3.392 20 5 DGBDRO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042053 622770754 /nfs/dbraw/zinc/77/07/54/622770754.db2.gz YYBZWGIDDBBFLL-YNEHKIRRSA-N 1 0 309.385 3.257 20 5 DGBDRO CCC1(O)CCC([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872047450 622773589 /nfs/dbraw/zinc/77/35/89/622773589.db2.gz STFWKZFQJJLFCF-OPGSHWCFSA-N 1 0 310.369 3.468 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@H](C)CO ZINC000872051852 622777205 /nfs/dbraw/zinc/77/72/05/622777205.db2.gz NWMWQJXEJUUCHI-NWDGAFQWSA-N 1 0 312.435 3.376 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872054233 622779155 /nfs/dbraw/zinc/77/91/55/622779155.db2.gz RQMBAUDPWKXQRF-TZCMFKBTSA-N 1 0 320.364 3.342 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000872064889 622785831 /nfs/dbraw/zinc/78/58/31/622785831.db2.gz OQHDATPNFBJPHU-GMXVVIOVSA-N 1 0 310.419 3.128 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1CC(O)C1 ZINC000872066820 622786396 /nfs/dbraw/zinc/78/63/96/622786396.db2.gz RBBCQIATAGTZNN-XSRFYTQQSA-N 1 0 310.419 3.128 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000872066619 622786711 /nfs/dbraw/zinc/78/67/11/622786711.db2.gz OLZASYUKRKQBIH-UHIISALHSA-N 1 0 310.419 3.392 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C)C[NH+](C)C ZINC000872073121 622790068 /nfs/dbraw/zinc/79/00/68/622790068.db2.gz NCKCXTVHZVXVMK-NEPJUHHUSA-N 1 0 311.451 3.165 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)CCCO ZINC000872075102 622790932 /nfs/dbraw/zinc/79/09/32/622790932.db2.gz OBUPJPIXAYGUIJ-RYUDHWBXSA-N 1 0 312.435 3.376 20 5 DGBDRO CO[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872074571 622791340 /nfs/dbraw/zinc/79/13/40/622791340.db2.gz YJKZTEZQLCWRMF-YGRLFVJLSA-N 1 0 310.419 3.392 20 5 DGBDRO COCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872084156 622796350 /nfs/dbraw/zinc/79/63/50/622796350.db2.gz PRZGSXZLHVELLD-LLVKDONJSA-N 1 0 310.419 3.394 20 5 DGBDRO C[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086435 622797408 /nfs/dbraw/zinc/79/74/08/622797408.db2.gz WONNJYPHRJGPPC-VXGBXAGGSA-N 1 0 309.385 3.257 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872107650 622810016 /nfs/dbraw/zinc/81/00/16/622810016.db2.gz OAAONKBXJWSUHR-LMMLAZSQSA-N 1 0 302.374 3.129 20 5 DGBDRO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000872129805 622823751 /nfs/dbraw/zinc/82/37/51/622823751.db2.gz UVPUKLHWLHWOOU-ZDUSSCGKSA-N 1 0 303.406 3.120 20 5 DGBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc[nH]1 ZINC000773113263 622985807 /nfs/dbraw/zinc/98/58/07/622985807.db2.gz BHOKFGOBNOBPDU-CYBMUJFWSA-N 1 0 314.389 3.243 20 5 DGBDRO Cc1noc(C)c1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873074553 623031187 /nfs/dbraw/zinc/03/11/87/623031187.db2.gz NEXLEPUHGADOHD-UHFFFAOYSA-N 1 0 303.362 3.230 20 5 DGBDRO Cc1nc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)sc1C ZINC000873077603 623031953 /nfs/dbraw/zinc/03/19/53/623031953.db2.gz WEOOODLFUNDQJP-UHFFFAOYSA-N 1 0 305.403 3.309 20 5 DGBDRO Cc1c(C[NH2+]CCc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000873077581 623032088 /nfs/dbraw/zinc/03/20/88/623032088.db2.gz BIIOLQVEOBXFKR-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000873097893 623035815 /nfs/dbraw/zinc/03/58/15/623035815.db2.gz YJETVUZIANIHDF-IAQYHMDHSA-N 1 0 304.346 3.098 20 5 DGBDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873105314 623036776 /nfs/dbraw/zinc/03/67/76/623036776.db2.gz YZEYHTYOSLECKS-OAHLLOKOSA-N 1 0 318.373 3.234 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000873131920 623043774 /nfs/dbraw/zinc/04/37/74/623043774.db2.gz ZTPJLGNZKMBPLT-FUHWJXTLSA-N 1 0 318.417 3.098 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000873133705 623044775 /nfs/dbraw/zinc/04/47/75/623044775.db2.gz UHOOPAKRUHEVQH-NVXWUHKLSA-N 1 0 303.406 3.010 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000873133702 623045049 /nfs/dbraw/zinc/04/50/49/623045049.db2.gz UHOOPAKRUHEVQH-DOTOQJQBSA-N 1 0 303.406 3.010 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000873137288 623046494 /nfs/dbraw/zinc/04/64/94/623046494.db2.gz UIEKVCQYCCJZSE-SJLPKXTDSA-N 1 0 312.369 3.480 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2CCN2C2CCCC2)cccc1[N+](=O)[O-] ZINC000873148345 623050250 /nfs/dbraw/zinc/05/02/50/623050250.db2.gz LOTSQFURCOMBJR-INIZCTEOSA-N 1 0 303.406 3.010 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873157234 623055380 /nfs/dbraw/zinc/05/53/80/623055380.db2.gz URFUJDQLVBSEIA-DGFSRKRXSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873157237 623055638 /nfs/dbraw/zinc/05/56/38/623055638.db2.gz URFUJDQLVBSEIA-XEGUGMAKSA-N 1 0 310.781 3.295 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](O)c1ccccc1 ZINC000873193606 623069318 /nfs/dbraw/zinc/06/93/18/623069318.db2.gz MNKYKQHIGWMTIT-SJORKVTESA-N 1 0 318.348 3.336 20 5 DGBDRO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@H]3C3CC3)c2c(Cl)c1 ZINC000774628525 623168048 /nfs/dbraw/zinc/16/80/48/623168048.db2.gz XAZSNVXPYKQIRS-AWEZNQCLSA-N 1 0 320.780 3.430 20 5 DGBDRO CC[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CCC1 ZINC000774639404 623169541 /nfs/dbraw/zinc/16/95/41/623169541.db2.gz WDAKGCYHHQIUJD-UHFFFAOYSA-N 1 0 308.769 3.430 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+](CC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000774884375 623205342 /nfs/dbraw/zinc/20/53/42/623205342.db2.gz LDAHKEBPCHPREQ-UHFFFAOYSA-N 1 0 305.334 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000775385064 623263896 /nfs/dbraw/zinc/26/38/96/623263896.db2.gz ILYSYAIVCYROCE-ILXRZTDVSA-N 1 0 324.471 3.107 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000775870293 623344400 /nfs/dbraw/zinc/34/44/00/623344400.db2.gz CTDGQCOCIIKVER-GOSISDBHSA-N 1 0 324.380 3.176 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1Cl ZINC000776252950 623401956 /nfs/dbraw/zinc/40/19/56/623401956.db2.gz GUDCEMGYLFSLAO-NILFDRSVSA-N 1 0 322.792 3.295 20 5 DGBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000776276580 623405908 /nfs/dbraw/zinc/40/59/08/623405908.db2.gz NZYIOFZOVYIEHZ-ROUUACIJSA-N 1 0 312.369 3.248 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000776578162 623441848 /nfs/dbraw/zinc/44/18/48/623441848.db2.gz DRTIXCGBOQJWIQ-FUHWJXTLSA-N 1 0 312.369 3.118 20 5 DGBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000776578626 623442430 /nfs/dbraw/zinc/44/24/30/623442430.db2.gz HMNHXDWOFNGSAS-ACJLOTCBSA-N 1 0 312.369 3.248 20 5 DGBDRO CCS[C@@H]1CCCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581689 623443009 /nfs/dbraw/zinc/44/30/09/623443009.db2.gz HMDPKIXXXJPWFD-CVEARBPZSA-N 1 0 324.446 3.236 20 5 DGBDRO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588100 623444459 /nfs/dbraw/zinc/44/44/59/623444459.db2.gz KQMDSLLSTAVINM-XHSDSOJGSA-N 1 0 324.446 3.234 20 5 DGBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000777009919 623485716 /nfs/dbraw/zinc/48/57/16/623485716.db2.gz JMVMKVITTKZDFK-CABZTGNLSA-N 1 0 306.284 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2coc3ccccc23)cc1 ZINC000777446060 623527057 /nfs/dbraw/zinc/52/70/57/623527057.db2.gz SDBVYOYCNBKQDG-INIZCTEOSA-N 1 0 312.325 3.164 20 5 DGBDRO CC[N@H+](CC(C)C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777954078 623589744 /nfs/dbraw/zinc/58/97/44/623589744.db2.gz APGIBZMKALPAJM-UHFFFAOYSA-N 1 0 302.378 3.394 20 5 DGBDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000876682801 623681540 /nfs/dbraw/zinc/68/15/40/623681540.db2.gz OLTOZRDOWYHKGO-OAHLLOKOSA-N 1 0 314.389 3.098 20 5 DGBDRO CC(C)c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000126105593 623682283 /nfs/dbraw/zinc/68/22/83/623682283.db2.gz OXDKBPJSBFMZPW-UHFFFAOYSA-N 1 0 320.389 3.057 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000876739123 623693319 /nfs/dbraw/zinc/69/33/19/623693319.db2.gz DFBFEJABCQHLMG-UHFFFAOYSA-N 1 0 314.389 3.314 20 5 DGBDRO CCOC[C@@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876738326 623693450 /nfs/dbraw/zinc/69/34/50/623693450.db2.gz AXYPTSCQLVNPAF-OAHLLOKOSA-N 1 0 306.406 3.460 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)C2)c1 ZINC000876903689 623741135 /nfs/dbraw/zinc/74/11/35/623741135.db2.gz OOGWHXKQCBYZGE-QJUBBFGZSA-N 1 0 318.421 3.443 20 5 DGBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1F ZINC000876905184 623741301 /nfs/dbraw/zinc/74/13/01/623741301.db2.gz FDEYPDHQIFCXQK-OIKLOGQESA-N 1 0 322.315 3.124 20 5 DGBDRO CC(C)[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876907529 623742074 /nfs/dbraw/zinc/74/20/74/623742074.db2.gz FXEBRXPIKIKERU-VMBOVVBDSA-N 1 0 314.389 3.482 20 5 DGBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877021587 623768143 /nfs/dbraw/zinc/76/81/43/623768143.db2.gz VLWUSTGKJFEBIC-LMRVLLHPSA-N 1 0 306.410 3.299 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CC(c4ccccc4)C3)C2)c1 ZINC000877024791 623769213 /nfs/dbraw/zinc/76/92/13/623769213.db2.gz OKKDIDAHROUVKL-UHFFFAOYSA-N 1 0 312.373 3.031 20 5 DGBDRO C[C@H]1CCCC[C@H]1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877039735 623773826 /nfs/dbraw/zinc/77/38/26/623773826.db2.gz OTQNZUNJXYLJCS-HESLUPGFSA-N 1 0 306.410 3.301 20 5 DGBDRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877131235 623799636 /nfs/dbraw/zinc/79/96/36/623799636.db2.gz XNZUZVXEMGFPSH-SWLSCSKDSA-N 1 0 320.414 3.301 20 5 DGBDRO Cc1c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877553489 623939678 /nfs/dbraw/zinc/93/96/78/623939678.db2.gz TZCPHJIHBISIIV-QGZVFWFLSA-N 1 0 316.401 3.294 20 5 DGBDRO C[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000877565102 623945184 /nfs/dbraw/zinc/94/51/84/623945184.db2.gz SHFBNJWITYBKAV-LBPRGKRZSA-N 1 0 303.189 3.311 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CCC[C@H](C)C1 ZINC000877576024 623949315 /nfs/dbraw/zinc/94/93/15/623949315.db2.gz HOSLSQJHNTUHIR-MFTHNPBUSA-N 1 0 306.410 3.299 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CC2CCC1CC2 ZINC000877617448 623964165 /nfs/dbraw/zinc/96/41/65/623964165.db2.gz WKDZRMIOPQKFPP-YANHDZFCSA-N 1 0 318.421 3.299 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000877641860 623974732 /nfs/dbraw/zinc/97/47/32/623974732.db2.gz CJSXDSFKGIXSQV-KSSFIOAISA-N 1 0 314.385 3.423 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@]12C[C@@H]1CCCC2 ZINC000877686317 623992648 /nfs/dbraw/zinc/99/26/48/623992648.db2.gz NOQKEGBEJXNZAE-PQGQZWEESA-N 1 0 304.394 3.053 20 5 DGBDRO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC000878115363 624173826 /nfs/dbraw/zinc/17/38/26/624173826.db2.gz APIPLBZFEISJKE-UHFFFAOYSA-N 1 0 302.334 3.019 20 5 DGBDRO CC[C@]1(C)CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878188374 624206992 /nfs/dbraw/zinc/20/69/92/624206992.db2.gz OQLOSJHVXCLICP-MRXNPFEDSA-N 1 0 316.361 3.267 20 5 DGBDRO C[NH+](C)C1(CNc2nc3ccc([N+](=O)[O-])cc3s2)CCC1 ZINC000782391131 624247022 /nfs/dbraw/zinc/24/70/22/624247022.db2.gz JEOOPIRZCVNENV-UHFFFAOYSA-N 1 0 306.391 3.101 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000782530506 624260324 /nfs/dbraw/zinc/26/03/24/624260324.db2.gz HCUBFJDPTJZNEO-HNNXBMFYSA-N 1 0 324.739 3.211 20 5 DGBDRO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1csc2ccccc12 ZINC000878421354 624273937 /nfs/dbraw/zinc/27/39/37/624273937.db2.gz UUMFGYLXVKCJOP-SNVBAGLBSA-N 1 0 316.386 3.394 20 5 DGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878453335 624281660 /nfs/dbraw/zinc/28/16/60/624281660.db2.gz RTPKSECIVOQMCB-WCQYABFASA-N 1 0 316.361 3.265 20 5 DGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878475620 624286321 /nfs/dbraw/zinc/28/63/21/624286321.db2.gz QBJUOSVTORXJJO-ZDUSSCGKSA-N 1 0 316.361 3.313 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878565134 624309336 /nfs/dbraw/zinc/30/93/36/624309336.db2.gz FYEKHIXZDXFGKC-PVAVHDDUSA-N 1 0 304.390 3.027 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000878612599 624321924 /nfs/dbraw/zinc/32/19/24/624321924.db2.gz RNZHGJQPPCIHBA-CJNGLKHVSA-N 1 0 314.389 3.183 20 5 DGBDRO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000878679304 624338483 /nfs/dbraw/zinc/33/84/83/624338483.db2.gz YUJRGFIZSZHUMV-JLJPHGGASA-N 1 0 304.390 3.199 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1Cl ZINC000783572573 624368250 /nfs/dbraw/zinc/36/82/50/624368250.db2.gz KAZOKKYQQHIEMU-STQMWFEESA-N 1 0 310.781 3.107 20 5 DGBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783639975 624378113 /nfs/dbraw/zinc/37/81/13/624378113.db2.gz XBLGEBTYVGPERL-PWSUYJOCSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1nn(C[N@H+](C)C[C@H]2CC=CCC2)c2cc([N+](=O)[O-])ccc12 ZINC000784014681 624421387 /nfs/dbraw/zinc/42/13/87/624421387.db2.gz NJMYWWKPJAGQBR-AWEZNQCLSA-N 1 0 314.389 3.499 20 5 DGBDRO C[N@H+](C[C@@H]1CC=CCC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000784013714 624421487 /nfs/dbraw/zinc/42/14/87/624421487.db2.gz JEJMQTFRCWHCLY-CYBMUJFWSA-N 1 0 300.362 3.190 20 5 DGBDRO CC(C)(C)[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000784034513 624425934 /nfs/dbraw/zinc/42/59/34/624425934.db2.gz KRCGRJYARQDCFQ-CYBMUJFWSA-N 1 0 302.378 3.270 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)ccc1Cl ZINC000879418391 624540946 /nfs/dbraw/zinc/54/09/46/624540946.db2.gz HKSALSNBPQSKCT-XPKDYRNWSA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)ccc1Cl ZINC000879418386 624540962 /nfs/dbraw/zinc/54/09/62/624540962.db2.gz HKSALSNBPQSKCT-INWMFGNUSA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879738155 624658337 /nfs/dbraw/zinc/65/83/37/624658337.db2.gz OFQITNFQTHXKTL-OAHLLOKOSA-N 1 0 308.353 3.315 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000785608206 624698058 /nfs/dbraw/zinc/69/80/58/624698058.db2.gz FFMIJQONZFQRDL-OAHLLOKOSA-N 1 0 324.739 3.211 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000785608204 624698260 /nfs/dbraw/zinc/69/82/60/624698260.db2.gz FFMIJQONZFQRDL-HNNXBMFYSA-N 1 0 324.739 3.211 20 5 DGBDRO COC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880037282 624763034 /nfs/dbraw/zinc/76/30/34/624763034.db2.gz HZMOIKQPNJHEMM-KBPBESRZSA-N 1 0 320.389 3.321 20 5 DGBDRO COc1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000880315902 624912333 /nfs/dbraw/zinc/91/23/33/624912333.db2.gz AVRXSZVOPIQSOT-LBPRGKRZSA-N 1 0 319.386 3.049 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316780 624914524 /nfs/dbraw/zinc/91/45/24/624914524.db2.gz LAPMGZDCTLBTAP-SNVBAGLBSA-N 1 0 307.350 3.180 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880323917 624917911 /nfs/dbraw/zinc/91/79/11/624917911.db2.gz WXTLEHJCVNVXAH-NSHDSACASA-N 1 0 307.350 3.180 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])CC(C)C ZINC000786579707 624925264 /nfs/dbraw/zinc/92/52/64/624925264.db2.gz CVUOANDQQHENAI-CQSZACIVSA-N 1 0 308.426 3.345 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)N1CCCCC1 ZINC000786811704 624955508 /nfs/dbraw/zinc/95/55/08/624955508.db2.gz LEPBZNFRMGYHLA-QZFKAFNDSA-N 1 0 317.433 3.462 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C)([NH+]2CCC2)CC1 ZINC000880472864 624964141 /nfs/dbraw/zinc/96/41/41/624964141.db2.gz GUSOKLIZBXDLNW-AWEZNQCLSA-N 1 0 303.406 3.216 20 5 DGBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000805839437 625013525 /nfs/dbraw/zinc/01/35/25/625013525.db2.gz JOXLKGVLKLCUGZ-AWEZNQCLSA-N 1 0 314.332 3.138 20 5 DGBDRO CC1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128632235 625058506 /nfs/dbraw/zinc/05/85/06/625058506.db2.gz VJUXYQJAXDGZTK-UHFFFAOYSA-N 1 0 323.368 3.185 20 5 DGBDRO C[N@H+](CCOc1ccccc1F)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788471518 625187964 /nfs/dbraw/zinc/18/79/64/625187964.db2.gz WLTCMYMJCYNIGU-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO C[C@@H]([NH2+]CCCOc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788507594 625201583 /nfs/dbraw/zinc/20/15/83/625201583.db2.gz RWCZTWSYKOXKDC-CYBMUJFWSA-N 1 0 315.373 3.297 20 5 DGBDRO C[C@@H](NCC[C@@H](C)[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788739711 625255204 /nfs/dbraw/zinc/25/52/04/625255204.db2.gz NUEVGCVJZKUMRS-ZIAGYGMSSA-N 1 0 320.437 3.092 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788814351 625273773 /nfs/dbraw/zinc/27/37/73/625273773.db2.gz LEYFWVBLBQWEJZ-TZMCWYRMSA-N 1 0 321.421 3.016 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000796119725 626023848 /nfs/dbraw/zinc/02/38/48/626023848.db2.gz CENZEWLJGUCGEN-INIZCTEOSA-N 1 0 314.341 3.011 20 5 DGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796428173 626048817 /nfs/dbraw/zinc/04/88/17/626048817.db2.gz HSUIMNYDPRFEJL-IUODEOHRSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000796485933 626055780 /nfs/dbraw/zinc/05/57/80/626055780.db2.gz PCGVRICDIDYGJU-DYVFJYSZSA-N 1 0 300.358 3.115 20 5 DGBDRO Cc1nn(C[N@@H+]2CC(C)=C[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797417145 626141316 /nfs/dbraw/zinc/14/13/16/626141316.db2.gz MTXGOUOUVLYFDU-LLVKDONJSA-N 1 0 300.362 3.108 20 5 DGBDRO Cn1c(Cl)cnc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000799337929 626292400 /nfs/dbraw/zinc/29/24/00/626292400.db2.gz BMWJGAUYAPAOKH-UHFFFAOYSA-N 1 0 322.796 3.094 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800846613 626378643 /nfs/dbraw/zinc/37/86/43/626378643.db2.gz PTMJFDAWPXFOPC-GUTXKFCHSA-N 1 0 318.421 3.019 20 5 DGBDRO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000801516583 626407070 /nfs/dbraw/zinc/40/70/70/626407070.db2.gz NUFSAMZGZPJLJP-UHFFFAOYSA-N 1 0 317.364 3.302 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc2c(c1)OCO2 ZINC000801527290 626407636 /nfs/dbraw/zinc/40/76/36/626407636.db2.gz JAWMSVMIGIJLGK-SNVBAGLBSA-N 1 0 318.304 3.313 20 5 DGBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801548283 626409337 /nfs/dbraw/zinc/40/93/37/626409337.db2.gz QYDRPYBMUCHIMZ-INIZCTEOSA-N 1 0 310.369 3.107 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801551323 626409594 /nfs/dbraw/zinc/40/95/94/626409594.db2.gz LHSQXVRGURLZRO-LSDHHAIUSA-N 1 0 310.369 3.417 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000801576066 626410213 /nfs/dbraw/zinc/41/02/13/626410213.db2.gz QPGOEKVTBYJSSH-HNNXBMFYSA-N 1 0 316.332 3.217 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccns1 ZINC000883240260 626620429 /nfs/dbraw/zinc/62/04/29/626620429.db2.gz NFZYLNGWXKLFQU-XFXZXTDPSA-N 1 0 303.387 3.287 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000883271013 626631080 /nfs/dbraw/zinc/63/10/80/626631080.db2.gz CODMRWQIBPPTJE-OBJOEFQTSA-N 1 0 308.378 3.069 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000883274127 626632143 /nfs/dbraw/zinc/63/21/43/626632143.db2.gz ZVYNFIWEQZMTQF-NUTKFTJISA-N 1 0 304.390 3.377 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000883277621 626634376 /nfs/dbraw/zinc/63/43/76/626634376.db2.gz BYAFHLKKYLILHY-RHSMWYFYSA-N 1 0 318.373 3.080 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)OCCc2ccccc21 ZINC000883341320 626653946 /nfs/dbraw/zinc/65/39/46/626653946.db2.gz NNRASSBMSUOKGB-SFHVURJKSA-N 1 0 312.369 3.173 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883353553 626657723 /nfs/dbraw/zinc/65/77/23/626657723.db2.gz XBQTYCYJYNLSBY-KCXAZCMYSA-N 1 0 304.390 3.377 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883369408 626664281 /nfs/dbraw/zinc/66/42/81/626664281.db2.gz QFIAEQOMBNCXFF-OIISXLGYSA-N 1 0 302.374 3.273 20 5 DGBDRO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000804349633 626672393 /nfs/dbraw/zinc/67/23/93/626672393.db2.gz PAEVRPLYROTXMD-RYUDHWBXSA-N 1 0 322.365 3.178 20 5 DGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804372050 626674240 /nfs/dbraw/zinc/67/42/40/626674240.db2.gz HYVPBHPMUMNDOQ-RYUDHWBXSA-N 1 0 322.365 3.035 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000804506858 626688521 /nfs/dbraw/zinc/68/85/21/626688521.db2.gz QASFZAJJHIPOGP-CQSZACIVSA-N 1 0 319.405 3.108 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000804557097 626692881 /nfs/dbraw/zinc/69/28/81/626692881.db2.gz LBGJPOCGGPBUFC-DGCLKSJQSA-N 1 0 309.797 3.169 20 5 DGBDRO CCC[NH+]1CCC(Nc2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000807918307 626777457 /nfs/dbraw/zinc/77/74/57/626777457.db2.gz MAZUBUIUFZJRST-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000807925227 626778107 /nfs/dbraw/zinc/77/81/07/626778107.db2.gz BREYCPWIGZAENZ-CHWSQXEVSA-N 1 0 319.405 3.330 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000808229705 626807347 /nfs/dbraw/zinc/80/73/47/626807347.db2.gz CCRKWPXDFWROMI-AWEZNQCLSA-N 1 0 314.389 3.332 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000800190266 626822502 /nfs/dbraw/zinc/82/25/02/626822502.db2.gz JPSXKFYUMFPPFG-UHFFFAOYSA-N 1 0 314.769 3.137 20 5 DGBDRO [NH3+]CCN(Cc1cccc2[nH]ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000809734530 626942908 /nfs/dbraw/zinc/94/29/08/626942908.db2.gz GPJGLVSNNCDJDB-UHFFFAOYSA-N 1 0 310.357 3.041 20 5 DGBDRO [NH3+]CCN(Cc1ccc(C(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734829 626943657 /nfs/dbraw/zinc/94/36/57/626943657.db2.gz RMDZHHMYRSSRAK-UHFFFAOYSA-N 1 0 321.327 3.498 20 5 DGBDRO C[C@@H]1C[C@H]1c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000809734606 626943658 /nfs/dbraw/zinc/94/36/58/626943658.db2.gz ILVWRXBSVQSGPL-MLGOLLRUSA-N 1 0 315.373 3.277 20 5 DGBDRO C[C@@H](CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000809736397 626943745 /nfs/dbraw/zinc/94/37/45/626943745.db2.gz SIAZCQILCNHRQI-ZDUSSCGKSA-N 1 0 317.364 3.303 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000809746928 626945944 /nfs/dbraw/zinc/94/59/44/626945944.db2.gz DHIPTKHTVOJTCW-OEPRFQHASA-N 1 0 312.369 3.321 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000809787189 626952995 /nfs/dbraw/zinc/95/29/95/626952995.db2.gz VSFLTGZTHYKZDH-BDJLRTHQSA-N 1 0 320.776 3.460 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000886002189 627080663 /nfs/dbraw/zinc/08/06/63/627080663.db2.gz SOJVNTOCHKDJAD-GFCCVEGCSA-N 1 0 301.321 3.118 20 5 DGBDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886024068 627086916 /nfs/dbraw/zinc/08/69/16/627086916.db2.gz YGCYHHPCANTOSX-CYBMUJFWSA-N 1 0 315.373 3.061 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000137008684 627105041 /nfs/dbraw/zinc/10/50/41/627105041.db2.gz XMFSMHUWUIJPEL-IAGOWNOFSA-N 1 0 304.390 3.283 20 5 DGBDRO COc1ccc([C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C(C)C)cc1 ZINC000886104500 627105905 /nfs/dbraw/zinc/10/59/05/627105905.db2.gz DJSVCXKCNTYERM-MRXNPFEDSA-N 1 0 315.373 3.485 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886288945 627131712 /nfs/dbraw/zinc/13/17/12/627131712.db2.gz KUMUTVHLZJHWEC-CYBMUJFWSA-N 1 0 310.781 3.297 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC3(CCC3)CO2)c(Cl)c1 ZINC000886288811 627131775 /nfs/dbraw/zinc/13/17/75/627131775.db2.gz HXHHMXVUCPQBKN-CYBMUJFWSA-N 1 0 310.781 3.297 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886288946 627131915 /nfs/dbraw/zinc/13/19/15/627131915.db2.gz KUMUTVHLZJHWEC-ZDUSSCGKSA-N 1 0 310.781 3.297 20 5 DGBDRO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000886431858 627148262 /nfs/dbraw/zinc/14/82/62/627148262.db2.gz ITOSKJKWCDHJFU-KRWDZBQOSA-N 1 0 300.358 3.069 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886560100 627163596 /nfs/dbraw/zinc/16/35/96/627163596.db2.gz NIWSWAQRHHGHSS-OKILXGFUSA-N 1 0 322.430 3.177 20 5 DGBDRO Cc1[nH]c(C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)[nH+]c1C ZINC000886667861 627184806 /nfs/dbraw/zinc/18/48/06/627184806.db2.gz JVYHPOFVURAWHD-UHFFFAOYSA-N 1 0 320.418 3.376 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886680693 627188311 /nfs/dbraw/zinc/18/83/11/627188311.db2.gz JYMDJRZEVZEBDN-UONOGXRCSA-N 1 0 312.373 3.325 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000886716346 627196817 /nfs/dbraw/zinc/19/68/17/627196817.db2.gz WKDPAPNGVWMWSE-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C2CC2)CCC1 ZINC000886825181 627209292 /nfs/dbraw/zinc/20/92/92/627209292.db2.gz OEXKZJXMHPHSGY-LBPRGKRZSA-N 1 0 317.389 3.234 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886868139 627211647 /nfs/dbraw/zinc/21/16/47/627211647.db2.gz WJTDJUWIQKQTFE-RHSMWYFYSA-N 1 0 303.406 3.121 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872741 627212361 /nfs/dbraw/zinc/21/23/61/627212361.db2.gz ZWUMSGXVPTWRKL-INIZCTEOSA-N 1 0 323.824 3.214 20 5 DGBDRO CN1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811475803 627279158 /nfs/dbraw/zinc/27/91/58/627279158.db2.gz VBFMQPLYDKYKPQ-NSHDSACASA-N 1 0 318.204 3.085 20 5 DGBDRO CC(C)C[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811475969 627279223 /nfs/dbraw/zinc/27/92/23/627279223.db2.gz DTTNWUSWWPKNKV-LLVKDONJSA-N 1 0 321.204 3.398 20 5 DGBDRO C[C@@H](CCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811482197 627279578 /nfs/dbraw/zinc/27/95/78/627279578.db2.gz HIJBBDYHNZTDTC-QMMMGPOBSA-N 1 0 307.177 3.010 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1(CCO)CC1 ZINC000811492072 627281296 /nfs/dbraw/zinc/28/12/96/627281296.db2.gz KIUJQZKBMHEYMV-UHFFFAOYSA-N 1 0 319.188 3.154 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000814224537 627552500 /nfs/dbraw/zinc/55/25/00/627552500.db2.gz IZOJGBQDHPNXCQ-INIZCTEOSA-N 1 0 314.389 3.245 20 5 DGBDRO Cc1c(-c2noc([C@H]3CCC[N@H+]3C(C)C)n2)cccc1[N+](=O)[O-] ZINC000924093573 627601534 /nfs/dbraw/zinc/60/15/34/627601534.db2.gz TZMCLMGLELKCSH-CQSZACIVSA-N 1 0 316.361 3.499 20 5 DGBDRO C[C@@H]([NH2+]CCc1cccc(F)c1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592259 627688877 /nfs/dbraw/zinc/68/88/77/627688877.db2.gz DFABOTJLZLBDRO-SNVBAGLBSA-N 1 0 321.327 3.349 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000924955493 627697395 /nfs/dbraw/zinc/69/73/95/627697395.db2.gz RJBDRTLJFIZGDF-INIZCTEOSA-N 1 0 320.389 3.185 20 5 DGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccnn1C1CCC1 ZINC000925641139 627767486 /nfs/dbraw/zinc/76/74/86/627767486.db2.gz KXWMWSQNMGYBGE-CYBMUJFWSA-N 1 0 314.389 3.410 20 5 DGBDRO C[C@H]1CC2(CC([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)C2)CO1 ZINC000926191532 627858546 /nfs/dbraw/zinc/85/85/46/627858546.db2.gz CMBCGHWSCCGAGG-VLRKGOCCSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927071534 628008352 /nfs/dbraw/zinc/00/83/52/628008352.db2.gz ZKZMGJDAVJIOHI-PZSREKOKSA-N 1 0 319.405 3.033 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927100844 628014020 /nfs/dbraw/zinc/01/40/20/628014020.db2.gz LNRFKVLJKSRDRI-YPMHNXCESA-N 1 0 321.421 3.421 20 5 DGBDRO CCC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000819018218 628078888 /nfs/dbraw/zinc/07/88/88/628078888.db2.gz QVQODEKMABOKPT-WBVHZDCISA-N 1 0 315.373 3.154 20 5 DGBDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819016999 628079069 /nfs/dbraw/zinc/07/90/69/628079069.db2.gz AWEIGCZJNUZWSW-ZWKOTPCHSA-N 1 0 312.369 3.214 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000819108311 628093453 /nfs/dbraw/zinc/09/34/53/628093453.db2.gz CBOPSLBMZWKGEO-DUFGSWQCSA-N 1 0 304.390 3.187 20 5 DGBDRO Cc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000819112935 628094416 /nfs/dbraw/zinc/09/44/16/628094416.db2.gz JULGVDUHLGGKEC-YVEFUNNKSA-N 1 0 318.373 3.141 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCC(F)(F)C2)c1 ZINC000819291190 628128157 /nfs/dbraw/zinc/12/81/57/628128157.db2.gz QYRWKBBHMAJFHG-SMDDNHRTSA-N 1 0 314.332 3.043 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)c1 ZINC000819365999 628141773 /nfs/dbraw/zinc/14/17/73/628141773.db2.gz GKVUVAUNCGNGJD-BHYGNILZSA-N 1 0 304.390 3.044 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)s1 ZINC000823070073 628523106 /nfs/dbraw/zinc/52/31/06/628523106.db2.gz YJRLMBBGHOFUCX-AEJSXWLSSA-N 1 0 320.374 3.300 20 5 DGBDRO Cc1c(-c2noc([C@H](C(C)C)[C@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000823270212 628544158 /nfs/dbraw/zinc/54/41/58/628544158.db2.gz PHQJYNVNVPODFB-GXFFZTMASA-N 1 0 304.350 3.040 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823591741 628577957 /nfs/dbraw/zinc/57/79/57/628577957.db2.gz MZSZHURAWQWKLO-KSSFIOAISA-N 1 0 314.385 3.495 20 5 DGBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1(Cl)Cl ZINC000824773489 628691920 /nfs/dbraw/zinc/69/19/20/628691920.db2.gz LQHYLWWLTIODAV-LLVKDONJSA-N 1 0 307.152 3.407 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H](C)O ZINC000824920878 628707157 /nfs/dbraw/zinc/70/71/57/628707157.db2.gz AMGIFNYVDNETRJ-WRWORJQWSA-N 1 0 307.177 3.151 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000825326493 628749745 /nfs/dbraw/zinc/74/97/45/628749745.db2.gz MZNVCEJTIAFUKZ-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO CCCCC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830155837 629231794 /nfs/dbraw/zinc/23/17/94/629231794.db2.gz MFZODGSURLRHHX-KGLIPLIRSA-N 1 0 321.421 3.330 20 5 DGBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000832204877 629450259 /nfs/dbraw/zinc/45/02/59/629450259.db2.gz UHYVIGOTMGSCDY-HUUCEWRRSA-N 1 0 308.353 3.123 20 5 DGBDRO CC(C)(C)C[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832727635 629508437 /nfs/dbraw/zinc/50/84/37/629508437.db2.gz VKCNPQUZHKZYQG-CZUORRHYSA-N 1 0 306.406 3.386 20 5 DGBDRO CCC(O)(CC)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000102425584 630105544 /nfs/dbraw/zinc/10/55/44/630105544.db2.gz SCBLNNHFFKIBOZ-UHFFFAOYSA-N 1 0 318.373 3.496 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H]3C3CCC3)c2c1 ZINC000102885997 630303094 /nfs/dbraw/zinc/30/30/94/630303094.db2.gz KUVNSOCOBMVJEQ-HNNXBMFYSA-N 1 0 300.362 3.167 20 5 DGBDRO CC(C)C[C@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841747798 630461705 /nfs/dbraw/zinc/46/17/05/630461705.db2.gz UDDKRLPGGLCYAO-DOTOQJQBSA-N 1 0 306.406 3.359 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@H]2C2CCC2)cc1F ZINC000842171436 630501864 /nfs/dbraw/zinc/50/18/64/630501864.db2.gz RCYRQVKGOWPNRS-HNNXBMFYSA-N 1 0 310.394 3.451 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842474060 630539674 /nfs/dbraw/zinc/53/96/74/630539674.db2.gz CPDUFNVXDKTUFC-SWLSCSKDSA-N 1 0 323.824 3.212 20 5 DGBDRO C[NH2+]C[C@H](C)c1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000842576441 630548943 /nfs/dbraw/zinc/54/89/43/630548943.db2.gz HXIPFWINZAROQN-UWVGGRQHSA-N 1 0 322.390 3.154 20 5 DGBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842755365 630571957 /nfs/dbraw/zinc/57/19/57/630571957.db2.gz XWLSUGRNNDHSPD-ZYHUDNBSSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000842832177 630581787 /nfs/dbraw/zinc/58/17/87/630581787.db2.gz AFCCRVSCNDBDTI-CQSZACIVSA-N 1 0 320.389 3.180 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000843127233 630616888 /nfs/dbraw/zinc/61/68/88/630616888.db2.gz CUBLXNLMQNEZME-CQSZACIVSA-N 1 0 309.797 3.013 20 5 DGBDRO CC(C)[C@H]1[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC12CC=CC2 ZINC000843297877 630643549 /nfs/dbraw/zinc/64/35/49/630643549.db2.gz WERIOEWXELYNNF-DLBZAZTESA-N 1 0 316.401 3.305 20 5 DGBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000105442940 630712190 /nfs/dbraw/zinc/71/21/90/630712190.db2.gz BMKZRUQPZRFJHT-LLVKDONJSA-N 1 0 322.796 3.179 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cccc1OCc1ccc2c(c1)C[NH2+]CC2 ZINC000844301856 630717251 /nfs/dbraw/zinc/71/72/51/630717251.db2.gz XYEALCVLYHAWEG-UHFFFAOYSA-N 1 0 318.760 3.473 20 5 DGBDRO O=C(C[NH2+]C1(C2CCC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844416845 630726948 /nfs/dbraw/zinc/72/69/48/630726948.db2.gz DEKCHWCRNDIHSZ-UHFFFAOYSA-N 1 0 323.780 3.109 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@](C)(O)c1ccccc1 ZINC000846038363 631207366 /nfs/dbraw/zinc/20/73/66/631207366.db2.gz PTADCIDMVFJWPC-KDOFPFPSSA-N 1 0 314.385 3.289 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC2(Br)CC2)cc1[N+](=O)[O-] ZINC000846849431 631328096 /nfs/dbraw/zinc/32/80/96/631328096.db2.gz WMYWOMSQTBFTCM-SNVBAGLBSA-N 1 0 313.195 3.481 20 5 DGBDRO CC[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CCC1 ZINC000848478356 631667434 /nfs/dbraw/zinc/66/74/34/631667434.db2.gz GPPXCTNCTAGNGH-UHFFFAOYSA-N 1 0 300.362 3.290 20 5 DGBDRO CC(C)[C@@H](C)[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848474821 631667574 /nfs/dbraw/zinc/66/75/74/631667574.db2.gz IZXBSILNORUZQV-CYBMUJFWSA-N 1 0 302.378 3.392 20 5 DGBDRO C[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)CC(C)(C)C ZINC000848477981 631667983 /nfs/dbraw/zinc/66/79/83/631667983.db2.gz ADXCCVAENNHSBO-UHFFFAOYSA-N 1 0 302.378 3.394 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000848520457 631675563 /nfs/dbraw/zinc/67/55/63/631675563.db2.gz PENJFCKKVHHOIC-RDJZCZTQSA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CSCCS1 ZINC000848530751 631680258 /nfs/dbraw/zinc/68/02/58/631680258.db2.gz FXBNOWXDEBXOLP-GXFFZTMASA-N 1 0 310.444 3.020 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000848536975 631683194 /nfs/dbraw/zinc/68/31/94/631683194.db2.gz YTDSMPKAWNUSSE-MJGOQNOKSA-N 1 0 324.380 3.006 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848572233 631698754 /nfs/dbraw/zinc/69/87/54/631698754.db2.gz WOXQDFMZZQABKR-TZMCWYRMSA-N 1 0 319.405 3.319 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848783986 631748363 /nfs/dbraw/zinc/74/83/63/631748363.db2.gz JLZRCSQCKDFWDP-ZFWWWQNUSA-N 1 0 323.368 3.171 20 5 DGBDRO Cc1cc(C)cc(NC(=[NH2+])NCCc2ccccc2[N+](=O)[O-])c1 ZINC000849088660 631832707 /nfs/dbraw/zinc/83/27/07/631832707.db2.gz SAZOUJIENGCPNN-UHFFFAOYSA-N 1 0 312.373 3.391 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000850341753 632117968 /nfs/dbraw/zinc/11/79/68/632117968.db2.gz AGMNCENWSWZSEF-CYBMUJFWSA-N 1 0 311.813 3.211 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000850424491 632148737 /nfs/dbraw/zinc/14/87/37/632148737.db2.gz JNKKNQPVGADBJX-VXGBXAGGSA-N 1 0 304.346 3.478 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000850439765 632153670 /nfs/dbraw/zinc/15/36/70/632153670.db2.gz OIAHQCQFOWWCFZ-MELADBBJSA-N 1 0 321.421 3.127 20 5 DGBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000850541226 632186873 /nfs/dbraw/zinc/18/68/73/632186873.db2.gz WYQMOHRNMSVOOJ-KRWDZBQOSA-N 1 0 303.406 3.342 20 5 DGBDRO CC1(C)C[C@@]1(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850555851 632191573 /nfs/dbraw/zinc/19/15/73/632191573.db2.gz NIUOQCONNWVNAG-QGZVFWFLSA-N 1 0 303.406 3.342 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC1SCCS1 ZINC000850568961 632197561 /nfs/dbraw/zinc/19/75/61/632197561.db2.gz OLJQQOQUXFFSSZ-GFCCVEGCSA-N 1 0 310.444 3.368 20 5 DGBDRO CO[C@H]1CC[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000851791276 632494954 /nfs/dbraw/zinc/49/49/54/632494954.db2.gz WKKIQVNMWSSLON-YOEHRIQHSA-N 1 0 320.389 3.006 20 5 DGBDRO Cc1noc(C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000852047327 632544559 /nfs/dbraw/zinc/54/45/59/632544559.db2.gz ZQLAVZZCVCLBTK-RISCZKNCSA-N 1 0 301.346 3.474 20 5 DGBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852106271 632556503 /nfs/dbraw/zinc/55/65/03/632556503.db2.gz VXIAYDNXIOLYJS-INIZCTEOSA-N 1 0 323.824 3.166 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3ccco3)CC2)c1 ZINC000852323943 632587862 /nfs/dbraw/zinc/58/78/62/632587862.db2.gz OAEQQBRUVMWPGU-INIZCTEOSA-N 1 0 316.357 3.101 20 5 DGBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000852417157 632601864 /nfs/dbraw/zinc/60/18/64/632601864.db2.gz JHYAQONWKDVMPJ-NSHDSACASA-N 1 0 307.375 3.171 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000453199524 660486087 /nfs/dbraw/zinc/48/60/87/660486087.db2.gz SHJRGKGZVXRTIM-LSDHHAIUSA-N 1 0 324.808 3.338 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc3n2CCCC3)cc1Cl ZINC000793621037 661050559 /nfs/dbraw/zinc/05/05/59/661050559.db2.gz WVXIZMTYSQPXLA-UHFFFAOYSA-N 1 0 320.780 3.071 20 5 DGBDRO Cc1nn(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794686753 661098465 /nfs/dbraw/zinc/09/84/65/661098465.db2.gz QKPHGVDCFPZSQF-LBPRGKRZSA-N 1 0 317.393 3.116 20 5 DGBDRO CCOc1cccc(NC[C@H]([NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000262355366 655720058 /nfs/dbraw/zinc/72/00/58/655720058.db2.gz VTPQXZXZIYCBKR-ZDUSSCGKSA-N 1 0 301.346 3.105 20 5 DGBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000934236020 655757985 /nfs/dbraw/zinc/75/79/85/655757985.db2.gz XFKLFIWIIVWPLT-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)c1cccc([N+](=O)[O-])c1 ZINC000892623913 655965591 /nfs/dbraw/zinc/96/55/91/655965591.db2.gz XVNJABRYHZKMAR-XHVZSJERSA-N 1 0 313.195 3.419 20 5 DGBDRO CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427250 655965628 /nfs/dbraw/zinc/96/56/28/655965628.db2.gz QYDWTIMOIBTFKP-KBPBESRZSA-N 1 0 321.421 3.330 20 5 DGBDRO Cc1ccc(-c2csc([C@@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000053252101 656137957 /nfs/dbraw/zinc/13/79/57/656137957.db2.gz WKMMNOFERHJGEX-GFCCVEGCSA-N 1 0 303.387 3.494 20 5 DGBDRO CCOCC(C)(C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000313377640 656269807 /nfs/dbraw/zinc/26/98/07/656269807.db2.gz QSJPQDQVOZIZMP-UHFFFAOYSA-N 1 0 300.786 3.401 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931911515 656792323 /nfs/dbraw/zinc/79/23/23/656792323.db2.gz NUISMASJLVNRCG-LBPRGKRZSA-N 1 0 318.270 3.461 20 5 DGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000172584064 659345116 /nfs/dbraw/zinc/34/51/16/659345116.db2.gz YXGYTIIUNNHXTH-LBPRGKRZSA-N 1 0 311.813 3.022 20 5 DGBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000174725702 659541075 /nfs/dbraw/zinc/54/10/75/659541075.db2.gz YOHPHSJFVCBYBI-SFHVURJKSA-N 1 0 314.385 3.459 20 5 DGBDRO CC(C)[NH+](CCNCc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000035368070 661347459 /nfs/dbraw/zinc/34/74/59/661347459.db2.gz AJVMEUUFJVUNBU-UHFFFAOYSA-N 1 0 313.829 3.457 20 5 DGBDRO CCc1onc(C)c1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930098368 661366041 /nfs/dbraw/zinc/36/60/41/661366041.db2.gz BFECZOGVWUAXMK-UHFFFAOYSA-N 1 0 301.346 3.012 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC[N+](=O)[O-])ccc1OCCC(C)C ZINC000930208141 661377723 /nfs/dbraw/zinc/37/77/23/661377723.db2.gz KODSICMZNGFWJA-CYBMUJFWSA-N 1 0 310.394 3.047 20 5 DGBDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930226711 661379774 /nfs/dbraw/zinc/37/97/74/661379774.db2.gz WEJOIOYBOFYFOY-ZDUSSCGKSA-N 1 0 300.358 3.290 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932134719 661540570 /nfs/dbraw/zinc/54/05/70/661540570.db2.gz HTVQMUGSAMIKAO-KGLIPLIRSA-N 1 0 314.389 3.269 20 5 DGBDRO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932180180 661544919 /nfs/dbraw/zinc/54/49/19/661544919.db2.gz PLAGUOKSCFQXBL-ZIAGYGMSSA-N 1 0 321.421 3.138 20 5 DGBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000932560175 661579604 /nfs/dbraw/zinc/57/96/04/661579604.db2.gz FMHBRWQHPRHCNS-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)cs1 ZINC000933076072 661616137 /nfs/dbraw/zinc/61/61/37/661616137.db2.gz CTNYVVLVDOCYFH-AWEZNQCLSA-N 1 0 310.419 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC000933083812 661616893 /nfs/dbraw/zinc/61/68/93/661616893.db2.gz YZRYUDWWJKIROM-MRXNPFEDSA-N 1 0 304.390 3.233 20 5 DGBDRO CCOc1cc(C[NH2+][C@H]2CCOC23CCCC3)ccc1[N+](=O)[O-] ZINC000934393662 661704150 /nfs/dbraw/zinc/70/41/50/661704150.db2.gz ZUNREJYQDQFILC-INIZCTEOSA-N 1 0 320.389 3.185 20 5 DGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000934628651 661720174 /nfs/dbraw/zinc/72/01/74/661720174.db2.gz ZTKIGSPPHIFUJJ-BXUZGUMPSA-N 1 0 314.345 3.089 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000934840111 661740614 /nfs/dbraw/zinc/74/06/14/661740614.db2.gz BDFLCVKNRKTUFP-HZPDHXFCSA-N 1 0 304.390 3.233 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000084439718 662200724 /nfs/dbraw/zinc/20/07/24/662200724.db2.gz SKZZUIUXIIRZEK-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084439995 662200927 /nfs/dbraw/zinc/20/09/27/662200927.db2.gz WTQIOECLIJZFOC-LBPRGKRZSA-N 1 0 311.813 3.068 20 5 DGBDRO C[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246378354 662256941 /nfs/dbraw/zinc/25/69/41/662256941.db2.gz ZEYUEXYHZJSUCS-SCLBCKFNSA-N 1 0 312.369 3.075 20 5 DGBDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000957131385 662352604 /nfs/dbraw/zinc/35/26/04/662352604.db2.gz RDAJKCOALTWWBT-UNEWFSDZSA-N 1 0 304.390 3.342 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000490414779 685263954 /nfs/dbraw/zinc/26/39/54/685263954.db2.gz YWKZSCNNPYEIQL-LBPRGKRZSA-N 1 0 300.362 3.259 20 5 DGBDRO C[C@@H](OC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001579420540 1191976349 /nfs/dbraw/zinc/97/63/49/1191976349.db2.gz MHWJFABFMOWDTF-LLVKDONJSA-N 1 0 312.325 3.116 20 5 DGBDRO [NH3+][C@H](CCNc1c(F)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC001580128684 1192008944 /nfs/dbraw/zinc/00/89/44/1192008944.db2.gz ZBGSRMDSJVWYDZ-CYBMUJFWSA-N 1 0 303.337 3.106 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@@H]1CC[NH2+]C12CCC2 ZINC001580874897 1192043477 /nfs/dbraw/zinc/04/34/77/1192043477.db2.gz NUTXGWBBFPESBW-GFCCVEGCSA-N 1 0 315.295 3.310 20 5 DGBDRO COc1ccccc1/C=C\C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001620920568 1192610783 /nfs/dbraw/zinc/61/07/83/1192610783.db2.gz UNGNDRBAIIJTFB-TWGQIWQCSA-N 1 0 312.369 3.449 20 5 DGBDRO O=[N+]([O-])CC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC001334687598 1178779854 /nfs/dbraw/zinc/77/98/54/1178779854.db2.gz XWQFHYZWEGIYBU-INIZCTEOSA-N 1 0 306.312 3.115 20 5 DGBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C[N@@H+]1C1CC1 ZINC001349995500 1179994469 /nfs/dbraw/zinc/99/44/69/1179994469.db2.gz QIVRIUXQNOYGCT-RYUDHWBXSA-N 1 0 312.373 3.180 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC2(CC2(F)F)C1 ZINC001350161039 1180028163 /nfs/dbraw/zinc/02/81/63/1180028163.db2.gz SEQVXMYMKVXLRE-IPWFMCSPSA-N 1 0 312.316 3.442 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCc1ccccc1)C(C)C ZINC001352886449 1180416423 /nfs/dbraw/zinc/41/64/23/1180416423.db2.gz DLRAHRSPOPINNA-UHFFFAOYSA-N 1 0 316.405 3.053 20 5 DGBDRO C[C@@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001354158513 1180732969 /nfs/dbraw/zinc/73/29/69/1180732969.db2.gz ZKROEULNMZKWEB-VXGBXAGGSA-N 1 0 322.384 3.194 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001354456779 1180801059 /nfs/dbraw/zinc/80/10/59/1180801059.db2.gz XXZLYUBOIDBYSB-NSHDSACASA-N 1 0 310.354 3.035 20 5 DGBDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001200723215 1180852769 /nfs/dbraw/zinc/85/27/69/1180852769.db2.gz DBDCILKVPZYGMY-OAHLLOKOSA-N 1 0 318.373 3.496 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001473365959 1181481249 /nfs/dbraw/zinc/48/12/49/1181481249.db2.gz YBMGMBNLBBAAOL-OLZOCXBDSA-N 1 0 319.405 3.290 20 5 DGBDRO C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459936321 1182631778 /nfs/dbraw/zinc/63/17/78/1182631778.db2.gz NTCWWPLCORAMMX-OCCSQVGLSA-N 1 0 323.462 3.399 20 5 DGBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C ZINC001459987457 1182636849 /nfs/dbraw/zinc/63/68/49/1182636849.db2.gz PLKPVBSULIPFRH-RYUDHWBXSA-N 1 0 323.368 3.183 20 5 DGBDRO Cc1ncsc1CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001460103044 1182651085 /nfs/dbraw/zinc/65/10/85/1182651085.db2.gz XGUXWDZGPGZEOD-UHFFFAOYSA-N 1 0 319.430 3.467 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001460124358 1182654628 /nfs/dbraw/zinc/65/46/28/1182654628.db2.gz MFWZEEOUQAILFE-BIGNPOOSSA-N 1 0 312.797 3.397 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCOC23CCCCC3)cc1[N+](=O)[O-] ZINC001460886520 1182735928 /nfs/dbraw/zinc/73/59/28/1182735928.db2.gz DWJNLKWLJXBLPW-MRXNPFEDSA-N 1 0 304.390 3.485 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(Cl)c(F)c2)cc1 ZINC001461168336 1182776414 /nfs/dbraw/zinc/77/64/14/1182776414.db2.gz AQPYYPWMRMEALN-UHFFFAOYSA-N 1 0 309.728 3.115 20 5 DGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C12CCC2 ZINC001461566471 1182828527 /nfs/dbraw/zinc/82/85/27/1182828527.db2.gz RYNSQTBXHKFSBK-CVEARBPZSA-N 1 0 304.390 3.259 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)s1 ZINC001472858097 1183691248 /nfs/dbraw/zinc/69/12/48/1183691248.db2.gz VGEVBHZLLRRZEV-LBPRGKRZSA-N 1 0 310.423 3.260 20 5 DGBDRO CC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1C ZINC001472862816 1183692313 /nfs/dbraw/zinc/69/23/13/1183692313.db2.gz AVKQPYCVTIDIID-BETUJISGSA-N 1 0 314.389 3.062 20 5 DGBDRO Cc1cc(N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001472879035 1183695389 /nfs/dbraw/zinc/69/53/89/1183695389.db2.gz WHSHFTDPCIQEGL-ZDUSSCGKSA-N 1 0 321.396 3.495 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC001473187893 1183726523 /nfs/dbraw/zinc/72/65/23/1183726523.db2.gz UJZXPVCWKQKKEH-NVXWUHKLSA-N 1 0 322.405 3.239 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC001473278651 1183738517 /nfs/dbraw/zinc/73/85/17/1183738517.db2.gz KBJUSAVPRPBLSK-ZIAGYGMSSA-N 1 0 308.426 3.294 20 5 DGBDRO COc1ccc(C[N@@H+]2CCC[C@H]2COC(C)(C)C)cc1[N+](=O)[O-] ZINC001473782683 1183801404 /nfs/dbraw/zinc/80/14/04/1183801404.db2.gz ZHLCFQMBBOQQSB-AWEZNQCLSA-N 1 0 322.405 3.383 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccccc1[N+](=O)[O-] ZINC001473878336 1183817711 /nfs/dbraw/zinc/81/77/11/1183817711.db2.gz VYRHULOGKJEKMT-WMZOPIPTSA-N 1 0 317.433 3.290 20 5 DGBDRO CO[C@](C)(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC001474318270 1183903827 /nfs/dbraw/zinc/90/38/27/1183903827.db2.gz CNSRGDDGMREDQO-QGZVFWFLSA-N 1 0 304.390 3.374 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1 ZINC001474438265 1183922045 /nfs/dbraw/zinc/92/20/45/1183922045.db2.gz FDRQDAFSPINJQF-CQSZACIVSA-N 1 0 320.295 3.139 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC(C(C)C)C(C)C)c1[N+](=O)[O-] ZINC001474456822 1183924799 /nfs/dbraw/zinc/92/47/99/1183924799.db2.gz QEWMQKOSFNRHFT-UHFFFAOYSA-N 1 0 310.394 3.327 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2C[C@@H]2C2CCCC2)c1[N+](=O)[O-] ZINC001474754741 1183973817 /nfs/dbraw/zinc/97/38/17/1183973817.db2.gz BPQNFWKQGMALAI-UONOGXRCSA-N 1 0 320.389 3.225 20 5 DGBDRO CC(=O)c1ccc(N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])c1 ZINC001612607460 1193457680 /nfs/dbraw/zinc/45/76/80/1193457680.db2.gz ROOBCKONPYJIIG-HOTGVXAUSA-N 1 0 317.389 3.082 20 5 DGBDRO Cc1cc(N2CCC(C)([NH+]3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC001612700250 1193459698 /nfs/dbraw/zinc/45/96/98/1193459698.db2.gz IBEOULPAIXNDSY-UHFFFAOYSA-N 1 0 321.396 3.497 20 5 DGBDRO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[N@@H+]1C ZINC001612780245 1193461253 /nfs/dbraw/zinc/46/12/53/1193461253.db2.gz SFWANMZNBOYUKT-CQSZACIVSA-N 1 0 313.348 3.309 20 5 DGBDRO CCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC001617660865 1193577248 /nfs/dbraw/zinc/57/72/48/1193577248.db2.gz CHUINYAHLRXAEJ-UHFFFAOYSA-N 1 0 321.421 3.306 20 5 DGBDRO C[N@H+](CCNc1c(F)cccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001559127314 1189173180 /nfs/dbraw/zinc/17/31/80/1189173180.db2.gz HUYKXUVSYNTNPR-UHFFFAOYSA-N 1 0 321.327 3.417 20 5 DGBDRO C[NH2+]C1(CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC001559193340 1189179250 /nfs/dbraw/zinc/17/92/50/1189179250.db2.gz YVVYEHVAKRQCNF-UHFFFAOYSA-N 1 0 317.311 3.476 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001559203142 1189180412 /nfs/dbraw/zinc/18/04/12/1189180412.db2.gz JTBLYJKMBZRFPW-CYBMUJFWSA-N 1 0 316.405 3.097 20 5 DGBDRO C[NH2+]C1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCCCC1 ZINC001559266353 1189189760 /nfs/dbraw/zinc/18/97/60/1189189760.db2.gz XUNKARQIWAOWEW-UHFFFAOYSA-N 1 0 314.389 3.477 20 5 DGBDRO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001559768532 1189240352 /nfs/dbraw/zinc/24/03/52/1189240352.db2.gz GTRQVJDYFXDQEU-YNEHKIRRSA-N 1 0 305.378 3.042 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC001559846848 1189248370 /nfs/dbraw/zinc/24/83/70/1189248370.db2.gz MFWVAMAPRPBGLN-IUIKQTSFSA-N 1 0 322.405 3.143 20 5 DGBDRO CCOC[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559900305 1189254360 /nfs/dbraw/zinc/25/43/60/1189254360.db2.gz JHVFTFZYABGIPE-INIZCTEOSA-N 1 0 322.405 3.255 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001559921880 1189258121 /nfs/dbraw/zinc/25/81/21/1189258121.db2.gz USRGQWAJMSMQBK-STQMWFEESA-N 1 0 307.350 3.417 20 5 DGBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC001560026488 1189270177 /nfs/dbraw/zinc/27/01/77/1189270177.db2.gz XCVHLPCWYXUPCJ-CQSZACIVSA-N 1 0 306.410 3.121 20 5 DGBDRO Cc1c(CNCC2([NH+](C)C)CCCCC2)cccc1[N+](=O)[O-] ZINC001560246192 1189298328 /nfs/dbraw/zinc/29/83/28/1189298328.db2.gz NCAPZWUIWRGQNL-UHFFFAOYSA-N 1 0 305.422 3.257 20 5 DGBDRO CC[C@H]([NH2+]Cc1cccc2nccn21)c1cccc([N+](=O)[O-])c1 ZINC001560423260 1189326538 /nfs/dbraw/zinc/32/65/38/1189326538.db2.gz BEAHDMHHCAFZOH-INIZCTEOSA-N 1 0 310.357 3.483 20 5 DGBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC001560546883 1189339223 /nfs/dbraw/zinc/33/92/23/1189339223.db2.gz MICFCSKKOOSOQZ-WOFXILAISA-N 1 0 311.179 3.245 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccccc1[N+](=O)[O-] ZINC001560578592 1189344006 /nfs/dbraw/zinc/34/40/06/1189344006.db2.gz ZEGFCYMFQBLKPW-LBPRGKRZSA-N 1 0 310.357 3.332 20 5 DGBDRO C[C@H](O)C(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001560609643 1189347706 /nfs/dbraw/zinc/34/77/06/1189347706.db2.gz SWVNQIWBPXVZOZ-LBPRGKRZSA-N 1 0 318.373 3.351 20 5 DGBDRO CCCn1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001560781333 1189380635 /nfs/dbraw/zinc/38/06/35/1189380635.db2.gz YEOQQVSXJXLRLY-UHFFFAOYSA-N 1 0 316.405 3.184 20 5 DGBDRO CCCN(CCC[NH+](C)C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001560812665 1189386022 /nfs/dbraw/zinc/38/60/22/1189386022.db2.gz ZWHDISJUKPGOMW-UHFFFAOYSA-N 1 0 307.438 3.375 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CC1CCC1 ZINC001560954651 1189410641 /nfs/dbraw/zinc/41/06/41/1189410641.db2.gz YAGRMYYOYRTLGE-STQMWFEESA-N 1 0 319.405 3.480 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC001560998397 1189418549 /nfs/dbraw/zinc/41/85/49/1189418549.db2.gz WPRHJFWYJWXRTF-SCOADAFUSA-N 1 0 318.417 3.481 20 5 DGBDRO CC[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001561014960 1189420680 /nfs/dbraw/zinc/42/06/80/1189420680.db2.gz HGTQOSWVTMOZSN-AWEZNQCLSA-N 1 0 322.405 3.095 20 5 DGBDRO CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@@H](C)[NH3+] ZINC001575408759 1191479806 /nfs/dbraw/zinc/47/98/06/1191479806.db2.gz WGYCFHGNSFGVEN-BDJLRTHQSA-N 1 0 315.373 3.306 20 5 DGBDRO C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC001576164130 1191534727 /nfs/dbraw/zinc/53/47/27/1191534727.db2.gz KRHUWJMQVCCXJG-VXGBXAGGSA-N 1 0 313.357 3.106 20 5 DGBDRO CC1(C)[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCC[NH2+][C@H]21 ZINC001576389019 1191579200 /nfs/dbraw/zinc/57/92/00/1191579200.db2.gz DMABCMZVFPAAHT-NWANDNLSSA-N 1 0 323.824 3.114 20 5 DGBDRO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC001618150525 1193726146 /nfs/dbraw/zinc/72/61/46/1193726146.db2.gz QBPIOVAUCYQNSD-CQSZACIVSA-N 1 0 319.405 3.272 20 5 DGBDRO CCC1(CC)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001620555071 1193778587 /nfs/dbraw/zinc/77/85/87/1193778587.db2.gz NYULKUCUWWUGPV-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2n[nH]cc21 ZINC001621278059 1193826051 /nfs/dbraw/zinc/82/60/51/1193826051.db2.gz DHQZMEGKRAWSNQ-UHFFFAOYSA-N 1 0 310.357 3.146 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2noc3cc(F)ccc32)cc1 ZINC001621493091 1193850432 /nfs/dbraw/zinc/85/04/32/1193850432.db2.gz HRGFTFFDNIDOKN-UHFFFAOYSA-N 1 0 315.304 3.207 20 5 DGBDRO COc1ccc(F)cc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001621523898 1193853235 /nfs/dbraw/zinc/85/32/35/1193853235.db2.gz SJUTVRACFGVTAA-UHFFFAOYSA-N 1 0 322.311 3.214 20 5 DGBDRO C[NH+](C)Cc1cccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001623746727 1193956246 /nfs/dbraw/zinc/95/62/46/1193956246.db2.gz YCRQQZITYFGSRU-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001638230585 1194707984 /nfs/dbraw/zinc/70/79/84/1194707984.db2.gz GRHJHKYJYITVEN-KGLIPLIRSA-N 1 0 319.405 3.271 20 5 DGBDRO CCC(=O)c1ccc(NCc2ccc3c[nH+]cn3c2)c([N+](=O)[O-])c1 ZINC001640009119 1194791619 /nfs/dbraw/zinc/79/16/19/1194791619.db2.gz NZSOTAGMRPKFOP-UHFFFAOYSA-N 1 0 324.340 3.447 20 5 DGBDRO Cc1cc(N2CCC3(CC2)CC[NH+](C)CC3)c(F)cc1[N+](=O)[O-] ZINC001640258517 1194804316 /nfs/dbraw/zinc/80/43/16/1194804316.db2.gz LMPHYHKGPTUVOV-UHFFFAOYSA-N 1 0 321.396 3.355 20 5 DGBDRO CCCC1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001641929150 1194879482 /nfs/dbraw/zinc/87/94/82/1194879482.db2.gz MWFZZCXUVANTKX-UHFFFAOYSA-N 1 0 322.405 3.494 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(CC)CC ZINC001642126750 1194889457 /nfs/dbraw/zinc/88/94/57/1194889457.db2.gz INUUGEASNGZOMQ-LSDHHAIUSA-N 1 0 321.421 3.405 20 5 DGBDRO Cc1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001642994472 1194959017 /nfs/dbraw/zinc/95/90/17/1194959017.db2.gz XGCSXZIERRRADL-HNNXBMFYSA-N 1 0 303.406 3.437 20 5 DGBDRO C[N@H+](CCOC1CCCCC1)CCc1ccccc1[N+](=O)[O-] ZINC001643057458 1194963643 /nfs/dbraw/zinc/96/36/43/1194963643.db2.gz UQTJQOXXNIKXHU-UHFFFAOYSA-N 1 0 306.406 3.418 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001643274486 1195010862 /nfs/dbraw/zinc/01/08/62/1195010862.db2.gz FOXNAJBLXXTYLE-LLVKDONJSA-N 1 0 315.320 3.092 20 5 DGBDRO Cc1ccccc1CC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001645852147 1195204470 /nfs/dbraw/zinc/20/44/70/1195204470.db2.gz UFCQUZZVYWJCRZ-UHFFFAOYSA-N 1 0 314.385 3.457 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC001646293568 1195221320 /nfs/dbraw/zinc/22/13/20/1195221320.db2.gz RIEZYVLYGUUNAS-OAHLLOKOSA-N 1 0 322.430 3.191 20 5 DGBDRO CC[N@H+]1[C@H](C)CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC001646537114 1195233712 /nfs/dbraw/zinc/23/37/12/1195233712.db2.gz SHVURBOUDYVENX-TXEJJXNPSA-N 1 0 311.813 3.163 20 5 DGBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C1CCCC1 ZINC001648327080 1195292254 /nfs/dbraw/zinc/29/22/54/1195292254.db2.gz ADIIEZLTEAFEGZ-ZDUSSCGKSA-N 1 0 321.396 3.183 20 5 DGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001650842848 1195387749 /nfs/dbraw/zinc/38/77/49/1195387749.db2.gz HQKNXKARQTWOGL-UHFFFAOYSA-N 1 0 317.364 3.302 20 5 DGBDRO Cc1cc(N(CC[NH+](C)C)CC2CCCCC2)ncc1[N+](=O)[O-] ZINC001650897576 1195392961 /nfs/dbraw/zinc/39/29/61/1195392961.db2.gz BUZHINSYRIYRGK-UHFFFAOYSA-N 1 0 320.437 3.247 20 5 DGBDRO CN(CC[N@H+](C)C1CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001650980249 1195401172 /nfs/dbraw/zinc/40/11/72/1195401172.db2.gz LKOYFXNAYLYPMJ-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO C[C@@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC001651108882 1195414870 /nfs/dbraw/zinc/41/48/70/1195414870.db2.gz PHYWITNXJICGMZ-AOOOYVTPSA-N 1 0 317.311 3.142 20 5 DGBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001651166417 1195422346 /nfs/dbraw/zinc/42/23/46/1195422346.db2.gz RVFGJCAVKIAAFX-JTQLQIEISA-N 1 0 317.311 3.144 20 5 DGBDRO CC[C@@H](CNc1ccc([N+](=O)[O-])c(OC(C)C)n1)[NH+]1CCCC1 ZINC001651368066 1195451558 /nfs/dbraw/zinc/45/15/58/1195451558.db2.gz XOKKZEQJGHXQJR-ZDUSSCGKSA-N 1 0 322.409 3.063 20 5 DGBDRO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001651712091 1195500663 /nfs/dbraw/zinc/50/06/63/1195500663.db2.gz HGVQWWFFISEHSB-JOYOIKCWSA-N 1 0 313.195 3.491 20 5 DGBDRO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001652233755 1195566760 /nfs/dbraw/zinc/56/67/60/1195566760.db2.gz AOSHUMREJJZAGL-LBPRGKRZSA-N 1 0 307.369 3.187 20 5 DGBDRO CO[C@]1(C)C[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001652571078 1195619272 /nfs/dbraw/zinc/61/92/72/1195619272.db2.gz FCHNGONTHJCMGN-DOTOQJQBSA-N 1 0 322.405 3.109 20 5 DGBDRO CCC[C@H](CCO)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001652963047 1195675687 /nfs/dbraw/zinc/67/56/87/1195675687.db2.gz FPMIEUWKULOKPP-UAGQMJEPSA-N 1 0 320.433 3.447 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CO)CC(C)(C)C ZINC001653619407 1195738665 /nfs/dbraw/zinc/73/86/65/1195738665.db2.gz SJRHZDLBMCOGRR-CYBMUJFWSA-N 1 0 314.813 3.477 20 5 DGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC12CC(C)(C1)OC2 ZINC001653740796 1195747383 /nfs/dbraw/zinc/74/73/83/1195747383.db2.gz KTVGVOCWAZJVJK-UHFFFAOYSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC001654541782 1195814755 /nfs/dbraw/zinc/81/47/55/1195814755.db2.gz YAYXHOALESPSDE-KGLIPLIRSA-N 1 0 322.430 3.049 20 5 DGBDRO C[C@]12C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001654947137 1195857037 /nfs/dbraw/zinc/85/70/37/1195857037.db2.gz GIWYQBGGTOXSRX-IHETXDGRSA-N 1 0 316.401 3.342 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001654987876 1195861997 /nfs/dbraw/zinc/86/19/97/1195861997.db2.gz VXDDHIKDIYOZQT-HNNXBMFYSA-N 1 0 306.410 3.002 20 5 DGBDRO Cc1cccnc1[C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001655077356 1195872449 /nfs/dbraw/zinc/87/24/49/1195872449.db2.gz WVIFEDOBJFQOLC-ZDUSSCGKSA-N 1 0 301.346 3.028 20 5 DGBDRO Cc1ccc(C[NH2+]CCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001655270624 1195898517 /nfs/dbraw/zinc/89/85/17/1195898517.db2.gz RYVXQAFMKSYMKW-UHFFFAOYSA-N 1 0 304.321 3.211 20 5 DGBDRO C[C@](CO)([NH2+]CCCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001655317982 1195903445 /nfs/dbraw/zinc/90/34/45/1195903445.db2.gz NDSUELKTQJMLTL-QGZVFWFLSA-N 1 0 306.406 3.362 20 5 DGBDRO CN(CCCC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC001655436034 1195917070 /nfs/dbraw/zinc/91/70/70/1195917070.db2.gz FWIYXODUTFLMTD-UHFFFAOYSA-N 1 0 323.412 3.432 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(Cl)c1NC[C@@H]1CSCC[NH2+]1 ZINC001655815135 1195965687 /nfs/dbraw/zinc/96/56/87/1195965687.db2.gz SURFXXWMMRPHKN-SSDOTTSWSA-N 1 0 322.217 3.019 20 5 DGBDRO Cc1ccc(C[NH2+]CCN2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC001656975568 1196088675 /nfs/dbraw/zinc/08/86/75/1196088675.db2.gz CFLBLTPJHLXDTF-UHFFFAOYSA-N 1 0 311.385 3.009 20 5 DGBDRO COc1ccc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC001657088070 1196103566 /nfs/dbraw/zinc/10/35/66/1196103566.db2.gz QSRYZMITIZLVIW-UHFFFAOYSA-N 1 0 318.348 3.383 20 5 DGBDRO CC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001658034265 1196206033 /nfs/dbraw/zinc/20/60/33/1196206033.db2.gz BUPPTRMDWCKFKJ-CYBMUJFWSA-N 1 0 308.378 3.052 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC001658217360 1196226161 /nfs/dbraw/zinc/22/61/61/1196226161.db2.gz DTUCULIKMHWZEM-ZDUSSCGKSA-N 1 0 317.433 3.128 20 5 DGBDRO CC(C)C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)C ZINC001658278773 1196234600 /nfs/dbraw/zinc/23/46/00/1196234600.db2.gz OIWHQDHWWQBZQK-CQSZACIVSA-N 1 0 320.437 3.404 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC001658281541 1196235755 /nfs/dbraw/zinc/23/57/55/1196235755.db2.gz PAQXUIPEZCMOEV-HNNXBMFYSA-N 1 0 319.449 3.422 20 5 DGBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001658340941 1196243885 /nfs/dbraw/zinc/24/38/85/1196243885.db2.gz HDHLECLTQZFDDQ-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC001658730093 1196293399 /nfs/dbraw/zinc/29/33/99/1196293399.db2.gz ARSUTBSKPUBORM-VXXVJXPCSA-N 1 0 304.390 3.091 20 5 DGBDRO C[C@H](C[NH2+]Cc1cnc2ccccc2n1)c1ccccc1[N+](=O)[O-] ZINC001658990389 1196329440 /nfs/dbraw/zinc/32/94/40/1196329440.db2.gz PICFNXLDAKHRMD-CYBMUJFWSA-N 1 0 322.368 3.431 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CCCc2ccsc2)c1[N+](=O)[O-] ZINC001659119219 1196348781 /nfs/dbraw/zinc/34/87/81/1196348781.db2.gz YBEFKXNOIVIICC-UHFFFAOYSA-N 1 0 322.386 3.093 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC001659266275 1196365240 /nfs/dbraw/zinc/36/52/40/1196365240.db2.gz VGIYIEYUEBTTOH-DOTOQJQBSA-N 1 0 320.433 3.441 20 5 DGBDRO Cc1c(CN2CCCC[C@H]2[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001660369699 1196476436 /nfs/dbraw/zinc/47/64/36/1196476436.db2.gz JSWMYLVUOSDNAR-PBHICJAKSA-N 1 0 319.449 3.455 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(O)(C(C)C)CC1 ZINC001660897592 1196540102 /nfs/dbraw/zinc/54/01/02/1196540102.db2.gz DENLPXXSVQPGKR-RVDMUPIBSA-N 1 0 318.417 3.481 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2OCc3ccccc32)c(F)c1 ZINC001660908202 1196540482 /nfs/dbraw/zinc/54/04/82/1196540482.db2.gz NDIVJYQUILEHKM-INIZCTEOSA-N 1 0 302.305 3.095 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1cc(N(C)C)cc[nH+]1 ZINC001662040079 1196676996 /nfs/dbraw/zinc/67/69/96/1196676996.db2.gz XFLJSJGWKLFPAB-UHFFFAOYSA-N 1 0 316.361 3.067 20 5 DGBDRO CCOC(OCC)[C@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001663513741 1196892030 /nfs/dbraw/zinc/89/20/30/1196892030.db2.gz AFRISSAOVWJXEY-ZDUSSCGKSA-N 1 0 310.394 3.089 20 5 DGBDRO COc1c(O)ccc(CN2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001663805546 1196947710 /nfs/dbraw/zinc/94/77/10/1196947710.db2.gz QGAIWXGNTCMIFI-UHFFFAOYSA-N 1 0 320.389 3.487 20 5 DGBDRO CC1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC001664118147 1196972761 /nfs/dbraw/zinc/97/27/61/1196972761.db2.gz LOLMIWKXGMITIY-UHFFFAOYSA-N 1 0 303.406 3.297 20 5 DGBDRO CC[C@H](C)CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001665199505 1197107918 /nfs/dbraw/zinc/10/79/18/1197107918.db2.gz QZZLHHNFZSOKDR-STQMWFEESA-N 1 0 307.394 3.338 20 5 DGBDRO Cc1cnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001165046393 721965603 /nfs/dbraw/zinc/96/56/03/721965603.db2.gz KTFQVHPHIOQVLR-OAHLLOKOSA-N 1 0 318.421 3.143 20 5 DGBDRO CC(C)CCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001167223585 1081816181 /nfs/dbraw/zinc/81/61/81/1081816181.db2.gz ZDHZRZPPRNXSTB-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO [NH3+]Cc1cnc2c(ccn2-c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001167311641 1081942976 /nfs/dbraw/zinc/94/29/76/1081942976.db2.gz WCSXDOAMBZUFRZ-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170295848 1082337177 /nfs/dbraw/zinc/33/71/77/1082337177.db2.gz WLESQXWLDQJCGA-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170296240 1082337448 /nfs/dbraw/zinc/33/74/48/1082337448.db2.gz FVQYFYBXJFYQDX-DZGCQCFKSA-N 1 0 322.405 3.083 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170296224 1082337760 /nfs/dbraw/zinc/33/77/60/1082337760.db2.gz FQMRKQPHAAHVOS-LBPRGKRZSA-N 1 0 316.357 3.030 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170299176 1082338613 /nfs/dbraw/zinc/33/86/13/1082338613.db2.gz ROHVLMUTXWACAD-SNVBAGLBSA-N 1 0 314.332 3.169 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]CCC(F)(F)F)c([N+](=O)[O-])c1 ZINC001170298180 1082338639 /nfs/dbraw/zinc/33/86/39/1082338639.db2.gz HNXQWQAKMPCMEN-VIFPVBQESA-N 1 0 306.284 3.076 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170299748 1082338758 /nfs/dbraw/zinc/33/87/58/1082338758.db2.gz WBVXDUSWQAQLET-FPMFFAJLSA-N 1 0 310.369 3.405 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC001170305559 1082340017 /nfs/dbraw/zinc/34/00/17/1082340017.db2.gz NDEKYROMCZOLBP-LRVUVFPRSA-N 1 0 322.405 3.082 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]CC2CCSCC2)c([N+](=O)[O-])c1 ZINC001170325789 1082346022 /nfs/dbraw/zinc/34/60/22/1082346022.db2.gz ADGAICZMCBQDCV-LBPRGKRZSA-N 1 0 324.446 3.267 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](C)C[C@H]2CF)c([N+](=O)[O-])c1 ZINC001170329073 1082348015 /nfs/dbraw/zinc/34/80/15/1082348015.db2.gz OBIGZSVSKAXNGU-SCRDCRAPSA-N 1 0 310.369 3.214 20 5 DGBDRO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170355877 1082350341 /nfs/dbraw/zinc/35/03/41/1082350341.db2.gz RYTUIIASEWTMCG-WOSRLPQWSA-N 1 0 322.405 3.034 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC001170348219 1082356533 /nfs/dbraw/zinc/35/65/33/1082356533.db2.gz VTFRFBCUWUDPFX-OPFPJEHXSA-N 1 0 304.390 3.409 20 5 DGBDRO C[NH+]1C(C)(C)CC(Nc2cnc(F)c([N+](=O)[O-])c2)CC1(C)C ZINC001170451020 1082475409 /nfs/dbraw/zinc/47/54/09/1082475409.db2.gz ILOJABCBQDBTCP-UHFFFAOYSA-N 1 0 310.373 3.192 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001170649456 1083046305 /nfs/dbraw/zinc/04/63/05/1083046305.db2.gz DGVSAVYUMCPIBS-GASCZTMLSA-N 1 0 319.449 3.397 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CCC12C[NH2+]C2 ZINC001218240940 1083087929 /nfs/dbraw/zinc/08/79/29/1083087929.db2.gz PQJLKLFKFPZTCE-LLVKDONJSA-N 1 0 303.145 3.032 20 5 DGBDRO C[C@@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C[NH2+]1 ZINC001218402786 1083173160 /nfs/dbraw/zinc/17/31/60/1083173160.db2.gz WEPKYFYZVHQDED-SFYZADRCSA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001218418516 1083184108 /nfs/dbraw/zinc/18/41/08/1083184108.db2.gz ZYGNDPWTIMXYFR-HQJQHLMTSA-N 1 0 305.161 3.278 20 5 DGBDRO CC(C)C(C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C(C)C ZINC001182203583 1083642711 /nfs/dbraw/zinc/64/27/11/1083642711.db2.gz LMPBXZSISLIYAC-UHFFFAOYSA-N 1 0 320.437 3.040 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CC[NH2+]C(C)(C)C ZINC001126119632 1083840266 /nfs/dbraw/zinc/84/02/66/1083840266.db2.gz ILGJSTDSXSPJEG-UHFFFAOYSA-N 1 0 314.769 3.240 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001185018177 1084312805 /nfs/dbraw/zinc/31/28/05/1084312805.db2.gz XRUCAZRDZKLGKS-GHMZBOCLSA-N 1 0 313.348 3.405 20 5 DGBDRO C[NH+](C)CCN(Cc1ccsc1)c1ccc([N+](=O)[O-])cc1F ZINC001186673077 1084682007 /nfs/dbraw/zinc/68/20/07/1084682007.db2.gz OSSDJOGMIYDCRI-UHFFFAOYSA-N 1 0 323.393 3.364 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC001186873540 1084712699 /nfs/dbraw/zinc/71/26/99/1084712699.db2.gz YNJFUVSIXAVAMG-KGLIPLIRSA-N 1 0 311.332 3.302 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC001186873542 1084712755 /nfs/dbraw/zinc/71/27/55/1084712755.db2.gz YNJFUVSIXAVAMG-ZIAGYGMSSA-N 1 0 311.332 3.302 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(OC(F)(F)C(F)F)c1 ZINC001225897041 1085729708 /nfs/dbraw/zinc/72/97/08/1085729708.db2.gz IEMJBHZRIQWIMN-SNVBAGLBSA-N 1 0 310.311 3.397 20 5 DGBDRO C[C@@H](CC[NH+](C)C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001648986265 1087068742 /nfs/dbraw/zinc/06/87/42/1087068742.db2.gz QRKLRAIXRVCEKY-ZDUSSCGKSA-N 1 0 317.389 3.285 20 5 DGBDRO C[C@H](c1ccccc1)[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001168285687 1087282042 /nfs/dbraw/zinc/28/20/42/1087282042.db2.gz WVIBOEBWRHATEY-CYBMUJFWSA-N 1 0 318.348 3.289 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1C[C@@H](C(=O)OC)C1(C)C ZINC001168337093 1087299321 /nfs/dbraw/zinc/29/93/21/1087299321.db2.gz PSFKPKZEXLJTBF-RDJZCZTQSA-N 1 0 319.469 3.283 20 5 DGBDRO C[C@@H](CCNc1cccc(Br)c1[N+](=O)[O-])[NH+](C)C ZINC000697877872 1087354275 /nfs/dbraw/zinc/35/42/75/1087354275.db2.gz PHFQBWRDNKFWRO-VIFPVBQESA-N 1 0 316.199 3.109 20 5 DGBDRO CCOC(=O)CCCCCCCCO[C@H](C)C[N+](C)(C)C ZINC001224910073 1087539182 /nfs/dbraw/zinc/53/91/82/1087539182.db2.gz WLAXZUAKQQUQRT-MRXNPFEDSA-N 1 0 302.479 3.392 20 5 DGBDRO CC(C)(C)C[N@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000690908424 1087562721 /nfs/dbraw/zinc/56/27/21/1087562721.db2.gz OONOBHDSXBLLEH-UHFFFAOYSA-N 1 0 300.786 3.089 20 5 DGBDRO CC(C)[N@@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC001158495094 1087867210 /nfs/dbraw/zinc/86/72/10/1087867210.db2.gz GJIWXILFAWHETL-ZDUSSCGKSA-N 1 0 314.389 3.062 20 5 DGBDRO CC[N@@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC001158561370 1087911911 /nfs/dbraw/zinc/91/19/11/1087911911.db2.gz AWFNMJLAPVGZGF-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[NH+](C)C1CN(C(=O)c2c3ccccc3cc3ccccc32)C1 ZINC001153488771 1088258252 /nfs/dbraw/zinc/25/82/52/1088258252.db2.gz GLFXESICLBPZRW-UHFFFAOYSA-N 1 0 304.393 3.379 20 5 DGBDRO COc1nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC001159392149 1088333107 /nfs/dbraw/zinc/33/31/07/1088333107.db2.gz XNFPSGLKMRAEFZ-UHFFFAOYSA-N 1 0 322.409 3.062 20 5 DGBDRO Nc1cc2nc3ccccc3nc2cc1NC=CC1CC[NH2+]CC1 ZINC001159522548 1088379264 /nfs/dbraw/zinc/37/92/64/1088379264.db2.gz COXVCTMCPQKUJN-JXMROGBWSA-N 1 0 319.412 3.290 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001159679473 1088442767 /nfs/dbraw/zinc/44/27/67/1088442767.db2.gz RRKPOECXRXXUTM-UHFFFAOYSA-N 1 0 313.357 3.035 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001307651508 1088522138 /nfs/dbraw/zinc/52/21/38/1088522138.db2.gz JEIFXHIFGWSGLR-ZDUSSCGKSA-N 1 0 302.378 3.067 20 5 DGBDRO O=[N+]([O-])c1cc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)ccc1F ZINC001159923622 1088554534 /nfs/dbraw/zinc/55/45/34/1088554534.db2.gz RARZCHGTXRJSDB-AWEZNQCLSA-N 1 0 317.320 3.218 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC001159922621 1088554590 /nfs/dbraw/zinc/55/45/90/1088554590.db2.gz LOJAHJBHYSTQPO-INIZCTEOSA-N 1 0 313.357 3.388 20 5 DGBDRO [NH3+]CCc1cc2ccccc2n1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001160125196 1088652330 /nfs/dbraw/zinc/65/23/30/1088652330.db2.gz XUONMBFTSICNSF-UHFFFAOYSA-N 1 0 316.748 3.088 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001160394668 1088781405 /nfs/dbraw/zinc/78/14/05/1088781405.db2.gz LSXMZNICNOSPIU-WBMJQRKESA-N 1 0 311.341 3.095 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001155026953 1088904579 /nfs/dbraw/zinc/90/45/79/1088904579.db2.gz XOJWOAYRXGMQQJ-GXTWGEPZSA-N 1 0 314.389 3.191 20 5 DGBDRO O=[N+]([O-])c1cccc2nc(NC[C@]3(F)CCCC[NH2+]C3)ccc21 ZINC001155116529 1088955150 /nfs/dbraw/zinc/95/51/50/1088955150.db2.gz KDVFHCVKGSLNFI-INIZCTEOSA-N 1 0 318.352 3.037 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155115943 1088955246 /nfs/dbraw/zinc/95/52/46/1088955246.db2.gz DFWVKPTVBLGPIX-MRXNPFEDSA-N 1 0 318.352 3.037 20 5 DGBDRO O=[N+]([O-])c1ccc2ccc(NC[C@@]3(F)CCCC[NH2+]C3)nc2c1 ZINC001155116685 1088956247 /nfs/dbraw/zinc/95/62/47/1088956247.db2.gz LQBFHZCHKMGVSK-MRXNPFEDSA-N 1 0 318.352 3.037 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@]2(F)CCCC[NH2+]C2)c2ccccc21 ZINC001155116930 1088958486 /nfs/dbraw/zinc/95/84/86/1088958486.db2.gz MODPAELAAMVMFN-INIZCTEOSA-N 1 0 318.352 3.037 20 5 DGBDRO CC(C)(C[NH3+])c1cn(-c2cc([N+](=O)[O-])ccn2)c2ccccc12 ZINC001160843195 1088990741 /nfs/dbraw/zinc/99/07/41/1088990741.db2.gz SGFPTRVZSVBGQD-UHFFFAOYSA-N 1 0 310.357 3.170 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001155298562 1089054739 /nfs/dbraw/zinc/05/47/39/1089054739.db2.gz VBIPTJOQVNAINN-CQSZACIVSA-N 1 0 320.352 3.165 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001155306023 1089059396 /nfs/dbraw/zinc/05/93/96/1089059396.db2.gz FWMQVKVQVIOHHY-CQSZACIVSA-N 1 0 320.352 3.165 20 5 DGBDRO [NH3+]CCc1cccc(Nc2ccc3cccc([N+](=O)[O-])c3n2)c1 ZINC001161079412 1089108762 /nfs/dbraw/zinc/10/87/62/1089108762.db2.gz YYWXXQZLMZUDEB-UHFFFAOYSA-N 1 0 308.341 3.388 20 5 DGBDRO [NH3+]CCc1cccc(Nc2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001161082317 1089109341 /nfs/dbraw/zinc/10/93/41/1089109341.db2.gz UHHDVXOLNDHAAR-UHFFFAOYSA-N 1 0 308.341 3.388 20 5 DGBDRO Cc1ccnc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC001161675312 1089339405 /nfs/dbraw/zinc/33/94/05/1089339405.db2.gz XNFLLRAAVJCXTH-HDJSIYSDSA-N 1 0 320.437 3.421 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001162456823 1089741480 /nfs/dbraw/zinc/74/14/80/1089741480.db2.gz ZBNKJXMHBRBBCD-OCCSQVGLSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC001162465230 1089747293 /nfs/dbraw/zinc/74/72/93/1089747293.db2.gz DZUHSEUKYXWQCG-CHWSQXEVSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001162765159 1089937632 /nfs/dbraw/zinc/93/76/32/1089937632.db2.gz DICDELBZAGXLDW-JTQLQIEISA-N 1 0 321.340 3.435 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001162841062 1089987363 /nfs/dbraw/zinc/98/73/63/1089987363.db2.gz CSLSSKZEKRIVSK-CYBMUJFWSA-N 1 0 320.352 3.165 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC001162855169 1089995009 /nfs/dbraw/zinc/99/50/09/1089995009.db2.gz ZJCITVCZTVLMMG-CYBMUJFWSA-N 1 0 320.352 3.165 20 5 DGBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ncnc(Cl)c2[N+](=O)[O-])c1 ZINC001162899247 1090013946 /nfs/dbraw/zinc/01/39/46/1090013946.db2.gz LQUFAOZHRVDJOO-MRVPVSSYSA-N 1 0 317.736 3.002 20 5 DGBDRO O=[N+]([O-])c1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc(C(F)(F)F)c1 ZINC001162984669 1090045974 /nfs/dbraw/zinc/04/59/74/1090045974.db2.gz PFMVYKCDXIOLKT-QWHCGFSZSA-N 1 0 315.295 3.310 20 5 DGBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162983408 1090046840 /nfs/dbraw/zinc/04/68/40/1090046840.db2.gz WDITZHZEBAMVSR-KOMYPQRHSA-N 1 0 307.781 3.284 20 5 DGBDRO CC1([NH+]2CCCC2)CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001157657875 1090059342 /nfs/dbraw/zinc/05/93/42/1090059342.db2.gz OONIRFUEMJOKPD-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001157739682 1090092734 /nfs/dbraw/zinc/09/27/34/1090092734.db2.gz DQQZEGLNLWRMHW-CABZTGNLSA-N 1 0 320.780 3.112 20 5 DGBDRO c1ccc2c(c1)nc(NC[C@]13C[NH2+]C[C@H]1COC3)c1ccccc21 ZINC001163158999 1090093902 /nfs/dbraw/zinc/09/39/02/1090093902.db2.gz DQFGDPRRMOYSNQ-XOBRGWDASA-N 1 0 319.408 3.036 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001157797768 1090113543 /nfs/dbraw/zinc/11/35/43/1090113543.db2.gz YLCVKFCOINZQHE-HOCLYGCPSA-N 1 0 314.389 3.428 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001157803914 1090115096 /nfs/dbraw/zinc/11/50/96/1090115096.db2.gz XOWCFBCYBTZBRU-HOTGVXAUSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(N[C@@H]2C[NH2+]Cc3ccsc32)c1F ZINC001163229471 1090126916 /nfs/dbraw/zinc/12/69/16/1090126916.db2.gz JNYGQMOCGSVFSW-GFCCVEGCSA-N 1 0 307.350 3.360 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163262625 1090133609 /nfs/dbraw/zinc/13/36/09/1090133609.db2.gz FAMWIJXLKBHTEO-MIMYLULJSA-N 1 0 315.295 3.024 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc(Cl)cc([N+](=O)[O-])n2)[C@H](C)C1 ZINC001163360856 1090162497 /nfs/dbraw/zinc/16/24/97/1090162497.db2.gz GGINQBNTAJPDOO-PWSUYJOCSA-N 1 0 312.801 3.174 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc(Cl)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC001163362763 1090164104 /nfs/dbraw/zinc/16/41/04/1090164104.db2.gz NYJWHHWYYIGDTF-MNOVXSKESA-N 1 0 312.801 3.174 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@H](C)C1 ZINC001163364584 1090165296 /nfs/dbraw/zinc/16/52/96/1090165296.db2.gz DRMGWNZMFIAAPU-YPMHNXCESA-N 1 0 317.393 3.002 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@H](C)C1 ZINC001163365449 1090165630 /nfs/dbraw/zinc/16/56/30/1090165630.db2.gz JBWDQPAOBAXTHG-VXGBXAGGSA-N 1 0 317.393 3.002 20 5 DGBDRO CC[N@@H+]1CCCN(c2ccc3ccc4cccnc4c3n2)CC1 ZINC001163771428 1090255285 /nfs/dbraw/zinc/25/52/85/1090255285.db2.gz VBVXLCSJQUOASW-UHFFFAOYSA-N 1 0 306.413 3.315 20 5 DGBDRO C[C@]1(C[NH3+])CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001164246874 1090385490 /nfs/dbraw/zinc/38/54/90/1090385490.db2.gz CWDWCRNFNZFHRE-KRWDZBQOSA-N 1 0 314.389 3.098 20 5 DGBDRO C[C@]1(C[NH3+])CCCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001164247780 1090385725 /nfs/dbraw/zinc/38/57/25/1090385725.db2.gz NYKUVEQMIMDGOF-KRWDZBQOSA-N 1 0 314.389 3.098 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[NH+]3CCC2CC3)c(C(F)F)c1 ZINC001164351908 1090409227 /nfs/dbraw/zinc/40/92/27/1090409227.db2.gz XBRSOTPQBROGGI-NSHDSACASA-N 1 0 311.332 3.286 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC001165289653 1090496979 /nfs/dbraw/zinc/49/69/79/1090496979.db2.gz HQPOBLKRWGMJNS-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1cc(Cl)nc(N2CCCCC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001165335078 1090507039 /nfs/dbraw/zinc/50/70/39/1090507039.db2.gz LUCGJTGQNXPYKH-UHFFFAOYSA-N 1 0 324.812 3.064 20 5 DGBDRO CCCC(C)(C)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001165582259 1090531519 /nfs/dbraw/zinc/53/15/19/1090531519.db2.gz QDXPHHSHDJFHPT-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001168600831 1090599153 /nfs/dbraw/zinc/59/91/53/1090599153.db2.gz FQFPNYHGLWYNSU-GJZGRUSLSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1nc(-n2c([C@H]3CCC[NH2+]3)cc3ccccc32)ncc1[N+](=O)[O-] ZINC001166657088 1090636796 /nfs/dbraw/zinc/63/67/96/1090636796.db2.gz WBARIJGKFKMPBF-CYBMUJFWSA-N 1 0 323.356 3.062 20 5 DGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)c1 ZINC001167004193 1090691798 /nfs/dbraw/zinc/69/17/98/1090691798.db2.gz HQIYRYMOMSKROY-OAGGEKHMSA-N 1 0 315.417 3.153 20 5 DGBDRO C[NH2+]Cc1cccc(Nc2nc(Cl)c(C)cc2[N+](=O)[O-])c1 ZINC001167033024 1090698697 /nfs/dbraw/zinc/69/86/97/1090698697.db2.gz PXPSJDFQZPUULW-UHFFFAOYSA-N 1 0 306.753 3.415 20 5 DGBDRO C[NH2+]Cc1cccc(Nc2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC001167033699 1090699269 /nfs/dbraw/zinc/69/92/69/1090699269.db2.gz PYXCTFALQCEXGH-UHFFFAOYSA-N 1 0 309.329 3.001 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1[N+](=O)[O-] ZINC001203408161 1090731672 /nfs/dbraw/zinc/73/16/72/1090731672.db2.gz HBADYBRGYXKCIJ-UHFFFAOYSA-N 1 0 312.329 3.176 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](COC)C(C)C ZINC001203809362 1090811061 /nfs/dbraw/zinc/81/10/61/1090811061.db2.gz FZCKFOYXUYXPDM-AWEZNQCLSA-N 1 0 310.394 3.002 20 5 DGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cccc([N+](=O)[O-])n1 ZINC001155989136 1092297269 /nfs/dbraw/zinc/29/72/69/1092297269.db2.gz AIJCVJJLHNOPAH-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO [NH3+]CCN(c1cccnc1)c1ncnc2cc3ccccc3cc21 ZINC001168834196 1092388803 /nfs/dbraw/zinc/38/88/03/1092388803.db2.gz HEBRCTDBDUZIFZ-UHFFFAOYSA-N 1 0 315.380 3.275 20 5 DGBDRO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978031 1092456346 /nfs/dbraw/zinc/45/63/46/1092456346.db2.gz NWBLFKAQIGVUHF-JYJNAYRXSA-N 1 0 306.406 3.106 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOc2cccc3ccccc32)C1 ZINC001168978212 1092457223 /nfs/dbraw/zinc/45/72/23/1092457223.db2.gz PVIQZMYXHGIYRO-ZBFHGGJFSA-N 1 0 314.385 3.254 20 5 DGBDRO Cc1ccc2c(CC[NH3+])cn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)c2c1 ZINC001168976019 1092457294 /nfs/dbraw/zinc/45/72/94/1092457294.db2.gz YGWCNLPMXNPEKY-HIFRSBDPSA-N 1 0 301.390 3.069 20 5 DGBDRO CC(C)Oc1ccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168978368 1092458469 /nfs/dbraw/zinc/45/84/69/1092458469.db2.gz RJJRGXKNGNBXIR-JKSUJKDBSA-N 1 0 306.406 3.051 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC001168983737 1092460977 /nfs/dbraw/zinc/46/09/77/1092460977.db2.gz LBXLXGLTCLLKBJ-TZMCWYRMSA-N 1 0 316.323 3.283 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2c(F)cccc2Cl)C1 ZINC001168958216 1092462225 /nfs/dbraw/zinc/46/22/25/1092462225.db2.gz LNZGJQPPSXLPTL-GHMZBOCLSA-N 1 0 300.761 3.057 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC001168984962 1092462771 /nfs/dbraw/zinc/46/27/71/1092462771.db2.gz BPOJZBZIEDXTAN-GXFFZTMASA-N 1 0 300.761 3.057 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccnc(Cl)c2)C2CC2)C1 ZINC001168984447 1092462829 /nfs/dbraw/zinc/46/28/29/1092462829.db2.gz OANKMJPKDKVBDJ-RIEGTJTDSA-N 1 0 309.797 3.221 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2c(F)ccc(Cl)c2F)C1 ZINC001168964771 1092466572 /nfs/dbraw/zinc/46/65/72/1092466572.db2.gz WBKYFCQCLCCOMQ-IUCAKERBSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001168967364 1092468080 /nfs/dbraw/zinc/46/80/80/1092468080.db2.gz PAKPXNMTISSKIS-RNCFNFMXSA-N 1 0 320.286 3.380 20 5 DGBDRO [NH3+]CCCc1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168966366 1092468134 /nfs/dbraw/zinc/46/81/34/1092468134.db2.gz IISJXQBSFDHASY-UKRRQHHQSA-N 1 0 301.390 3.151 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001168967118 1092468586 /nfs/dbraw/zinc/46/85/86/1092468586.db2.gz NIHNDMMJUXIAAE-WDEREUQCSA-N 1 0 320.286 3.380 20 5 DGBDRO Cc1ccc(F)c(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1Cl ZINC001168967643 1092470737 /nfs/dbraw/zinc/47/07/37/1092470737.db2.gz RTAKPTCHTNGQNF-QWRGUYRKSA-N 1 0 300.761 3.323 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001168970443 1092470797 /nfs/dbraw/zinc/47/07/97/1092470797.db2.gz HPMHIUVZYGADKL-BXKDBHETSA-N 1 0 320.286 3.380 20 5 DGBDRO Cc1ccc(CC2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168995157 1092476852 /nfs/dbraw/zinc/47/68/52/1092476852.db2.gz RWBIUODVAHUEEA-IRXDYDNUSA-N 1 0 302.418 3.353 20 5 DGBDRO CC(C)(C)Oc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168992335 1092477123 /nfs/dbraw/zinc/47/71/23/1092477123.db2.gz JLFWKUSGIFGOKE-GJZGRUSLSA-N 1 0 306.406 3.399 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3F)CC2)C1 ZINC001168998352 1092478876 /nfs/dbraw/zinc/47/88/76/1092478876.db2.gz LPAJTOYXTIPNMC-HIFRSBDPSA-N 1 0 306.381 3.183 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC001168997878 1092478905 /nfs/dbraw/zinc/47/89/05/1092478905.db2.gz GDVZAYNDUDJPEM-BXUZGUMPSA-N 1 0 319.336 3.016 20 5 DGBDRO COc1ccccc1CC(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998632 1092479641 /nfs/dbraw/zinc/47/96/41/1092479641.db2.gz PCTSJPPSAWMKPC-HIFRSBDPSA-N 1 0 306.406 3.051 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(Cl)cn2)C2CC2)C1 ZINC001169002315 1092480416 /nfs/dbraw/zinc/48/04/16/1092480416.db2.gz KQNAURCKGSKJQN-WDBKCZKBSA-N 1 0 309.797 3.221 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cncc(Cl)c2)C2CC2)C1 ZINC001168999924 1092481516 /nfs/dbraw/zinc/48/15/16/1092481516.db2.gz WHGXKVPOONSPTG-VCTAVGKDSA-N 1 0 309.797 3.221 20 5 DGBDRO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005914 1092483695 /nfs/dbraw/zinc/48/36/95/1092483695.db2.gz DHVRFRFHCTWKBR-DJIMGWMZSA-N 1 0 320.433 3.394 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CC(OCC4CC4)C3)CC2)C1 ZINC001169030375 1092494112 /nfs/dbraw/zinc/49/41/12/1092494112.db2.gz ZCSKQMPSEFQCMV-CVEARBPZSA-N 1 0 322.449 3.103 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](Sc3ccncc3)C2)C1 ZINC001169033312 1092497140 /nfs/dbraw/zinc/49/71/40/1092497140.db2.gz BWSCCILUALCDEZ-FMKPAKJESA-N 1 0 321.446 3.084 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001169037477 1092498490 /nfs/dbraw/zinc/49/84/90/1092498490.db2.gz RYEGCGQESFHRTB-WMZOPIPTSA-N 1 0 318.417 3.113 20 5 DGBDRO COc1ccccc1C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036781 1092498587 /nfs/dbraw/zinc/49/85/87/1092498587.db2.gz PYOAVAJSCNDNKN-HOCLYGCPSA-N 1 0 318.417 3.320 20 5 DGBDRO CC1(c2ccccc2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049635 1092509702 /nfs/dbraw/zinc/50/97/02/1092509702.db2.gz XCUHBXLAJMGTGM-NVXWUHKLSA-N 1 0 302.418 3.486 20 5 DGBDRO CC1(C)C[C@H](Nc2cnc(F)c([N+](=O)[O-])c2)C[C@@](C)(C[NH3+])C1 ZINC001169151194 1092564978 /nfs/dbraw/zinc/56/49/78/1092564978.db2.gz GUKUPDPDDUTOGY-XHDPSFHLSA-N 1 0 310.373 3.085 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1NCCc1cncc(OC)c1 ZINC001169265805 1092609020 /nfs/dbraw/zinc/60/90/20/1092609020.db2.gz OAAPWCDQMURACR-UHFFFAOYSA-N 1 0 314.453 3.341 20 5 DGBDRO C[C@H](C[N+](C)(C)C)OCc1cccc(C(=O)OC(C)(C)C)c1 ZINC001211338030 1093464654 /nfs/dbraw/zinc/46/46/54/1093464654.db2.gz PFSYSJAWQUUUIU-CQSZACIVSA-N 1 0 308.442 3.253 20 5 DGBDRO [NH3+]C[C@H](O)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001211417240 1093488462 /nfs/dbraw/zinc/48/84/62/1093488462.db2.gz CBRFAEPTHAQCBZ-INIZCTEOSA-N 1 0 305.337 3.035 20 5 DGBDRO CCc1onc(C)c1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119932642 1094312759 /nfs/dbraw/zinc/31/27/59/1094312759.db2.gz YRMDQMQDJYJZKA-UHFFFAOYSA-N 1 0 301.346 3.012 20 5 DGBDRO CCCCCCc1nnc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)o1 ZINC001217732864 1094485655 /nfs/dbraw/zinc/48/56/55/1094485655.db2.gz IBKUGRWPHOZGTE-CQSZACIVSA-N 1 0 318.377 3.343 20 5 DGBDRO C[C@H](OCCCCCCC[NH3+])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001217835099 1094502622 /nfs/dbraw/zinc/50/26/22/1094502622.db2.gz WSGXHYPYUDMCDK-LBPRGKRZSA-N 1 0 324.377 3.310 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217973977 1094537623 /nfs/dbraw/zinc/53/76/23/1094537623.db2.gz XTWACMIYVRQZDO-CABZTGNLSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)ccc1C(F)(F)F ZINC001217974182 1094537632 /nfs/dbraw/zinc/53/76/32/1094537632.db2.gz CWNSUIMTRUJJCW-CMPLNLGQSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217976265 1094538396 /nfs/dbraw/zinc/53/83/96/1094538396.db2.gz KWKXTGDUAOXHSI-CABZTGNLSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217978922 1094539787 /nfs/dbraw/zinc/53/97/87/1094539787.db2.gz FNKDYPNKKBJBEY-ONGXEEELSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001217994301 1094549199 /nfs/dbraw/zinc/54/91/99/1094549199.db2.gz ZAKSINWEAMVRCH-ZANVPECISA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]CC2)c(Cl)cc1Cl ZINC001217994512 1094549206 /nfs/dbraw/zinc/54/92/06/1094549206.db2.gz JJKYCUQGYGIFSE-MRVPVSSYSA-N 1 0 305.161 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001217997027 1094549467 /nfs/dbraw/zinc/54/94/67/1094549467.db2.gz PLQQOODOIOUZFJ-NSHDSACASA-N 1 0 304.268 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[NH2+]CC[C@H]2F)c(Cl)c1 ZINC001218015711 1094561311 /nfs/dbraw/zinc/56/13/11/1094561311.db2.gz MPLSWYWOLUKOSU-GHMZBOCLSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1CC[NH2+]CC[C@H]1F ZINC001218018147 1094563037 /nfs/dbraw/zinc/56/30/37/1094563037.db2.gz YROUTBUJAQTTSB-HIFRSBDPSA-N 1 0 304.321 3.217 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001218028647 1094568074 /nfs/dbraw/zinc/56/80/74/1094568074.db2.gz WBPHKICWEMYANV-TVQRCGJNSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc2c(c1)oc1ccccc1c2=O ZINC001218043937 1094574866 /nfs/dbraw/zinc/57/48/66/1094574866.db2.gz PBEDZPGWWYLFHT-KZULUSFZSA-N 1 0 309.365 3.323 20 5 DGBDRO C[C@@H]1C[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)CC[NH2+]1 ZINC001218063385 1094581444 /nfs/dbraw/zinc/58/14/44/1094581444.db2.gz YVVVYALNRTVFEW-SFYZADRCSA-N 1 0 305.161 3.421 20 5 DGBDRO c1ccc2c(c1)ccc1c2ccnc1OC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001218073506 1094587613 /nfs/dbraw/zinc/58/76/13/1094587613.db2.gz KOPBQBFBOPICES-HNNXBMFYSA-N 1 0 320.392 3.288 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218087880 1094593107 /nfs/dbraw/zinc/59/31/07/1094593107.db2.gz BMZKWRIQNTZFNQ-WFASDCNBSA-N 1 0 310.781 3.468 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(O[C@H]3CCC[C@]34CC[NH2+]C4)sc2c1 ZINC001218094752 1094597472 /nfs/dbraw/zinc/59/74/72/1094597472.db2.gz NNWCYECRFRNOEQ-DZGCQCFKSA-N 1 0 319.386 3.116 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(O[C@@H]3CCC[C@]34CC[NH2+]C4)nc21 ZINC001218096798 1094601753 /nfs/dbraw/zinc/60/17/53/1094601753.db2.gz SRHZZUSVWKLZSU-RHSMWYFYSA-N 1 0 313.357 3.054 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1OC1CC2(C1)CC[NH2+]CC2 ZINC001218102817 1094604278 /nfs/dbraw/zinc/60/42/78/1094604278.db2.gz GKFDORZNEWBCOV-UHFFFAOYSA-N 1 0 310.781 3.468 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@]23CC[NH2+]C3)c(C(F)(F)F)c1 ZINC001218114656 1094612262 /nfs/dbraw/zinc/61/22/62/1094612262.db2.gz KIVGEEDFXSKINR-QWHCGFSZSA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c(C(F)(F)F)c1 ZINC001218114655 1094612521 /nfs/dbraw/zinc/61/25/21/1094612521.db2.gz KIVGEEDFXSKINR-OLZOCXBDSA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218115959 1094613560 /nfs/dbraw/zinc/61/35/60/1094613560.db2.gz IISDNACPBMXNOA-DGCLKSJQSA-N 1 0 317.172 3.423 20 5 DGBDRO c1ccc2c(c1)nc(O[C@@H]1CC[C@@H]3[NH2+]CCO[C@@H]13)c1ccccc21 ZINC001218129541 1094622595 /nfs/dbraw/zinc/62/25/95/1094622595.db2.gz OCCNNNAAJKQBSE-IPMKNSEASA-N 1 0 320.392 3.286 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001218133708 1094624499 /nfs/dbraw/zinc/62/44/99/1094624499.db2.gz DKTGUTQXXUNPAB-AYMMMOKOSA-N 1 0 317.172 3.278 20 5 DGBDRO CC(C)(C)c1ccc(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001218137622 1094627407 /nfs/dbraw/zinc/62/74/07/1094627407.db2.gz QPRGNRQTJUQMRQ-DABQJJPHSA-N 1 0 304.390 3.269 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218144519 1094631736 /nfs/dbraw/zinc/63/17/36/1094631736.db2.gz KRAOVCBYUIJHKJ-VYUIOLGVSA-N 1 0 314.744 3.154 20 5 DGBDRO c1ccc2c(c1)nc(O[C@H]1C[NH2+][C@@H]3CCCO[C@@H]31)c1ccccc21 ZINC001218165066 1094640059 /nfs/dbraw/zinc/64/00/59/1094640059.db2.gz SQKYQWVABZXXHH-QYZOEREBSA-N 1 0 320.392 3.286 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CCC23C[NH2+]C3)cc1Cl ZINC001218240185 1094673231 /nfs/dbraw/zinc/67/32/31/1094673231.db2.gz LCXORLLGRWUZPC-NSHDSACASA-N 1 0 303.145 3.032 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3C[C@@H]4CC[NH2+][C@H]4C3)nc2c1 ZINC001218251134 1094682538 /nfs/dbraw/zinc/68/25/38/1094682538.db2.gz QRRSEJPKDXECBD-AHIWAGSCSA-N 1 0 305.381 3.302 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(OC3CCC4(C[NH2+]C4)CC3)sc2c1 ZINC001218264175 1094686628 /nfs/dbraw/zinc/68/66/28/1094686628.db2.gz QKISUZGKHLCSJV-UHFFFAOYSA-N 1 0 319.386 3.116 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)cc2)cc1 ZINC001218325777 1094717795 /nfs/dbraw/zinc/71/77/95/1094717795.db2.gz MYDATVVVCDFSKH-JCGIZDLHSA-N 1 0 310.353 3.249 20 5 DGBDRO Cn1cc(C[NH2+][C@@H](c2cccc(F)c2)C(C)(C)C)c([N+](=O)[O-])n1 ZINC001336776836 1094735031 /nfs/dbraw/zinc/73/50/31/1094735031.db2.gz VZPRWXYOHCEYHD-AWEZNQCLSA-N 1 0 320.368 3.344 20 5 DGBDRO C[C@@H](CC(C)(C)C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336801686 1094743809 /nfs/dbraw/zinc/74/38/09/1094743809.db2.gz ONJIFKQUHMYDPS-LBPRGKRZSA-N 1 0 307.394 3.338 20 5 DGBDRO C[C@@H]1CC[C@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C[NH2+]1 ZINC001218395540 1094748928 /nfs/dbraw/zinc/74/89/28/1094748928.db2.gz WMVSUBZVXXRQLZ-OCCSQVGLSA-N 1 0 309.365 3.466 20 5 DGBDRO C[C@@H]1CC[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218397925 1094750260 /nfs/dbraw/zinc/75/02/60/1094750260.db2.gz JHNIRNHFKGGTBT-SCZZXKLOSA-N 1 0 304.268 3.133 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC23CC3)c(Cl)cc1Cl ZINC001218398021 1094750796 /nfs/dbraw/zinc/75/07/96/1094750796.db2.gz AWRZSOJPPKJTAJ-LBPRGKRZSA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[NH2+]CCC23CC3)c(Cl)c1 ZINC001218405701 1094756719 /nfs/dbraw/zinc/75/67/19/1094756719.db2.gz PSELDHYQEUURID-LLVKDONJSA-N 1 0 317.172 3.423 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001218413006 1094762297 /nfs/dbraw/zinc/76/22/97/1094762297.db2.gz DKMCCDVBTPPSOI-CPCISQLKSA-N 1 0 305.161 3.278 20 5 DGBDRO CC1(C)C[C@H](Oc2nccc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC001218472507 1094795255 /nfs/dbraw/zinc/79/52/55/1094795255.db2.gz QOJVUMSMKAWLNQ-CYBMUJFWSA-N 1 0 301.346 3.052 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]Cc3ccccc32)c2ncccc12 ZINC001218485606 1094809959 /nfs/dbraw/zinc/80/99/59/1094809959.db2.gz DFYUISSMWXHIID-QGZVFWFLSA-N 1 0 321.336 3.366 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1C[C@H]2C[NH2+][C@@H]1C2 ZINC001218487802 1094815636 /nfs/dbraw/zinc/81/56/36/1094815636.db2.gz AKJJJXKZWXGEFR-WBHUJUFNSA-N 1 0 310.353 3.391 20 5 DGBDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979064 1094917347 /nfs/dbraw/zinc/91/73/47/1094917347.db2.gz HFXAXNRFTYKSRF-OCCSQVGLSA-N 1 0 320.396 3.110 20 5 DGBDRO Cc1cccc(NC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001338177607 1095211550 /nfs/dbraw/zinc/21/15/50/1095211550.db2.gz LRVCYWFZDSJOHI-UHFFFAOYSA-N 1 0 312.373 3.379 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001116030031 1095440949 /nfs/dbraw/zinc/44/09/49/1095440949.db2.gz ADWIXOLQEDROOU-NVXWUHKLSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[N@@H+](C4CCC4)C3)c2c1 ZINC001161177553 1095746191 /nfs/dbraw/zinc/74/61/91/1095746191.db2.gz SPAWHTAPOSETEL-ZDUSSCGKSA-N 1 0 312.373 3.182 20 5 DGBDRO C[C@H](CO)[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001117595555 1095785722 /nfs/dbraw/zinc/78/57/22/1095785722.db2.gz LTEKGBJKXVGZRN-SNVBAGLBSA-N 1 0 324.764 3.321 20 5 DGBDRO COc1ccc(-c2ccc(CO[C@@H](C)C[N+](C)(C)C)cn2)cc1 ZINC001222922881 1095790799 /nfs/dbraw/zinc/79/07/99/1095790799.db2.gz ACUDGZBGBWMCPC-HNNXBMFYSA-N 1 0 315.437 3.369 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccc(C(F)F)c2)c1 ZINC001118156568 1095948140 /nfs/dbraw/zinc/94/81/40/1095948140.db2.gz YBSLGPUNDKMKLH-HNNXBMFYSA-N 1 0 322.311 3.356 20 5 DGBDRO CC[NH+](CC)C1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC001118517048 1096026038 /nfs/dbraw/zinc/02/60/38/1096026038.db2.gz PPFXFUDZDNGWNC-UHFFFAOYSA-N 1 0 321.421 3.222 20 5 DGBDRO CC[N@@H+]1CC[C@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224204947 1096162541 /nfs/dbraw/zinc/16/25/41/1096162541.db2.gz WPDAOQGLWKHLFZ-AWEZNQCLSA-N 1 0 300.358 3.359 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC(CC2CCOCC2)C1 ZINC001119451065 1096204720 /nfs/dbraw/zinc/20/47/20/1096204720.db2.gz VGEQGLUFUHNBTO-UHFFFAOYSA-N 1 0 318.417 3.460 20 5 DGBDRO C[NH+](C)Cc1ccc(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001225330857 1096398346 /nfs/dbraw/zinc/39/83/46/1096398346.db2.gz ROYPYUPUXYTRIF-SFHVURJKSA-N 1 0 312.369 3.203 20 5 DGBDRO CCc1cc(O[C@@H](C)C[N+](C)(C)C)ccc1Br ZINC001225401522 1096418946 /nfs/dbraw/zinc/41/89/46/1096418946.db2.gz VFSISVSHXVNSAF-NSHDSACASA-N 1 0 301.248 3.485 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225916815 1096563538 /nfs/dbraw/zinc/56/35/38/1096563538.db2.gz ASUPSAGGGYCCMJ-NSHDSACASA-N 1 0 318.295 3.475 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001225953463 1096572351 /nfs/dbraw/zinc/57/23/51/1096572351.db2.gz LUDXHBRKGCVPGP-VIFPVBQESA-N 1 0 307.292 3.087 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225952328 1096572723 /nfs/dbraw/zinc/57/27/23/1096572723.db2.gz BRHIPPZMVFWJTJ-NSHDSACASA-N 1 0 318.295 3.475 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001225956631 1096573372 /nfs/dbraw/zinc/57/33/72/1096573372.db2.gz PCXASUJTGLYIMP-CYBMUJFWSA-N 1 0 316.279 3.087 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001226303649 1096657595 /nfs/dbraw/zinc/65/75/95/1096657595.db2.gz RTAJOEVSZCJHAW-SECBINFHSA-N 1 0 307.292 3.087 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001226364845 1096670957 /nfs/dbraw/zinc/67/09/57/1096670957.db2.gz UGMVARZKZKELKS-UHFFFAOYSA-N 1 0 313.785 3.285 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC1CC[NH+](C(C)(C)C)CC1 ZINC001226530897 1096714173 /nfs/dbraw/zinc/71/41/73/1096714173.db2.gz IAKJRIJMNDNBQN-UHFFFAOYSA-N 1 0 320.389 3.439 20 5 DGBDRO C[NH+](C)CC[C@@H](Oc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC001226708833 1096756318 /nfs/dbraw/zinc/75/63/18/1096756318.db2.gz DAWTVOYGXFMPFA-OAHLLOKOSA-N 1 0 301.346 3.062 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Br)c2ccccc21 ZINC001226725473 1096761902 /nfs/dbraw/zinc/76/19/02/1096761902.db2.gz FGZNYYWVWYWQLM-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO Cc1cnc(OC2CC(C)(C)[NH+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001227236022 1096901310 /nfs/dbraw/zinc/90/13/10/1096901310.db2.gz BICYNLGKDYLDRK-UHFFFAOYSA-N 1 0 307.394 3.328 20 5 DGBDRO CC(C)CCOC(=O)c1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001227583164 1096954909 /nfs/dbraw/zinc/95/49/09/1096954909.db2.gz KXJKUHGFDQQTAP-OAHLLOKOSA-N 1 0 308.442 3.363 20 5 DGBDRO COc1ccc(OC(F)(F)F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001227864825 1097003278 /nfs/dbraw/zinc/00/32/78/1097003278.db2.gz FHAXZYQGVIZAPX-JTQLQIEISA-N 1 0 308.320 3.067 20 5 DGBDRO CC(=O)Nc1cccc2ccc(O[C@@H](C)C[N+](C)(C)C)cc21 ZINC001228183489 1097069441 /nfs/dbraw/zinc/06/94/41/1097069441.db2.gz XELPTZXPHUXVHC-ZDUSSCGKSA-O 1 0 301.410 3.272 20 5 DGBDRO C[NH+](C)Cc1c(O[C@@H](C[N+](=O)[O-])C2CC2)ccc2ccccc21 ZINC001228440316 1097121799 /nfs/dbraw/zinc/12/17/99/1097121799.db2.gz BZVVUNLDLNZWCU-SFHVURJKSA-N 1 0 314.385 3.336 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228614599 1097153056 /nfs/dbraw/zinc/15/30/56/1097153056.db2.gz WEPVJEKDXASCIE-NSHDSACASA-N 1 0 300.305 3.125 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2cc(F)cc(F)c2[N+](=O)[O-])CC1 ZINC001228614130 1097153131 /nfs/dbraw/zinc/15/31/31/1097153131.db2.gz UCNLWKZGJMPAKQ-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO Cc1nc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cs1 ZINC001172896842 1097266790 /nfs/dbraw/zinc/26/67/90/1097266790.db2.gz SKXSWSKFJDLJHX-AWEZNQCLSA-N 1 0 317.414 3.397 20 5 DGBDRO CC(C)(C)C(=O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897936 1097267780 /nfs/dbraw/zinc/26/77/80/1097267780.db2.gz DYOHYOUYHDBZKF-CQSZACIVSA-N 1 0 304.390 3.047 20 5 DGBDRO Cc1cnc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)s1 ZINC001172900795 1097268514 /nfs/dbraw/zinc/26/85/14/1097268514.db2.gz FJGQNJOIGRKBMA-CQSZACIVSA-N 1 0 317.414 3.397 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cscn1)CC2 ZINC001172895651 1097278584 /nfs/dbraw/zinc/27/85/84/1097278584.db2.gz GWNXFUMWNLAJHM-CYBMUJFWSA-N 1 0 303.387 3.089 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCc3occc3C1)CC2 ZINC001172918887 1097280279 /nfs/dbraw/zinc/28/02/79/1097280279.db2.gz CWBZLUYKZPHNHQ-INIZCTEOSA-N 1 0 312.369 3.494 20 5 DGBDRO C[N@H+](Cc1cncs1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919792 1097280845 /nfs/dbraw/zinc/28/08/45/1097280845.db2.gz HOFMHHYPHMTYFI-CQSZACIVSA-N 1 0 317.414 3.431 20 5 DGBDRO CC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919725 1097280966 /nfs/dbraw/zinc/28/09/66/1097280966.db2.gz HGASYRHFVVPJFW-WMZOPIPTSA-N 1 0 316.401 3.286 20 5 DGBDRO C[N@H+](Cc1cccnc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909586 1097291523 /nfs/dbraw/zinc/29/15/23/1097291523.db2.gz TVBVYYZRJXEORH-QGZVFWFLSA-N 1 0 311.385 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CCO3)CC1)CC2 ZINC001172912901 1097292536 /nfs/dbraw/zinc/29/25/36/1097292536.db2.gz CRLSPAGXMBZCGT-INIZCTEOSA-N 1 0 316.401 3.097 20 5 DGBDRO CC[C@H](C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009424 1097306965 /nfs/dbraw/zinc/30/69/65/1097306965.db2.gz OSHIAVZXFFGJCM-JTQLQIEISA-N 1 0 313.348 3.230 20 5 DGBDRO O=[N+]([O-])C[C@H](Oc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC001229448258 1097323331 /nfs/dbraw/zinc/32/33/31/1097323331.db2.gz HCDDYWWIVWPSDL-KRWDZBQOSA-N 1 0 304.390 3.107 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2ccco2)c1F ZINC001173175353 1097356363 /nfs/dbraw/zinc/35/63/63/1097356363.db2.gz AQLQAVAXVZCAMI-LLVKDONJSA-N 1 0 322.336 3.099 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1F ZINC001173184050 1097356790 /nfs/dbraw/zinc/35/67/90/1097356790.db2.gz LDWXADCHMOSILP-VXGBXAGGSA-N 1 0 310.369 3.405 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2(C)CCC2)c1F ZINC001173180371 1097357215 /nfs/dbraw/zinc/35/72/15/1097357215.db2.gz VVUVBOSHOVMOPQ-LLVKDONJSA-N 1 0 310.369 3.453 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCC23CC3)c1F ZINC001173186830 1097357863 /nfs/dbraw/zinc/35/78/63/1097357863.db2.gz VNXFSGGRXKEQDO-LLVKDONJSA-N 1 0 308.353 3.302 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CC3CC(C3)C2)c1F ZINC001173193117 1097358126 /nfs/dbraw/zinc/35/81/26/1097358126.db2.gz QDBUOGLHCXQHIC-VOMCLLRMSA-N 1 0 308.353 3.015 20 5 DGBDRO C[NH+](C)Cc1ccccc1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001229698533 1097366455 /nfs/dbraw/zinc/36/64/55/1097366455.db2.gz CQNACLYJCZYVQE-KRWDZBQOSA-N 1 0 312.369 3.203 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COCc2ccccc21 ZINC001173215898 1097367677 /nfs/dbraw/zinc/36/76/77/1097367677.db2.gz AWFJTXMSGWEEIG-SCLBCKFNSA-N 1 0 312.369 3.387 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)C1CCCCC1 ZINC001173216577 1097368615 /nfs/dbraw/zinc/36/86/15/1097368615.db2.gz CYEZFWYLZLQDEA-DYVFJYSZSA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1ccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173218295 1097369798 /nfs/dbraw/zinc/36/97/98/1097369798.db2.gz ADEPMBDVJGWDID-KBXCAEBGSA-N 1 0 314.385 3.157 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ncoc2c1 ZINC001173220122 1097371047 /nfs/dbraw/zinc/37/10/47/1097371047.db2.gz UHFUMQCIPRHHIV-LBPRGKRZSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ncoc2c1 ZINC001173220121 1097371385 /nfs/dbraw/zinc/37/13/85/1097371385.db2.gz UHFUMQCIPRHHIV-GFCCVEGCSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001173221685 1097371876 /nfs/dbraw/zinc/37/18/76/1097371876.db2.gz LGYRWFYXXRPWFI-YOEHRIQHSA-N 1 0 304.390 3.171 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001173225497 1097375264 /nfs/dbraw/zinc/37/52/64/1097375264.db2.gz COKBSJVSRUOFRF-MAUKXSAKSA-N 1 0 317.433 3.086 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC001173230067 1097375770 /nfs/dbraw/zinc/37/57/70/1097375770.db2.gz QEUHIAVHGPRICG-NWDGAFQWSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2nccnc12 ZINC001173228940 1097375930 /nfs/dbraw/zinc/37/59/30/1097375930.db2.gz LJAWGAZBGDDBSG-ZDUSSCGKSA-N 1 0 322.368 3.259 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2c1cnn2C ZINC001173231366 1097376963 /nfs/dbraw/zinc/37/69/63/1097376963.db2.gz YPDWDGXZGZPAEZ-ZDUSSCGKSA-N 1 0 324.384 3.202 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)C1CCCCC1 ZINC001173233037 1097377093 /nfs/dbraw/zinc/37/70/93/1097377093.db2.gz GTUYBCZDJFMVIA-SUMWQHHRSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC(=O)OC(C)(C)C ZINC001173233117 1097377215 /nfs/dbraw/zinc/37/72/15/1097377215.db2.gz HBGKBANTCMKSOA-ZDUSSCGKSA-N 1 0 322.405 3.237 20 5 DGBDRO Cc1noc([C@@H]2CCC[N@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173233192 1097377412 /nfs/dbraw/zinc/37/74/12/1097377412.db2.gz JMNNKPLATJJXIV-NHYWBVRUSA-N 1 0 316.361 3.054 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001173235462 1097378214 /nfs/dbraw/zinc/37/82/14/1097378214.db2.gz XKOAFSMGKRPELD-RHSMWYFYSA-N 1 0 318.417 3.274 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC001173234356 1097378231 /nfs/dbraw/zinc/37/82/31/1097378231.db2.gz OKHMFSPDDZOJEQ-CVEARBPZSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001173234932 1097378381 /nfs/dbraw/zinc/37/83/81/1097378381.db2.gz UXGQHEINOBRBRD-RHSMWYFYSA-N 1 0 304.390 3.028 20 5 DGBDRO COC(=O)CCCCCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173209734 1097380195 /nfs/dbraw/zinc/38/01/95/1097380195.db2.gz FAZKVXYGPWKKBX-CQSZACIVSA-N 1 0 322.405 3.239 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1C[NH3+] ZINC001173214199 1097381488 /nfs/dbraw/zinc/38/14/88/1097381488.db2.gz MZTFMXFCBDPPGX-NSHDSACASA-N 1 0 303.337 3.236 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C)CC12CCCC2 ZINC001173238386 1097394411 /nfs/dbraw/zinc/39/44/11/1097394411.db2.gz RBUVGXFSYDZZOD-HNNXBMFYSA-N 1 0 317.433 3.086 20 5 DGBDRO CC(=O)c1cc(OC(F)(F)F)ccc1O[C@H](C)C[N+](C)(C)C ZINC001229902177 1097409700 /nfs/dbraw/zinc/40/97/00/1097409700.db2.gz FADCAGZEJNZMNC-SNVBAGLBSA-N 1 0 320.331 3.261 20 5 DGBDRO Cc1ccc(O[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230492494 1097498344 /nfs/dbraw/zinc/49/83/44/1097498344.db2.gz PUDGOJICFQJRKX-LBPRGKRZSA-N 1 0 323.349 3.063 20 5 DGBDRO COCCC[NH+]1CCC(Oc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC001230727834 1097567906 /nfs/dbraw/zinc/56/79/06/1097567906.db2.gz FTYBDHRFWHZVTQ-UHFFFAOYSA-N 1 0 322.405 3.091 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ncc2ccccc2c1Br ZINC001230853703 1097607414 /nfs/dbraw/zinc/60/74/14/1097607414.db2.gz MAVFHMXVCGMLLM-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231156854 1097683645 /nfs/dbraw/zinc/68/36/45/1097683645.db2.gz RXGUAEPCKDQJNW-CQSZACIVSA-N 1 0 315.373 3.395 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)CC1 ZINC001231157173 1097684338 /nfs/dbraw/zinc/68/43/38/1097684338.db2.gz AMJUXDKXMHROTA-CYBMUJFWSA-N 1 0 301.346 3.006 20 5 DGBDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219089 1097971128 /nfs/dbraw/zinc/97/11/28/1097971128.db2.gz QNBMLIHRCRXTGS-GJZGRUSLSA-N 1 0 321.424 3.376 20 5 DGBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccc3cccnc3c2n1 ZINC001232220132 1097971968 /nfs/dbraw/zinc/97/19/68/1097971968.db2.gz KVIZOEUUSSVDHE-CALCHBBNSA-N 1 0 317.392 3.479 20 5 DGBDRO CCO[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232226186 1097974655 /nfs/dbraw/zinc/97/46/55/1097974655.db2.gz SKIHDZRCBLNCLM-QGZVFWFLSA-N 1 0 307.397 3.394 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233698367 1098411520 /nfs/dbraw/zinc/41/15/20/1098411520.db2.gz LBZFDKGCGGZKBF-NSHDSACASA-N 1 0 300.305 3.125 20 5 DGBDRO C[NH+](C)C1CCC(Oc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001233837128 1098440318 /nfs/dbraw/zinc/44/03/18/1098440318.db2.gz UYXDOEVESAEPLV-UHFFFAOYSA-N 1 0 315.373 3.395 20 5 DGBDRO NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1c3ccccc3cc3ccccc31)C2 ZINC001277814418 1098445737 /nfs/dbraw/zinc/44/57/37/1098445737.db2.gz JTUBAINCWYNYBR-IIBYNOLFSA-N 1 0 316.404 3.300 20 5 DGBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001233892214 1098451018 /nfs/dbraw/zinc/45/10/18/1098451018.db2.gz WCIVAEFHEWCMCR-JTQLQIEISA-N 1 0 315.231 3.125 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCCC[C@@]23CCCOC3)cc1[N+](=O)[O-] ZINC001177015962 1098463164 /nfs/dbraw/zinc/46/31/64/1098463164.db2.gz UKLUQVKXFNKJMM-KRWDZBQOSA-N 1 0 304.390 3.438 20 5 DGBDRO CCOc1cc(Br)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234297082 1098531326 /nfs/dbraw/zinc/53/13/26/1098531326.db2.gz HHMFZNDYNIUZCP-NSHDSACASA-N 1 0 317.247 3.321 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc2ncccc2c1 ZINC001178605007 1098885368 /nfs/dbraw/zinc/88/53/68/1098885368.db2.gz BCAHWRYMBYWSCZ-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001179266642 1099053146 /nfs/dbraw/zinc/05/31/46/1099053146.db2.gz SWXLGHQVTITEGY-IRXDYDNUSA-N 1 0 304.390 3.341 20 5 DGBDRO CCC[N@H+](CC(C)C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001190650368 1100315585 /nfs/dbraw/zinc/31/55/85/1100315585.db2.gz CBVSJXSKUIAQSH-INIZCTEOSA-N 1 0 319.405 3.068 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1cccc(F)c1)CC2 ZINC001191521968 1100479023 /nfs/dbraw/zinc/47/90/23/1100479023.db2.gz XTEGRARBZHGYTN-UHFFFAOYSA-N 1 0 300.333 3.335 20 5 DGBDRO CC[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C ZINC001193603319 1100781622 /nfs/dbraw/zinc/78/16/22/1100781622.db2.gz BLSADXQOHXDQMW-VXGBXAGGSA-N 1 0 316.361 3.265 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001195037111 1101056501 /nfs/dbraw/zinc/05/65/01/1101056501.db2.gz LKWXGPVKLCGZJN-MLGOLLRUSA-N 1 0 319.405 3.480 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](C3CCCCC3)C2)c1 ZINC001196409726 1101303106 /nfs/dbraw/zinc/30/31/06/1101303106.db2.gz JBMRDICGQAWRCX-OAHLLOKOSA-N 1 0 306.410 3.084 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196907384 1101431937 /nfs/dbraw/zinc/43/19/37/1101431937.db2.gz MJWPNVGSMABDMG-CPUCHLNUSA-N 1 0 306.406 3.218 20 5 DGBDRO CCC(O)(CC)C(C)(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001197157446 1101491322 /nfs/dbraw/zinc/49/13/22/1101491322.db2.gz VOWCBSWOJIHMCK-UHFFFAOYSA-N 1 0 324.421 3.283 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCCC23CCCCCC3)n1 ZINC001198743048 1101965616 /nfs/dbraw/zinc/96/56/16/1101965616.db2.gz RMKOGBQFTZBHIM-UHFFFAOYSA-N 1 0 306.410 3.370 20 5 DGBDRO C[NH+](C)CCc1ccc(Nc2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001201224900 1102533649 /nfs/dbraw/zinc/53/36/49/1102533649.db2.gz VVBXXRCOYZRXAL-UHFFFAOYSA-N 1 0 301.346 3.148 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCNc2cccc(F)c2)c1 ZINC001201645088 1102684319 /nfs/dbraw/zinc/68/43/19/1102684319.db2.gz NERTYAGLGIFDHY-UHFFFAOYSA-N 1 0 303.337 3.326 20 5 DGBDRO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC001326519068 1103351688 /nfs/dbraw/zinc/35/16/88/1103351688.db2.gz ZIIQCFAVRPWNSM-UHFFFAOYSA-N 1 0 313.785 3.307 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC001327159765 1103562150 /nfs/dbraw/zinc/56/21/50/1103562150.db2.gz XKQDAIUGPGPKGC-CQSZACIVSA-N 1 0 324.352 3.042 20 5 DGBDRO CC(C)(C)[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC001327684186 1103703633 /nfs/dbraw/zinc/70/36/33/1103703633.db2.gz ASRWWIPCOQNPRF-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@H](O)CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001329388071 1104242346 /nfs/dbraw/zinc/24/23/46/1104242346.db2.gz PTFGXNLNBWJWQQ-JTQLQIEISA-N 1 0 324.764 3.369 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001330299992 1104533596 /nfs/dbraw/zinc/53/35/96/1104533596.db2.gz GADKWTBHMTUIOB-UTUOFQBUSA-N 1 0 312.316 3.127 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246463594 1104549449 /nfs/dbraw/zinc/54/94/49/1104549449.db2.gz WDBDMEIGSCTRJT-KBXCAEBGSA-N 1 0 317.433 3.038 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246463595 1104549829 /nfs/dbraw/zinc/54/98/29/1104549829.db2.gz WDBDMEIGSCTRJT-RDTXWAMCSA-N 1 0 317.433 3.038 20 5 DGBDRO CCCC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC001330733582 1104633681 /nfs/dbraw/zinc/63/36/81/1104633681.db2.gz YVKNZSNRKUZKTI-UHFFFAOYSA-N 1 0 320.389 3.473 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1-c1nc2ccccc2n1[C@@H]1CC[NH2+]C1 ZINC001247052672 1104787381 /nfs/dbraw/zinc/78/73/81/1104787381.db2.gz ORVHZJAUDLGUDL-CYBMUJFWSA-N 1 0 322.368 3.454 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1 ZINC001254472520 1106078426 /nfs/dbraw/zinc/07/84/26/1106078426.db2.gz BDVLNRGVFBEBIT-QWQRMKEZSA-N 1 0 315.417 3.342 20 5 DGBDRO COC(=O)CCCCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254532914 1106097375 /nfs/dbraw/zinc/09/73/75/1106097375.db2.gz SSNFKNIRYPUGHO-AWEZNQCLSA-N 1 0 322.405 3.239 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)c1ccccc1 ZINC001254537671 1106097756 /nfs/dbraw/zinc/09/77/56/1106097756.db2.gz FXDKSHPEDVVFLA-KSSFIOAISA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001254539694 1106098823 /nfs/dbraw/zinc/09/88/23/1106098823.db2.gz JOHNESYAACAXMI-MXASKKJJSA-N 1 0 317.433 3.131 20 5 DGBDRO CC(C)n1cnc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254546347 1106100385 /nfs/dbraw/zinc/10/03/85/1106100385.db2.gz RNCFGJXHJKIMIF-CYBMUJFWSA-N 1 0 302.378 3.093 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(CC(C)(C)C)C1 ZINC001254546563 1106100428 /nfs/dbraw/zinc/10/04/28/1106100428.db2.gz GYMHLLBVKVSSAH-HOCLYGCPSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncc(Cl)s1 ZINC001254545267 1106100875 /nfs/dbraw/zinc/10/08/75/1106100875.db2.gz BZACHNFHFHSBQN-VIFPVBQESA-N 1 0 311.794 3.426 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001254551698 1106101811 /nfs/dbraw/zinc/10/18/11/1106101811.db2.gz DHWJCFBNGLEQCI-CPUCHLNUSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001254562607 1106104073 /nfs/dbraw/zinc/10/40/73/1106104073.db2.gz NZXDGRSETRUMBH-SUMWQHHRSA-N 1 0 312.373 3.153 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001254563821 1106104346 /nfs/dbraw/zinc/10/43/46/1106104346.db2.gz DLNPKGLMOJHLND-PBHICJAKSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001254559773 1106104477 /nfs/dbraw/zinc/10/44/77/1106104477.db2.gz MOJATHJNQAGXME-PWSUYJOCSA-N 1 0 302.296 3.410 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C)(C)OC(C)(C)C1 ZINC001254566960 1106105223 /nfs/dbraw/zinc/10/52/23/1106105223.db2.gz VKLWIBIXHQVXNN-ZDUSSCGKSA-N 1 0 306.406 3.415 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC001254566107 1106105269 /nfs/dbraw/zinc/10/52/69/1106105269.db2.gz HVKDJJNNFDPWBX-CYBMUJFWSA-N 1 0 304.296 3.130 20 5 DGBDRO CC(C)[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001254569680 1106105725 /nfs/dbraw/zinc/10/57/25/1106105725.db2.gz JSYYRMWZVJPBSI-CQSZACIVSA-N 1 0 306.406 3.415 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)C2 ZINC001254572607 1106106764 /nfs/dbraw/zinc/10/67/64/1106106764.db2.gz QZUIUKOVCQINNH-LBPRGKRZSA-N 1 0 322.286 3.269 20 5 DGBDRO [NH3+]Cc1ccc2ccn([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)c2c1 ZINC001254572390 1106106966 /nfs/dbraw/zinc/10/69/66/1106106966.db2.gz MAGTWHKSQNPLJN-KRWDZBQOSA-N 1 0 307.353 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)C2 ZINC001254577219 1106107474 /nfs/dbraw/zinc/10/74/74/1106107474.db2.gz DHWWOZZILNEKID-WMZOPIPTSA-N 1 0 309.369 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)C2 ZINC001254577216 1106107584 /nfs/dbraw/zinc/10/75/84/1106107584.db2.gz DHWWOZZILNEKID-AEFFLSMTSA-N 1 0 309.369 3.198 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(O)cc1 ZINC001254577170 1106107640 /nfs/dbraw/zinc/10/76/40/1106107640.db2.gz CCYKFQRTDYXFCB-MLGOLLRUSA-N 1 0 312.369 3.161 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCc3sccc31)C2 ZINC001254588846 1106109150 /nfs/dbraw/zinc/10/91/50/1106109150.db2.gz IZSHMUIEFAOFMP-IUODEOHRSA-N 1 0 300.383 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCc3ccncc31)C2 ZINC001254588400 1106109237 /nfs/dbraw/zinc/10/92/37/1106109237.db2.gz FLIKJUGBRBXIJN-MAUKXSAKSA-N 1 0 309.369 3.124 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3[C@H](CCC3(F)F)C1)C2 ZINC001254593414 1106109908 /nfs/dbraw/zinc/10/99/08/1106109908.db2.gz MEGNYLLXWFLTKT-UGFHNGPFSA-N 1 0 308.328 3.039 20 5 DGBDRO CC(C)(Cc1cccnc1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589425 1106110018 /nfs/dbraw/zinc/11/00/18/1106110018.db2.gz OOSNSHUYRFNKHN-INIZCTEOSA-N 1 0 311.385 3.068 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(OC3CCC3)CC1)C2 ZINC001254593955 1106110021 /nfs/dbraw/zinc/11/00/21/1106110021.db2.gz OJEPRYSXICIQMM-INIZCTEOSA-N 1 0 316.401 3.096 20 5 DGBDRO COc1ccc(C[N@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254593976 1106110101 /nfs/dbraw/zinc/11/01/01/1106110101.db2.gz OLUKAMBWNNJHMR-QGZVFWFLSA-N 1 0 312.369 3.203 20 5 DGBDRO COc1cccc(C[N@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254599093 1106110680 /nfs/dbraw/zinc/11/06/80/1106110680.db2.gz KHWWGBDEYYGDKC-KRWDZBQOSA-N 1 0 312.369 3.203 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](Oc3ccccc3)C1)C2 ZINC001254600355 1106110737 /nfs/dbraw/zinc/11/07/37/1106110737.db2.gz PCRDERPFPFLKNI-MJGOQNOKSA-N 1 0 324.380 3.215 20 5 DGBDRO Cc1cc([C@@H]2CCC[N@@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254599270 1106110847 /nfs/dbraw/zinc/11/08/47/1106110847.db2.gz MZIGAQRPFFGANB-RDJZCZTQSA-N 1 0 313.357 3.196 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H](c3ccccn3)C1)C2 ZINC001254599464 1106110930 /nfs/dbraw/zinc/11/09/30/1106110930.db2.gz LTQRHEKHNTYCSC-YJBOKZPZSA-N 1 0 323.396 3.337 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001254600931 1106111781 /nfs/dbraw/zinc/11/17/81/1106111781.db2.gz SLYKOYBLSGMRIW-GXTWGEPZSA-N 1 0 314.307 3.336 20 5 DGBDRO COc1cc(N2CCC([N@H+](C)CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256094094 1106368125 /nfs/dbraw/zinc/36/81/25/1106368125.db2.gz GCVNOODKQFMCHA-UHFFFAOYSA-N 1 0 321.421 3.160 20 5 DGBDRO C[C@@H](CO)[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001261183247 1107356597 /nfs/dbraw/zinc/35/65/97/1107356597.db2.gz LTEKGBJKXVGZRN-JTQLQIEISA-N 1 0 324.764 3.321 20 5 DGBDRO Cc1cc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001261657611 1107496764 /nfs/dbraw/zinc/49/67/64/1107496764.db2.gz GWDRMTPHGZLVBF-YSCVYTRNSA-N 1 0 319.311 3.329 20 5 DGBDRO CCCC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC001322271818 1107604125 /nfs/dbraw/zinc/60/41/25/1107604125.db2.gz GSFQQJYXLRUNEJ-UHFFFAOYSA-N 1 0 302.378 3.414 20 5 DGBDRO C[NH+](C)Cc1cccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC001322341807 1107640905 /nfs/dbraw/zinc/64/09/05/1107640905.db2.gz NVWMKBAUKBJART-UHFFFAOYSA-N 1 0 324.340 3.373 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1N(C)C ZINC001319762923 1108626859 /nfs/dbraw/zinc/62/68/59/1108626859.db2.gz KCMSBXTUILBGHT-JQFCIGGWSA-N 1 0 305.422 3.427 20 5 DGBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])c(OC(C)C)n1)[NH+](C)C ZINC001306923977 1110264338 /nfs/dbraw/zinc/26/43/38/1110264338.db2.gz JRNAGKHBESLDHQ-CYBMUJFWSA-N 1 0 324.425 3.165 20 5 DGBDRO CCN(CCC[NH+](CC)CC)c1c(F)cc([N+](=O)[O-])cc1F ZINC001307096745 1111264891 /nfs/dbraw/zinc/26/48/91/1111264891.db2.gz JJBKNXIGFOOBJP-UHFFFAOYSA-N 1 0 315.364 3.431 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001307121047 1111268189 /nfs/dbraw/zinc/26/81/89/1111268189.db2.gz YOGXGBFHSYCRBI-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO COc1ccc(C[N@H+](CC[N+](=O)[O-])C2CCCCC2)cc1OC ZINC001307591356 1111317716 /nfs/dbraw/zinc/31/77/16/1111317716.db2.gz MERFLGITBGMTAE-UHFFFAOYSA-N 1 0 322.405 3.115 20 5 DGBDRO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC001307703581 1111328930 /nfs/dbraw/zinc/32/89/30/1111328930.db2.gz VUTNWVXNXLGLBQ-FRRDWIJNSA-N 1 0 305.378 3.042 20 5 DGBDRO CC1(C2CC2)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001307811137 1111342389 /nfs/dbraw/zinc/34/23/89/1111342389.db2.gz RZVAFHPDJBVHGV-UHFFFAOYSA-N 1 0 304.390 3.486 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3ccco3)CC2)c1 ZINC001307913884 1111354836 /nfs/dbraw/zinc/35/48/36/1111354836.db2.gz HIDNKUGQCRETAS-UHFFFAOYSA-N 1 0 316.357 3.446 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001308120021 1111381480 /nfs/dbraw/zinc/38/14/80/1111381480.db2.gz TWWJNUBXGRHJQB-PZMTTYODSA-N 1 0 314.385 3.247 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001308136780 1111383444 /nfs/dbraw/zinc/38/34/44/1111383444.db2.gz VLOXZIRIUQZFMP-CYBMUJFWSA-N 1 0 308.378 3.247 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCOCC23CCCC3)cc1[N+](=O)[O-] ZINC001308166428 1111389014 /nfs/dbraw/zinc/38/90/14/1111389014.db2.gz LCZBFOHQWJESRU-INIZCTEOSA-N 1 0 304.390 3.342 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](C(C)C)[NH+]1CCCC1 ZINC001308193193 1111394739 /nfs/dbraw/zinc/39/47/39/1111394739.db2.gz AUCKUUHSQVUGOI-SFHVURJKSA-N 1 0 319.449 3.422 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](CO)CC2CCCC2)cccc1[N+](=O)[O-] ZINC001308385688 1111424283 /nfs/dbraw/zinc/42/42/83/1111424283.db2.gz BOLWTISCKRSKLP-OAHLLOKOSA-N 1 0 306.406 3.182 20 5 DGBDRO COc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1F ZINC001308390146 1111424336 /nfs/dbraw/zinc/42/43/36/1111424336.db2.gz MLZAVNVZSLVYSP-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001308462581 1111431613 /nfs/dbraw/zinc/43/16/13/1111431613.db2.gz LYWANLLBLOUJEO-AWEZNQCLSA-N 1 0 305.422 3.174 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2CCCC3(CCC3)O2)cccc1[N+](=O)[O-] ZINC001308537860 1111439399 /nfs/dbraw/zinc/43/93/99/1111439399.db2.gz DZFZVWHLOFPRQZ-OAHLLOKOSA-N 1 0 304.390 3.485 20 5 DGBDRO CC[NH+](CC)C[C@H]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001308593371 1111448541 /nfs/dbraw/zinc/44/85/41/1111448541.db2.gz HPEHWQGRJAWRDJ-MRXNPFEDSA-N 1 0 319.449 3.375 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC001308754282 1111470969 /nfs/dbraw/zinc/47/09/69/1111470969.db2.gz JBRHDHRTKULZIC-AAEUAGOBSA-N 1 0 308.378 3.320 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001311322457 1111595437 /nfs/dbraw/zinc/59/54/37/1111595437.db2.gz IRDZFKIVBYHUMW-UHFFFAOYSA-N 1 0 322.409 3.145 20 5 DGBDRO Cn1cccc1[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000076613400 185027067 /nfs/dbraw/zinc/02/70/67/185027067.db2.gz WQOAXJARAKLZAV-OAHLLOKOSA-N 1 0 315.373 3.149 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000278492151 214189497 /nfs/dbraw/zinc/18/94/97/214189497.db2.gz LMOKLIYCZGPEJZ-MRXNPFEDSA-N 1 0 320.776 3.380 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCCOC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000163498056 197634034 /nfs/dbraw/zinc/63/40/34/197634034.db2.gz AMJDHEFELSUGQU-LSDHHAIUSA-N 1 0 322.405 3.140 20 5 DGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NCc1csc([N+](=O)[O-])c1 ZINC000309648034 231101209 /nfs/dbraw/zinc/10/12/09/231101209.db2.gz DOOIRFJXDCQTRH-CYBMUJFWSA-N 1 0 319.430 3.266 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000316650800 231151420 /nfs/dbraw/zinc/15/14/20/231151420.db2.gz WTDXPTQMPZWRQK-ZDUSSCGKSA-N 1 0 307.394 3.280 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000314890233 231134838 /nfs/dbraw/zinc/13/48/38/231134838.db2.gz GRYUUNWSRFFZDB-NWDGAFQWSA-N 1 0 312.797 3.137 20 5 DGBDRO COCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000318275782 231167646 /nfs/dbraw/zinc/16/76/46/231167646.db2.gz LYWXPJYXHRGHFX-UHFFFAOYSA-N 1 0 300.358 3.339 20 5 DGBDRO COc1ccc(F)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000319274902 231181099 /nfs/dbraw/zinc/18/10/99/231181099.db2.gz GEBRADFRRVETHH-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO Cc1cc(NC[C@](C)(O)C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000319357851 231183822 /nfs/dbraw/zinc/18/38/22/231183822.db2.gz AMAAVIGGMPOYNU-INIZCTEOSA-N 1 0 301.346 3.024 20 5 DGBDRO Cc1c(C[NH2+]Cc2cnc(C(C)(C)C)nc2)cccc1[N+](=O)[O-] ZINC000323754228 231218563 /nfs/dbraw/zinc/21/85/63/231218563.db2.gz FDLDEICEUYGZKR-UHFFFAOYSA-N 1 0 314.389 3.281 20 5 DGBDRO Cc1cc(N[C@H](C)Cn2cccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272843448 210240517 /nfs/dbraw/zinc/24/05/17/210240517.db2.gz NLPZJOKMLPMFEZ-GFCCVEGCSA-N 1 0 311.345 3.149 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000090085672 185281371 /nfs/dbraw/zinc/28/13/71/185281371.db2.gz HWSVZCUUNVVJBD-CHWSQXEVSA-N 1 0 324.421 3.441 20 5 DGBDRO CSC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000090112305 185282618 /nfs/dbraw/zinc/28/26/18/185282618.db2.gz HOVBQYJMNUGUOM-ZDUSSCGKSA-N 1 0 324.446 3.466 20 5 DGBDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090217352 185286865 /nfs/dbraw/zinc/28/68/65/185286865.db2.gz NZEWKUVTMWRUHS-ZIAGYGMSSA-N 1 0 321.421 3.201 20 5 DGBDRO CC(C)c1ccc(CN2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000092938578 185349783 /nfs/dbraw/zinc/34/97/83/185349783.db2.gz WGMYAKQQEBMPFO-OAHLLOKOSA-N 1 0 305.422 3.244 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000168973721 197731752 /nfs/dbraw/zinc/73/17/52/197731752.db2.gz GUSSAELDFIGRHR-XHSDSOJGSA-N 1 0 302.374 3.032 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000181554223 199317152 /nfs/dbraw/zinc/31/71/52/199317152.db2.gz SACGPUOBXWQJFS-LBPRGKRZSA-N 1 0 302.330 3.030 20 5 DGBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])c2ncccc12)C1CC1 ZINC000413346155 529884337 /nfs/dbraw/zinc/88/43/37/529884337.db2.gz HNDVVLJOWQKMNW-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cc(F)cc(F)c1 ZINC000444694890 529928286 /nfs/dbraw/zinc/92/82/86/529928286.db2.gz KNNJETVTTTUZOC-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO C[N@H+](Cc1ccccc1)CC(C)(C)Nc1ncccc1[N+](=O)[O-] ZINC000301799935 529999813 /nfs/dbraw/zinc/99/98/13/529999813.db2.gz BSHDRBSSMSOUBY-UHFFFAOYSA-N 1 0 314.389 3.312 20 5 DGBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000293005930 530065545 /nfs/dbraw/zinc/06/55/45/530065545.db2.gz PFGOGLMWXMKESH-INIZCTEOSA-N 1 0 323.824 3.166 20 5 DGBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000292940817 530059908 /nfs/dbraw/zinc/05/99/08/530059908.db2.gz JVYCMALOLGDVST-MRXNPFEDSA-N 1 0 323.824 3.166 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000104151695 432014475 /nfs/dbraw/zinc/01/44/75/432014475.db2.gz RLKHIVVXMWCZOK-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000272675233 210079260 /nfs/dbraw/zinc/07/92/60/210079260.db2.gz UMUMSBGGJISXID-PQMVAPIISA-N 1 0 304.390 3.091 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC1(C)C ZINC000286852832 219195653 /nfs/dbraw/zinc/19/56/53/219195653.db2.gz AMUIXIRCTYPNTL-BXUZGUMPSA-N 1 0 305.378 3.090 20 5 DGBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000279665854 215043870 /nfs/dbraw/zinc/04/38/70/215043870.db2.gz DXSAFBVLNYUAIQ-GUYCJALGSA-N 1 0 300.358 3.461 20 5 DGBDRO Cc1ncc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000123645858 185829281 /nfs/dbraw/zinc/82/92/81/185829281.db2.gz MWHXEXINSLMOMJ-OAHLLOKOSA-N 1 0 317.414 3.471 20 5 DGBDRO CCC(=O)c1ccc(NC2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000279980391 215288026 /nfs/dbraw/zinc/28/80/26/215288026.db2.gz FLMWKTJLETVEBA-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000152622174 186090676 /nfs/dbraw/zinc/09/06/76/186090676.db2.gz DCQLHJHJGMOKDA-HIFRSBDPSA-N 1 0 322.405 3.117 20 5 DGBDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000155793996 186113255 /nfs/dbraw/zinc/11/32/55/186113255.db2.gz DAIMAVQFVPWDST-GHMZBOCLSA-N 1 0 300.362 3.413 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000181920823 186219159 /nfs/dbraw/zinc/21/91/59/186219159.db2.gz GILXJIIXGUUMDB-IMJJTQAJSA-N 1 0 302.374 3.032 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000072561071 191194389 /nfs/dbraw/zinc/19/43/89/191194389.db2.gz ZFZXFVOYNWCKLH-LBPRGKRZSA-N 1 0 317.389 3.105 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H]1C ZINC000072875163 191247399 /nfs/dbraw/zinc/24/73/99/191247399.db2.gz JTWGGZOIRVTREN-MNOVXSKESA-N 1 0 302.334 3.190 20 5 DGBDRO CC[C@@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000173502192 198221265 /nfs/dbraw/zinc/22/12/65/198221265.db2.gz JZPZZFRQKZKNRE-OAHLLOKOSA-N 1 0 321.402 3.345 20 5 DGBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000174815194 198388377 /nfs/dbraw/zinc/38/83/77/198388377.db2.gz XEBNPUPJKBMRSF-AWEZNQCLSA-N 1 0 308.769 3.186 20 5 DGBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182173242 199398840 /nfs/dbraw/zinc/39/88/40/199398840.db2.gz CSSNGIVAEWXHPO-LBPRGKRZSA-N 1 0 312.797 3.497 20 5 DGBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000183681048 199630343 /nfs/dbraw/zinc/63/03/43/199630343.db2.gz RZPONUVMGAGNQE-ZDUSSCGKSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000180859388 199220429 /nfs/dbraw/zinc/22/04/29/199220429.db2.gz PGYYBIZBSOXLNB-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000449666959 240355997 /nfs/dbraw/zinc/35/59/97/240355997.db2.gz IHNGWGBRUFKTEV-FWPCIQOSSA-N 1 0 300.362 3.175 20 5 DGBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000170908786 432087120 /nfs/dbraw/zinc/08/71/20/432087120.db2.gz LNENXKOJHQMRDI-UHFFFAOYSA-N 1 0 301.346 3.277 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426456225 237972669 /nfs/dbraw/zinc/97/26/69/237972669.db2.gz DBLNPKJHOYLXJO-CZUORRHYSA-N 1 0 317.389 3.106 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000428385919 238018609 /nfs/dbraw/zinc/01/86/09/238018609.db2.gz CBVBLXDIDCOEDA-SVEBXFOSSA-N 1 0 316.401 3.499 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000429554747 238054180 /nfs/dbraw/zinc/05/41/80/238054180.db2.gz KPTDJSRVXTUTHW-LBPRGKRZSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000429703629 238058531 /nfs/dbraw/zinc/05/85/31/238058531.db2.gz RTYNRGPJXFVANK-HFBAOOFYSA-N 1 0 320.364 3.171 20 5 DGBDRO O=[N+]([O-])c1cccc2c(NC3CC[NH+](C4CC4)CC3)ccnc21 ZINC000432311336 238124922 /nfs/dbraw/zinc/12/49/22/238124922.db2.gz KXNSBQPSMGPQLI-UHFFFAOYSA-N 1 0 312.373 3.182 20 5 DGBDRO COC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000433202768 238150447 /nfs/dbraw/zinc/15/04/47/238150447.db2.gz TZXPOKHHKUMZAI-DOTOQJQBSA-N 1 0 322.405 3.002 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H]1CCOC1 ZINC000449686885 240368660 /nfs/dbraw/zinc/36/86/60/240368660.db2.gz YTPYRLCHNTZQSR-GJZGRUSLSA-N 1 0 306.406 3.322 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[NH2+]CC2)s1 ZINC000435376359 238295430 /nfs/dbraw/zinc/29/54/30/238295430.db2.gz ZDVPLQLYTHCTFS-UHFFFAOYSA-N 1 0 317.414 3.119 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)c(Cl)c1 ZINC000292670405 223193589 /nfs/dbraw/zinc/19/35/89/223193589.db2.gz JCZLNCTYOMFMIW-AWEZNQCLSA-N 1 0 310.781 3.128 20 5 DGBDRO Cc1ccc([C@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000193397275 201044650 /nfs/dbraw/zinc/04/46/50/201044650.db2.gz IBPRKOVVSIOVGK-KRWDZBQOSA-N 1 0 314.389 3.200 20 5 DGBDRO CSC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000193828111 201130096 /nfs/dbraw/zinc/13/00/96/201130096.db2.gz IROAOSUOUCEMBM-CQSZACIVSA-N 1 0 306.431 3.401 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCCC1 ZINC000194056967 201171977 /nfs/dbraw/zinc/17/19/77/201171977.db2.gz YZSIFEBXSNICCT-ZIAGYGMSSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000292884109 223290499 /nfs/dbraw/zinc/29/04/99/223290499.db2.gz CYVRNRINCCUZPS-LLVKDONJSA-N 1 0 324.331 3.216 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000443962801 239242244 /nfs/dbraw/zinc/24/22/44/239242244.db2.gz MWTHQARECXADEE-UHFFFAOYSA-N 1 0 321.421 3.275 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000449068746 240000663 /nfs/dbraw/zinc/00/06/63/240000663.db2.gz CJQFRZTVHRBWFS-CJNGLKHVSA-N 1 0 312.369 3.119 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn2ccsc2n1 ZINC000449100595 240017722 /nfs/dbraw/zinc/01/77/22/240017722.db2.gz CFZFCKAAEZZUAF-NSHDSACASA-N 1 0 316.386 3.025 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOC1CCCCC1 ZINC000449105373 240019699 /nfs/dbraw/zinc/01/96/99/240019699.db2.gz YPQXKTZXPLGVEH-CQSZACIVSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000449123206 240027731 /nfs/dbraw/zinc/02/77/31/240027731.db2.gz BNZFODZLUVYBPW-GDBMZVCRSA-N 1 0 317.433 3.132 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N(C)C)c1 ZINC000449126540 240029841 /nfs/dbraw/zinc/02/98/41/240029841.db2.gz MICQIZDMLCCLDC-CQSZACIVSA-N 1 0 313.401 3.382 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000449131838 240030436 /nfs/dbraw/zinc/03/04/36/240030436.db2.gz PXXDFDZHJHHOOE-UONOGXRCSA-N 1 0 314.385 3.452 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCc1ccccc1 ZINC000449173056 240050800 /nfs/dbraw/zinc/05/08/00/240050800.db2.gz DYAMJAOQANPMGI-HNNXBMFYSA-N 1 0 314.385 3.332 20 5 DGBDRO COc1cc(F)cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000449209884 240070194 /nfs/dbraw/zinc/07/01/94/240070194.db2.gz RAJIKUPVZWBODB-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO CSc1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000449225581 240077508 /nfs/dbraw/zinc/07/75/08/240077508.db2.gz KUJSCSWFDJUGOT-GFCCVEGCSA-N 1 0 317.414 3.433 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000449246506 240089759 /nfs/dbraw/zinc/08/97/59/240089759.db2.gz DPIHFNGKAGBNDH-PVUWLOKVSA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000449246508 240090337 /nfs/dbraw/zinc/09/03/37/240090337.db2.gz DPIHFNGKAGBNDH-VMGRFDJRSA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000449349300 240149437 /nfs/dbraw/zinc/14/94/37/240149437.db2.gz WSXACGOBJZPIQS-LBPRGKRZSA-N 1 0 323.824 3.164 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000449324670 240132294 /nfs/dbraw/zinc/13/22/94/240132294.db2.gz GTUNDGRPYDJDJQ-YDISMWLMSA-N 1 0 308.381 3.454 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COc2ccccc21 ZINC000449327924 240133468 /nfs/dbraw/zinc/13/34/68/240133468.db2.gz GXEWQKDKIHBZNE-UKRRQHHQSA-N 1 0 312.369 3.292 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC3CCOCC3)C2)cc1 ZINC000449495412 240246690 /nfs/dbraw/zinc/24/66/90/240246690.db2.gz DBRILWLTKVCHHB-MRXNPFEDSA-N 1 0 304.390 3.201 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)CO ZINC000449415089 240189964 /nfs/dbraw/zinc/18/99/64/240189964.db2.gz NDAZIXVQDVJWMP-UHFFFAOYSA-N 1 0 318.373 3.305 20 5 DGBDRO COc1cc(C[NH2+]CC(C)(C)C2CCC2)c([N+](=O)[O-])cc1O ZINC000449487116 240238753 /nfs/dbraw/zinc/23/87/53/240238753.db2.gz WWHFHAHDQWNAQM-UHFFFAOYSA-N 1 0 308.378 3.225 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3(CO)CC3)o2)cc1 ZINC000449576514 240298751 /nfs/dbraw/zinc/29/87/51/240298751.db2.gz ALBJYEHNZVGAPA-UHFFFAOYSA-N 1 0 316.357 3.107 20 5 DGBDRO CC[C@@H]1C[N@H+](CC)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449566974 240292017 /nfs/dbraw/zinc/29/20/17/240292017.db2.gz SPDIACPSSRSZAR-MNDMWVCDSA-N 1 0 303.406 3.024 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000449620128 240323871 /nfs/dbraw/zinc/32/38/71/240323871.db2.gz SNGWTGYEWSWITJ-RKCSUWQLSA-N 1 0 318.417 3.481 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@@H]1CCOC1 ZINC000449686887 240369418 /nfs/dbraw/zinc/36/94/18/240369418.db2.gz YTPYRLCHNTZQSR-LSDHHAIUSA-N 1 0 306.406 3.322 20 5 DGBDRO CC(C)OCCOC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449724560 240384251 /nfs/dbraw/zinc/38/42/51/240384251.db2.gz HNNRCKZNNOXNIO-UHFFFAOYSA-N 1 0 322.405 3.001 20 5 DGBDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000449729313 240386322 /nfs/dbraw/zinc/38/63/22/240386322.db2.gz AJTAVBLDLPXLDX-MRXNPFEDSA-N 1 0 322.430 3.323 20 5 DGBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000091399975 193050803 /nfs/dbraw/zinc/05/08/03/193050803.db2.gz OBGSFBODLUVKLT-OAHLLOKOSA-N 1 0 322.796 3.432 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCOC3CCC3)C2)cc1 ZINC000451549583 241169148 /nfs/dbraw/zinc/16/91/48/241169148.db2.gz PNTDWSIINKNLHR-OAHLLOKOSA-N 1 0 304.390 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCc3ccncc3)C2)cc1 ZINC000451545131 241169516 /nfs/dbraw/zinc/16/95/16/241169516.db2.gz GITLFKDABMKYNU-QGZVFWFLSA-N 1 0 311.385 3.412 20 5 DGBDRO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000451554146 241170568 /nfs/dbraw/zinc/17/05/68/241170568.db2.gz ZJMKPBKHCFCSHV-UKPHBRMFSA-N 1 0 304.390 3.342 20 5 DGBDRO CCOC(=O)CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552620 241171096 /nfs/dbraw/zinc/17/10/96/241171096.db2.gz WTDDHNOUOZXNFK-HNNXBMFYSA-N 1 0 320.389 3.118 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451965644 241285181 /nfs/dbraw/zinc/28/51/81/241285181.db2.gz MYRFKPCSIXMQDJ-INIZCTEOSA-N 1 0 322.430 3.193 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCC1CCCC1 ZINC000453413261 241774821 /nfs/dbraw/zinc/77/48/21/241774821.db2.gz YFWOKZMFVYETPR-AWEZNQCLSA-N 1 0 306.406 3.322 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000271767636 209197231 /nfs/dbraw/zinc/19/72/31/209197231.db2.gz NJGBGPZQUOOLPA-BONVTDFDSA-N 1 0 322.311 3.257 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000092756822 284007815 /nfs/dbraw/zinc/00/78/15/284007815.db2.gz BUFRLYAMIMFOAQ-MRXNPFEDSA-N 1 0 317.433 3.388 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459780915 243499530 /nfs/dbraw/zinc/49/95/30/243499530.db2.gz LWQUXNYHLDLQLA-KEMBLGFASA-N 1 0 302.374 3.155 20 5 DGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000463032582 243704063 /nfs/dbraw/zinc/70/40/63/243704063.db2.gz YTDIEPNCFBWXAC-HZPDHXFCSA-N 1 0 306.406 3.319 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC(C)(C)CO ZINC000468637099 244055638 /nfs/dbraw/zinc/05/56/38/244055638.db2.gz GOSDERNUAGRYQW-UVTDQMKNSA-N 1 0 306.406 3.386 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cscn1 ZINC000468629822 244055922 /nfs/dbraw/zinc/05/59/22/244055922.db2.gz JOGHAPQRGCVCMJ-GHXNOFRVSA-N 1 0 303.387 3.287 20 5 DGBDRO CC[C@@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000468626694 244056728 /nfs/dbraw/zinc/05/67/28/244056728.db2.gz HYKPPCANZLLOGX-JMPLCFMRSA-N 1 0 317.433 3.462 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOCC1CC1 ZINC000468628529 244056819 /nfs/dbraw/zinc/05/68/19/244056819.db2.gz RADRXKVEVOXWOW-UVTDQMKNSA-N 1 0 304.390 3.404 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000468620374 244057420 /nfs/dbraw/zinc/05/74/20/244057420.db2.gz SIHZQMHXSNHCIV-PSIJOBTASA-N 1 0 304.390 3.403 20 5 DGBDRO C[C@H](CCC1CC1)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000469807323 244125173 /nfs/dbraw/zinc/12/51/73/244125173.db2.gz HKGLEZLTXUNDSU-OLZOCXBDSA-N 1 0 319.405 3.480 20 5 DGBDRO C[C@@H](c1cccnc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000093227914 193219380 /nfs/dbraw/zinc/21/93/80/193219380.db2.gz DMBPODGTYYPHSR-ZDUSSCGKSA-N 1 0 301.346 3.062 20 5 DGBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093813788 193312036 /nfs/dbraw/zinc/31/20/36/193312036.db2.gz TZBODUQEEXEPDC-KRWDZBQOSA-N 1 0 320.389 3.103 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000121232109 284191781 /nfs/dbraw/zinc/19/17/81/284191781.db2.gz KHUKFDCDSDCZGH-GFCCVEGCSA-N 1 0 322.409 3.001 20 5 DGBDRO CO[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000483856801 244880046 /nfs/dbraw/zinc/88/00/46/244880046.db2.gz HLUUPDFGHAVJSC-NVXWUHKLSA-N 1 0 306.406 3.177 20 5 DGBDRO C[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000121585409 284201653 /nfs/dbraw/zinc/20/16/53/284201653.db2.gz HELRPGQNRJUDJQ-HUUCEWRRSA-N 1 0 305.422 3.367 20 5 DGBDRO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000487965738 245129112 /nfs/dbraw/zinc/12/91/12/245129112.db2.gz URODLFBCPWPYAB-DOMZBBRYSA-N 1 0 310.369 3.371 20 5 DGBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCC[C@H]1C ZINC000488038942 245138972 /nfs/dbraw/zinc/13/89/72/245138972.db2.gz IGUWXFUAMXOXSF-CJNGLKHVSA-N 1 0 322.405 3.240 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000264328208 203854064 /nfs/dbraw/zinc/85/40/64/203854064.db2.gz SBBPLTGNGVDYMP-HNNXBMFYSA-N 1 0 318.421 3.082 20 5 DGBDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000264909344 204259587 /nfs/dbraw/zinc/25/95/87/204259587.db2.gz YPOLUWYCYLYOQL-SUMWQHHRSA-N 1 0 300.358 3.153 20 5 DGBDRO COCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000127111403 284327880 /nfs/dbraw/zinc/32/78/80/284327880.db2.gz LJIDSKLRAXYKSK-UHFFFAOYSA-N 1 0 306.387 3.402 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000268768938 432130474 /nfs/dbraw/zinc/13/04/74/432130474.db2.gz DFFWXIFXSAPQQD-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N(C)C)nc2)cccc1[N+](=O)[O-] ZINC000268768827 432131092 /nfs/dbraw/zinc/13/10/92/432131092.db2.gz OWBMNPDMNIORGJ-CYBMUJFWSA-N 1 0 314.389 3.215 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000266911150 205670987 /nfs/dbraw/zinc/67/09/87/205670987.db2.gz LNMLOGNPDNISKS-NSHDSACASA-N 1 0 310.781 3.249 20 5 DGBDRO COc1ccc(OC)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000267470431 206088384 /nfs/dbraw/zinc/08/83/84/206088384.db2.gz XNVYNOYKMDGJRK-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000494655256 246176942 /nfs/dbraw/zinc/17/69/42/246176942.db2.gz PWYGCUCGHXTFAQ-KRWDZBQOSA-N 1 0 304.390 3.028 20 5 DGBDRO Cc1noc(C2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000267781253 206278151 /nfs/dbraw/zinc/27/81/51/206278151.db2.gz CEOFDGYYHMWXAK-UHFFFAOYSA-N 1 0 316.361 3.102 20 5 DGBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000152168497 284604510 /nfs/dbraw/zinc/60/45/10/284604510.db2.gz PGGYOJZJAAJWDN-GHMZBOCLSA-N 1 0 303.362 3.481 20 5 DGBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000109784871 194284459 /nfs/dbraw/zinc/28/44/59/194284459.db2.gz MEKPGJTZZJGVEK-ZDUSSCGKSA-N 1 0 316.357 3.372 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(O)cc1 ZINC000268840671 207006895 /nfs/dbraw/zinc/00/68/95/207006895.db2.gz ZMHAVFOUQLJPNM-CQSZACIVSA-N 1 0 314.385 3.454 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000269001309 207155854 /nfs/dbraw/zinc/15/58/54/207155854.db2.gz PGRFHKPUGPYLRO-IUODEOHRSA-N 1 0 304.346 3.189 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000269003514 207159446 /nfs/dbraw/zinc/15/94/46/207159446.db2.gz PXLMMPJVKYKLIJ-IUODEOHRSA-N 1 0 323.824 3.164 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269016788 207168453 /nfs/dbraw/zinc/16/84/53/207168453.db2.gz YVEPZGANCMUFNB-CVEARBPZSA-N 1 0 323.462 3.073 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccncc1)C1CC1 ZINC000269008273 207160661 /nfs/dbraw/zinc/16/06/61/207160661.db2.gz LVBAVTITBGADQU-QGZVFWFLSA-N 1 0 311.385 3.143 20 5 DGBDRO CC[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269016790 207168785 /nfs/dbraw/zinc/16/87/85/207168785.db2.gz YVEPZGANCMUFNB-HOTGVXAUSA-N 1 0 323.462 3.073 20 5 DGBDRO CC[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269016794 207169158 /nfs/dbraw/zinc/16/91/58/207169158.db2.gz YVEPZGANCMUFNB-JKSUJKDBSA-N 1 0 323.462 3.073 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000061013935 184159612 /nfs/dbraw/zinc/15/96/12/184159612.db2.gz UEIWZGHBKMLWFI-MRXNPFEDSA-N 1 0 315.373 3.115 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000269068421 207215313 /nfs/dbraw/zinc/21/53/13/207215313.db2.gz WJFRAUZNYWIOKE-GJZGRUSLSA-N 1 0 304.346 3.271 20 5 DGBDRO CCOC(=O)CCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269110065 207246828 /nfs/dbraw/zinc/24/68/28/207246828.db2.gz WZDKKUAQOFMYSZ-UHFFFAOYSA-N 1 0 320.389 3.293 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C(C)C)C1CC1 ZINC000063492996 184283731 /nfs/dbraw/zinc/28/37/31/184283731.db2.gz ZNLPCNUKXBMKHH-UHFFFAOYSA-N 1 0 305.378 3.105 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000270540081 252796368 /nfs/dbraw/zinc/79/63/68/252796368.db2.gz XKFRMGBCSASLJG-DJIMGWMZSA-N 1 0 316.401 3.075 20 5 DGBDRO CN(C(=O)C[NH2+][C@@H]1CCCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000119758538 195031498 /nfs/dbraw/zinc/03/14/98/195031498.db2.gz NLGASGHXAVXCOO-OAHLLOKOSA-N 1 0 319.405 3.116 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC[C@@H]2OC(F)F)c1 ZINC000337309946 253083638 /nfs/dbraw/zinc/08/36/38/253083638.db2.gz UJRYSTTWEVBOIK-STQMWFEESA-N 1 0 300.305 3.235 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201233 285089782 /nfs/dbraw/zinc/08/97/82/285089782.db2.gz MQAWCFYIIXLLIC-ZDUSSCGKSA-N 1 0 309.797 3.217 20 5 DGBDRO CC(C)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337330023 253088917 /nfs/dbraw/zinc/08/89/17/253088917.db2.gz FYBYEUXTTDXYLH-CQSZACIVSA-N 1 0 319.405 3.434 20 5 DGBDRO C[N@H+](CCCC(=O)OC(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC000338353082 253270652 /nfs/dbraw/zinc/27/06/52/253270652.db2.gz XTLHVMYVKQADIS-UHFFFAOYSA-N 1 0 322.405 3.191 20 5 DGBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000338482710 253295553 /nfs/dbraw/zinc/29/55/53/253295553.db2.gz GJEADUUKANLAOR-CLLJXQQHSA-N 1 0 310.369 3.417 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186441495 285114100 /nfs/dbraw/zinc/11/41/00/285114100.db2.gz ROPQYEWHUGUOSQ-SFHVURJKSA-N 1 0 310.353 3.226 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000338644589 253326008 /nfs/dbraw/zinc/32/60/08/253326008.db2.gz GVZCTQLAGXRNFP-OAHLLOKOSA-N 1 0 321.402 3.380 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CC[C@H]3C3CCC3)nc2c1 ZINC000338956840 253378614 /nfs/dbraw/zinc/37/86/14/253378614.db2.gz KSAUEXZCTDUYFK-STQMWFEESA-N 1 0 300.362 3.139 20 5 DGBDRO Cc1nc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000272904188 210290779 /nfs/dbraw/zinc/29/07/79/210290779.db2.gz IZXZSJPNLMQBHQ-OCCSQVGLSA-N 1 0 318.421 3.363 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000493332961 285153219 /nfs/dbraw/zinc/15/32/19/285153219.db2.gz DONHXGNXGNEXCE-BXUZGUMPSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000492290935 285154487 /nfs/dbraw/zinc/15/44/87/285154487.db2.gz HICTYTWPJGKLQQ-ZDUSSCGKSA-N 1 0 324.808 3.497 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCC[C@@H]1CCOC1)C1CC1 ZINC000453391011 285161417 /nfs/dbraw/zinc/16/14/17/285161417.db2.gz XVKQXHQNOXQZSN-RHSMWYFYSA-N 1 0 318.417 3.322 20 5 DGBDRO Cc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C(C)C)s1 ZINC000157794142 197215786 /nfs/dbraw/zinc/21/57/86/197215786.db2.gz VJSDRRRNOCFSOG-UHFFFAOYSA-N 1 0 308.407 3.072 20 5 DGBDRO C[N@H+]1CC=C(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000342784859 254049344 /nfs/dbraw/zinc/04/93/44/254049344.db2.gz LAMHWWGLVDEFGR-UHFFFAOYSA-N 1 0 315.295 3.287 20 5 DGBDRO Cc1c(C[N@@H+](C)[C@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000343116005 254102010 /nfs/dbraw/zinc/10/20/10/254102010.db2.gz DBXZDNBZTRHEHX-QGZVFWFLSA-N 1 0 300.358 3.069 20 5 DGBDRO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)(C)c1ccccc1 ZINC000343382645 254135057 /nfs/dbraw/zinc/13/50/57/254135057.db2.gz GEZIXALIHPMONX-HNNXBMFYSA-N 1 0 316.405 3.174 20 5 DGBDRO Cc1ccccc1[C@H]([C@H](C)Nc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000343798223 254190349 /nfs/dbraw/zinc/19/03/49/254190349.db2.gz XTDAAOGDGMLVHX-GUYCJALGSA-N 1 0 314.389 3.402 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000344032905 254216280 /nfs/dbraw/zinc/21/62/80/254216280.db2.gz FDONCBYYWKMERV-KGLIPLIRSA-N 1 0 317.389 3.210 20 5 DGBDRO CCC(CC)[N@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000344032916 254216296 /nfs/dbraw/zinc/21/62/96/254216296.db2.gz FFGIIQLAHCMHSS-UHFFFAOYSA-N 1 0 307.394 3.434 20 5 DGBDRO Cc1c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000157099392 197162156 /nfs/dbraw/zinc/16/21/56/197162156.db2.gz IZKIWDSBJFOPJS-QGZVFWFLSA-N 1 0 317.433 3.354 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000344330226 254257169 /nfs/dbraw/zinc/25/71/69/254257169.db2.gz NWJOLFUCXZKDJC-HZPDHXFCSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000344370858 254263230 /nfs/dbraw/zinc/26/32/30/254263230.db2.gz NUDJFFRZTYUJDN-QGZVFWFLSA-N 1 0 316.357 3.371 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000344376578 254263522 /nfs/dbraw/zinc/26/35/22/254263522.db2.gz YBUBEEPKRVRMKH-LLCTXKFZSA-N 1 0 316.332 3.070 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])nc2)c1 ZINC000344422868 254269445 /nfs/dbraw/zinc/26/94/45/254269445.db2.gz CNIOYJNQBMKRCP-UHFFFAOYSA-N 1 0 300.362 3.054 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000344428735 254270083 /nfs/dbraw/zinc/27/00/83/254270083.db2.gz HEJJHWZHTJDFLY-ZDUSSCGKSA-N 1 0 318.402 3.300 20 5 DGBDRO COc1ncccc1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344799045 254306803 /nfs/dbraw/zinc/30/68/03/254306803.db2.gz YTANLXKSVSDSHX-LCYFTJDESA-N 1 0 313.357 3.192 20 5 DGBDRO Cc1ccc(NC(=O)c2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000345509394 254370579 /nfs/dbraw/zinc/37/05/79/254370579.db2.gz UQFVDQGRKMSBMB-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000156372629 197108090 /nfs/dbraw/zinc/10/80/90/197108090.db2.gz UMOXXBQUMAUDAQ-OAHLLOKOSA-N 1 0 316.405 3.457 20 5 DGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCOC(C)(C)C1 ZINC000289844076 285243466 /nfs/dbraw/zinc/24/34/66/285243466.db2.gz PGNRNGAZCHYLOB-HNNXBMFYSA-N 1 0 322.405 3.383 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000291746753 285250468 /nfs/dbraw/zinc/25/04/68/285250468.db2.gz PPBITPLQRKVLQW-ZBEGNZNMSA-N 1 0 318.398 3.448 20 5 DGBDRO Cc1ccc([C@@H](C)NC(=O)Nc2ccncc2C)cc1[N+](=O)[O-] ZINC000120451687 195168619 /nfs/dbraw/zinc/16/86/19/195168619.db2.gz OQLWRADFDSVSRX-GFCCVEGCSA-N 1 0 314.345 3.489 20 5 DGBDRO C[C@@H](CO)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000289404831 220948150 /nfs/dbraw/zinc/94/81/50/220948150.db2.gz GZVJWVSFHVBYPD-NSHDSACASA-N 1 0 306.387 3.136 20 5 DGBDRO Cc1ccncc1CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000289483744 221008391 /nfs/dbraw/zinc/00/83/91/221008391.db2.gz BBMDOLXBWQDWFJ-UHFFFAOYSA-N 1 0 313.401 3.405 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CSC)C1 ZINC000292441152 533219030 /nfs/dbraw/zinc/21/90/30/533219030.db2.gz OLXHWSOZHLWKHA-GFCCVEGCSA-N 1 0 310.419 3.178 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1O ZINC000289610586 221100971 /nfs/dbraw/zinc/10/09/71/221100971.db2.gz GINFJXCHIHVWAR-GFCCVEGCSA-N 1 0 316.357 3.202 20 5 DGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC(C)(C)C1 ZINC000289798676 221232712 /nfs/dbraw/zinc/23/27/12/221232712.db2.gz MUJZIRQFZRCTDX-MRXNPFEDSA-N 1 0 306.406 3.417 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)OCCc2sccc21 ZINC000289900466 221303330 /nfs/dbraw/zinc/30/33/30/221303330.db2.gz UBHBGDXXMLKTJJ-AWEZNQCLSA-N 1 0 324.427 3.296 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000294985166 224359915 /nfs/dbraw/zinc/35/99/15/224359915.db2.gz GZLZLMZIZBLBMZ-JHNDHUHGSA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295006730 224373579 /nfs/dbraw/zinc/37/35/79/224373579.db2.gz IZNFQBXCZAQBSO-HLLBOEOZSA-N 1 0 320.433 3.447 20 5 DGBDRO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000173232747 533298900 /nfs/dbraw/zinc/29/89/00/533298900.db2.gz REROQBFWYZRNOZ-GOSISDBHSA-N 1 0 312.369 3.423 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000470200358 533382255 /nfs/dbraw/zinc/38/22/55/533382255.db2.gz AQNQBWYILZIVCB-YVYLTUATSA-N 1 0 304.390 3.233 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000470178859 533382900 /nfs/dbraw/zinc/38/29/00/533382900.db2.gz OXLCCDNSOMTEFU-MBSJSRAVSA-N 1 0 316.401 3.499 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C)CC[C@@H]1C ZINC000470176769 533383159 /nfs/dbraw/zinc/38/31/59/533383159.db2.gz YZJOZOHNRSRYEP-SZGZABIGSA-N 1 0 303.406 3.024 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449574757 533385394 /nfs/dbraw/zinc/38/53/94/533385394.db2.gz VZFSAVOXGBCBOA-UHQRNEECSA-N 1 0 312.373 3.490 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1(O)CCCC1 ZINC000470182828 533407123 /nfs/dbraw/zinc/40/71/23/533407123.db2.gz NJYVFRHINOMGCN-GXDHUFHOSA-N 1 0 304.390 3.235 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C)CC[C@H]1C ZINC000470176766 533407737 /nfs/dbraw/zinc/40/77/37/533407737.db2.gz YZJOZOHNRSRYEP-ATGUSINASA-N 1 0 303.406 3.024 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cscn1 ZINC000468629824 533409280 /nfs/dbraw/zinc/40/92/80/533409280.db2.gz JOGHAPQRGCVCMJ-KPKJPENVSA-N 1 0 303.387 3.287 20 5 DGBDRO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000295923388 533549393 /nfs/dbraw/zinc/54/93/93/533549393.db2.gz KDHGWERVITVQJR-UTUOFQBUSA-N 1 0 318.398 3.497 20 5 DGBDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000294678276 533640922 /nfs/dbraw/zinc/64/09/22/533640922.db2.gz HYKPQAMKAYFQEH-LBPRGKRZSA-N 1 0 315.373 3.345 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)C1 ZINC000444659902 533646647 /nfs/dbraw/zinc/64/66/47/533646647.db2.gz FJVUWXMWVJPVIJ-NWDGAFQWSA-N 1 0 302.378 3.339 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000356740539 285468661 /nfs/dbraw/zinc/46/86/61/285468661.db2.gz QKXDMVBDDASEJS-AWEZNQCLSA-N 1 0 320.368 3.344 20 5 DGBDRO O=C(NCC1CC[NH2+]CC1)c1cc2ccccc2c2cccnc12 ZINC000296839862 131988806 /nfs/dbraw/zinc/98/88/06/131988806.db2.gz BSGDZXZLQBWBFY-UHFFFAOYSA-N 1 0 319.408 3.117 20 5 DGBDRO CCOC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595040861 400085803 /nfs/dbraw/zinc/08/58/03/400085803.db2.gz NCHILBZFDGFTBY-DOMZBBRYSA-N 1 0 310.394 3.315 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000066410715 400086125 /nfs/dbraw/zinc/08/61/25/400086125.db2.gz SOTHSVTZKZBEEA-LLVKDONJSA-N 1 0 307.375 3.498 20 5 DGBDRO CCOC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595040863 400086151 /nfs/dbraw/zinc/08/61/51/400086151.db2.gz NCHILBZFDGFTBY-SWLSCSKDSA-N 1 0 310.394 3.315 20 5 DGBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc2ncccc21 ZINC000066405011 400086585 /nfs/dbraw/zinc/08/65/85/400086585.db2.gz FSKWDAOUHOUXAX-GDBMZVCRSA-N 1 0 312.373 3.182 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@@H+]1CCCC1(C)C ZINC000595043763 400086615 /nfs/dbraw/zinc/08/66/15/400086615.db2.gz AAUBLWLRAPFCSS-ZDUSSCGKSA-N 1 0 321.421 3.128 20 5 DGBDRO CCC(O)(CC)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595043385 400087330 /nfs/dbraw/zinc/08/73/30/400087330.db2.gz XCORSNNXWGZYEG-GFCCVEGCSA-N 1 0 310.394 3.195 20 5 DGBDRO CC(C)(C)N1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595056400 400092844 /nfs/dbraw/zinc/09/28/44/400092844.db2.gz GYTLFXZAWNACAI-PBHICJAKSA-N 1 0 317.433 3.435 20 5 DGBDRO CC(C)(C)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595056683 400092871 /nfs/dbraw/zinc/09/28/71/400092871.db2.gz QODUYMDZGOGSMQ-DOMZBBRYSA-N 1 0 303.406 3.045 20 5 DGBDRO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595056403 400093375 /nfs/dbraw/zinc/09/33/75/400093375.db2.gz GYTLFXZAWNACAI-YOEHRIQHSA-N 1 0 317.433 3.435 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cccc1[N+](=O)[O-] ZINC000595071875 400098283 /nfs/dbraw/zinc/09/82/83/400098283.db2.gz ROOWIXHVSUHBAW-OTSWZTIHSA-N 1 0 324.446 3.244 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000301583183 400101237 /nfs/dbraw/zinc/10/12/37/400101237.db2.gz VVAWDWHYJRTFEQ-WFGGJUAMSA-N 1 0 319.405 3.336 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC(C)(C)F ZINC000595088511 400101583 /nfs/dbraw/zinc/10/15/83/400101583.db2.gz RZHSEWDRLHAFNU-LLVKDONJSA-N 1 0 311.357 3.040 20 5 DGBDRO CO[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCC1 ZINC000595094163 400104067 /nfs/dbraw/zinc/10/40/67/400104067.db2.gz HNFCDIMJDPHUFH-DOTOQJQBSA-N 1 0 304.390 3.377 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](OC)C1CCCC1 ZINC000595093343 400104102 /nfs/dbraw/zinc/10/41/02/400104102.db2.gz AAPMRJQKHIURLI-SJKOYZFVSA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@H](O)[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000595105076 400107536 /nfs/dbraw/zinc/10/75/36/400107536.db2.gz WVLADVHQZGHUSW-ULFGMLNVSA-N 1 0 312.369 3.294 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000595106042 400108142 /nfs/dbraw/zinc/10/81/42/400108142.db2.gz GVDDHIYZDIBJKR-TZMCWYRMSA-N 1 0 322.405 3.459 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000595106038 400108262 /nfs/dbraw/zinc/10/82/62/400108262.db2.gz GVDDHIYZDIBJKR-JSGCOSHPSA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nccn1C ZINC000595108524 400109136 /nfs/dbraw/zinc/10/91/36/400109136.db2.gz RJIOMNXCPZTETH-STQMWFEESA-N 1 0 302.378 3.000 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000595023046 400079541 /nfs/dbraw/zinc/07/95/41/400079541.db2.gz WVCAKWYTFAKADY-AVGNSLFASA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O ZINC000595025032 400080530 /nfs/dbraw/zinc/08/05/30/400080530.db2.gz DPTFPOIXUNKICW-VXGBXAGGSA-N 1 0 310.394 3.051 20 5 DGBDRO COC1([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000595025078 400080648 /nfs/dbraw/zinc/08/06/48/400080648.db2.gz FQHIMDIBDFTALJ-CQSZACIVSA-N 1 0 306.406 3.465 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000595027155 400081554 /nfs/dbraw/zinc/08/15/54/400081554.db2.gz PMBHGKPHBMGGTR-MLGOLLRUSA-N 1 0 322.405 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccncc1C ZINC000595035908 400084172 /nfs/dbraw/zinc/08/41/72/400084172.db2.gz NFXHXZLCHNNSCE-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507949 400172729 /nfs/dbraw/zinc/17/27/29/400172729.db2.gz SCCLGTRPRVHGQY-RHSMWYFYSA-N 1 0 303.406 3.074 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595511692 400173379 /nfs/dbraw/zinc/17/33/79/400173379.db2.gz KACLJFUAHGPKHC-CABCVRRESA-N 1 0 310.369 3.416 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000609540478 400174288 /nfs/dbraw/zinc/17/42/88/400174288.db2.gz ZODKLAVPKDLRFC-CYBMUJFWSA-N 1 0 302.330 3.056 20 5 DGBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595525229 400178374 /nfs/dbraw/zinc/17/83/74/400178374.db2.gz PXKUFCOHTBUOMD-ZBFHGGJFSA-N 1 0 312.385 3.113 20 5 DGBDRO CC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000595536185 400179266 /nfs/dbraw/zinc/17/92/66/400179266.db2.gz OJYNVNMBUICAPR-LBPRGKRZSA-N 1 0 311.813 3.164 20 5 DGBDRO CC[N@@H+]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536177 400179792 /nfs/dbraw/zinc/17/97/92/400179792.db2.gz OFJWPEHURKOYHL-LBPRGKRZSA-N 1 0 311.813 3.164 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000609613662 400180922 /nfs/dbraw/zinc/18/09/22/400180922.db2.gz HCWHKMVZYLQRDH-CABCVRRESA-N 1 0 318.421 3.081 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000609613663 400181244 /nfs/dbraw/zinc/18/12/44/400181244.db2.gz HCWHKMVZYLQRDH-GJZGRUSLSA-N 1 0 318.421 3.081 20 5 DGBDRO Cc1noc(C[N@@H+]2CCc3ccccc3[C@H](C)C2)c1[N+](=O)[O-] ZINC000595564723 400189080 /nfs/dbraw/zinc/18/90/80/400189080.db2.gz VDAZMIBKGTUIMZ-LLVKDONJSA-N 1 0 301.346 3.053 20 5 DGBDRO CC[C@@H](C)[NH2+][C@@H](CNc1cccnc1[N+](=O)[O-])c1ccco1 ZINC000588067116 400185186 /nfs/dbraw/zinc/18/51/86/400185186.db2.gz WHJZHJOWEWXEOU-YPMHNXCESA-N 1 0 304.350 3.124 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2(CO)CC2)c2ccccc2)c1 ZINC000305831398 400124193 /nfs/dbraw/zinc/12/41/93/400124193.db2.gz OERJKUJALLOIJX-KRWDZBQOSA-N 1 0 312.369 3.046 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@H]2Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595321026 400127436 /nfs/dbraw/zinc/12/74/36/400127436.db2.gz VTJMDAOUCSKFLA-HNNXBMFYSA-N 1 0 315.373 3.407 20 5 DGBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000609671492 400185888 /nfs/dbraw/zinc/18/58/88/400185888.db2.gz XEQMVVDKJPIXPN-RHSMWYFYSA-N 1 0 321.421 3.144 20 5 DGBDRO Cc1noc(C[N@@H+]2CC[C@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595339427 400131258 /nfs/dbraw/zinc/13/12/58/400131258.db2.gz OQODLODRUVVEOQ-INIZCTEOSA-N 1 0 301.346 3.055 20 5 DGBDRO CO[C@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCC1 ZINC000595353163 400133421 /nfs/dbraw/zinc/13/34/21/400133421.db2.gz NEIHGENCSDEJJV-QGZVFWFLSA-N 1 0 304.390 3.374 20 5 DGBDRO CC1CCC([NH+]2CCN(c3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000609670823 400186489 /nfs/dbraw/zinc/18/64/89/400186489.db2.gz UKUMWYDVTFGWAA-UHFFFAOYSA-N 1 0 309.435 3.357 20 5 DGBDRO Cc1noc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000595424137 400145293 /nfs/dbraw/zinc/14/52/93/400145293.db2.gz NVDUXQHKVWIECJ-AWEZNQCLSA-N 1 0 301.346 3.002 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000315867783 400147495 /nfs/dbraw/zinc/14/74/95/400147495.db2.gz BCOOOYYQOQTWMN-HOTGVXAUSA-N 1 0 323.824 3.355 20 5 DGBDRO CCOc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000586773207 400153320 /nfs/dbraw/zinc/15/33/20/400153320.db2.gz OSZNTAWTPANWPN-UHFFFAOYSA-N 1 0 315.373 3.063 20 5 DGBDRO Cc1ccc(-c2ccc(C[NH2+]CCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000600788854 400154152 /nfs/dbraw/zinc/15/41/52/400154152.db2.gz ACTLESIBULXTPQ-UHFFFAOYSA-N 1 0 313.401 3.221 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1-c1cccc([C@@H]2C[NH2+]CCO2)c1 ZINC000600790588 400155983 /nfs/dbraw/zinc/15/59/83/400155983.db2.gz SNITWNLPOWFAFB-INIZCTEOSA-N 1 0 302.305 3.062 20 5 DGBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595459279 400157692 /nfs/dbraw/zinc/15/76/92/400157692.db2.gz YZSHJCASCBHNDC-MRXNPFEDSA-N 1 0 310.369 3.107 20 5 DGBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595459278 400157749 /nfs/dbraw/zinc/15/77/49/400157749.db2.gz YZSHJCASCBHNDC-INIZCTEOSA-N 1 0 310.369 3.107 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000320414502 400165089 /nfs/dbraw/zinc/16/50/89/400165089.db2.gz YDSSSIAOBFZDND-ZDUSSCGKSA-N 1 0 314.389 3.285 20 5 DGBDRO Cc1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000067383131 400167295 /nfs/dbraw/zinc/16/72/95/400167295.db2.gz XKPMTJILFDJOOG-OAHLLOKOSA-N 1 0 300.362 3.013 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1CNc1cccc(C[NH+](C)C)c1 ZINC000600849428 400169315 /nfs/dbraw/zinc/16/93/15/400169315.db2.gz PMSWAQVCCHFGFI-UHFFFAOYSA-N 1 0 315.373 3.277 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000595561261 400188339 /nfs/dbraw/zinc/18/83/39/400188339.db2.gz DMCLWYIFTZJAMW-CYBMUJFWSA-N 1 0 301.321 3.118 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)cc1[N+](=O)[O-] ZINC000093106592 400226327 /nfs/dbraw/zinc/22/63/27/400226327.db2.gz HBECCFXFZYOQNM-AWEZNQCLSA-N 1 0 306.406 3.313 20 5 DGBDRO O=[N+]([O-])c1sccc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000601107876 400234048 /nfs/dbraw/zinc/23/40/48/400234048.db2.gz CGFRQLWGOJOZFR-UHFFFAOYSA-N 1 0 309.435 3.359 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000025407328 400235896 /nfs/dbraw/zinc/23/58/96/400235896.db2.gz OWKAPVUSRRBHML-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000093278842 400236364 /nfs/dbraw/zinc/23/63/64/400236364.db2.gz UAYYJYZTHNQPBA-CQSZACIVSA-N 1 0 320.389 3.006 20 5 DGBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000093278843 400236423 /nfs/dbraw/zinc/23/64/23/400236423.db2.gz UAYYJYZTHNQPBA-AWEZNQCLSA-N 1 0 320.389 3.006 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c(F)c1 ZINC000601136109 400243884 /nfs/dbraw/zinc/24/38/84/400243884.db2.gz PCJZCCSGTJJQLJ-SJORKVTESA-N 1 0 316.332 3.354 20 5 DGBDRO CCC1(CO)CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093591601 400249728 /nfs/dbraw/zinc/24/97/28/400249728.db2.gz HQEDRQHDUBDIIE-FNORWQNLSA-N 1 0 304.390 3.093 20 5 DGBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[N@@H+]1C ZINC000093659940 400251396 /nfs/dbraw/zinc/25/13/96/400251396.db2.gz GVFJOUPLDPHVNB-UGAXZCSASA-N 1 0 317.433 3.414 20 5 DGBDRO Cc1noc(C[N@@H+]2CCc3ccc(F)cc3[C@H](C)C2)c1[N+](=O)[O-] ZINC000595564753 400189535 /nfs/dbraw/zinc/18/95/35/400189535.db2.gz VEAMFBSDORZOMP-SNVBAGLBSA-N 1 0 319.336 3.192 20 5 DGBDRO CCOc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672296 400192585 /nfs/dbraw/zinc/19/25/85/400192585.db2.gz MQUHHNKKEVJERL-AAEUAGOBSA-N 1 0 305.378 3.031 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595792270 400263029 /nfs/dbraw/zinc/26/30/29/400263029.db2.gz ZBLDAVMPSVOOPN-WMZOPIPTSA-N 1 0 318.417 3.418 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1[nH]nc2ccccc21 ZINC000589183810 400270709 /nfs/dbraw/zinc/27/07/09/400270709.db2.gz QYQSMVAFNHCULE-UHFFFAOYSA-N 1 0 310.357 3.146 20 5 DGBDRO COc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1F ZINC000589185025 400270946 /nfs/dbraw/zinc/27/09/46/400270946.db2.gz OXSZUANKUFKLQC-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589190139 400271356 /nfs/dbraw/zinc/27/13/56/400271356.db2.gz PPXWBHDPNAQGDC-LHYFVSQWSA-N 1 0 315.417 3.167 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596119848 400323383 /nfs/dbraw/zinc/32/33/83/400323383.db2.gz QJRBRXYDGUHUMO-JTQLQIEISA-N 1 0 317.311 3.367 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CC1(C)C ZINC000595909055 400292573 /nfs/dbraw/zinc/29/25/73/400292573.db2.gz LPBVHCRNEKURKN-CYBMUJFWSA-N 1 0 319.405 3.210 20 5 DGBDRO COCC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000595911919 400293063 /nfs/dbraw/zinc/29/30/63/400293063.db2.gz UNBUZJBONHWTCJ-UHFFFAOYSA-N 1 0 308.378 3.042 20 5 DGBDRO COCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCCCC1 ZINC000595911879 400293848 /nfs/dbraw/zinc/29/38/48/400293848.db2.gz SMZSEDPBJVAUTN-UHFFFAOYSA-N 1 0 308.378 3.042 20 5 DGBDRO CCOc1cc(N[C@@H](CC)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000610715926 400294995 /nfs/dbraw/zinc/29/49/95/400294995.db2.gz FQNVKKLUAGTHKE-ZDUSSCGKSA-N 1 0 307.394 3.280 20 5 DGBDRO C[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404326619 400295198 /nfs/dbraw/zinc/29/51/98/400295198.db2.gz VTVXEESUILBUNL-BXUZGUMPSA-N 1 0 311.813 3.198 20 5 DGBDRO CCn1nccc1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000596061203 400305754 /nfs/dbraw/zinc/30/57/54/400305754.db2.gz GNEJYTDCCIDGPM-UKTHLTGXSA-N 1 0 300.362 3.004 20 5 DGBDRO Cc1occc1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610805260 400309109 /nfs/dbraw/zinc/30/91/09/400309109.db2.gz LVFDPLYDZZVELP-NSHDSACASA-N 1 0 317.345 3.003 20 5 DGBDRO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000106439908 400326055 /nfs/dbraw/zinc/32/60/55/400326055.db2.gz GSGBAHGKMXKLIP-OLZOCXBDSA-N 1 0 319.405 3.432 20 5 DGBDRO CC[C@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000601191099 400259338 /nfs/dbraw/zinc/25/93/38/400259338.db2.gz HUJMJLVDQPGGGX-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611350083 400382704 /nfs/dbraw/zinc/38/27/04/400382704.db2.gz ATIXNIHRQZEVMY-KGLIPLIRSA-N 1 0 322.380 3.373 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000596337428 400384766 /nfs/dbraw/zinc/38/47/66/400384766.db2.gz XGVJXFRMBDYATC-GFCCVEGCSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596170871 400338998 /nfs/dbraw/zinc/33/89/98/400338998.db2.gz YKLFVZIOMBPUHG-TZMCWYRMSA-N 1 0 321.446 3.418 20 5 DGBDRO CSC[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590026370 400348829 /nfs/dbraw/zinc/34/88/29/400348829.db2.gz IMMWBEJSUHURDK-AWEZNQCLSA-N 1 0 324.446 3.439 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCSC ZINC000611248352 400364032 /nfs/dbraw/zinc/36/40/32/400364032.db2.gz ZRMZMNOJFDUJJV-LLVKDONJSA-N 1 0 300.449 3.418 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H]1CCCC[N@H+]1C(C)C ZINC000596264862 400365868 /nfs/dbraw/zinc/36/58/68/400365868.db2.gz NBRNCLSMHVJMBF-HNNXBMFYSA-N 1 0 320.389 3.439 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000611268077 400369646 /nfs/dbraw/zinc/36/96/46/400369646.db2.gz FTDLCLLBQHVGJB-GIZXNFQBSA-N 1 0 312.373 3.142 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(OCC2CC2)CC1 ZINC000611274461 400371481 /nfs/dbraw/zinc/37/14/81/400371481.db2.gz FAMVRZGLHVBOJV-HYXAFXHYSA-N 1 0 316.401 3.499 20 5 DGBDRO COc1cc(NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1C ZINC000590570439 400396802 /nfs/dbraw/zinc/39/68/02/400396802.db2.gz VQSJNDALPYRLDW-UHFFFAOYSA-N 1 0 321.421 3.444 20 5 DGBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000590583630 400399253 /nfs/dbraw/zinc/39/92/53/400399253.db2.gz BCXBREFDLIOWFI-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO CC1(C)CC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611464622 400405909 /nfs/dbraw/zinc/40/59/09/400405909.db2.gz VFRZTQQPZITLLV-GFCCVEGCSA-N 1 0 306.362 3.034 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000590648019 400408270 /nfs/dbraw/zinc/40/82/70/400408270.db2.gz CEVZSCVSARLHMY-GNXNZQSNSA-N 1 0 312.797 3.336 20 5 DGBDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000590661409 400412422 /nfs/dbraw/zinc/41/24/22/400412422.db2.gz DMHQRXZQZWDTNV-IAQYHMDHSA-N 1 0 318.398 3.278 20 5 DGBDRO COc1cc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596476341 400423468 /nfs/dbraw/zinc/42/34/68/400423468.db2.gz CURWSNBZHMMFQX-CQSZACIVSA-N 1 0 319.405 3.422 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596478962 400424450 /nfs/dbraw/zinc/42/44/50/400424450.db2.gz QJYHJTKAFAPWPA-CYBMUJFWSA-N 1 0 304.394 3.117 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1NCC1CC[NH+](CC2CC2)CC1 ZINC000596562376 400445216 /nfs/dbraw/zinc/44/52/16/400445216.db2.gz MFQMGIPCOUDVCV-UHFFFAOYSA-N 1 0 307.369 3.268 20 5 DGBDRO CC(C)OCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000120535911 400446025 /nfs/dbraw/zinc/44/60/25/400446025.db2.gz HXCPBKHGFOMVEW-GDBMZVCRSA-N 1 0 306.406 3.321 20 5 DGBDRO COc1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596571268 400447700 /nfs/dbraw/zinc/44/77/00/400447700.db2.gz RSVJPSGGCZXLML-CQSZACIVSA-N 1 0 319.405 3.137 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000602575037 400501577 /nfs/dbraw/zinc/50/15/77/400501577.db2.gz FLKXKMXMSNXHQN-SKDRFNHKSA-N 1 0 318.295 3.271 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000602575034 400501654 /nfs/dbraw/zinc/50/16/54/400501654.db2.gz FLKXKMXMSNXHQN-BXKDBHETSA-N 1 0 318.295 3.271 20 5 DGBDRO C[C@H](CO)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602578162 400502542 /nfs/dbraw/zinc/50/25/42/400502542.db2.gz KCZDYAFDUQBDLZ-JTQLQIEISA-N 1 0 320.311 3.112 20 5 DGBDRO CC(C)OC1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602584285 400505100 /nfs/dbraw/zinc/50/51/00/400505100.db2.gz ZHWKBCUGDYMKBW-UHFFFAOYSA-N 1 0 306.406 3.463 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CCCC[NH2+]3)o2)c1 ZINC000591275597 400505686 /nfs/dbraw/zinc/50/56/86/400505686.db2.gz IGDOIGNETZRFRG-CQSZACIVSA-N 1 0 315.373 3.087 20 5 DGBDRO Cc1ccncc1[C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000611939291 400466205 /nfs/dbraw/zinc/46/62/05/400466205.db2.gz HGPYLKJCPXRCBF-CYBMUJFWSA-N 1 0 301.346 3.028 20 5 DGBDRO C[C@@H]([N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000591010938 400474838 /nfs/dbraw/zinc/47/48/38/400474838.db2.gz DVEZXTMJERNXCN-GFCCVEGCSA-N 1 0 307.394 3.290 20 5 DGBDRO CC(C)OCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602612208 400511953 /nfs/dbraw/zinc/51/19/53/400511953.db2.gz HVLMWZHIXUMQBD-UHFFFAOYSA-N 1 0 306.284 3.128 20 5 DGBDRO COC(C)(C)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602483357 400475992 /nfs/dbraw/zinc/47/59/92/400475992.db2.gz JAVNCGWFYXDKBJ-UHFFFAOYSA-N 1 0 320.311 3.470 20 5 DGBDRO O=C(CC[N@@H+]1CC[C@@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591061858 400481132 /nfs/dbraw/zinc/48/11/32/400481132.db2.gz KXBOUNKBQKCVQY-CQSZACIVSA-N 1 0 317.389 3.045 20 5 DGBDRO O=C(CC[N@@H+]1CC[C@@H](C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591061639 400481227 /nfs/dbraw/zinc/48/12/27/400481227.db2.gz AXQVDNLRNOEBCM-CQSZACIVSA-N 1 0 317.389 3.045 20 5 DGBDRO C[NH+](C)C(C)(C)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602504948 400482418 /nfs/dbraw/zinc/48/24/18/400482418.db2.gz OKWUPAFCSNCZCL-UHFFFAOYSA-N 1 0 319.327 3.043 20 5 DGBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602516332 400485744 /nfs/dbraw/zinc/48/57/44/400485744.db2.gz ZCNWELZQVGAGBO-RNFRBKRXSA-N 1 0 305.197 3.164 20 5 DGBDRO CCC(O)(CC)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602527102 400488632 /nfs/dbraw/zinc/48/86/32/400488632.db2.gz YLTPMTMONDZMRJ-UHFFFAOYSA-N 1 0 320.311 3.254 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCSC1 ZINC000602564905 400498475 /nfs/dbraw/zinc/49/84/75/400498475.db2.gz WKVMQQWXQMJIKT-JTQLQIEISA-N 1 0 306.309 3.209 20 5 DGBDRO CCO[C@H](CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000602564539 400498797 /nfs/dbraw/zinc/49/87/97/400498797.db2.gz AKKKNDFEOYEMLF-CQSZACIVSA-N 1 0 321.377 3.277 20 5 DGBDRO Cc1cc(NC2CC[NH+](CC3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000074744418 400532948 /nfs/dbraw/zinc/53/29/48/400532948.db2.gz KYKSLHRDRJFDFH-UHFFFAOYSA-N 1 0 318.421 3.365 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000602677017 400535046 /nfs/dbraw/zinc/53/50/46/400535046.db2.gz QWXCURFENQIVHY-KRWDZBQOSA-N 1 0 316.401 3.028 20 5 DGBDRO Cc1ccsc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000046037617 400546270 /nfs/dbraw/zinc/54/62/70/400546270.db2.gz QQZMHCIXKDKSJR-UHFFFAOYSA-N 1 0 306.387 3.476 20 5 DGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075022051 400552719 /nfs/dbraw/zinc/55/27/19/400552719.db2.gz AWUYORILFIZXPX-DGCLKSJQSA-N 1 0 316.361 3.265 20 5 DGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000075021530 400553625 /nfs/dbraw/zinc/55/36/25/400553625.db2.gz PBQUWSFPUFVTFX-SMDDNHRTSA-N 1 0 306.362 3.082 20 5 DGBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000602807490 400580632 /nfs/dbraw/zinc/58/06/32/400580632.db2.gz VBAHTAABOKPNRA-AWEZNQCLSA-N 1 0 324.331 3.119 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCC(C)(C)C ZINC000592145416 400614656 /nfs/dbraw/zinc/61/46/56/400614656.db2.gz YVINWSUOBXFEEA-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592380707 400642684 /nfs/dbraw/zinc/64/26/84/400642684.db2.gz PWLKIALUMATEOO-GZMMTYOYSA-N 1 0 318.345 3.180 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(C3CC3)CCC2)n1 ZINC000618572275 400626725 /nfs/dbraw/zinc/62/67/25/400626725.db2.gz FCUGNSKOXPEMEV-GJZGRUSLSA-N 1 0 318.421 3.445 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(C3CC3)CCC2)n1 ZINC000618572277 400626859 /nfs/dbraw/zinc/62/68/59/400626859.db2.gz FCUGNSKOXPEMEV-LSDHHAIUSA-N 1 0 318.421 3.445 20 5 DGBDRO CC(C)c1ccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000597204591 400587578 /nfs/dbraw/zinc/58/75/78/400587578.db2.gz JLHGUKNSOSMHLK-STQMWFEESA-N 1 0 306.406 3.167 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000602917248 400605376 /nfs/dbraw/zinc/60/53/76/400605376.db2.gz BMRMDPPIVHSNDJ-HZPDHXFCSA-N 1 0 314.389 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(F)c1 ZINC000592134934 400610988 /nfs/dbraw/zinc/61/09/88/400610988.db2.gz VDDVGVWXTSEKDP-CJNGLKHVSA-N 1 0 308.353 3.125 20 5 DGBDRO C[C@@H]1SCC[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592397816 400645680 /nfs/dbraw/zinc/64/56/80/400645680.db2.gz FSVOQJQWQOCGHU-NILFDRSVSA-N 1 0 306.431 3.400 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000592396757 400645838 /nfs/dbraw/zinc/64/58/38/400645838.db2.gz KAIBRMARXLVXIK-JDFRZJQESA-N 1 0 306.406 3.359 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000597667155 400658538 /nfs/dbraw/zinc/65/85/38/400658538.db2.gz NBXHAKYOICLVJH-UHFFFAOYSA-N 1 0 319.405 3.271 20 5 DGBDRO C[C@H](Cc1ccsc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000049181822 400664202 /nfs/dbraw/zinc/66/42/02/400664202.db2.gz XKFMYNNPTVPHGS-GFCCVEGCSA-N 1 0 306.387 3.256 20 5 DGBDRO Cc1cc(C(=O)Nc2ccccc2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000150236112 400664584 /nfs/dbraw/zinc/66/45/84/400664584.db2.gz LQFKYUFBHIRBDW-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO CCC[C@H](C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000076951032 400681946 /nfs/dbraw/zinc/68/19/46/400681946.db2.gz QBFSICQYCQXJTC-NSHDSACASA-N 1 0 304.350 3.265 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000603407225 400682765 /nfs/dbraw/zinc/68/27/65/400682765.db2.gz RBUWQJSKWRGFEQ-GDBMZVCRSA-N 1 0 300.362 3.038 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000157613363 400718287 /nfs/dbraw/zinc/71/82/87/400718287.db2.gz MKGNUHNRUCRUBF-NWDGAFQWSA-N 1 0 305.378 3.008 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000603838155 400720852 /nfs/dbraw/zinc/72/08/52/400720852.db2.gz ZVRAWNSDEVVADD-CYBMUJFWSA-N 1 0 318.402 3.300 20 5 DGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cccnc2[N+](=O)[O-])C1 ZINC000603860709 400725435 /nfs/dbraw/zinc/72/54/35/400725435.db2.gz UPKJEUUYZVVXMI-ZIAGYGMSSA-N 1 0 306.410 3.160 20 5 DGBDRO C[NH+](C)CCOc1ccc(CNc2ccccc2[N+](=O)[O-])cc1 ZINC000052407921 400728958 /nfs/dbraw/zinc/72/89/58/400728958.db2.gz QYFRGLKXOZXNBH-UHFFFAOYSA-N 1 0 315.373 3.147 20 5 DGBDRO C[N@H+](CCOc1ccccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000052687103 400743033 /nfs/dbraw/zinc/74/30/33/400743033.db2.gz XUKDCAHUDQUWDR-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO Cc1cc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)on1 ZINC000052822090 400749238 /nfs/dbraw/zinc/74/92/38/400749238.db2.gz NHVKDISNGWWTRD-HNNXBMFYSA-N 1 0 301.346 3.271 20 5 DGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000603662099 400707104 /nfs/dbraw/zinc/70/71/04/400707104.db2.gz IFKFQWIDXPPTQB-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO CC[NH+]1CCC(CCNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000078401593 400797791 /nfs/dbraw/zinc/79/77/91/400797791.db2.gz FPAVSGPUFHRVNH-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000358151201 285983853 /nfs/dbraw/zinc/98/38/53/285983853.db2.gz CLCCBKKPNYQSHI-LRDDRELGSA-N 1 0 318.348 3.427 20 5 DGBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCC(C)(C)C1 ZINC000619433967 400848301 /nfs/dbraw/zinc/84/83/01/400848301.db2.gz CLOJXKPDOUKNPX-ZDUSSCGKSA-N 1 0 320.389 3.377 20 5 DGBDRO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)S1 ZINC000599050093 400939853 /nfs/dbraw/zinc/93/98/53/400939853.db2.gz VRUQAJTUJIWEJR-PHIMTYICSA-N 1 0 303.387 3.473 20 5 DGBDRO C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)S1 ZINC000599050094 400940438 /nfs/dbraw/zinc/94/04/38/400940438.db2.gz VRUQAJTUJIWEJR-QWRGUYRKSA-N 1 0 303.387 3.473 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@H]1CCCOC1)C1CC1 ZINC000599056064 400941481 /nfs/dbraw/zinc/94/14/81/400941481.db2.gz JFXNUCHLRPVSEB-PBHICJAKSA-N 1 0 318.417 3.322 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000599058030 400943534 /nfs/dbraw/zinc/94/35/34/400943534.db2.gz IAGBTNHKLJQLQC-MAUKXSAKSA-N 1 0 324.380 3.313 20 5 DGBDRO CC(C)CC[C@@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000599068791 400948490 /nfs/dbraw/zinc/94/84/90/400948490.db2.gz PINXHXHCXYNZPN-HOCLYGCPSA-N 1 0 308.422 3.303 20 5 DGBDRO C[C@@H]1C[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])[C@H](C)O1 ZINC000599086658 400955399 /nfs/dbraw/zinc/95/53/99/400955399.db2.gz RMNGEVSOTGERHE-MDZLAQPJSA-N 1 0 301.346 3.368 20 5 DGBDRO CC[C@@]1(CO)CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599071859 400949797 /nfs/dbraw/zinc/94/97/97/400949797.db2.gz UVMPTSKNSJGKDJ-QGZVFWFLSA-N 1 0 315.373 3.132 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CC3(CCC3)C2)n1 ZINC000593722158 400899107 /nfs/dbraw/zinc/89/91/07/400899107.db2.gz VFWFUJGCJQXTSW-KBPBESRZSA-N 1 0 304.394 3.197 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccsc1 ZINC000619783324 400906501 /nfs/dbraw/zinc/90/65/01/400906501.db2.gz QJLLACNMCRLOPV-LLVKDONJSA-N 1 0 319.386 3.254 20 5 DGBDRO O=[N+]([O-])c1c(NC2CC[NH+](C3CC3)CC2)ccc2cnccc21 ZINC000599023024 400929609 /nfs/dbraw/zinc/92/96/09/400929609.db2.gz PVSYVYQTPKULRV-UHFFFAOYSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(CO)CC2)s1 ZINC000080247656 400935771 /nfs/dbraw/zinc/93/57/71/400935771.db2.gz CFBWRBVEDWXOCS-UHFFFAOYSA-N 1 0 318.398 3.185 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000599041485 400935821 /nfs/dbraw/zinc/93/58/21/400935821.db2.gz DNBBHOHWTRYATP-ABAIWWIYSA-N 1 0 312.797 3.338 20 5 DGBDRO C[C@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)C1CC[NH+](C)CC1 ZINC000599043257 400936299 /nfs/dbraw/zinc/93/62/99/400936299.db2.gz HLEFFSQTMGYCMQ-LBPRGKRZSA-N 1 0 314.389 3.285 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000599090616 400956861 /nfs/dbraw/zinc/95/68/61/400956861.db2.gz ANGIDFVNLAFVMD-TUUVXOQKSA-N 1 0 304.390 3.073 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599098604 400960730 /nfs/dbraw/zinc/96/07/30/400960730.db2.gz NFFQNHXAFYKKDO-ZDUSSCGKSA-N 1 0 314.389 3.428 20 5 DGBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000080536881 400961164 /nfs/dbraw/zinc/96/11/64/400961164.db2.gz WCYRMQLCVPYXJL-UHFFFAOYSA-N 1 0 307.394 3.028 20 5 DGBDRO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000080677931 400977504 /nfs/dbraw/zinc/97/75/04/400977504.db2.gz JOFRUMSBJMZADY-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO C[C@H]1C[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000599444464 401050716 /nfs/dbraw/zinc/05/07/16/401050716.db2.gz XFXRSRLVPVSLPG-HJWJTTGWSA-N 1 0 318.417 3.356 20 5 DGBDRO COc1ccccc1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594490893 401078056 /nfs/dbraw/zinc/07/80/56/401078056.db2.gz UBWBAIFZHPAJJW-MRXNPFEDSA-N 1 0 312.369 3.423 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248883651 401079491 /nfs/dbraw/zinc/07/94/91/401079491.db2.gz LLPBYZMGILTPLL-GUYCJALGSA-N 1 0 305.422 3.292 20 5 DGBDRO COC1CCC([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265167826 401124061 /nfs/dbraw/zinc/12/40/61/401124061.db2.gz AOIVPRYIXSHIGV-UHFFFAOYSA-N 1 0 322.405 3.253 20 5 DGBDRO C[C@@H](O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000594615411 401135833 /nfs/dbraw/zinc/13/58/33/401135833.db2.gz OHRMZYXTTOOGAX-GFCCVEGCSA-N 1 0 316.357 3.200 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594519382 401097892 /nfs/dbraw/zinc/09/78/92/401097892.db2.gz KGDYYXIJOOEUJS-IAOVAPTHSA-N 1 0 303.406 3.262 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594521251 401099209 /nfs/dbraw/zinc/09/92/09/401099209.db2.gz STYGJTLTHPLQQL-JKSUJKDBSA-N 1 0 303.406 3.010 20 5 DGBDRO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000615833510 401161391 /nfs/dbraw/zinc/16/13/91/401161391.db2.gz VASDHWZUSNJYPM-IHWMJMDHSA-N 1 0 304.390 3.357 20 5 DGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc2ccccc2c1 ZINC000358259163 286013395 /nfs/dbraw/zinc/01/33/95/286013395.db2.gz GQFJOKQMPZDCNF-UHFFFAOYSA-N 1 0 310.357 3.077 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](CO)CCSC)c1cccc([N+](=O)[O-])c1 ZINC000358292178 286022194 /nfs/dbraw/zinc/02/21/94/286022194.db2.gz HCADOMFKBXDNIB-HIFRSBDPSA-N 1 0 312.435 3.140 20 5 DGBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000600169461 401206651 /nfs/dbraw/zinc/20/66/51/401206651.db2.gz UCSBVBAVAKINJT-ZDUSSCGKSA-N 1 0 318.373 3.448 20 5 DGBDRO O=[N+]([O-])c1cccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000594977267 401216060 /nfs/dbraw/zinc/21/60/60/401216060.db2.gz ITNDPQCMKOAXOK-OAHLLOKOSA-N 1 0 303.406 3.091 20 5 DGBDRO COc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595002877 401226087 /nfs/dbraw/zinc/22/60/87/401226087.db2.gz AJJWONRDAIGJLB-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO CCCN1CC[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000594991916 401220010 /nfs/dbraw/zinc/22/00/10/401220010.db2.gz NKPZNWNQKZKIIA-DKGMDFAASA-N 1 0 303.406 3.072 20 5 DGBDRO COCc1csc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000594987086 401220619 /nfs/dbraw/zinc/22/06/19/401220619.db2.gz WIKZWRCAJAENHJ-UHFFFAOYSA-N 1 0 306.387 3.401 20 5 DGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000065533083 401270514 /nfs/dbraw/zinc/27/05/14/401270514.db2.gz GOWVYXUBYAPHHT-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000595016459 401232138 /nfs/dbraw/zinc/23/21/38/401232138.db2.gz KQEDZSZMOPVLAZ-RYUDHWBXSA-N 1 0 308.378 3.069 20 5 DGBDRO CCC1(O)CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595015318 401232379 /nfs/dbraw/zinc/23/23/79/401232379.db2.gz SOGBZCVEQBIUGO-POZPTJLLSA-N 1 0 322.405 3.338 20 5 DGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000065208718 401261155 /nfs/dbraw/zinc/26/11/55/401261155.db2.gz RIGWBCDNSJLSFS-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCC(C)CC1 ZINC000358759976 286146085 /nfs/dbraw/zinc/14/60/85/286146085.db2.gz QSZQTABDHAVHNB-OAHLLOKOSA-N 1 0 306.410 3.158 20 5 DGBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000359292040 286276841 /nfs/dbraw/zinc/27/68/41/286276841.db2.gz FJJMVYXUNGOEHX-OAHLLOKOSA-N 1 0 322.796 3.432 20 5 DGBDRO CCC(=O)c1ccc(NCC[N@@H+](C)[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000359488992 286318982 /nfs/dbraw/zinc/31/89/82/286318982.db2.gz YJQXIGVCIOZXCT-GFCCVEGCSA-N 1 0 307.394 3.330 20 5 DGBDRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000359951821 286395975 /nfs/dbraw/zinc/39/59/75/286395975.db2.gz FGWFULCNTXUSAS-JSGCOSHPSA-N 1 0 307.369 3.105 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000360636705 286511886 /nfs/dbraw/zinc/51/18/86/286511886.db2.gz JMJWPUBPBAMRDJ-UHFFFAOYSA-N 1 0 320.780 3.282 20 5 DGBDRO CC[C@@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000488031250 286744705 /nfs/dbraw/zinc/74/47/05/286744705.db2.gz KNRQOIOFCKOJBR-HIFRSBDPSA-N 1 0 321.421 3.201 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000193863805 165333551 /nfs/dbraw/zinc/33/35/51/165333551.db2.gz HKCAORCSBVTRFH-AWEZNQCLSA-N 1 0 300.362 3.006 20 5 DGBDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230143276 165392661 /nfs/dbraw/zinc/39/26/61/165392661.db2.gz RAWVOJQJHLIJQO-GFCCVEGCSA-N 1 0 300.786 3.135 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000269069042 432153446 /nfs/dbraw/zinc/15/34/46/432153446.db2.gz MGYBRBXPVFJLCU-AFAVFJNCSA-N 1 0 303.406 3.118 20 5 DGBDRO C[C@H]1CC[C@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000190609547 432174610 /nfs/dbraw/zinc/17/46/10/432174610.db2.gz WOPBIAYCZIXUIY-SUMWQHHRSA-N 1 0 320.389 3.006 20 5 DGBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626946 432189327 /nfs/dbraw/zinc/18/93/27/432189327.db2.gz DCMQSUGNNIYSBJ-OSRSDYAFSA-N 1 0 304.390 3.281 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000247098159 432201740 /nfs/dbraw/zinc/20/17/40/432201740.db2.gz PXDBTDDYQQRRES-CABCVRRESA-N 1 0 305.422 3.286 20 5 DGBDRO CC[C@@H](C)N(C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247111850 432203177 /nfs/dbraw/zinc/20/31/77/432203177.db2.gz TVCNZAULTDSVFP-RHSMWYFYSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@H](O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000130671635 196100610 /nfs/dbraw/zinc/10/06/10/196100610.db2.gz ITRMCCBDHMPFPH-JTQLQIEISA-N 1 0 324.764 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000131708608 196192933 /nfs/dbraw/zinc/19/29/33/196192933.db2.gz UTRRBHWSGQUHHD-GFCCVEGCSA-N 1 0 309.797 3.170 20 5 DGBDRO C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296694471 226131791 /nfs/dbraw/zinc/13/17/91/226131791.db2.gz KEXBMDJGBJTACO-LBPRGKRZSA-N 1 0 308.378 3.367 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000182294044 228368054 /nfs/dbraw/zinc/36/80/54/228368054.db2.gz JPPLKEJEDWHWCH-LBPRGKRZSA-N 1 0 314.341 3.483 20 5 DGBDRO Cc1ccnc(Nc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000301306965 229619458 /nfs/dbraw/zinc/61/94/58/229619458.db2.gz VJIJHSVANAVATI-UHFFFAOYSA-N 1 0 300.362 3.146 20 5 DGBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411818542 229837451 /nfs/dbraw/zinc/83/74/51/229837451.db2.gz OWGUGNUTDAIVCZ-SUMWQHHRSA-N 1 0 319.405 3.482 20 5 DGBDRO Cc1cc(NCC(C)(C)C[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000301988916 230023318 /nfs/dbraw/zinc/02/33/18/230023318.db2.gz DYFLYEZZHVSJAW-UHFFFAOYSA-N 1 0 316.405 3.451 20 5 DGBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302004817 230029817 /nfs/dbraw/zinc/02/98/17/230029817.db2.gz KOGSRVADKBXHCA-CYBMUJFWSA-N 1 0 314.389 3.205 20 5 DGBDRO Cc1cc(N2CCC[C@H]([C@@H](C)O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302058211 230072163 /nfs/dbraw/zinc/07/21/63/230072163.db2.gz BKYKMCZFOOZAIM-OLZOCXBDSA-N 1 0 315.373 3.049 20 5 DGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413055809 230122167 /nfs/dbraw/zinc/12/21/67/230122167.db2.gz BPNQCBFJMYQPHZ-CHWSQXEVSA-N 1 0 324.400 3.299 20 5 DGBDRO C[C@H](C[NH+]1CCCCC1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413092659 230129448 /nfs/dbraw/zinc/12/94/48/230129448.db2.gz MJHDJPCTMKXDEA-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000179424812 263557730 /nfs/dbraw/zinc/55/77/30/263557730.db2.gz XLUFTXSDUVKGGK-GXTWGEPZSA-N 1 0 324.421 3.441 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CCCOC(F)F)cc1[N+](=O)[O-] ZINC000193664393 263798251 /nfs/dbraw/zinc/79/82/51/263798251.db2.gz VBLCTGCRPBOGMB-UHFFFAOYSA-N 1 0 302.321 3.437 20 5 DGBDRO CSCC[C@@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000346526163 264046751 /nfs/dbraw/zinc/04/67/51/264046751.db2.gz XPDLSUKRWQSCRA-CYBMUJFWSA-N 1 0 312.435 3.437 20 5 DGBDRO CCc1ccc([C@@H]([NH2+][C@H](C)CCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346595746 264060949 /nfs/dbraw/zinc/06/09/49/264060949.db2.gz FYJXXBOCUICBCL-PXAZEXFGSA-N 1 0 318.373 3.200 20 5 DGBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347023850 264141946 /nfs/dbraw/zinc/14/19/46/264141946.db2.gz QDEBIIFYCSWIPP-OAHLLOKOSA-N 1 0 315.373 3.039 20 5 DGBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000347022384 264142101 /nfs/dbraw/zinc/14/21/01/264142101.db2.gz OCSDTMXXFTUIFR-HNNXBMFYSA-N 1 0 305.422 3.150 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1[NH3+] ZINC000347043366 264146262 /nfs/dbraw/zinc/14/62/62/264146262.db2.gz MEKYLUPSNFMDDB-WBMJQRKESA-N 1 0 315.373 3.024 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1[NH3+] ZINC000347140044 264163860 /nfs/dbraw/zinc/16/38/60/264163860.db2.gz VYYBXBCSMFYITF-DOMZBBRYSA-N 1 0 315.373 3.024 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347637837 264256467 /nfs/dbraw/zinc/25/64/67/264256467.db2.gz IOGOOSPSJVPTIP-VXGBXAGGSA-N 1 0 301.346 3.410 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN(C)C ZINC000348293495 264383726 /nfs/dbraw/zinc/38/37/26/264383726.db2.gz PICPNSQTEZESBR-STQMWFEESA-N 1 0 311.451 3.005 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCOC1 ZINC000348719000 264442087 /nfs/dbraw/zinc/44/20/87/264442087.db2.gz ZHOKWLWIMMABCP-CYBMUJFWSA-N 1 0 316.357 3.466 20 5 DGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352799473 265171667 /nfs/dbraw/zinc/17/16/67/265171667.db2.gz YOIJHIBWDVYMNU-IUODEOHRSA-N 1 0 323.824 3.307 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000352965799 265249379 /nfs/dbraw/zinc/24/93/79/265249379.db2.gz JPYYSGSMZLGODT-LLVKDONJSA-N 1 0 322.796 3.358 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000353011377 265264133 /nfs/dbraw/zinc/26/41/33/265264133.db2.gz WSAYKPFNFGQBPS-MAUKXSAKSA-N 1 0 317.433 3.244 20 5 DGBDRO Cn1ccnc1[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000353046532 265279750 /nfs/dbraw/zinc/27/97/50/265279750.db2.gz KRHXWNDXGDVNIZ-NBUZRDOWSA-N 1 0 312.373 3.082 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1O ZINC000353252842 265363740 /nfs/dbraw/zinc/36/37/40/265363740.db2.gz KJBCXLQZARRKOR-LBPRGKRZSA-N 1 0 316.357 3.202 20 5 DGBDRO Cc1ccccc1-n1nccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000354551950 265807886 /nfs/dbraw/zinc/80/78/86/265807886.db2.gz ZTCIGTQUAAVTBL-UHFFFAOYSA-N 1 0 322.368 3.379 20 5 DGBDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000355587569 266123257 /nfs/dbraw/zinc/12/32/57/266123257.db2.gz QFFKGZNMXOENMZ-UHFFFAOYSA-N 1 0 324.340 3.373 20 5 DGBDRO CC[N@H+](CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C(C)C ZINC000355596174 266126512 /nfs/dbraw/zinc/12/65/12/266126512.db2.gz ICLAFLFWUSUQSC-UHFFFAOYSA-N 1 0 322.409 3.063 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000355599133 266127843 /nfs/dbraw/zinc/12/78/43/266127843.db2.gz BQXCMNUGVXJEEQ-NWDGAFQWSA-N 1 0 308.378 3.138 20 5 DGBDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000355599136 266128263 /nfs/dbraw/zinc/12/82/63/266128263.db2.gz BQXCMNUGVXJEEQ-RYUDHWBXSA-N 1 0 308.378 3.138 20 5 DGBDRO COc1cc(C[N@H+](CC2CC2)C2CCC2)c([N+](=O)[O-])cc1OC ZINC000355682729 266155811 /nfs/dbraw/zinc/15/58/11/266155811.db2.gz PRZFADORRXQYSC-UHFFFAOYSA-N 1 0 320.389 3.377 20 5 DGBDRO CC(C)[NH+](CCN(C)CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000356384006 266375586 /nfs/dbraw/zinc/37/55/86/266375586.db2.gz KSRXQMCCCUJARU-UHFFFAOYSA-N 1 0 323.437 3.024 20 5 DGBDRO CCCn1nc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000359814007 270990615 /nfs/dbraw/zinc/99/06/15/270990615.db2.gz IBZMCVJBWGORON-UHFFFAOYSA-N 1 0 316.405 3.416 20 5 DGBDRO O=C(CC[NH+]1CCC2(CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000367554459 271042022 /nfs/dbraw/zinc/04/20/22/271042022.db2.gz SWUNKFUGNIOMIZ-UHFFFAOYSA-N 1 0 317.389 3.190 20 5 DGBDRO Cc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1 ZINC000369683607 271310107 /nfs/dbraw/zinc/31/01/07/271310107.db2.gz NGPJTXCKGCPVMT-UHFFFAOYSA-N 1 0 314.389 3.245 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000373240987 271614699 /nfs/dbraw/zinc/61/46/99/271614699.db2.gz IVZGRAJIDQRSRN-UHFFFAOYSA-N 1 0 320.780 3.282 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153605237 273498546 /nfs/dbraw/zinc/49/85/46/273498546.db2.gz OGGUSFRJDTVEMR-UHFFFAOYSA-N 1 0 312.801 3.318 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCN2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433135061 273587413 /nfs/dbraw/zinc/58/74/13/273587413.db2.gz SPKUWIZFLWRHIY-MRXNPFEDSA-N 1 0 303.406 3.003 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413265773 273807093 /nfs/dbraw/zinc/80/70/93/273807093.db2.gz NSKJZZUWVOWOKD-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000277180049 273816459 /nfs/dbraw/zinc/81/64/59/273816459.db2.gz NKJXVIADJYWYJX-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO COC[C@H]([NH2+]Cc1cc(=O)oc2ccc3ccccc3c12)C1CC1 ZINC000136658727 274050340 /nfs/dbraw/zinc/05/03/40/274050340.db2.gz KCYTVLKDXXNHQV-KRWDZBQOSA-N 1 0 323.392 3.461 20 5 DGBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000123718589 274274263 /nfs/dbraw/zinc/27/42/63/274274263.db2.gz IJEIRVFQMYWXKU-VXGBXAGGSA-N 1 0 312.797 3.374 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000336969559 274286835 /nfs/dbraw/zinc/28/68/35/274286835.db2.gz BOLCZFSGWVTTMD-HIFRSBDPSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000449285838 274317110 /nfs/dbraw/zinc/31/71/10/274317110.db2.gz SYPUCSGSKMKLBK-SUNKGSAMSA-N 1 0 302.378 3.385 20 5 DGBDRO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000420190682 274360480 /nfs/dbraw/zinc/36/04/80/274360480.db2.gz QWVWNVWGRGRSQP-GMSGAONNSA-N 1 0 304.177 3.075 20 5 DGBDRO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000152808201 274513142 /nfs/dbraw/zinc/51/31/42/274513142.db2.gz QJWJZYYCXMUEKS-ZDUSSCGKSA-N 1 0 314.389 3.021 20 5 DGBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339123057 274634677 /nfs/dbraw/zinc/63/46/77/274634677.db2.gz FLMHKDSWGNYMGK-RNCFNFMXSA-N 1 0 318.295 3.271 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161977594 274763766 /nfs/dbraw/zinc/76/37/66/274763766.db2.gz GFRUKUOQIVZVFO-YUDUHTQSSA-N 1 0 304.390 3.367 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000154095426 275033558 /nfs/dbraw/zinc/03/35/58/275033558.db2.gz NAZKGHJWFZTMPL-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCn1cccn1)CCCC2 ZINC000417302348 275038046 /nfs/dbraw/zinc/03/80/46/275038046.db2.gz BBUIUGKJKLMFPW-QGZVFWFLSA-N 1 0 314.389 3.239 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1c3ccccc3C[C@H]1O)CCC2 ZINC000192943807 275038435 /nfs/dbraw/zinc/03/84/35/275038435.db2.gz GJZVSACZJSCFBC-GUDVDZBRSA-N 1 0 324.380 3.220 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427864778 276045303 /nfs/dbraw/zinc/04/53/03/276045303.db2.gz FTHOJMZCTGHCRK-ZBFHGGJFSA-N 1 0 314.389 3.237 20 5 DGBDRO CC[NH+](CC)CCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000338273498 276096113 /nfs/dbraw/zinc/09/61/13/276096113.db2.gz FWDAYJADOLTROT-UHFFFAOYSA-N 1 0 305.422 3.291 20 5 DGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000278335331 276096123 /nfs/dbraw/zinc/09/61/23/276096123.db2.gz MMHATEQKMPUDMP-UHFFFAOYSA-N 1 0 321.421 3.097 20 5 DGBDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000236846586 276113856 /nfs/dbraw/zinc/11/38/56/276113856.db2.gz YYWIBQJQIWGTKH-INIZCTEOSA-N 1 0 317.389 3.361 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCOC2(C)C)c2cc([N+](=O)[O-])ccc21 ZINC000331576418 276149024 /nfs/dbraw/zinc/14/90/24/276149024.db2.gz LDCIIQKWLHHEED-LSDHHAIUSA-N 1 0 304.390 3.474 20 5 DGBDRO CCN1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175880 276174479 /nfs/dbraw/zinc/17/44/79/276174479.db2.gz NEFNFOLNYZZDIW-RHSMWYFYSA-N 1 0 317.433 3.391 20 5 DGBDRO CCCC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447583950 276225220 /nfs/dbraw/zinc/22/52/20/276225220.db2.gz CWGKFFGYOCHFOL-KGLIPLIRSA-N 1 0 306.410 3.445 20 5 DGBDRO CCCN(CC[NH+](CC)CC)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000460941709 276253670 /nfs/dbraw/zinc/25/36/70/276253670.db2.gz YFMRDLWBDSNBQI-UHFFFAOYSA-N 1 0 314.817 3.201 20 5 DGBDRO CCO[C@@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000302208655 276337419 /nfs/dbraw/zinc/33/74/19/276337419.db2.gz XUUURTNGDOQFFG-CQSZACIVSA-N 1 0 315.373 3.457 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000480513012 429721981 /nfs/dbraw/zinc/72/19/81/429721981.db2.gz CICUDANOOJKFCR-AWEZNQCLSA-N 1 0 306.410 3.365 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000277264526 276831971 /nfs/dbraw/zinc/83/19/71/276831971.db2.gz XFEBPBVEZWRVJU-CQSZACIVSA-N 1 0 314.389 3.064 20 5 DGBDRO CC(C)C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447580539 277337827 /nfs/dbraw/zinc/33/78/27/277337827.db2.gz OTWFHLDCMLQUHI-UONOGXRCSA-N 1 0 306.410 3.301 20 5 DGBDRO CO[C@@H]1CC[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433083983 277661659 /nfs/dbraw/zinc/66/16/59/277661659.db2.gz PRZXFOSBQPIIMH-GHJWDPDVSA-N 1 0 304.390 3.474 20 5 DGBDRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000467438041 277712867 /nfs/dbraw/zinc/71/28/67/277712867.db2.gz YMRMDSFCEIVBCU-TUVASFSCSA-N 1 0 306.410 3.301 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])O1 ZINC000453413350 277793023 /nfs/dbraw/zinc/79/30/23/277793023.db2.gz RQRRFAVZIAKSRQ-WTTBNOFXSA-N 1 0 318.417 3.463 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266712197 278312905 /nfs/dbraw/zinc/31/29/05/278312905.db2.gz FGAABFLTAGJMKC-CVEARBPZSA-N 1 0 317.433 3.464 20 5 DGBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000261988271 278317654 /nfs/dbraw/zinc/31/76/54/278317654.db2.gz SOIDKUBEXBNHHX-ZJUUUORDSA-N 1 0 317.311 3.177 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000266518988 278421798 /nfs/dbraw/zinc/42/17/98/278421798.db2.gz HSRBNIFZMOBBNS-GJZGRUSLSA-N 1 0 303.406 3.216 20 5 DGBDRO C[C@H]1CCC[N@H+](CCNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000108079707 431120471 /nfs/dbraw/zinc/12/04/71/431120471.db2.gz RLURQXHDQSPPDR-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182827339 279037076 /nfs/dbraw/zinc/03/70/76/279037076.db2.gz KYSJMJIAVXXARN-GJZGRUSLSA-N 1 0 305.422 3.238 20 5 DGBDRO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449133397 279133752 /nfs/dbraw/zinc/13/37/52/279133752.db2.gz YHTMOISIRQVIAU-GDBMZVCRSA-N 1 0 307.438 3.092 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC1CCC1 ZINC000279811393 279275161 /nfs/dbraw/zinc/27/51/61/279275161.db2.gz ONPQVESVJIDKTE-CZUORRHYSA-N 1 0 306.406 3.057 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000068836601 431144958 /nfs/dbraw/zinc/14/49/58/431144958.db2.gz OSYLRUIQIMQZEY-INIZCTEOSA-N 1 0 303.337 3.449 20 5 DGBDRO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178280546 279459060 /nfs/dbraw/zinc/45/90/60/279459060.db2.gz AEHFYUDJMAHMEP-ZDUSSCGKSA-N 1 0 319.405 3.037 20 5 DGBDRO CC[C@@H]([NH2+]CCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000108943114 431160722 /nfs/dbraw/zinc/16/07/22/431160722.db2.gz LHQPQCDJMIMWPG-GFCCVEGCSA-N 1 0 306.284 3.214 20 5 DGBDRO CC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000111384739 431215442 /nfs/dbraw/zinc/21/54/42/431215442.db2.gz MYOBVOWBCDRGQT-INIZCTEOSA-N 1 0 304.346 3.105 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000007783669 431361271 /nfs/dbraw/zinc/36/12/71/431361271.db2.gz TYSOGAVFVDBGNL-CYBMUJFWSA-N 1 0 313.357 3.193 20 5 DGBDRO CC(C)[NH2+]C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116277129 431500129 /nfs/dbraw/zinc/50/01/29/431500129.db2.gz QIISLKIABFFTBF-UHFFFAOYSA-N 1 0 311.813 3.211 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451499392 280372154 /nfs/dbraw/zinc/37/21/54/280372154.db2.gz YGRLPLXYCSIDTP-COLVAYQJSA-N 1 0 322.792 3.295 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)C1 ZINC000119159838 431652965 /nfs/dbraw/zinc/65/29/65/431652965.db2.gz NXHXKYWKKFTWOZ-VXGBXAGGSA-N 1 0 316.361 3.265 20 5 DGBDRO CC(C)(C)OC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119060180 431639181 /nfs/dbraw/zinc/63/91/81/431639181.db2.gz KEGYINKKVILNCL-UHFFFAOYSA-N 1 0 322.405 3.253 20 5 DGBDRO CCC[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119115697 431649955 /nfs/dbraw/zinc/64/99/55/431649955.db2.gz AEGXAXOQNNTBSR-IRXDYDNUSA-N 1 0 322.405 3.221 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000119504242 431700970 /nfs/dbraw/zinc/70/09/70/431700970.db2.gz PWLXGOGFDHFSRU-MCIONIFRSA-N 1 0 319.405 3.338 20 5 DGBDRO CC(C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC1 ZINC000119704153 431714005 /nfs/dbraw/zinc/71/40/05/431714005.db2.gz SGONDSWJHFUPSQ-UHFFFAOYSA-N 1 0 316.361 3.408 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633189 431799465 /nfs/dbraw/zinc/79/94/65/431799465.db2.gz IUDIMXOFDISXRV-GOEBONIOSA-N 1 0 317.433 3.320 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000080748725 431774549 /nfs/dbraw/zinc/77/45/49/431774549.db2.gz MKHNTJNYISLDKU-AWEZNQCLSA-N 1 0 319.405 3.210 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000123000741 431851598 /nfs/dbraw/zinc/85/15/98/431851598.db2.gz RYJMGQRRTGCIND-GXTWGEPZSA-N 1 0 319.405 3.210 20 5 DGBDRO CCOC(=O)CCCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606107 431859053 /nfs/dbraw/zinc/85/90/53/431859053.db2.gz HQBGKKBDPJZBHY-UHFFFAOYSA-N 1 0 320.389 3.076 20 5 DGBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000123717840 431872233 /nfs/dbraw/zinc/87/22/33/431872233.db2.gz IJEIRVFQMYWXKU-RYUDHWBXSA-N 1 0 312.797 3.374 20 5 DGBDRO CC(C)c1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253672 431908724 /nfs/dbraw/zinc/90/87/24/431908724.db2.gz XFFXYEAGEPRDOQ-MRXNPFEDSA-N 1 0 319.449 3.492 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000125306807 431921589 /nfs/dbraw/zinc/92/15/89/431921589.db2.gz VLVFULDLZPRVOG-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123764270 431874146 /nfs/dbraw/zinc/87/41/46/431874146.db2.gz HQVSWFSBXUTKHH-BXUZGUMPSA-N 1 0 312.797 3.374 20 5 DGBDRO C[C@@H](C1CC1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883302 431884090 /nfs/dbraw/zinc/88/40/90/431884090.db2.gz QQDKNFSYZHGTQC-NSHDSACASA-N 1 0 301.346 3.480 20 5 DGBDRO CC(C)c1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000091899423 431906725 /nfs/dbraw/zinc/90/67/25/431906725.db2.gz WSUWIYWDBGPOSP-YOEHRIQHSA-N 1 0 306.406 3.311 20 5 DGBDRO CCC[C@H]([NH2+]CCCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000127072464 431963990 /nfs/dbraw/zinc/96/39/90/431963990.db2.gz MTVNUDDZIRWVHN-INIZCTEOSA-N 1 0 302.378 3.312 20 5 DGBDRO C[N@H+](CCC1CCCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000101565849 431986690 /nfs/dbraw/zinc/98/66/90/431986690.db2.gz NYHMIECVBGXLMQ-UHFFFAOYSA-N 1 0 319.405 3.096 20 5 DGBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492002020 281199884 /nfs/dbraw/zinc/19/98/84/281199884.db2.gz RIFZHMALXOGCFC-STQMWFEESA-N 1 0 323.824 3.307 20 5 DGBDRO CC(C)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000128270531 431991420 /nfs/dbraw/zinc/99/14/20/431991420.db2.gz YKJPJGRBYKQACP-UHFFFAOYSA-N 1 0 323.368 3.183 20 5 DGBDRO CCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270674479 432274961 /nfs/dbraw/zinc/27/49/61/432274961.db2.gz BCQSBNRZBQPAPV-SNVBAGLBSA-N 1 0 313.785 3.307 20 5 DGBDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000191640617 432285775 /nfs/dbraw/zinc/28/57/75/432285775.db2.gz NCOSGWPZCBWNHK-NHIYQJMISA-N 1 0 306.406 3.319 20 5 DGBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000191640592 432286222 /nfs/dbraw/zinc/28/62/22/432286222.db2.gz NCOSGWPZCBWNHK-DSJMHWKBSA-N 1 0 306.406 3.319 20 5 DGBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)C ZINC000128464616 431995144 /nfs/dbraw/zinc/99/51/44/431995144.db2.gz AUMHBWQECVIZIK-UHFFFAOYSA-N 1 0 311.357 3.040 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000271070133 432327201 /nfs/dbraw/zinc/32/72/01/432327201.db2.gz DZSHYFLBVGMRFF-MGPQQGTHSA-N 1 0 324.446 3.480 20 5 DGBDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000271148390 432337243 /nfs/dbraw/zinc/33/72/43/432337243.db2.gz PYCIFPWGCUPNHZ-ZIAGYGMSSA-N 1 0 324.421 3.443 20 5 DGBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000271206155 432353258 /nfs/dbraw/zinc/35/32/58/432353258.db2.gz WGUSLQOBCYCYLV-AWEZNQCLSA-N 1 0 302.330 3.076 20 5 DGBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183681994 432315891 /nfs/dbraw/zinc/31/58/91/432315891.db2.gz BYSJWYCYJIQDSF-CYBMUJFWSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174878256 432375926 /nfs/dbraw/zinc/37/59/26/432375926.db2.gz ATFGGHQBXOGDNK-WBMJQRKESA-N 1 0 318.352 3.014 20 5 DGBDRO CC[C@H](CSC)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184297102 432376782 /nfs/dbraw/zinc/37/67/82/432376782.db2.gz QHFLZCSQSOQMMZ-LLVKDONJSA-N 1 0 316.398 3.316 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000174921789 432380178 /nfs/dbraw/zinc/38/01/78/432380178.db2.gz LRFJXDVLIMWGGM-STQMWFEESA-N 1 0 314.389 3.428 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000192500009 432381072 /nfs/dbraw/zinc/38/10/72/432381072.db2.gz VCNKKMFFLWZDKK-ZDUSSCGKSA-N 1 0 323.441 3.044 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c2ncccc12 ZINC000271380388 432384406 /nfs/dbraw/zinc/38/44/06/432384406.db2.gz XFVMODYXIUHGAJ-CZUORRHYSA-N 1 0 312.373 3.182 20 5 DGBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000184585803 432407465 /nfs/dbraw/zinc/40/74/65/432407465.db2.gz JJMGNPMLRFWNMQ-SMDDNHRTSA-N 1 0 316.361 3.313 20 5 DGBDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000184474755 432397264 /nfs/dbraw/zinc/39/72/64/432397264.db2.gz PDCGBUFOGMMGGQ-OAHLLOKOSA-N 1 0 320.389 3.149 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000184556295 432404706 /nfs/dbraw/zinc/40/47/06/432404706.db2.gz STSNPQQPDOOWGD-KBXCAEBGSA-N 1 0 314.385 3.239 20 5 DGBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000271273973 432366851 /nfs/dbraw/zinc/36/68/51/432366851.db2.gz KKJUYSNXVMQESF-LRDDRELGSA-N 1 0 316.357 3.058 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C(CC)CC)cc1[N+](=O)[O-] ZINC000153734237 432436892 /nfs/dbraw/zinc/43/68/92/432436892.db2.gz BZAYYYPZIZPREC-WBMJQRKESA-N 1 0 324.421 3.441 20 5 DGBDRO CCC(CC)(CO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193047882 432444287 /nfs/dbraw/zinc/44/42/87/432444287.db2.gz FDROLGKANDIJCI-MRXNPFEDSA-N 1 0 306.406 3.361 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000153819331 432446831 /nfs/dbraw/zinc/44/68/31/432446831.db2.gz WFRXJXUIGRLSET-AEFFLSMTSA-N 1 0 312.369 3.118 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCO[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000193092161 432448312 /nfs/dbraw/zinc/44/83/12/432448312.db2.gz OCFFBRKTSUPHLY-XJKSGUPXSA-N 1 0 308.378 3.097 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000271512896 432412034 /nfs/dbraw/zinc/41/20/34/432412034.db2.gz NIKSNNCCIKJCDP-MBNYWOFBSA-N 1 0 308.378 3.212 20 5 DGBDRO C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCS1 ZINC000153494706 432412786 /nfs/dbraw/zinc/41/27/86/432412786.db2.gz PFXVPQAABJHXJQ-NSHDSACASA-N 1 0 319.386 3.187 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCOc2ncccc2F)cccc1[N+](=O)[O-] ZINC000271530632 432416572 /nfs/dbraw/zinc/41/65/72/432416572.db2.gz QZECUXGENBDNGX-GFCCVEGCSA-N 1 0 319.336 3.167 20 5 DGBDRO CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000192806270 432416829 /nfs/dbraw/zinc/41/68/29/432416829.db2.gz VXEHBBURHYNDLD-CVEARBPZSA-N 1 0 314.389 3.447 20 5 DGBDRO CCc1nc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000184694880 432422890 /nfs/dbraw/zinc/42/28/90/432422890.db2.gz WPUFOOOEKKJDEF-LLVKDONJSA-N 1 0 321.402 3.343 20 5 DGBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000184709505 432423506 /nfs/dbraw/zinc/42/35/06/432423506.db2.gz ZDWRLYFLTBXZQS-SWLSCSKDSA-N 1 0 319.405 3.142 20 5 DGBDRO CC(C)(C)C[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192877865 432424944 /nfs/dbraw/zinc/42/49/44/432424944.db2.gz MEBYSPRZGSZNBR-GDBMZVCRSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C[NH2+]1 ZINC000262139657 432476495 /nfs/dbraw/zinc/47/64/95/432476495.db2.gz ZAWWVKVBPPHJOW-OLZOCXBDSA-N 1 0 315.373 3.037 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000154241316 432484642 /nfs/dbraw/zinc/48/46/42/432484642.db2.gz WDLDLEMUFTXEIY-NFAWXSAZSA-N 1 0 322.405 3.195 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262573234 432490842 /nfs/dbraw/zinc/49/08/42/432490842.db2.gz XQYJQANEYWXGFV-HNNXBMFYSA-N 1 0 301.321 3.033 20 5 DGBDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176203367 432500312 /nfs/dbraw/zinc/50/03/12/432500312.db2.gz ZKJAYVGXVYOFSH-LBPRGKRZSA-N 1 0 314.345 3.231 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccc(Cl)cc2)C2CC2)n1 ZINC000176211866 432500521 /nfs/dbraw/zinc/50/05/21/432500521.db2.gz WNAZCYSCKXYKOM-UHFFFAOYSA-N 1 0 320.780 3.109 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000176212062 432501626 /nfs/dbraw/zinc/50/16/26/432501626.db2.gz QMBOYPJNFDMOLH-CQSZACIVSA-N 1 0 320.780 3.282 20 5 DGBDRO CCc1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1 ZINC000176208433 432501658 /nfs/dbraw/zinc/50/16/58/432501658.db2.gz OYDCTSXXLGSWEF-UHFFFAOYSA-N 1 0 314.389 3.018 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2)CC2CCC2)n1 ZINC000176217531 432501813 /nfs/dbraw/zinc/50/18/13/432501813.db2.gz UHEPIAZQLFFNRX-UHFFFAOYSA-N 1 0 314.389 3.094 20 5 DGBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(Cl)c1 ZINC000176210301 432501826 /nfs/dbraw/zinc/50/18/26/432501826.db2.gz ARMPGWHIXLXARH-UHFFFAOYSA-N 1 0 322.796 3.355 20 5 DGBDRO C[C@H]1C[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)CC[NH2+]1 ZINC000262836552 432505454 /nfs/dbraw/zinc/50/54/54/432505454.db2.gz ILHIOSLVDFLUTK-ZFWWWQNUSA-N 1 0 319.408 3.258 20 5 DGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000261949564 432463758 /nfs/dbraw/zinc/46/37/58/432463758.db2.gz MTAFRSBSNDNBTA-VHSXEESVSA-N 1 0 317.311 3.414 20 5 DGBDRO C[C@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000185110466 432466438 /nfs/dbraw/zinc/46/64/38/432466438.db2.gz IGWQKVWDHHBFQZ-INIZCTEOSA-N 1 0 320.776 3.246 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCCCC2)no1 ZINC000262017705 432469262 /nfs/dbraw/zinc/46/92/62/432469262.db2.gz XDUFCWOAVICVGF-UHFFFAOYSA-N 1 0 302.334 3.071 20 5 DGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000185654950 432519843 /nfs/dbraw/zinc/51/98/43/432519843.db2.gz JPDYNKQDPHMWIL-FZMZJTMJSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@H](NCc1csc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000185676197 432521634 /nfs/dbraw/zinc/52/16/34/432521634.db2.gz IWDNEHLHLCVRNJ-BLLLJJGKSA-N 1 0 319.430 3.437 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000185673936 432522241 /nfs/dbraw/zinc/52/22/41/432522241.db2.gz IJTINLIDBTYOCO-KSSFIOAISA-N 1 0 313.401 3.376 20 5 DGBDRO CC[NH+](CC)CCC[C@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000195167962 432610654 /nfs/dbraw/zinc/61/06/54/432610654.db2.gz FENHUPKQMSACOT-ZDUSSCGKSA-N 1 0 320.437 3.485 20 5 DGBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)C ZINC000263760038 432574811 /nfs/dbraw/zinc/57/48/11/432574811.db2.gz IBWCXPSGJYQHJU-UHFFFAOYSA-N 1 0 304.350 3.123 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000263775087 432576506 /nfs/dbraw/zinc/57/65/06/432576506.db2.gz KRXUWQSUDXXLTL-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO COc1ccccc1OCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000177109760 432586788 /nfs/dbraw/zinc/58/67/88/432586788.db2.gz LZLWYYQGBSTUSG-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000186395168 432591680 /nfs/dbraw/zinc/59/16/80/432591680.db2.gz UUFAZYDFOMDFFE-YOEHRIQHSA-N 1 0 322.405 3.157 20 5 DGBDRO C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000186480955 432598155 /nfs/dbraw/zinc/59/81/55/432598155.db2.gz ILZRQBLGFUIUTO-CYBMUJFWSA-N 1 0 324.384 3.375 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)C(C)C ZINC000263962801 432598700 /nfs/dbraw/zinc/59/87/00/432598700.db2.gz PQRANBKBDHCOMO-CYBMUJFWSA-N 1 0 307.394 3.208 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000264199931 432626135 /nfs/dbraw/zinc/62/61/35/432626135.db2.gz PGLLUFKJZWQKMV-HNNXBMFYSA-N 1 0 320.389 3.472 20 5 DGBDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218989919 432659928 /nfs/dbraw/zinc/65/99/28/432659928.db2.gz ZMZCWISEFKEBBK-LBPRGKRZSA-N 1 0 300.786 3.135 20 5 DGBDRO CCn1nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000274485202 432673873 /nfs/dbraw/zinc/67/38/73/432673873.db2.gz YSKXLDIUMHZQRM-UHFFFAOYSA-N 1 0 324.384 3.297 20 5 DGBDRO C[C@H](CCO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000266181908 432754351 /nfs/dbraw/zinc/75/43/51/432754351.db2.gz VMZOBTMGPJGCLB-GFCCVEGCSA-N 1 0 320.414 3.431 20 5 DGBDRO CC(C)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236732191 432761418 /nfs/dbraw/zinc/76/14/18/432761418.db2.gz DBSUWGMIYUJAJB-UHFFFAOYSA-N 1 0 302.378 3.131 20 5 DGBDRO CCOc1cc(N2CCC[C@@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000189078936 432761957 /nfs/dbraw/zinc/76/19/57/432761957.db2.gz SCEKZNKJMYGFKF-OAHLLOKOSA-N 1 0 319.405 3.058 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccco2)CC1 ZINC000266539618 432762359 /nfs/dbraw/zinc/76/23/59/432762359.db2.gz PFMKIYRCAFKLFS-AWEZNQCLSA-N 1 0 315.373 3.067 20 5 DGBDRO C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178652043 432762647 /nfs/dbraw/zinc/76/26/47/432762647.db2.gz JEJCIKYADGMGDN-AWEZNQCLSA-N 1 0 319.405 3.038 20 5 DGBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178718253 432769476 /nfs/dbraw/zinc/76/94/76/432769476.db2.gz XYYJUNAEKFMQAT-RYUDHWBXSA-N 1 0 302.378 3.357 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000178721236 432770015 /nfs/dbraw/zinc/77/00/15/432770015.db2.gz XEINZGHCYASNRF-BDJLRTHQSA-N 1 0 302.378 3.439 20 5 DGBDRO CCC(C)(C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266641151 432774003 /nfs/dbraw/zinc/77/40/03/432774003.db2.gz AOHVXTWDEYSUBD-UHFFFAOYSA-N 1 0 304.350 3.265 20 5 DGBDRO Cc1cc(N2CC[C@@H](O)C(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000275478062 432727337 /nfs/dbraw/zinc/72/73/37/432727337.db2.gz PFEHDCFYYLCHSP-MRXNPFEDSA-N 1 0 315.373 3.049 20 5 DGBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000267170344 432819123 /nfs/dbraw/zinc/81/91/23/432819123.db2.gz HYCHPDCJZYWHFR-YMTOWFKASA-N 1 0 310.350 3.007 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000267255965 432826858 /nfs/dbraw/zinc/82/68/58/432826858.db2.gz JHJJCUZZUBOWBR-ZIAGYGMSSA-N 1 0 307.394 3.026 20 5 DGBDRO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000162798169 432834429 /nfs/dbraw/zinc/83/44/29/432834429.db2.gz MGYQKRWZBVSFDW-MTSFUVCBSA-N 1 0 324.446 3.325 20 5 DGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000266792355 432788621 /nfs/dbraw/zinc/78/86/21/432788621.db2.gz PPCUFZJMFOPNOW-LBPRGKRZSA-N 1 0 315.329 3.396 20 5 DGBDRO CCC[NH+]1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000161619150 432789029 /nfs/dbraw/zinc/78/90/29/432789029.db2.gz NWGCBKZEUQGQCU-CQSZACIVSA-N 1 0 305.422 3.428 20 5 DGBDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266872749 432793048 /nfs/dbraw/zinc/79/30/48/432793048.db2.gz NLUJCMKVFXQIQK-ZJUUUORDSA-N 1 0 306.284 3.213 20 5 DGBDRO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)(C)C1 ZINC000266941559 432800498 /nfs/dbraw/zinc/80/04/98/432800498.db2.gz QBERQMSVMOSEGA-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161884618 432803282 /nfs/dbraw/zinc/80/32/82/432803282.db2.gz GYFQDACCVJCBLP-KDOFPFPSSA-N 1 0 315.417 3.356 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C(C)(C)C)CC1 ZINC000266966549 432803340 /nfs/dbraw/zinc/80/33/40/432803340.db2.gz JRGQYSMDFSLJSQ-UHFFFAOYSA-N 1 0 321.421 3.416 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245875568 432867436 /nfs/dbraw/zinc/86/74/36/432867436.db2.gz MOTZZISHXXDHPU-JKSUJKDBSA-N 1 0 322.430 3.081 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000246001739 432873762 /nfs/dbraw/zinc/87/37/62/432873762.db2.gz YHSDTKYOJNHRLS-RYUDHWBXSA-N 1 0 301.346 3.480 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000296247040 432888920 /nfs/dbraw/zinc/88/89/20/432888920.db2.gz CTLXNPIVKLTEHM-QWHCGFSZSA-N 1 0 310.394 3.195 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN(C[C@H]1CCOC1)C1CC1 ZINC000163313041 432849721 /nfs/dbraw/zinc/84/97/21/432849721.db2.gz MWLNLXDGBWGWBG-LLVKDONJSA-N 1 0 310.781 3.249 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCCOC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000163497953 432853695 /nfs/dbraw/zinc/85/36/95/432853695.db2.gz AMJDHEFELSUGQU-HUUCEWRRSA-N 1 0 322.405 3.140 20 5 DGBDRO CCn1ccnc1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000296554130 432922396 /nfs/dbraw/zinc/92/23/96/432922396.db2.gz TWWYHTPRTDMZRB-LLVKDONJSA-N 1 0 322.796 3.358 20 5 DGBDRO C[C@H](O)CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000279090044 432934348 /nfs/dbraw/zinc/93/43/48/432934348.db2.gz NIOYUGYVORLMIA-SQWLQELKSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279193593 432943670 /nfs/dbraw/zinc/94/36/70/432943670.db2.gz WQEHQWJKPGYVMD-HFBAOOFYSA-N 1 0 304.390 3.332 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000296354818 432899569 /nfs/dbraw/zinc/89/95/69/432899569.db2.gz RWBKXWLUBNSYEJ-IACUBPJLSA-N 1 0 310.781 3.151 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000296361660 432900251 /nfs/dbraw/zinc/90/02/51/432900251.db2.gz ITFXCVDQDNEEJA-NWDGAFQWSA-N 1 0 310.394 3.194 20 5 DGBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000330622646 432920660 /nfs/dbraw/zinc/92/06/60/432920660.db2.gz OBMFWZJHAVFVLZ-OAHLLOKOSA-N 1 0 319.405 3.068 20 5 DGBDRO C[C@@H]1C[C@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000331987540 432966141 /nfs/dbraw/zinc/96/61/41/432966141.db2.gz MCJKZRLBYXVIHF-XHBSWPGZSA-N 1 0 303.406 3.047 20 5 DGBDRO COc1ncccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000290189000 433008625 /nfs/dbraw/zinc/00/86/25/433008625.db2.gz OCXNQTXXNCOVDU-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCC3(O)CCC3)o2)c1 ZINC000341355479 433036144 /nfs/dbraw/zinc/03/61/44/433036144.db2.gz CFFHOMWJRDFLCE-UHFFFAOYSA-N 1 0 316.357 3.250 20 5 DGBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349969250 433042055 /nfs/dbraw/zinc/04/20/55/433042055.db2.gz PRNCYOVGZOKJMS-UHFFFAOYSA-N 1 0 308.378 3.067 20 5 DGBDRO CCC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000453291268 433070118 /nfs/dbraw/zinc/07/01/18/433070118.db2.gz MOQUODDTHNTWOM-XIRDDKMYSA-N 1 0 322.405 3.077 20 5 DGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453332740 433098147 /nfs/dbraw/zinc/09/81/47/433098147.db2.gz VNZVIQAKNRSUOH-KMANFZQXSA-N 1 0 318.417 3.463 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCC1 ZINC000453363708 433122014 /nfs/dbraw/zinc/12/20/14/433122014.db2.gz BXAABJYWPRYERA-DZGCQCFKSA-N 1 0 324.446 3.216 20 5 DGBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420200890 433122967 /nfs/dbraw/zinc/12/29/67/433122967.db2.gz ZTGUNXSNPDMDDZ-GXSJLCMTSA-N 1 0 317.311 3.096 20 5 DGBDRO Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420200893 433123826 /nfs/dbraw/zinc/12/38/26/433123826.db2.gz ZTGUNXSNPDMDDZ-KOLCDFICSA-N 1 0 317.311 3.096 20 5 DGBDRO Cc1cc(NCC[C@H]2CCC[NH2+]2)c2cccc([N+](=O)[O-])c2n1 ZINC000420244165 433135021 /nfs/dbraw/zinc/13/50/21/433135021.db2.gz YDXCMWGYQRCLMK-GFCCVEGCSA-N 1 0 300.362 3.005 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453381868 433139315 /nfs/dbraw/zinc/13/93/15/433139315.db2.gz RKPXZTLEBBCGBK-MAUKXSAKSA-N 1 0 318.417 3.418 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)C2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000453383776 433141413 /nfs/dbraw/zinc/14/14/13/433141413.db2.gz MMRYQPRGAUYPHV-JKSUJKDBSA-N 1 0 304.390 3.068 20 5 DGBDRO CO[C@@H]([C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000453389313 433144156 /nfs/dbraw/zinc/14/41/56/433144156.db2.gz XGXIPXGSEFUXEQ-JECHBYEQSA-N 1 0 304.390 3.375 20 5 DGBDRO CCC[C@H]([NH2+]CCc1cnc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000453399833 433152909 /nfs/dbraw/zinc/15/29/09/433152909.db2.gz LRXZBEZYTJBMHO-KRWDZBQOSA-N 1 0 314.389 3.367 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000453353590 433112144 /nfs/dbraw/zinc/11/21/44/433112144.db2.gz QMRRJFHSOSZQEH-DYVFJYSZSA-N 1 0 316.405 3.390 20 5 DGBDRO C[NH2+][C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420162759 433114042 /nfs/dbraw/zinc/11/40/42/433114042.db2.gz YVXHUPMUHZHKJO-JTQLQIEISA-N 1 0 317.311 3.110 20 5 DGBDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446843652 433114790 /nfs/dbraw/zinc/11/47/90/433114790.db2.gz OMECUXGYIHFKPM-RYUDHWBXSA-N 1 0 302.378 3.387 20 5 DGBDRO Cc1ccsc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446848740 433119117 /nfs/dbraw/zinc/11/91/17/433119117.db2.gz JLXJIUKPJFELKW-UHFFFAOYSA-N 1 0 302.359 3.131 20 5 DGBDRO Cc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C ZINC000446845917 433119430 /nfs/dbraw/zinc/11/94/30/433119430.db2.gz SNOZNAGTXRVMTQ-UHFFFAOYSA-N 1 0 310.357 3.378 20 5 DGBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000447390327 433194390 /nfs/dbraw/zinc/19/43/90/433194390.db2.gz GCEQYONLDJXWPO-QGZVFWFLSA-N 1 0 322.405 3.385 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420397897 433197171 /nfs/dbraw/zinc/19/71/71/433197171.db2.gz GANWWNDCUYHFJI-UKRRQHHQSA-N 1 0 311.385 3.354 20 5 DGBDRO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCC1 ZINC000361487390 433202502 /nfs/dbraw/zinc/20/25/02/433202502.db2.gz VLBNUUJMRIUJHX-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447530930 433216014 /nfs/dbraw/zinc/21/60/14/433216014.db2.gz PRZDIFNHNRMQEY-HOTGVXAUSA-N 1 0 314.389 3.373 20 5 DGBDRO CC(C)[N@H+](C)CCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447536912 433216445 /nfs/dbraw/zinc/21/64/45/433216445.db2.gz RDOBNCHAJDAKTR-KRWDZBQOSA-N 1 0 305.422 3.292 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCOCC1CCCC1 ZINC000453589181 433218567 /nfs/dbraw/zinc/21/85/67/433218567.db2.gz VLYDCSOUDMXPLC-WEVVVXLNSA-N 1 0 304.390 3.404 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453585803 433220176 /nfs/dbraw/zinc/22/01/76/433220176.db2.gz UHQHLPGNGMYMKJ-ZDUSSCGKSA-N 1 0 322.405 3.288 20 5 DGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000298727171 433228595 /nfs/dbraw/zinc/22/85/95/433228595.db2.gz QSGIQFWVXNDPTR-UHFFFAOYSA-N 1 0 312.373 3.066 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000447585814 433233798 /nfs/dbraw/zinc/23/37/98/433233798.db2.gz LRCRTUDUYYDPKR-CYBMUJFWSA-N 1 0 302.378 3.002 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1(CO)CCCC1 ZINC000453611481 433235733 /nfs/dbraw/zinc/23/57/33/433235733.db2.gz IRANHQRBMUBYBR-INIZCTEOSA-N 1 0 306.406 3.262 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000374631303 433243795 /nfs/dbraw/zinc/24/37/95/433243795.db2.gz PENSPTDZWRBIMA-CQSZACIVSA-N 1 0 324.808 3.497 20 5 DGBDRO CC(C)OCCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447602073 433245579 /nfs/dbraw/zinc/24/55/79/433245579.db2.gz SKSSHCXXPCSTQN-HUUCEWRRSA-N 1 0 324.425 3.070 20 5 DGBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC(C(C)(C)C)CC1 ZINC000350671916 433252269 /nfs/dbraw/zinc/25/22/69/433252269.db2.gz ZOQZCBJGIJXTFI-UHFFFAOYSA-N 1 0 308.426 3.328 20 5 DGBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(F)cc1 ZINC000350725479 433263225 /nfs/dbraw/zinc/26/32/25/433263225.db2.gz XQUZWYZUPFZAPA-LBPRGKRZSA-N 1 0 306.341 3.014 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)C(C)C ZINC000341811691 433292393 /nfs/dbraw/zinc/29/23/93/433292393.db2.gz VLKFPUQABUUWPH-CYBMUJFWSA-N 1 0 307.394 3.208 20 5 DGBDRO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[C@@H](C)C1 ZINC000361645399 433310082 /nfs/dbraw/zinc/31/00/82/433310082.db2.gz RRCSASNDEMGDIR-HIFRSBDPSA-N 1 0 322.405 3.240 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[C@@H](C)C1 ZINC000361642196 433310264 /nfs/dbraw/zinc/31/02/64/433310264.db2.gz IBJINMYBMBSUSJ-OCCSQVGLSA-N 1 0 310.369 3.371 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000351099650 433370903 /nfs/dbraw/zinc/37/09/03/433370903.db2.gz LPWOZVNBDQGRJS-HNNXBMFYSA-N 1 0 314.389 3.349 20 5 DGBDRO CCCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338960226 433326979 /nfs/dbraw/zinc/32/69/79/433326979.db2.gz KPCQZRNTWQISST-UHFFFAOYSA-N 1 0 320.311 3.208 20 5 DGBDRO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000361679798 433336957 /nfs/dbraw/zinc/33/69/57/433336957.db2.gz YTYVIADXGOAXEO-CYBMUJFWSA-N 1 0 310.419 3.461 20 5 DGBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301133093 433429409 /nfs/dbraw/zinc/42/94/09/433429409.db2.gz XWEWLDMLJMYVJE-UHFFFAOYSA-N 1 0 317.311 3.367 20 5 DGBDRO Cc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1F ZINC000425957114 433383273 /nfs/dbraw/zinc/38/32/73/433383273.db2.gz AFQYQTOLPZFYOR-UHFFFAOYSA-N 1 0 318.352 3.076 20 5 DGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c2cnccc12)C(C)C ZINC000301188708 433448357 /nfs/dbraw/zinc/44/83/57/433448357.db2.gz QQGAWVSLFPOBTK-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO COc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301214489 433454479 /nfs/dbraw/zinc/45/44/79/433454479.db2.gz ZCHCHBQBARBIAJ-ZDUSSCGKSA-N 1 0 307.394 3.280 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000301228724 433460628 /nfs/dbraw/zinc/46/06/28/433460628.db2.gz IDIRADMZGMYSFP-YRGRVCCFSA-N 1 0 306.410 3.077 20 5 DGBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000355106412 433464108 /nfs/dbraw/zinc/46/41/08/433464108.db2.gz MZYTXFBQBBZEEP-VHSXEESVSA-N 1 0 300.305 3.427 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000339252781 433469200 /nfs/dbraw/zinc/46/92/00/433469200.db2.gz HKFOYUNOGHXTFE-CYBMUJFWSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H](NC(=O)CC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000339264066 433477397 /nfs/dbraw/zinc/47/73/97/433477397.db2.gz JSYUMKPOGLLVGZ-UONOGXRCSA-N 1 0 319.405 3.037 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000414290559 433517993 /nfs/dbraw/zinc/51/79/93/433517993.db2.gz JIWWIMLRJURVET-JDFRZJQESA-N 1 0 324.421 3.440 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000282178734 433520970 /nfs/dbraw/zinc/52/09/70/433520970.db2.gz FMHKKEKCGGMVBJ-CQSZACIVSA-N 1 0 321.380 3.376 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000355191253 433523344 /nfs/dbraw/zinc/52/33/44/433523344.db2.gz ZJYKSASICIYHBI-CVEARBPZSA-N 1 0 304.390 3.374 20 5 DGBDRO COc1cc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301416304 433541482 /nfs/dbraw/zinc/54/14/82/433541482.db2.gz AXTMDIPHWJFRRO-OAHLLOKOSA-N 1 0 319.405 3.280 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000301281417 433486885 /nfs/dbraw/zinc/48/68/85/433486885.db2.gz OLVGPPTUOROFAN-LLVKDONJSA-N 1 0 312.801 3.320 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301303222 433498070 /nfs/dbraw/zinc/49/80/70/433498070.db2.gz YPUVNMCNTNTYML-GFCCVEGCSA-N 1 0 322.365 3.179 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426456223 433501101 /nfs/dbraw/zinc/50/11/01/433501101.db2.gz DBLNPKJHOYLXJO-BBRMVZONSA-N 1 0 317.389 3.106 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@H]1F ZINC000414280880 433509107 /nfs/dbraw/zinc/50/91/07/433509107.db2.gz FASAVCUWBAYARY-KCPJHIHWSA-N 1 0 323.368 3.182 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(/C=C\c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000339387995 433553735 /nfs/dbraw/zinc/55/37/35/433553735.db2.gz UBZQSNXDAFIHQA-TXNVCOODSA-N 1 0 320.324 3.333 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000301438865 433555875 /nfs/dbraw/zinc/55/58/75/433555875.db2.gz LMNFQALPUOBJDY-ZIAGYGMSSA-N 1 0 321.421 3.203 20 5 DGBDRO Cc1cnc(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301449864 433561989 /nfs/dbraw/zinc/56/19/89/433561989.db2.gz PQBBPSMNDDMYBU-HUUCEWRRSA-N 1 0 320.437 3.468 20 5 DGBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000339428691 433574968 /nfs/dbraw/zinc/57/49/68/433574968.db2.gz UJLFNFWXRVNHIH-INIZCTEOSA-N 1 0 323.824 3.166 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1[N+](=O)[O-] ZINC000282359203 433580945 /nfs/dbraw/zinc/58/09/45/433580945.db2.gz DEKKWKQJSYANMT-UHFFFAOYSA-N 1 0 315.329 3.178 20 5 DGBDRO CCOc1cc(N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301508331 433588507 /nfs/dbraw/zinc/58/85/07/433588507.db2.gz HQRBZMVPTUVNGV-AWEZNQCLSA-N 1 0 319.405 3.422 20 5 DGBDRO CCn1ccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000414480870 433648690 /nfs/dbraw/zinc/64/86/90/433648690.db2.gz KNIINVUKYNLMBH-LCYFTJDESA-N 1 0 300.362 3.004 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000282846946 433636633 /nfs/dbraw/zinc/63/66/33/433636633.db2.gz BAXMXXFJTREEIE-UHFFFAOYSA-N 1 0 317.389 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000293165370 433637415 /nfs/dbraw/zinc/63/74/15/433637415.db2.gz UWBSKBKVJOEQIE-LBPRGKRZSA-N 1 0 309.797 3.170 20 5 DGBDRO Cc1nc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301623753 433646248 /nfs/dbraw/zinc/64/62/48/433646248.db2.gz GKMPZMOFYLKLBC-LRDDRELGSA-N 1 0 306.410 3.221 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)O ZINC000293185488 433646898 /nfs/dbraw/zinc/64/68/98/433646898.db2.gz WVDMIDNKIPKQRX-INIZCTEOSA-N 1 0 318.373 3.494 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cc[nH]c(=O)c1 ZINC000339458336 433595162 /nfs/dbraw/zinc/59/51/62/433595162.db2.gz ONGLHEBBWIWVJU-SECBINFHSA-N 1 0 307.737 3.200 20 5 DGBDRO COc1ccc(OCC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000426794440 433601220 /nfs/dbraw/zinc/60/12/20/433601220.db2.gz RLSTWEYPFUGGPY-OKILXGFUSA-N 1 0 320.389 3.104 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000356742108 433673789 /nfs/dbraw/zinc/67/37/89/433673789.db2.gz SKLBAMOETJEAMD-AWEZNQCLSA-N 1 0 322.796 3.469 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1COc2ccccc21 ZINC000342420322 433681220 /nfs/dbraw/zinc/68/12/20/433681220.db2.gz KNBDAFNTGROQSS-PKYBCLHXSA-N 1 0 310.353 3.374 20 5 DGBDRO CC(C)[C@H]1[N@H+](Cc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414523382 433688254 /nfs/dbraw/zinc/68/82/54/433688254.db2.gz GODRGBIPUYUBCJ-MRXNPFEDSA-N 1 0 304.390 3.232 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(CCO)CCCCC2)c(F)c1 ZINC000351731885 433690385 /nfs/dbraw/zinc/69/03/85/433690385.db2.gz YHCBZYBXBLEZAG-UHFFFAOYSA-N 1 0 314.332 3.048 20 5 DGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283248464 433696826 /nfs/dbraw/zinc/69/68/26/433696826.db2.gz JRWMPNLJHRAKTM-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO CCOc1cc(N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000356780291 433693315 /nfs/dbraw/zinc/69/33/15/433693315.db2.gz ALVRDGYOPOWAIN-DZGCQCFKSA-N 1 0 321.421 3.303 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cn2c(n1)CCCC2 ZINC000372991508 293247928 /nfs/dbraw/zinc/24/79/28/293247928.db2.gz UJARSTOFJCFJCR-CYBMUJFWSA-N 1 0 314.389 3.321 20 5 DGBDRO Cc1c(CN(C)Cc2cn3c(n2)CCCC3)cccc1[N+](=O)[O-] ZINC000372997175 293248842 /nfs/dbraw/zinc/24/88/42/293248842.db2.gz MZUMBITTYIPZTK-UHFFFAOYSA-N 1 0 314.389 3.068 20 5 DGBDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000373783271 293316019 /nfs/dbraw/zinc/31/60/19/293316019.db2.gz PWRWXYHOWAWWOP-MRXNPFEDSA-N 1 0 322.405 3.385 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000374292622 293378725 /nfs/dbraw/zinc/37/87/25/293378725.db2.gz NSTICSWJQFVUNR-OAHLLOKOSA-N 1 0 317.389 3.188 20 5 DGBDRO CC(=O)c1cc(NC2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000283469236 433733139 /nfs/dbraw/zinc/73/31/39/433733139.db2.gz GBAHVKWGRLUDRH-UHFFFAOYSA-N 1 0 319.405 3.330 20 5 DGBDRO C[N@H+](Cc1ccccc1)CC(C)(C)Nc1ccc([N+](=O)[O-])cn1 ZINC000301815605 433735264 /nfs/dbraw/zinc/73/52/64/433735264.db2.gz IWNOJUZLWKYCEO-UHFFFAOYSA-N 1 0 314.389 3.312 20 5 DGBDRO CC1(C)C[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)O1 ZINC000351819339 433735286 /nfs/dbraw/zinc/73/52/86/433735286.db2.gz AFQNMABQLQFHFM-ZDUSSCGKSA-N 1 0 314.332 3.309 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414593706 433737496 /nfs/dbraw/zinc/73/74/96/433737496.db2.gz RDTWDAQUYRVYOH-ZIAGYGMSSA-N 1 0 302.330 3.232 20 5 DGBDRO Cc1cccc(C2([NH2+]Cc3c([N+](=O)[O-])ncn3C)CCCC2)c1 ZINC000356867914 433739038 /nfs/dbraw/zinc/73/90/38/433739038.db2.gz WYRWBFSHNGQQEY-UHFFFAOYSA-N 1 0 314.389 3.196 20 5 DGBDRO C/C(=C\c1nc(C2([NH3+])CCCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000414625435 433757088 /nfs/dbraw/zinc/75/70/88/433757088.db2.gz IERPKGQYGMERDB-ZHACJKMWSA-N 1 0 314.345 3.266 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000429189585 433768632 /nfs/dbraw/zinc/76/86/32/433768632.db2.gz CDQCFEVCQSWXBZ-SNVBAGLBSA-N 1 0 318.204 3.432 20 5 DGBDRO CCSCC[C@@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000362449681 433722368 /nfs/dbraw/zinc/72/23/68/433722368.db2.gz IBRDGHVQAMQEJP-CYBMUJFWSA-N 1 0 312.435 3.437 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000421853255 433772926 /nfs/dbraw/zinc/77/29/26/433772926.db2.gz ITZOHAZMOOTIHM-CYBMUJFWSA-N 1 0 322.405 3.339 20 5 DGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421881358 433789918 /nfs/dbraw/zinc/78/99/18/433789918.db2.gz ZPRQCEIKDMPOSO-UHFFFAOYSA-N 1 0 321.421 3.016 20 5 DGBDRO CC(C)(C[NH+]1CCCC1)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000449779076 433791820 /nfs/dbraw/zinc/79/18/20/433791820.db2.gz XGDPYRKDYCYISX-CLFYSBASSA-N 1 0 303.406 3.072 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449784967 433795386 /nfs/dbraw/zinc/79/53/86/433795386.db2.gz DCGQVBDZBGSCII-QKIRZYONSA-N 1 0 303.406 3.023 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](N(C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449784964 433799583 /nfs/dbraw/zinc/79/95/83/433799583.db2.gz DCGQVBDZBGSCII-BVBGJJFLSA-N 1 0 303.406 3.023 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)cc1[N+](=O)[O-] ZINC000449790588 433803143 /nfs/dbraw/zinc/80/31/43/433803143.db2.gz LMWQDLPIYCMKSL-CQSZACIVSA-N 1 0 306.406 3.313 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000293612746 433804442 /nfs/dbraw/zinc/80/44/42/433804442.db2.gz LXQYGGINRGWALT-LBPRGKRZSA-N 1 0 316.357 3.030 20 5 DGBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCC[N@@H+]1C ZINC000343480383 433810342 /nfs/dbraw/zinc/81/03/42/433810342.db2.gz QWHQUWVJKMKFSG-SMDDNHRTSA-N 1 0 300.362 3.038 20 5 DGBDRO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000302041420 433810590 /nfs/dbraw/zinc/81/05/90/433810590.db2.gz WMRAZFGXJQYCCJ-INIZCTEOSA-N 1 0 314.389 3.204 20 5 DGBDRO CSC[C@H]1CCCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283988524 433810514 /nfs/dbraw/zinc/81/05/14/433810514.db2.gz JLPWRMPTWSJISH-SECBINFHSA-N 1 0 302.346 3.200 20 5 DGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1c(Cl)cccc1[N+](=O)[O-] ZINC000432158367 433821610 /nfs/dbraw/zinc/82/16/10/433821610.db2.gz VXSFTHSRYMWNDT-NEPJUHHUSA-N 1 0 309.797 3.311 20 5 DGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000293691869 433827771 /nfs/dbraw/zinc/82/77/71/433827771.db2.gz LGTMHKKJQOFCBR-UONOGXRCSA-N 1 0 321.421 3.106 20 5 DGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000293694795 433834051 /nfs/dbraw/zinc/83/40/51/433834051.db2.gz LLONRCOEOCYKRQ-CZUORRHYSA-N 1 0 321.421 3.188 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293722193 433843416 /nfs/dbraw/zinc/84/34/16/433843416.db2.gz MNDRITSCLFCONK-NWDGAFQWSA-N 1 0 315.373 3.164 20 5 DGBDRO CO[C@@H]1CC[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000302737984 433846227 /nfs/dbraw/zinc/84/62/27/433846227.db2.gz BRGJEMPUEZMNLS-DGCLKSJQSA-N 1 0 301.346 3.431 20 5 DGBDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000293744442 433851899 /nfs/dbraw/zinc/85/18/99/433851899.db2.gz NSRNBRNATFVREK-GFCCVEGCSA-N 1 0 315.373 3.079 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357079892 433856991 /nfs/dbraw/zinc/85/69/91/433856991.db2.gz LRODSLBZVPJWBW-ZDUSSCGKSA-N 1 0 323.824 3.070 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344416328 433865634 /nfs/dbraw/zinc/86/56/34/433865634.db2.gz IMWUIBGAIJTNRH-LSDHHAIUSA-N 1 0 318.421 3.081 20 5 DGBDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414920486 433917418 /nfs/dbraw/zinc/91/74/18/433917418.db2.gz XTJYCVOGSAGEDN-CQSZACIVSA-N 1 0 303.387 3.406 20 5 DGBDRO C[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285396416 433932272 /nfs/dbraw/zinc/93/22/72/433932272.db2.gz WZTZGHZXJTWSEC-STQMWFEESA-N 1 0 321.421 3.016 20 5 DGBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000362849649 433884515 /nfs/dbraw/zinc/88/45/15/433884515.db2.gz DBGXIUOUDFPSLD-ZIAGYGMSSA-N 1 0 314.389 3.015 20 5 DGBDRO CC[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000293838092 433887891 /nfs/dbraw/zinc/88/78/91/433887891.db2.gz BTNHPUYKFVBZME-CQSZACIVSA-N 1 0 321.421 3.067 20 5 DGBDRO C[C@@H](CCNc1c2c(ccc1[N+](=O)[O-])NCC2)[NH+]1CCCCC1 ZINC000302879976 433894641 /nfs/dbraw/zinc/89/46/41/433894641.db2.gz IBTZPQZKBCGUPY-ZDUSSCGKSA-N 1 0 318.421 3.239 20 5 DGBDRO CC(C)n1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285448071 433951060 /nfs/dbraw/zinc/95/10/60/433951060.db2.gz YGFURXDSKNCCAX-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO CCc1ccc([C@H](O)C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000285517607 433981725 /nfs/dbraw/zinc/98/17/25/433981725.db2.gz OBGFHXPHAPHRBT-CQSZACIVSA-N 1 0 306.387 3.042 20 5 DGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285605520 434014942 /nfs/dbraw/zinc/01/49/42/434014942.db2.gz PTYLFZSNSLVNEI-JSGCOSHPSA-N 1 0 323.824 3.307 20 5 DGBDRO [NH3+][C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000346074715 434099760 /nfs/dbraw/zinc/09/97/60/434099760.db2.gz OXYKTOZLIPIKOI-ZDUSSCGKSA-N 1 0 317.414 3.246 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459542335 293981390 /nfs/dbraw/zinc/98/13/90/293981390.db2.gz NTIGNTZXEYKNJY-MRXNPFEDSA-N 1 0 306.406 3.262 20 5 DGBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285942765 434116217 /nfs/dbraw/zinc/11/62/17/434116217.db2.gz MFWWCMHKQFTXSB-GXTWGEPZSA-N 1 0 310.369 3.249 20 5 DGBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000500092950 294103622 /nfs/dbraw/zinc/10/36/22/294103622.db2.gz XCNBEWZJGNKGJB-UKRRQHHQSA-N 1 0 321.421 3.247 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)COC ZINC000504899121 294223628 /nfs/dbraw/zinc/22/36/28/294223628.db2.gz BBGARFIEILTELB-OLZOCXBDSA-N 1 0 312.435 3.338 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCOC1 ZINC000504918303 294223932 /nfs/dbraw/zinc/22/39/32/294223932.db2.gz GGVSIDOANKOJMG-BBRMVZONSA-N 1 0 324.446 3.482 20 5 DGBDRO CCC[C@@H](O)C[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000504912687 294224393 /nfs/dbraw/zinc/22/43/93/294224393.db2.gz ZLKGROIAQPHMEJ-QWHCGFSZSA-N 1 0 312.435 3.216 20 5 DGBDRO COCC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000507156096 294285594 /nfs/dbraw/zinc/28/55/94/294285594.db2.gz RABHTHNOXZFOCJ-UHFFFAOYSA-N 1 0 316.357 3.466 20 5 DGBDRO CC(=O)c1cc(NC[C@@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000286004389 434136490 /nfs/dbraw/zinc/13/64/90/434136490.db2.gz DOWNEXOSLUPFRK-CQSZACIVSA-N 1 0 307.394 3.186 20 5 DGBDRO C[C@@H]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000450377147 434140869 /nfs/dbraw/zinc/14/08/69/434140869.db2.gz KOCNMBPNOVBGHJ-NEPJUHHUSA-N 1 0 312.373 3.180 20 5 DGBDRO COC(=O)C(C)(C)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000512502188 294444294 /nfs/dbraw/zinc/44/42/94/294444294.db2.gz WGKICNCQHKPIRF-RAXLEYEMSA-N 1 0 320.389 3.177 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)C1CCCC1)CCC2 ZINC000353485634 434168749 /nfs/dbraw/zinc/16/87/49/434168749.db2.gz UPGUQJQZDSXAJS-IRXDYDNUSA-N 1 0 304.390 3.113 20 5 DGBDRO CCOc1cccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286294855 434220365 /nfs/dbraw/zinc/22/03/65/434220365.db2.gz JAOGZPRNNSOGRG-ZIAGYGMSSA-N 1 0 319.405 3.057 20 5 DGBDRO C[C@H]1[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000363871138 434172489 /nfs/dbraw/zinc/17/24/89/434172489.db2.gz ZLMZRHIOFQPGFB-CSPWOOARSA-N 1 0 316.401 3.499 20 5 DGBDRO C[C@H](CCCCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000295092482 434190724 /nfs/dbraw/zinc/19/07/24/434190724.db2.gz RTXDQOZATKPKFW-CYBMUJFWSA-N 1 0 318.373 3.496 20 5 DGBDRO CCn1cc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000286413375 434261153 /nfs/dbraw/zinc/26/11/53/434261153.db2.gz PGLFQTROPIWUCY-UHFFFAOYSA-N 1 0 311.345 3.280 20 5 DGBDRO CCC(CC)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)OC ZINC000515433630 294559771 /nfs/dbraw/zinc/55/97/71/294559771.db2.gz VWSLUTUDXZTPGO-CQSZACIVSA-N 1 0 320.389 3.151 20 5 DGBDRO Cc1c(C[NH2+]Cc2cn(C)nc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000323063985 434262475 /nfs/dbraw/zinc/26/24/75/434262475.db2.gz MTUKZEWZSMBWMP-UHFFFAOYSA-N 1 0 316.405 3.224 20 5 DGBDRO [NH3+]C1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000423185755 434272761 /nfs/dbraw/zinc/27/27/61/434272761.db2.gz WCTCWHFIDYCTLG-MRXNPFEDSA-N 1 0 303.406 3.223 20 5 DGBDRO CC[NH+](CC)CCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000319869304 434226848 /nfs/dbraw/zinc/22/68/48/434226848.db2.gz IVPDDZDJWURVBA-UHFFFAOYSA-N 1 0 320.315 3.152 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000320402864 434236015 /nfs/dbraw/zinc/23/60/15/434236015.db2.gz WAVRNMBJMMGFAV-ZDUSSCGKSA-N 1 0 314.389 3.285 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H](COC)C1 ZINC000364125939 434239380 /nfs/dbraw/zinc/23/93/80/434239380.db2.gz KJWHJIVXOPKFTL-AWEZNQCLSA-N 1 0 322.405 3.242 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000386079967 434302241 /nfs/dbraw/zinc/30/22/41/434302241.db2.gz DTVBJBSYDPSJJS-AWEZNQCLSA-N 1 0 312.797 3.279 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000340710873 434316883 /nfs/dbraw/zinc/31/68/83/434316883.db2.gz ZUJGNGCSLLCTET-MRXNPFEDSA-N 1 0 314.389 3.333 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000517285109 294667770 /nfs/dbraw/zinc/66/77/70/294667770.db2.gz VDDDYYZJTDFFSQ-SMDDNHRTSA-N 1 0 307.394 3.336 20 5 DGBDRO C[NH2+]C[C@@H](C)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423268287 434325016 /nfs/dbraw/zinc/32/50/16/434325016.db2.gz FVDBTGODBQJWOL-KDOFPFPSSA-N 1 0 313.401 3.129 20 5 DGBDRO C[C@H](Cc1ccccc1F)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000437784250 434334442 /nfs/dbraw/zinc/33/44/42/434334442.db2.gz BZWIYLCLUSXACP-CYBMUJFWSA-N 1 0 302.349 3.497 20 5 DGBDRO [NH3+]C1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000423339809 434371790 /nfs/dbraw/zinc/37/17/90/434371790.db2.gz WYVOXRFEVHGKMF-KRWDZBQOSA-N 1 0 311.385 3.155 20 5 DGBDRO CCCC[C@@H](C[NH3+])N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423300188 434349192 /nfs/dbraw/zinc/34/91/92/434349192.db2.gz RBJCTCZLXBUGLT-OCCSQVGLSA-N 1 0 309.410 3.162 20 5 DGBDRO C[C@H](CO)CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310861 434350177 /nfs/dbraw/zinc/35/01/77/434350177.db2.gz MVGBESQVDNUTGA-SUMWQHHRSA-N 1 0 306.406 3.361 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C3CC3)C1)CCCC2 ZINC000417300299 434352266 /nfs/dbraw/zinc/35/22/66/434352266.db2.gz AKNVZWOVAGWSJV-KBXCAEBGSA-N 1 0 315.417 3.189 20 5 DGBDRO CC[C@@H](CCO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308255 434352469 /nfs/dbraw/zinc/35/24/69/434352469.db2.gz HTLWUDXUYJXJIT-SUMWQHHRSA-N 1 0 306.406 3.361 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCC[C@@H](O)CC)cc1[N+](=O)[O-] ZINC000358150647 434353226 /nfs/dbraw/zinc/35/32/26/434353226.db2.gz DYWUEBPNXUHKFM-JSGCOSHPSA-N 1 0 310.394 3.195 20 5 DGBDRO Cc1cccc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n1 ZINC000359833088 434443104 /nfs/dbraw/zinc/44/31/04/434443104.db2.gz DWCJUQFTEOLGEV-UHFFFAOYSA-N 1 0 322.368 3.231 20 5 DGBDRO Cc1c([C@@H](C)NC[C@@H]2[NH2+]CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000423401280 434406742 /nfs/dbraw/zinc/40/67/42/434406742.db2.gz XNQAMMYPKZEAMU-CJNGLKHVSA-N 1 0 305.422 3.332 20 5 DGBDRO Cc1cnccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295566584 434417112 /nfs/dbraw/zinc/41/71/12/434417112.db2.gz ZNXSMEWRDGASLV-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO C[C@H](CC(C)(C)O)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000295845810 434441552 /nfs/dbraw/zinc/44/15/52/434441552.db2.gz ATMAGGXXTJJSQJ-ABAIWWIYSA-N 1 0 306.406 3.456 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000366651113 434474195 /nfs/dbraw/zinc/47/41/95/434474195.db2.gz HJKWSXPITGAAIA-WCQYABFASA-N 1 0 310.781 3.107 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000287898104 434476094 /nfs/dbraw/zinc/47/60/94/434476094.db2.gz ZMBHNWNTFLATDS-GAFUQQFSSA-N 1 0 318.295 3.355 20 5 DGBDRO CC1(C)C[C@H](NCCC[NH2+]C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423556763 434491474 /nfs/dbraw/zinc/49/14/74/434491474.db2.gz MQFAZCWUYXJWSC-INIZCTEOSA-N 1 0 303.406 3.049 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000353817035 434454046 /nfs/dbraw/zinc/45/40/46/434454046.db2.gz GBRUIBYOUVSINY-MJYKILKPSA-N 1 0 303.406 3.023 20 5 DGBDRO CC(=O)c1ccc(NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000296098163 434509596 /nfs/dbraw/zinc/50/95/96/434509596.db2.gz UKDAHSUUWKJKIV-UHFFFAOYSA-N 1 0 317.389 3.226 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000348882634 434540226 /nfs/dbraw/zinc/54/02/26/434540226.db2.gz ZBRPSQZOKPERTA-PYEVWLCESA-N 1 0 312.316 3.169 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cc(C)no2)cc1[N+](=O)[O-] ZINC000353948306 434542157 /nfs/dbraw/zinc/54/21/57/434542157.db2.gz SYSWIWSAORIKNN-LBPRGKRZSA-N 1 0 319.361 3.183 20 5 DGBDRO [NH3+]CCN(Cc1cccc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000348933360 434558068 /nfs/dbraw/zinc/55/80/68/434558068.db2.gz IVPGXZSVENGKDU-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO Cc1cc(F)ccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348935934 434559491 /nfs/dbraw/zinc/55/94/91/434559491.db2.gz QWHNNDFCZAWPIB-UHFFFAOYSA-N 1 0 303.337 3.008 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(C)(C)C1 ZINC000525859104 295038571 /nfs/dbraw/zinc/03/85/71/295038571.db2.gz YIRXZUBHGBNKIY-GFCCVEGCSA-N 1 0 319.405 3.338 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000527304552 295090379 /nfs/dbraw/zinc/09/03/79/295090379.db2.gz SOOQDDUKARXMEG-HAZIXKIPSA-N 1 0 315.417 3.168 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451613995 434574650 /nfs/dbraw/zinc/57/46/50/434574650.db2.gz ODNGYMVRDLGYSI-IGNZVWTISA-N 1 0 318.417 3.351 20 5 DGBDRO Cc1ccc(C[NH+]2CCC(OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000418089360 434584617 /nfs/dbraw/zinc/58/46/17/434584617.db2.gz CAZSLPJLTRVUCK-UHFFFAOYSA-N 1 0 304.390 3.437 20 5 DGBDRO C[C@@]1(CCCO)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349153080 434620479 /nfs/dbraw/zinc/62/04/79/434620479.db2.gz REHVEUKTAMMFAK-LYLYKKCESA-N 1 0 304.390 3.235 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000459607477 434630631 /nfs/dbraw/zinc/63/06/31/434630631.db2.gz GVZJUKFUMCNJSR-SUMWQHHRSA-N 1 0 319.405 3.400 20 5 DGBDRO CC[C@H](CCO)[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000349201412 434636865 /nfs/dbraw/zinc/63/68/65/434636865.db2.gz KQJKSNPLCCTRNK-CHWSQXEVSA-N 1 0 312.435 3.216 20 5 DGBDRO COc1ccc(C[NH2+][C@H](CO)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000418131773 434597005 /nfs/dbraw/zinc/59/70/05/434597005.db2.gz WXCVRUIYTGLNDU-HNNXBMFYSA-N 1 0 322.405 3.024 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)CC ZINC000349249971 434650298 /nfs/dbraw/zinc/65/02/98/434650298.db2.gz WWCGIAAKPBDZKP-CYBMUJFWSA-N 1 0 311.451 3.007 20 5 DGBDRO COC1CCC([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000459668264 434653761 /nfs/dbraw/zinc/65/37/61/434653761.db2.gz BMDSTRWLWLDKKN-JEYLPNPQSA-N 1 0 306.406 3.463 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2CC(C)C)c([N+](=O)[O-])cc1OC ZINC000459670861 434655996 /nfs/dbraw/zinc/65/59/96/434655996.db2.gz VETKYLNDMNKGHD-DGCLKSJQSA-N 1 0 308.378 3.136 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1O ZINC000349341331 434679447 /nfs/dbraw/zinc/67/94/47/434679447.db2.gz AUXJEGYZGFBMDZ-LRDDRELGSA-N 1 0 316.357 3.058 20 5 DGBDRO [NH3+]C1(c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000424339399 434703327 /nfs/dbraw/zinc/70/33/27/434703327.db2.gz QKRBCWHXJNLTEJ-TWGQIWQCSA-N 1 0 314.345 3.266 20 5 DGBDRO C[C@@H](C[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459765935 434706315 /nfs/dbraw/zinc/70/63/15/434706315.db2.gz JONFSJOAFSEPIF-LBPRGKRZSA-N 1 0 308.378 3.004 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459775624 434712613 /nfs/dbraw/zinc/71/26/13/434712613.db2.gz VDZSTJNMPNVGFY-AVRGHOLYSA-N 1 0 317.389 3.090 20 5 DGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000419007802 434736575 /nfs/dbraw/zinc/73/65/75/434736575.db2.gz KKRRNMJKRSMWGV-UHFFFAOYSA-N 1 0 307.394 3.278 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000360951785 434741547 /nfs/dbraw/zinc/74/15/47/434741547.db2.gz SMWYHVFHRHFOIQ-CHWSQXEVSA-N 1 0 307.394 3.136 20 5 DGBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]2O1 ZINC000440955530 434757544 /nfs/dbraw/zinc/75/75/44/434757544.db2.gz GGXXSODMPBFUFI-HZPDHXFCSA-N 1 0 320.389 3.006 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000441481439 434763422 /nfs/dbraw/zinc/76/34/22/434763422.db2.gz NRBXMNSQDKYBPC-UONOGXRCSA-N 1 0 300.362 3.189 20 5 DGBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000361029057 434772843 /nfs/dbraw/zinc/77/28/43/434772843.db2.gz QKPPVRBDNAMNLO-RYUDHWBXSA-N 1 0 304.346 3.104 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419372734 434780707 /nfs/dbraw/zinc/78/07/07/434780707.db2.gz MWPZYELLZMMWPM-MELADBBJSA-N 1 0 319.405 3.208 20 5 DGBDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000372095370 434797235 /nfs/dbraw/zinc/79/72/35/434797235.db2.gz NXSJSVNLPAMYCD-JCURWCKSSA-N 1 0 304.390 3.451 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H]1OC ZINC000361154170 434815271 /nfs/dbraw/zinc/81/52/71/434815271.db2.gz LWCKTQPACNMSIE-UAGQMJEPSA-N 1 0 322.405 3.000 20 5 DGBDRO CC(C)c1ccc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000361168357 434820129 /nfs/dbraw/zinc/82/01/29/434820129.db2.gz SISGJSIQKRZVNE-KGLIPLIRSA-N 1 0 305.422 3.243 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411879255 434839702 /nfs/dbraw/zinc/83/97/02/434839702.db2.gz YUWNWRCEFKHKEM-UHFFFAOYSA-N 1 0 322.430 3.465 20 5 DGBDRO Cc1c(-c2noc(C[NH+]3[C@H](C)CC[C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000453264729 434845245 /nfs/dbraw/zinc/84/52/45/434845245.db2.gz VTBXTICBTGGSPI-GHMZBOCLSA-N 1 0 316.361 3.326 20 5 DGBDRO CCOc1cc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)ccc1[N+](=O)[O-] ZINC000411967447 434849891 /nfs/dbraw/zinc/84/98/91/434849891.db2.gz IADULKNJSCIWAU-SJKOYZFVSA-N 1 0 322.405 3.287 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ncc(C)cc1[N+](=O)[O-])CC(C)C ZINC000463055472 434940251 /nfs/dbraw/zinc/94/02/51/434940251.db2.gz JUHOPIBFKAFHFE-AWEZNQCLSA-N 1 0 308.426 3.467 20 5 DGBDRO CCCN(C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH+](C)C ZINC000554883316 434950853 /nfs/dbraw/zinc/95/08/53/434950853.db2.gz BPIQNICYMKKIRB-JXMROGBWSA-N 1 0 305.422 3.272 20 5 DGBDRO [NH3+]CCN(Cc1ccc(C(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000554877670 434951379 /nfs/dbraw/zinc/95/13/79/434951379.db2.gz PMSJBBDLVQDVMJ-UHFFFAOYSA-N 1 0 321.327 3.498 20 5 DGBDRO C[C@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC[C@H]1O ZINC000574172169 434956345 /nfs/dbraw/zinc/95/63/45/434956345.db2.gz RKFCAYMUMSIPEY-USXIJHARSA-N 1 0 304.390 3.113 20 5 DGBDRO COC(C)(C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555379780 434971520 /nfs/dbraw/zinc/97/15/20/434971520.db2.gz LPPCJSZPRZAADQ-UHFFFAOYSA-N 1 0 320.311 3.470 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000462775945 434928445 /nfs/dbraw/zinc/92/84/45/434928445.db2.gz MHYZZSABFJHRCM-ZIAGYGMSSA-N 1 0 321.421 3.383 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000462833675 434933010 /nfs/dbraw/zinc/93/30/10/434933010.db2.gz MYILXVMSOKDXNG-CYBMUJFWSA-N 1 0 307.394 3.280 20 5 DGBDRO COc1ccc(OCC[N@H+](C2CC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000524755798 434989190 /nfs/dbraw/zinc/98/91/90/434989190.db2.gz CHOKMWFQZVBUHB-UHFFFAOYSA-N 1 0 320.389 3.389 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000524893397 434995581 /nfs/dbraw/zinc/99/55/81/434995581.db2.gz QOZIWFMBITZPTO-HOTGVXAUSA-N 1 0 322.405 3.109 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000466489261 435078710 /nfs/dbraw/zinc/07/87/10/435078710.db2.gz AJHGAGAMHMURIX-KBPBESRZSA-N 1 0 319.405 3.434 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000556966759 435041468 /nfs/dbraw/zinc/04/14/68/435041468.db2.gz CLBPQXBGAQRVMA-YVGNARHYSA-N 1 0 304.390 3.093 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000530724429 435048711 /nfs/dbraw/zinc/04/87/11/435048711.db2.gz IEMASRNYCRPTEC-OAHLLOKOSA-N 1 0 313.357 3.206 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000467443909 435121324 /nfs/dbraw/zinc/12/13/24/435121324.db2.gz DYOMOVBZZIVXCJ-ZFWWWQNUSA-N 1 0 306.406 3.434 20 5 DGBDRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000467438039 435121399 /nfs/dbraw/zinc/12/13/99/435121399.db2.gz YMRMDSFCEIVBCU-KBUPBQIOSA-N 1 0 306.410 3.301 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[NH+]1CCCCC1 ZINC000531945192 435129517 /nfs/dbraw/zinc/12/95/17/435129517.db2.gz HHCFOMYSLBDBMG-HNNXBMFYSA-N 1 0 305.422 3.430 20 5 DGBDRO CCOc1cc(N2CC[NH+](CC=C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000579283615 435143639 /nfs/dbraw/zinc/14/36/39/435143639.db2.gz NRVUNKOUGBXRGL-UHFFFAOYSA-N 1 0 319.405 3.082 20 5 DGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000580140798 435207616 /nfs/dbraw/zinc/20/76/16/435207616.db2.gz GGFDVEQDIWDMLO-WBMJQRKESA-N 1 0 300.362 3.093 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000532927557 435201358 /nfs/dbraw/zinc/20/13/58/435201358.db2.gz CDZNABFOAHIVDI-GFCCVEGCSA-N 1 0 307.394 3.208 20 5 DGBDRO COc1ccc(OCC[N@H+](CC2CC2)C(C)C)c([N+](=O)[O-])c1 ZINC000533037132 435206134 /nfs/dbraw/zinc/20/61/34/435206134.db2.gz UMIOHFCMKPDMRA-UHFFFAOYSA-N 1 0 308.378 3.103 20 5 DGBDRO CCC[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240062 435151324 /nfs/dbraw/zinc/15/13/24/435151324.db2.gz GNVDNJUIJYJBFP-PBHICJAKSA-N 1 0 305.422 3.367 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000532450452 435165495 /nfs/dbraw/zinc/16/54/95/435165495.db2.gz UZHKLDFITUVHBW-ZDUSSCGKSA-N 1 0 314.389 3.215 20 5 DGBDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532459610 435167945 /nfs/dbraw/zinc/16/79/45/435167945.db2.gz MPSWCSQTZMDMDI-ZDUSSCGKSA-N 1 0 302.378 3.218 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1O ZINC000532488411 435169791 /nfs/dbraw/zinc/16/97/91/435169791.db2.gz JSYKILGPCVVHBC-LBPRGKRZSA-N 1 0 316.357 3.468 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC1CC1)C(C)C ZINC000533489934 435239472 /nfs/dbraw/zinc/23/94/72/435239472.db2.gz YJIZHNBMVRHXLE-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2CC2CCCCC2)n1 ZINC000478436423 435299845 /nfs/dbraw/zinc/29/98/45/435299845.db2.gz NSCQTNFJZXZUJD-HNNXBMFYSA-N 1 0 306.410 3.226 20 5 DGBDRO CO[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000511124985 435314906 /nfs/dbraw/zinc/31/49/06/435314906.db2.gz NDNUYTXAGRXNGJ-GOSISDBHSA-N 1 0 314.385 3.457 20 5 DGBDRO O=[N+]([O-])c1ccc(CSCC2CC[NH2+]CC2)c(Cl)c1 ZINC000567810077 435358389 /nfs/dbraw/zinc/35/83/89/435358389.db2.gz LDBFDEKZFAYGLJ-UHFFFAOYSA-N 1 0 300.811 3.481 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000479939604 435359184 /nfs/dbraw/zinc/35/91/84/435359184.db2.gz MBHNVRCYUZMBKR-ZDUSSCGKSA-N 1 0 319.405 3.474 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)o1 ZINC000513488417 435390963 /nfs/dbraw/zinc/39/09/63/435390963.db2.gz UOKHKFAPCQWRAV-JOCQHMNTSA-N 1 0 316.357 3.248 20 5 DGBDRO Cc1nc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000515312789 435474408 /nfs/dbraw/zinc/47/44/08/435474408.db2.gz PTQYDVXYYAEZMW-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000514827400 435441748 /nfs/dbraw/zinc/44/17/48/435441748.db2.gz WZTBYQZBPWFSNE-CPUCHLNUSA-N 1 0 317.433 3.292 20 5 DGBDRO COCC1([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000538550415 435504878 /nfs/dbraw/zinc/50/48/78/435504878.db2.gz YXRHCWNAENIOBJ-ZFWWWQNUSA-N 1 0 304.390 3.075 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000483111180 435496501 /nfs/dbraw/zinc/49/65/01/435496501.db2.gz ZRAGQAKGMSKNDT-AWEZNQCLSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(N(C)C)n1 ZINC000540138720 435588613 /nfs/dbraw/zinc/58/86/13/435588613.db2.gz FRZRZMNTIWWQFP-CYBMUJFWSA-N 1 0 314.389 3.215 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNc1ccccn1 ZINC000449224281 298918359 /nfs/dbraw/zinc/91/83/59/298918359.db2.gz LEJLLAVKSQIUSF-CQSZACIVSA-N 1 0 314.389 3.013 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1(C)C ZINC000484292986 435541847 /nfs/dbraw/zinc/54/18/47/435541847.db2.gz PUNOALRHGRQONB-HYVNUMGLSA-N 1 0 318.417 3.319 20 5 DGBDRO CC(C)C[C@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541069436 435636475 /nfs/dbraw/zinc/63/64/75/435636475.db2.gz CXGHLMYZJWGZAY-AWEZNQCLSA-N 1 0 312.797 3.495 20 5 DGBDRO CCOc1cc(N2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000517768503 435612617 /nfs/dbraw/zinc/61/26/17/435612617.db2.gz NSRFXWLRMRPPGU-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803748 435615980 /nfs/dbraw/zinc/61/59/80/435615980.db2.gz SVSPMJSNJRJUBJ-DZGCQCFKSA-N 1 0 319.405 3.434 20 5 DGBDRO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000487965744 435631810 /nfs/dbraw/zinc/63/18/10/435631810.db2.gz URODLFBCPWPYAB-WFASDCNBSA-N 1 0 310.369 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](c4ccncc4)C3)nc2c1 ZINC000570695024 435641932 /nfs/dbraw/zinc/64/19/32/435641932.db2.gz PPCWWNHKUATBAM-ZDUSSCGKSA-N 1 0 324.340 3.121 20 5 DGBDRO CO[C@H]1CCC[C@H]1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000541191013 435642133 /nfs/dbraw/zinc/64/21/33/435642133.db2.gz ZSINFXBNRZFJQO-SJCJKPOMSA-N 1 0 315.373 3.100 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000571787989 435738040 /nfs/dbraw/zinc/73/80/40/435738040.db2.gz WVWKKXIMYHXKMZ-LLVKDONJSA-N 1 0 309.797 3.453 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000548753085 435715045 /nfs/dbraw/zinc/71/50/45/435715045.db2.gz FCWIGASMMDVJLX-GDZNZVCISA-N 1 0 304.390 3.464 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000491217395 435716728 /nfs/dbraw/zinc/71/67/28/435716728.db2.gz PFLAHRLMWOMIFA-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](CO)C1CCCCC1 ZINC000550275090 435800959 /nfs/dbraw/zinc/80/09/59/435800959.db2.gz QTFWSJCHRAQJGV-DKISHCGFSA-N 1 0 318.417 3.386 20 5 DGBDRO CC[N@H+](CCNc1ccc(F)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491546397 435768337 /nfs/dbraw/zinc/76/83/37/435768337.db2.gz MXZXJBYVBNIKCV-UHFFFAOYSA-N 1 0 323.290 3.420 20 5 DGBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000572420156 435823256 /nfs/dbraw/zinc/82/32/56/435823256.db2.gz NOILVXFTIOVVMZ-GXTWGEPZSA-N 1 0 315.373 3.166 20 5 DGBDRO COc1cc(C)ccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000572948296 435884673 /nfs/dbraw/zinc/88/46/73/435884673.db2.gz GMDKBXCTKBYXFV-UHFFFAOYSA-N 1 0 316.357 3.080 20 5 DGBDRO [NH3+]C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000420371899 303393124 /nfs/dbraw/zinc/39/31/24/303393124.db2.gz PVTXDCIGFNPGIA-CQSZACIVSA-N 1 0 311.813 3.245 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000166605262 312694543 /nfs/dbraw/zinc/69/45/43/312694543.db2.gz CGDJKWPOBIVTKH-OCBCSQNSSA-N 1 0 312.369 3.212 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000177909200 312784644 /nfs/dbraw/zinc/78/46/44/312784644.db2.gz DPPVYIHQOKKVEP-CYBMUJFWSA-N 1 0 313.357 3.193 20 5 DGBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532216742 313528576 /nfs/dbraw/zinc/52/85/76/313528576.db2.gz CANIMBBILJUCHI-RYUDHWBXSA-N 1 0 302.378 3.357 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000543249557 314124156 /nfs/dbraw/zinc/12/41/56/314124156.db2.gz JPENDIZIJOGJCP-QWHCGFSZSA-N 1 0 319.405 3.290 20 5 DGBDRO CCC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000544575285 314200249 /nfs/dbraw/zinc/20/02/49/314200249.db2.gz CKRZAAQLQIYPRQ-QGZVFWFLSA-N 1 0 315.373 3.500 20 5 DGBDRO COc1ccsc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000546017443 314285346 /nfs/dbraw/zinc/28/53/46/314285346.db2.gz QHUPHWVPMBYOFK-NSHDSACASA-N 1 0 322.386 3.395 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCCCCC3)CC2)cn1 ZINC000547294023 314353745 /nfs/dbraw/zinc/35/37/45/314353745.db2.gz FCWNDPDFEHZOAT-UHFFFAOYSA-N 1 0 318.421 3.082 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000552356380 314612775 /nfs/dbraw/zinc/61/27/75/314612775.db2.gz QHUUGJLMNDXUQB-KDOFPFPSSA-N 1 0 320.433 3.447 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000555637691 314731700 /nfs/dbraw/zinc/73/17/00/314731700.db2.gz GCVIRLQOCHPLOF-DGCDQZBQSA-N 1 0 304.390 3.139 20 5 DGBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CS1 ZINC000562330108 315010345 /nfs/dbraw/zinc/01/03/45/315010345.db2.gz PZNBWSDXCJTJNY-IUODEOHRSA-N 1 0 324.446 3.483 20 5 DGBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CS1 ZINC000562330107 315010444 /nfs/dbraw/zinc/01/04/44/315010444.db2.gz PZNBWSDXCJTJNY-DOMZBBRYSA-N 1 0 324.446 3.483 20 5 DGBDRO CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562998170 315068828 /nfs/dbraw/zinc/06/88/28/315068828.db2.gz BCRTVFPICHNQFJ-GJZGRUSLSA-N 1 0 322.405 3.059 20 5 DGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000563750927 315135357 /nfs/dbraw/zinc/13/53/57/315135357.db2.gz PAMIVZFSKTYZGN-ZDUSSCGKSA-N 1 0 319.405 3.482 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCOC[C@@H]1C1CCC1 ZINC000563808206 315138935 /nfs/dbraw/zinc/13/89/35/315138935.db2.gz DNMBIBZTIKEVPC-OAHLLOKOSA-N 1 0 310.781 3.249 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000564387243 315173142 /nfs/dbraw/zinc/17/31/42/315173142.db2.gz WUMPODSQQOSIJK-LBPRGKRZSA-N 1 0 310.357 3.332 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H](CO)C2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000564428580 315175629 /nfs/dbraw/zinc/17/56/29/315175629.db2.gz WXIVICPEWMNLBC-IRXDYDNUSA-N 1 0 318.417 3.458 20 5 DGBDRO CC1(C)[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000565434724 315261548 /nfs/dbraw/zinc/26/15/48/315261548.db2.gz VRJJYLCFNWGWEF-MUIFIZLQSA-N 1 0 316.401 3.375 20 5 DGBDRO O=C(CC[NH2+][C@@H](C1CC1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000565713060 315281985 /nfs/dbraw/zinc/28/19/85/315281985.db2.gz ZCPRMUMNASDFEF-QGZVFWFLSA-N 1 0 317.389 3.092 20 5 DGBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1(C2CC2)CC1 ZINC000566139619 315316261 /nfs/dbraw/zinc/31/62/61/315316261.db2.gz ALHAOVFCGQZWFK-UHFFFAOYSA-N 1 0 311.179 3.390 20 5 DGBDRO C[C@H](COCC(F)(F)F)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475104 315350528 /nfs/dbraw/zinc/35/05/28/315350528.db2.gz JZAQGDZLRWERND-SKDRFNHKSA-N 1 0 318.295 3.139 20 5 DGBDRO CCc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000567997118 315470083 /nfs/dbraw/zinc/47/00/83/315470083.db2.gz MYHMNCHXXQUXHA-UHFFFAOYSA-N 1 0 320.418 3.252 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1ccno1 ZINC000570929034 315685227 /nfs/dbraw/zinc/68/52/27/315685227.db2.gz ZXCDMGHVLLBVTO-DOMZBBRYSA-N 1 0 301.346 3.084 20 5 DGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000572969563 315831098 /nfs/dbraw/zinc/83/10/98/315831098.db2.gz ZVYVEPUUPWMNBK-CHWSQXEVSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000573677950 315889732 /nfs/dbraw/zinc/88/97/32/315889732.db2.gz AGQOKCCQHBBQCU-KBPBESRZSA-N 1 0 319.405 3.482 20 5 DGBDRO CCOc1cc(OC[C@H]2CC[C@H](C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000575745773 316058023 /nfs/dbraw/zinc/05/80/23/316058023.db2.gz RNQFLQIHFHMGSI-JOCQHMNTSA-N 1 0 308.378 3.137 20 5 DGBDRO C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000575916962 316074853 /nfs/dbraw/zinc/07/48/53/316074853.db2.gz CNXSYTDONYVCCD-WDNDVIMCSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@@H]1CC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000575916961 316075260 /nfs/dbraw/zinc/07/52/60/316075260.db2.gz CNXSYTDONYVCCD-STQMWFEESA-N 1 0 319.405 3.338 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)CC1CCCC1 ZINC000576886062 316178912 /nfs/dbraw/zinc/17/89/12/316178912.db2.gz HFEBOMMQDNUQHA-XJKSGUPXSA-N 1 0 304.390 3.113 20 5 DGBDRO CC1(C)CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000578064041 316299391 /nfs/dbraw/zinc/29/93/91/316299391.db2.gz OOIHGVVCQPZCSP-GFCCVEGCSA-N 1 0 305.378 3.092 20 5 DGBDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183079160 323323870 /nfs/dbraw/zinc/32/38/70/323323870.db2.gz SJRCVUKBUYXXGW-NXEZZACHSA-N 1 0 313.785 3.211 20 5 DGBDRO CCc1ccc([C@@H](COC)[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000184804321 323373916 /nfs/dbraw/zinc/37/39/16/323373916.db2.gz SDHFAJFWXJKQDS-MRXNPFEDSA-N 1 0 318.373 3.270 20 5 DGBDRO CCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185858604 323396649 /nfs/dbraw/zinc/39/66/49/323396649.db2.gz LQEBGMUMULEJTN-ZDUSSCGKSA-N 1 0 305.378 3.188 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)Cn1cccn1 ZINC000580808272 324040471 /nfs/dbraw/zinc/04/04/71/324040471.db2.gz FDOHSUPTMFWFFZ-HNRFISLBSA-N 1 0 314.389 3.121 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](CO)CC1CCCC1 ZINC000582013201 324179631 /nfs/dbraw/zinc/17/96/31/324179631.db2.gz DLBMCZOCUXSJHF-RHSMWYFYSA-N 1 0 318.417 3.361 20 5 DGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@H]1O ZINC000582065802 324185508 /nfs/dbraw/zinc/18/55/08/324185508.db2.gz FTMBAHFLFQXEED-NVXWUHKLSA-N 1 0 306.406 3.356 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](O)CC1)CCCC2 ZINC000582774744 324273112 /nfs/dbraw/zinc/27/31/12/324273112.db2.gz QZMIIFBMRYJCRM-FRFSOERESA-N 1 0 304.390 3.255 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000583413639 324350052 /nfs/dbraw/zinc/35/00/52/324350052.db2.gz MPZNMUFCFRMMLS-LBPRGKRZSA-N 1 0 307.394 3.328 20 5 DGBDRO CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000583771387 324396060 /nfs/dbraw/zinc/39/60/60/324396060.db2.gz XNTSZOMRVYAOJE-HYVNUMGLSA-N 1 0 320.433 3.160 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000421412954 500571598 /nfs/dbraw/zinc/57/15/98/500571598.db2.gz UVWANEJGXJGZOG-QXSWTLKVSA-N 1 0 303.406 3.024 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000245510332 500711466 /nfs/dbraw/zinc/71/14/66/500711466.db2.gz WDLDLEMUFTXEIY-UMVBOHGHSA-N 1 0 322.405 3.195 20 5 DGBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000319343722 533734225 /nfs/dbraw/zinc/73/42/25/533734225.db2.gz PDNBIAUJMDYYFW-OCCSQVGLSA-N 1 0 310.369 3.249 20 5 DGBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000433036852 533795193 /nfs/dbraw/zinc/79/51/93/533795193.db2.gz ZNLGTRPFZNNXQL-YPMHNXCESA-N 1 0 308.378 3.232 20 5 DGBDRO Cc1c(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000318457806 533843697 /nfs/dbraw/zinc/84/36/97/533843697.db2.gz QLYFYYSZPUIVMA-XJKSGUPXSA-N 1 0 306.406 3.419 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])cc1 ZINC000178656349 533873712 /nfs/dbraw/zinc/87/37/12/533873712.db2.gz SWQNJBFRBDXQME-ZDUSSCGKSA-N 1 0 312.369 3.423 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1[N+](=O)[O-] ZINC000428389843 533924702 /nfs/dbraw/zinc/92/47/02/533924702.db2.gz AEZLJSZMRODXPC-MRXNPFEDSA-N 1 0 304.390 3.294 20 5 DGBDRO C[C@H](CCO)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000297353779 533964626 /nfs/dbraw/zinc/96/46/26/533964626.db2.gz PGDMQCKMHGMIGX-BLLLJJGKSA-N 1 0 306.406 3.315 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000299595034 534094587 /nfs/dbraw/zinc/09/45/87/534094587.db2.gz LBKAMGRQOHJVKE-ZDUSSCGKSA-N 1 0 314.389 3.269 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000298121444 534343627 /nfs/dbraw/zinc/34/36/27/534343627.db2.gz BSSYLAVWLYUNAB-XQQFMLRXSA-N 1 0 305.378 3.103 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429289455 534885951 /nfs/dbraw/zinc/88/59/51/534885951.db2.gz CJTXAKDHXOOYKB-NSHDSACASA-N 1 0 318.760 3.211 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432311124 527852011 /nfs/dbraw/zinc/85/20/11/527852011.db2.gz DVTIYXHXCNOQNL-GFCCVEGCSA-N 1 0 311.813 3.416 20 5 DGBDRO CC(C)c1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000422703293 528068204 /nfs/dbraw/zinc/06/82/04/528068204.db2.gz HMRANVRWDFOTLN-UHFFFAOYSA-N 1 0 319.405 3.110 20 5 DGBDRO CC[NH+](CC)CCCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000314306753 528113636 /nfs/dbraw/zinc/11/36/36/528113636.db2.gz NNINISCISABPOQ-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC000430228609 528131251 /nfs/dbraw/zinc/13/12/51/528131251.db2.gz SNAYPAQKXWJHRP-HOTGVXAUSA-N 1 0 322.405 3.239 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432322801 528259894 /nfs/dbraw/zinc/25/98/94/528259894.db2.gz NEBBMEWRSFRXJH-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO CCOc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)ccc1O ZINC000297615776 528277354 /nfs/dbraw/zinc/27/73/54/528277354.db2.gz KXCQLAOOUWTRGS-UHFFFAOYSA-N 1 0 316.357 3.031 20 5 DGBDRO CCC(=O)CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295026238 528286199 /nfs/dbraw/zinc/28/61/99/528286199.db2.gz MOONNTNGQHMGEX-UHFFFAOYSA-N 1 0 320.389 3.197 20 5 DGBDRO CCCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000434576274 528376062 /nfs/dbraw/zinc/37/60/62/528376062.db2.gz QYJPBVZBDFBJSE-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO CCOC1(C)CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000430087519 528448465 /nfs/dbraw/zinc/44/84/65/528448465.db2.gz HOPXRMZMSKESMW-VURMDHGXSA-N 1 0 304.390 3.499 20 5 DGBDRO CC(C)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444748201 528670351 /nfs/dbraw/zinc/67/03/51/528670351.db2.gz HKFAUZBUZNHMLU-ZIAGYGMSSA-N 1 0 319.405 3.290 20 5 DGBDRO CCOc1cccc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000302139471 528675477 /nfs/dbraw/zinc/67/54/77/528675477.db2.gz GBSQVHCNKNQTQA-OLZOCXBDSA-N 1 0 307.394 3.278 20 5 DGBDRO CC[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H](C)CO ZINC000292371517 528766853 /nfs/dbraw/zinc/76/68/53/528766853.db2.gz YQFCKGOVTWIPSY-MRVPVSSYSA-N 1 0 307.177 3.104 20 5 DGBDRO CC1(C)CCC[N@H+](CCNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000443969470 528938456 /nfs/dbraw/zinc/93/84/56/528938456.db2.gz YEIDORAFIDPWDQ-UHFFFAOYSA-N 1 0 312.801 3.177 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178095756 529019576 /nfs/dbraw/zinc/01/95/76/529019576.db2.gz QAEJCUIWVZOKKK-IUODEOHRSA-N 1 0 321.421 3.329 20 5 DGBDRO CC[N@@H+]1CCC[C@@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413026459 529082272 /nfs/dbraw/zinc/08/22/72/529082272.db2.gz VIGWXEXOBQSIBW-CQSZACIVSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cccn(CC)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000433097294 529187502 /nfs/dbraw/zinc/18/75/02/529187502.db2.gz LUKBJTOSIBIDMF-MRXNPFEDSA-N 1 0 315.373 3.017 20 5 DGBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444658813 529209934 /nfs/dbraw/zinc/20/99/34/529209934.db2.gz BUQDTUIHZSOTCK-DZGCQCFKSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@@H](O)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433284181 529220306 /nfs/dbraw/zinc/22/03/06/529220306.db2.gz JLFZHTJDDHXMNP-CZUORRHYSA-N 1 0 306.406 3.458 20 5 DGBDRO CCC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000449172572 535298429 /nfs/dbraw/zinc/29/84/29/535298429.db2.gz KARGMCTVYDOUNW-CQSZACIVSA-N 1 0 306.406 3.322 20 5 DGBDRO CCc1cnc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449167931 536053223 /nfs/dbraw/zinc/05/32/23/536053223.db2.gz CEZHUVAQFGZMNM-NSHDSACASA-N 1 0 305.403 3.335 20 5 DGBDRO CO[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449497921 536678953 /nfs/dbraw/zinc/67/89/53/536678953.db2.gz KSJKYYZSRNAVJJ-DGCDQZBQSA-N 1 0 304.390 3.355 20 5 DGBDRO COCC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000449229534 536810156 /nfs/dbraw/zinc/81/01/56/536810156.db2.gz BUQNPRDHSXFVKR-UKRRQHHQSA-N 1 0 318.373 3.486 20 5 DGBDRO COCC1=CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470212276 536832260 /nfs/dbraw/zinc/83/22/60/536832260.db2.gz SHXNOBRPJAEXLC-GXDHUFHOSA-N 1 0 302.374 3.277 20 5 DGBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc2ccccc2c2cccnc12 ZINC000237983912 546290485 /nfs/dbraw/zinc/29/04/85/546290485.db2.gz IHFFYYWWCTYOCO-OAHLLOKOSA-N 1 0 319.408 3.260 20 5 DGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731208332 574544998 /nfs/dbraw/zinc/54/49/98/574544998.db2.gz AZRNHBVSIJHWBN-NSHDSACASA-N 1 0 320.418 3.491 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000732205753 574568323 /nfs/dbraw/zinc/56/83/23/574568323.db2.gz LMEVSWIUMWLUQT-SNVBAGLBSA-N 1 0 313.785 3.165 20 5 DGBDRO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC1 ZINC000738312954 574865665 /nfs/dbraw/zinc/86/56/65/574865665.db2.gz SBNJYNWEYSSGHB-UHFFFAOYSA-N 1 0 311.769 3.061 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000744170928 575075970 /nfs/dbraw/zinc/07/59/70/575075970.db2.gz UWGORNUZBCSJMW-UHFFFAOYSA-N 1 0 318.421 3.446 20 5 DGBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000746049783 575428921 /nfs/dbraw/zinc/42/89/21/575428921.db2.gz YPZPJYSRSHTYNR-BZNIZROVSA-N 1 0 312.373 3.421 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(NCC[NH+](C(C)C)C(C)C)c1 ZINC000747202399 575505532 /nfs/dbraw/zinc/50/55/32/575505532.db2.gz ARTUNEREZNPOBR-UHFFFAOYSA-N 1 0 313.373 3.273 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+](CC3CC3)CC2)c1 ZINC000747211289 575505969 /nfs/dbraw/zinc/50/59/69/575505969.db2.gz DOKLDKFUCRBUCN-UHFFFAOYSA-N 1 0 323.368 3.029 20 5 DGBDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000749155945 575631474 /nfs/dbraw/zinc/63/14/74/575631474.db2.gz KRQNJNHFOICMRH-SJKOYZFVSA-N 1 0 324.396 3.401 20 5 DGBDRO C[NH+](C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000749156185 575631532 /nfs/dbraw/zinc/63/15/32/575631532.db2.gz YAOMOMFFJDPBSJ-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000749558954 575664906 /nfs/dbraw/zinc/66/49/06/575664906.db2.gz KDZXNMOILVDIBI-QWHCGFSZSA-N 1 0 324.808 3.497 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCc3sccc3C2)c1 ZINC000750065669 575701828 /nfs/dbraw/zinc/70/18/28/575701828.db2.gz CUNPTRGJUCOHTK-HNNXBMFYSA-N 1 0 318.398 3.138 20 5 DGBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000752074869 575821146 /nfs/dbraw/zinc/82/11/46/575821146.db2.gz JAAQRYQMUOTFNT-GDBMZVCRSA-N 1 0 310.369 3.369 20 5 DGBDRO CC(C)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000728052385 576159998 /nfs/dbraw/zinc/15/99/98/576159998.db2.gz CTUNNMDOEMFMIF-SNVBAGLBSA-N 1 0 313.785 3.163 20 5 DGBDRO O=C(C[N@@H+]1CCC[C@H]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000728572205 576188609 /nfs/dbraw/zinc/18/86/09/576188609.db2.gz YPLUOPQHOGPSEY-ZDUSSCGKSA-N 1 0 323.780 3.061 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000852650988 620637882 /nfs/dbraw/zinc/63/78/82/620637882.db2.gz XCZBPAGSDXHVOP-QXKCDYLGSA-N 1 0 310.369 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000852759238 620646037 /nfs/dbraw/zinc/64/60/37/620646037.db2.gz LVOIKGNIRNCYTF-CALCHBBNSA-N 1 0 320.364 3.127 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000852761203 620646637 /nfs/dbraw/zinc/64/66/37/620646637.db2.gz IJEANZWPYNTFRP-PJOPYLDSSA-N 1 0 324.380 3.249 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000917064687 620654455 /nfs/dbraw/zinc/65/44/55/620654455.db2.gz GLEAXIZQYIZYNQ-NWDGAFQWSA-N 1 0 322.365 3.178 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000917064688 620654484 /nfs/dbraw/zinc/65/44/84/620654484.db2.gz GLEAXIZQYIZYNQ-RYUDHWBXSA-N 1 0 322.365 3.178 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000853045590 620663541 /nfs/dbraw/zinc/66/35/41/620663541.db2.gz WMKHDQMMJHRIBN-UHFFFAOYSA-N 1 0 324.450 3.002 20 5 DGBDRO CCCC[N@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](C)CC ZINC000917436296 620668603 /nfs/dbraw/zinc/66/86/03/620668603.db2.gz AJBSHHRLAGQRRK-GFCCVEGCSA-N 1 0 321.377 3.361 20 5 DGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853339727 620687937 /nfs/dbraw/zinc/68/79/37/620687937.db2.gz YYOHRDLHRVPMDU-LLVKDONJSA-N 1 0 313.348 3.310 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853670063 620722961 /nfs/dbraw/zinc/72/29/61/620722961.db2.gz FYRLSMKKJGVMHL-LLVKDONJSA-N 1 0 313.348 3.453 20 5 DGBDRO CC[N@@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)C1 ZINC000853686786 620724749 /nfs/dbraw/zinc/72/47/49/620724749.db2.gz MGKDPTHVRCJROY-NSHDSACASA-N 1 0 320.418 3.125 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000923760477 620734663 /nfs/dbraw/zinc/73/46/63/620734663.db2.gz SMDOJUSHFGOHIY-CYBMUJFWSA-N 1 0 302.334 3.190 20 5 DGBDRO Nc1ccc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000804683707 617650910 /nfs/dbraw/zinc/65/09/10/617650910.db2.gz VXSOMMCJLOCARV-HNNXBMFYSA-N 1 0 318.421 3.386 20 5 DGBDRO C[NH+]1CCC2(CCCN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000804684327 617651187 /nfs/dbraw/zinc/65/11/87/617651187.db2.gz ZLGDSZXTZBOZPD-UHFFFAOYSA-N 1 0 307.369 3.046 20 5 DGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804811879 617675062 /nfs/dbraw/zinc/67/50/62/617675062.db2.gz BGTBEERUBMIWIU-DGCLKSJQSA-N 1 0 309.797 3.311 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000854000539 620761282 /nfs/dbraw/zinc/76/12/82/620761282.db2.gz ZVUFTWSGIPLBML-CYBMUJFWSA-N 1 0 307.369 3.268 20 5 DGBDRO CC(C)(C)CC[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000919964793 620774861 /nfs/dbraw/zinc/77/48/61/620774861.db2.gz ZFEGNKDHWWEDFK-UHFFFAOYSA-N 1 0 309.385 3.292 20 5 DGBDRO CC1(O)CCC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000893091373 618421645 /nfs/dbraw/zinc/42/16/45/618421645.db2.gz AUMZJIJUWKSDJC-UHFFFAOYSA-N 1 0 306.406 3.201 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000893117208 618433035 /nfs/dbraw/zinc/43/30/35/618433035.db2.gz QOPPMNWNJLECJI-CYBMUJFWSA-N 1 0 310.781 3.440 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCO[C@H]1CCCCO1 ZINC000894799893 618460142 /nfs/dbraw/zinc/46/01/42/618460142.db2.gz PUHPHCPJIKRWEK-PBHICJAKSA-N 1 0 322.405 3.049 20 5 DGBDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893267122 618491638 /nfs/dbraw/zinc/49/16/38/618491638.db2.gz SDYRPZKVDWPPLX-IINYFYTJSA-N 1 0 324.764 3.443 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1C[C@@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000893278774 618494237 /nfs/dbraw/zinc/49/42/37/618494237.db2.gz JHZZEKNARBELHL-OPQQBVKSSA-N 1 0 313.195 3.419 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCNc1ccccn1 ZINC000893361948 618530535 /nfs/dbraw/zinc/53/05/35/618530535.db2.gz VLRLDLOBMMSMMG-UHFFFAOYSA-N 1 0 320.780 3.235 20 5 DGBDRO CCc1onc(C)c1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893400639 618545733 /nfs/dbraw/zinc/54/57/33/618545733.db2.gz GIPJNCUUSMDHIM-UHFFFAOYSA-N 1 0 323.780 3.439 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000893615842 618617419 /nfs/dbraw/zinc/61/74/19/618617419.db2.gz BLOKMNJHLWBPNO-UKRRQHHQSA-N 1 0 310.781 3.295 20 5 DGBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000112379536 620821051 /nfs/dbraw/zinc/82/10/51/620821051.db2.gz QUAJSDWRORMLGF-QMTHXVAHSA-N 1 0 300.786 3.135 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)C(C)C ZINC000840967879 618643225 /nfs/dbraw/zinc/64/32/25/618643225.db2.gz SFAXOBYSXBPWRL-KGLIPLIRSA-N 1 0 300.786 3.133 20 5 DGBDRO C[C@H]1CCC[N@@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000788847323 625280450 /nfs/dbraw/zinc/28/04/50/625280450.db2.gz DYEUUGHSBMNWSF-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@@H]1CCC[N@@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000788847322 625280887 /nfs/dbraw/zinc/28/08/87/625280887.db2.gz DYEUUGHSBMNWSF-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3C[C@H]4CCC[C@H]4C3)nc2c1 ZINC000894057007 618701603 /nfs/dbraw/zinc/70/16/03/618701603.db2.gz UENMFVZUVAUPGU-ZSBIGDGJSA-N 1 0 300.362 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3c2nccc3Cl)cc1 ZINC000924954191 618748251 /nfs/dbraw/zinc/74/82/51/618748251.db2.gz FXZBXBQEXKYUEN-OAHLLOKOSA-N 1 0 317.776 3.463 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2C=CCC2)cc1Br ZINC000895528344 618795146 /nfs/dbraw/zinc/79/51/46/618795146.db2.gz WSOXAFGGPFLYOJ-MRVPVSSYSA-N 1 0 317.208 3.475 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCCC3(CC3)CC2)c1[N+](=O)[O-] ZINC000895664957 618812686 /nfs/dbraw/zinc/81/26/86/618812686.db2.gz DUXYMJNRCNOVIL-UHFFFAOYSA-N 1 0 306.362 3.075 20 5 DGBDRO C[C@H]1[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1C ZINC000896555891 618928276 /nfs/dbraw/zinc/92/82/76/618928276.db2.gz RQECZMDLDGZNQW-QPUJVOFHSA-N 1 0 318.204 3.084 20 5 DGBDRO CO[C@H]1CC[C@H]1N(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000897147388 619022789 /nfs/dbraw/zinc/02/27/89/619022789.db2.gz LMWDGJJVALOCAC-ZBFHGGJFSA-N 1 0 301.346 3.065 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@H]3CCCCO3)CC2)cc1Cl ZINC000897387082 619101524 /nfs/dbraw/zinc/10/15/24/619101524.db2.gz DTZDDHJRSSMREO-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000897461268 619130178 /nfs/dbraw/zinc/13/01/78/619130178.db2.gz ZAVHNDOEZSHDFB-CDWYPIIHSA-N 1 0 316.401 3.101 20 5 DGBDRO CC(C)n1cncc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465654 619130591 /nfs/dbraw/zinc/13/05/91/619130591.db2.gz YZGGTWXNDBJJPO-ZDUSSCGKSA-N 1 0 302.378 3.266 20 5 DGBDRO Cc1nc(F)ccc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463776 619130632 /nfs/dbraw/zinc/13/06/32/619130632.db2.gz ITQVHBLNSGLHCK-LLVKDONJSA-N 1 0 303.337 3.331 20 5 DGBDRO COC1CCC(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897461800 619130660 /nfs/dbraw/zinc/13/06/60/619130660.db2.gz XTCQAPACTPEDNX-WLYUNCDWSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@H](CC1CCOCC1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466673 619130874 /nfs/dbraw/zinc/13/08/74/619130874.db2.gz ZCUJNOUSCHCUAO-ZIAGYGMSSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000897469558 619131648 /nfs/dbraw/zinc/13/16/48/619131648.db2.gz MNCXYMJMEINHRP-GFCCVEGCSA-N 1 0 315.329 3.396 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000897469919 619131884 /nfs/dbraw/zinc/13/18/84/619131884.db2.gz TYPVYQPRXRHHRG-ZDUSSCGKSA-N 1 0 316.405 3.440 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000897511899 619142082 /nfs/dbraw/zinc/14/20/82/619142082.db2.gz QQLAONULNXFXAJ-DZGCQCFKSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000897536915 619151039 /nfs/dbraw/zinc/15/10/39/619151039.db2.gz YEWRFKRHEZNXKO-IAQYHMDHSA-N 1 0 312.797 3.279 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897774809 619179219 /nfs/dbraw/zinc/17/92/19/619179219.db2.gz VKJZJBFOWQOGRH-RFSCMCKOSA-N 1 0 304.390 3.259 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CCO)C1CCCC1 ZINC000897885022 619191513 /nfs/dbraw/zinc/19/15/13/619191513.db2.gz CHPGOKRTYOTTJM-DXWDOBMASA-N 1 0 304.390 3.139 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898198332 619225859 /nfs/dbraw/zinc/22/58/59/619225859.db2.gz QEZMEZGLPPIIRW-GFCCVEGCSA-N 1 0 319.188 3.152 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cccc1[N+](=O)[O-] ZINC000926941185 619251467 /nfs/dbraw/zinc/25/14/67/619251467.db2.gz AJCZCOVCWPHZHF-XQLPTFJDSA-N 1 0 302.374 3.145 20 5 DGBDRO CCC1(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CCOCC1 ZINC000903105482 619717358 /nfs/dbraw/zinc/71/73/58/619717358.db2.gz SMKGFJRYCMDRAB-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)C[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903110636 619718215 /nfs/dbraw/zinc/71/82/15/619718215.db2.gz FGPIHJGOTBIETD-FRRDWIJNSA-N 1 0 308.378 3.069 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903096996 619719406 /nfs/dbraw/zinc/71/94/06/619719406.db2.gz OKSOMGTVMQCSKN-MQIPJXDCSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2OC)cc([N+](=O)[O-])c1 ZINC000903130529 619722875 /nfs/dbraw/zinc/72/28/75/619722875.db2.gz CRQYUQRBXIAXKU-HWWQOWPSSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCCCOC(C)C)cc([N+](=O)[O-])c1 ZINC000903146869 619725664 /nfs/dbraw/zinc/72/56/64/619725664.db2.gz BUWMNKXKUCIQHE-ZDUSSCGKSA-N 1 0 310.394 3.459 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2cccc(C)n2)cc([N+](=O)[O-])c1 ZINC000903165242 619728376 /nfs/dbraw/zinc/72/83/76/619728376.db2.gz QHTBEIILNOUGGX-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903147732 619728896 /nfs/dbraw/zinc/72/88/96/619728896.db2.gz RZPGGTFUVALNJT-AGIUHOORSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC2(OC)CCCC2)cc([N+](=O)[O-])c1 ZINC000903178298 619730997 /nfs/dbraw/zinc/73/09/97/619730997.db2.gz WIUNSXMKNVUDQO-LBPRGKRZSA-N 1 0 308.378 3.213 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903184439 619732063 /nfs/dbraw/zinc/73/20/63/619732063.db2.gz BVFTXQMYVKULNU-FMSGJZPZSA-N 1 0 308.378 3.068 20 5 DGBDRO COc1cc([C@@H](C)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903199626 619734832 /nfs/dbraw/zinc/73/48/32/619734832.db2.gz KWYPVUMHBLGKFR-TZMCWYRMSA-N 1 0 321.421 3.127 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cc(N(C)C)cc[nH+]1 ZINC000903202148 619735779 /nfs/dbraw/zinc/73/57/79/619735779.db2.gz XWKNBAQWWUOXDY-ZDUSSCGKSA-N 1 0 314.389 3.215 20 5 DGBDRO Cc1c([C@@H](C)NCc2cc(N(C)C)cc[nH+]2)cccc1[N+](=O)[O-] ZINC000903201765 619736097 /nfs/dbraw/zinc/73/60/97/619736097.db2.gz MUGGBOKDNHBRCS-CYBMUJFWSA-N 1 0 314.389 3.215 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903187755 619736708 /nfs/dbraw/zinc/73/67/08/619736708.db2.gz WODWDVWOYJIVHD-XMZIXOGTSA-N 1 0 308.378 3.068 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc([N+](=O)[O-])c1 ZINC000903216786 619740225 /nfs/dbraw/zinc/74/02/25/619740225.db2.gz IMPMQRDDBCOTJE-LZDSYCOUSA-N 1 0 320.389 3.212 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000903244856 619743405 /nfs/dbraw/zinc/74/34/05/619743405.db2.gz FNNARUDRWUWSHE-XJKSGUPXSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000903245336 619743534 /nfs/dbraw/zinc/74/35/34/619743534.db2.gz KSMUFNVRXRYPJK-CJNGLKHVSA-N 1 0 304.390 3.247 20 5 DGBDRO Cc1nccnc1[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245854 619743683 /nfs/dbraw/zinc/74/36/83/619743683.db2.gz PAKVEDQXKGRRFW-DGCLKSJQSA-N 1 0 300.362 3.148 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000903252095 619744947 /nfs/dbraw/zinc/74/49/47/619744947.db2.gz LZBUESSWSROHET-PJQXDXOGSA-N 1 0 322.380 3.212 20 5 DGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246792 619747808 /nfs/dbraw/zinc/74/78/08/619747808.db2.gz XBFDWURRJMSVCU-NWDGAFQWSA-N 1 0 302.378 3.091 20 5 DGBDRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246790 619747870 /nfs/dbraw/zinc/74/78/70/619747870.db2.gz XBFDWURRJMSVCU-NEPJUHHUSA-N 1 0 302.378 3.091 20 5 DGBDRO COC[C@H](CC1CCOCC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287494 619754402 /nfs/dbraw/zinc/75/44/02/619754402.db2.gz POGSORWKTFAHSL-CJNGLKHVSA-N 1 0 322.405 3.077 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000903287768 619754477 /nfs/dbraw/zinc/75/44/77/619754477.db2.gz GGIKBRKJNYVVTA-NEMWNAMBSA-N 1 0 302.374 3.201 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(OC(C)C)CCOC2)cc1[N+](=O)[O-] ZINC000903359296 619764983 /nfs/dbraw/zinc/76/49/83/619764983.db2.gz BQZWOTKJZUHZCD-RHSMWYFYSA-N 1 0 322.405 3.138 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(CCO)cc1 ZINC000903395508 619766904 /nfs/dbraw/zinc/76/69/04/619766904.db2.gz DWEADLWKSONIJA-AWEZNQCLSA-N 1 0 314.385 3.289 20 5 DGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCC[NH2+]C1 ZINC000903718171 619803117 /nfs/dbraw/zinc/80/31/17/619803117.db2.gz HSLXPBFMBZKWGE-GFCCVEGCSA-N 1 0 311.813 3.070 20 5 DGBDRO [NH3+]CC1([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000903815643 619814222 /nfs/dbraw/zinc/81/42/22/619814222.db2.gz SKQGDZLDXCMPSY-MRXNPFEDSA-N 1 0 321.396 3.217 20 5 DGBDRO CC1(C)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH3+] ZINC000903984752 619852028 /nfs/dbraw/zinc/85/20/28/619852028.db2.gz YPUYWHXKOYSEOF-INIZCTEOSA-N 1 0 315.373 3.024 20 5 DGBDRO O=C(CC[NH2+]CC1(CC2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000905422564 619996614 /nfs/dbraw/zinc/99/66/14/619996614.db2.gz INZUQFYOJPUXGF-UHFFFAOYSA-N 1 0 317.389 3.093 20 5 DGBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000905643876 620016305 /nfs/dbraw/zinc/01/63/05/620016305.db2.gz NYYDWWIRAUDKCO-PXAZEXFGSA-N 1 0 318.348 3.161 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908268960 620197188 /nfs/dbraw/zinc/19/71/88/620197188.db2.gz RYPLFHNXGDAIMI-ZFWWWQNUSA-N 1 0 317.389 3.167 20 5 DGBDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000924840736 620337361 /nfs/dbraw/zinc/33/73/61/620337361.db2.gz FXBJIKPJRLKNFC-CJNGLKHVSA-N 1 0 310.394 3.023 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000915207794 620573721 /nfs/dbraw/zinc/57/37/21/620573721.db2.gz CCMOHICJNZBNCT-CQDKDKBSSA-N 1 0 306.410 3.266 20 5 DGBDRO CCN(CCC[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000788075655 620894237 /nfs/dbraw/zinc/89/42/37/620894237.db2.gz AUVVEUOXXFANRT-UHFFFAOYSA-N 1 0 324.381 3.061 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCO[C@H]1CCCCO1 ZINC000922233178 621010900 /nfs/dbraw/zinc/01/09/00/621010900.db2.gz VDVSCGQYBRZKPP-KRWDZBQOSA-N 1 0 322.405 3.235 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922460789 621040814 /nfs/dbraw/zinc/04/08/14/621040814.db2.gz JTMIKRFTTOISBD-WCQYABFASA-N 1 0 318.295 3.103 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1nc2c(s1)CCC2 ZINC000922469673 621040918 /nfs/dbraw/zinc/04/09/18/621040918.db2.gz FKWCNBCBVUNXBE-GQCTYLIASA-N 1 0 315.398 3.343 20 5 DGBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1C ZINC000922556407 621057130 /nfs/dbraw/zinc/05/71/30/621057130.db2.gz GXHKYNBUVPRZQO-IUODEOHRSA-N 1 0 315.373 3.037 20 5 DGBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C ZINC000922556906 621057182 /nfs/dbraw/zinc/05/71/82/621057182.db2.gz JYCIWMBWEGKEQQ-LRDDRELGSA-N 1 0 315.373 3.037 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000922695223 621085748 /nfs/dbraw/zinc/08/57/48/621085748.db2.gz MRMYNQYNWGRXEC-YPMHNXCESA-N 1 0 318.295 3.184 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000922898723 621128912 /nfs/dbraw/zinc/12/89/12/621128912.db2.gz ZUOUUDYYVSBCDA-WBVHZDCISA-N 1 0 304.390 3.198 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533958 621192338 /nfs/dbraw/zinc/19/23/38/621192338.db2.gz PJYMDGMVQCWYTP-RHSMWYFYSA-N 1 0 303.406 3.182 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000858477729 621196233 /nfs/dbraw/zinc/19/62/33/621196233.db2.gz XQZOFWSQIFGTSI-GDBMZVCRSA-N 1 0 318.373 3.287 20 5 DGBDRO CCO[C@H](CN(C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000859168430 621256537 /nfs/dbraw/zinc/25/65/37/621256537.db2.gz ONARTKDRAYWMEL-OAHLLOKOSA-N 1 0 312.797 3.495 20 5 DGBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000860053229 621360375 /nfs/dbraw/zinc/36/03/75/621360375.db2.gz TUKLLIVLSCHUCQ-LLVKDONJSA-N 1 0 307.375 3.171 20 5 DGBDRO C[NH+](C)CCCCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000754681677 621524571 /nfs/dbraw/zinc/52/45/71/621524571.db2.gz SWKNVWJDFIAXPO-UHFFFAOYSA-N 1 0 320.345 3.230 20 5 DGBDRO Cc1ccc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000755921751 621603498 /nfs/dbraw/zinc/60/34/98/621603498.db2.gz USCINXXDGBRJEQ-OAHLLOKOSA-N 1 0 303.406 3.071 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000760126559 621916456 /nfs/dbraw/zinc/91/64/56/621916456.db2.gz NDAXKIIQOZCHFP-JOZWUWCOSA-N 1 0 318.373 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cn(C3CC3)cn2)cc1 ZINC000865474956 621929633 /nfs/dbraw/zinc/92/96/33/621929633.db2.gz PXJALVLYHLDGES-UHFFFAOYSA-N 1 0 314.389 3.239 20 5 DGBDRO CCOC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000789589421 625531484 /nfs/dbraw/zinc/53/14/84/625531484.db2.gz PSLDRFFEPGQCNT-ZDUSSCGKSA-N 1 0 300.786 3.399 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000865762088 621990492 /nfs/dbraw/zinc/99/04/92/621990492.db2.gz LFAFNUYNUBTOTN-QDBVJCLKSA-N 1 0 316.401 3.403 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCSCCC(F)(F)F)cc1 ZINC000865789205 621996631 /nfs/dbraw/zinc/99/66/31/621996631.db2.gz SEGJLUVZFDOSCD-UHFFFAOYSA-N 1 0 308.325 3.370 20 5 DGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761290349 621999623 /nfs/dbraw/zinc/99/96/23/621999623.db2.gz IDOOPVHMBGARBI-YPMHNXCESA-N 1 0 302.378 3.331 20 5 DGBDRO CCC1([NH+]2CCCC2)CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000866022534 622034070 /nfs/dbraw/zinc/03/40/70/622034070.db2.gz BRTSHOWCIDBGST-UHFFFAOYSA-N 1 0 318.421 3.022 20 5 DGBDRO CCC1([NH+]2CCCC2)CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000866023176 622034568 /nfs/dbraw/zinc/03/45/68/622034568.db2.gz IDJDUESEPSCTPM-UHFFFAOYSA-N 1 0 318.421 3.143 20 5 DGBDRO COc1cccc(NC2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000866147659 622055090 /nfs/dbraw/zinc/05/50/90/622055090.db2.gz UCNHLTIPVKZJJO-UHFFFAOYSA-N 1 0 307.394 3.278 20 5 DGBDRO Cc1nn(C[N@H+]2CC3(CCC3)C[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000762140499 622056336 /nfs/dbraw/zinc/05/63/36/622056336.db2.gz DVIIMPHTSQCQPG-LBPRGKRZSA-N 1 0 314.389 3.475 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOC1CCCC1 ZINC000866249890 622076013 /nfs/dbraw/zinc/07/60/13/622076013.db2.gz PUBULFRQVUNUNL-GFCCVEGCSA-N 1 0 310.369 3.214 20 5 DGBDRO CCc1nc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000866262982 622079039 /nfs/dbraw/zinc/07/90/39/622079039.db2.gz KENBVTBEBWHQON-JTQLQIEISA-N 1 0 323.393 3.474 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccsc1 ZINC000866270627 622080818 /nfs/dbraw/zinc/08/08/18/622080818.db2.gz QMZXFWQDVMPABJ-ZUZCIYMTSA-N 1 0 324.377 3.050 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000866277229 622083328 /nfs/dbraw/zinc/08/33/28/622083328.db2.gz KRFSDEWUXJLOMK-WBMJQRKESA-N 1 0 324.396 3.460 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000866307347 622089644 /nfs/dbraw/zinc/08/96/44/622089644.db2.gz YPIDBIJSYWFZME-IUODEOHRSA-N 1 0 322.380 3.356 20 5 DGBDRO CCOCCC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866308534 622090268 /nfs/dbraw/zinc/09/02/68/622090268.db2.gz DDCBRTKXHARKES-ZDUSSCGKSA-N 1 0 324.396 3.461 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000866339783 622097593 /nfs/dbraw/zinc/09/75/93/622097593.db2.gz DVAMVSKKQLWOPN-PJQXDXOGSA-N 1 0 322.380 3.212 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000866344229 622098438 /nfs/dbraw/zinc/09/84/38/622098438.db2.gz SAUFEQODJKDJFX-FZMZJTMJSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000866344230 622098670 /nfs/dbraw/zinc/09/86/70/622098670.db2.gz SAUFEQODJKDJFX-RISCZKNCSA-N 1 0 310.369 3.212 20 5 DGBDRO COC1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000866362208 622102903 /nfs/dbraw/zinc/10/29/03/622102903.db2.gz BYBCLNBRLZXBDN-GFCCVEGCSA-N 1 0 310.369 3.214 20 5 DGBDRO CCn1cc([C@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000866371448 622105217 /nfs/dbraw/zinc/10/52/17/622105217.db2.gz MJNNLUAZCNOKNB-NEPJUHHUSA-N 1 0 320.368 3.232 20 5 DGBDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc(C)n1 ZINC000866376732 622106625 /nfs/dbraw/zinc/10/66/25/622106625.db2.gz QUQQRMIQMLNHJP-NSHDSACASA-N 1 0 317.364 3.467 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000866385733 622108016 /nfs/dbraw/zinc/10/80/16/622108016.db2.gz PXQCPOGKYDACFH-SWLSCSKDSA-N 1 0 323.412 3.127 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000866388955 622108832 /nfs/dbraw/zinc/10/88/32/622108832.db2.gz BRVZWXXVXMULNZ-LALPHHSUSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CC1(F)F ZINC000866389695 622108884 /nfs/dbraw/zinc/10/88/84/622108884.db2.gz IHGFSHQCXCBTFA-TVQRCGJNSA-N 1 0 302.296 3.300 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@H]2CCSC2)n1 ZINC000866402484 622111943 /nfs/dbraw/zinc/11/19/43/622111943.db2.gz JYCIYFURVIKPTA-MELADBBJSA-N 1 0 324.450 3.008 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3F)CC2)cc1 ZINC000866449830 622121011 /nfs/dbraw/zinc/12/10/11/622121011.db2.gz JCSTWVPRBXELKJ-DLBZAZTESA-N 1 0 321.396 3.434 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000866510828 622129748 /nfs/dbraw/zinc/12/97/48/622129748.db2.gz QFTDFKDJVBCKNH-YLQAJVPDSA-N 1 0 304.390 3.451 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000866512019 622129755 /nfs/dbraw/zinc/12/97/55/622129755.db2.gz HHZINDHWSFOGOH-QANKJYHBSA-N 1 0 316.401 3.377 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@@H](O)C1CCCC1 ZINC000866638342 622152148 /nfs/dbraw/zinc/15/21/48/622152148.db2.gz GCJAQEVXMZEDSK-NVXWUHKLSA-N 1 0 304.390 3.113 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H](O)C1CCCC1 ZINC000866638783 622152486 /nfs/dbraw/zinc/15/24/86/622152486.db2.gz KUZLSKOIEROULD-BLLLJJGKSA-N 1 0 322.405 3.195 20 5 DGBDRO CC(C)CCC[C@@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942833 622195469 /nfs/dbraw/zinc/19/54/69/622195469.db2.gz GZGRTLLUFZKYTE-CXAGYDPISA-N 1 0 321.421 3.100 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000765257469 622254404 /nfs/dbraw/zinc/25/44/04/622254404.db2.gz YKDKLRAQQKSICG-CABCVRRESA-N 1 0 305.422 3.428 20 5 DGBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765845133 622290968 /nfs/dbraw/zinc/29/09/68/622290968.db2.gz MVFWKROLHNRKKG-SUNYJGFJSA-N 1 0 314.385 3.410 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000765844374 622290979 /nfs/dbraw/zinc/29/09/79/622290979.db2.gz FVORNRHLPKMACT-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC[C@@H]1C ZINC000766380640 622325724 /nfs/dbraw/zinc/32/57/24/622325724.db2.gz KAYDNQINTLDDFQ-KBPBESRZSA-N 1 0 314.389 3.394 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000768105050 622438713 /nfs/dbraw/zinc/43/87/13/622438713.db2.gz YYOXUCNUDLWTFN-ZIAGYGMSSA-N 1 0 321.421 3.128 20 5 DGBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000771229133 622729522 /nfs/dbraw/zinc/72/95/22/622729522.db2.gz HILQKVLCRJVXAE-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCn1cccn1 ZINC000872020193 622755479 /nfs/dbraw/zinc/75/54/79/622755479.db2.gz DZCGRUIXQOTVBR-GFCCVEGCSA-N 1 0 320.418 3.254 20 5 DGBDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872023861 622757114 /nfs/dbraw/zinc/75/71/14/622757114.db2.gz WIPFZAFYTSIFGF-IACUBPJLSA-N 1 0 307.369 3.011 20 5 DGBDRO C[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000872024776 622757997 /nfs/dbraw/zinc/75/79/97/622757997.db2.gz DVNQBTKQFATAKY-OLZOCXBDSA-N 1 0 309.385 3.116 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(C)CCOC1 ZINC000872034474 622764778 /nfs/dbraw/zinc/76/47/78/622764778.db2.gz JJWSEWCZMQHHTM-NHYWBVRUSA-N 1 0 310.419 3.394 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000872036663 622766773 /nfs/dbraw/zinc/76/67/73/622766773.db2.gz UTSJMGJMNWRAOP-CHWSQXEVSA-N 1 0 323.462 3.309 20 5 DGBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037444 622766808 /nfs/dbraw/zinc/76/68/08/622766808.db2.gz FTRNTIGRKINRGG-MEBBXXQBSA-N 1 0 324.377 3.354 20 5 DGBDRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043300 622770634 /nfs/dbraw/zinc/77/06/34/622770634.db2.gz WOXMQTADWUSMTI-VXGBXAGGSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@H]([NH2+]CC1(CO)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050036 622775950 /nfs/dbraw/zinc/77/59/50/622775950.db2.gz WBHHYNNBJMVXNG-LBPRGKRZSA-N 1 0 310.369 3.327 20 5 DGBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051143 622776647 /nfs/dbraw/zinc/77/66/47/622776647.db2.gz HKWCJIVYUKHNJR-IAQYHMDHSA-N 1 0 312.385 3.428 20 5 DGBDRO CCOC(CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])OCC ZINC000872064563 622784816 /nfs/dbraw/zinc/78/48/16/622784816.db2.gz HZXQSAHARZXYCO-LLVKDONJSA-N 1 0 314.357 3.174 20 5 DGBDRO C[C@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089791 622799805 /nfs/dbraw/zinc/79/98/05/622799805.db2.gz FGSIXEFTDRVYQL-JSGCOSHPSA-N 1 0 321.396 3.401 20 5 DGBDRO CCC[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000872113389 622815134 /nfs/dbraw/zinc/81/51/34/622815134.db2.gz PAVCMZUTEHEDDA-XJKSGUPXSA-N 1 0 320.389 3.369 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@]12C[C@H]1CCCC2 ZINC000872220100 622860687 /nfs/dbraw/zinc/86/06/87/622860687.db2.gz DSEBXJQGVCLQNN-YVVXQTMVSA-N 1 0 304.390 3.187 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@]12C[C@@H]1CCCC2 ZINC000872220101 622860862 /nfs/dbraw/zinc/86/08/62/622860862.db2.gz DSEBXJQGVCLQNN-ZFZWDLNGSA-N 1 0 304.390 3.187 20 5 DGBDRO Cc1c(C[NH2+]CCN2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000873028307 623020504 /nfs/dbraw/zinc/02/05/04/623020504.db2.gz VCSUZGAWWSGKJT-UHFFFAOYSA-N 1 0 311.385 3.009 20 5 DGBDRO CCCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000873048057 623025394 /nfs/dbraw/zinc/02/53/94/623025394.db2.gz NSKQTUIBAIPJIK-UHFFFAOYSA-N 1 0 315.373 3.377 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cnc2n1CCCC2 ZINC000873124938 623041013 /nfs/dbraw/zinc/04/10/13/623041013.db2.gz WMVLPHLULBHPID-UHFFFAOYSA-N 1 0 314.389 3.034 20 5 DGBDRO CCc1noc(C)c1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873128518 623043241 /nfs/dbraw/zinc/04/32/41/623043241.db2.gz SWJXIDGJMGPPCB-UHFFFAOYSA-N 1 0 303.362 3.360 20 5 DGBDRO Cc1ncsc1CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873131103 623044191 /nfs/dbraw/zinc/04/41/91/623044191.db2.gz LVBACLBUWFMSLZ-UHFFFAOYSA-N 1 0 305.403 3.309 20 5 DGBDRO Cc1c(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000873139519 623047646 /nfs/dbraw/zinc/04/76/46/623047646.db2.gz CJRQBDKHNQXKTI-MRXNPFEDSA-N 1 0 317.433 3.115 20 5 DGBDRO Cc1c(C[NH2+][C@H](c2ccccc2)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000873140488 623047926 /nfs/dbraw/zinc/04/79/26/623047926.db2.gz PJSASUXIHYGRSV-GUYCJALGSA-N 1 0 300.358 3.115 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000873149763 623049994 /nfs/dbraw/zinc/04/99/94/623049994.db2.gz TVSGVFGTNIBGAZ-OAHLLOKOSA-N 1 0 304.390 3.200 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873155608 623053571 /nfs/dbraw/zinc/05/35/71/623053571.db2.gz GVQLPQPJZRFYPI-YLQAJVPDSA-N 1 0 320.389 3.041 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(N)cc(F)c1 ZINC000873289178 623104909 /nfs/dbraw/zinc/10/49/09/623104909.db2.gz QJOKTJWWPVBESU-GFCCVEGCSA-N 1 0 317.364 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000774413752 623141027 /nfs/dbraw/zinc/14/10/27/623141027.db2.gz YLKOABSYUUGQCQ-QZTJIDSGSA-N 1 0 312.369 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000774413751 623141118 /nfs/dbraw/zinc/14/11/18/623141118.db2.gz YLKOABSYUUGQCQ-MSOLQXFVSA-N 1 0 312.369 3.369 20 5 DGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000775060344 623223439 /nfs/dbraw/zinc/22/34/39/623223439.db2.gz JCERKKUMYPSYKY-LBPRGKRZSA-N 1 0 305.334 3.291 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775391766 623265838 /nfs/dbraw/zinc/26/58/38/623265838.db2.gz FAKPPWGXNVIJDV-VHDGCEQUSA-N 1 0 324.471 3.107 20 5 DGBDRO C[C@H](c1ccccc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271125 623404965 /nfs/dbraw/zinc/40/49/65/623404965.db2.gz HYLSPYYLBVMUOQ-DYVFJYSZSA-N 1 0 300.358 3.321 20 5 DGBDRO C[C@@H](c1ccccc1F)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273775 623405103 /nfs/dbraw/zinc/40/51/03/623405103.db2.gz AJIJSNIZSJVZFQ-SJCJKPOMSA-N 1 0 318.348 3.460 20 5 DGBDRO C[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272430 623405134 /nfs/dbraw/zinc/40/51/34/623405134.db2.gz SUDQTNDFDDLZHB-MRXNPFEDSA-N 1 0 320.776 3.414 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000776276881 623405873 /nfs/dbraw/zinc/40/58/73/623405873.db2.gz KYVYKQIDGKMLMI-IRXDYDNUSA-N 1 0 304.390 3.283 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000776276880 623406094 /nfs/dbraw/zinc/40/60/94/623406094.db2.gz KYVYKQIDGKMLMI-IAGOWNOFSA-N 1 0 304.390 3.283 20 5 DGBDRO C[N@H+](CCOc1cc(F)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000776414578 623427057 /nfs/dbraw/zinc/42/70/57/623427057.db2.gz JHDSSWBFSWMCPJ-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO Cc1ccc(C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000776578215 623442381 /nfs/dbraw/zinc/44/23/81/623442381.db2.gz DBARDGJAPQDPPQ-KRWDZBQOSA-N 1 0 316.357 3.194 20 5 DGBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000776578627 623442400 /nfs/dbraw/zinc/44/24/00/623442400.db2.gz HMNHXDWOFNGSAS-FZKQIMNGSA-N 1 0 312.369 3.248 20 5 DGBDRO CC(C)CC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776587071 623443886 /nfs/dbraw/zinc/44/38/86/623443886.db2.gz SMAINDXLYORADH-KRWDZBQOSA-N 1 0 306.406 3.386 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCOC1CCC1 ZINC000777119615 623497646 /nfs/dbraw/zinc/49/76/46/623497646.db2.gz BUCNXIZXRVHAJR-PBHICJAKSA-N 1 0 318.417 3.465 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000777739968 623563796 /nfs/dbraw/zinc/56/37/96/623563796.db2.gz SXHBJMAVWBGPOV-HNNXBMFYSA-N 1 0 308.353 3.125 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955573 623590002 /nfs/dbraw/zinc/59/00/02/623590002.db2.gz PHWDJVDJUMYCIW-CYBMUJFWSA-N 1 0 302.378 3.394 20 5 DGBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1Cl ZINC000876889264 623737435 /nfs/dbraw/zinc/73/74/35/623737435.db2.gz ZIHIKJXPHPJIMC-VOMCLLRMSA-N 1 0 320.780 3.499 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3coc4ccccc34)C2)c1 ZINC000877040306 623773866 /nfs/dbraw/zinc/77/38/66/623773866.db2.gz OLGTXRIDVUEUKF-UHFFFAOYSA-N 1 0 312.329 3.031 20 5 DGBDRO CCS[C@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877078746 623785819 /nfs/dbraw/zinc/78/58/19/623785819.db2.gz CAUAQOVPHGLRAO-VHMBPLKRSA-N 1 0 324.450 3.149 20 5 DGBDRO CCC1CCC([N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C2CC2)CC1 ZINC000779859957 623823414 /nfs/dbraw/zinc/82/34/14/623823414.db2.gz QJSSSVMRAWDGHO-UHFFFAOYSA-N 1 0 306.410 3.490 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000877460708 623893030 /nfs/dbraw/zinc/89/30/30/623893030.db2.gz WVTHOBHIUJVKFY-LBPRGKRZSA-N 1 0 316.279 3.396 20 5 DGBDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000877519644 623920591 /nfs/dbraw/zinc/92/05/91/623920591.db2.gz YXZNPVAYNBCACB-KDOFPFPSSA-N 1 0 314.385 3.157 20 5 DGBDRO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877590211 623953338 /nfs/dbraw/zinc/95/33/38/623953338.db2.gz UQLSBWACRPRISI-CXTZMWEQSA-N 1 0 306.410 3.299 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877741363 624013364 /nfs/dbraw/zinc/01/33/64/624013364.db2.gz VJDNVYISEDWYPF-TZMCWYRMSA-N 1 0 322.430 3.178 20 5 DGBDRO CC(C)(O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000877754612 624020646 /nfs/dbraw/zinc/02/06/46/624020646.db2.gz MVJXCJLHBMUUAM-FNORWQNLSA-N 1 0 304.390 3.091 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000126712639 624028736 /nfs/dbraw/zinc/02/87/36/624028736.db2.gz LVGHETQNNXOWRR-RISCZKNCSA-N 1 0 306.387 3.349 20 5 DGBDRO CC1([NH+]2CCCCC2)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000877795635 624037538 /nfs/dbraw/zinc/03/75/38/624037538.db2.gz QUEPWRSCYQBHAK-UHFFFAOYSA-N 1 0 317.433 3.435 20 5 DGBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877796761 624037658 /nfs/dbraw/zinc/03/76/58/624037658.db2.gz LTWLGGGXZYFKSN-LBPRGKRZSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@H]1CC[C@@]2(CC[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000781586655 624098762 /nfs/dbraw/zinc/09/87/62/624098762.db2.gz NBFZNSYTFSMMSQ-SUMWQHHRSA-N 1 0 314.389 3.414 20 5 DGBDRO CC[C@@]1(C)CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878188373 624206915 /nfs/dbraw/zinc/20/69/15/624206915.db2.gz OQLOSJHVXCLICP-INIZCTEOSA-N 1 0 316.361 3.267 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878341028 624249780 /nfs/dbraw/zinc/24/97/80/624249780.db2.gz RGUSUMGFFTXKHZ-RYUDHWBXSA-N 1 0 316.361 3.408 20 5 DGBDRO C[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782501876 624257321 /nfs/dbraw/zinc/25/73/21/624257321.db2.gz SHPMXIVYRMOBDE-LBPRGKRZSA-N 1 0 323.368 3.327 20 5 DGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782502701 624257382 /nfs/dbraw/zinc/25/73/82/624257382.db2.gz FPCHKYIUKQOSDA-VXGBXAGGSA-N 1 0 323.368 3.183 20 5 DGBDRO CC[C@@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782511216 624257891 /nfs/dbraw/zinc/25/78/91/624257891.db2.gz PYBLYBQIJHIAFC-INIZCTEOSA-N 1 0 323.368 3.185 20 5 DGBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782653663 624270507 /nfs/dbraw/zinc/27/05/07/624270507.db2.gz KHAAKSFXLLQDBO-QWHCGFSZSA-N 1 0 320.311 3.195 20 5 DGBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782653666 624270554 /nfs/dbraw/zinc/27/05/54/624270554.db2.gz KHAAKSFXLLQDBO-STQMWFEESA-N 1 0 320.311 3.195 20 5 DGBDRO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000878418255 624273541 /nfs/dbraw/zinc/27/35/41/624273541.db2.gz KESUADPCPSJKPI-LLVKDONJSA-N 1 0 316.361 3.313 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878508871 624293475 /nfs/dbraw/zinc/29/34/75/624293475.db2.gz VEURPGJKDXIJGB-YPMHNXCESA-N 1 0 316.361 3.313 20 5 DGBDRO Cc1nn(C[N@H+]2C[C@@H](c3ccc(C)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000782957633 624294845 /nfs/dbraw/zinc/29/48/45/624294845.db2.gz XTXCBCUAXWLJEN-CJNGLKHVSA-N 1 0 314.389 3.244 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1Cl ZINC000783535945 624363574 /nfs/dbraw/zinc/36/35/74/624363574.db2.gz YTGRJBVMEKQYDL-LBPRGKRZSA-N 1 0 320.780 3.351 20 5 DGBDRO C[C@@](CO)([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000783627815 624376856 /nfs/dbraw/zinc/37/68/56/624376856.db2.gz YFWJYQHVMCQMFI-INIZCTEOSA-N 1 0 320.776 3.246 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[S@](=O)C(C)(C)C ZINC000127391913 624377199 /nfs/dbraw/zinc/37/71/99/624377199.db2.gz CBKRPHSGOVEINX-LAJNKCICSA-N 1 0 312.435 3.101 20 5 DGBDRO C[C@H](OC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000783776785 624395349 /nfs/dbraw/zinc/39/53/49/624395349.db2.gz MOQPKQHMYBLNAR-CRWXNKLISA-N 1 0 320.389 3.460 20 5 DGBDRO C[C@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC(C)(C)C1 ZINC000784005896 624419791 /nfs/dbraw/zinc/41/97/91/624419791.db2.gz BLDVRZFAIWSOIF-GFCCVEGCSA-N 1 0 302.378 3.270 20 5 DGBDRO C[N@H+](C[C@H]1CC=CCC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000784013760 624421282 /nfs/dbraw/zinc/42/12/82/624421282.db2.gz LASFTTIJWOMWNB-ZDUSSCGKSA-N 1 0 300.362 3.190 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879239427 624457700 /nfs/dbraw/zinc/45/77/00/624457700.db2.gz APFUKCYAHWKOLK-QZTJIDSGSA-N 1 0 312.369 3.293 20 5 DGBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@]12C[C@H]1CCCC2 ZINC000879263011 624470302 /nfs/dbraw/zinc/47/03/02/624470302.db2.gz HFJVAEWRJFIQTE-AHIWAGSCSA-N 1 0 317.389 3.092 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784579616 624551759 /nfs/dbraw/zinc/55/17/59/624551759.db2.gz WQWRLAARNBPYSL-ZIAGYGMSSA-N 1 0 320.389 3.131 20 5 DGBDRO COc1cc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000879530010 624578437 /nfs/dbraw/zinc/57/84/37/624578437.db2.gz JDZDNWCEYHSJQS-TXEJJXNPSA-N 1 0 306.337 3.141 20 5 DGBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000785540504 624682929 /nfs/dbraw/zinc/68/29/29/624682929.db2.gz KSYFSXXRHOCKMB-GYSYKLTISA-N 1 0 312.797 3.230 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(CF)cc3)CC2)n1 ZINC000785855808 624745980 /nfs/dbraw/zinc/74/59/80/624745980.db2.gz CQGJSZZTPSSAAX-UHFFFAOYSA-N 1 0 318.352 3.098 20 5 DGBDRO Cc1csc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000880011201 624752487 /nfs/dbraw/zinc/75/24/87/624752487.db2.gz IQXWZBVIPMDUGH-LBPRGKRZSA-N 1 0 321.377 3.488 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C(F)(F)F)CC1 ZINC000880047701 624766464 /nfs/dbraw/zinc/76/64/64/624766464.db2.gz WVVCGOFLJCYGCZ-ZWNOBZJWSA-N 1 0 318.295 3.309 20 5 DGBDRO COC(=O)[C@]12CCC[C@H]1[N@@H+]([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000880179783 624822597 /nfs/dbraw/zinc/82/25/97/624822597.db2.gz PUVPHMCWTRZVFD-VMGRFDJRSA-N 1 0 318.373 3.073 20 5 DGBDRO Cc1ccc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000880222306 624851392 /nfs/dbraw/zinc/85/13/92/624851392.db2.gz MBQJONQLDQJLRC-MAEOIBBWSA-N 1 0 312.369 3.043 20 5 DGBDRO C[C@@H]1c2sccc2CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880377072 624943545 /nfs/dbraw/zinc/94/35/45/624943545.db2.gz NCKOTICJXLEKTN-IAQYHMDHSA-N 1 0 318.398 3.309 20 5 DGBDRO CO[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000786810864 624955416 /nfs/dbraw/zinc/95/54/16/624955416.db2.gz BLRFOARIOTWQDZ-BCRSCGJKSA-N 1 0 318.295 3.165 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)N1CCCCC1 ZINC000786811707 624955492 /nfs/dbraw/zinc/95/54/92/624955492.db2.gz LEPBZNFRMGYHLA-SFKKXYGYSA-N 1 0 317.433 3.462 20 5 DGBDRO CC(=O)OC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000787406003 625007443 /nfs/dbraw/zinc/00/74/43/625007443.db2.gz JSHRIEZDAXNDBH-JLHYYAGUSA-N 1 0 318.373 3.026 20 5 DGBDRO CCC(CC)[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)N(C)C ZINC000788521654 625205960 /nfs/dbraw/zinc/20/59/60/625205960.db2.gz WBJHHLVCHHWJPO-PXAZEXFGSA-N 1 0 322.453 3.194 20 5 DGBDRO CCc1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000788581274 625220396 /nfs/dbraw/zinc/22/03/96/625220396.db2.gz VKANRNBIMYDHQL-MRXNPFEDSA-N 1 0 314.389 3.393 20 5 DGBDRO Cc1nc(C)c(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000788590805 625222001 /nfs/dbraw/zinc/22/20/01/625222001.db2.gz GXNIFIMXQYMTOI-SECBINFHSA-N 1 0 320.418 3.144 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCC2(C)OCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000788599535 625223748 /nfs/dbraw/zinc/22/37/48/625223748.db2.gz DCBCLADNIGXINP-OAHLLOKOSA-N 1 0 320.389 3.060 20 5 DGBDRO CSC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000788605436 625225700 /nfs/dbraw/zinc/22/57/00/625225700.db2.gz JXPVUTHWYWGGQQ-UHFFFAOYSA-N 1 0 321.446 3.049 20 5 DGBDRO CC(C)[NH+](CCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000788609940 625226658 /nfs/dbraw/zinc/22/66/58/625226658.db2.gz KHBFEELCURSIFJ-CQSZACIVSA-N 1 0 322.453 3.337 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613415 625229791 /nfs/dbraw/zinc/22/97/91/625229791.db2.gz WQMISGCCHDYWRQ-HIFRSBDPSA-N 1 0 320.437 3.092 20 5 DGBDRO C[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC000788647449 625235673 /nfs/dbraw/zinc/23/56/73/625235673.db2.gz UHVLJJIAOQRTRK-CHWSQXEVSA-N 1 0 315.373 3.295 20 5 DGBDRO C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788670910 625238277 /nfs/dbraw/zinc/23/82/77/625238277.db2.gz LERHGDCGKQTZIM-GDZNZVCISA-N 1 0 321.421 3.159 20 5 DGBDRO CCC1([NH+](C)C)CCN(c2cccc([N+](=O)[O-])c2C(C)=O)CC1 ZINC000882681315 625784914 /nfs/dbraw/zinc/78/49/14/625784914.db2.gz ORFBCNOCVDWRPY-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO CCC1([NH+]2CCCCC2)CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000882817112 625825426 /nfs/dbraw/zinc/82/54/26/625825426.db2.gz OFDLXUQKHBRCDH-UHFFFAOYSA-N 1 0 318.421 3.225 20 5 DGBDRO COCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000792464060 625947160 /nfs/dbraw/zinc/94/71/60/625947160.db2.gz KRSDHLJWRVBOOQ-WFASDCNBSA-N 1 0 310.369 3.371 20 5 DGBDRO COCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000792464054 625947726 /nfs/dbraw/zinc/94/77/26/625947726.db2.gz KRSDHLJWRVBOOQ-IUODEOHRSA-N 1 0 310.369 3.371 20 5 DGBDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000796449266 626050791 /nfs/dbraw/zinc/05/07/91/626050791.db2.gz GVLACJSNELTWGQ-SFHVURJKSA-N 1 0 314.385 3.289 20 5 DGBDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000796450065 626051379 /nfs/dbraw/zinc/05/13/79/626051379.db2.gz JTYHGTKNTBOJTA-QGZVFWFLSA-N 1 0 318.348 3.120 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796575262 626063155 /nfs/dbraw/zinc/06/31/55/626063155.db2.gz LMHWOTLRWXRRMY-GDBMZVCRSA-N 1 0 306.406 3.386 20 5 DGBDRO CCCCC[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000799992450 626341366 /nfs/dbraw/zinc/34/13/66/626341366.db2.gz VSIFBMDYWPGIEX-ZDUSSCGKSA-N 1 0 307.394 3.482 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000801574162 626410319 /nfs/dbraw/zinc/41/03/19/626410319.db2.gz QPERMYBSIFBAEJ-ZDUSSCGKSA-N 1 0 316.332 3.217 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)OCC[C@H]2CCCC[N@H+]2C)c1F ZINC000803461536 626616849 /nfs/dbraw/zinc/61/68/49/626616849.db2.gz ZDTLHBGCOXSKKP-GFCCVEGCSA-N 1 0 324.352 3.074 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3C=CCC3)CC2)cc1 ZINC000883246234 626622361 /nfs/dbraw/zinc/62/23/61/626622361.db2.gz DMTWGOGDTNAYKF-AWEZNQCLSA-N 1 0 301.390 3.119 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccns1 ZINC000883248075 626623190 /nfs/dbraw/zinc/62/31/90/626623190.db2.gz GQASTRLKSOZYTA-GFCCVEGCSA-N 1 0 305.403 3.205 20 5 DGBDRO COc1cc(C[NH2+]CC(C)(C)CC(F)F)c([N+](=O)[O-])cc1O ZINC000883252178 626624371 /nfs/dbraw/zinc/62/43/71/626624371.db2.gz VUEHAXVZPWHXOB-UHFFFAOYSA-N 1 0 318.320 3.080 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000883263562 626628710 /nfs/dbraw/zinc/62/87/10/626628710.db2.gz ZDMSCEBOQSNZER-YGUOUDRMSA-N 1 0 316.357 3.369 20 5 DGBDRO C[N@H+](CCCNc1ccc(N)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000804331141 626669987 /nfs/dbraw/zinc/66/99/87/626669987.db2.gz JYDCGMANWUZTGK-UHFFFAOYSA-N 1 0 314.389 3.111 20 5 DGBDRO CC(C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000804348186 626671958 /nfs/dbraw/zinc/67/19/58/626671958.db2.gz CBSBBTYGDBDWJJ-QGZVFWFLSA-N 1 0 320.437 3.345 20 5 DGBDRO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000804362212 626673528 /nfs/dbraw/zinc/67/35/28/626673528.db2.gz VHLNTSNJCGLOQA-GFCCVEGCSA-N 1 0 322.365 3.037 20 5 DGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804372047 626674022 /nfs/dbraw/zinc/67/40/22/626674022.db2.gz HYVPBHPMUMNDOQ-NEPJUHHUSA-N 1 0 322.365 3.035 20 5 DGBDRO C[NH+](C)CC1(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCCC1 ZINC000804613363 626697696 /nfs/dbraw/zinc/69/76/96/626697696.db2.gz GRVRLCZFYIRIRN-UHFFFAOYSA-N 1 0 322.365 3.037 20 5 DGBDRO CC(C)SCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000806167992 626703869 /nfs/dbraw/zinc/70/38/69/626703869.db2.gz QKHOCRCJFQHTAQ-UHFFFAOYSA-N 1 0 323.462 3.295 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000800164965 626816517 /nfs/dbraw/zinc/81/65/17/626816517.db2.gz PXOTXOKNQIBZKW-UHFFFAOYSA-N 1 0 314.769 3.137 20 5 DGBDRO Cc1nn(C[NH+]2CCCCCCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000840135022 626817267 /nfs/dbraw/zinc/81/72/67/626817267.db2.gz XGCXRUXKBRADBF-UHFFFAOYSA-N 1 0 317.393 3.262 20 5 DGBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000808443679 626825054 /nfs/dbraw/zinc/82/50/54/626825054.db2.gz ALKHMNZTHPBVHV-NIDHOBSHSA-N 1 0 312.369 3.320 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000884716528 626934948 /nfs/dbraw/zinc/93/49/48/626934948.db2.gz AYYUDZZWVMQMHI-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO [NH3+]CCN(Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809734689 626943672 /nfs/dbraw/zinc/94/36/72/626943672.db2.gz JYDBBFXHXDUGFA-UHFFFAOYSA-N 1 0 305.765 3.214 20 5 DGBDRO CC(C)c1cnc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000809734766 626943686 /nfs/dbraw/zinc/94/36/86/626943686.db2.gz KWXKAKQSIFYFMU-UHFFFAOYSA-N 1 0 320.418 3.140 20 5 DGBDRO COCC(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809940972 626961348 /nfs/dbraw/zinc/96/13/48/626961348.db2.gz UGNGFSTUQODQNW-UHFFFAOYSA-N 1 0 307.177 3.416 20 5 DGBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000810852006 627056295 /nfs/dbraw/zinc/05/62/95/627056295.db2.gz OLOBPDBNHGFFAU-OCCSQVGLSA-N 1 0 324.764 3.032 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886289143 627132109 /nfs/dbraw/zinc/13/21/09/627132109.db2.gz OGFWMMIXYWAGAH-OMVNSRBRSA-N 1 0 302.374 3.157 20 5 DGBDRO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000886432514 627148473 /nfs/dbraw/zinc/14/84/73/627148473.db2.gz ZRMPDYSDZWWCEQ-KRWDZBQOSA-N 1 0 300.358 3.069 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000886703338 627195182 /nfs/dbraw/zinc/19/51/82/627195182.db2.gz SWMQXPWAOPTSKC-NWDGAFQWSA-N 1 0 308.353 3.344 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000886727167 627197949 /nfs/dbraw/zinc/19/79/49/627197949.db2.gz JOJVELNPWBRXRA-UAGQMJEPSA-N 1 0 318.417 3.465 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886815377 627208001 /nfs/dbraw/zinc/20/80/01/627208001.db2.gz COZNHKRWASSQPF-IUODEOHRSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)ccc1Cl ZINC000886822582 627208718 /nfs/dbraw/zinc/20/87/18/627208718.db2.gz RVXRTQFUDYZEOL-SWLSCSKDSA-N 1 0 310.781 3.249 20 5 DGBDRO C[C@@H]([NH2+]CC1(C2(O)CCC2)CCC1)c1ccccc1[N+](=O)[O-] ZINC000886976607 627217609 /nfs/dbraw/zinc/21/76/09/627217609.db2.gz GTHNFIVIKKAVDZ-CYBMUJFWSA-N 1 0 304.390 3.331 20 5 DGBDRO C[N@@H+]1CCCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811452914 627275549 /nfs/dbraw/zinc/27/55/49/627275549.db2.gz KVABDBYMGXDTBT-UHFFFAOYSA-N 1 0 318.204 3.039 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@H]1CCOC1 ZINC000811490173 627280372 /nfs/dbraw/zinc/28/03/72/627280372.db2.gz NSVQXRFEYKBPCJ-VIFPVBQESA-N 1 0 319.188 3.418 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000811869841 627331610 /nfs/dbraw/zinc/33/16/10/627331610.db2.gz ZLTWUNZLJKGVKY-LBPRGKRZSA-N 1 0 307.394 3.330 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000812834150 627427254 /nfs/dbraw/zinc/42/72/54/627427254.db2.gz LUFWJSRWZAQFKM-MRXNPFEDSA-N 1 0 323.368 3.054 20 5 DGBDRO CCC/C=C\C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173083 627461733 /nfs/dbraw/zinc/46/17/33/627461733.db2.gz UIBJNSPAPSAJDE-FAOGRTBUSA-N 1 0 318.373 3.069 20 5 DGBDRO CC/C=C(/C)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173862 627461757 /nfs/dbraw/zinc/46/17/57/627461757.db2.gz LMXFDAJDWOORJE-VGEAAAHDSA-N 1 0 318.373 3.069 20 5 DGBDRO C[C@H](COc1ccccc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815570406 627685623 /nfs/dbraw/zinc/68/56/23/627685623.db2.gz BKSSLOBDYWJWAZ-OLZOCXBDSA-N 1 0 315.373 3.295 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CO2 ZINC000815596350 627688956 /nfs/dbraw/zinc/68/89/56/627688956.db2.gz QWNJMAAIISWUBZ-XHDPSFHLSA-N 1 0 313.357 3.270 20 5 DGBDRO C[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596314 627689340 /nfs/dbraw/zinc/68/93/40/627689340.db2.gz QHJMCRSUEYTXTO-BLLLJJGKSA-N 1 0 321.421 3.423 20 5 DGBDRO COC1CCC(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815616352 627691156 /nfs/dbraw/zinc/69/11/56/627691156.db2.gz MIGSRZOUDKEJSS-DNOWBOINSA-N 1 0 321.421 3.423 20 5 DGBDRO CC(C)C1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000815647445 627693873 /nfs/dbraw/zinc/69/38/73/627693873.db2.gz KORIKWYVKDYVFB-UHFFFAOYSA-N 1 0 303.406 3.342 20 5 DGBDRO CC1(C)CC2(CC([NH2+]CCc3ccccc3[N+](=O)[O-])C2)CO1 ZINC000925154101 627713822 /nfs/dbraw/zinc/71/38/22/627713822.db2.gz OYKPUDHPRUUIKC-UHFFFAOYSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@H]([NH3+])[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000925582125 627758565 /nfs/dbraw/zinc/75/85/65/627758565.db2.gz XNNKRJGVSQDKLY-ZBEGNZNMSA-N 1 0 319.792 3.426 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1Cl ZINC000816630695 627817567 /nfs/dbraw/zinc/81/75/67/627817567.db2.gz OHHLFRXYMLZWQA-CQSZACIVSA-N 1 0 310.781 3.128 20 5 DGBDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816641089 627818040 /nfs/dbraw/zinc/81/80/40/627818040.db2.gz IIXOVQGFOSNQQO-OAHLLOKOSA-N 1 0 312.797 3.279 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cc[nH]c(=O)c1 ZINC000816639145 627818590 /nfs/dbraw/zinc/81/85/90/627818590.db2.gz JLXBXVKJOCQMGC-VIFPVBQESA-N 1 0 307.737 3.200 20 5 DGBDRO C[C@@H]1CC2(CC([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)C2)CO1 ZINC000926191531 627858577 /nfs/dbraw/zinc/85/85/77/627858577.db2.gz CMBCGHWSCCGAGG-CKQAKLJMSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817589539 627927426 /nfs/dbraw/zinc/92/74/26/627927426.db2.gz ODIHFZPBFDJSOL-YPMHNXCESA-N 1 0 321.446 3.361 20 5 DGBDRO C[C@@H]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C[NH3+] ZINC000817865895 627951711 /nfs/dbraw/zinc/95/17/11/627951711.db2.gz OIXQIAHPZRENJZ-MDZLAQPJSA-N 1 0 311.813 3.053 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926916574 627979646 /nfs/dbraw/zinc/97/96/46/627979646.db2.gz RBHGPRYJYRCNNV-CSMYWGQOSA-N 1 0 322.380 3.214 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927013084 627997494 /nfs/dbraw/zinc/99/74/94/627997494.db2.gz WDYIYOJPNLKWOM-OCCSQVGLSA-N 1 0 319.405 3.319 20 5 DGBDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000927017897 627999053 /nfs/dbraw/zinc/99/90/53/627999053.db2.gz NBZYSTVYCKZTIE-JSGCOSHPSA-N 1 0 310.394 3.195 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccc2c1OCC2 ZINC000927089368 628011770 /nfs/dbraw/zinc/01/17/70/628011770.db2.gz AVISOCQRTIWKAF-MRXNPFEDSA-N 1 0 310.353 3.307 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927158766 628028905 /nfs/dbraw/zinc/02/89/05/628028905.db2.gz JISVPIYLPJHUPF-MLGOLLRUSA-N 1 0 322.380 3.356 20 5 DGBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000818943156 628063921 /nfs/dbraw/zinc/06/39/21/628063921.db2.gz UZIJOYRDYSIMLL-GUYCJALGSA-N 1 0 300.358 3.022 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2ccccc2Cl)cc1 ZINC000818980828 628072573 /nfs/dbraw/zinc/07/25/73/628072573.db2.gz OVXVHSCNCGGLTD-INIZCTEOSA-N 1 0 320.776 3.114 20 5 DGBDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819012864 628077332 /nfs/dbraw/zinc/07/73/32/628077332.db2.gz KKWHKWKBFWHSCW-FUHWJXTLSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000819075997 628087763 /nfs/dbraw/zinc/08/77/63/628087763.db2.gz RZUFHJWGTFLVFD-LBPRGKRZSA-N 1 0 307.394 3.195 20 5 DGBDRO Cc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819088011 628089812 /nfs/dbraw/zinc/08/98/12/628089812.db2.gz FGTXSZBHLYDQEW-MEDUHNTESA-N 1 0 320.414 3.219 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000819102866 628091835 /nfs/dbraw/zinc/09/18/35/628091835.db2.gz BLDDIWGXHPHUCP-GVDBMIGSSA-N 1 0 304.390 3.187 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000819104873 628092838 /nfs/dbraw/zinc/09/28/38/628092838.db2.gz VZNISNOVVFHZLR-GVDBMIGSSA-N 1 0 304.390 3.187 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000819108575 628093434 /nfs/dbraw/zinc/09/34/34/628093434.db2.gz HRKBGFHIWSZKFA-YOKBYHGQSA-N 1 0 304.390 3.187 20 5 DGBDRO Cc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000819114463 628094529 /nfs/dbraw/zinc/09/45/29/628094529.db2.gz WEEBFCWITUAIFF-PXAZEXFGSA-N 1 0 318.373 3.141 20 5 DGBDRO Cc1cccc(C)c1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819172506 628105007 /nfs/dbraw/zinc/10/50/07/628105007.db2.gz YSTOFVFOYJSJTF-KRWDZBQOSA-N 1 0 300.358 3.035 20 5 DGBDRO C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000823671160 628585539 /nfs/dbraw/zinc/58/55/39/628585539.db2.gz JQAIQTRBJQLQSJ-NSHDSACASA-N 1 0 300.362 3.057 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000824721238 628687136 /nfs/dbraw/zinc/68/71/36/628687136.db2.gz ABXJVUNOZQMFHV-BJJXKVORSA-N 1 0 324.808 3.374 20 5 DGBDRO COCc1csc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000824818874 628697266 /nfs/dbraw/zinc/69/72/66/628697266.db2.gz JZVXMBVFDKEVBT-UHFFFAOYSA-N 1 0 318.398 3.361 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000824845028 628699516 /nfs/dbraw/zinc/69/95/16/628699516.db2.gz GUGCMBJSLWKNJD-ZBFHGGJFSA-N 1 0 324.808 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824847122 628699960 /nfs/dbraw/zinc/69/99/60/628699960.db2.gz WNSGFBPPLASUQT-HOCLYGCPSA-N 1 0 324.808 3.135 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H](C)O ZINC000824920875 628707296 /nfs/dbraw/zinc/70/72/96/628707296.db2.gz AMGIFNYVDNETRJ-CPCISQLKSA-N 1 0 307.177 3.151 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000825130188 628730973 /nfs/dbraw/zinc/73/09/73/628730973.db2.gz PCENUCKJMCREND-SNVBAGLBSA-N 1 0 308.769 3.315 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000828889048 629105569 /nfs/dbraw/zinc/10/55/69/629105569.db2.gz QKFIBUANXADWQK-DOMZBBRYSA-N 1 0 308.353 3.125 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000829244659 629144196 /nfs/dbraw/zinc/14/41/96/629144196.db2.gz ZWLOIESOVQFSMX-LLVKDONJSA-N 1 0 320.418 3.125 20 5 DGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000830365784 629259169 /nfs/dbraw/zinc/25/91/69/629259169.db2.gz OITWBKSDSFCPJR-LBPRGKRZSA-N 1 0 324.352 3.074 20 5 DGBDRO O=[N+]([O-])c1cc(CSCC2CC[NH2+]CC2)ccc1Cl ZINC000830484459 629275805 /nfs/dbraw/zinc/27/58/05/629275805.db2.gz YNVBBFKUORPBOR-UHFFFAOYSA-N 1 0 300.811 3.481 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H](C)C1 ZINC000832690466 629505026 /nfs/dbraw/zinc/50/50/26/629505026.db2.gz IABIVTOIBZOXGH-RPCCPQHDSA-N 1 0 306.406 3.433 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834884235 629796874 /nfs/dbraw/zinc/79/68/74/629796874.db2.gz XWVLATDWYNJRRO-CHWSQXEVSA-N 1 0 319.405 3.177 20 5 DGBDRO C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834885898 629797865 /nfs/dbraw/zinc/79/78/65/629797865.db2.gz YTXCNEMXKHKOLZ-UFBFGSQYSA-N 1 0 318.204 3.412 20 5 DGBDRO COCC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCCC1 ZINC000834905465 629804938 /nfs/dbraw/zinc/80/49/38/629804938.db2.gz ITBMJVZXPSTVAL-LBPRGKRZSA-N 1 0 307.394 3.034 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000841085679 630406279 /nfs/dbraw/zinc/40/62/79/630406279.db2.gz APKSGHJLDIIJOQ-LRDDRELGSA-N 1 0 323.824 3.212 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841107175 630409235 /nfs/dbraw/zinc/40/92/35/630409235.db2.gz XVGVZGPXEQRQBP-ZDUSSCGKSA-N 1 0 317.776 3.138 20 5 DGBDRO CC(C)C(N)=[NH+]OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000842039551 630481192 /nfs/dbraw/zinc/48/11/92/630481192.db2.gz MNVQUKOKNHFXHY-UHFFFAOYSA-N 1 0 305.256 3.268 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842474059 630539416 /nfs/dbraw/zinc/53/94/16/630539416.db2.gz CPDUFNVXDKTUFC-IUODEOHRSA-N 1 0 323.824 3.212 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842757629 630572481 /nfs/dbraw/zinc/57/24/81/630572481.db2.gz YHCDIEZFWBHWEL-GXFFZTMASA-N 1 0 300.786 3.135 20 5 DGBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000843053394 630608589 /nfs/dbraw/zinc/60/85/89/630608589.db2.gz KYEGSZIYGZAXMZ-YHWZYXNKSA-N 1 0 309.797 3.092 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000843127232 630617309 /nfs/dbraw/zinc/61/73/09/630617309.db2.gz CUBLXNLMQNEZME-AWEZNQCLSA-N 1 0 309.797 3.013 20 5 DGBDRO C[C@H](Nc1ccc(OCC[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000843367403 630649874 /nfs/dbraw/zinc/64/98/74/630649874.db2.gz OYULZRXTEVASPS-LBPRGKRZSA-N 1 0 301.346 3.105 20 5 DGBDRO CCCCCC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC000843965605 630705149 /nfs/dbraw/zinc/70/51/49/630705149.db2.gz GYPOHLSOBONMSD-UHFFFAOYSA-N 1 0 322.409 3.087 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846038912 631207516 /nfs/dbraw/zinc/20/75/16/631207516.db2.gz OJFZWUVMNISYNA-KBXCAEBGSA-N 1 0 314.385 3.289 20 5 DGBDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000846047069 631208204 /nfs/dbraw/zinc/20/82/04/631208204.db2.gz SHMORVORSGHVKY-IYBDPMFKSA-N 1 0 304.393 3.347 20 5 DGBDRO CCOC(C[N@H+](CC)[C@H](C)c1cccc([N+](=O)[O-])c1)OCC ZINC000846966741 631368511 /nfs/dbraw/zinc/36/85/11/631368511.db2.gz AQDYNJHBPQGCGW-CYBMUJFWSA-N 1 0 310.394 3.377 20 5 DGBDRO CC1CC[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848473783 631666518 /nfs/dbraw/zinc/66/65/18/631666518.db2.gz MCOYZPWHLTYHRK-UHFFFAOYSA-N 1 0 300.362 3.148 20 5 DGBDRO C[N@H+](CCC1CC1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848481708 631669059 /nfs/dbraw/zinc/66/90/59/631669059.db2.gz BYUNLWNKBFXHQE-UHFFFAOYSA-N 1 0 300.362 3.148 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000848520454 631675595 /nfs/dbraw/zinc/67/55/95/631675595.db2.gz PENJFCKKVHHOIC-DOTOQJQBSA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000848520459 631675784 /nfs/dbraw/zinc/67/57/84/631675784.db2.gz PENJFCKKVHHOIC-WBVHZDCISA-N 1 0 316.332 3.044 20 5 DGBDRO C[C@@H](O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848527026 631678002 /nfs/dbraw/zinc/67/80/02/631678002.db2.gz PJFVCQHTJMGYMD-PXAZEXFGSA-N 1 0 312.369 3.425 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000848527015 631678205 /nfs/dbraw/zinc/67/82/05/631678205.db2.gz OYRCMUZJKNSNHK-WBVHZDCISA-N 1 0 316.332 3.044 20 5 DGBDRO [NH2+]=C(NCc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1F ZINC000849079435 631828511 /nfs/dbraw/zinc/82/85/11/631828511.db2.gz NXWVUCPBTIHCLQ-UHFFFAOYSA-N 1 0 306.272 3.009 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1SCCS1 ZINC000850402150 632140865 /nfs/dbraw/zinc/14/08/65/632140865.db2.gz QAOVNCYEBVJJAB-YRNVUSSQSA-N 1 0 310.444 3.394 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC1SCCS1 ZINC000850407550 632142465 /nfs/dbraw/zinc/14/24/65/632142465.db2.gz HEFLJBZCNLUYIF-HYXAFXHYSA-N 1 0 310.444 3.394 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000850424485 632148342 /nfs/dbraw/zinc/14/83/42/632148342.db2.gz JNKKNQPVGADBJX-NWDGAFQWSA-N 1 0 304.346 3.478 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cnc(C)s1 ZINC000850447943 632156201 /nfs/dbraw/zinc/15/62/01/632156201.db2.gz OVPIKRQJLHZIBQ-SNVBAGLBSA-N 1 0 321.402 3.262 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850527961 632181735 /nfs/dbraw/zinc/18/17/35/632181735.db2.gz ZSVDHWCSGXDXRK-LZLYRXPVSA-N 1 0 310.353 3.350 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850542286 632187473 /nfs/dbraw/zinc/18/74/73/632187473.db2.gz LBLIWQXHBMTKHL-MGPLVRAMSA-N 1 0 313.357 3.221 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC1SCCS1 ZINC000850568962 632197599 /nfs/dbraw/zinc/19/75/99/632197599.db2.gz OLJQQOQUXFFSSZ-LBPRGKRZSA-N 1 0 310.444 3.368 20 5 DGBDRO CN(CCc1ccccn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000073515135 660365228 /nfs/dbraw/zinc/36/52/28/660365228.db2.gz WVJKCVMLVYUXCU-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172575995 660672880 /nfs/dbraw/zinc/67/28/80/660672880.db2.gz ZIAGSFKHEAHMMJ-MRXNPFEDSA-N 1 0 321.396 3.184 20 5 DGBDRO CC1=C(C)C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000794889592 661111629 /nfs/dbraw/zinc/11/16/29/661111629.db2.gz HMFYTLZNYDAFML-UHFFFAOYSA-N 1 0 312.373 3.458 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2ccccc2)c(Cl)c1 ZINC000049963359 655628463 /nfs/dbraw/zinc/62/84/63/655628463.db2.gz XUOUMHLFRIIECA-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000050015766 655631113 /nfs/dbraw/zinc/63/11/13/655631113.db2.gz LJVFHCCCRRYMBM-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]CCN1CCOCC1 ZINC000022585306 655719769 /nfs/dbraw/zinc/71/97/69/655719769.db2.gz ZVIHFWZQCGCPKK-UHFFFAOYSA-N 1 0 320.436 3.415 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000715919449 661215895 /nfs/dbraw/zinc/21/58/95/661215895.db2.gz TYWFROZZLIUVMC-OCCSQVGLSA-N 1 0 322.405 3.343 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000062979806 656435198 /nfs/dbraw/zinc/43/51/98/656435198.db2.gz FARCVLPQWAUKPX-CQSZACIVSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(NC[C@@H]2[NH2+]CCc3ccccc32)c(F)c1 ZINC000261860230 657144232 /nfs/dbraw/zinc/14/42/32/657144232.db2.gz KJCKMPRCIUEIQH-HNNXBMFYSA-N 1 0 319.311 3.172 20 5 DGBDRO [NH3+]CCCN(Cc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000303985613 657584232 /nfs/dbraw/zinc/58/42/32/657584232.db2.gz HKOLXIZGLUHVBP-UHFFFAOYSA-N 1 0 317.364 3.085 20 5 DGBDRO CN(CCC[NH+]1CCCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000193466144 658675157 /nfs/dbraw/zinc/67/51/57/658675157.db2.gz GJCLJKYRBGYXHE-UHFFFAOYSA-N 1 0 311.813 3.166 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1CCSCC1 ZINC000229254338 659248515 /nfs/dbraw/zinc/24/85/15/659248515.db2.gz LOTURBIDQVGCIM-UHFFFAOYSA-N 1 0 300.811 3.481 20 5 DGBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172180318 659323498 /nfs/dbraw/zinc/32/34/98/659323498.db2.gz VKKBWRCGBPKTRB-GJZGRUSLSA-N 1 0 312.797 3.374 20 5 DGBDRO C[C@@H]1C[C@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H](C)O1 ZINC000930099842 661366395 /nfs/dbraw/zinc/36/63/95/661366395.db2.gz OSUQKXDWGMQEQB-WDNDVIMCSA-N 1 0 304.390 3.157 20 5 DGBDRO Cc1cccc([C@H](O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000930554648 661410108 /nfs/dbraw/zinc/41/01/08/661410108.db2.gz MKPCJIMPYLKXCW-QGZVFWFLSA-N 1 0 314.385 3.462 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931911513 661520858 /nfs/dbraw/zinc/52/08/58/661520858.db2.gz NUISMASJLVNRCG-GFCCVEGCSA-N 1 0 318.270 3.461 20 5 DGBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000932563482 661580131 /nfs/dbraw/zinc/58/01/31/661580131.db2.gz FMHBRWQHPRHCNS-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933076154 661615873 /nfs/dbraw/zinc/61/58/73/661615873.db2.gz FQLYFOGWJQDGNR-AWEZNQCLSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)C2CCCC2)ccc1Cl ZINC000934010999 661673860 /nfs/dbraw/zinc/67/38/60/661673860.db2.gz ITBCULVKGYNISO-CQSZACIVSA-N 1 0 312.797 3.279 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](Cc3nccs3)C2)cs1 ZINC000934335970 661698940 /nfs/dbraw/zinc/69/89/40/661698940.db2.gz VYHJITMZZKUHPG-JTQLQIEISA-N 1 0 309.416 3.177 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC23CCCC3)ccc1Cl ZINC000934384919 661703621 /nfs/dbraw/zinc/70/36/21/661703621.db2.gz ISJDOBZFNMQCCE-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnn(CC2CCC2)c1 ZINC000934553995 661714909 /nfs/dbraw/zinc/71/49/09/661714909.db2.gz OFMZBDLEQAAPSV-ZDUSSCGKSA-N 1 0 314.389 3.442 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934700511 661727546 /nfs/dbraw/zinc/72/75/46/661727546.db2.gz SBUGSUSXUWUBMD-KRWDZBQOSA-N 1 0 313.357 3.239 20 5 DGBDRO CN(CC(C)(C)C[NH3+])c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001578438455 1191943476 /nfs/dbraw/zinc/94/34/76/1191943476.db2.gz MVQURCOISFPYRG-UHFFFAOYSA-N 1 0 305.300 3.035 20 5 DGBDRO [NH3+][C@H](C[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1)C1CCCC1 ZINC001580126099 1192008810 /nfs/dbraw/zinc/00/88/10/1192008810.db2.gz DXLUEUYMVOEKLX-UKRRQHHQSA-N 1 0 318.421 3.114 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001620582758 1192009908 /nfs/dbraw/zinc/00/99/08/1192009908.db2.gz QZZJHTVTEWCSOE-NWDGAFQWSA-N 1 0 300.362 3.073 20 5 DGBDRO [NH3+][C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C12CCC2 ZINC001580165554 1192011230 /nfs/dbraw/zinc/01/12/30/1192011230.db2.gz MCJYNISMNBTDNC-LSDHHAIUSA-N 1 0 324.384 3.339 20 5 DGBDRO O=[N+]([O-])c1c(SCC2CC[NH2+]CC2)ccc2ncccc21 ZINC001580875031 1192043379 /nfs/dbraw/zinc/04/33/79/1192043379.db2.gz UXJYTVUEVCNXEB-UHFFFAOYSA-N 1 0 303.387 3.235 20 5 DGBDRO COc1ccc(C)cc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001620920352 1192608733 /nfs/dbraw/zinc/60/87/33/1192608733.db2.gz LOSUXOUQNUGABQ-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC000351937470 1178053864 /nfs/dbraw/zinc/05/38/64/1178053864.db2.gz ODAJLYIJNNKNTN-YOEHRIQHSA-N 1 0 306.406 3.305 20 5 DGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001332958141 1178529339 /nfs/dbraw/zinc/52/93/39/1178529339.db2.gz HFZPLPYTBDYHGQ-CMPLNLGQSA-N 1 0 321.402 3.452 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC001333861617 1178686084 /nfs/dbraw/zinc/68/60/84/1178686084.db2.gz TWYWPSWJKVBGPO-GFCCVEGCSA-N 1 0 312.373 3.039 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001335132885 1178858828 /nfs/dbraw/zinc/85/88/28/1178858828.db2.gz YQENWXKUIATMDN-RRFJBIMHSA-N 1 0 303.406 3.070 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]Cc2cnc(C)s2)cc([N+](=O)[O-])c1 ZINC001335257523 1178878736 /nfs/dbraw/zinc/87/87/36/1178878736.db2.gz WHSYXTUKSYNZGJ-SECBINFHSA-N 1 0 307.375 3.219 20 5 DGBDRO COc1c(O)ccc(C[NH+]2C3CCCC2CCC3)c1[N+](=O)[O-] ZINC001335421429 1178908292 /nfs/dbraw/zinc/90/82/92/1178908292.db2.gz LXEVYSFBGOLMHG-UHFFFAOYSA-N 1 0 306.362 3.216 20 5 DGBDRO CC1(C)CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H]1[NH3+] ZINC001341713977 1179051636 /nfs/dbraw/zinc/05/16/36/1179051636.db2.gz WLQUXWINGMTTQZ-KRWDZBQOSA-N 1 0 319.408 3.197 20 5 DGBDRO C[C@@H](NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001341740182 1179055829 /nfs/dbraw/zinc/05/58/29/1179055829.db2.gz MSQVVBGGGNVJEH-DAXOMENPSA-N 1 0 319.405 3.070 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CC3(CCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC001343057867 1179230753 /nfs/dbraw/zinc/23/07/53/1179230753.db2.gz JVRZAHRINPUYFM-LLVKDONJSA-N 1 0 306.362 3.074 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)nc2c1 ZINC001343794343 1179332512 /nfs/dbraw/zinc/33/25/12/1179332512.db2.gz FXRVJKVPDLIGGZ-OLZOCXBDSA-N 1 0 314.389 3.483 20 5 DGBDRO COc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC001348110906 1179828971 /nfs/dbraw/zinc/82/89/71/1179828971.db2.gz PVJWGAOTCRKKFV-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1F ZINC001200801815 1180920776 /nfs/dbraw/zinc/92/07/76/1180920776.db2.gz BZDFFGXTLVCJNF-SJORKVTESA-N 1 0 318.348 3.336 20 5 DGBDRO Nc1cc(CCCCNc2ccc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC001472888445 1180936590 /nfs/dbraw/zinc/93/65/90/1180936590.db2.gz JSCRTKHBJAGYEU-UHFFFAOYSA-N 1 0 304.325 3.146 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC([N@H+](C)Cc3ccccc3)C2)c1 ZINC001458368980 1182518826 /nfs/dbraw/zinc/51/88/26/1182518826.db2.gz QTAZPCKCKIGQRZ-UHFFFAOYSA-N 1 0 311.385 3.224 20 5 DGBDRO CC(F)(F)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001459310220 1182579467 /nfs/dbraw/zinc/57/94/67/1182579467.db2.gz HUPNSNOGSLZIIH-UHFFFAOYSA-N 1 0 313.348 3.152 20 5 DGBDRO CCC[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001459745017 1182612297 /nfs/dbraw/zinc/61/22/97/1182612297.db2.gz VULNNQAELWSNCC-AWEZNQCLSA-N 1 0 322.405 3.494 20 5 DGBDRO CCCN(CC[NH+](CC)CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001459926496 1182629608 /nfs/dbraw/zinc/62/96/08/1182629608.db2.gz YWALMDXJUDMRGC-UHFFFAOYSA-N 1 0 311.401 3.288 20 5 DGBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001460125025 1182654477 /nfs/dbraw/zinc/65/44/77/1182654477.db2.gz MFWZEEOUQAILFE-CUOATXAZSA-N 1 0 312.797 3.397 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001460941904 1182742795 /nfs/dbraw/zinc/74/27/95/1182742795.db2.gz AKTMXRSKXHSGAD-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1c(C[NH2+]Cc2cccc3nsnc32)cccc1[N+](=O)[O-] ZINC001461432466 1182814686 /nfs/dbraw/zinc/81/46/86/1182814686.db2.gz HWVAIIUVCQJWIN-UHFFFAOYSA-N 1 0 314.370 3.198 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001462217352 1182925293 /nfs/dbraw/zinc/92/52/93/1182925293.db2.gz FTUFDVMCZRRAEG-AWEZNQCLSA-N 1 0 311.813 3.212 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001472665279 1183664266 /nfs/dbraw/zinc/66/42/66/1183664266.db2.gz LIFBPIYJFRDHGZ-UHFFFAOYSA-N 1 0 305.422 3.461 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC3(CCCCC3)CC2)cn1 ZINC001472767835 1183678128 /nfs/dbraw/zinc/67/81/28/1183678128.db2.gz RFRIFZIFJALMCN-UHFFFAOYSA-N 1 0 318.421 3.448 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001472797413 1183682452 /nfs/dbraw/zinc/68/24/52/1183682452.db2.gz BSUKYLWIPCIOGC-JTQLQIEISA-N 1 0 301.337 3.405 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001473475143 1183760445 /nfs/dbraw/zinc/76/04/45/1183760445.db2.gz LUHGXNWUHDZNJS-GFCCVEGCSA-N 1 0 311.813 3.164 20 5 DGBDRO CCC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001473540329 1183772248 /nfs/dbraw/zinc/77/22/48/1183772248.db2.gz GZKKFSHMEVSYLF-MRXNPFEDSA-N 1 0 319.405 3.482 20 5 DGBDRO C[C@@]1(Cc2ccc(Cl)c(F)c2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001473722662 1183792882 /nfs/dbraw/zinc/79/28/82/1183792882.db2.gz LGSWUJZZSIIJNI-AWEZNQCLSA-N 1 0 300.761 3.153 20 5 DGBDRO CCCC1(CCC)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001473768990 1183799832 /nfs/dbraw/zinc/79/98/32/1183799832.db2.gz LIRVQNVQVSCCKX-UHFFFAOYSA-N 1 0 321.421 3.191 20 5 DGBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001473782691 1183800913 /nfs/dbraw/zinc/80/09/13/1183800913.db2.gz ZPEDBWHATRWOQB-MRXNPFEDSA-N 1 0 306.406 3.417 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@]23CCCOC3)cc1 ZINC001473900354 1183822477 /nfs/dbraw/zinc/82/24/77/1183822477.db2.gz ABAVEWFODQGUCV-KRWDZBQOSA-N 1 0 304.390 3.172 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNc1cnn(-c2cc[nH+]cc2)c1 ZINC001473977357 1183841684 /nfs/dbraw/zinc/84/16/84/1183841684.db2.gz DXPRESBWZYWMSO-UHFFFAOYSA-N 1 0 323.356 3.404 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2nccc3ccccc32)cc1 ZINC001473981694 1183842550 /nfs/dbraw/zinc/84/25/50/1183842550.db2.gz NXWZGMDHVFVWNP-UHFFFAOYSA-N 1 0 323.352 3.312 20 5 DGBDRO Cc1ncc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC001474032124 1183855029 /nfs/dbraw/zinc/85/50/29/1183855029.db2.gz HAXKJTRREZQVBO-UHFFFAOYSA-N 1 0 305.403 3.472 20 5 DGBDRO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001474152303 1183874690 /nfs/dbraw/zinc/87/46/90/1183874690.db2.gz PCUXMYCLNFZJLX-NEPJUHHUSA-N 1 0 308.378 3.225 20 5 DGBDRO Cc1scc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1C ZINC001474499263 1183931712 /nfs/dbraw/zinc/93/17/12/1183931712.db2.gz OZDQBVZOMGUOJB-UHFFFAOYSA-N 1 0 305.403 3.238 20 5 DGBDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001474646723 1183954725 /nfs/dbraw/zinc/95/47/25/1183954725.db2.gz HIIHKZXZHPXRCS-DOTOQJQBSA-N 1 0 320.389 3.115 20 5 DGBDRO CCO[C@@H](CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC001655757277 1195960902 /nfs/dbraw/zinc/96/09/02/1195960902.db2.gz YLCLVGDEAVWMRP-HNNXBMFYSA-N 1 0 310.394 3.144 20 5 DGBDRO CN(CC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001611937050 1193443948 /nfs/dbraw/zinc/44/39/48/1193443948.db2.gz XJJYAYWAUWSKOK-UHFFFAOYSA-N 1 0 317.311 3.146 20 5 DGBDRO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001615497091 1193523128 /nfs/dbraw/zinc/52/31/28/1193523128.db2.gz STININYLLJNGTA-KBPBESRZSA-N 1 0 319.405 3.434 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(C)(C)C1 ZINC001617687888 1193578090 /nfs/dbraw/zinc/57/80/90/1193578090.db2.gz VNHCGRJSOWMLQE-OAHLLOKOSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC001559768529 1189240761 /nfs/dbraw/zinc/24/07/61/1189240761.db2.gz GTRQVJDYFXDQEU-FRRDWIJNSA-N 1 0 305.378 3.042 20 5 DGBDRO CO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC001559839893 1189247711 /nfs/dbraw/zinc/24/77/11/1189247711.db2.gz QSMMFVCPXDNCOW-HOTGVXAUSA-N 1 0 304.390 3.293 20 5 DGBDRO Cc1ccc(CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001559856780 1189251596 /nfs/dbraw/zinc/25/15/96/1189251596.db2.gz KRHUBJPLBLSVAQ-AWEZNQCLSA-N 1 0 317.433 3.209 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC001560319126 1189310943 /nfs/dbraw/zinc/31/09/43/1189310943.db2.gz QXQRKUQDRSVGGV-UHFFFAOYSA-N 1 0 308.284 3.171 20 5 DGBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC001560353200 1189315843 /nfs/dbraw/zinc/31/58/43/1189315843.db2.gz DIPBGARYXGNFMD-GFCCVEGCSA-N 1 0 304.321 3.291 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001560382632 1189321423 /nfs/dbraw/zinc/32/14/23/1189321423.db2.gz LEVNXSGNZXBADW-KGLIPLIRSA-N 1 0 308.426 3.376 20 5 DGBDRO [NH3+]CCN(C[C@@H]1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001560815937 1189387396 /nfs/dbraw/zinc/38/73/96/1189387396.db2.gz WLBBWLCGFMSGDM-HNNXBMFYSA-N 1 0 311.385 3.090 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccn1C(F)F ZINC001560825509 1189388213 /nfs/dbraw/zinc/38/82/13/1189388213.db2.gz NZBNKJPDXFBHMD-UHFFFAOYSA-N 1 0 309.316 3.466 20 5 DGBDRO C[C@@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC001576164128 1191534447 /nfs/dbraw/zinc/53/44/47/1191534447.db2.gz KRHUWJMQVCCXJG-NWDGAFQWSA-N 1 0 313.357 3.106 20 5 DGBDRO C[C@@H]([NH3+])c1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001576167350 1191536302 /nfs/dbraw/zinc/53/63/02/1191536302.db2.gz DHSUCVKLTTZBJS-SECBINFHSA-N 1 0 303.293 3.006 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC12CCCCC2 ZINC001618026277 1193721537 /nfs/dbraw/zinc/72/15/37/1193721537.db2.gz CBYHYDZGCZEVFV-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO CC(C)COCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001618029115 1193722678 /nfs/dbraw/zinc/72/26/78/1193722678.db2.gz YYHNMEFZYHAQSZ-INIZCTEOSA-N 1 0 306.406 3.447 20 5 DGBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001618387882 1193736774 /nfs/dbraw/zinc/73/67/74/1193736774.db2.gz OWQOPMKMVSMDJM-CXAGYDPISA-N 1 0 319.405 3.482 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001620669710 1193789217 /nfs/dbraw/zinc/78/92/17/1193789217.db2.gz YECGLULGISIUOH-NVXWUHKLSA-N 1 0 320.389 3.137 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC001621527528 1193854306 /nfs/dbraw/zinc/85/43/06/1193854306.db2.gz SVRWZAGDHFQCMP-ZBFHGGJFSA-N 1 0 318.417 3.465 20 5 DGBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)(C)C[NH+](C)C ZINC001621554623 1193857571 /nfs/dbraw/zinc/85/75/71/1193857571.db2.gz BUYDYJLEJJNWOA-UHFFFAOYSA-N 1 0 313.829 3.268 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC=CC[C@H]1C ZINC001621561473 1193858930 /nfs/dbraw/zinc/85/89/30/1193858930.db2.gz SFUNJYDXNQHEES-DVOMOZLQSA-N 1 0 317.389 3.256 20 5 DGBDRO CC[C@@H](NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001636456700 1194614355 /nfs/dbraw/zinc/61/43/55/1194614355.db2.gz JPHXTSNSQDLMCI-HEHGZKQESA-N 1 0 319.405 3.035 20 5 DGBDRO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[NH2+]1 ZINC001640326533 1194806642 /nfs/dbraw/zinc/80/66/42/1194806642.db2.gz NDJPZFZXGYEMPS-JTQLQIEISA-N 1 0 317.311 3.192 20 5 DGBDRO CCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC001641817403 1194872736 /nfs/dbraw/zinc/87/27/36/1194872736.db2.gz UILYUTNDQZMFQJ-LSDHHAIUSA-N 1 0 321.421 3.405 20 5 DGBDRO C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC001642072601 1194886437 /nfs/dbraw/zinc/88/64/37/1194886437.db2.gz JQXOLDCHKUWGIG-RYUDHWBXSA-N 1 0 317.393 3.146 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC001642693882 1194929795 /nfs/dbraw/zinc/92/97/95/1194929795.db2.gz WAVJURUHWCWZSV-LLVKDONJSA-N 1 0 313.348 3.453 20 5 DGBDRO Cc1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001642994473 1194958882 /nfs/dbraw/zinc/95/88/82/1194958882.db2.gz XGCSXZIERRRADL-OAHLLOKOSA-N 1 0 303.406 3.437 20 5 DGBDRO C[C@H]1[C@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001643203416 1195002584 /nfs/dbraw/zinc/00/25/84/1195002584.db2.gz SSAVHYXZMMUWLT-IONNQARKSA-N 1 0 304.177 3.406 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001643275194 1195010608 /nfs/dbraw/zinc/01/06/08/1195010608.db2.gz WZACCEBOGATNJC-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC001644394370 1195105473 /nfs/dbraw/zinc/10/54/73/1195105473.db2.gz AFKJIEFUOUOWLC-CQSZACIVSA-N 1 0 316.405 3.410 20 5 DGBDRO CCC1(CC)CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001648231391 1195285155 /nfs/dbraw/zinc/28/51/55/1195285155.db2.gz YSMBRUIBMSJBID-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1COC(C)(C)C ZINC001648269545 1195288277 /nfs/dbraw/zinc/28/82/77/1195288277.db2.gz BNPUZABQNLCXEW-HNNXBMFYSA-N 1 0 322.405 3.383 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC001650697794 1195372599 /nfs/dbraw/zinc/37/25/99/1195372599.db2.gz YIXZZSLGBVMJBK-LBPRGKRZSA-N 1 0 310.373 3.195 20 5 DGBDRO CCN(CCC[NH+](C)C)c1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001650975260 1195400184 /nfs/dbraw/zinc/40/01/84/1195400184.db2.gz HDUGYQXZJLIQFK-UHFFFAOYSA-N 1 0 315.801 3.035 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001651373521 1195451168 /nfs/dbraw/zinc/45/11/68/1195451168.db2.gz GFVMZFACXUKYNW-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC001651373622 1195451200 /nfs/dbraw/zinc/45/12/00/1195451200.db2.gz JKUVEPBRVJNWCX-WDEREUQCSA-N 1 0 313.348 3.405 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001651436971 1195462337 /nfs/dbraw/zinc/46/23/37/1195462337.db2.gz JEIVQXIGWLJDOB-OKILXGFUSA-N 1 0 320.389 3.113 20 5 DGBDRO CCOc1cc(NCc2ccc3c[nH+]cn3c2)ccc1[N+](=O)[O-] ZINC001651925800 1195523941 /nfs/dbraw/zinc/52/39/41/1195523941.db2.gz NOWQABCZBSWFBB-UHFFFAOYSA-N 1 0 312.329 3.253 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1(C)C ZINC001651972768 1195530599 /nfs/dbraw/zinc/53/05/99/1195530599.db2.gz MDBJFSWHMUQPJD-LSDHHAIUSA-N 1 0 318.421 3.009 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001652085211 1195545777 /nfs/dbraw/zinc/54/57/77/1195545777.db2.gz JHLJNVGBGKFLBY-HNNXBMFYSA-N 1 0 303.406 3.437 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC001653191361 1195696870 /nfs/dbraw/zinc/69/68/70/1195696870.db2.gz NDBTURADTZMENW-LBPRGKRZSA-N 1 0 318.377 3.232 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001653360581 1195713992 /nfs/dbraw/zinc/71/39/92/1195713992.db2.gz RWIUGIQGUSZOMH-UONOGXRCSA-N 1 0 319.405 3.434 20 5 DGBDRO O=[N+]([O-])CC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC001653740637 1195747240 /nfs/dbraw/zinc/74/72/40/1195747240.db2.gz IMVNTYGNYCUFFS-UHFFFAOYSA-N 1 0 313.195 3.085 20 5 DGBDRO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@H](C)C1 ZINC001653736470 1195747405 /nfs/dbraw/zinc/74/74/05/1195747405.db2.gz ULQUCCNXZLYFBB-GJZGRUSLSA-N 1 0 308.426 3.472 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC001653891735 1195757367 /nfs/dbraw/zinc/75/73/67/1195757367.db2.gz RLSLUXJYEYMNRA-HNNXBMFYSA-N 1 0 304.390 3.486 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC001653891736 1195757591 /nfs/dbraw/zinc/75/75/91/1195757591.db2.gz RLSLUXJYEYMNRA-OAHLLOKOSA-N 1 0 304.390 3.486 20 5 DGBDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001654744595 1195834853 /nfs/dbraw/zinc/83/48/53/1195834853.db2.gz ZOFZBYYDCJKKRW-HNNXBMFYSA-N 1 0 322.405 3.253 20 5 DGBDRO CC1(C)CCC[N@H+](CCNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001655420029 1195914557 /nfs/dbraw/zinc/91/45/57/1195914557.db2.gz VCJSLLCTKHIHOD-UHFFFAOYSA-N 1 0 313.348 3.407 20 5 DGBDRO C[C@H]1CSCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001655828019 1195967798 /nfs/dbraw/zinc/96/77/98/1195967798.db2.gz XPRGLXNLHDGVEO-ZDUSSCGKSA-N 1 0 310.419 3.191 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCCC23CCCCCC3)c1 ZINC001655894328 1195974938 /nfs/dbraw/zinc/97/49/38/1195974938.db2.gz HVDONARQNLCDFB-UHFFFAOYSA-N 1 0 306.410 3.370 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2CCCCN2C2CC2)cccc1[N+](=O)[O-] ZINC001656204700 1196017604 /nfs/dbraw/zinc/01/76/04/1196017604.db2.gz VDOKRAJKDHNROK-MRXNPFEDSA-N 1 0 303.406 3.010 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001656385163 1196035141 /nfs/dbraw/zinc/03/51/41/1196035141.db2.gz ZLMXRIKTLXTDCU-LBPRGKRZSA-N 1 0 316.361 3.409 20 5 DGBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001656899159 1196081052 /nfs/dbraw/zinc/08/10/52/1196081052.db2.gz YXJBFERSIPGXJY-GFCCVEGCSA-N 1 0 313.357 3.404 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC001657038834 1196095314 /nfs/dbraw/zinc/09/53/14/1196095314.db2.gz GVPKYNPTERJUCY-CQSZACIVSA-N 1 0 320.389 3.103 20 5 DGBDRO COc1ccc(C[NH2+]Cc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC001657137115 1196109925 /nfs/dbraw/zinc/10/99/25/1196109925.db2.gz TVQQTEZMRRIBQT-UHFFFAOYSA-N 1 0 304.321 3.341 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@](C)(O)CCC(C)C ZINC001657256410 1196124618 /nfs/dbraw/zinc/12/46/18/1196124618.db2.gz ORVXFUYITRDAFC-KRWDZBQOSA-N 1 0 308.422 3.488 20 5 DGBDRO C[C@H]1Cc2cc(C[NH2+]CCc3ccccc3[N+](=O)[O-])ccc2O1 ZINC001657887493 1196190603 /nfs/dbraw/zinc/19/06/03/1196190603.db2.gz OQRZWTWPHPKNIJ-ZDUSSCGKSA-N 1 0 312.369 3.251 20 5 DGBDRO COc1cc(C[NH2+]CC2CCC=CCC2)c([N+](=O)[O-])cc1O ZINC001658044508 1196206929 /nfs/dbraw/zinc/20/69/29/1196206929.db2.gz CJHOZQSUNISOCB-UHFFFAOYSA-N 1 0 306.362 3.145 20 5 DGBDRO C[C@H](C[NH2+]Cc1[nH]nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001658075961 1196209280 /nfs/dbraw/zinc/20/92/80/1196209280.db2.gz KGCGGDUYLJZCCW-GFCCVEGCSA-N 1 0 310.357 3.364 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC001658292702 1196236750 /nfs/dbraw/zinc/23/67/50/1196236750.db2.gz RHBBIAQGDGGXTR-CABCVRRESA-N 1 0 308.426 3.294 20 5 DGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001658354003 1196245351 /nfs/dbraw/zinc/24/53/51/1196245351.db2.gz BUHOLYLWZOKFAI-BBRMVZONSA-N 1 0 319.405 3.482 20 5 DGBDRO Cc1c(C[NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001658533500 1196271072 /nfs/dbraw/zinc/27/10/72/1196271072.db2.gz DCEJFOXLOHFZQC-HDJSIYSDSA-N 1 0 320.389 3.113 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc(O)c(F)c1 ZINC001658621598 1196281473 /nfs/dbraw/zinc/28/14/73/1196281473.db2.gz WLVNYVHHKIGYPA-UHFFFAOYSA-N 1 0 324.739 3.425 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC(Cc3ccsc3)C2)cc1 ZINC001658622937 1196281964 /nfs/dbraw/zinc/28/19/64/1196281964.db2.gz KJMRHHQCZPNWJS-UHFFFAOYSA-N 1 0 302.399 3.373 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cccc2c[nH]nc21)c1ccccc1[N+](=O)[O-] ZINC001658683216 1196288523 /nfs/dbraw/zinc/28/85/23/1196288523.db2.gz AXTIPUTZZAVVIV-LBPRGKRZSA-N 1 0 310.357 3.364 20 5 DGBDRO COc1cc(CN[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC001658703310 1196290516 /nfs/dbraw/zinc/29/05/16/1196290516.db2.gz SOUYQZMREYOAIC-SNVBAGLBSA-N 1 0 320.320 3.299 20 5 DGBDRO CC(C)(C)OC(=O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001658703572 1196290566 /nfs/dbraw/zinc/29/05/66/1196290566.db2.gz YHTPUKHIQLNBCQ-AWEZNQCLSA-N 1 0 320.389 3.116 20 5 DGBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001658780499 1196299361 /nfs/dbraw/zinc/29/93/61/1196299361.db2.gz SMKJTHIPEYSZFT-DBLGQFABSA-N 1 0 320.389 3.175 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC001659104071 1196345772 /nfs/dbraw/zinc/34/57/72/1196345772.db2.gz KUXHZMKXZZOJFF-NWDGAFQWSA-N 1 0 308.378 3.320 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H]2C[C@H]2CC(C)(C)C)c1[N+](=O)[O-] ZINC001659604440 1196398796 /nfs/dbraw/zinc/39/87/96/1196398796.db2.gz NNFPFFGVPYBFLU-NWDGAFQWSA-N 1 0 308.378 3.223 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC001659621176 1196400089 /nfs/dbraw/zinc/40/00/89/1196400089.db2.gz RMVHHWSYKSDQMS-CALCHBBNSA-N 1 0 304.390 3.070 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC2(C)CCCCC2)c1[N+](=O)[O-] ZINC001659930383 1196430386 /nfs/dbraw/zinc/43/03/86/1196430386.db2.gz YCRIRNNPSWHBGE-UHFFFAOYSA-N 1 0 308.378 3.369 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001660030778 1196439400 /nfs/dbraw/zinc/43/94/00/1196439400.db2.gz DPXAXHZPVHTRCR-UMVBOHGHSA-N 1 0 320.389 3.225 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC001660238844 1196460957 /nfs/dbraw/zinc/46/09/57/1196460957.db2.gz FSENHADKAAUUQM-VXGBXAGGSA-N 1 0 322.405 3.471 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC001660695338 1196512896 /nfs/dbraw/zinc/51/28/96/1196512896.db2.gz IXGITRAZEGIUNT-WBVHZDCISA-N 1 0 316.332 3.199 20 5 DGBDRO CCN1CCCC[C@H]1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001661416408 1196603724 /nfs/dbraw/zinc/60/37/24/1196603724.db2.gz OHVDKYBORCYCPU-HNNXBMFYSA-N 1 0 305.422 3.176 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](CCO)CC(C)C ZINC001661558034 1196619634 /nfs/dbraw/zinc/61/96/34/1196619634.db2.gz MYYZWYVYAZDSOD-HNNXBMFYSA-N 1 0 308.422 3.346 20 5 DGBDRO Cc1c(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC001661991710 1196673120 /nfs/dbraw/zinc/67/31/20/1196673120.db2.gz OLCHDKYCKYOEDV-MRXNPFEDSA-N 1 0 319.449 3.361 20 5 DGBDRO CN(C)c1ccc(F)cc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001662116087 1196682810 /nfs/dbraw/zinc/68/28/10/1196682810.db2.gz DJBCOOYLRAOIMO-UHFFFAOYSA-N 1 0 317.364 3.132 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cnc3ccccc3c2)c1 ZINC001663219858 1196814486 /nfs/dbraw/zinc/81/44/86/1196814486.db2.gz XNLPYYASPGNPFN-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309558440 1199707862 /nfs/dbraw/zinc/70/78/62/1199707862.db2.gz OCLVCSHVBMXEFL-CQSZACIVSA-N 1 0 316.332 3.387 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC001169541977 1081587061 /nfs/dbraw/zinc/58/70/61/1081587061.db2.gz WTWISJZUPPPRAV-CQSZACIVSA-N 1 0 320.437 3.392 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCC[C@H]1CCC[NH2+]1 ZINC001169564231 1081593350 /nfs/dbraw/zinc/59/33/50/1081593350.db2.gz MIDYGJNFSPXXJU-SNVBAGLBSA-N 1 0 303.284 3.168 20 5 DGBDRO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)c1ccc(O)cc1 ZINC001169546166 1081599195 /nfs/dbraw/zinc/59/91/95/1081599195.db2.gz IEQOQYKSRGCZCW-NSHDSACASA-N 1 0 313.357 3.119 20 5 DGBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001170272527 1082332960 /nfs/dbraw/zinc/33/29/60/1082332960.db2.gz INCFLUIJHVZNPR-CQSZACIVSA-N 1 0 311.813 3.164 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC001170294895 1082336920 /nfs/dbraw/zinc/33/69/20/1082336920.db2.gz DWPXROBKKCVGIQ-ZDUSSCGKSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC001170294577 1082337192 /nfs/dbraw/zinc/33/71/92/1082337192.db2.gz BFMIPCUQBZLSIF-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC001170299749 1082338342 /nfs/dbraw/zinc/33/83/42/1082338342.db2.gz WBVXDUSWQAQLET-LMWSTFAQSA-N 1 0 310.369 3.405 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170299732 1082338715 /nfs/dbraw/zinc/33/87/15/1082338715.db2.gz VQNUONBZGJWYRE-MRVWCRGKSA-N 1 0 310.369 3.405 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC001170329014 1082347484 /nfs/dbraw/zinc/34/74/84/1082347484.db2.gz NDEKYROMCZOLBP-AEGPPILISA-N 1 0 322.405 3.082 20 5 DGBDRO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170355880 1082350676 /nfs/dbraw/zinc/35/06/76/1082350676.db2.gz RYTUIIASEWTMCG-ZENOOKHLSA-N 1 0 322.405 3.034 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC001170345234 1082356742 /nfs/dbraw/zinc/35/67/42/1082356742.db2.gz IJAWLKKEPAWVBQ-STQMWFEESA-N 1 0 310.369 3.216 20 5 DGBDRO C[C@@H](Nc1nc2ccccc2c2ccccc21)[C@H]1C[NH2+]CCO1 ZINC001170573896 1082693343 /nfs/dbraw/zinc/69/33/43/1082693343.db2.gz LIYREZQWYZIZKR-FZKQIMNGSA-N 1 0 307.397 3.177 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CCCC[NH2+]C1 ZINC001217973577 1082977150 /nfs/dbraw/zinc/97/71/50/1082977150.db2.gz XVAVBTOKBJTAJL-MRVPVSSYSA-N 1 0 305.161 3.423 20 5 DGBDRO C[C@H]1C[C@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC001218052841 1083022704 /nfs/dbraw/zinc/02/27/04/1083022704.db2.gz DWXRPRSUKLGZCM-IONNQARKSA-N 1 0 305.161 3.421 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1CC[C@H](C(=O)OC)CC1 ZINC001167828919 1084130882 /nfs/dbraw/zinc/13/08/82/1084130882.db2.gz LFGIKOIZDMSQJV-JCNLHEQBSA-N 1 0 319.469 3.427 20 5 DGBDRO O=[N+]([O-])c1cc(NCC[NH+]2CCSCC2)cc2ccccc21 ZINC001167839389 1084162979 /nfs/dbraw/zinc/16/29/79/1084162979.db2.gz MWNHEOPZSXXINH-UHFFFAOYSA-N 1 0 317.414 3.209 20 5 DGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001185018178 1084313276 /nfs/dbraw/zinc/31/32/76/1084313276.db2.gz XRUCAZRDZKLGKS-MNOVXSKESA-N 1 0 313.348 3.405 20 5 DGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001186368653 1084635992 /nfs/dbraw/zinc/63/59/92/1084635992.db2.gz VCGMAALJOULTRC-LBPRGKRZSA-N 1 0 312.801 3.176 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC001186873541 1084712256 /nfs/dbraw/zinc/71/22/56/1084712256.db2.gz YNJFUVSIXAVAMG-UONOGXRCSA-N 1 0 311.332 3.302 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001187124206 1084760586 /nfs/dbraw/zinc/76/05/86/1084760586.db2.gz YIFSPMAWHFJWIR-UHFFFAOYSA-N 1 0 301.337 3.405 20 5 DGBDRO CC(=O)c1ccc(Br)cc1O[C@H](C)C[N+](C)(C)C ZINC001225391056 1084866634 /nfs/dbraw/zinc/86/66/34/1084866634.db2.gz PWCCHUROJKDQRG-SNVBAGLBSA-N 1 0 315.231 3.125 20 5 DGBDRO CCOc1cc([N+](=O)[O-])ccc1N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167992654 1086057833 /nfs/dbraw/zinc/05/78/33/1086057833.db2.gz SERIDWRHWVRGBE-UHFFFAOYSA-N 1 0 318.308 3.164 20 5 DGBDRO CCn1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC001120349352 1087571437 /nfs/dbraw/zinc/57/14/37/1087571437.db2.gz XSLHEWGLADDGDC-LBPRGKRZSA-N 1 0 302.378 3.279 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001158757499 1088010721 /nfs/dbraw/zinc/01/07/21/1088010721.db2.gz OWXQHVBZFVUESN-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO Nc1c2cccnc2c2ncccc2c1NC=C1CC[NH2+]CC1 ZINC001159736670 1088467864 /nfs/dbraw/zinc/46/78/64/1088467864.db2.gz PHOGZYMNFNSNCN-UHFFFAOYSA-N 1 0 305.385 3.044 20 5 DGBDRO [NH3+][C@@H]1CCCN(c2ccc(Nc3ccccc3[N+](=O)[O-])cc2)C1 ZINC001159982981 1088588649 /nfs/dbraw/zinc/58/86/49/1088588649.db2.gz XZNCDUWLJZXVGO-CYBMUJFWSA-N 1 0 312.373 3.266 20 5 DGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncc([N+](=O)[O-])cc3C)c2c1 ZINC001160005046 1088597641 /nfs/dbraw/zinc/59/76/41/1088597641.db2.gz XOBOOAZQLYYRBU-CYBMUJFWSA-N 1 0 324.384 3.440 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)cc1 ZINC001160127710 1088654853 /nfs/dbraw/zinc/65/48/53/1088654853.db2.gz AOLGVUBGPNKOHE-CYBMUJFWSA-N 1 0 317.320 3.218 20 5 DGBDRO Cc1ccc(Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)cc1[N+](=O)[O-] ZINC001160401276 1088787046 /nfs/dbraw/zinc/78/70/46/1088787046.db2.gz YRZILDULCHDEIZ-MLGOLLRUSA-N 1 0 311.341 3.095 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001154983676 1088871420 /nfs/dbraw/zinc/87/14/20/1088871420.db2.gz ALVQZIVNFJZCKS-UWVGGRQHSA-N 1 0 320.780 3.478 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001154984174 1088873365 /nfs/dbraw/zinc/87/33/65/1088873365.db2.gz DMKCOCUPPXFLOS-ZJUUUORDSA-N 1 0 320.780 3.478 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001154990966 1088880094 /nfs/dbraw/zinc/88/00/94/1088880094.db2.gz ZRRBAGSKWLTCLK-VHSXEESVSA-N 1 0 320.780 3.478 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001155025983 1088902746 /nfs/dbraw/zinc/90/27/46/1088902746.db2.gz RGXYZNUOAVEFAR-JSGCOSHPSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1C[C@@H](CNc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C[NH2+]1 ZINC001155101783 1088946534 /nfs/dbraw/zinc/94/65/34/1088946534.db2.gz JIHHOBBJJLZMGV-NXEZZACHSA-N 1 0 320.780 3.206 20 5 DGBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001155248672 1089025673 /nfs/dbraw/zinc/02/56/73/1089025673.db2.gz XELCNLWIEAWFKN-MRVPVSSYSA-N 1 0 317.736 3.002 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CCNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001160963289 1089048596 /nfs/dbraw/zinc/04/85/96/1089048596.db2.gz DPIKTPCQDKPTMB-MRVPVSSYSA-N 1 0 319.192 3.193 20 5 DGBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001155550275 1089157726 /nfs/dbraw/zinc/15/77/26/1089157726.db2.gz SBLCJLCTCVOYAY-ABAIWWIYSA-N 1 0 318.764 3.158 20 5 DGBDRO Cc1cc(Cl)nc(N(CC[NH3+])c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001161877853 1089450661 /nfs/dbraw/zinc/45/06/61/1089450661.db2.gz UKYFKBIRSGGISK-UHFFFAOYSA-N 1 0 324.743 3.188 20 5 DGBDRO [NH3+]CCN(c1cccc2ccccc21)c1ncccc1[N+](=O)[O-] ZINC001162005434 1089521395 /nfs/dbraw/zinc/52/13/95/1089521395.db2.gz LMGSCGVAIHBPQZ-UHFFFAOYSA-N 1 0 308.341 3.240 20 5 DGBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1nc2ccccc2c2ccccc21 ZINC001162102992 1089554301 /nfs/dbraw/zinc/55/43/01/1089554301.db2.gz VPPNBOMQJJRSBJ-HNNXBMFYSA-N 1 0 320.440 3.094 20 5 DGBDRO C[N@@H+]1CCC[C@](C)(Nc2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001162341839 1089683163 /nfs/dbraw/zinc/68/31/63/1089683163.db2.gz PFPLREWRDRQFMX-INIZCTEOSA-N 1 0 300.362 3.039 20 5 DGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001156771630 1089687782 /nfs/dbraw/zinc/68/77/82/1089687782.db2.gz XSNJKUXFOQXYMV-UHFFFAOYSA-N 1 0 312.801 3.128 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001162454874 1089740026 /nfs/dbraw/zinc/74/00/26/1089740026.db2.gz AUGDXNDZDCVZFC-WCQYABFASA-N 1 0 302.378 3.124 20 5 DGBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001162459168 1089743808 /nfs/dbraw/zinc/74/38/08/1089743808.db2.gz YBISVFDIBUJCOI-CHWSQXEVSA-N 1 0 307.394 3.041 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001162467020 1089749569 /nfs/dbraw/zinc/74/95/69/1089749569.db2.gz OSWIFISOTLSOEF-QWHCGFSZSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001156928307 1089750021 /nfs/dbraw/zinc/75/00/21/1089750021.db2.gz INZYXEDQVVQULD-LLVKDONJSA-N 1 0 312.801 3.320 20 5 DGBDRO [NH3+]Cc1ccnn1-c1nc2c(ccc3ccccc32)nc1Cl ZINC001162592409 1089816514 /nfs/dbraw/zinc/81/65/14/1089816514.db2.gz DAJRSAOQDKWARC-UHFFFAOYSA-N 1 0 309.760 3.081 20 5 DGBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001162765372 1089938640 /nfs/dbraw/zinc/93/86/40/1089938640.db2.gz FIHJSUWREWYTSO-QMMMGPOBSA-N 1 0 318.283 3.232 20 5 DGBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001162765370 1089938711 /nfs/dbraw/zinc/93/87/11/1089938711.db2.gz FIHJSUWREWYTSO-MRVPVSSYSA-N 1 0 318.283 3.232 20 5 DGBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1c2ccccc2nc1[C@@H](C)[NH3+] ZINC001162778523 1089950390 /nfs/dbraw/zinc/95/03/90/1089950390.db2.gz LNLAKMOGHDQMKU-SNVBAGLBSA-N 1 0 314.320 3.401 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162989024 1090047483 /nfs/dbraw/zinc/04/74/83/1090047483.db2.gz ATTRQRXIOWAXPI-DLBZAZTESA-N 1 0 319.405 3.387 20 5 DGBDRO [NH3+]CC[C@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)c2ccccc21 ZINC001157743424 1090094475 /nfs/dbraw/zinc/09/44/75/1090094475.db2.gz GLZBXRQTHLBFCO-JTQLQIEISA-N 1 0 318.764 3.227 20 5 DGBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163230017 1090126681 /nfs/dbraw/zinc/12/66/81/1090126681.db2.gz SXPOGAYVMPXIIJ-CYBMUJFWSA-N 1 0 319.386 3.311 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163269170 1090135418 /nfs/dbraw/zinc/13/54/18/1090135418.db2.gz XRJSTJAEIKYYMZ-RDBSUJKOSA-N 1 0 319.405 3.100 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001157941968 1090155021 /nfs/dbraw/zinc/15/50/21/1090155021.db2.gz IRWOAXCDLGGJPX-UHFFFAOYSA-N 1 0 321.208 3.296 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@@H](C)C1 ZINC001163364583 1090165506 /nfs/dbraw/zinc/16/55/06/1090165506.db2.gz DRMGWNZMFIAAPU-WCQYABFASA-N 1 0 317.393 3.002 20 5 DGBDRO CN(CCC[NH+](C)C)c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001163597327 1090217859 /nfs/dbraw/zinc/21/78/59/1090217859.db2.gz DTRLDCLJSMPFFB-UHFFFAOYSA-N 1 0 322.796 3.184 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N(CCC[NH3+])C(C)C ZINC001164129055 1090350440 /nfs/dbraw/zinc/35/04/40/1090350440.db2.gz VVLIWXCFIPVRRZ-UHFFFAOYSA-N 1 0 309.410 3.254 20 5 DGBDRO [NH3+]CC[C@@H]1CN(c2ccc3nc[nH]c3c2[N+](=O)[O-])c2ccccc21 ZINC001168548372 1090532896 /nfs/dbraw/zinc/53/28/96/1090532896.db2.gz MBAPDPMVQQGVGA-LLVKDONJSA-N 1 0 323.356 3.055 20 5 DGBDRO C[NH2+]Cc1cccc(Nc2nc(Cl)cc(C)c2[N+](=O)[O-])c1 ZINC001167032686 1090698567 /nfs/dbraw/zinc/69/85/67/1090698567.db2.gz JIGVCLFSLRWQGG-UHFFFAOYSA-N 1 0 306.753 3.415 20 5 DGBDRO C[C@H](C[NH2+]Cc1ccc2[nH]cnc2c1)c1ccccc1[N+](=O)[O-] ZINC001203863954 1090822591 /nfs/dbraw/zinc/82/25/91/1090822591.db2.gz JKQJXOJZOUDESB-GFCCVEGCSA-N 1 0 310.357 3.364 20 5 DGBDRO CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001128450173 1090965650 /nfs/dbraw/zinc/96/56/50/1090965650.db2.gz GGCYVBQDOBPCBI-MRXNPFEDSA-N 1 0 319.405 3.211 20 5 DGBDRO C[NH+](C)CCOc1ccc(Nc2cccc([N+](=O)[O-])c2)cc1 ZINC001204457117 1090974105 /nfs/dbraw/zinc/97/41/05/1090974105.db2.gz SJXQXNIQLLMYIY-UHFFFAOYSA-N 1 0 301.346 3.279 20 5 DGBDRO [NH3+][C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001205117339 1091106666 /nfs/dbraw/zinc/10/66/66/1091106666.db2.gz OHJPMPBQGBNNCB-INIZCTEOSA-N 1 0 306.413 3.096 20 5 DGBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001334955795 1091265510 /nfs/dbraw/zinc/26/55/10/1091265510.db2.gz IDILAYFIDHTVDO-QMTHXVAHSA-N 1 0 300.786 3.135 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H](C(C)C)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001205790049 1091350292 /nfs/dbraw/zinc/35/02/92/1091350292.db2.gz ZHAQZCBHDTYWDL-DZGCQCFKSA-N 1 0 322.405 3.421 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001207862352 1092123026 /nfs/dbraw/zinc/12/30/26/1092123026.db2.gz WIDUYNMHEGTJNX-QGHZAEEISA-N 1 0 316.401 3.216 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N(CC[NH3+])c1cccnc1 ZINC001168835738 1092390406 /nfs/dbraw/zinc/39/04/06/1092390406.db2.gz FAHBGTRJRAHSMQ-UHFFFAOYSA-N 1 0 300.362 3.012 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC001168977058 1092456621 /nfs/dbraw/zinc/45/66/21/1092456621.db2.gz HLDJNWPXKCCQBC-KYJSFNMBSA-N 1 0 311.385 3.206 20 5 DGBDRO [NH3+][C@H]1CCc2c(c3ccccc3n2[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168976317 1092457256 /nfs/dbraw/zinc/45/72/56/1092457256.db2.gz CRIUYCAPOPROCJ-IHRRRGAJSA-N 1 0 313.401 3.075 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCCCCCCCCO)C1 ZINC001168980397 1092458591 /nfs/dbraw/zinc/45/85/91/1092458591.db2.gz DFHBAEQHIYPHSC-HZPDHXFCSA-N 1 0 300.443 3.135 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC001168955757 1092462238 /nfs/dbraw/zinc/46/22/38/1092462238.db2.gz CBHXEOGZWPXIHZ-AAEUAGOBSA-N 1 0 302.296 3.240 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC001168984965 1092462518 /nfs/dbraw/zinc/46/25/18/1092462518.db2.gz BPOJZBZIEDXTAN-ZWNOBZJWSA-N 1 0 300.761 3.057 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nccs3)cc2)C1 ZINC001168986196 1092463015 /nfs/dbraw/zinc/46/30/15/1092463015.db2.gz WXBOHYQOUACAFW-UKRRQHHQSA-N 1 0 317.414 3.345 20 5 DGBDRO Cc1cc(C)cc(OC[C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168962815 1092466514 /nfs/dbraw/zinc/46/65/14/1092466514.db2.gz MZXBBQBZDZSCPY-JYJNAYRXSA-N 1 0 306.406 3.106 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCOc2cccc(Cl)c2)C1 ZINC001168966920 1092468995 /nfs/dbraw/zinc/46/89/95/1092468995.db2.gz MFDSYACIMDNJOY-TZMCWYRMSA-N 1 0 312.797 3.144 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC001168967568 1092470774 /nfs/dbraw/zinc/47/07/74/1092470774.db2.gz QWRAAFPNGKRDRP-SKDRFNHKSA-N 1 0 320.286 3.380 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2F)C1 ZINC001168971394 1092470836 /nfs/dbraw/zinc/47/08/36/1092470836.db2.gz KBZKGMXVPQTJRB-WPRPVWTQSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001168975722 1092474270 /nfs/dbraw/zinc/47/42/70/1092474270.db2.gz WZKJQOPPTILOHV-BXKDBHETSA-N 1 0 320.286 3.380 20 5 DGBDRO COc1ccccc1CC1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992505 1092476539 /nfs/dbraw/zinc/47/65/39/1092476539.db2.gz KFLAXTPGZQHRQD-ZBFHGGJFSA-N 1 0 318.417 3.053 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)C1 ZINC001168993573 1092477198 /nfs/dbraw/zinc/47/71/98/1092477198.db2.gz NHKIHSSFQPNHGE-GOEBONIOSA-N 1 0 306.381 3.326 20 5 DGBDRO COCCC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998526 1092479630 /nfs/dbraw/zinc/47/96/30/1092479630.db2.gz ODMNEDWHRZYNMI-STQMWFEESA-N 1 0 320.380 3.006 20 5 DGBDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ccccc1F ZINC001168999095 1092481259 /nfs/dbraw/zinc/48/12/59/1092481259.db2.gz RXINPKXKPIUEDB-UKRRQHHQSA-N 1 0 308.397 3.429 20 5 DGBDRO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005920 1092482668 /nfs/dbraw/zinc/48/26/68/1092482668.db2.gz DHVRFRFHCTWKBR-PVAVHDDUSA-N 1 0 320.433 3.394 20 5 DGBDRO COc1ccccc1[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC1 ZINC001169003576 1092483956 /nfs/dbraw/zinc/48/39/56/1092483956.db2.gz OGTPVVQWAMOWBN-IFIJOSMWSA-N 1 0 304.390 3.181 20 5 DGBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986703 1092489733 /nfs/dbraw/zinc/48/97/33/1092489733.db2.gz YPYYKIPNVWBFHD-GZBFAFLISA-N 1 0 314.389 3.188 20 5 DGBDRO Cc1ccc(Cl)c(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1F ZINC001168989834 1092491982 /nfs/dbraw/zinc/49/19/82/1092491982.db2.gz WXCPPFGTCBRVMI-NWDGAFQWSA-N 1 0 314.788 3.365 20 5 DGBDRO Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169029705 1092494272 /nfs/dbraw/zinc/49/42/72/1092494272.db2.gz VJDSIVPTOCVSDM-GVDBMIGSSA-N 1 0 318.417 3.284 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C1 ZINC001169030373 1092494635 /nfs/dbraw/zinc/49/46/35/1092494635.db2.gz ZBYSSOZMEWVVSJ-GUYCJALGSA-N 1 0 306.381 3.451 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)C1 ZINC001169027892 1092494964 /nfs/dbraw/zinc/49/49/64/1092494964.db2.gz RMZOOGJVWFYKIW-KURKYZTESA-N 1 0 302.418 3.387 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2c3ccc(F)cc3c3c2C[NH2+]CC3)C1 ZINC001169045589 1092495922 /nfs/dbraw/zinc/49/59/22/1092495922.db2.gz JMDSLLMNFITODF-YPMHNXCESA-N 1 0 317.364 3.044 20 5 DGBDRO Cc1cccc(OC2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169037064 1092498519 /nfs/dbraw/zinc/49/85/19/1092498519.db2.gz INRLAFRDMUESJR-HZPDHXFCSA-N 1 0 318.417 3.284 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001169037468 1092499077 /nfs/dbraw/zinc/49/90/77/1092499077.db2.gz RYEGCGQESFHRTB-AEFFLSMTSA-N 1 0 318.417 3.113 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001169037471 1092499134 /nfs/dbraw/zinc/49/91/34/1092499134.db2.gz RYEGCGQESFHRTB-FUHWJXTLSA-N 1 0 318.417 3.113 20 5 DGBDRO Cc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169025021 1092505124 /nfs/dbraw/zinc/50/51/24/1092505124.db2.gz IMMOQLVMTRPFEN-JFIYKMOQSA-N 1 0 318.417 3.284 20 5 DGBDRO COc1ccc(C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169026596 1092508022 /nfs/dbraw/zinc/50/80/22/1092508022.db2.gz NCJRFQQBZOXJFX-RHSMWYFYSA-N 1 0 318.417 3.320 20 5 DGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)CC ZINC001142719349 1092537777 /nfs/dbraw/zinc/53/77/77/1092537777.db2.gz JSDFYTBONLYBIO-UHFFFAOYSA-N 1 0 309.369 3.305 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001169141185 1092555168 /nfs/dbraw/zinc/55/51/68/1092555168.db2.gz AWIIOMUDGNCRDO-BLLLJJGKSA-N 1 0 306.410 3.254 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1Nc1c[nH+]ccc1N1CCCC1 ZINC001210444771 1093168282 /nfs/dbraw/zinc/16/82/82/1093168282.db2.gz OZTSAWLBFVHOEL-UHFFFAOYSA-N 1 0 314.345 3.342 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001120072404 1094372539 /nfs/dbraw/zinc/37/25/39/1094372539.db2.gz KBKKSSSVMJBBGB-SOUVJXGZSA-N 1 0 303.406 3.070 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001120511265 1094445883 /nfs/dbraw/zinc/44/58/83/1094445883.db2.gz JBHZKLJEJQZZLQ-MEBBXXQBSA-N 1 0 321.764 3.027 20 5 DGBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001120558284 1094455369 /nfs/dbraw/zinc/45/53/69/1094455369.db2.gz DHGDIUWOCBWSTD-SJORKVTESA-N 1 0 315.373 3.010 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C[C@@H]2F)cc1C(F)(F)F ZINC001217944163 1094522944 /nfs/dbraw/zinc/52/29/44/1094522944.db2.gz AMVRJHRMTULMLR-CMPLNLGQSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C[C@@H]2F)c2ccccc21 ZINC001217944408 1094523955 /nfs/dbraw/zinc/52/39/55/1094523955.db2.gz HZTAAWIHYSDBFF-BBRMVZONSA-N 1 0 304.321 3.217 20 5 DGBDRO F[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001217952322 1094527540 /nfs/dbraw/zinc/52/75/40/1094527540.db2.gz UUKRHXNPBOKWNN-FZKQIMNGSA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217978919 1094539107 /nfs/dbraw/zinc/53/91/07/1094539107.db2.gz FNKDYPNKKBJBEY-KOLCDFICSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2C[NH2+]CCC[C@@H]2F)c(Cl)c1 ZINC001217980725 1094540573 /nfs/dbraw/zinc/54/05/73/1094540573.db2.gz MOJMZAVAILERDA-QWRGUYRKSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC[C@@H]2F)cc(C(F)(F)F)c1 ZINC001217980825 1094540650 /nfs/dbraw/zinc/54/06/50/1094540650.db2.gz MVTNYAAVXXDVMG-RYUDHWBXSA-N 1 0 322.258 3.083 20 5 DGBDRO F[C@H]1CCC[NH2+]C[C@H]1Oc1ccnc2c1ccc1cccnc12 ZINC001217984866 1094542416 /nfs/dbraw/zinc/54/24/16/1094542416.db2.gz NVHYDPNXUHNIDC-GOEBONIOSA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]CC2)c(Cl)cc1Cl ZINC001217994513 1094548956 /nfs/dbraw/zinc/54/89/56/1094548956.db2.gz JJKYCUQGYGIFSE-QMMMGPOBSA-N 1 0 305.161 3.423 20 5 DGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]C[C@@H]2F)c1Cl ZINC001217997764 1094550876 /nfs/dbraw/zinc/55/08/76/1094550876.db2.gz FMDHAUVFOUEIJI-WCBMZHEXSA-N 1 0 323.151 3.153 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]CC[C@H]2F)c(Cl)cc1Cl ZINC001218012981 1094558372 /nfs/dbraw/zinc/55/83/72/1094558372.db2.gz NOTRGDHCFZBTSF-KOLCDFICSA-N 1 0 323.151 3.371 20 5 DGBDRO F[C@@H]1CC[NH2+]CC[C@@H]1Oc1cccc2nc3ccccc3nc21 ZINC001218015184 1094560791 /nfs/dbraw/zinc/56/07/91/1094560791.db2.gz JVNJMMSTPMWVNQ-WBMJQRKESA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]CC[C@H]2F)cc1C(F)(F)F ZINC001218014736 1094560916 /nfs/dbraw/zinc/56/09/16/1094560916.db2.gz YRABURHCMWYMAP-ZYHUDNBSSA-N 1 0 322.258 3.083 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001218027960 1094567256 /nfs/dbraw/zinc/56/72/56/1094567256.db2.gz RMZOWIMDGASDPP-UFBFGSQYSA-N 1 0 302.733 3.154 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3CC[NH2+]C[C@@H]3F)cc2)cc1 ZINC001218064561 1094582479 /nfs/dbraw/zinc/58/24/79/1094582479.db2.gz MOFBVWHJYOTXNF-IRXDYDNUSA-N 1 0 316.332 3.341 20 5 DGBDRO c1ccc2c(c1)ccc1c2ccnc1OC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001218083654 1094591580 /nfs/dbraw/zinc/59/15/80/1094591580.db2.gz PPHFJARKNZWKEB-GDIGMMSISA-N 1 0 320.392 3.001 20 5 DGBDRO Cc1cc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c(C)c(C)c1[N+](=O)[O-] ZINC001218099308 1094603350 /nfs/dbraw/zinc/60/33/50/1094603350.db2.gz UEOKZIUPTWLSRQ-WBVHZDCISA-N 1 0 304.390 3.431 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1OC1CC2(C1)CC[NH2+]CC2 ZINC001218104141 1094606371 /nfs/dbraw/zinc/60/63/71/1094606371.db2.gz VWFCZEUOQKELAR-UHFFFAOYSA-N 1 0 314.744 3.298 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[C@@]23CC[NH2+]C3)cc1Cl ZINC001218115898 1094613579 /nfs/dbraw/zinc/61/35/79/1094613579.db2.gz HLCBMNDWOCPRJD-OLZOCXBDSA-N 1 0 317.172 3.423 20 5 DGBDRO c1ccc2nc3cc(O[C@H]4CC[C@@]45CC[NH2+]C5)ccc3nc2c1 ZINC001218115310 1094613743 /nfs/dbraw/zinc/61/37/43/1094613743.db2.gz FYHCBROGYYCZNY-OALUTQOASA-N 1 0 305.381 3.304 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3CC[C@]34CC[NH2+]C4)nc2c1 ZINC001218117359 1094614944 /nfs/dbraw/zinc/61/49/44/1094614944.db2.gz MVKQCXKIVRDLFI-IEBWSBKVSA-N 1 0 305.381 3.304 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218119388 1094618526 /nfs/dbraw/zinc/61/85/26/1094618526.db2.gz XXANKMYTUXKXNU-STQMWFEESA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CCC12C[NH2+]C2 ZINC001218241737 1094674930 /nfs/dbraw/zinc/67/49/30/1094674930.db2.gz LNKHNWHSSQJGGS-SNVBAGLBSA-N 1 0 303.145 3.032 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)c(Cl)cc1Cl ZINC001218247956 1094679232 /nfs/dbraw/zinc/67/92/32/1094679232.db2.gz RRHLYMMGNLUEJY-SOCHQFKDSA-N 1 0 317.172 3.421 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1C[C@H]2CC[NH2+][C@H]2C1 ZINC001218249702 1094681008 /nfs/dbraw/zinc/68/10/08/1094681008.db2.gz YXVKXFOJDAXUOK-XLDPMVHQSA-N 1 0 317.172 3.421 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@H]3C[NH2+]CC[C@H]3F)ccc12 ZINC001218319486 1094713905 /nfs/dbraw/zinc/71/39/05/1094713905.db2.gz GMUTZJQVQNPGDD-PBHICJAKSA-N 1 0 313.328 3.025 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001218322275 1094715945 /nfs/dbraw/zinc/71/59/45/1094715945.db2.gz LJBJMMBEQCKMQP-WBVHZDCISA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)c2)c1 ZINC001218329763 1094720764 /nfs/dbraw/zinc/72/07/64/1094720764.db2.gz FYQJGSWLVDEVFN-ZTFGCOKTSA-N 1 0 310.353 3.249 20 5 DGBDRO C[C@H]1CC[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218397928 1094750699 /nfs/dbraw/zinc/75/06/99/1094750699.db2.gz JHNIRNHFKGGTBT-WPRPVWTQSA-N 1 0 304.268 3.133 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218400237 1094752501 /nfs/dbraw/zinc/75/25/01/1094752501.db2.gz STJSGQQBHJNEQF-GFCCVEGCSA-N 1 0 317.172 3.423 20 5 DGBDRO C[C@H]1CC[C@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C[NH2+]1 ZINC001218401379 1094753671 /nfs/dbraw/zinc/75/36/71/1094753671.db2.gz HEHYWUXHZNTIRX-IUCAKERBSA-N 1 0 304.268 3.133 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218443069 1094777128 /nfs/dbraw/zinc/77/71/28/1094777128.db2.gz WOPQGWYCQWUMST-RKVPGOIHSA-N 1 0 310.353 3.391 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218443283 1094777687 /nfs/dbraw/zinc/77/76/87/1094777687.db2.gz ZILMRWKARVOZSC-JSTDYGSISA-N 1 0 303.145 3.031 20 5 DGBDRO c1ccc2nc3cc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@H]45)ccc3nc2c1 ZINC001218458563 1094787258 /nfs/dbraw/zinc/78/72/58/1094787258.db2.gz BUCIXVWQKSZGEO-SPKLELGKSA-N 1 0 305.381 3.160 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218468749 1094794105 /nfs/dbraw/zinc/79/41/05/1094794105.db2.gz SOCXPWVEKVIDNP-LPBBDHJYSA-N 1 0 317.172 3.278 20 5 DGBDRO CC(C)(C)c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c([N+](=O)[O-])c1 ZINC001218473487 1094796610 /nfs/dbraw/zinc/79/66/10/1094796610.db2.gz RARWMPLKRRGOAY-OSAQELSMSA-N 1 0 304.390 3.269 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001218484746 1094806600 /nfs/dbraw/zinc/80/66/00/1094806600.db2.gz WPAZSTGBAMQMAV-XCBNKYQSSA-N 1 0 305.161 3.278 20 5 DGBDRO C[C@@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001122168117 1094916060 /nfs/dbraw/zinc/91/60/60/1094916060.db2.gz YAEBJTBDLGHCFI-WBMJQRKESA-N 1 0 319.405 3.070 20 5 DGBDRO [NH3+]Cc1cccc2ccn(-c3nccc(Cl)c3[N+](=O)[O-])c21 ZINC001160454382 1095434529 /nfs/dbraw/zinc/43/45/29/1095434529.db2.gz YSFDDDZHGWFQKI-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC001116145419 1095468965 /nfs/dbraw/zinc/46/89/65/1095468965.db2.gz GYXNVBVPBLSIGL-GXTWGEPZSA-N 1 0 320.418 3.118 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001222790442 1095754562 /nfs/dbraw/zinc/75/45/62/1095754562.db2.gz UXIRKZYNEJMGDW-GOSISDBHSA-N 1 0 312.369 3.386 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC001117682167 1095799212 /nfs/dbraw/zinc/79/92/12/1095799212.db2.gz DAEKNQXIPVPURH-DWCFMXGVSA-N 1 0 318.417 3.339 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001118486541 1096020579 /nfs/dbraw/zinc/02/05/79/1096020579.db2.gz HBWOGNXDZTVDSH-APHBMKBZSA-N 1 0 321.421 3.127 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001118989033 1096116925 /nfs/dbraw/zinc/11/69/25/1096116925.db2.gz GNOWWKAWTJMVQF-UHFFFAOYSA-N 1 0 302.378 3.214 20 5 DGBDRO CC(C)(C)[NH+]1CCC(OCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224333064 1096191469 /nfs/dbraw/zinc/19/14/69/1096191469.db2.gz ABWMMDKVSPZBJU-UHFFFAOYSA-N 1 0 306.406 3.417 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@@H]1CCCC[NH2+]1 ZINC001171333039 1096396737 /nfs/dbraw/zinc/39/67/37/1096396737.db2.gz CMWGWTSDJOOECC-JTQLQIEISA-N 1 0 303.284 3.168 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC001225912419 1096561950 /nfs/dbraw/zinc/56/19/50/1096561950.db2.gz JPRIMNJGMPCKHR-UHFFFAOYSA-N 1 0 317.320 3.177 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC001225948848 1096571323 /nfs/dbraw/zinc/57/13/23/1096571323.db2.gz WEGHSOWQKBMKBG-OAHLLOKOSA-N 1 0 316.332 3.387 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226512802 1096709594 /nfs/dbraw/zinc/70/95/94/1096709594.db2.gz VHNAJPKCYOJDSM-AWEZNQCLSA-N 1 0 309.365 3.419 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(Cl)c(F)cc1[N+](=O)[O-])C2 ZINC001226909513 1096813777 /nfs/dbraw/zinc/81/37/77/1096813777.db2.gz WBOPGJHGWPIUEH-ILWJIGKKSA-N 1 0 314.744 3.391 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228139685 1097060343 /nfs/dbraw/zinc/06/03/43/1097060343.db2.gz WFHVEILYJVUODS-LBPRGKRZSA-N 1 0 301.346 3.005 20 5 DGBDRO C[NH+]1CCC(Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)CC1 ZINC001228154197 1097064714 /nfs/dbraw/zinc/06/47/14/1097064714.db2.gz JANZGQTZUKTRAI-UHFFFAOYSA-N 1 0 305.161 3.375 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001228935962 1097221265 /nfs/dbraw/zinc/22/12/65/1097221265.db2.gz MDUPVFXIIWNQPJ-VIFPVBQESA-N 1 0 307.292 3.087 20 5 DGBDRO CC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001228971342 1097228882 /nfs/dbraw/zinc/22/88/82/1097228882.db2.gz PBCGHPIVDPDDOA-JOCQHMNTSA-N 1 0 306.362 3.049 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccncc1F)CC2 ZINC001172898136 1097267569 /nfs/dbraw/zinc/26/75/69/1097267569.db2.gz GSHZQXHSNKQIFG-OAHLLOKOSA-N 1 0 315.348 3.166 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H](C)C[NH+](CC)CC ZINC001229177831 1097271852 /nfs/dbraw/zinc/27/18/52/1097271852.db2.gz MXCGEAOAKAGDFR-LBPRGKRZSA-N 1 0 308.378 3.297 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001229179400 1097272046 /nfs/dbraw/zinc/27/20/46/1097272046.db2.gz KBWDIBVXAGBMAL-MQMHXKEQSA-N 1 0 320.389 3.439 20 5 DGBDRO CCO[C@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917842 1097280045 /nfs/dbraw/zinc/28/00/45/1097280045.db2.gz XKNZPABZWJJTQP-WMZOPIPTSA-N 1 0 318.417 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@]13CCOC3)CC2 ZINC001172920082 1097280619 /nfs/dbraw/zinc/28/06/19/1097280619.db2.gz IHWPYKJWMMVPTJ-FUHWJXTLSA-N 1 0 316.401 3.097 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H]3C[C@H]1C[C@H]3F)CC2 ZINC001172911863 1097292207 /nfs/dbraw/zinc/29/22/07/1097292207.db2.gz WTTNUHRLIPQGIF-HDEZJCGLSA-N 1 0 304.365 3.275 20 5 DGBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)n(-c2ccc(C)c(C)c2)n1 ZINC001229332620 1097297285 /nfs/dbraw/zinc/29/72/85/1097297285.db2.gz BIRQQDQYOJMULI-MRXNPFEDSA-N 1 0 302.442 3.271 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229344203 1097301699 /nfs/dbraw/zinc/30/16/99/1097301699.db2.gz SECHCEAYVOPOTN-HNNXBMFYSA-N 1 0 315.373 3.395 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)C2CCC2)c1F ZINC001173181452 1097357016 /nfs/dbraw/zinc/35/70/16/1097357016.db2.gz WLXZQXIIDQECSQ-QWRGUYRKSA-N 1 0 310.369 3.452 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2C=CCCC2)c1F ZINC001173178810 1097357137 /nfs/dbraw/zinc/35/71/37/1097357137.db2.gz INHIVXCOSVQSKB-RYUDHWBXSA-N 1 0 308.353 3.372 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[Si](C)(C)C)c1F ZINC001173192812 1097357785 /nfs/dbraw/zinc/35/77/85/1097357785.db2.gz RFNJOQDAQFQFCB-SNVBAGLBSA-N 1 0 314.433 3.141 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2C3CCC2CC3)c1F ZINC001173190125 1097358149 /nfs/dbraw/zinc/35/81/49/1097358149.db2.gz QPRMCXVSJDKSGR-UNXYVOJBSA-N 1 0 308.353 3.300 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN(C)c1ccccc1 ZINC001173215202 1097366659 /nfs/dbraw/zinc/36/66/59/1097366659.db2.gz UIKCYKZSTZQAKA-OAHLLOKOSA-N 1 0 313.401 3.252 20 5 DGBDRO CCCC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215372 1097367741 /nfs/dbraw/zinc/36/77/41/1097367741.db2.gz VOEVEYSYNOWCRG-OAHLLOKOSA-N 1 0 307.438 3.237 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CCCC(C)(C)O ZINC001173218104 1097369540 /nfs/dbraw/zinc/36/95/40/1097369540.db2.gz OHZKHZHGIUVSES-UONOGXRCSA-N 1 0 308.422 3.445 20 5 DGBDRO COCc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173219358 1097370088 /nfs/dbraw/zinc/37/00/88/1097370088.db2.gz BLLOITATYFDOCF-CQSZACIVSA-N 1 0 314.385 3.462 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])c1cccnc1Cl ZINC001173219855 1097370181 /nfs/dbraw/zinc/37/01/81/1097370181.db2.gz PVQPLUZTAKYTFQ-SNVBAGLBSA-N 1 0 318.764 3.189 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001173225759 1097374780 /nfs/dbraw/zinc/37/47/80/1097374780.db2.gz GAEUSAFSGVSQIV-JQWIXIFHSA-N 1 0 302.296 3.410 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCC2)CC1 ZINC001173228703 1097375831 /nfs/dbraw/zinc/37/58/31/1097375831.db2.gz YQKMKQQDWOMFEV-OAHLLOKOSA-N 1 0 317.433 3.086 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001173228186 1097375905 /nfs/dbraw/zinc/37/59/05/1097375905.db2.gz UEJQFXHTDDZJHJ-MAUKXSAKSA-N 1 0 317.433 3.086 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001173228964 1097376000 /nfs/dbraw/zinc/37/60/00/1097376000.db2.gz OQRAQDGRXOXIIW-KMFMINBZSA-N 1 0 304.390 3.027 20 5 DGBDRO COCCC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173228356 1097376106 /nfs/dbraw/zinc/37/61/06/1097376106.db2.gz VFONJEZMNFMYCG-CQSZACIVSA-N 1 0 306.406 3.274 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(C1)CCOCC2 ZINC001173228358 1097376568 /nfs/dbraw/zinc/37/65/68/1097376568.db2.gz VIEBGCJFFKKNTM-CQSZACIVSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc2ccc(C[NH3+])cc21 ZINC001173232219 1097377398 /nfs/dbraw/zinc/37/73/98/1097377398.db2.gz DYABCNKKMORUFI-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001173235695 1097379614 /nfs/dbraw/zinc/37/96/14/1097379614.db2.gz YOESTLQFJQOJCC-HIFRSBDPSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(O)cc1 ZINC001173210044 1097381518 /nfs/dbraw/zinc/38/15/18/1097381518.db2.gz GZQGZGJTVXDLPS-CYBMUJFWSA-N 1 0 300.358 3.064 20 5 DGBDRO CCOC(CCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)OCC ZINC001173210532 1097381691 /nfs/dbraw/zinc/38/16/91/1097381691.db2.gz LOKRNYDQMBPDPU-CQSZACIVSA-N 1 0 324.421 3.295 20 5 DGBDRO COC(=O)C[C@@H](c1cccc(O[C@H](C)C[N+](C)(C)C)c1)C1CC1 ZINC001230987978 1097638683 /nfs/dbraw/zinc/63/86/83/1097638683.db2.gz BHFMHNWIAQNXBZ-RDTXWAMCSA-N 1 0 320.453 3.217 20 5 DGBDRO COC(=O)C[C@@H](c1cccc(O[C@H](C)C[N+](C)(C)C)c1)C(C)C ZINC001230998836 1097642111 /nfs/dbraw/zinc/64/21/11/1097642111.db2.gz GFLKGZCYEORIIF-CRAIPNDOSA-N 1 0 322.469 3.463 20 5 DGBDRO CC[C@H](CC(=O)OC)c1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001231005840 1097643662 /nfs/dbraw/zinc/64/36/62/1097643662.db2.gz DNIIKUGNCPFBKS-LSDHHAIUSA-N 1 0 308.442 3.217 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCC[C@H]1O ZINC001232218705 1097970207 /nfs/dbraw/zinc/97/02/07/1097970207.db2.gz KGCHKCSYLRHEQZ-KBXCAEBGSA-N 1 0 321.424 3.376 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[NH+]3CC4(C3)CCOCC4)nc12 ZINC001232221206 1097971312 /nfs/dbraw/zinc/97/13/12/1097971312.db2.gz HCPLMHAYGVEXDB-UHFFFAOYSA-N 1 0 319.408 3.395 20 5 DGBDRO CC(=O)[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232225682 1097972818 /nfs/dbraw/zinc/97/28/18/1097972818.db2.gz OLMKMFPQYHZEPF-INIZCTEOSA-N 1 0 305.381 3.194 20 5 DGBDRO CC(=O)[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232225685 1097974481 /nfs/dbraw/zinc/97/44/81/1097974481.db2.gz OLMKMFPQYHZEPF-MRXNPFEDSA-N 1 0 305.381 3.194 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc2cccc(Br)c2cn1 ZINC001233513745 1098358380 /nfs/dbraw/zinc/35/83/80/1098358380.db2.gz JXDIIEJXIYTQBM-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCSC[C@@H]2C2CC2)cc1 ZINC001176641588 1098396317 /nfs/dbraw/zinc/39/63/17/1098396317.db2.gz SHYPFSRAPJQKIO-MRXNPFEDSA-N 1 0 322.430 3.191 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233835636 1098439454 /nfs/dbraw/zinc/43/94/54/1098439454.db2.gz AOUSEXNCLOMVCB-CYBMUJFWSA-N 1 0 301.346 3.005 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233837177 1098440403 /nfs/dbraw/zinc/44/04/03/1098440403.db2.gz WAMCJEIYYRSNHI-ZDUSSCGKSA-N 1 0 301.346 3.006 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001234365696 1098543788 /nfs/dbraw/zinc/54/37/88/1098543788.db2.gz JLIOZKPMNFWKFS-AWEZNQCLSA-O 1 0 323.457 3.185 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1COc2ccccc21 ZINC001178856218 1098962834 /nfs/dbraw/zinc/96/28/34/1098962834.db2.gz VNLWVZGYBAFELP-CQSZACIVSA-N 1 0 312.369 3.477 20 5 DGBDRO COc1cc(C[NH2+]CC2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC001179110853 1099020510 /nfs/dbraw/zinc/02/05/10/1099020510.db2.gz ODXVPGHBFMXCRT-VXGBXAGGSA-N 1 0 322.405 3.471 20 5 DGBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001179646671 1099153861 /nfs/dbraw/zinc/15/38/61/1099153861.db2.gz UORROGVZAWZJGI-ABAIWWIYSA-N 1 0 318.398 3.448 20 5 DGBDRO C[C@@H]1[C@@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001187663264 1099567328 /nfs/dbraw/zinc/56/73/28/1099567328.db2.gz UCCIQTFHQPHTNB-SCZZXKLOSA-N 1 0 303.284 3.118 20 5 DGBDRO C[C@H]1[C@@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001187663266 1099568406 /nfs/dbraw/zinc/56/84/06/1099568406.db2.gz UCCIQTFHQPHTNB-WPRPVWTQSA-N 1 0 303.284 3.118 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C)C[C@H]2CC(C)C)c(F)cc1[N+](=O)[O-] ZINC001187709162 1099581475 /nfs/dbraw/zinc/58/14/75/1099581475.db2.gz QERMZIWWCWCABX-CYBMUJFWSA-N 1 0 309.385 3.209 20 5 DGBDRO N[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC12COC2 ZINC001237177008 1100014829 /nfs/dbraw/zinc/01/48/29/1100014829.db2.gz VVWKTZVPFHQDOJ-HXUWFJFHSA-N 1 0 318.420 3.153 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCC(C)(C)C ZINC001195496572 1101150693 /nfs/dbraw/zinc/15/06/93/1101150693.db2.gz DPGYKZDVFGJPMN-LBPRGKRZSA-N 1 0 307.394 3.290 20 5 DGBDRO C[C@](CO)([NH2+]CCC1=CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001196907305 1101431124 /nfs/dbraw/zinc/43/11/24/1101431124.db2.gz KSYHSIVPYJDDAR-QGZVFWFLSA-N 1 0 304.390 3.282 20 5 DGBDRO Cc1c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001198684603 1101958545 /nfs/dbraw/zinc/95/85/45/1101958545.db2.gz CAZYDESQTGBBLR-IAGOWNOFSA-N 1 0 304.390 3.437 20 5 DGBDRO CCC[NH2+][C@@H](C)c1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001326513861 1103349140 /nfs/dbraw/zinc/34/91/40/1103349140.db2.gz XRWBXVMOCWVORA-NSHDSACASA-N 1 0 304.350 3.322 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001327004217 1103496964 /nfs/dbraw/zinc/49/69/64/1103496964.db2.gz IQJPKMKXQDBNEW-UHFFFAOYSA-N 1 0 323.824 3.214 20 5 DGBDRO CC[N@H+](CCCNc1ncc([N+](=O)[O-])c(C)n1)C1CCCCC1 ZINC001329649641 1104359389 /nfs/dbraw/zinc/35/93/89/1104359389.db2.gz YMGQUUCREKKZLG-UHFFFAOYSA-N 1 0 321.425 3.150 20 5 DGBDRO CO[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001330624961 1104596732 /nfs/dbraw/zinc/59/67/32/1104596732.db2.gz IZQWUJMFMBIRNT-QGZVFWFLSA-N 1 0 318.348 3.254 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@H](CCF)C2)c2cc([N+](=O)[O-])ccc12 ZINC001330665892 1104611409 /nfs/dbraw/zinc/61/14/09/1104611409.db2.gz OINOZBAMMSFPJM-CYBMUJFWSA-N 1 0 320.368 3.282 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246616541 1104629999 /nfs/dbraw/zinc/62/99/99/1104629999.db2.gz WZCKIJDFMQWMLT-YJBOKZPZSA-N 1 0 317.433 3.134 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@]12CCC[NH2+]C2 ZINC001246653086 1104649926 /nfs/dbraw/zinc/64/99/26/1104649926.db2.gz QVWUPVHODGONHL-QAPCUYQASA-N 1 0 317.433 3.134 20 5 DGBDRO [NH3+][C@H]1CC[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248327149 1105097866 /nfs/dbraw/zinc/09/78/66/1105097866.db2.gz BDFOXOCDQKPYSL-STQMWFEESA-N 1 0 317.352 3.038 20 5 DGBDRO COc1ccc(Nc2ccc3c(c2)C[N@@H+](C)CC3)c([N+](=O)[O-])c1 ZINC001248488749 1105118940 /nfs/dbraw/zinc/11/89/40/1105118940.db2.gz OBQBGFXYRZUJKL-UHFFFAOYSA-N 1 0 313.357 3.335 20 5 DGBDRO CCC[NH2+]Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001249021811 1105212775 /nfs/dbraw/zinc/21/27/75/1105212775.db2.gz DTDWMSQKMNNZFZ-UHFFFAOYSA-N 1 0 319.368 3.333 20 5 DGBDRO C[C@H]1C[C@@H](CF)[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254473892 1106078124 /nfs/dbraw/zinc/07/81/24/1106078124.db2.gz JDIRMHARXQQVAW-GUYCJALGSA-N 1 0 321.396 3.244 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(F)CCC3)CC2)cc1 ZINC001254470921 1106078150 /nfs/dbraw/zinc/07/81/50/1106078150.db2.gz XCKSFAFHNPZQSN-UHFFFAOYSA-N 1 0 307.369 3.045 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC2(COC2)CC1 ZINC001254537936 1106097747 /nfs/dbraw/zinc/09/77/47/1106097747.db2.gz KGESLDRBRRKPEU-CQSZACIVSA-N 1 0 318.417 3.322 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC001254539704 1106098797 /nfs/dbraw/zinc/09/87/97/1106098797.db2.gz JYPVKKMODIBAAP-HOTGVXAUSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH3+])c2ccccc21 ZINC001254541036 1106099511 /nfs/dbraw/zinc/09/95/11/1106099511.db2.gz YLVHDMASLVJSEP-XJKSGUPXSA-N 1 0 311.385 3.436 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH3+])c2ccccc21 ZINC001254541029 1106099940 /nfs/dbraw/zinc/09/99/40/1106099940.db2.gz YLVHDMASLVJSEP-BBRMVZONSA-N 1 0 311.385 3.436 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001254551799 1106101126 /nfs/dbraw/zinc/10/11/26/1106101126.db2.gz FVDOOMXMZROPKT-HOCLYGCPSA-N 1 0 318.417 3.010 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccc(N)cc2)CC1 ZINC001254550777 1106101775 /nfs/dbraw/zinc/10/17/75/1106101775.db2.gz QSXUHLDOPHRGPL-ZDUSSCGKSA-N 1 0 311.385 3.387 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cc(O)ccc2C1 ZINC001254552407 1106102669 /nfs/dbraw/zinc/10/26/69/1106102669.db2.gz LHMPCWHCYLLIOI-CYBMUJFWSA-N 1 0 312.369 3.290 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(n2ccnc2)CC1 ZINC001254559106 1106103237 /nfs/dbraw/zinc/10/32/37/1106103237.db2.gz IITQXZWRWHKBHV-AWEZNQCLSA-N 1 0 314.389 3.059 20 5 DGBDRO CO[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254556408 1106103441 /nfs/dbraw/zinc/10/34/41/1106103441.db2.gz KVTXMSILOWPRIY-JXSMBQFASA-N 1 0 318.417 3.273 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCO2)CC1 ZINC001254559646 1106103460 /nfs/dbraw/zinc/10/34/60/1106103460.db2.gz LMZOHDTXRKZGQS-CQSZACIVSA-N 1 0 304.390 3.171 20 5 DGBDRO COCCC1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254561386 1106104004 /nfs/dbraw/zinc/10/40/04/1106104004.db2.gz HDEFPJIXELETDL-CQSZACIVSA-N 1 0 306.406 3.274 20 5 DGBDRO C[C@@H]([NH3+])c1nc2ccccc2n1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566264 1106105059 /nfs/dbraw/zinc/10/50/59/1106105059.db2.gz JCVMSONKXNFRTR-IAQYHMDHSA-N 1 0 322.368 3.304 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cncc1C1CC[NH2+]CC1 ZINC001254563943 1106105296 /nfs/dbraw/zinc/10/52/96/1106105296.db2.gz HADYCSXCMRBWHR-ZDUSSCGKSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001254564243 1106105335 /nfs/dbraw/zinc/10/53/35/1106105335.db2.gz JXFMMHQLNSGKSS-GDBMZVCRSA-N 1 0 318.417 3.274 20 5 DGBDRO COc1ccccc1[C@@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571902 1106105766 /nfs/dbraw/zinc/10/57/66/1106105766.db2.gz CYDLBYRGRAKQFF-DOMZBBRYSA-N 1 0 312.369 3.421 20 5 DGBDRO Cc1cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)ccc1F ZINC001254572204 1106106827 /nfs/dbraw/zinc/10/68/27/1106106827.db2.gz JPYVLMUWPHVGIM-OAHLLOKOSA-N 1 0 300.333 3.299 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCc3c1cccc3F)C2 ZINC001254578070 1106107722 /nfs/dbraw/zinc/10/77/22/1106107722.db2.gz IVUOSRGHOZGDNI-UGSOOPFHSA-N 1 0 312.344 3.478 20 5 DGBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254582360 1106108226 /nfs/dbraw/zinc/10/82/26/1106108226.db2.gz SLNZZBZNNKZSFJ-BEFAXECRSA-N 1 0 324.380 3.348 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCO2 ZINC001254582758 1106108610 /nfs/dbraw/zinc/10/86/10/1106108610.db2.gz XCAKLRULCNRXFR-CRAIPNDOSA-N 1 0 324.380 3.484 20 5 DGBDRO COc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586328 1106109120 /nfs/dbraw/zinc/10/91/20/1106109120.db2.gz QKNAACKDPYHNGT-HNAYVOBHSA-N 1 0 324.380 3.348 20 5 DGBDRO Cc1ccnc(C2(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254585718 1106109140 /nfs/dbraw/zinc/10/91/40/1106109140.db2.gz FJOVHZSYONQPNV-INIZCTEOSA-N 1 0 323.396 3.087 20 5 DGBDRO CC(C)(Cc1ccncc1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254587995 1106109162 /nfs/dbraw/zinc/10/91/62/1106109162.db2.gz ULIWFNPCVXBWAM-MRXNPFEDSA-N 1 0 311.385 3.068 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H]1c1cccnc1)C2 ZINC001254597306 1106110561 /nfs/dbraw/zinc/11/05/61/1106110561.db2.gz HBDYJHFDBHRMPE-MSOLQXFVSA-N 1 0 309.369 3.294 20 5 DGBDRO C[N@H+](CCc1cccs1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599933 1106110633 /nfs/dbraw/zinc/11/06/33/1106110633.db2.gz MZJZHHYYVCIMKJ-OAHLLOKOSA-N 1 0 302.399 3.298 20 5 DGBDRO C[N@H+](CCOc1ccccc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598556 1106110865 /nfs/dbraw/zinc/11/08/65/1106110865.db2.gz HSNQBAJBNZUPTK-QGZVFWFLSA-N 1 0 312.369 3.073 20 5 DGBDRO C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596712 1106110872 /nfs/dbraw/zinc/11/08/72/1106110872.db2.gz FLTRJKCXOOHOSM-IAQYHMDHSA-N 1 0 310.344 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCc3ccccc3CC1)C2 ZINC001254598653 1106110922 /nfs/dbraw/zinc/11/09/22/1106110922.db2.gz IYIYPHJQKQAZCR-IBGZPJMESA-N 1 0 308.381 3.163 20 5 DGBDRO CCC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087799 1106367263 /nfs/dbraw/zinc/36/72/63/1106367263.db2.gz QAMFZOBNGNGGFV-CYBMUJFWSA-N 1 0 321.421 3.350 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001321795993 1107435799 /nfs/dbraw/zinc/43/57/99/1107435799.db2.gz GZSJTHFZMCGJMH-CABCVRRESA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC001261601852 1107486193 /nfs/dbraw/zinc/48/61/93/1107486193.db2.gz CCQJJHLFPYISKX-ZDDJMSTPSA-N 1 0 311.332 3.261 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cnn1C ZINC001261853038 1107548904 /nfs/dbraw/zinc/54/89/04/1107548904.db2.gz VVMXXCKKZMLJCX-WDEREUQCSA-N 1 0 320.368 3.058 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)c2c1 ZINC001317668139 1107587790 /nfs/dbraw/zinc/58/77/90/1107587790.db2.gz OCIZOKIDCCTYEW-DZGCQCFKSA-N 1 0 314.389 3.414 20 5 DGBDRO CC(=O)c1cc(N[C@@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001322701034 1107738897 /nfs/dbraw/zinc/73/88/97/1107738897.db2.gz LBABMBBDADTIHH-GDBMZVCRSA-N 1 0 305.378 3.082 20 5 DGBDRO CC(=O)c1cc(N[C@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001322701035 1107739704 /nfs/dbraw/zinc/73/97/04/1107739704.db2.gz LBABMBBDADTIHH-GOEBONIOSA-N 1 0 305.378 3.082 20 5 DGBDRO CC(=O)c1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001322701036 1107739716 /nfs/dbraw/zinc/73/97/16/1107739716.db2.gz LBABMBBDADTIHH-HOCLYGCPSA-N 1 0 305.378 3.082 20 5 DGBDRO CC(=O)c1cc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001322701037 1107739749 /nfs/dbraw/zinc/73/97/49/1107739749.db2.gz LBABMBBDADTIHH-ZBFHGGJFSA-N 1 0 305.378 3.082 20 5 DGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCC(O)CC1 ZINC001324401792 1108275956 /nfs/dbraw/zinc/27/59/56/1108275956.db2.gz YRDMEYULNKECQG-UHFFFAOYSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)C[NH+]1CCCC1 ZINC001306936240 1111252501 /nfs/dbraw/zinc/25/25/01/1111252501.db2.gz PLVKAVPRALDXRG-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CC(C)Oc1nc(N[C@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001306971594 1111256404 /nfs/dbraw/zinc/25/64/04/1111256404.db2.gz LKFJIGAFIXQBTE-GFCCVEGCSA-N 1 0 324.425 3.165 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001307129516 1111268935 /nfs/dbraw/zinc/26/89/35/1111268935.db2.gz FGZONFHJQYUZJA-AWEZNQCLSA-N 1 0 323.441 3.042 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001307166401 1111273893 /nfs/dbraw/zinc/27/38/93/1111273893.db2.gz VDCBLDWXNHTVCT-SNVBAGLBSA-N 1 0 303.284 3.120 20 5 DGBDRO CCC(C)(C)[C@H](C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001307924229 1111356306 /nfs/dbraw/zinc/35/63/06/1111356306.db2.gz QPEQAGDXCUNNRH-LBPRGKRZSA-N 1 0 310.394 3.397 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001308115316 1111380179 /nfs/dbraw/zinc/38/01/79/1111380179.db2.gz UUUSVFMISUMZLB-KBPBESRZSA-N 1 0 312.373 3.244 20 5 DGBDRO CCC[C@H](CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001308489917 1111434089 /nfs/dbraw/zinc/43/40/89/1111434089.db2.gz DDKXLFOUKLXYOL-CYBMUJFWSA-N 1 0 318.373 3.496 20 5 DGBDRO Cc1ccc(C[NH2+]CC2=Cc3ccccc3OC2)cc1[N+](=O)[O-] ZINC001308494196 1111434922 /nfs/dbraw/zinc/43/49/22/1111434922.db2.gz GGHOCXWKJUUOBI-UHFFFAOYSA-N 1 0 310.353 3.469 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)cccc1[N+](=O)[O-] ZINC001308537857 1111439524 /nfs/dbraw/zinc/43/95/24/1111439524.db2.gz DZFZVWHLOFPRQZ-HNNXBMFYSA-N 1 0 304.390 3.485 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC001308547817 1111441730 /nfs/dbraw/zinc/44/17/30/1111441730.db2.gz SCQRYPUYSKHXFJ-ZWKOPEQDSA-N 1 0 312.316 3.474 20 5 DGBDRO CCOC(=O)CC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C1CC1 ZINC001308626641 1111452864 /nfs/dbraw/zinc/45/28/64/1111452864.db2.gz GFCWDPNMTCHINW-UHFFFAOYSA-N 1 0 320.389 3.129 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)c1[N+](=O)[O-] ZINC001308690811 1111461549 /nfs/dbraw/zinc/46/15/49/1111461549.db2.gz DTGYYFKRFKKDSM-DGCLKSJQSA-N 1 0 308.378 3.367 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@H]2CCC[C@H](C)CC2)c1[N+](=O)[O-] ZINC001308690810 1111461564 /nfs/dbraw/zinc/46/15/64/1111461564.db2.gz DTGYYFKRFKKDSM-AAEUAGOBSA-N 1 0 308.378 3.367 20 5 DGBDRO Cc1ccc2cc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC001308747216 1111469790 /nfs/dbraw/zinc/46/97/90/1111469790.db2.gz ODAQIOQEQQIPOT-UHFFFAOYSA-N 1 0 324.384 3.350 20 5 DGBDRO COc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1C ZINC001308872459 1111487206 /nfs/dbraw/zinc/48/72/06/1111487206.db2.gz RSOXTSBGKVCBMO-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(Br)CC1 ZINC001308964730 1111500704 /nfs/dbraw/zinc/50/07/04/1111500704.db2.gz CDOMXTYGWDGLAT-UHFFFAOYSA-N 1 0 313.195 3.229 20 5 DGBDRO COC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC001308973633 1111503271 /nfs/dbraw/zinc/50/32/71/1111503271.db2.gz XRRRUOZPWNTIGR-UHFFFAOYSA-N 1 0 306.406 3.466 20 5 DGBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000286547703 219047532 /nfs/dbraw/zinc/04/75/32/219047532.db2.gz ZJPKEWZTKLLBHS-ZDUSSCGKSA-N 1 0 306.410 3.101 20 5 DGBDRO C[C@H](O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305862587 231078634 /nfs/dbraw/zinc/07/86/34/231078634.db2.gz YNOWXDZFSCUINK-SUMWQHHRSA-N 1 0 300.358 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000318419702 231170056 /nfs/dbraw/zinc/17/00/56/231170056.db2.gz KFYWERMFJZIUDY-IMJJTQAJSA-N 1 0 324.808 3.374 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2ncccc12)C[NH+]1CCCC1 ZINC000320718964 231196952 /nfs/dbraw/zinc/19/69/52/231196952.db2.gz LRUOPZHFMFIRCW-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000320458857 231195396 /nfs/dbraw/zinc/19/53/96/231195396.db2.gz DLDJWSKNPQQQMT-WCQYABFASA-N 1 0 318.295 3.103 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1O ZINC000427986574 529418066 /nfs/dbraw/zinc/41/80/66/529418066.db2.gz YEYHLHOQLSXXDL-IPYPFGDCSA-N 1 0 324.446 3.359 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@H+](C)C1CCCCC1 ZINC000323922563 231221993 /nfs/dbraw/zinc/22/19/93/231221993.db2.gz NAPHLOJTDBFZQA-UHFFFAOYSA-N 1 0 323.441 3.186 20 5 DGBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc2ncccc21 ZINC000322601466 231212165 /nfs/dbraw/zinc/21/21/65/231212165.db2.gz MIALBWWRIDGIBO-OLZOCXBDSA-N 1 0 312.373 3.182 20 5 DGBDRO COC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000449344107 536684165 /nfs/dbraw/zinc/68/41/65/536684165.db2.gz AVDRVAJSBNCALT-CQSZACIVSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063309314 432005110 /nfs/dbraw/zinc/00/51/10/432005110.db2.gz YWGKAKCYIXYTRS-ZDUSSCGKSA-N 1 0 305.378 3.045 20 5 DGBDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000090529648 185300644 /nfs/dbraw/zinc/30/06/44/185300644.db2.gz PNSAYXWCRWNKRU-GWCFXTLKSA-N 1 0 302.378 3.217 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000168973900 197731906 /nfs/dbraw/zinc/73/19/06/197731906.db2.gz GUSSAELDFIGRHR-OAGGEKHMSA-N 1 0 302.374 3.032 20 5 DGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192825314 282299522 /nfs/dbraw/zinc/29/95/22/282299522.db2.gz PJEUFGFQRPQLAB-DIFFPNOSSA-N 1 0 314.389 3.365 20 5 DGBDRO CN(CCC[NH+]1CCCC1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413269412 529887321 /nfs/dbraw/zinc/88/73/21/529887321.db2.gz NPSHNJUMHOFJTR-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cc(F)cc(F)c1 ZINC000444689465 529926177 /nfs/dbraw/zinc/92/61/77/529926177.db2.gz GCCMQSCGAAPBME-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000330830409 232100027 /nfs/dbraw/zinc/10/00/27/232100027.db2.gz JOSMPRXPTUASSK-ATCWAGBWSA-N 1 0 319.405 3.256 20 5 DGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286764706 219154683 /nfs/dbraw/zinc/15/46/83/219154683.db2.gz GCPKZSDQGGHSRX-IUODEOHRSA-N 1 0 323.824 3.307 20 5 DGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286764709 219154769 /nfs/dbraw/zinc/15/47/69/219154769.db2.gz GCPKZSDQGGHSRX-WFASDCNBSA-N 1 0 323.824 3.307 20 5 DGBDRO CC(C)[N@H+](CCOCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000066434551 432016276 /nfs/dbraw/zinc/01/62/76/432016276.db2.gz MGQFEXFSSNVLGE-UHFFFAOYSA-N 1 0 320.311 3.384 20 5 DGBDRO CC[C@@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130136061 432016318 /nfs/dbraw/zinc/01/63/18/432016318.db2.gz MJASUPVLHOLSKR-FRFSOERESA-N 1 0 306.406 3.057 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000451471582 535072204 /nfs/dbraw/zinc/07/22/04/535072204.db2.gz PRZAXLBSYJBSNL-FZZIBODNSA-N 1 0 310.781 3.151 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000130342575 432022333 /nfs/dbraw/zinc/02/23/33/432022333.db2.gz CYKPISNRQJOPEU-TXCZRRACSA-N 1 0 318.417 3.321 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000130341934 432022420 /nfs/dbraw/zinc/02/24/20/432022420.db2.gz CYKPISNRQJOPEU-XOSAIJSUSA-N 1 0 318.417 3.321 20 5 DGBDRO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173339853 186178327 /nfs/dbraw/zinc/17/83/27/186178327.db2.gz LCCNGMXBORTICA-CYBMUJFWSA-N 1 0 319.405 3.084 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000188012251 186243148 /nfs/dbraw/zinc/24/31/48/186243148.db2.gz GXKUWJBAALGLDI-UMVBOHGHSA-N 1 0 322.405 3.195 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)C1CC1 ZINC000188030405 186246174 /nfs/dbraw/zinc/24/61/74/186246174.db2.gz BHWKCUQLJHAGNO-COXVUDFISA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000267835705 186371171 /nfs/dbraw/zinc/37/11/71/186371171.db2.gz SGNSAGPXXMJSNL-IJLUTSLNSA-N 1 0 316.361 3.294 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000277229176 213381952 /nfs/dbraw/zinc/38/19/52/213381952.db2.gz OOMSCVMFIQWQHK-ZDUSSCGKSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000172647518 198131326 /nfs/dbraw/zinc/13/13/26/198131326.db2.gz QYTNVUWBBHYMRX-CYBMUJFWSA-N 1 0 323.824 3.166 20 5 DGBDRO CC[C@@](C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000072682994 191214779 /nfs/dbraw/zinc/21/47/79/191214779.db2.gz KPQIHYMCSPUYAA-OAHLLOKOSA-N 1 0 321.402 3.345 20 5 DGBDRO C[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000072875545 191245948 /nfs/dbraw/zinc/24/59/48/191245948.db2.gz VRDWPPJOETVPFS-LBPRGKRZSA-N 1 0 301.346 3.277 20 5 DGBDRO CCC[NH+](CCC)CCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173489051 198220425 /nfs/dbraw/zinc/22/04/25/198220425.db2.gz HYRQHGLGCQXSOJ-UHFFFAOYSA-N 1 0 321.421 3.145 20 5 DGBDRO COc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000131707443 432036163 /nfs/dbraw/zinc/03/61/63/432036163.db2.gz HRWYNLKQVKRMJY-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000078542688 191881728 /nfs/dbraw/zinc/88/17/28/191881728.db2.gz NVHPNHLNXAPSQC-CYBMUJFWSA-N 1 0 317.311 3.366 20 5 DGBDRO CCOC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000081519880 192278963 /nfs/dbraw/zinc/27/89/63/192278963.db2.gz YWXGUGIREOHODD-AWEZNQCLSA-N 1 0 322.405 3.240 20 5 DGBDRO CCOc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000276846698 213131117 /nfs/dbraw/zinc/13/11/17/213131117.db2.gz CZEMLMMCMILKGV-IRXDYDNUSA-N 1 0 320.389 3.041 20 5 DGBDRO CSC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000178659163 198906095 /nfs/dbraw/zinc/90/60/95/198906095.db2.gz KFSWHRZKDBAYNH-LBPRGKRZSA-N 1 0 310.419 3.158 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000168973994 432070905 /nfs/dbraw/zinc/07/09/05/432070905.db2.gz GUSSAELDFIGRHR-PMPSAXMXSA-N 1 0 302.374 3.032 20 5 DGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178718934 198915791 /nfs/dbraw/zinc/91/57/91/198915791.db2.gz ZFXZAJOYFLYPQZ-NWDGAFQWSA-N 1 0 302.378 3.357 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000168973809 432071134 /nfs/dbraw/zinc/07/11/34/432071134.db2.gz GUSSAELDFIGRHR-JYJNAYRXSA-N 1 0 302.374 3.032 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2CCCO2)c2ccccc2)c1 ZINC000179976599 432075394 /nfs/dbraw/zinc/07/53/94/432075394.db2.gz WEWUCAFPMMBOCY-ROUUACIJSA-N 1 0 312.369 3.453 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC2(CC2)C1 ZINC000186977788 200042425 /nfs/dbraw/zinc/04/24/25/200042425.db2.gz IXJARAGOZLSMHO-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1(CO)CC1)CCCC2 ZINC000417349547 237612141 /nfs/dbraw/zinc/61/21/41/237612141.db2.gz LQHVYUMORWRCFL-INIZCTEOSA-N 1 0 304.390 3.115 20 5 DGBDRO Cc1cc(NC[C@H]([NH3+])C2CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420216755 237690753 /nfs/dbraw/zinc/69/07/53/237690753.db2.gz GIHIFUHRQZVJAT-JTQLQIEISA-N 1 0 303.284 3.071 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CC[C@H](O)C3)o2)c1 ZINC000188843629 200311360 /nfs/dbraw/zinc/31/13/60/200311360.db2.gz MWRHFVWKZROSGJ-DOMZBBRYSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](N[C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423181571 237829990 /nfs/dbraw/zinc/82/99/90/237829990.db2.gz GCLLTPDXLKDVDP-AEFFLSMTSA-N 1 0 311.385 3.026 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000189295554 200377441 /nfs/dbraw/zinc/37/74/41/200377441.db2.gz VOIXTUKJOVJGNN-TXCZRRACSA-N 1 0 318.417 3.057 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000431699416 238109252 /nfs/dbraw/zinc/10/92/52/238109252.db2.gz QSHMUKUVDXHRNM-SJLPKXTDSA-N 1 0 312.369 3.462 20 5 DGBDRO CC[C@H](CCO)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180608508 432091486 /nfs/dbraw/zinc/09/14/86/432091486.db2.gz JPIDPUORBGYXTH-SJLPKXTDSA-N 1 0 314.385 3.435 20 5 DGBDRO COC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000433202770 238150295 /nfs/dbraw/zinc/15/02/95/238150295.db2.gz TZXPOKHHKUMZAI-RDJZCZTQSA-N 1 0 322.405 3.002 20 5 DGBDRO C[C@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173322340 299313969 /nfs/dbraw/zinc/31/39/69/299313969.db2.gz XYFOMOLFKPPLBW-ILXRZTDVSA-N 1 0 305.422 3.366 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000193800064 201124953 /nfs/dbraw/zinc/12/49/53/201124953.db2.gz ISNNNAIDJJRCBA-FZMZJTMJSA-N 1 0 305.334 3.268 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000194006501 201160765 /nfs/dbraw/zinc/16/07/65/201160765.db2.gz LKXYIMLSAHNRTP-FZMZJTMJSA-N 1 0 305.378 3.010 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCC(F)(F)F)n1 ZINC000442864085 239138916 /nfs/dbraw/zinc/13/89/16/239138916.db2.gz YNEFBNPDZVJIED-GHMZBOCLSA-N 1 0 320.315 3.207 20 5 DGBDRO Cc1c(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000443685341 239227793 /nfs/dbraw/zinc/22/77/93/239227793.db2.gz SQKIFCPLEJBNDV-LBPRGKRZSA-N 1 0 322.409 3.001 20 5 DGBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000195511270 201397091 /nfs/dbraw/zinc/39/70/91/201397091.db2.gz NEYGQUSCEMJPJD-GFCCVEGCSA-N 1 0 306.391 3.075 20 5 DGBDRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000072591375 283752581 /nfs/dbraw/zinc/75/25/81/283752581.db2.gz HTAQIXZQLPKFBZ-CQSZACIVSA-N 1 0 324.421 3.139 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC23CCC(CC2)C3)n1 ZINC000447574080 239661819 /nfs/dbraw/zinc/66/18/19/239661819.db2.gz LENRWMDASVMQNW-GWUWNPHMSA-N 1 0 318.421 3.445 20 5 DGBDRO Cc1cc(C(=O)NCCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000074336899 283795852 /nfs/dbraw/zinc/79/58/52/283795852.db2.gz STSBDNNVZYDLIJ-UHFFFAOYSA-N 1 0 321.421 3.142 20 5 DGBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C(C)(C)C1 ZINC000275462038 212347915 /nfs/dbraw/zinc/34/79/15/212347915.db2.gz KGVMTHGTIZGUIX-NSHDSACASA-N 1 0 323.368 3.183 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(F)c1 ZINC000449069646 240002770 /nfs/dbraw/zinc/00/27/70/240002770.db2.gz XVFNGCFLLCMBEJ-ZDUSSCGKSA-N 1 0 302.349 3.497 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N(C)C)c1 ZINC000449126539 240029370 /nfs/dbraw/zinc/02/93/70/240029370.db2.gz MICQIZDMLCCLDC-AWEZNQCLSA-N 1 0 313.401 3.382 20 5 DGBDRO Cc1nccn1CCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449160612 240044228 /nfs/dbraw/zinc/04/42/28/240044228.db2.gz CAYPINDBCPCMQB-AWEZNQCLSA-N 1 0 316.405 3.101 20 5 DGBDRO Cc1cnc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000449168741 240048877 /nfs/dbraw/zinc/04/88/77/240048877.db2.gz FAVJXNMXSVDPRC-UHFFFAOYSA-N 1 0 305.403 3.472 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC(=O)OC(C)(C)C ZINC000449173445 240050821 /nfs/dbraw/zinc/05/08/21/240050821.db2.gz LAFABSQTPUREOV-ZDUSSCGKSA-N 1 0 322.405 3.237 20 5 DGBDRO COC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000449179019 240055638 /nfs/dbraw/zinc/05/56/38/240055638.db2.gz UXUCENYGBWDTIY-IUODEOHRSA-N 1 0 318.373 3.405 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1c[nH]c2ncccc12 ZINC000449210508 240069010 /nfs/dbraw/zinc/06/90/10/240069010.db2.gz UEWYUELASNTDAZ-CYBMUJFWSA-N 1 0 324.384 3.234 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000449285819 240109639 /nfs/dbraw/zinc/10/96/39/240109639.db2.gz SVMXIHKVRVUYIN-WMLDXEAASA-N 1 0 317.433 3.132 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000449294337 240115735 /nfs/dbraw/zinc/11/57/35/240115735.db2.gz YKBZMKMYBCIAQX-CQSZACIVSA-N 1 0 318.417 3.058 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC12CCOCC2 ZINC000449307384 240123375 /nfs/dbraw/zinc/12/33/75/240123375.db2.gz OZZCAWAWYAZTHW-RHSMWYFYSA-N 1 0 318.417 3.465 20 5 DGBDRO CCc1nc(C)c(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449338422 240140762 /nfs/dbraw/zinc/14/07/62/240140762.db2.gz GKSCRAFTSDKBPF-LLVKDONJSA-N 1 0 303.362 3.174 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1=CCCCC1 ZINC000449378782 240166923 /nfs/dbraw/zinc/16/69/23/240166923.db2.gz XWTGUYQEBGMFQA-CYBMUJFWSA-N 1 0 317.389 3.402 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(F)(F)F)CC1 ZINC000449322054 240130239 /nfs/dbraw/zinc/13/02/39/240130239.db2.gz OARMEOUNUXNMIL-JTQLQIEISA-N 1 0 302.296 3.458 20 5 DGBDRO CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000449500215 240247794 /nfs/dbraw/zinc/24/77/94/240247794.db2.gz MQHLDXBXKQMQQW-XHDPSFHLSA-N 1 0 312.797 3.495 20 5 DGBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000449507692 240255943 /nfs/dbraw/zinc/25/59/43/240255943.db2.gz FQMXHOQIQQPIBS-OCCSQVGLSA-N 1 0 300.424 3.035 20 5 DGBDRO CC(C)[C@H](CO)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000449514246 240259371 /nfs/dbraw/zinc/25/93/71/240259371.db2.gz VNOJNVHKWFFCBS-RYASHKCESA-N 1 0 320.433 3.487 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000449513249 240259459 /nfs/dbraw/zinc/25/94/59/240259459.db2.gz VPTKGPDRZHZSTC-WBVHZDCISA-N 1 0 308.422 3.282 20 5 DGBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449634580 240334428 /nfs/dbraw/zinc/33/44/28/240334428.db2.gz WEWCACROWAHPTL-XNJGSVPQSA-N 1 0 306.406 3.319 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000449739228 240393231 /nfs/dbraw/zinc/39/32/31/240393231.db2.gz JKFIXBPDZIJUCQ-AWEZNQCLSA-N 1 0 320.433 3.447 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)C2CCC2)o1 ZINC000449741690 240395550 /nfs/dbraw/zinc/39/55/50/240395550.db2.gz VXZVOLSZVCEOLG-MRXNPFEDSA-N 1 0 316.357 3.105 20 5 DGBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000171140716 432106390 /nfs/dbraw/zinc/10/63/90/432106390.db2.gz ZKIIRSMWJMDEDB-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO CC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000091929196 193127360 /nfs/dbraw/zinc/12/73/60/193127360.db2.gz MNDIQLNYEPWGOO-CYBMUJFWSA-N 1 0 314.389 3.227 20 5 DGBDRO Cc1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1C ZINC000451544412 241165472 /nfs/dbraw/zinc/16/54/72/241165472.db2.gz FIWGQTARTSQNGA-HNNXBMFYSA-N 1 0 314.389 3.016 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CC3(O)CCCC3)C2)cc1 ZINC000451552201 241172071 /nfs/dbraw/zinc/17/20/71/241172071.db2.gz WBAWNYMZKHHHET-OAHLLOKOSA-N 1 0 304.390 3.079 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000451594270 241183851 /nfs/dbraw/zinc/18/38/51/241183851.db2.gz DHVQKGZSSOLMCK-RDJZCZTQSA-N 1 0 308.422 3.282 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000451605900 241185614 /nfs/dbraw/zinc/18/56/14/241185614.db2.gz HERGFTRLZQWDSF-XJKSGUPXSA-N 1 0 312.385 3.113 20 5 DGBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000451605892 241186876 /nfs/dbraw/zinc/18/68/76/241186876.db2.gz HERGFTRLZQWDSF-CJNGLKHVSA-N 1 0 312.385 3.113 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451613997 241188502 /nfs/dbraw/zinc/18/85/02/241188502.db2.gz ODNGYMVRDLGYSI-RZAIGCCYSA-N 1 0 318.417 3.351 20 5 DGBDRO CCn1cc([C@@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000451885764 241264103 /nfs/dbraw/zinc/26/41/03/241264103.db2.gz FQXWBJDUURTJDN-SNVBAGLBSA-N 1 0 308.769 3.315 20 5 DGBDRO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000451974535 241291623 /nfs/dbraw/zinc/29/16/23/241291623.db2.gz SNFRQCHFSZWIGN-MRXNPFEDSA-N 1 0 318.352 3.076 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2[C@H](C)CCC2(C)C)cccc1[N+](=O)[O-] ZINC000452008411 241294993 /nfs/dbraw/zinc/29/49/93/241294993.db2.gz OYDZOJBDZWKEKM-GFCCVEGCSA-N 1 0 319.405 3.495 20 5 DGBDRO C[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCS1 ZINC000331683651 291391552 /nfs/dbraw/zinc/39/15/52/291391552.db2.gz WUJXNULUHPDLHI-GZBFAFLISA-N 1 0 324.450 3.150 20 5 DGBDRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000092224474 193176920 /nfs/dbraw/zinc/17/69/20/193176920.db2.gz ZVRZUDIPJMNDNN-IRXDYDNUSA-N 1 0 315.373 3.106 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181207747 432118799 /nfs/dbraw/zinc/11/87/99/432118799.db2.gz YQZYYORVFKISRJ-HIFRSBDPSA-N 1 0 319.405 3.035 20 5 DGBDRO C[C@@H]([NH2+]CCN1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000467839558 244008176 /nfs/dbraw/zinc/00/81/76/244008176.db2.gz NZCDDSYQHNJTCR-CQSZACIVSA-N 1 0 311.385 3.308 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000467858212 244009049 /nfs/dbraw/zinc/00/90/49/244009049.db2.gz GTCPBHALIHQPFF-YUDUHTQSSA-N 1 0 304.390 3.449 20 5 DGBDRO CC[C@@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000468626692 244056353 /nfs/dbraw/zinc/05/63/53/244056353.db2.gz HYKPPCANZLLOGX-HKBKRHGFSA-N 1 0 317.433 3.462 20 5 DGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468551043 244051896 /nfs/dbraw/zinc/05/18/96/244051896.db2.gz BYWJCCMXWNALHL-IJEWVQPXSA-N 1 0 308.422 3.303 20 5 DGBDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471813650 244252306 /nfs/dbraw/zinc/25/23/06/244252306.db2.gz ZVXUGUKFNNBXFA-NEPJUHHUSA-N 1 0 318.398 3.278 20 5 DGBDRO C/C=C\C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000471588376 244220688 /nfs/dbraw/zinc/22/06/88/244220688.db2.gz XQPWWPTZUMALPE-VYOLUMPPSA-N 1 0 318.417 3.223 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000119214821 284137614 /nfs/dbraw/zinc/13/76/14/284137614.db2.gz BSFQNLNAXGKUJE-ZDUSSCGKSA-N 1 0 323.824 3.166 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000093455273 193254357 /nfs/dbraw/zinc/25/43/57/193254357.db2.gz ARQCFXORQINSLT-MEQKGCOVSA-N 1 0 324.380 3.200 20 5 DGBDRO CC[C@@H]1COCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120420746 284169085 /nfs/dbraw/zinc/16/90/85/284169085.db2.gz PFHDNJIZRBGTCR-CQSZACIVSA-N 1 0 316.357 3.466 20 5 DGBDRO Cc1ccsc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534405 193266060 /nfs/dbraw/zinc/26/60/60/193266060.db2.gz KHCBLMAYYFJDPB-LBPRGKRZSA-N 1 0 318.402 3.046 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093742100 193298173 /nfs/dbraw/zinc/29/81/73/193298173.db2.gz BNRBFSXPHXXKPU-MRXNPFEDSA-N 1 0 305.422 3.067 20 5 DGBDRO COc1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000122128468 284213594 /nfs/dbraw/zinc/21/35/94/284213594.db2.gz ZWVFMIGQIWQTHL-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[C@H]1C ZINC000488059538 245141354 /nfs/dbraw/zinc/14/13/54/245141354.db2.gz BYILMPXJJSMNBS-WBMJQRKESA-N 1 0 310.369 3.371 20 5 DGBDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282519536 217057832 /nfs/dbraw/zinc/05/78/32/217057832.db2.gz SYKIPMYRCYVIQF-LBPRGKRZSA-N 1 0 319.405 3.094 20 5 DGBDRO COCc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282814011 217268763 /nfs/dbraw/zinc/26/87/63/217268763.db2.gz ADNHLNDEUMWOGG-UHFFFAOYSA-N 1 0 304.346 3.009 20 5 DGBDRO COc1cc(NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000266393833 205314853 /nfs/dbraw/zinc/31/48/53/205314853.db2.gz OJUNYFVONJHESC-UHFFFAOYSA-N 1 0 307.394 3.278 20 5 DGBDRO CC(C)n1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000282973855 217360836 /nfs/dbraw/zinc/36/08/36/217360836.db2.gz IVOYFYLLCMTGEZ-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N(C)C)nc2)cccc1[N+](=O)[O-] ZINC000268768830 432131227 /nfs/dbraw/zinc/13/12/27/432131227.db2.gz OWBMNPDMNIORGJ-ZDUSSCGKSA-N 1 0 314.389 3.215 20 5 DGBDRO CCOCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000181491421 432131986 /nfs/dbraw/zinc/13/19/86/432131986.db2.gz HACOGSYZDBGUOB-UHFFFAOYSA-N 1 0 304.346 3.323 20 5 DGBDRO Cc1c(C[NH2+][C@H](CCO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000181491729 432132676 /nfs/dbraw/zinc/13/26/76/432132676.db2.gz IBVBPGAEMCZIEF-MRXNPFEDSA-N 1 0 306.406 3.324 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000293926209 223772397 /nfs/dbraw/zinc/77/23/97/223772397.db2.gz HBAGSOFXWPBIJL-CPUCHLNUSA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000267612453 206173233 /nfs/dbraw/zinc/17/32/33/206173233.db2.gz GZGAWHRVLOCUQX-RDTXWAMCSA-N 1 0 314.385 3.462 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000023991315 182371546 /nfs/dbraw/zinc/37/15/46/182371546.db2.gz YJHTVKJUNUQFQE-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000268817927 432141039 /nfs/dbraw/zinc/14/10/39/432141039.db2.gz WJRZRGYMEAPHIA-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)s1 ZINC000190314019 432143695 /nfs/dbraw/zinc/14/36/95/432143695.db2.gz ZXJJJZZLHBKQES-ZDUSSCGKSA-N 1 0 318.402 3.300 20 5 DGBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(CO)c2)cccc1[N+](=O)[O-] ZINC000268866225 432144431 /nfs/dbraw/zinc/14/44/31/432144431.db2.gz JAOQJSSUHZDBQQ-ZDUSSCGKSA-N 1 0 300.358 3.246 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000301725431 229855116 /nfs/dbraw/zinc/85/51/16/229855116.db2.gz POOFKHOEEHCMAJ-GJZGRUSLSA-N 1 0 321.421 3.205 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H]1CCC[NH2+]C1 ZINC000044502849 183415640 /nfs/dbraw/zinc/41/56/40/183415640.db2.gz YKMWZIPZJKLPHR-SECBINFHSA-N 1 0 303.284 3.025 20 5 DGBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000273990287 211246943 /nfs/dbraw/zinc/24/69/43/211246943.db2.gz ROKLMGKBJXQYQL-UHFFFAOYSA-N 1 0 315.295 3.287 20 5 DGBDRO CCC[C@@H]([NH2+]Cc1cc(C)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000284533021 218068348 /nfs/dbraw/zinc/06/83/48/218068348.db2.gz XCZISGHNKYLCJH-MRXNPFEDSA-N 1 0 302.378 3.268 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000106469574 194218593 /nfs/dbraw/zinc/21/85/93/194218593.db2.gz WLOARXXBWKCNIO-NSHDSACASA-N 1 0 302.330 3.160 20 5 DGBDRO COCC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC000285231644 218342804 /nfs/dbraw/zinc/34/28/04/218342804.db2.gz PHPVOLVOFPXPNA-BXUZGUMPSA-N 1 0 319.361 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285317624 218379329 /nfs/dbraw/zinc/37/93/29/218379329.db2.gz IRGODPKZFWNKRA-INIZCTEOSA-N 1 0 300.362 3.088 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000245568831 284826324 /nfs/dbraw/zinc/82/63/24/284826324.db2.gz ABFXPFCXFPSBCT-RMHZUWNSSA-N 1 0 318.417 3.462 20 5 DGBDRO CCC[C@H]([NH2+]CCn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000268855395 207023018 /nfs/dbraw/zinc/02/30/18/207023018.db2.gz ZCCXAUKYDIGHLQ-INIZCTEOSA-N 1 0 302.378 3.231 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000268918473 207085750 /nfs/dbraw/zinc/08/57/50/207085750.db2.gz OHAVPKBNZPXSQZ-NSHDSACASA-N 1 0 319.327 3.048 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268977039 252787078 /nfs/dbraw/zinc/78/70/78/252787078.db2.gz JSZQEEVPVOAPCZ-RHSMWYFYSA-N 1 0 314.385 3.412 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000119766001 195033468 /nfs/dbraw/zinc/03/34/68/195033468.db2.gz YKMGBFZMJRYXJP-HNNXBMFYSA-N 1 0 300.362 3.013 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000336866743 253014104 /nfs/dbraw/zinc/01/41/04/253014104.db2.gz ODAGZWLEROGSJA-IUODEOHRSA-N 1 0 314.341 3.085 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000336853242 253007580 /nfs/dbraw/zinc/00/75/80/253007580.db2.gz FYDZAXIFNNKISS-NEPJUHHUSA-N 1 0 300.362 3.038 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000336875259 253017212 /nfs/dbraw/zinc/01/72/12/253017212.db2.gz DCGQZJBHMRMUBW-LRDDRELGSA-N 1 0 323.441 3.042 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337240769 253068387 /nfs/dbraw/zinc/06/83/87/253068387.db2.gz FNRRKOSHPZNMOG-HNNXBMFYSA-N 1 0 319.405 3.434 20 5 DGBDRO COCC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000337410886 253110586 /nfs/dbraw/zinc/11/05/86/253110586.db2.gz WSONIHBMKTVREO-CQSZACIVSA-N 1 0 306.406 3.322 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337413751 253110955 /nfs/dbraw/zinc/11/09/55/253110955.db2.gz OMOCQHCSYNCWHI-YPMHNXCESA-N 1 0 318.295 3.374 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000249876623 285090523 /nfs/dbraw/zinc/09/05/23/285090523.db2.gz GXKUWJBAALGLDI-YDHLFZDLSA-N 1 0 322.405 3.195 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC(F)F ZINC000337872650 253187299 /nfs/dbraw/zinc/18/72/99/253187299.db2.gz SBMBUJAHFUOIJZ-DHZHZOJOSA-N 1 0 300.305 3.217 20 5 DGBDRO Cc1ccc2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cn2c1 ZINC000338380643 253277739 /nfs/dbraw/zinc/27/77/39/253277739.db2.gz MGLLUZPJSSEUOM-UHFFFAOYSA-N 1 0 324.384 3.225 20 5 DGBDRO COCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000338381530 253277998 /nfs/dbraw/zinc/27/79/98/253277998.db2.gz NLHOQDJEDSKAGY-HNNXBMFYSA-N 1 0 310.394 3.144 20 5 DGBDRO COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC000338350330 253271106 /nfs/dbraw/zinc/27/11/06/253271106.db2.gz NYJSLRBKOVNEPQ-OAHLLOKOSA-N 1 0 310.394 3.144 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289638556 285112118 /nfs/dbraw/zinc/11/21/18/285112118.db2.gz SFXWVVUXBBZFKH-JKSUJKDBSA-N 1 0 302.374 3.128 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000286396987 218964262 /nfs/dbraw/zinc/96/42/62/218964262.db2.gz ZWGYOXNFFUOAJP-SMDDNHRTSA-N 1 0 323.368 3.231 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000338687545 253334581 /nfs/dbraw/zinc/33/45/81/253334581.db2.gz IHMAJXUJBFHCKK-CYBMUJFWSA-N 1 0 307.394 3.280 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000338697326 253335958 /nfs/dbraw/zinc/33/59/58/253335958.db2.gz MKNIYWFIDJTOCW-UHFFFAOYSA-N 1 0 309.410 3.158 20 5 DGBDRO C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000158708621 197295442 /nfs/dbraw/zinc/29/54/42/197295442.db2.gz RVTCRGJZWPVPQZ-GFCCVEGCSA-N 1 0 323.393 3.112 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)nc1 ZINC000247306862 285134974 /nfs/dbraw/zinc/13/49/74/285134974.db2.gz HCWNIQBIJBAFSG-CYBMUJFWSA-N 1 0 318.402 3.300 20 5 DGBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc([N+](=O)[O-])ccc4Cl)[C@H]1[C@H]3C2 ZINC000286510279 219026860 /nfs/dbraw/zinc/02/68/60/219026860.db2.gz MUHCZPSUAKKJRE-VSGLDEAGSA-N 1 0 322.792 3.103 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cc1[N+](=O)[O-] ZINC000120278546 195133859 /nfs/dbraw/zinc/13/38/59/195133859.db2.gz FBERLYPPKNRYBR-CJNGLKHVSA-N 1 0 317.389 3.450 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC([NH2+]CC2CC2)CC1 ZINC000236047629 285154050 /nfs/dbraw/zinc/15/40/50/285154050.db2.gz ROXCWZQMAFFXLG-UHFFFAOYSA-N 1 0 309.797 3.217 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CCO ZINC000271188657 208703540 /nfs/dbraw/zinc/70/35/40/208703540.db2.gz XDTMDOLZHZLYMJ-QWHCGFSZSA-N 1 0 312.435 3.074 20 5 DGBDRO Cn1cc(Cl)cc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000120278266 195134767 /nfs/dbraw/zinc/13/47/67/195134767.db2.gz QJMMRDUNHCTNDZ-UHFFFAOYSA-N 1 0 323.780 3.098 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)cc1[N+](=O)[O-] ZINC000120279019 195134901 /nfs/dbraw/zinc/13/49/01/195134901.db2.gz FBERLYPPKNRYBR-XJKSGUPXSA-N 1 0 317.389 3.450 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128377330 285155570 /nfs/dbraw/zinc/15/55/70/285155570.db2.gz KKRCRZOZLVLZHA-GDBMZVCRSA-N 1 0 318.352 3.204 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000286357479 285156469 /nfs/dbraw/zinc/15/64/69/285156469.db2.gz WXGNTCJHSKIWJP-SWLSCSKDSA-N 1 0 319.380 3.187 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151936273 285160191 /nfs/dbraw/zinc/16/01/91/285160191.db2.gz NEIIVNYPBMWVPH-ZBFHGGJFSA-N 1 0 316.357 3.276 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CCO)c1ccccc1 ZINC000344437938 285160302 /nfs/dbraw/zinc/16/03/02/285160302.db2.gz IZZHCRJXVBTTQM-BHMZLHOFSA-N 1 0 312.369 3.321 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000271455272 285161206 /nfs/dbraw/zinc/16/12/06/285161206.db2.gz GPPWYCMCRUAYEZ-NWANDNLSSA-N 1 0 306.431 3.401 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000302745058 285163513 /nfs/dbraw/zinc/16/35/13/285163513.db2.gz FIROHISIHOJTBL-UHFFFAOYSA-N 1 0 303.406 3.297 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269414147 285163904 /nfs/dbraw/zinc/16/39/04/285163904.db2.gz JWSBEVAVVZJCII-DZGCQCFKSA-N 1 0 301.390 3.048 20 5 DGBDRO CC(=O)c1cc(N(C)CC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000342940576 254077756 /nfs/dbraw/zinc/07/77/56/254077756.db2.gz HIICQDWEDPDGRK-UHFFFAOYSA-N 1 0 321.421 3.352 20 5 DGBDRO CC(=O)c1cc(NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000343051282 254091382 /nfs/dbraw/zinc/09/13/82/254091382.db2.gz FZKOQGFHNRJZTF-MRXNPFEDSA-N 1 0 319.405 3.330 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2CCCC[C@H]2F)n1 ZINC000414316184 285169813 /nfs/dbraw/zinc/16/98/13/285169813.db2.gz UBPIDGALQUXIJG-SYQHCUMBSA-N 1 0 310.373 3.145 20 5 DGBDRO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)(C)c1ccccc1 ZINC000343382646 254134801 /nfs/dbraw/zinc/13/48/01/254134801.db2.gz GEZIXALIHPMONX-OAHLLOKOSA-N 1 0 316.405 3.174 20 5 DGBDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000343798221 254190089 /nfs/dbraw/zinc/19/00/89/254190089.db2.gz XTDAAOGDGMLVHX-CXAGYDPISA-N 1 0 314.389 3.402 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000344054587 254218958 /nfs/dbraw/zinc/21/89/58/254218958.db2.gz JGQYTADDWSYSKP-KGLIPLIRSA-N 1 0 317.389 3.210 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344066163 254220090 /nfs/dbraw/zinc/22/00/90/254220090.db2.gz PTDZOSRBZPCUCG-OLZOCXBDSA-N 1 0 319.405 3.290 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255848690 285182198 /nfs/dbraw/zinc/18/21/98/285182198.db2.gz VKMRFIZLRIGSPS-QKIRZYONSA-N 1 0 317.433 3.272 20 5 DGBDRO C[C@@H]1C[C@@H](CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000344274043 254249133 /nfs/dbraw/zinc/24/91/33/254249133.db2.gz QEXJRBTVNDQDAD-VASHYATMSA-N 1 0 304.390 3.403 20 5 DGBDRO Cn1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000344613489 254288903 /nfs/dbraw/zinc/28/89/03/254288903.db2.gz POTOOFBMYHFRRD-UHFFFAOYSA-N 1 0 311.341 3.483 20 5 DGBDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000344311123 254254758 /nfs/dbraw/zinc/25/47/58/254254758.db2.gz WGYJOEJEDQSFDD-ZDUSSCGKSA-N 1 0 322.336 3.064 20 5 DGBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])nc2)[NH+](C)C)cc1 ZINC000344434710 254270663 /nfs/dbraw/zinc/27/06/63/254270663.db2.gz LRJUGQLBVPJGNU-HNNXBMFYSA-N 1 0 300.362 3.013 20 5 DGBDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000344699428 254296976 /nfs/dbraw/zinc/29/69/76/254296976.db2.gz NSFLKTUXGWLBEJ-CQSZACIVSA-N 1 0 306.387 3.004 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCC(F)(F)F ZINC000344815513 254308021 /nfs/dbraw/zinc/30/80/21/254308021.db2.gz BVIVAZMIJBPZHJ-YRNVUSSQSA-N 1 0 318.295 3.167 20 5 DGBDRO COc1cc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)ccn1 ZINC000344872708 254312690 /nfs/dbraw/zinc/31/26/90/254312690.db2.gz MELFZUBSZMVGCG-JYRVWZFOSA-N 1 0 313.357 3.192 20 5 DGBDRO COC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000156735230 197136961 /nfs/dbraw/zinc/13/69/61/197136961.db2.gz QXZXINQCGYFOJX-UKRRQHHQSA-N 1 0 318.373 3.486 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154961236 197008332 /nfs/dbraw/zinc/00/83/32/197008332.db2.gz BVNJNUBNDNGYEN-DOMZBBRYSA-N 1 0 303.362 3.141 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000287323675 285240199 /nfs/dbraw/zinc/24/01/99/285240199.db2.gz FPXXWLIIOWNELR-FMKPAKJESA-N 1 0 306.406 3.178 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC[C@H]1C ZINC000287323678 285240200 /nfs/dbraw/zinc/24/02/00/285240200.db2.gz FPXXWLIIOWNELR-IIAWOOMASA-N 1 0 306.406 3.178 20 5 DGBDRO COc1ccc(C[NH2+]CC(C)(C)c2ccccn2)cc1[N+](=O)[O-] ZINC000294811732 224237855 /nfs/dbraw/zinc/23/78/55/224237855.db2.gz NWLUAFSWLAKHNQ-UHFFFAOYSA-N 1 0 315.373 3.066 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000271562756 209016681 /nfs/dbraw/zinc/01/66/81/209016681.db2.gz PWIQAHYBEBHBBX-WCQYABFASA-N 1 0 316.361 3.408 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccccc2CO)cccc1[N+](=O)[O-] ZINC000305126364 285291239 /nfs/dbraw/zinc/29/12/39/285291239.db2.gz LHZOFORJGYFWAL-CYBMUJFWSA-N 1 0 300.358 3.246 20 5 DGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000322167882 285306557 /nfs/dbraw/zinc/30/65/57/285306557.db2.gz NMGAPEBTWBEIRQ-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO CCC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000120932837 195266177 /nfs/dbraw/zinc/26/61/77/195266177.db2.gz UFBCFJVOUYXYHC-ZDUSSCGKSA-N 1 0 320.389 3.473 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289661884 221137258 /nfs/dbraw/zinc/13/72/58/221137258.db2.gz UJQJMLCJZHETET-DLBZAZTESA-N 1 0 316.401 3.171 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000294997369 224367333 /nfs/dbraw/zinc/36/73/33/224367333.db2.gz ZNRZMAFNCHRBRV-UONOGXRCSA-N 1 0 316.405 3.483 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000353451435 285358703 /nfs/dbraw/zinc/35/87/03/285358703.db2.gz XAKYLCHYBLGJAP-AWEZNQCLSA-N 1 0 321.421 3.418 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000121690884 195330621 /nfs/dbraw/zinc/33/06/21/195330621.db2.gz YADKSCDOPPCTKQ-ZACQAIPSSA-N 1 0 316.401 3.075 20 5 DGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000121762808 195342381 /nfs/dbraw/zinc/34/23/81/195342381.db2.gz JIGBUXXNGUGXAA-NSHDSACASA-N 1 0 300.314 3.174 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160655289 292819278 /nfs/dbraw/zinc/81/92/78/292819278.db2.gz MHBOBGPCRWGTCG-UNEWFSDZSA-N 1 0 306.406 3.057 20 5 DGBDRO COc1ccc(C[NH2+]CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000126175907 195817445 /nfs/dbraw/zinc/81/74/45/195817445.db2.gz DZOUYEKCOWTTKI-UHFFFAOYSA-N 1 0 300.358 3.326 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000470179194 533382952 /nfs/dbraw/zinc/38/29/52/533382952.db2.gz UDCDELSQIFBUJQ-MQJVFOOVSA-N 1 0 304.390 3.497 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000468616106 533385437 /nfs/dbraw/zinc/38/54/37/533385437.db2.gz AZSACAYUEQYWFP-UTZFPLNVSA-N 1 0 304.390 3.139 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000470183037 533406739 /nfs/dbraw/zinc/40/67/39/533406739.db2.gz OXPAOKPWAPDTQT-POPWGMBXSA-N 1 0 304.390 3.233 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(CO)c1 ZINC000468643391 533409132 /nfs/dbraw/zinc/40/91/32/533409132.db2.gz PRQWDTFIDUCTLC-RIYZIHGNSA-N 1 0 312.369 3.280 20 5 DGBDRO CO[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295860603 533414447 /nfs/dbraw/zinc/41/44/47/533414447.db2.gz FBKSQDLWQSZWHI-MRXNPFEDSA-N 1 0 322.405 3.111 20 5 DGBDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000294923391 533546263 /nfs/dbraw/zinc/54/62/63/533546263.db2.gz BCXFJJUWXIZRCD-ZDUSSCGKSA-N 1 0 318.373 3.496 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000413187546 533663780 /nfs/dbraw/zinc/66/37/80/533663780.db2.gz RNKICHPOAWDGQB-DGCLKSJQSA-N 1 0 312.373 3.180 20 5 DGBDRO CSC1(CNc2ccc([N+](=O)[O-])c(C)c2)CC[NH+](C)CC1 ZINC000357581858 285794364 /nfs/dbraw/zinc/79/43/64/285794364.db2.gz OBZXJSZZUXWHIT-UHFFFAOYSA-N 1 0 309.435 3.143 20 5 DGBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000451591255 285867562 /nfs/dbraw/zinc/86/75/62/285867562.db2.gz NGNKFQWIWQBOJL-CFVMTHIKSA-N 1 0 320.389 3.367 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000595040957 400086102 /nfs/dbraw/zinc/08/61/02/400086102.db2.gz NNUCBQPNZDQFMA-NHYWBVRUSA-N 1 0 310.394 3.050 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000595046830 400087950 /nfs/dbraw/zinc/08/79/50/400087950.db2.gz BMBUZSJFPSPLTQ-VXGBXAGGSA-N 1 0 310.419 3.397 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595047550 400088570 /nfs/dbraw/zinc/08/85/70/400088570.db2.gz TUCNUHAEGFHAFX-XQQFMLRXSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000595050084 400089414 /nfs/dbraw/zinc/08/94/14/400089414.db2.gz FURSLGAEVHFVQW-XZJROXQQSA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000595051756 400090481 /nfs/dbraw/zinc/09/04/81/400090481.db2.gz NRXVKMXFQGPBRE-STQMWFEESA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000595054421 400091364 /nfs/dbraw/zinc/09/13/64/400091364.db2.gz NRFIGBOINRAVSP-VIFPVBQESA-N 1 0 300.305 3.299 20 5 DGBDRO Cc1c([C@@H](C)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595057532 400094188 /nfs/dbraw/zinc/09/41/88/400094188.db2.gz ZIVMICHOUHALGF-KGLIPLIRSA-N 1 0 305.422 3.427 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cccc1[N+](=O)[O-] ZINC000595071873 400098852 /nfs/dbraw/zinc/09/88/52/400098852.db2.gz ROOWIXHVSUHBAW-OEOGXHJNSA-N 1 0 324.446 3.244 20 5 DGBDRO CCSC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595091301 400102949 /nfs/dbraw/zinc/10/29/49/400102949.db2.gz GVOFYMXWCDWODG-OLZOCXBDSA-N 1 0 324.450 3.150 20 5 DGBDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595102862 400106381 /nfs/dbraw/zinc/10/63/81/400106381.db2.gz KDHGWERVITVQJR-IJLUTSLNSA-N 1 0 318.398 3.497 20 5 DGBDRO COc1cccc2c1CC[C@@H]2[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910176 400082218 /nfs/dbraw/zinc/08/22/18/400082218.db2.gz KEADDWMXNXPKOA-KRWDZBQOSA-N 1 0 312.369 3.423 20 5 DGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000090910187 400082472 /nfs/dbraw/zinc/08/24/72/400082472.db2.gz OGFLRNRTWZRHHT-LBPRGKRZSA-N 1 0 314.341 3.217 20 5 DGBDRO COc1cccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000090909961 400082956 /nfs/dbraw/zinc/08/29/56/400082956.db2.gz WXXNVXXQSMDEFC-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCO1 ZINC000595036992 400084883 /nfs/dbraw/zinc/08/48/83/400084883.db2.gz ZCUHLYYIHWEXHP-UGFHNGPFSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000595037354 400085194 /nfs/dbraw/zinc/08/51/94/400085194.db2.gz FLUHFUMSXLHDQB-SECBINFHSA-N 1 0 300.305 3.299 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595513361 400173517 /nfs/dbraw/zinc/17/35/17/400173517.db2.gz UPAAVMXVZCKWIR-HUUCEWRRSA-N 1 0 308.353 3.171 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000595510036 400173582 /nfs/dbraw/zinc/17/35/82/400173582.db2.gz JHLPXTGSQZTRCZ-INMHGKMJSA-N 1 0 322.380 3.249 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH+]1CCCCC1 ZINC000091454634 400120010 /nfs/dbraw/zinc/12/00/10/400120010.db2.gz ZJQTUTBIGJJTSX-CQSZACIVSA-N 1 0 321.421 3.275 20 5 DGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000066816167 400122232 /nfs/dbraw/zinc/12/22/32/400122232.db2.gz OUMOSXWAQHBNOV-UHFFFAOYSA-N 1 0 314.389 3.078 20 5 DGBDRO CC[C@H](C)[NH2+][C@H](CNc1cccnc1[N+](=O)[O-])c1ccco1 ZINC000588067115 400185577 /nfs/dbraw/zinc/18/55/77/400185577.db2.gz WHJZHJOWEWXEOU-WCQYABFASA-N 1 0 304.350 3.124 20 5 DGBDRO Cc1noc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595323499 400127157 /nfs/dbraw/zinc/12/71/57/400127157.db2.gz YXIVVWAECQBRKT-MFKMUULPSA-N 1 0 319.336 3.408 20 5 DGBDRO CC(C)c1ccc(CN[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600678327 400127979 /nfs/dbraw/zinc/12/79/79/400127979.db2.gz IXZPLSIEWBWMQT-MRXNPFEDSA-N 1 0 303.406 3.092 20 5 DGBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000609671493 400185855 /nfs/dbraw/zinc/18/58/55/400185855.db2.gz XEQMVVDKJPIXPN-WMLDXEAASA-N 1 0 321.421 3.144 20 5 DGBDRO CCc1nc(C)c([C@H](C)N(C)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000595330619 400128687 /nfs/dbraw/zinc/12/86/87/400128687.db2.gz MGMQUPKSSUXQBN-JTQLQIEISA-N 1 0 324.406 3.412 20 5 DGBDRO CCc1nn(C)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000091742254 400134770 /nfs/dbraw/zinc/13/47/70/400134770.db2.gz LVQMJLCCPRVMFJ-GFCCVEGCSA-N 1 0 302.378 3.050 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccsc2Cl)cc1 ZINC000312752092 400135735 /nfs/dbraw/zinc/13/57/35/400135735.db2.gz XMHYNDWNHBJDAX-UHFFFAOYSA-N 1 0 312.778 3.478 20 5 DGBDRO COc1ccc(COc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000315635269 400146805 /nfs/dbraw/zinc/14/68/05/400146805.db2.gz VIQBDZHBDYHFAC-NSHDSACASA-N 1 0 302.330 3.202 20 5 DGBDRO CCN(CC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000600775328 400149293 /nfs/dbraw/zinc/14/92/93/400149293.db2.gz NBDBHLJSSYWICM-UHFFFAOYSA-N 1 0 305.403 3.104 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000092621873 400187239 /nfs/dbraw/zinc/18/72/39/400187239.db2.gz AFZSGEBPQBOBJY-CYBMUJFWSA-N 1 0 307.394 3.137 20 5 DGBDRO Cc1noc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595450501 400154886 /nfs/dbraw/zinc/15/48/86/400154886.db2.gz NWUXYCHFBJPEHM-CABCVRRESA-N 1 0 315.373 3.392 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1-c1cccc([C@H]2C[NH2+]CCO2)c1 ZINC000600790589 400155455 /nfs/dbraw/zinc/15/54/55/400155455.db2.gz SNITWNLPOWFAFB-MRXNPFEDSA-N 1 0 302.305 3.062 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C12CCCCC2 ZINC000595455020 400156676 /nfs/dbraw/zinc/15/66/76/400156676.db2.gz QYUCDKPVJPFXSQ-KGLIPLIRSA-N 1 0 323.393 3.109 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000318243443 400157636 /nfs/dbraw/zinc/15/76/36/400157636.db2.gz JHODPCNOYOTSLB-NUEKZKHPSA-N 1 0 304.390 3.196 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000595458579 400157951 /nfs/dbraw/zinc/15/79/51/400157951.db2.gz KHZSBVLJRJICCZ-MRXNPFEDSA-N 1 0 308.353 3.125 20 5 DGBDRO Cc1noc(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595475846 400162619 /nfs/dbraw/zinc/16/26/19/400162619.db2.gz PHVUHNFFHFXQIH-MRXNPFEDSA-N 1 0 319.336 3.194 20 5 DGBDRO COc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000015298002 400163445 /nfs/dbraw/zinc/16/34/45/400163445.db2.gz YYGKPEMGZWDLQL-UHFFFAOYSA-N 1 0 316.357 3.244 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[N@H+](C)C1CC1 ZINC000092649562 400188138 /nfs/dbraw/zinc/18/81/38/400188138.db2.gz WIMWLVBMWANALN-LLVKDONJSA-N 1 0 300.362 3.038 20 5 DGBDRO CCC[NH+]1CCC(Nc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000320991765 400167940 /nfs/dbraw/zinc/16/79/40/400167940.db2.gz YPOHKLZLPMVJOB-UHFFFAOYSA-N 1 0 307.394 3.198 20 5 DGBDRO CCc1ccc([C@@H]2CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)cc1 ZINC000595503446 400170964 /nfs/dbraw/zinc/17/09/64/400170964.db2.gz VPEZVAUCMZBJPF-OAHLLOKOSA-N 1 0 315.373 3.443 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595687491 400227363 /nfs/dbraw/zinc/22/73/63/400227363.db2.gz AUYZTVGMCQAPAE-XYPHTWIQSA-N 1 0 304.390 3.323 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000610248001 400229239 /nfs/dbraw/zinc/22/92/39/400229239.db2.gz BSOASNNCLPUSGK-STQMWFEESA-N 1 0 300.362 3.259 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000610247999 400229452 /nfs/dbraw/zinc/22/94/52/400229452.db2.gz BSOASNNCLPUSGK-OLZOCXBDSA-N 1 0 300.362 3.259 20 5 DGBDRO CC1(C)[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000610271493 400231078 /nfs/dbraw/zinc/23/10/78/400231078.db2.gz PBQAPESZNYRURS-YNNMMRDRSA-N 1 0 316.401 3.401 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000595705218 400236311 /nfs/dbraw/zinc/23/63/11/400236311.db2.gz DZDHHBCWAPHCKN-BLLLJJGKSA-N 1 0 312.369 3.421 20 5 DGBDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000093503328 400247979 /nfs/dbraw/zinc/24/79/79/400247979.db2.gz KOCSIJRUNJBSLE-BETUJISGSA-N 1 0 314.389 3.083 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601151162 400249766 /nfs/dbraw/zinc/24/97/66/400249766.db2.gz QPJPWRDTVXYYPA-NOZJJQNGSA-N 1 0 320.311 3.120 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](CCF)C3)nc2c1 ZINC000595755758 400250999 /nfs/dbraw/zinc/25/09/99/400250999.db2.gz PSXROCQXUQRRAJ-LLVKDONJSA-N 1 0 307.325 3.308 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000588232830 400203945 /nfs/dbraw/zinc/20/39/45/400203945.db2.gz UKKIYWOYKABQJX-XNRPHZJLSA-N 1 0 322.405 3.338 20 5 DGBDRO [NH3+]CCN(Cc1cscc1Cl)c1ccccc1[N+](=O)[O-] ZINC000589191364 400272382 /nfs/dbraw/zinc/27/23/82/400272382.db2.gz LXPYYEMEGPZVEO-UHFFFAOYSA-N 1 0 311.794 3.275 20 5 DGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595856434 400281876 /nfs/dbraw/zinc/28/18/76/400281876.db2.gz CIZLPIINMQBMGS-YOGCLGLASA-N 1 0 300.362 3.234 20 5 DGBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595867453 400283800 /nfs/dbraw/zinc/28/38/00/400283800.db2.gz NPSLGGFZHPKXRI-UONOGXRCSA-N 1 0 319.405 3.211 20 5 DGBDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000601289899 400285346 /nfs/dbraw/zinc/28/53/46/400285346.db2.gz VXJYQYHTTQTOJB-GXTWGEPZSA-N 1 0 310.394 3.195 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(F)c1 ZINC000595911653 400293805 /nfs/dbraw/zinc/29/38/05/400293805.db2.gz VEFFOYZTESFCID-CALCHBBNSA-N 1 0 320.364 3.127 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]2C[NH+]2CCCCC2)cs1 ZINC000069032894 400306022 /nfs/dbraw/zinc/30/60/22/400306022.db2.gz FFLJCXWFAJDNHB-AWEZNQCLSA-N 1 0 309.435 3.107 20 5 DGBDRO Cc1occc1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610805234 400309384 /nfs/dbraw/zinc/30/93/84/400309384.db2.gz COPAJBBZOYEFHM-NSHDSACASA-N 1 0 317.345 3.003 20 5 DGBDRO CCC[C@H]([NH2+]Cc1ccnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000596093690 400315753 /nfs/dbraw/zinc/31/57/53/400315753.db2.gz DOOAZIIOUTWZBT-INIZCTEOSA-N 1 0 302.378 3.442 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccnn2CC)cc1[N+](=O)[O-] ZINC000596092614 400315867 /nfs/dbraw/zinc/31/58/67/400315867.db2.gz BYHMYXRVQPCWRU-GFCCVEGCSA-N 1 0 318.377 3.061 20 5 DGBDRO COc1cc(NC[C@H](C)[N@H+](C)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596111042 400319595 /nfs/dbraw/zinc/31/95/95/400319595.db2.gz VNERMTOWAXXUDT-VIFPVBQESA-N 1 0 313.785 3.151 20 5 DGBDRO COc1cc(NCC2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596106733 400319675 /nfs/dbraw/zinc/31/96/75/400319675.db2.gz USNDGRHNGAFMAX-UHFFFAOYSA-N 1 0 313.785 3.011 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)c(F)c1 ZINC000610481042 400262591 /nfs/dbraw/zinc/26/25/91/400262591.db2.gz LQQFVKHNYJOIFH-UHFFFAOYSA-N 1 0 316.332 3.040 20 5 DGBDRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000611346701 400382814 /nfs/dbraw/zinc/38/28/14/400382814.db2.gz FDJIKDOZXOCUOM-UHFFFAOYSA-N 1 0 308.378 3.196 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000596336639 400384730 /nfs/dbraw/zinc/38/47/30/400384730.db2.gz QYFPXXYMMOYQPM-GFCCVEGCSA-N 1 0 314.389 3.428 20 5 DGBDRO CN(C)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000589938071 400339368 /nfs/dbraw/zinc/33/93/68/400339368.db2.gz YZWHBJYEFRGCJI-UHFFFAOYSA-N 1 0 314.389 3.081 20 5 DGBDRO COc1ccc(C[NH+]2CC(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000611177950 400355364 /nfs/dbraw/zinc/35/53/64/400355364.db2.gz FPDOMLCJANZACR-UHFFFAOYSA-N 1 0 312.369 3.278 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1OC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000596242378 400358338 /nfs/dbraw/zinc/35/83/38/400358338.db2.gz PDYAJNYQYWKCSI-AWEZNQCLSA-N 1 0 308.378 3.245 20 5 DGBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ccc([N+](=O)[O-])nc1)CC2 ZINC000596256061 400362584 /nfs/dbraw/zinc/36/25/84/400362584.db2.gz XTHWNDXCWDTDHJ-UHFFFAOYSA-N 1 0 318.421 3.081 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCCC1 ZINC000611248531 400364081 /nfs/dbraw/zinc/36/40/81/400364081.db2.gz ZXMPBBRDTQKIKQ-CYBMUJFWSA-N 1 0 324.446 3.360 20 5 DGBDRO CC[C@H](C[NH+]1CCCC1)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000611255860 400367031 /nfs/dbraw/zinc/36/70/31/400367031.db2.gz OMZAIFYUBUHVOW-LLVKDONJSA-N 1 0 311.357 3.029 20 5 DGBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@H+](CC3CC3)C2)ccc2ncccc21 ZINC000112080872 400370390 /nfs/dbraw/zinc/37/03/90/400370390.db2.gz AZVUYXWIAZUYPO-ZDUSSCGKSA-N 1 0 312.373 3.039 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718887 400400051 /nfs/dbraw/zinc/40/00/51/400400051.db2.gz FGAABFLTAGJMKC-HZPDHXFCSA-N 1 0 317.433 3.464 20 5 DGBDRO Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000072839596 400407785 /nfs/dbraw/zinc/40/77/85/400407785.db2.gz HXTYAVGPFZEAIQ-UHFFFAOYSA-N 1 0 319.386 3.279 20 5 DGBDRO CCCCC[N@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116402303 400410045 /nfs/dbraw/zinc/41/00/45/400410045.db2.gz ILDQWMMKRWBTSR-UHFFFAOYSA-N 1 0 300.786 3.233 20 5 DGBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000590723794 400423505 /nfs/dbraw/zinc/42/35/05/400423505.db2.gz RLHVANIOACSALK-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1ccnc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596480413 400425796 /nfs/dbraw/zinc/42/57/96/400425796.db2.gz YVYXHOXJNMGMDD-CYBMUJFWSA-N 1 0 304.394 3.117 20 5 DGBDRO CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000117344884 400416205 /nfs/dbraw/zinc/41/62/05/400416205.db2.gz UVFTYRIZPBPBCA-ZDUSSCGKSA-N 1 0 320.389 3.473 20 5 DGBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756395 400428650 /nfs/dbraw/zinc/42/86/50/400428650.db2.gz UPRBOWONAZAKFF-CJNGLKHVSA-N 1 0 319.361 3.029 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000596561429 400445229 /nfs/dbraw/zinc/44/52/29/400445229.db2.gz AXUFNFRQPKWIKS-UHFFFAOYSA-N 1 0 307.369 3.268 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000596542186 400439832 /nfs/dbraw/zinc/43/98/32/400439832.db2.gz KEASODHFGCWYCT-UHFFFAOYSA-N 1 0 305.382 3.003 20 5 DGBDRO O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000073588105 400457849 /nfs/dbraw/zinc/45/78/49/400457849.db2.gz RURCJEQDSCIXAX-UHFFFAOYSA-N 1 0 312.373 3.198 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000602574529 400501589 /nfs/dbraw/zinc/50/15/89/400501589.db2.gz ASBPQOUPVCSWDP-HAQNSBGRSA-N 1 0 318.295 3.007 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CCC(F)(F)CC3)nc2c1 ZINC000602577771 400503123 /nfs/dbraw/zinc/50/31/23/400503123.db2.gz AVFZSWLQPOGSKA-UHFFFAOYSA-N 1 0 311.288 3.404 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602582639 400504103 /nfs/dbraw/zinc/50/41/03/400504103.db2.gz QUZXRRNLZQEXFR-ABAIWWIYSA-N 1 0 319.361 3.029 20 5 DGBDRO CC1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602589674 400506245 /nfs/dbraw/zinc/50/62/45/400506245.db2.gz BADZSVNEAGFSLV-UHFFFAOYSA-N 1 0 305.197 3.451 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CS1 ZINC000602598132 400508376 /nfs/dbraw/zinc/50/83/76/400508376.db2.gz BVNNEYNEYJIPHY-BXKDBHETSA-N 1 0 300.811 3.274 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000596844681 400510384 /nfs/dbraw/zinc/51/03/84/400510384.db2.gz ZBJDBXFGDIDOGT-UHFFFAOYSA-N 1 0 322.409 3.145 20 5 DGBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602610349 400510694 /nfs/dbraw/zinc/51/06/94/400510694.db2.gz TWIVCLJGQGEWLJ-NEPJUHHUSA-N 1 0 319.361 3.031 20 5 DGBDRO Cc1cnc([C@H](C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000602610833 400510995 /nfs/dbraw/zinc/51/09/95/400510995.db2.gz AMLPIZSVACEKEO-LLVKDONJSA-N 1 0 305.403 3.296 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000617867810 400471022 /nfs/dbraw/zinc/47/10/22/400471022.db2.gz FLEJXCTZXYIFKN-SBSDFTTDSA-N 1 0 303.406 3.024 20 5 DGBDRO C[NH+](C)CCc1ccc(NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602489585 400478312 /nfs/dbraw/zinc/47/83/12/400478312.db2.gz AKWSRJZYPDEPGE-UHFFFAOYSA-N 1 0 313.401 3.354 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591061959 400480361 /nfs/dbraw/zinc/48/03/61/400480361.db2.gz PNPAEDPKKVXMBS-OCCSQVGLSA-N 1 0 317.389 3.044 20 5 DGBDRO CC[C@@H](C)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602561931 400497018 /nfs/dbraw/zinc/49/70/18/400497018.db2.gz RRDUARIXPDCXNI-KGLIPLIRSA-N 1 0 320.437 3.373 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000602565027 400498207 /nfs/dbraw/zinc/49/82/07/400498207.db2.gz YYWTUTQYWDHUIB-VNHYZAJKSA-N 1 0 319.405 3.001 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000602790562 400574250 /nfs/dbraw/zinc/57/42/50/400574250.db2.gz IEWFFJJSYIUFMV-MRXNPFEDSA-N 1 0 316.405 3.477 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444790 400527406 /nfs/dbraw/zinc/52/74/06/400527406.db2.gz WWEKFAIXBZDSCR-NEPJUHHUSA-N 1 0 309.797 3.074 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000602677648 400535953 /nfs/dbraw/zinc/53/59/53/400535953.db2.gz XOCSJCSTRPGHEI-ZDUSSCGKSA-N 1 0 318.295 3.128 20 5 DGBDRO CC/C=C/C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602675287 400536034 /nfs/dbraw/zinc/53/60/34/400536034.db2.gz LMHJZLNXGHAUMK-ONEGZZNKSA-N 1 0 305.197 3.475 20 5 DGBDRO CC[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582670 400543001 /nfs/dbraw/zinc/54/30/01/400543001.db2.gz SSEBEHDJMKUTEI-ZBFHGGJFSA-N 1 0 303.406 3.310 20 5 DGBDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000591668410 400549063 /nfs/dbraw/zinc/54/90/63/400549063.db2.gz MMDKKLUCHFZCFS-GFCCVEGCSA-N 1 0 323.824 3.212 20 5 DGBDRO CCCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000046773578 400579771 /nfs/dbraw/zinc/57/97/71/400579771.db2.gz NJYJDFRHKMFBDJ-UHFFFAOYSA-N 1 0 316.361 3.409 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(C3CC3)CCC2)n1 ZINC000618572276 400626713 /nfs/dbraw/zinc/62/67/13/400626713.db2.gz FCUGNSKOXPEMEV-HUUCEWRRSA-N 1 0 318.421 3.445 20 5 DGBDRO CC[NH+](CC)C[C@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000076004753 400626879 /nfs/dbraw/zinc/62/68/79/400626879.db2.gz UNRPCGILSXIUFP-LSDHHAIUSA-N 1 0 305.422 3.320 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccccc1Cl ZINC000602826161 400585652 /nfs/dbraw/zinc/58/56/52/400585652.db2.gz KSAPKSQASKMKCU-SNVBAGLBSA-N 1 0 308.769 3.104 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000597203962 400587104 /nfs/dbraw/zinc/58/71/04/400587104.db2.gz AZIBEFYUSFTBLO-RXEWJAMOSA-N 1 0 316.401 3.235 20 5 DGBDRO C[C@@H](O)C1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000597234189 400595227 /nfs/dbraw/zinc/59/52/27/400595227.db2.gz HWTASXMDTBHQIN-LLVKDONJSA-N 1 0 318.398 3.326 20 5 DGBDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000597242824 400598706 /nfs/dbraw/zinc/59/87/06/400598706.db2.gz WVOVTOVXHAAKRI-RDJZCZTQSA-N 1 0 320.389 3.115 20 5 DGBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CO1 ZINC000592378996 400641457 /nfs/dbraw/zinc/64/14/57/400641457.db2.gz JPJNYYILRJPZPU-AAEUAGOBSA-N 1 0 302.330 3.122 20 5 DGBDRO CC[C@@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592427658 400648643 /nfs/dbraw/zinc/64/86/43/400648643.db2.gz NNCJEYKMITWTQM-ZBFHGGJFSA-N 1 0 305.422 3.277 20 5 DGBDRO CC1(C)C[NH2+]CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592427664 400649393 /nfs/dbraw/zinc/64/93/93/400649393.db2.gz OHASMSDQMIEHJI-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000076685447 400667762 /nfs/dbraw/zinc/66/77/62/400667762.db2.gz VTVIBNHUJVSCHP-MRXNPFEDSA-N 1 0 312.373 3.066 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)C[NH+]1CCCC1 ZINC000076850456 400676791 /nfs/dbraw/zinc/67/67/91/400676791.db2.gz BBHMJRRXASFWKJ-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)c2ccncc21 ZINC000077764591 400746319 /nfs/dbraw/zinc/74/63/19/400746319.db2.gz ZSDPVKRTFBJKQI-UHFFFAOYSA-N 1 0 300.362 3.041 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593073660 400753376 /nfs/dbraw/zinc/75/33/76/400753376.db2.gz VWQGEKXDIBVNKY-UHFFFAOYSA-N 1 0 312.316 3.225 20 5 DGBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000604433439 400775827 /nfs/dbraw/zinc/77/58/27/400775827.db2.gz AJOLSOKSPDKPGS-UHFFFAOYSA-N 1 0 318.402 3.128 20 5 DGBDRO C[C@@H]([NH2+]CC[S@@](=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000358153307 285984021 /nfs/dbraw/zinc/98/40/21/285984021.db2.gz IEAKQHPMORCOTJ-MCMMXHMISA-N 1 0 318.398 3.053 20 5 DGBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000078783734 400825691 /nfs/dbraw/zinc/82/56/91/400825691.db2.gz JBAPNURQGZAAMJ-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[NH+](C)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054774118 400837547 /nfs/dbraw/zinc/83/75/47/400837547.db2.gz JSDFNPRAJZCPRE-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO C[C@@H](O)CC(C)(C)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599050377 400939729 /nfs/dbraw/zinc/93/97/29/400939729.db2.gz MEFTUFBHLJPCGJ-LLVKDONJSA-N 1 0 303.362 3.352 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@H]1CCCOC1)C1CC1 ZINC000599056065 400941655 /nfs/dbraw/zinc/94/16/55/400941655.db2.gz JFXNUCHLRPVSEB-RHSMWYFYSA-N 1 0 318.417 3.322 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599084635 400954966 /nfs/dbraw/zinc/95/49/66/400954966.db2.gz DDZLHSIHTHRCND-YLVFBTJISA-N 1 0 320.389 3.212 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000599062850 400944515 /nfs/dbraw/zinc/94/45/15/400944515.db2.gz VPOBUDASBSSWSZ-AAEUAGOBSA-N 1 0 312.373 3.180 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000599068298 400948129 /nfs/dbraw/zinc/94/81/29/400948129.db2.gz MFBMWPDYFMMSEZ-DZGCQCFKSA-N 1 0 324.421 3.441 20 5 DGBDRO CC(C)CC[C@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599067543 400948534 /nfs/dbraw/zinc/94/85/34/400948534.db2.gz FPKYCPBRMILVIS-PBHICJAKSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)COCC1CC1 ZINC000593682117 400891068 /nfs/dbraw/zinc/89/10/68/400891068.db2.gz MNWGYKBOYPOQSP-ZIAGYGMSSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC2(CCC2)C1 ZINC000593694052 400893700 /nfs/dbraw/zinc/89/37/00/400893700.db2.gz IOZCGGUICRWEHB-LBPRGKRZSA-N 1 0 317.389 3.234 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599074484 400951986 /nfs/dbraw/zinc/95/19/86/400951986.db2.gz MTZCLWIGNZOTLV-MAKQCAJESA-N 1 0 306.406 3.317 20 5 DGBDRO C[C@H](COCC1CC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000593722512 400899033 /nfs/dbraw/zinc/89/90/33/400899033.db2.gz STEOMMMZECBKJH-PXAZEXFGSA-N 1 0 304.390 3.377 20 5 DGBDRO CCC[NH+]1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000079830091 400899649 /nfs/dbraw/zinc/89/96/49/400899649.db2.gz YZKUKDYIGKOLNX-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073957 400952482 /nfs/dbraw/zinc/95/24/82/400952482.db2.gz ODQQIYYFMPAQIX-GUYCJALGSA-N 1 0 303.406 3.262 20 5 DGBDRO C[C@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000619844460 400910193 /nfs/dbraw/zinc/91/01/93/400910193.db2.gz ASQMEFDOHLSRHI-CHWSQXEVSA-N 1 0 306.410 3.158 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@H](OC3CCC3)C2)cccc1[N+](=O)[O-] ZINC000594026110 400952788 /nfs/dbraw/zinc/95/27/88/400952788.db2.gz CWQQHOHGFRPFCD-INIZCTEOSA-N 1 0 304.390 3.437 20 5 DGBDRO COc1cccc([C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)OC)c1 ZINC000598988982 400921663 /nfs/dbraw/zinc/92/16/63/400921663.db2.gz XFLXOKDHSZDNRH-QGZVFWFLSA-N 1 0 316.357 3.081 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000598998854 400925485 /nfs/dbraw/zinc/92/54/85/400925485.db2.gz JAUAYYMUIGEQNZ-XTKXOIQPSA-N 1 0 315.417 3.215 20 5 DGBDRO CCc1ccc([C@@H]([NH2+]CC2COC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599082154 400954014 /nfs/dbraw/zinc/95/40/14/400954014.db2.gz RNGHBSQOOVAGCX-KRWDZBQOSA-N 1 0 316.357 3.076 20 5 DGBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc2cnccc21 ZINC000599019481 400928932 /nfs/dbraw/zinc/92/89/32/400928932.db2.gz MFSXUBXXACJEAL-GDBMZVCRSA-N 1 0 312.373 3.182 20 5 DGBDRO C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000599023807 400931083 /nfs/dbraw/zinc/93/10/83/400931083.db2.gz LREVBSUNAZWCCR-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc(C)ccc1C ZINC000599043114 400936301 /nfs/dbraw/zinc/93/63/01/400936301.db2.gz UYRNGEUYRHDHII-MRXNPFEDSA-N 1 0 302.378 3.149 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000599165842 400982233 /nfs/dbraw/zinc/98/22/33/400982233.db2.gz UTWBJRUXXFWRRS-AWEZNQCLSA-N 1 0 304.394 3.035 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000599090613 400957280 /nfs/dbraw/zinc/95/72/80/400957280.db2.gz ANGIDFVNLAFVMD-DTZQCDIJSA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])nc1)[N@H+](C)Cc1ccccc1 ZINC000080671622 400978032 /nfs/dbraw/zinc/97/80/32/400978032.db2.gz MBAMLSOCMRVBDO-AWEZNQCLSA-N 1 0 314.389 3.312 20 5 DGBDRO CCO[C@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000599312910 401018548 /nfs/dbraw/zinc/01/85/48/401018548.db2.gz YTTMCCUJCCOUDL-QGZVFWFLSA-N 1 0 304.390 3.374 20 5 DGBDRO Cc1ccccc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000058562952 401060025 /nfs/dbraw/zinc/06/00/25/401060025.db2.gz XBINZWGZUJELIE-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000599551895 401075424 /nfs/dbraw/zinc/07/54/24/401075424.db2.gz UEFFOKLVOZMSHD-UHFFFAOYSA-N 1 0 300.305 3.095 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCSCC(F)(F)F ZINC000594501237 401082530 /nfs/dbraw/zinc/08/25/30/401082530.db2.gz JJRDXPGUOLETMK-LLVKDONJSA-N 1 0 320.336 3.467 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1OCCc2ccccc21 ZINC000594502012 401082664 /nfs/dbraw/zinc/08/26/64/401082664.db2.gz GQEMRSNSEFALKX-PKOBYXMFSA-N 1 0 324.380 3.486 20 5 DGBDRO CC(C)c1ccc(C(=O)N(C)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000615243018 401040796 /nfs/dbraw/zinc/04/07/96/401040796.db2.gz RANQEXFMNZTRFF-UHFFFAOYSA-N 1 0 321.421 3.132 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CC2)CC1 ZINC000599673058 401108198 /nfs/dbraw/zinc/10/81/98/401108198.db2.gz LSIFEYURCIZSFT-CYBMUJFWSA-N 1 0 317.389 3.188 20 5 DGBDRO C[C@]12CCCC[C@H]1C[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599676086 401110695 /nfs/dbraw/zinc/11/06/95/401110695.db2.gz YCXWYRWGTDVRQU-GUYCJALGSA-N 1 0 317.389 3.188 20 5 DGBDRO CSCC[C@@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083199218 401115006 /nfs/dbraw/zinc/11/50/06/401115006.db2.gz LWTIVCAUYMOBER-SNVBAGLBSA-N 1 0 309.391 3.309 20 5 DGBDRO COc1cccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594603902 401128339 /nfs/dbraw/zinc/12/83/39/401128339.db2.gz WIQZQZRGXPAYLE-TZMCWYRMSA-N 1 0 305.378 3.032 20 5 DGBDRO CCC(CC)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272520370 401138486 /nfs/dbraw/zinc/13/84/86/401138486.db2.gz KXDPYOSLAPYVSP-INIZCTEOSA-N 1 0 316.405 3.444 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC000273841691 401141168 /nfs/dbraw/zinc/14/11/68/401141168.db2.gz JKMKBGVDWJSWRU-MRXNPFEDSA-N 1 0 300.362 3.019 20 5 DGBDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594516112 401092701 /nfs/dbraw/zinc/09/27/01/401092701.db2.gz BDAADSFQCDIQDO-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO CC(=O)c1ccc(NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000059402331 401093022 /nfs/dbraw/zinc/09/30/22/401093022.db2.gz HJGZBPWLLCDYRC-CYBMUJFWSA-N 1 0 319.405 3.331 20 5 DGBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000599624782 401094239 /nfs/dbraw/zinc/09/42/39/401094239.db2.gz YNVMSPLOZMVYRK-LLVKDONJSA-N 1 0 300.305 3.093 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000281424381 401153659 /nfs/dbraw/zinc/15/36/59/401153659.db2.gz ZCIARNOGCKWANP-JFIYKMOQSA-N 1 0 318.417 3.419 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000615835325 401160688 /nfs/dbraw/zinc/16/06/88/401160688.db2.gz IWEBOUKARWVKDI-LTBFUDJGSA-N 1 0 304.390 3.093 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)c2cccc(CO)c2)cccc1[N+](=O)[O-] ZINC000358324219 286031956 /nfs/dbraw/zinc/03/19/56/286031956.db2.gz OMWRVBGNMXUYBY-CYBMUJFWSA-N 1 0 300.358 3.246 20 5 DGBDRO CC(C)n1ccnc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000594920801 401189218 /nfs/dbraw/zinc/18/92/18/401189218.db2.gz HOXXHBVCKPQGGQ-UHFFFAOYSA-N 1 0 316.405 3.485 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594956582 401206849 /nfs/dbraw/zinc/20/68/49/401206849.db2.gz LPFZTRNHZSCSOH-PMGBHYCQSA-N 1 0 303.406 3.070 20 5 DGBDRO COc1ccc(C[NH2+]CCC2(CSC)CC2)cc1[N+](=O)[O-] ZINC000594964047 401211726 /nfs/dbraw/zinc/21/17/26/401211726.db2.gz UOABFOYQPQKXMG-UHFFFAOYSA-N 1 0 310.419 3.226 20 5 DGBDRO Cn1ncc(C2CC2)c1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000594985694 401218884 /nfs/dbraw/zinc/21/88/84/401218884.db2.gz NBXOLEGNNSEDNL-GQCTYLIASA-N 1 0 312.373 3.009 20 5 DGBDRO CCCN1CC[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000594991919 401220646 /nfs/dbraw/zinc/22/06/46/401220646.db2.gz NKPZNWNQKZKIIA-SCOADAFUSA-N 1 0 303.406 3.072 20 5 DGBDRO CO[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000594995709 401221959 /nfs/dbraw/zinc/22/19/59/401221959.db2.gz TYLVRRUOOWEYAN-XBMZPMPPSA-N 1 0 304.390 3.403 20 5 DGBDRO O=[N+]([O-])c1sccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000063256182 401184648 /nfs/dbraw/zinc/18/46/48/401184648.db2.gz XSTQSZCUYNYVJP-LBPRGKRZSA-N 1 0 307.375 3.498 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)C[NH+]1CCCCC1 ZINC000595008962 401229166 /nfs/dbraw/zinc/22/91/66/401229166.db2.gz WTPQWMILVKVRIT-KGLIPLIRSA-N 1 0 321.421 3.128 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccccc1 ZINC000595009555 401229644 /nfs/dbraw/zinc/22/96/44/401229644.db2.gz YEPPIVVKLABZIJ-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C ZINC000595009364 401229697 /nfs/dbraw/zinc/22/96/97/401229697.db2.gz RKJDZMUTMPNRLK-AAEUAGOBSA-N 1 0 310.394 3.051 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000595013981 401232098 /nfs/dbraw/zinc/23/20/98/401232098.db2.gz TVZVHTHWHCRSPY-LRDDRELGSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOC1CCCC1 ZINC000595016679 401233155 /nfs/dbraw/zinc/23/31/55/401233155.db2.gz RLGCONRTOCKEAX-GFCCVEGCSA-N 1 0 308.378 3.213 20 5 DGBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090068100 401253405 /nfs/dbraw/zinc/25/34/05/401253405.db2.gz RCNHMHOBNTYEOP-UHFFFAOYSA-N 1 0 312.373 3.163 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000090078895 401254144 /nfs/dbraw/zinc/25/41/44/401254144.db2.gz ZASXSFDZNLXZGF-BONVTDFDSA-N 1 0 322.311 3.257 20 5 DGBDRO COc1cc(C[N@H+](C)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000065961980 401287958 /nfs/dbraw/zinc/28/79/58/401287958.db2.gz ZNKXAKYXPNKQIM-UHFFFAOYSA-N 1 0 318.320 3.293 20 5 DGBDRO Cc1cccc(NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000358390101 286048541 /nfs/dbraw/zinc/04/85/41/286048541.db2.gz WXPKHJVZCGEFBX-AWEZNQCLSA-N 1 0 314.389 3.369 20 5 DGBDRO CN(CCC[NH+]1CCCC1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000358691590 286125410 /nfs/dbraw/zinc/12/54/10/286125410.db2.gz XSMNKAGQEJZKKX-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(C(=O)CC)cc2[N+](=O)[O-])C1 ZINC000358932182 286191078 /nfs/dbraw/zinc/19/10/78/286191078.db2.gz KOORYIZAHGLFFA-ZDUSSCGKSA-N 1 0 319.405 3.331 20 5 DGBDRO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000268799194 292247807 /nfs/dbraw/zinc/24/78/07/292247807.db2.gz XVQTXAOJKTXCFY-NUEKZKHPSA-N 1 0 303.406 3.181 20 5 DGBDRO CCC(=O)c1ccc(NC2(C[NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000359289567 286276415 /nfs/dbraw/zinc/27/64/15/286276415.db2.gz KXXQJFVZXFOVTH-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO CO[C@]1(C)CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000359748026 286373520 /nfs/dbraw/zinc/37/35/20/286373520.db2.gz QFHXEMUDOVZCHZ-QGZVFWFLSA-N 1 0 315.373 3.457 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245523721 292296629 /nfs/dbraw/zinc/29/66/29/292296629.db2.gz NBBQQSAEMFXABE-GOEBONIOSA-N 1 0 303.406 3.134 20 5 DGBDRO COc1cccc(NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000360969612 286565722 /nfs/dbraw/zinc/56/57/22/286565722.db2.gz IDHJKUFSVZNLCP-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ncc(C)cc1[N+](=O)[O-])c1ccco1 ZINC000361261601 286638043 /nfs/dbraw/zinc/63/80/43/286638043.db2.gz HDGVTWALXOPWGY-CQSZACIVSA-N 1 0 318.377 3.386 20 5 DGBDRO Cc1cnc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000408241116 165950689 /nfs/dbraw/zinc/95/06/89/165950689.db2.gz SQWHBIIZNBAHQX-KKUMJFAQSA-N 1 0 318.421 3.140 20 5 DGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000191480357 165252553 /nfs/dbraw/zinc/25/25/53/165252553.db2.gz BWRWIWKWUWAXOA-QGZVFWFLSA-N 1 0 314.385 3.284 20 5 DGBDRO C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000261956588 165771427 /nfs/dbraw/zinc/77/14/27/165771427.db2.gz OCTTYVCGWXHEQT-ZJUUUORDSA-N 1 0 317.311 3.414 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C[NH2+]1 ZINC000262139655 165789803 /nfs/dbraw/zinc/78/98/03/165789803.db2.gz ZAWWVKVBPPHJOW-CHWSQXEVSA-N 1 0 315.373 3.037 20 5 DGBDRO Cc1ccc(CN(CCO)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000181962745 432152593 /nfs/dbraw/zinc/15/25/93/432152593.db2.gz MMWNIHYSWAXYQP-UHFFFAOYSA-N 1 0 318.348 3.037 20 5 DGBDRO C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000129458610 196050116 /nfs/dbraw/zinc/05/01/16/196050116.db2.gz AMDVZJCQLNXUFQ-KRWDZBQOSA-N 1 0 316.357 3.202 20 5 DGBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000129509868 196053667 /nfs/dbraw/zinc/05/36/67/196053667.db2.gz MFOUCYHRECWNAF-QGZVFWFLSA-N 1 0 316.357 3.202 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000246842962 432172090 /nfs/dbraw/zinc/17/20/90/432172090.db2.gz CFJAEFSWEFTVPU-HUUCEWRRSA-N 1 0 305.422 3.286 20 5 DGBDRO C[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269686893 432196987 /nfs/dbraw/zinc/19/69/87/432196987.db2.gz GRWMZTFFLVDPBV-GUYCJALGSA-N 1 0 300.358 3.321 20 5 DGBDRO Cc1c([C@H](C)[NH2+]Cc2cccc3c2OCO3)cccc1[N+](=O)[O-] ZINC000130860608 196116505 /nfs/dbraw/zinc/11/65/05/196116505.db2.gz IKFXKOYFFLUJHY-LBPRGKRZSA-N 1 0 314.341 3.483 20 5 DGBDRO C[C@@H](N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247166727 432207391 /nfs/dbraw/zinc/20/73/91/432207391.db2.gz UKVGOHOFXIBDSJ-QLFBSQMISA-N 1 0 305.422 3.366 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C2OCCO2)CC1 ZINC000182738352 432225005 /nfs/dbraw/zinc/22/50/05/432225005.db2.gz MQKUUWWCKGLKDI-CYBMUJFWSA-N 1 0 320.389 3.049 20 5 DGBDRO CCN(CC)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000131452530 196169791 /nfs/dbraw/zinc/16/97/91/196169791.db2.gz XAFBVKXZDZIZGM-MRXNPFEDSA-N 1 0 317.389 3.361 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000132550633 196264459 /nfs/dbraw/zinc/26/44/59/196264459.db2.gz YRLQBDQDNGNOEU-WCQYABFASA-N 1 0 312.460 3.402 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)O1 ZINC000296683379 226118774 /nfs/dbraw/zinc/11/87/74/226118774.db2.gz HAMFHCTWKMKCIY-JRKPZEMJSA-N 1 0 318.295 3.269 20 5 DGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(C)C ZINC000291089263 222128051 /nfs/dbraw/zinc/12/80/51/222128051.db2.gz PCOWNFABGXOKPS-UHFFFAOYSA-N 1 0 308.378 3.329 20 5 DGBDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000297417951 227138601 /nfs/dbraw/zinc/13/86/01/227138601.db2.gz UMTKPKHZURBPFD-QWRGUYRKSA-N 1 0 300.362 3.413 20 5 DGBDRO C[C@H]([NH2+]CC[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000299563566 229212859 /nfs/dbraw/zinc/21/28/59/229212859.db2.gz GUZOHJCXCIMZHW-GUYCJALGSA-N 1 0 300.358 3.369 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301752614 229870461 /nfs/dbraw/zinc/87/04/61/229870461.db2.gz VPSFUZGILVHQBD-ZDUSSCGKSA-N 1 0 324.812 3.320 20 5 DGBDRO Cc1cc(N[C@H](C)CC[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000302036341 230051749 /nfs/dbraw/zinc/05/17/49/230051749.db2.gz UWNASPRKLYLYHJ-LLVKDONJSA-N 1 0 302.378 3.204 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000413067895 230125881 /nfs/dbraw/zinc/12/58/81/230125881.db2.gz XHRLWTPXGVNCQD-KBPBESRZSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000413067897 230126037 /nfs/dbraw/zinc/12/60/37/230126037.db2.gz XHRLWTPXGVNCQD-KGLIPLIRSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1cc(NCC2(CO)CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302150736 230126456 /nfs/dbraw/zinc/12/64/56/230126456.db2.gz LWQJCOVXQJJTDO-UHFFFAOYSA-N 1 0 301.346 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)c(OC(F)F)c1 ZINC000302164665 230137262 /nfs/dbraw/zinc/13/72/62/230137262.db2.gz QSPXFGJSWAOPEJ-UHFFFAOYSA-N 1 0 315.320 3.094 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+]1CCCCCC1 ZINC000302391551 230232816 /nfs/dbraw/zinc/23/28/16/230232816.db2.gz JJZDLEBZWPHAQE-AWEZNQCLSA-N 1 0 321.421 3.418 20 5 DGBDRO Cc1cccc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000302490419 230267825 /nfs/dbraw/zinc/26/78/25/230267825.db2.gz JVMNPEXGUXBHGS-HUUCEWRRSA-N 1 0 321.421 3.205 20 5 DGBDRO Cc1cc(N[C@H]2C[C@H](O)C2(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302543863 230291627 /nfs/dbraw/zinc/29/16/27/230291627.db2.gz UFJXHEMXKOMWPK-GJZGRUSLSA-N 1 0 301.346 3.023 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCOC(F)F)CCC2 ZINC000194027348 263805577 /nfs/dbraw/zinc/80/55/77/263805577.db2.gz WBNBNQMUYPCKKM-ZDUSSCGKSA-N 1 0 300.305 3.191 20 5 DGBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000346347438 264015903 /nfs/dbraw/zinc/01/59/03/264015903.db2.gz XQJHBLFNSRPYFZ-ZDUSSCGKSA-N 1 0 322.405 3.492 20 5 DGBDRO COc1cc(C[N@@H+]2C[C@H](C)CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000346347651 264016083 /nfs/dbraw/zinc/01/60/83/264016083.db2.gz YJRBXFQJGJGWRD-GFCCVEGCSA-N 1 0 322.405 3.480 20 5 DGBDRO CCC[C@@H]([NH2+]Cc1cnc(C)[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000346803173 264100263 /nfs/dbraw/zinc/10/02/63/264100263.db2.gz FEFMOIYAXURVML-OAHLLOKOSA-N 1 0 316.361 3.030 20 5 DGBDRO C[C@@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000347177424 264170604 /nfs/dbraw/zinc/17/06/04/264170604.db2.gz XEQTVYXVYAMOOR-NSHDSACASA-N 1 0 312.797 3.374 20 5 DGBDRO C[C@@H](CO)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000347183976 264171254 /nfs/dbraw/zinc/17/12/54/264171254.db2.gz AYFYIGHUEHPUHV-NSHDSACASA-N 1 0 312.797 3.374 20 5 DGBDRO C[NH2+]C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000347219374 264178163 /nfs/dbraw/zinc/17/81/63/264178163.db2.gz SICLEIIAASOIRW-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000347232452 264179881 /nfs/dbraw/zinc/17/98/81/264179881.db2.gz MRSQCBCYXRQCOU-UHFFFAOYSA-N 1 0 316.361 3.017 20 5 DGBDRO COC(=O)C[C@@H]1CCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347356947 264205303 /nfs/dbraw/zinc/20/53/03/264205303.db2.gz DKWOSUDZSPACBD-GLNPCMGASA-N 1 0 318.373 3.026 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccncc1 ZINC000347374586 264208875 /nfs/dbraw/zinc/20/88/75/264208875.db2.gz WTKVHYPTAPCUSY-HNNXBMFYSA-N 1 0 301.346 3.239 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000348521139 264420089 /nfs/dbraw/zinc/42/00/89/264420089.db2.gz NMJBAUDIGSAWDD-DGCLKSJQSA-N 1 0 300.305 3.153 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C(C)C ZINC000349250653 264503532 /nfs/dbraw/zinc/50/35/32/264503532.db2.gz ZOGNXRNYZUEYQI-JSGCOSHPSA-N 1 0 312.435 3.072 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C(C)C ZINC000349250654 264503595 /nfs/dbraw/zinc/50/35/95/264503595.db2.gz ZOGNXRNYZUEYQI-OCCSQVGLSA-N 1 0 312.435 3.072 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccccc2)n1 ZINC000351494390 264710700 /nfs/dbraw/zinc/71/07/00/264710700.db2.gz RDNIEXXRWWVKQH-HZPDHXFCSA-N 1 0 314.389 3.107 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1C ZINC000352349731 265010012 /nfs/dbraw/zinc/01/00/12/265010012.db2.gz HBESUXRNUPOHND-QWHCGFSZSA-N 1 0 314.389 3.062 20 5 DGBDRO CC(C)c1ccc(CN2CCO[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000352388667 265028139 /nfs/dbraw/zinc/02/81/39/265028139.db2.gz TYBNKDQTDCMPPV-RDJZCZTQSA-N 1 0 304.390 3.472 20 5 DGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352618705 265107836 /nfs/dbraw/zinc/10/78/36/265107836.db2.gz SSLXIDAWJQAHEZ-GXTWGEPZSA-N 1 0 309.385 3.039 20 5 DGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352816705 265179964 /nfs/dbraw/zinc/17/99/64/265179964.db2.gz QAPXXUUQDSOBJE-DOMZBBRYSA-N 1 0 323.824 3.307 20 5 DGBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352872804 265209015 /nfs/dbraw/zinc/20/90/15/265209015.db2.gz FPAFTFMLJAHTCP-STQMWFEESA-N 1 0 310.369 3.249 20 5 DGBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC000352927012 265233750 /nfs/dbraw/zinc/23/37/50/265233750.db2.gz IWUMYOZCDHQZKV-HNNXBMFYSA-N 1 0 303.337 3.412 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cnn2ccccc12 ZINC000353040083 265276619 /nfs/dbraw/zinc/27/66/19/265276619.db2.gz SJJDUOKXVJDWNB-ALCCZGGFSA-N 1 0 308.341 3.046 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc2n[nH]cc2c1 ZINC000353090403 265292895 /nfs/dbraw/zinc/29/28/95/265292895.db2.gz ONZZVUSETSALCJ-JTQLQIEISA-N 1 0 314.320 3.461 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc2n[nH]cc2c1 ZINC000353090404 265293556 /nfs/dbraw/zinc/29/35/56/265293556.db2.gz ONZZVUSETSALCJ-SNVBAGLBSA-N 1 0 314.320 3.461 20 5 DGBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353225627 265352158 /nfs/dbraw/zinc/35/21/58/265352158.db2.gz MOSGONITVGTJNG-HWKANZROSA-N 1 0 308.341 3.274 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC(C)(C)C1 ZINC000353263130 265367505 /nfs/dbraw/zinc/36/75/05/265367505.db2.gz NCUDPMGPRUNNDN-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCOC(F)(F)F)cc1[N+](=O)[O-] ZINC000353344679 265395943 /nfs/dbraw/zinc/39/59/43/265395943.db2.gz VQKFCGIQPMGWJE-VIFPVBQESA-N 1 0 322.283 3.181 20 5 DGBDRO COCCOC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182794988 432229380 /nfs/dbraw/zinc/22/93/80/432229380.db2.gz DQMBCZRJZJOOGF-CQSZACIVSA-N 1 0 322.405 3.092 20 5 DGBDRO CC(C)c1ccc(CN2C[C@@H](C)[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000354436942 265772401 /nfs/dbraw/zinc/77/24/01/265772401.db2.gz DKVBWWXGVBSZII-ZIAGYGMSSA-N 1 0 305.422 3.243 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC(O)C1 ZINC000355365395 266051541 /nfs/dbraw/zinc/05/15/41/266051541.db2.gz MHZBOHGFVRPYSA-UHFFFAOYSA-N 1 0 318.398 3.278 20 5 DGBDRO CC(C)[NH+](CCN(C)c1ncc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000355579921 266122790 /nfs/dbraw/zinc/12/27/90/266122790.db2.gz SWTXBVHFDUVHNU-UHFFFAOYSA-N 1 0 314.817 3.198 20 5 DGBDRO C[C@H](C1CC1)N(Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355804750 266191190 /nfs/dbraw/zinc/19/11/90/266191190.db2.gz UOFHTEOTTPHHOE-CYBMUJFWSA-N 1 0 314.389 3.129 20 5 DGBDRO CC(C)[NH+](CCN(C)CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000356390711 266377773 /nfs/dbraw/zinc/37/77/73/266377773.db2.gz PJGHPPHPTLFXGU-UHFFFAOYSA-N 1 0 323.437 3.024 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000616059423 425094236 /nfs/dbraw/zinc/09/42/36/425094236.db2.gz XXKYMCQULAZCSQ-CQSZACIVSA-N 1 0 312.373 3.039 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000172862474 432241485 /nfs/dbraw/zinc/24/14/85/432241485.db2.gz RWCALBHFXNEFEL-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO CCOCCO[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182921344 432242139 /nfs/dbraw/zinc/24/21/39/432242139.db2.gz ZMCLYUMNOXOCSN-ZBFHGGJFSA-N 1 0 322.405 3.092 20 5 DGBDRO Cc1cc(NC[C@@H](C)[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359886305 271009570 /nfs/dbraw/zinc/00/95/70/271009570.db2.gz ZOKSSQNLXZEMQR-SECBINFHSA-N 1 0 305.300 3.284 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000369419270 271274190 /nfs/dbraw/zinc/27/41/90/271274190.db2.gz QWLLXNFIOSCWGR-LSDHHAIUSA-N 1 0 304.390 3.233 20 5 DGBDRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369669728 271308835 /nfs/dbraw/zinc/30/88/35/271308835.db2.gz DOBBNWXUKGGUFG-GFCCVEGCSA-N 1 0 318.352 3.329 20 5 DGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000183035559 432251633 /nfs/dbraw/zinc/25/16/33/432251633.db2.gz BMJFCPSILLIMLX-GHMZBOCLSA-N 1 0 304.350 3.169 20 5 DGBDRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000183058368 432254811 /nfs/dbraw/zinc/25/48/11/432254811.db2.gz KGDPCRUSECHLJH-WCQYABFASA-N 1 0 307.394 3.256 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCCn2cccn2)c2cc([N+](=O)[O-])ccc21 ZINC000279215774 273589081 /nfs/dbraw/zinc/58/90/81/273589081.db2.gz YPHRJZGMCRESID-INIZCTEOSA-N 1 0 314.389 3.194 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413080113 273638206 /nfs/dbraw/zinc/63/82/06/273638206.db2.gz FGHNHATZRFWXTL-SECBINFHSA-N 1 0 320.315 3.151 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000301751844 275036797 /nfs/dbraw/zinc/03/67/97/275036797.db2.gz BCVWXBGWMVVERT-SUMWQHHRSA-N 1 0 301.390 3.048 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000431701023 275040119 /nfs/dbraw/zinc/04/01/19/275040119.db2.gz ZJLAEZJBYYQEJB-SJLPKXTDSA-N 1 0 312.369 3.462 20 5 DGBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301848935 275516886 /nfs/dbraw/zinc/51/68/86/275516886.db2.gz CTAZGOVYITZLEJ-UHFFFAOYSA-N 1 0 314.389 3.457 20 5 DGBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000290847571 275550078 /nfs/dbraw/zinc/55/00/78/275550078.db2.gz IUXIRDYBFUBMFS-AWEZNQCLSA-N 1 0 312.797 3.135 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000433125435 275868786 /nfs/dbraw/zinc/86/87/86/275868786.db2.gz KBHVHJUAHFTZRB-OWCLPIDISA-N 1 0 304.390 3.210 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000279135043 275869421 /nfs/dbraw/zinc/86/94/21/275869421.db2.gz RILVGRVOAAOPQX-DQYPLSBCSA-N 1 0 318.417 3.458 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)nc1 ZINC000524684992 429631216 /nfs/dbraw/zinc/63/12/16/429631216.db2.gz PVYSSYOHPACSKS-HNNXBMFYSA-N 1 0 318.421 3.446 20 5 DGBDRO CCN(CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433121953 276131782 /nfs/dbraw/zinc/13/17/82/276131782.db2.gz TZQLYPOFTTZAGL-KRWDZBQOSA-N 1 0 317.433 3.391 20 5 DGBDRO CCOc1cccc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286294852 276381455 /nfs/dbraw/zinc/38/14/55/276381455.db2.gz JAOGZPRNNSOGRG-KGLIPLIRSA-N 1 0 319.405 3.057 20 5 DGBDRO CC[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000302142706 276497525 /nfs/dbraw/zinc/49/75/25/276497525.db2.gz FWWFOFXILUWPDE-GXTWGEPZSA-N 1 0 315.373 3.455 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC(C)CC1 ZINC000468637288 276823593 /nfs/dbraw/zinc/82/35/93/276823593.db2.gz HSBCXAHCGDIADH-VBKFSLOCSA-N 1 0 317.433 3.320 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000530542728 430119678 /nfs/dbraw/zinc/11/96/78/430119678.db2.gz CARZPCBKSTVFGC-CYBMUJFWSA-N 1 0 314.389 3.285 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000432333665 277084460 /nfs/dbraw/zinc/08/44/60/277084460.db2.gz CWYYWZZKGMMLFE-WCQYABFASA-N 1 0 309.797 3.169 20 5 DGBDRO C[NH2+]CCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000435369326 277270680 /nfs/dbraw/zinc/27/06/80/277270680.db2.gz DNRNNWSHFATQCS-UHFFFAOYSA-N 1 0 323.780 3.159 20 5 DGBDRO COCCC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193030282 277489390 /nfs/dbraw/zinc/48/93/90/277489390.db2.gz JNXLEDYADCCHQR-INIZCTEOSA-N 1 0 304.390 3.379 20 5 DGBDRO CO[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000450766984 277658733 /nfs/dbraw/zinc/65/87/33/277658733.db2.gz TZZWQVMXALLQNM-PIGZYNQJSA-N 1 0 315.373 3.313 20 5 DGBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000610715948 430564863 /nfs/dbraw/zinc/56/48/63/430564863.db2.gz IXGIHIFETBVYNV-CQSZACIVSA-N 1 0 314.389 3.429 20 5 DGBDRO C[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180435360 278255222 /nfs/dbraw/zinc/25/52/22/278255222.db2.gz KUAJCQXMJJUJIR-IHRRRGAJSA-N 1 0 319.405 3.035 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)c1ccccn1 ZINC000449396606 278298629 /nfs/dbraw/zinc/29/86/29/278298629.db2.gz ZJPDKRCVWIKADV-AWEZNQCLSA-N 1 0 313.401 3.488 20 5 DGBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000261988268 278313560 /nfs/dbraw/zinc/31/35/60/278313560.db2.gz SOIDKUBEXBNHHX-NXEZZACHSA-N 1 0 317.311 3.177 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000449181500 288059868 /nfs/dbraw/zinc/05/98/68/288059868.db2.gz HUCQPJIYHOQRPN-BBRMVZONSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000193525392 279035594 /nfs/dbraw/zinc/03/55/94/279035594.db2.gz JWNLFMVAYRIXCA-SCLBCKFNSA-N 1 0 319.408 3.258 20 5 DGBDRO C[C@H](CN1CCCCC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447529744 279303366 /nfs/dbraw/zinc/30/33/66/279303366.db2.gz MLPCUTBJPWVJEG-KDOFPFPSSA-N 1 0 317.433 3.436 20 5 DGBDRO CCCO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000108394727 431140072 /nfs/dbraw/zinc/14/00/72/431140072.db2.gz ZBOCPZFWIXPNGK-MRXNPFEDSA-N 1 0 322.405 3.385 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccncc1F ZINC000449309290 279382985 /nfs/dbraw/zinc/38/29/85/279382985.db2.gz CVPPLANMEUICOS-VXGBXAGGSA-N 1 0 303.337 3.411 20 5 DGBDRO COC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000112987726 431318635 /nfs/dbraw/zinc/31/86/35/431318635.db2.gz ACFCXANKIIQCJB-AWEZNQCLSA-N 1 0 322.405 3.240 20 5 DGBDRO C[NH+](C)[C@@H](CNc1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000072027256 431325037 /nfs/dbraw/zinc/32/50/37/431325037.db2.gz FGYSIERBLJYSMW-HNNXBMFYSA-N 1 0 303.337 3.449 20 5 DGBDRO CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000072111969 431331156 /nfs/dbraw/zinc/33/11/56/431331156.db2.gz QSRTVKUXADJHOT-UHFFFAOYSA-N 1 0 317.311 3.146 20 5 DGBDRO C[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447588916 279760680 /nfs/dbraw/zinc/76/06/80/279760680.db2.gz VWYZLMRHPUALRC-AJNGGQMLSA-N 1 0 306.410 3.443 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1C(C)C ZINC000117348647 431561127 /nfs/dbraw/zinc/56/11/27/431561127.db2.gz IAJHENDPCLRYAP-INIZCTEOSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000192660100 280253188 /nfs/dbraw/zinc/25/31/88/280253188.db2.gz HOWBCJZWTXDVBA-PIGZYNQJSA-N 1 0 314.389 3.365 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000189295491 280374982 /nfs/dbraw/zinc/37/49/82/280374982.db2.gz VOIXTUKJOVJGNN-OHFALNGGSA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000119385663 431686107 /nfs/dbraw/zinc/68/61/07/431686107.db2.gz NYHAPPAIICMWSN-ZDUSSCGKSA-N 1 0 300.358 3.363 20 5 DGBDRO CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000030144617 431731867 /nfs/dbraw/zinc/73/18/67/431731867.db2.gz SIBSBZIPDDCTLP-CYBMUJFWSA-N 1 0 305.378 3.045 20 5 DGBDRO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121186568 431750548 /nfs/dbraw/zinc/75/05/48/431750548.db2.gz LYUVAUZQKHHWPQ-YFCVBGDOSA-N 1 0 312.373 3.211 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633196 431799566 /nfs/dbraw/zinc/79/95/66/431799566.db2.gz IUDIMXOFDISXRV-GDBMZVCRSA-N 1 0 317.433 3.320 20 5 DGBDRO CN(C)[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccs1 ZINC000037562636 431847958 /nfs/dbraw/zinc/84/79/58/431847958.db2.gz BRQQNSSYGZNFIS-NSHDSACASA-N 1 0 311.432 3.110 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000123000548 431851852 /nfs/dbraw/zinc/85/18/52/431851852.db2.gz OIOBQHAEDUTMBB-TZMCWYRMSA-N 1 0 319.405 3.210 20 5 DGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000123175185 431857661 /nfs/dbraw/zinc/85/76/61/431857661.db2.gz CJKFFGLFRLZTJI-AWEZNQCLSA-N 1 0 321.421 3.144 20 5 DGBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000123464348 431865694 /nfs/dbraw/zinc/86/56/94/431865694.db2.gz RRWYLWDFBIGQEG-QWRGUYRKSA-N 1 0 302.334 3.018 20 5 DGBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123757713 431873989 /nfs/dbraw/zinc/87/39/89/431873989.db2.gz HQDNNKDBVVZPJO-RISCZKNCSA-N 1 0 312.797 3.374 20 5 DGBDRO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1C ZINC000122452382 431833941 /nfs/dbraw/zinc/83/39/41/431833941.db2.gz RBJXYNHUSOMHDS-RYUDHWBXSA-N 1 0 316.361 3.123 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000122508548 431834847 /nfs/dbraw/zinc/83/48/47/431834847.db2.gz NKFANDNQQBTCIX-QWHCGFSZSA-N 1 0 319.405 3.210 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089883462 431883970 /nfs/dbraw/zinc/88/39/70/431883970.db2.gz RKXLVANFCNNCSG-GFCCVEGCSA-N 1 0 301.346 3.482 20 5 DGBDRO CC1(C)[C@@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000089905696 431884429 /nfs/dbraw/zinc/88/44/29/431884429.db2.gz PHYAZWUUVIWKNK-GASCZTMLSA-N 1 0 313.357 3.338 20 5 DGBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCC1 ZINC000089897491 431885042 /nfs/dbraw/zinc/88/50/42/431885042.db2.gz FNILFQWAKWEFEA-UHFFFAOYSA-N 1 0 301.346 3.482 20 5 DGBDRO C[N@H+](CCC1CC1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089926953 431885853 /nfs/dbraw/zinc/88/58/53/431885853.db2.gz UWTRTGKIOYPWOZ-UHFFFAOYSA-N 1 0 301.346 3.482 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000124840696 431906165 /nfs/dbraw/zinc/90/61/65/431906165.db2.gz CRPIMRFOXSEQFP-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000127584827 431975818 /nfs/dbraw/zinc/97/58/18/431975818.db2.gz XOVAZKOYDGVXQG-UHFFFAOYSA-N 1 0 319.405 3.094 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(CO)CC3)o2)c1 ZINC000127075401 431964056 /nfs/dbraw/zinc/96/40/56/431964056.db2.gz VLARIXOFFAHEOU-UHFFFAOYSA-N 1 0 316.357 3.059 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000127348978 431970035 /nfs/dbraw/zinc/97/00/35/431970035.db2.gz OZTZYIRHNIGDIX-GTJPDFRWSA-N 1 0 312.435 3.101 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000248168626 432273297 /nfs/dbraw/zinc/27/32/97/432273297.db2.gz UHDRPCBPZSCTKJ-DDUYRFODSA-N 1 0 304.390 3.367 20 5 DGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000191605825 432282548 /nfs/dbraw/zinc/28/25/48/432282548.db2.gz LCLVDSKYAFSFTL-PBHICJAKSA-N 1 0 314.385 3.157 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCOCC2)cc1[N+](=O)[O-] ZINC000183346343 432284882 /nfs/dbraw/zinc/28/48/82/432284882.db2.gz QWZDTMHHVFBIAS-JSGCOSHPSA-N 1 0 308.378 3.213 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000248540286 432298677 /nfs/dbraw/zinc/29/86/77/432298677.db2.gz BGGWDCUEXNFUAP-UXIGCNINSA-N 1 0 319.405 3.256 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000102888247 432000267 /nfs/dbraw/zinc/00/02/67/432000267.db2.gz SIRQHNSIHXJLHX-CZUORRHYSA-N 1 0 300.358 3.287 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174295444 432334086 /nfs/dbraw/zinc/33/40/86/432334086.db2.gz FJWTUGJCDYDHGQ-CQSZACIVSA-N 1 0 311.813 3.164 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCO1 ZINC000271141815 432337585 /nfs/dbraw/zinc/33/75/85/432337585.db2.gz OMCYRAHZCSYHAQ-STQMWFEESA-N 1 0 310.419 3.234 20 5 DGBDRO CCOc1cccc(NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000184064192 432351397 /nfs/dbraw/zinc/35/13/97/432351397.db2.gz POEPVASDBLHBEZ-UHFFFAOYSA-N 1 0 319.405 3.280 20 5 DGBDRO CC1=CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271208480 432354479 /nfs/dbraw/zinc/35/44/79/432354479.db2.gz XDSAAZUROKHONT-UHFFFAOYSA-N 1 0 312.373 3.147 20 5 DGBDRO COc1cc(N2CCC(CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000270954625 432307223 /nfs/dbraw/zinc/30/72/23/432307223.db2.gz MRHOIQPILPETPL-UHFFFAOYSA-N 1 0 321.421 3.162 20 5 DGBDRO CC(C)c1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174808780 432373686 /nfs/dbraw/zinc/37/36/86/432373686.db2.gz PRWZJQQZXRWASE-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO Cc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1C ZINC000174872388 432374339 /nfs/dbraw/zinc/37/43/39/432374339.db2.gz BBUWLPAOLHRJQJ-UHFFFAOYSA-N 1 0 314.389 3.073 20 5 DGBDRO Cc1ccc([C@H]2CCCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174871057 432374989 /nfs/dbraw/zinc/37/49/89/432374989.db2.gz IIWXWMJEYSEBCW-OAHLLOKOSA-N 1 0 318.377 3.310 20 5 DGBDRO C[C@](O)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000152996348 432375631 /nfs/dbraw/zinc/37/56/31/432375631.db2.gz BOSGNXXNULROBN-RRGWEWPQSA-N 1 0 318.398 3.167 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000174843914 432375567 /nfs/dbraw/zinc/37/55/67/432375567.db2.gz RRYNGQUNMQJUDI-MRXNPFEDSA-N 1 0 314.389 3.061 20 5 DGBDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174881958 432376077 /nfs/dbraw/zinc/37/60/77/432376077.db2.gz DDHWJIXXUJFYLQ-DOMZBBRYSA-N 1 0 318.377 3.166 20 5 DGBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000271332191 432376341 /nfs/dbraw/zinc/37/63/41/432376341.db2.gz NDOIQPLCYYJKSP-LRDDRELGSA-N 1 0 316.357 3.058 20 5 DGBDRO CC[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175051414 432392926 /nfs/dbraw/zinc/39/29/26/432392926.db2.gz BOMPDBDEEKXMFU-AWEZNQCLSA-N 1 0 323.393 3.160 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000153242262 432393820 /nfs/dbraw/zinc/39/38/20/432393820.db2.gz BZYAFFDHORADIG-JSGCOSHPSA-N 1 0 308.378 3.213 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000192624797 432395690 /nfs/dbraw/zinc/39/56/90/432395690.db2.gz GMKNFFBMVXXKHB-LRDDRELGSA-N 1 0 320.389 3.472 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271438288 432395926 /nfs/dbraw/zinc/39/59/26/432395926.db2.gz BPDQRMQRFBZNIO-YPMHNXCESA-N 1 0 316.361 3.408 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1O ZINC000250131382 432365851 /nfs/dbraw/zinc/36/58/51/432365851.db2.gz XEXMEHOSGSGYLB-MLGOLLRUSA-N 1 0 316.357 3.058 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192915612 432428918 /nfs/dbraw/zinc/42/89/18/432428918.db2.gz FIUWJYVLXKQJTD-SUMWQHHRSA-N 1 0 306.406 3.361 20 5 DGBDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193007520 432438493 /nfs/dbraw/zinc/43/84/93/432438493.db2.gz MVYISJCWDAWILF-BLLLJJGKSA-N 1 0 306.406 3.359 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCO[C@@H]2CCCCO2)C2CC2)c1 ZINC000193068262 432446120 /nfs/dbraw/zinc/44/61/20/432446120.db2.gz VNODUYFMSDAGMV-QGZVFWFLSA-N 1 0 320.389 3.102 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO[C@H]2CCCCO2)C2CC2)cc1 ZINC000193080435 432447384 /nfs/dbraw/zinc/44/73/84/432447384.db2.gz CRCAUJLTJBSKJW-KRWDZBQOSA-N 1 0 320.389 3.102 20 5 DGBDRO Cc1n[nH]cc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271527006 432415119 /nfs/dbraw/zinc/41/51/19/432415119.db2.gz REVBVLVRRZYFIT-CJNGLKHVSA-N 1 0 314.389 3.127 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000271532719 432417231 /nfs/dbraw/zinc/41/72/31/432417231.db2.gz MNUJFCAODJJRDG-SMDDNHRTSA-N 1 0 306.362 3.224 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)C(C)(C)C ZINC000185189064 432474166 /nfs/dbraw/zinc/47/41/66/432474166.db2.gz HCPKYSIICJPKFP-XJKSGUPXSA-N 1 0 308.422 3.303 20 5 DGBDRO Cc1ccc(NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1[N+](=O)[O-] ZINC000262518945 432489175 /nfs/dbraw/zinc/48/91/75/432489175.db2.gz NWORPPOMJFSVNH-CQSZACIVSA-N 1 0 305.378 3.139 20 5 DGBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000176202226 432499777 /nfs/dbraw/zinc/49/97/77/432499777.db2.gz CFEJPTQXZZMUES-ZDUSSCGKSA-N 1 0 308.769 3.186 20 5 DGBDRO C[C@@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000261957856 432463498 /nfs/dbraw/zinc/46/34/98/432463498.db2.gz XGWYMRSFSPPTOJ-WBMJQRKESA-N 1 0 319.405 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(CO)CCCC1)CCC2 ZINC000193300538 432463793 /nfs/dbraw/zinc/46/37/93/432463793.db2.gz YTPAHXWTDBRJFP-INIZCTEOSA-N 1 0 304.390 3.115 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154074638 432470034 /nfs/dbraw/zinc/47/00/34/432470034.db2.gz UOSLQNOFMLGYKF-ZDUSSCGKSA-N 1 0 311.813 3.022 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1[NH3+] ZINC000262041002 432470380 /nfs/dbraw/zinc/47/03/80/432470380.db2.gz PBYBVLMHOABLDL-BXUZGUMPSA-N 1 0 317.414 3.102 20 5 DGBDRO C[C@@H]1C[C@@H](CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000273079416 432548795 /nfs/dbraw/zinc/54/87/95/432548795.db2.gz QEXJRBTVNDQDAD-WBNAFJIESA-N 1 0 304.390 3.403 20 5 DGBDRO CCCC[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272527238 432517700 /nfs/dbraw/zinc/51/77/00/432517700.db2.gz ZAZGPXFMHOIBIQ-UHFFFAOYSA-N 1 0 318.320 3.137 20 5 DGBDRO C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185676176 432522303 /nfs/dbraw/zinc/52/23/03/432522303.db2.gz IWDNEHLHLCVRNJ-WBMJQRKESA-N 1 0 319.430 3.437 20 5 DGBDRO Cc1cc(N[C@H]2CCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272890581 432537239 /nfs/dbraw/zinc/53/72/39/432537239.db2.gz XUPBDDDBPKZAAE-NEPJUHHUSA-N 1 0 301.346 3.431 20 5 DGBDRO COc1cccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000177297657 432609041 /nfs/dbraw/zinc/60/90/41/432609041.db2.gz AUBLHOCGPXHECC-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO CO[C@@H](C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000263823527 432580782 /nfs/dbraw/zinc/58/07/82/432580782.db2.gz QVSWXEDSHNYITR-LBPRGKRZSA-N 1 0 304.346 3.369 20 5 DGBDRO CCC[C@H](CC)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000194909127 432586461 /nfs/dbraw/zinc/58/64/61/432586461.db2.gz UYSPOHAQXDLYME-ZDUSSCGKSA-N 1 0 316.361 3.089 20 5 DGBDRO C[C@@H](C1CC1)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000157645062 432627397 /nfs/dbraw/zinc/62/73/97/432627397.db2.gz AZFTYTLNDNJSLO-AWEZNQCLSA-N 1 0 314.389 3.092 20 5 DGBDRO Cc1cc(N2CCC(C)(CO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000273853830 432632043 /nfs/dbraw/zinc/63/20/43/432632043.db2.gz KMHLAIQXTJPHKP-UHFFFAOYSA-N 1 0 315.373 3.050 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000265056674 432666253 /nfs/dbraw/zinc/66/62/53/432666253.db2.gz MFZMMZYBRNAQKT-GJZGRUSLSA-N 1 0 318.421 3.081 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000265459051 432702087 /nfs/dbraw/zinc/70/20/87/432702087.db2.gz FDGJCTTVPLCHDM-GFCCVEGCSA-N 1 0 300.362 3.259 20 5 DGBDRO CC(C)(O)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000274776947 432707631 /nfs/dbraw/zinc/70/76/31/432707631.db2.gz ULJAGIHHGCICFO-UHFFFAOYSA-N 1 0 304.346 3.105 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000160437756 432721426 /nfs/dbraw/zinc/72/14/26/432721426.db2.gz IGUMNXHZKRIQRH-CQSZACIVSA-N 1 0 307.369 3.189 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cnn1C ZINC000177960414 432679075 /nfs/dbraw/zinc/67/90/75/432679075.db2.gz FOZWPBOUVWKTDL-RYUDHWBXSA-N 1 0 302.378 3.357 20 5 DGBDRO CCc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000225248926 432688181 /nfs/dbraw/zinc/68/81/81/432688181.db2.gz VYOZSTOWGMTSPP-UHFFFAOYSA-N 1 0 306.387 3.387 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000178721214 432769762 /nfs/dbraw/zinc/76/97/62/432769762.db2.gz XEINZGHCYASNRF-MEDUHNTESA-N 1 0 302.378 3.439 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161399545 432776438 /nfs/dbraw/zinc/77/64/38/432776438.db2.gz YHLXNOOSDSSBPN-BBRMVZONSA-N 1 0 300.358 3.022 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1O ZINC000178409760 432731952 /nfs/dbraw/zinc/73/19/52/432731952.db2.gz HBDVXQLUGHNJBQ-GFCCVEGCSA-N 1 0 316.357 3.468 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000237241186 432781806 /nfs/dbraw/zinc/78/18/06/432781806.db2.gz SFPWQXLJMKTICK-UHFFFAOYSA-N 1 0 304.321 3.341 20 5 DGBDRO CC[C@@H](CO)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000188676966 432739115 /nfs/dbraw/zinc/73/91/15/432739115.db2.gz JPRLMPRNQWNVBQ-DOTOQJQBSA-N 1 0 300.358 3.045 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CS[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000277293879 432835660 /nfs/dbraw/zinc/83/56/60/432835660.db2.gz RLDSFPODLKRWPS-DOMZBBRYSA-N 1 0 310.419 3.223 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000266755479 432785052 /nfs/dbraw/zinc/78/50/52/432785052.db2.gz DWXAOQJIGNDABF-BMIGLBTASA-N 1 0 322.311 3.257 20 5 DGBDRO CCC(O)(CC)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000276226242 432785908 /nfs/dbraw/zinc/78/59/08/432785908.db2.gz MTDSQNDEYDCVSN-UHFFFAOYSA-N 1 0 300.786 3.279 20 5 DGBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266777597 432787211 /nfs/dbraw/zinc/78/72/11/432787211.db2.gz LVSHBYDRZUMFDV-DYVFJYSZSA-N 1 0 300.358 3.287 20 5 DGBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189518605 432794773 /nfs/dbraw/zinc/79/47/73/432794773.db2.gz QDQOJYIOHKEUIZ-HRCADAONSA-N 1 0 324.446 3.282 20 5 DGBDRO CC(=O)c1ccc(NC[C@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000268278625 432860976 /nfs/dbraw/zinc/86/09/76/432860976.db2.gz VWHAZVQBXHRMOT-CQSZACIVSA-N 1 0 319.405 3.187 20 5 DGBDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278399332 432893295 /nfs/dbraw/zinc/89/32/95/432893295.db2.gz FMBCYUCPFANICF-XNJGSVPQSA-N 1 0 304.390 3.377 20 5 DGBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000163087786 432842928 /nfs/dbraw/zinc/84/29/28/432842928.db2.gz USTUSTGKBPZNDB-UHFFFAOYSA-N 1 0 317.433 3.088 20 5 DGBDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163107224 432843561 /nfs/dbraw/zinc/84/35/61/432843561.db2.gz QQSMTRCHXGKRJK-GFCCVEGCSA-N 1 0 316.405 3.304 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245692013 432856996 /nfs/dbraw/zinc/85/69/96/432856996.db2.gz BOLWEYMMRHIGTO-WZNJSSNCSA-N 1 0 302.374 3.109 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000330657432 432922613 /nfs/dbraw/zinc/92/26/13/432922613.db2.gz OIHQQEUHFMMHGH-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCSCCCO)c2cc([N+](=O)[O-])ccc21 ZINC000278971798 432923633 /nfs/dbraw/zinc/92/36/33/432923633.db2.gz CDRHUPKZUYUXJK-HNNXBMFYSA-N 1 0 324.446 3.022 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCc3nccn3C2)cccc1[N+](=O)[O-] ZINC000279056007 432930234 /nfs/dbraw/zinc/93/02/34/432930234.db2.gz YLJFGKBGMIBHCM-UONOGXRCSA-N 1 0 314.389 3.013 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000331170454 432933157 /nfs/dbraw/zinc/93/31/57/432933157.db2.gz NZFHRXJYHSBVAY-NEPJUHHUSA-N 1 0 310.419 3.319 20 5 DGBDRO COCCSCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000278812560 432903998 /nfs/dbraw/zinc/90/39/98/432903998.db2.gz HQENJPMJYCVUIJ-ZDUSSCGKSA-N 1 0 312.435 3.324 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1C ZINC000279252801 432950094 /nfs/dbraw/zinc/95/00/94/432950094.db2.gz LKCGKQMOYIASHT-FZMZJTMJSA-N 1 0 305.378 3.010 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000330617488 432920375 /nfs/dbraw/zinc/92/03/75/432920375.db2.gz GBIAYMNDJCBFMP-AWEZNQCLSA-N 1 0 319.405 3.352 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCOC2(C)C)c2cc([N+](=O)[O-])ccc21 ZINC000331576414 432950162 /nfs/dbraw/zinc/95/01/62/432950162.db2.gz LDCIIQKWLHHEED-HUUCEWRRSA-N 1 0 304.390 3.474 20 5 DGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332045659 432968938 /nfs/dbraw/zinc/96/89/38/432968938.db2.gz LPUXUZKZPXJZOJ-NSHDSACASA-N 1 0 306.362 3.082 20 5 DGBDRO COCC(C)(C)CCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000290048459 432984465 /nfs/dbraw/zinc/98/44/65/432984465.db2.gz GHRHNVFMGOXOFT-UHFFFAOYSA-N 1 0 310.394 3.146 20 5 DGBDRO CN(C)[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000019998152 289364156 /nfs/dbraw/zinc/36/41/56/289364156.db2.gz IUCHCWPAQXLTDJ-CQSZACIVSA-N 1 0 305.403 3.049 20 5 DGBDRO Cc1csc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000453309376 433080783 /nfs/dbraw/zinc/08/07/83/433080783.db2.gz DUIOPCZXUQFHLJ-ZIAGYGMSSA-N 1 0 320.418 3.435 20 5 DGBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000341491359 433090792 /nfs/dbraw/zinc/09/07/92/433090792.db2.gz UCGYYGCDRSIEKO-NWDGAFQWSA-N 1 0 308.378 3.138 20 5 DGBDRO CC(=O)c1cc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000341540088 433123011 /nfs/dbraw/zinc/12/30/11/433123011.db2.gz YSSNBYRVTLDUNB-QWHCGFSZSA-N 1 0 319.405 3.330 20 5 DGBDRO CCC[C@]1(CO)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000446904456 433126666 /nfs/dbraw/zinc/12/66/66/433126666.db2.gz APPPSUPKOXIYAV-CTEOGUNLSA-N 1 0 304.390 3.235 20 5 DGBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000420270676 433142483 /nfs/dbraw/zinc/14/24/83/433142483.db2.gz CHVNSNWAHWWADL-FVGKDHOHSA-N 1 0 312.373 3.071 20 5 DGBDRO CCc1ccccc1[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000420282169 433144177 /nfs/dbraw/zinc/14/41/77/433144177.db2.gz RYUWJQUZORROMG-OAHLLOKOSA-N 1 0 315.373 3.278 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)nc2c1 ZINC000446849142 433117878 /nfs/dbraw/zinc/11/78/78/433117878.db2.gz MBVSCMYUFJQNOM-HIFRSBDPSA-N 1 0 322.368 3.364 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccccc2F)n1 ZINC000447510464 433208299 /nfs/dbraw/zinc/20/82/99/433208299.db2.gz ILGSYERXYFOJJC-CABCVRRESA-N 1 0 318.352 3.204 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000453402360 433156197 /nfs/dbraw/zinc/15/61/97/433156197.db2.gz FRQSBWYMPUNGQZ-KFNAQCHYSA-N 1 0 304.390 3.474 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC(C)=C(C)C2)cccc1[N+](=O)[O-] ZINC000280742299 433157046 /nfs/dbraw/zinc/15/70/46/433157046.db2.gz MLISNUAFGOKTDE-UHFFFAOYSA-N 1 0 317.389 3.274 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000280905576 433218916 /nfs/dbraw/zinc/21/89/16/433218916.db2.gz GCUGBDKNCLQXFX-SWLSCSKDSA-N 1 0 322.405 3.195 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000280905581 433219620 /nfs/dbraw/zinc/21/96/20/433219620.db2.gz GCUGBDKNCLQXFX-WFASDCNBSA-N 1 0 322.405 3.195 20 5 DGBDRO C[NH+](C)C1CCC(Nc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000420623602 433233031 /nfs/dbraw/zinc/23/30/31/433233031.db2.gz HVIZGKZJUYZBGK-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1nc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(C)o1 ZINC000447579176 433235170 /nfs/dbraw/zinc/23/51/70/433235170.db2.gz JKMAOUOQGOUNGL-QGZVFWFLSA-N 1 0 315.373 3.409 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000374715940 433262376 /nfs/dbraw/zinc/26/23/76/433262376.db2.gz OIKVDYFWUPLIAL-AAEUAGOBSA-N 1 0 310.781 3.107 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000447798426 433281004 /nfs/dbraw/zinc/28/10/04/433281004.db2.gz WMPUCLCLLKORIO-CZUORRHYSA-N 1 0 305.422 3.366 20 5 DGBDRO CC(C)[C@@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339084013 433349331 /nfs/dbraw/zinc/34/93/31/433349331.db2.gz OPDMPMRTAVDLQH-CYBMUJFWSA-N 1 0 320.311 3.110 20 5 DGBDRO CCC[C@@H]([NH2+]CCc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000341901535 433350239 /nfs/dbraw/zinc/35/02/39/433350239.db2.gz ZAWWWPLVQOAGLC-MRXNPFEDSA-N 1 0 300.362 3.058 20 5 DGBDRO Cc1cnc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000448061977 433360499 /nfs/dbraw/zinc/36/04/99/433360499.db2.gz ZQCXLGGCUDVTCE-AWEZNQCLSA-N 1 0 306.410 3.078 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000351099651 433372295 /nfs/dbraw/zinc/37/22/95/433372295.db2.gz LPWOZVNBDQGRJS-OAHLLOKOSA-N 1 0 314.389 3.349 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CCO)CC2)c(Cl)c1 ZINC000421012049 433386964 /nfs/dbraw/zinc/38/69/64/433386964.db2.gz HXFBIBUQIMASCA-LBPRGKRZSA-N 1 0 312.797 3.233 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301117693 433420382 /nfs/dbraw/zinc/42/03/82/433420382.db2.gz VXHQWQSKSKGOBT-NWDGAFQWSA-N 1 0 322.365 3.035 20 5 DGBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301122723 433424832 /nfs/dbraw/zinc/42/48/32/433424832.db2.gz ZFQJMDDWNAYJMX-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000301162274 433436964 /nfs/dbraw/zinc/43/69/64/433436964.db2.gz ATEYOAHVMFFGHB-HNNXBMFYSA-N 1 0 318.352 3.152 20 5 DGBDRO CC[N@H+](CCC1CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000355062482 433444458 /nfs/dbraw/zinc/44/44/58/433444458.db2.gz JSMWMJBDOSPQPL-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+](C)C)cc1 ZINC000301198242 433448080 /nfs/dbraw/zinc/44/80/80/433448080.db2.gz OVMZDKKLDWMKHT-MRXNPFEDSA-N 1 0 314.389 3.321 20 5 DGBDRO COC1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000414189928 433450903 /nfs/dbraw/zinc/45/09/03/433450903.db2.gz SHTSDUJVSIJBCO-OFLPRAFFSA-N 1 0 318.417 3.463 20 5 DGBDRO CC(C)c1nnc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000426292901 433458301 /nfs/dbraw/zinc/45/83/01/433458301.db2.gz WXJLTLXMUKALEN-LLVKDONJSA-N 1 0 320.418 3.463 20 5 DGBDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176203382 290217132 /nfs/dbraw/zinc/21/71/32/290217132.db2.gz ZKJAYVGXVYOFSH-GFCCVEGCSA-N 1 0 314.345 3.231 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000301256360 433473638 /nfs/dbraw/zinc/47/36/38/433473638.db2.gz TXKJMXPVJBDLAB-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO COC1CCC(C)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000355122224 433477970 /nfs/dbraw/zinc/47/79/70/433477970.db2.gz ITUIZEJQMLEEKI-UHFFFAOYSA-N 1 0 310.369 3.419 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)OCC1CC1 ZINC000414250508 433485094 /nfs/dbraw/zinc/48/50/94/433485094.db2.gz BFRQQVWZTFEMKF-CYBMUJFWSA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000426381651 433482758 /nfs/dbraw/zinc/48/27/58/433482758.db2.gz OBMIBQBNQQGULW-UHFFFAOYSA-N 1 0 318.348 3.037 20 5 DGBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301344778 433519423 /nfs/dbraw/zinc/51/94/23/433519423.db2.gz HJMKHRLTCSWJQM-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000414296114 433520089 /nfs/dbraw/zinc/52/00/89/433520089.db2.gz GFLQCUQAUAGIMU-MJBXVCDLSA-N 1 0 314.332 3.184 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1csnn1 ZINC000414296241 433521236 /nfs/dbraw/zinc/52/12/36/433521236.db2.gz GHCFUQHJWRKVAU-WDEREUQCSA-N 1 0 306.391 3.118 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000339359403 433530828 /nfs/dbraw/zinc/53/08/28/433530828.db2.gz HKHZCFQIQWDCSZ-LBPRGKRZSA-N 1 0 322.390 3.316 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000414318623 433537187 /nfs/dbraw/zinc/53/71/87/433537187.db2.gz YAYHZPZEBGPISG-IUODEOHRSA-N 1 0 318.348 3.161 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(C(F)F)CC1 ZINC000355161574 433502587 /nfs/dbraw/zinc/50/25/87/433502587.db2.gz VZEAEIAEBYNKNF-UHFFFAOYSA-N 1 0 300.305 3.128 20 5 DGBDRO Cc1cc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301432533 433553359 /nfs/dbraw/zinc/55/33/59/433553359.db2.gz PKENCUBBYVTNFA-BLLLJJGKSA-N 1 0 306.410 3.221 20 5 DGBDRO CCc1ncc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000414358682 433566358 /nfs/dbraw/zinc/56/63/58/433566358.db2.gz MSHGPSGYZKGAPT-UHFFFAOYSA-N 1 0 314.389 3.060 20 5 DGBDRO COc1ccc(CNc2[nH+]ccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000351570761 433588015 /nfs/dbraw/zinc/58/80/15/433588015.db2.gz PILZXPQOZAICCV-UHFFFAOYSA-N 1 0 324.340 3.401 20 5 DGBDRO CCOc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301516356 433592057 /nfs/dbraw/zinc/59/20/57/433592057.db2.gz GLWNZEZJFSKRJR-JSGCOSHPSA-N 1 0 307.394 3.278 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)O ZINC000293185876 433645644 /nfs/dbraw/zinc/64/56/44/433645644.db2.gz WYCFUHNLJTWLCP-MRXNPFEDSA-N 1 0 318.373 3.494 20 5 DGBDRO Cc1nc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301623755 433646390 /nfs/dbraw/zinc/64/63/90/433646390.db2.gz GKMPZMOFYLKLBC-MLGOLLRUSA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](CCC(C)C)CC1 ZINC000301546266 433602353 /nfs/dbraw/zinc/60/23/53/433602353.db2.gz OYDDACSAOMADDU-UHFFFAOYSA-N 1 0 320.437 3.468 20 5 DGBDRO C[NH+](C)Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000414486185 433656954 /nfs/dbraw/zinc/65/69/54/433656954.db2.gz KLAWHFPUROQVQU-UHFFFAOYSA-N 1 0 303.337 3.408 20 5 DGBDRO CCn1nc(C)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000283131141 433675199 /nfs/dbraw/zinc/67/51/99/433675199.db2.gz WAASZYYBWWRKTF-UHFFFAOYSA-N 1 0 316.405 3.103 20 5 DGBDRO CC(C)c1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000356771834 433687532 /nfs/dbraw/zinc/68/75/32/433687532.db2.gz NWQCODCGSPYXAE-CYBMUJFWSA-N 1 0 321.421 3.177 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000301717072 433689958 /nfs/dbraw/zinc/68/99/58/433689958.db2.gz KQMAVHNCUCYLGA-GJZGRUSLSA-N 1 0 321.421 3.205 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000356773340 433690235 /nfs/dbraw/zinc/69/02/35/433690235.db2.gz CHIWUAATTXKVSQ-KCQAQPDRSA-N 1 0 322.405 3.459 20 5 DGBDRO Cc1c([C@H](C)[NH2+]Cc2cnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000367438257 293072756 /nfs/dbraw/zinc/07/27/56/293072756.db2.gz LTSJOPRNSNEZOA-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000301731532 433699785 /nfs/dbraw/zinc/69/97/85/433699785.db2.gz DWWHQXRVIKJLAG-GHMZBOCLSA-N 1 0 312.801 3.176 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000370307533 293168027 /nfs/dbraw/zinc/16/80/27/293168027.db2.gz HYXPXSIDEVYMAW-INIZCTEOSA-N 1 0 320.389 3.042 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000370724115 293186611 /nfs/dbraw/zinc/18/66/11/293186611.db2.gz XAVDVMUYVNACFE-MRXNPFEDSA-N 1 0 304.390 3.152 20 5 DGBDRO C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000283410823 433718627 /nfs/dbraw/zinc/71/86/27/433718627.db2.gz FIESWUUYRIYYNW-LBPRGKRZSA-N 1 0 310.369 3.249 20 5 DGBDRO CC(C)C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000301782713 433719834 /nfs/dbraw/zinc/71/98/34/433719834.db2.gz JZEUFHRKLHKSJP-NSHDSACASA-N 1 0 301.337 3.261 20 5 DGBDRO Cc1cc(SCC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301819276 433740224 /nfs/dbraw/zinc/74/02/24/433740224.db2.gz IXHAAFVVZPQHGZ-UHFFFAOYSA-N 1 0 318.402 3.014 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1(OC)CCCC1 ZINC000421827709 433753914 /nfs/dbraw/zinc/75/39/14/433753914.db2.gz ZDBVPSBRGKNYPC-GFCCVEGCSA-N 1 0 308.378 3.041 20 5 DGBDRO C[C@@H]1COCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000376495861 433758043 /nfs/dbraw/zinc/75/80/43/433758043.db2.gz RRDXCLUBLGETKM-ZDUSSCGKSA-N 1 0 316.357 3.323 20 5 DGBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000293503224 433760969 /nfs/dbraw/zinc/76/09/69/433760969.db2.gz UPKFFBUWEVHGBO-NEPJUHHUSA-N 1 0 301.346 3.133 20 5 DGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283427362 433724570 /nfs/dbraw/zinc/72/45/70/433724570.db2.gz WQCDPFIBJIZNHK-OCCSQVGLSA-N 1 0 305.378 3.044 20 5 DGBDRO CCSCC[C@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000362449682 433724797 /nfs/dbraw/zinc/72/47/97/433724797.db2.gz IBRDGHVQAMQEJP-ZDUSSCGKSA-N 1 0 312.435 3.437 20 5 DGBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000429573258 433778341 /nfs/dbraw/zinc/77/83/41/433778341.db2.gz YSYISLOUCSKUQQ-SMDDNHRTSA-N 1 0 306.362 3.082 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(F)(c3cccnc3)CC2)c1 ZINC000375339153 293514169 /nfs/dbraw/zinc/51/41/69/293514169.db2.gz WSEGGXKLEBXFEA-UHFFFAOYSA-N 1 0 315.348 3.451 20 5 DGBDRO CC(C)n1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000283854100 433788207 /nfs/dbraw/zinc/78/82/07/433788207.db2.gz HZYBFIWKRHZYAT-UHFFFAOYSA-N 1 0 322.796 3.358 20 5 DGBDRO O=[N+]([O-])c1ccsc1NCCN1CCc2ccccc2C1 ZINC000301924108 433797365 /nfs/dbraw/zinc/79/73/65/433797365.db2.gz GAYRSLTXZJJGCQ-UHFFFAOYSA-N 1 0 303.387 3.127 20 5 DGBDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000449783802 433799199 /nfs/dbraw/zinc/79/91/99/433799199.db2.gz RUAPDSLQYNUYSL-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449784977 433799344 /nfs/dbraw/zinc/79/93/44/433799344.db2.gz DEFFRQFWSAVDMM-AWEZNQCLSA-N 1 0 311.813 3.163 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000362667746 433813096 /nfs/dbraw/zinc/81/30/96/433813096.db2.gz HHISYUOTEJOVTF-KBPBESRZSA-N 1 0 300.362 3.038 20 5 DGBDRO C[N@H+](Cc1ccccc1)C1CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000343618067 433819346 /nfs/dbraw/zinc/81/93/46/433819346.db2.gz CCIYRORKJYZMPX-UHFFFAOYSA-N 1 0 315.348 3.055 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000293685925 433828908 /nfs/dbraw/zinc/82/89/08/433828908.db2.gz KSCUHWXCOIUUBI-BZNIZROVSA-N 1 0 308.378 3.069 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000302712378 433833002 /nfs/dbraw/zinc/83/30/02/433833002.db2.gz XFWIDPJWHPOWEY-LBPRGKRZSA-N 1 0 309.797 3.231 20 5 DGBDRO CC[NH+](CC)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433152178 433840717 /nfs/dbraw/zinc/84/07/17/433840717.db2.gz QFLMSJKTGQLOOY-MRXNPFEDSA-N 1 0 305.422 3.249 20 5 DGBDRO C[C@H](CC[NH+](C)C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166121 433844621 /nfs/dbraw/zinc/84/46/21/433844621.db2.gz WWNFJNXMXHBWHS-MLGOLLRUSA-N 1 0 305.422 3.247 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC(F)(F)[C@H](C)C1 ZINC000351996723 433844968 /nfs/dbraw/zinc/84/49/68/433844968.db2.gz PMTFNKHCTVPRCO-SNVBAGLBSA-N 1 0 300.305 3.081 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000433270358 433847790 /nfs/dbraw/zinc/84/77/90/433847790.db2.gz DEIYLJWMPHBCQT-DQYPLSBCSA-N 1 0 318.417 3.458 20 5 DGBDRO C[C@@H]1[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCN1C ZINC000433229410 433850141 /nfs/dbraw/zinc/85/01/41/433850141.db2.gz RDSMPRQXZZDQBH-OAUYIBNBSA-N 1 0 317.433 3.390 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)COC)cc1[N+](=O)[O-] ZINC000293742164 433850655 /nfs/dbraw/zinc/85/06/55/433850655.db2.gz QUBDDNUALFSTLG-LBPRGKRZSA-N 1 0 310.394 3.317 20 5 DGBDRO Cc1cccc(OCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000302805372 433866727 /nfs/dbraw/zinc/86/67/27/433866727.db2.gz MBGSILBVVMIDIL-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293882924 433908687 /nfs/dbraw/zinc/90/86/87/433908687.db2.gz VNCOWUNVPIRXGZ-NWDGAFQWSA-N 1 0 303.362 3.442 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284975109 433910646 /nfs/dbraw/zinc/91/06/46/433910646.db2.gz FXMPDSNTBWUQBE-SNVBAGLBSA-N 1 0 320.780 3.119 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2CCC2CCCC2)n1 ZINC000362954353 433922618 /nfs/dbraw/zinc/92/26/18/433922618.db2.gz JVUUKLKGFSNBGJ-HNNXBMFYSA-N 1 0 306.410 3.226 20 5 DGBDRO CC1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]CC1 ZINC000414946972 433929347 /nfs/dbraw/zinc/92/93/47/433929347.db2.gz VHPAQQHQAWSPEU-UHFFFAOYSA-N 1 0 315.373 3.087 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422708987 433940501 /nfs/dbraw/zinc/94/05/01/433940501.db2.gz CPKCFGOXMQCCOJ-UKRRQHHQSA-N 1 0 321.421 3.004 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000363385325 434039031 /nfs/dbraw/zinc/03/90/31/434039031.db2.gz XMLBNBSBPDIBNU-INIZCTEOSA-N 1 0 317.389 3.106 20 5 DGBDRO CCC[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305863218 434086907 /nfs/dbraw/zinc/08/69/07/434086907.db2.gz YVBISMWAZHFMRE-ROUUACIJSA-N 1 0 314.385 3.435 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ccccc1[N+](=O)[O-] ZINC000309671828 434098301 /nfs/dbraw/zinc/09/83/01/434098301.db2.gz TWMBRJCEAAEMGH-HNNXBMFYSA-N 1 0 311.385 3.306 20 5 DGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000294237791 434054339 /nfs/dbraw/zinc/05/43/39/434054339.db2.gz VWRBOSGEZATNTN-GFCCVEGCSA-N 1 0 321.421 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2ccco2)c1 ZINC000340411517 434113429 /nfs/dbraw/zinc/11/34/29/434113429.db2.gz JPORTVZNLXCRKQ-UHFFFAOYSA-N 1 0 312.272 3.122 20 5 DGBDRO COc1ccc(CN[C@H](C)C[C@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422944264 434127635 /nfs/dbraw/zinc/12/76/35/434127635.db2.gz LFAUKJPJBQQFSV-UKRRQHHQSA-N 1 0 321.421 3.004 20 5 DGBDRO CC[C@@H](COC)[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000504922250 294224705 /nfs/dbraw/zinc/22/47/05/294224705.db2.gz ZZRKOOJCOYUDNN-STQMWFEESA-N 1 0 312.435 3.480 20 5 DGBDRO CC(C)C[C@@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000506239961 294266912 /nfs/dbraw/zinc/26/69/12/294266912.db2.gz GTLFVLZWUAHZEC-MRXNPFEDSA-N 1 0 322.405 3.111 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000507448162 294298345 /nfs/dbraw/zinc/29/83/45/294298345.db2.gz ZBQLNNZKKNAVPN-WCQYABFASA-N 1 0 312.797 3.195 20 5 DGBDRO CC(C)(CO)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000294768213 434140516 /nfs/dbraw/zinc/14/05/16/434140516.db2.gz JXRGCHYFEMUZMW-UHFFFAOYSA-N 1 0 318.373 3.353 20 5 DGBDRO CC(C)c1ccc(CN2CC[N@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000353450624 434141630 /nfs/dbraw/zinc/14/16/30/434141630.db2.gz UREJQLOTQHNSMN-CQSZACIVSA-N 1 0 305.422 3.244 20 5 DGBDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000512491900 294444403 /nfs/dbraw/zinc/44/44/03/294444403.db2.gz LYVNEXKPHWDSCK-UHFFFAOYSA-N 1 0 322.405 3.397 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)C1CCCC1)CCC2 ZINC000353485632 434169187 /nfs/dbraw/zinc/16/91/87/434169187.db2.gz UPGUQJQZDSXAJS-DLBZAZTESA-N 1 0 304.390 3.113 20 5 DGBDRO Cc1cc(NCCC(C)(C)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000295062082 434173874 /nfs/dbraw/zinc/17/38/74/434173874.db2.gz YVMHIZREYNFDBV-UHFFFAOYSA-N 1 0 303.362 3.272 20 5 DGBDRO C[C@H]([N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)O ZINC000295075277 434180933 /nfs/dbraw/zinc/18/09/33/434180933.db2.gz CYIGDEKUNITWFC-QMMMGPOBSA-N 1 0 321.204 3.493 20 5 DGBDRO CCC(CC)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353504802 434182790 /nfs/dbraw/zinc/18/27/90/434182790.db2.gz UAAJOPAYSAALLM-MRXNPFEDSA-N 1 0 316.405 3.444 20 5 DGBDRO CCOc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000317108013 434196179 /nfs/dbraw/zinc/19/61/79/434196179.db2.gz BXXCWDJNEDQLMR-KBPBESRZSA-N 1 0 305.378 3.032 20 5 DGBDRO CC[C@H](CO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295104683 434200621 /nfs/dbraw/zinc/20/06/21/434200621.db2.gz KWPUESJAROIDKD-CYBMUJFWSA-N 1 0 304.346 3.058 20 5 DGBDRO CN(CC1([NH+](C)C)CCC1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450474464 434213369 /nfs/dbraw/zinc/21/33/69/434213369.db2.gz QDCIFSJXBUWHAB-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000364175613 434253599 /nfs/dbraw/zinc/25/35/99/434253599.db2.gz NRXNKJVOPVABDT-GFCCVEGCSA-N 1 0 312.797 3.497 20 5 DGBDRO CC(C)(CNc1ncc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000357951828 434263377 /nfs/dbraw/zinc/26/33/77/434263377.db2.gz ZRUWBJZZYTZZLP-UHFFFAOYSA-N 1 0 312.801 3.177 20 5 DGBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000319298139 434222442 /nfs/dbraw/zinc/22/24/42/434222442.db2.gz OJEZETPVQQVSSA-WMLDXEAASA-N 1 0 306.406 3.153 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000378585169 434227523 /nfs/dbraw/zinc/22/75/23/434227523.db2.gz BNXRVLWPHORUAY-UHFFFAOYSA-N 1 0 320.780 3.282 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000319798604 434229149 /nfs/dbraw/zinc/22/91/49/434229149.db2.gz IWIIXGOXLNMCST-DOMZBBRYSA-N 1 0 314.341 3.085 20 5 DGBDRO C[C@H](N[C@H]1CC[NH2+]C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423203725 434282938 /nfs/dbraw/zinc/28/29/38/434282938.db2.gz NBWLGPXSKNRYGX-RYUDHWBXSA-N 1 0 317.414 3.336 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000340674257 434286299 /nfs/dbraw/zinc/28/62/99/434286299.db2.gz FFJUIRUILAMDAH-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO CC(C)[C@H](O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303491 434350166 /nfs/dbraw/zinc/35/01/66/434350166.db2.gz DKFNXTOUZQNRGT-IAGOWNOFSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417306756 434350540 /nfs/dbraw/zinc/35/05/40/434350540.db2.gz GLDAXFFUAQFMRT-DCGLDWPTSA-N 1 0 306.406 3.359 20 5 DGBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318630 434356082 /nfs/dbraw/zinc/35/60/82/434356082.db2.gz ZGKCKEROYMPJSN-JCURWCKSSA-N 1 0 306.406 3.359 20 5 DGBDRO [NH3+][C@@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000423321122 434357184 /nfs/dbraw/zinc/35/71/84/434357184.db2.gz MTNYDXDCVKVLTC-ZWKOTPCHSA-N 1 0 311.385 3.011 20 5 DGBDRO Cc1cc(N[C@@H]2CS[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000397818393 434444899 /nfs/dbraw/zinc/44/48/99/434444899.db2.gz SMMPWKQOLYOQKQ-QWRGUYRKSA-N 1 0 303.387 3.179 20 5 DGBDRO CO[C@@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000395194269 434414274 /nfs/dbraw/zinc/41/42/74/434414274.db2.gz ADYNBFTZOCZDBK-KRWDZBQOSA-N 1 0 300.358 3.246 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000360015466 434478348 /nfs/dbraw/zinc/47/83/48/434478348.db2.gz IOBGUOJURUZFRN-OAHLLOKOSA-N 1 0 323.824 3.308 20 5 DGBDRO CCC1(CC)CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000438498973 434493319 /nfs/dbraw/zinc/49/33/19/434493319.db2.gz FLNYQRUTTZWZEB-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000366773723 434506379 /nfs/dbraw/zinc/50/63/79/434506379.db2.gz IDHYFFOMCDBWQE-INIZCTEOSA-N 1 0 324.384 3.161 20 5 DGBDRO CO[C@H](C)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000348835621 434517743 /nfs/dbraw/zinc/51/77/43/434517743.db2.gz AHGFEFCOVCIIRX-GFCCVEGCSA-N 1 0 304.346 3.322 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+](CC)CC ZINC000353911756 434521299 /nfs/dbraw/zinc/52/12/99/434521299.db2.gz NGAVHKKLWINZGI-GFCCVEGCSA-N 1 0 322.409 3.009 20 5 DGBDRO COc1ccc(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000353933510 434536041 /nfs/dbraw/zinc/53/60/41/434536041.db2.gz NKIXSMWOALIFRQ-RDJZCZTQSA-N 1 0 322.405 3.239 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000527304555 295090349 /nfs/dbraw/zinc/09/03/49/295090349.db2.gz SOOQDDUKARXMEG-VHUCWBOISA-N 1 0 315.417 3.168 20 5 DGBDRO Cc1cc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000439131129 434571012 /nfs/dbraw/zinc/57/10/12/434571012.db2.gz VGNSMLFUYFFKTC-SUMWQHHRSA-N 1 0 314.389 3.402 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000414136208 295137623 /nfs/dbraw/zinc/13/76/23/295137623.db2.gz ISIIDRGUYGWGPQ-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000360338132 434581861 /nfs/dbraw/zinc/58/18/61/434581861.db2.gz OYQDRDLOAQEHPP-FOCJUVANSA-N 1 0 319.405 3.336 20 5 DGBDRO C[N@H+](CCc1cccc(Nc2ncc([N+](=O)[O-])s2)c1)C1CC1 ZINC000409729794 434619272 /nfs/dbraw/zinc/61/92/72/434619272.db2.gz UBXLUKLINHACLW-UHFFFAOYSA-N 1 0 318.402 3.432 20 5 DGBDRO CC(C)CN(Cc1cnn(C)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000459594848 434623542 /nfs/dbraw/zinc/62/35/42/434623542.db2.gz PVMRGPQAKJCXKF-UHFFFAOYSA-N 1 0 320.368 3.126 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000439662710 434633321 /nfs/dbraw/zinc/63/33/21/434633321.db2.gz RBUWQJSKWRGFEQ-HOCLYGCPSA-N 1 0 300.362 3.038 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000459744936 434692339 /nfs/dbraw/zinc/69/23/39/434692339.db2.gz DWQDHEAWDFVPAS-UONOGXRCSA-N 1 0 310.781 3.295 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459681459 434663019 /nfs/dbraw/zinc/66/30/19/434663019.db2.gz XDLOYPMBSIIQLP-LSDHHAIUSA-N 1 0 314.389 3.096 20 5 DGBDRO COc1cccc2c1C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000459701174 434670898 /nfs/dbraw/zinc/67/08/98/434670898.db2.gz NDEMNQHVHPZFHB-CDVVCGDMSA-N 1 0 324.380 3.374 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000349350884 434685860 /nfs/dbraw/zinc/68/58/60/434685860.db2.gz PMJHCONZVCHQML-MLGOLLRUSA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000349350882 434687107 /nfs/dbraw/zinc/68/71/07/434687107.db2.gz PMJHCONZVCHQML-LRDDRELGSA-N 1 0 316.357 3.058 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@@H]1C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411232827 434749669 /nfs/dbraw/zinc/74/96/69/434749669.db2.gz TVYPOBXMVLCQIG-MRXNPFEDSA-N 1 0 317.389 3.188 20 5 DGBDRO [NH3+]C1(c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000424339398 434701532 /nfs/dbraw/zinc/70/15/32/434701532.db2.gz QKRBCWHXJNLTEJ-RMKNXTFCSA-N 1 0 314.345 3.266 20 5 DGBDRO CCC[N@H+](CC(C)C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411199557 434744069 /nfs/dbraw/zinc/74/40/69/434744069.db2.gz GRRITXPTWWHODN-CYBMUJFWSA-N 1 0 307.394 3.290 20 5 DGBDRO CC(C)c1ccc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000361168360 434820869 /nfs/dbraw/zinc/82/08/69/434820869.db2.gz SISGJSIQKRZVNE-ZIAGYGMSSA-N 1 0 305.422 3.243 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCc2ncsc2C1 ZINC000445850510 434830768 /nfs/dbraw/zinc/83/07/68/434830768.db2.gz XESJGYILFFWGOH-NSHDSACASA-N 1 0 303.387 3.479 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCc3cncs3)C2)cc1 ZINC000411797135 434831551 /nfs/dbraw/zinc/83/15/51/434831551.db2.gz WMJMVXHRXQSNLS-CQSZACIVSA-N 1 0 317.414 3.473 20 5 DGBDRO Cc1cccc([C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)c1C ZINC000372704468 434848760 /nfs/dbraw/zinc/84/87/60/434848760.db2.gz RPCMGTMHBMDXGE-HNNXBMFYSA-N 1 0 314.389 3.282 20 5 DGBDRO C[C@H](CCCCO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453286935 434849422 /nfs/dbraw/zinc/84/94/22/434849422.db2.gz NLGFLKWHDFLAJD-WBMJQRKESA-N 1 0 306.406 3.458 20 5 DGBDRO COC1([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCC1 ZINC000412021337 434854978 /nfs/dbraw/zinc/85/49/78/434854978.db2.gz MCUPNZWAQUUMMZ-CYBMUJFWSA-N 1 0 322.405 3.429 20 5 DGBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000573366407 434894517 /nfs/dbraw/zinc/89/45/17/434894517.db2.gz MNUKNFCFOFYGTR-QGZVFWFLSA-N 1 0 314.385 3.444 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000462775944 434927045 /nfs/dbraw/zinc/92/70/45/434927045.db2.gz MHYZZSABFJHRCM-OKILXGFUSA-N 1 0 321.421 3.383 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000492175881 434931159 /nfs/dbraw/zinc/93/11/59/434931159.db2.gz NVTVMZGGXZXJJK-CHWSQXEVSA-N 1 0 324.808 3.497 20 5 DGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000464091953 434976847 /nfs/dbraw/zinc/97/68/47/434976847.db2.gz JRJKYQZEWVPLQH-HUUCEWRRSA-N 1 0 310.369 3.416 20 5 DGBDRO COc1cc(C[NH+](CC2CC2)CC2CC2)c([N+](=O)[O-])cc1F ZINC000464680650 434993717 /nfs/dbraw/zinc/99/37/17/434993717.db2.gz BOVHBLBHDYYZDE-UHFFFAOYSA-N 1 0 308.353 3.365 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](OC)C1CC1 ZINC000556240805 435002153 /nfs/dbraw/zinc/00/21/53/435002153.db2.gz KCTBPRIFJJEJRT-HIFRSBDPSA-N 1 0 324.446 3.480 20 5 DGBDRO C[C@@H]1CC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C[NH2+]1 ZINC000638644324 435064360 /nfs/dbraw/zinc/06/43/60/435064360.db2.gz PMZWVLMLFCTHJY-HIFRSBDPSA-N 1 0 319.408 3.258 20 5 DGBDRO COC(=O)CCC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000531002020 435066087 /nfs/dbraw/zinc/06/60/87/435066087.db2.gz DIGDVKDUBUKTQO-ZDUSSCGKSA-N 1 0 320.389 3.321 20 5 DGBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000557795821 435067057 /nfs/dbraw/zinc/06/70/57/435067057.db2.gz LGDLXJQZXFHAGS-MLGOLLRUSA-N 1 0 316.357 3.480 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000466489264 435077408 /nfs/dbraw/zinc/07/74/08/435077408.db2.gz AJHGAGAMHMURIX-ZIAGYGMSSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000466928546 435101927 /nfs/dbraw/zinc/10/19/27/435101927.db2.gz FIRGWNVBWITAKU-DGCLKSJQSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@H](C1CCCCC1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558733548 435110204 /nfs/dbraw/zinc/11/02/04/435110204.db2.gz GGFDBQXLMYHVSA-CYBMUJFWSA-N 1 0 319.405 3.434 20 5 DGBDRO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000531958706 435131192 /nfs/dbraw/zinc/13/11/92/435131192.db2.gz RTQAWMRPVLSCDZ-LLVKDONJSA-N 1 0 302.378 3.279 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CN1CCCCC1 ZINC000579854301 435187850 /nfs/dbraw/zinc/18/78/50/435187850.db2.gz UJFUZLBTZLTJRK-QZFKAFNDSA-N 1 0 317.433 3.462 20 5 DGBDRO CCC(CC)[N@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000579885271 435189957 /nfs/dbraw/zinc/18/99/57/435189957.db2.gz OIEIIOWJVCZVEO-UHFFFAOYSA-N 1 0 310.394 3.493 20 5 DGBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000475377997 435194810 /nfs/dbraw/zinc/19/48/10/435194810.db2.gz CQEAPJBIKYCJSJ-MOTZXUDYSA-N 1 0 318.417 3.481 20 5 DGBDRO Cc1ccc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)cc1[N+](=O)[O-] ZINC000475383669 435195064 /nfs/dbraw/zinc/19/50/64/435195064.db2.gz WLQCFBWTBJRZCF-KRWDZBQOSA-N 1 0 306.406 3.276 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000475397627 435196398 /nfs/dbraw/zinc/19/63/98/435196398.db2.gz XDDNQNUSHHCIEP-ZDUSSCGKSA-N 1 0 307.394 3.280 20 5 DGBDRO CCOc1cc(N2CC[NH+](C[C@@H](C)CC)CC2)ccc1[N+](=O)[O-] ZINC000475487108 435199212 /nfs/dbraw/zinc/19/92/12/435199212.db2.gz NLHNWCAVAMUIBV-AWEZNQCLSA-N 1 0 321.421 3.162 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000475566205 435202040 /nfs/dbraw/zinc/20/20/40/435202040.db2.gz NXMZFWLNWVDAEU-MGPQQGTHSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC1(C)CC1 ZINC000475210261 435183321 /nfs/dbraw/zinc/18/33/21/435183321.db2.gz GKNIEVFGXNFDBA-LBPRGKRZSA-N 1 0 305.378 3.092 20 5 DGBDRO CC(C)(C)CC[C@@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000475676569 435208331 /nfs/dbraw/zinc/20/83/31/435208331.db2.gz KEZWWEBERCATSN-VFADXPBXSA-N 1 0 306.406 3.385 20 5 DGBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000533821004 435257379 /nfs/dbraw/zinc/25/73/79/435257379.db2.gz WQNXGEZVJNZRGV-OAHLLOKOSA-N 1 0 301.321 3.333 20 5 DGBDRO C[C@H](NCC(C)(C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000477919822 435286146 /nfs/dbraw/zinc/28/61/46/435286146.db2.gz XRNUGBHQDMQOHU-AWEZNQCLSA-N 1 0 305.422 3.367 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000479127979 435320258 /nfs/dbraw/zinc/32/02/58/435320258.db2.gz MPKDBZXWULHKHG-MRXNPFEDSA-N 1 0 312.369 3.291 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997467 435334085 /nfs/dbraw/zinc/33/40/85/435334085.db2.gz KUQSHNKUPAJWMA-DZKIICNBSA-N 1 0 324.808 3.374 20 5 DGBDRO C[C@@H](C[NH+]1CCCCCC1)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000479605223 435341902 /nfs/dbraw/zinc/34/19/02/435341902.db2.gz XENLCTHZUVEMDO-DZZUKKPASA-N 1 0 317.433 3.462 20 5 DGBDRO CCC1CCC([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000512487950 435361599 /nfs/dbraw/zinc/36/15/99/435361599.db2.gz BPTDHFDXBYNVJQ-UHFFFAOYSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000535914758 435362230 /nfs/dbraw/zinc/36/22/30/435362230.db2.gz OCZDQHJIYIJOML-OAHLLOKOSA-N 1 0 303.406 3.071 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccc3[nH]cnc3c1)CC2 ZINC000536677366 435401543 /nfs/dbraw/zinc/40/15/43/435401543.db2.gz PHHOZTWHBBXJFY-UHFFFAOYSA-N 1 0 308.341 3.029 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000481174537 435413282 /nfs/dbraw/zinc/41/32/82/435413282.db2.gz LGYMDOZILONUPL-KCQAQPDRSA-N 1 0 322.405 3.397 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000480104803 435367386 /nfs/dbraw/zinc/36/73/86/435367386.db2.gz AYQNHXNBXAMXHL-AAEUAGOBSA-N 1 0 305.378 3.082 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514616144 435425161 /nfs/dbraw/zinc/42/51/61/435425161.db2.gz KNQWYAYFQKKGAG-LSDHHAIUSA-N 1 0 305.422 3.366 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000537466409 435443511 /nfs/dbraw/zinc/44/35/11/435443511.db2.gz CBGIOSLQBDBFSH-ZVVFDCPKSA-N 1 0 316.401 3.499 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(C(F)F)CC2)cc1 ZINC000483514411 435522987 /nfs/dbraw/zinc/52/29/87/435522987.db2.gz APKFWUMATMDKKG-UHFFFAOYSA-N 1 0 314.332 3.341 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000538392062 435498026 /nfs/dbraw/zinc/49/80/26/435498026.db2.gz IXNAMZKGGRHZMY-AWEZNQCLSA-N 1 0 308.378 3.376 20 5 DGBDRO CC(C)c1ccc(CNCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000540802287 435618263 /nfs/dbraw/zinc/61/82/63/435618263.db2.gz RPKILRFLZNWXIB-CQSZACIVSA-N 1 0 305.422 3.150 20 5 DGBDRO CC[C@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000488031249 435633809 /nfs/dbraw/zinc/63/38/09/435633809.db2.gz KNRQOIOFCKOJBR-DZGCQCFKSA-N 1 0 321.421 3.201 20 5 DGBDRO COc1cccc2c1C[C@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000570176747 435596951 /nfs/dbraw/zinc/59/69/51/435596951.db2.gz WLLZMFZHYQPUJS-DYVFJYSZSA-N 1 0 324.380 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+]([C@@H]3CCCC[C@@H]3O)C2)cc1 ZINC000570670067 435640480 /nfs/dbraw/zinc/64/04/80/435640480.db2.gz DTGWJVHCJIPKHQ-OIISXLGYSA-N 1 0 304.390 3.078 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CO1 ZINC000518532923 435644171 /nfs/dbraw/zinc/64/41/71/435644171.db2.gz GPVJOTXNVMYGTG-LUYZLQTOSA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CO1 ZINC000518532924 435645654 /nfs/dbraw/zinc/64/56/54/435645654.db2.gz GPVJOTXNVMYGTG-VDERGJSUSA-N 1 0 304.390 3.073 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ccno1 ZINC000570929036 435662264 /nfs/dbraw/zinc/66/22/64/435662264.db2.gz ZXCDMGHVLLBVTO-SWLSCSKDSA-N 1 0 301.346 3.084 20 5 DGBDRO Cc1ncncc1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000519602539 435691494 /nfs/dbraw/zinc/69/14/94/435691494.db2.gz CBFRTBFSDKDRBL-ZDUSSCGKSA-N 1 0 314.389 3.367 20 5 DGBDRO Cc1cc(N(C)CCC[NH+](C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549141007 435744248 /nfs/dbraw/zinc/74/42/48/435744248.db2.gz NPOFWVURPPEHJO-UHFFFAOYSA-N 1 0 319.327 3.310 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000550275091 435800002 /nfs/dbraw/zinc/80/00/02/435800002.db2.gz QTFWSJCHRAQJGV-IVEQORNPSA-N 1 0 318.417 3.386 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301073475 301338607 /nfs/dbraw/zinc/33/86/07/301338607.db2.gz GHADLSHZIRUKSA-SFHVURJKSA-N 1 0 311.385 3.396 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCS1)C1CC1 ZINC000168660454 312696313 /nfs/dbraw/zinc/69/63/13/312696313.db2.gz VOHNQWNSZSUNTE-HUUCEWRRSA-N 1 0 306.431 3.401 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000530340412 313359889 /nfs/dbraw/zinc/35/98/89/313359889.db2.gz IMJPMZCKGPWZKD-DVKXPDSUSA-N 1 0 304.390 3.091 20 5 DGBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000530517650 313379760 /nfs/dbraw/zinc/37/97/60/313379760.db2.gz WJCHKPJBBCMRAG-KRWDZBQOSA-N 1 0 316.357 3.202 20 5 DGBDRO CCc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000533334182 313612687 /nfs/dbraw/zinc/61/26/87/313612687.db2.gz TZRWKMIBDSYRPW-KRWDZBQOSA-N 1 0 316.405 3.341 20 5 DGBDRO COCC1([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000538550412 313867925 /nfs/dbraw/zinc/86/79/25/313867925.db2.gz YXRHCWNAENIOBJ-DZGCQCFKSA-N 1 0 304.390 3.075 20 5 DGBDRO CC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000540184881 313951293 /nfs/dbraw/zinc/95/12/93/313951293.db2.gz XVZVEQUBYRWOQF-NVXWUHKLSA-N 1 0 306.406 3.322 20 5 DGBDRO CCC(CC)(CC(=O)OC)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000540629509 313969545 /nfs/dbraw/zinc/96/95/45/313969545.db2.gz VZPIOUBZYDPDAJ-NTMALXAHSA-N 1 0 320.389 3.320 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000543249556 314124043 /nfs/dbraw/zinc/12/40/43/314124043.db2.gz JPENDIZIJOGJCP-OLZOCXBDSA-N 1 0 319.405 3.290 20 5 DGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000543421403 314132868 /nfs/dbraw/zinc/13/28/68/314132868.db2.gz BFJUHZCSXOWZGA-GFCCVEGCSA-N 1 0 321.421 3.113 20 5 DGBDRO CCc1ccc([C@H](CO)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000543836722 314160095 /nfs/dbraw/zinc/16/00/95/314160095.db2.gz SVJLGSSQTBNZMT-SFHVURJKSA-N 1 0 314.385 3.023 20 5 DGBDRO CCOc1cccc(N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000545159985 314228838 /nfs/dbraw/zinc/22/88/38/314228838.db2.gz GKUAJXDHGKUOSM-UHFFFAOYSA-N 1 0 321.421 3.304 20 5 DGBDRO CC(C)C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)C ZINC000560274598 314910403 /nfs/dbraw/zinc/91/04/03/314910403.db2.gz LNYVZCCZCSUSOW-UHFFFAOYSA-N 1 0 308.426 3.356 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000564157989 315160465 /nfs/dbraw/zinc/16/04/65/315160465.db2.gz UIVSLXAQOXNAIR-LBPRGKRZSA-N 1 0 322.409 3.145 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@@H](CO)C2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000564428582 315175870 /nfs/dbraw/zinc/17/58/70/315175870.db2.gz WXIVICPEWMNLBC-SJORKVTESA-N 1 0 318.417 3.458 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000564593438 315185382 /nfs/dbraw/zinc/18/53/82/315185382.db2.gz LGNKAPCDQYJWFR-RYUDHWBXSA-N 1 0 301.346 3.416 20 5 DGBDRO CCOc1ccc([C@H](C)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000565769024 315286121 /nfs/dbraw/zinc/28/61/21/315286121.db2.gz AYVVQKDNNPVCMF-ZDUSSCGKSA-N 1 0 309.410 3.032 20 5 DGBDRO CCOc1cc(C[NH+]2C[C@@H](C)S[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000569647986 315594407 /nfs/dbraw/zinc/59/44/07/315594407.db2.gz TYKKRGHQPVJPKS-VXGBXAGGSA-N 1 0 310.419 3.319 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000572855657 315823344 /nfs/dbraw/zinc/82/33/44/315823344.db2.gz HXCOPVBSEBGNNF-YOEHRIQHSA-N 1 0 315.417 3.189 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCCC2)cc(C(F)(F)F)c1 ZINC000577216840 316213758 /nfs/dbraw/zinc/21/37/58/316213758.db2.gz VQWRXZHYAFMSEJ-UHFFFAOYSA-N 1 0 318.295 3.008 20 5 DGBDRO Cc1cccc(N2CCC(C[N@@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000577416286 316233953 /nfs/dbraw/zinc/23/39/53/316233953.db2.gz LINIHFSIRSMZNE-UHFFFAOYSA-N 1 0 305.422 3.460 20 5 DGBDRO Cc1cc(N2C[C@H](C)OC(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181475582 323255484 /nfs/dbraw/zinc/25/54/84/323255484.db2.gz UKFMGCYEJLQVEH-LBPRGKRZSA-N 1 0 315.373 3.455 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CC2CCC2)c2ccccc2)c1 ZINC000182037025 323281310 /nfs/dbraw/zinc/28/13/10/323281310.db2.gz LZADXUNXINQPHZ-KRWDZBQOSA-N 1 0 314.389 3.312 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000192800964 323458896 /nfs/dbraw/zinc/45/88/96/323458896.db2.gz WIXBJPGKAPFSBF-OCCSQVGLSA-N 1 0 319.405 3.400 20 5 DGBDRO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000580140796 323962597 /nfs/dbraw/zinc/96/25/97/323962597.db2.gz GGFDVEQDIWDMLO-LRDDRELGSA-N 1 0 300.362 3.093 20 5 DGBDRO C[NH+](C)CCCCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000581493154 324123197 /nfs/dbraw/zinc/12/31/97/324123197.db2.gz HUXPOVAYUVBOAI-CYBMUJFWSA-N 1 0 319.327 3.130 20 5 DGBDRO C[NH+](C)CCCCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000581493155 324123263 /nfs/dbraw/zinc/12/32/63/324123263.db2.gz HUXPOVAYUVBOAI-ZDUSSCGKSA-N 1 0 319.327 3.130 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC(C2CC2)C2CC2)n1 ZINC000581528197 324126772 /nfs/dbraw/zinc/12/67/72/324126772.db2.gz SZKXUWWGHJLWHX-JKSUJKDBSA-N 1 0 318.421 3.301 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000581558224 324130736 /nfs/dbraw/zinc/13/07/36/324130736.db2.gz KIUMIFACZXVJSZ-IUODEOHRSA-N 1 0 302.374 3.273 20 5 DGBDRO CCc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000581570836 324131518 /nfs/dbraw/zinc/13/15/18/324131518.db2.gz MMHZIUVAZFCMAM-UHFFFAOYSA-N 1 0 324.384 3.366 20 5 DGBDRO CCO[C@@H]1C[C@H]1[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000581770119 324155060 /nfs/dbraw/zinc/15/50/60/324155060.db2.gz YTHJQVUEJJSXGR-YRGRVCCFSA-N 1 0 310.419 3.233 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000582013203 324179636 /nfs/dbraw/zinc/17/96/36/324179636.db2.gz DLBMCZOCUXSJHF-YOEHRIQHSA-N 1 0 318.417 3.361 20 5 DGBDRO COc1ccccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000154972700 534047110 /nfs/dbraw/zinc/04/71/10/534047110.db2.gz BDLHLCAXUILAEF-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO Cc1ccnc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301276685 534406411 /nfs/dbraw/zinc/40/64/11/534406411.db2.gz IZHSCYZIGCUSRY-YRGRVCCFSA-N 1 0 306.410 3.077 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000339395424 519230060 /nfs/dbraw/zinc/23/00/60/519230060.db2.gz QCRMRFYUFGBACI-ABZNLYFFSA-N 1 0 302.334 3.194 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000432422906 534887794 /nfs/dbraw/zinc/88/77/94/534887794.db2.gz WAOCRMWXHNQWMI-VLVHBFOGSA-N 1 0 318.417 3.057 20 5 DGBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000451786478 536468665 /nfs/dbraw/zinc/46/86/65/536468665.db2.gz WYCSAIXJVXCJII-ZDUSSCGKSA-N 1 0 314.813 3.477 20 5 DGBDRO Cn1cc(C[NH2+]CC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237780224 527214528 /nfs/dbraw/zinc/21/45/28/527214528.db2.gz DJMKYTOGYOXLGQ-UHFFFAOYSA-N 1 0 302.378 3.131 20 5 DGBDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000434618841 527751051 /nfs/dbraw/zinc/75/10/51/527751051.db2.gz ZZHVVUULDADRCV-MRXNPFEDSA-N 1 0 320.368 3.260 20 5 DGBDRO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000434741844 527895442 /nfs/dbraw/zinc/89/54/42/527895442.db2.gz JKZSMLGHKDXKRR-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421774318 528098751 /nfs/dbraw/zinc/09/87/51/528098751.db2.gz SXRUJXFIXGGUEW-UHFFFAOYSA-N 1 0 321.421 3.063 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000435746097 528100984 /nfs/dbraw/zinc/10/09/84/528100984.db2.gz TVNOONZUUKAXHO-JOCHJYFZSA-N 1 0 324.446 3.109 20 5 DGBDRO CC(C)c1ccc(CN[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000415060749 528101737 /nfs/dbraw/zinc/10/17/37/528101737.db2.gz VACFZIBTOBDDOZ-CYBMUJFWSA-N 1 0 319.327 3.088 20 5 DGBDRO CC1=CC[N@H+](CCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432169001 528120032 /nfs/dbraw/zinc/12/00/32/528120032.db2.gz IGVODXZHYXAPAO-UHFFFAOYSA-N 1 0 312.373 3.207 20 5 DGBDRO CCOc1cc(NCC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000413433742 528327650 /nfs/dbraw/zinc/32/76/50/528327650.db2.gz DVIFMZNJEWABOU-CYBMUJFWSA-N 1 0 307.394 3.137 20 5 DGBDRO CC(C)C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000301742008 528330503 /nfs/dbraw/zinc/33/05/03/528330503.db2.gz LNBCRHNSLGAEPJ-NSHDSACASA-N 1 0 300.790 3.031 20 5 DGBDRO CCCC[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413063878 528339245 /nfs/dbraw/zinc/33/92/45/528339245.db2.gz DZHTWEWXBSUFCJ-UHFFFAOYSA-N 1 0 324.400 3.077 20 5 DGBDRO CCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429418926 528533414 /nfs/dbraw/zinc/53/34/14/528533414.db2.gz PLMLOQHFPHUGAC-LBPRGKRZSA-N 1 0 307.394 3.338 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000296361668 528597740 /nfs/dbraw/zinc/59/77/40/528597740.db2.gz ITFXCVDQDNEEJA-VXGBXAGGSA-N 1 0 310.394 3.194 20 5 DGBDRO CC(C)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000444754625 528669401 /nfs/dbraw/zinc/66/94/01/528669401.db2.gz UTUBBAFEAMVVDP-ZIAGYGMSSA-N 1 0 319.405 3.290 20 5 DGBDRO CC(C)N(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000296726918 528782420 /nfs/dbraw/zinc/78/24/20/528782420.db2.gz NOPGYFHPBABEJE-UONOGXRCSA-N 1 0 321.421 3.279 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)O ZINC000293019364 529182356 /nfs/dbraw/zinc/18/23/56/529182356.db2.gz ORRXLDIANVEIAA-MRXNPFEDSA-N 1 0 318.373 3.494 20 5 DGBDRO CCSCC[C@@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444674222 529184075 /nfs/dbraw/zinc/18/40/75/529184075.db2.gz JYEOXUCRZHDDRP-LLVKDONJSA-N 1 0 322.434 3.435 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000429772104 529311877 /nfs/dbraw/zinc/31/18/77/529311877.db2.gz IWSHMEOAZCQZJI-CJNGLKHVSA-N 1 0 319.405 3.400 20 5 DGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000452029220 535743920 /nfs/dbraw/zinc/74/39/20/535743920.db2.gz DFEZJKSMURAKQE-GDBMZVCRSA-N 1 0 308.378 3.041 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(F)cn1 ZINC000287620830 538129415 /nfs/dbraw/zinc/12/94/15/538129415.db2.gz JUGKMLOQNNYYME-LLVKDONJSA-N 1 0 319.336 3.031 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000275590565 546366026 /nfs/dbraw/zinc/36/60/26/546366026.db2.gz FJHHQPOOSACDEC-HUUCEWRRSA-N 1 0 319.408 3.388 20 5 DGBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000381161223 546738925 /nfs/dbraw/zinc/73/89/25/546738925.db2.gz NSMBKILZWLQJST-IINYFYTJSA-N 1 0 300.786 3.399 20 5 DGBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000731678712 574556647 /nfs/dbraw/zinc/55/66/47/574556647.db2.gz OJSBERFAYPVGBT-RLCCDNCMSA-N 1 0 316.357 3.134 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000732050419 574565570 /nfs/dbraw/zinc/56/55/70/574565570.db2.gz PBLAVPLJAODYSN-GFCCVEGCSA-N 1 0 320.418 3.491 20 5 DGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000742154489 574841748 /nfs/dbraw/zinc/84/17/48/574841748.db2.gz KIYLIZCTVSXTGJ-QWHCGFSZSA-N 1 0 302.378 3.413 20 5 DGBDRO C[C@H]1CCC[C@H](C)[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000742154490 574841827 /nfs/dbraw/zinc/84/18/27/574841827.db2.gz KIYLIZCTVSXTGJ-STQMWFEESA-N 1 0 302.378 3.413 20 5 DGBDRO CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H](C)C(C)C ZINC000742146614 574982180 /nfs/dbraw/zinc/98/21/80/574982180.db2.gz IQKGFYCYTDOORJ-CYBMUJFWSA-N 1 0 317.393 3.177 20 5 DGBDRO CN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000729682622 575260429 /nfs/dbraw/zinc/26/04/29/575260429.db2.gz WYBKVZBEHVCXMN-LBPRGKRZSA-N 1 0 317.414 3.117 20 5 DGBDRO C[C@H]([NH2+][C@H](CCO)c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000746049706 575429045 /nfs/dbraw/zinc/42/90/45/575429045.db2.gz WGKNGDSYDQJUAF-WCQYABFASA-N 1 0 306.387 3.431 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746665191 575467847 /nfs/dbraw/zinc/46/78/47/575467847.db2.gz ABRMUJVHWVEWPV-AWEZNQCLSA-N 1 0 311.813 3.211 20 5 DGBDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000747100802 575496499 /nfs/dbraw/zinc/49/64/99/575496499.db2.gz VIJAWXOEOFASAI-INIZCTEOSA-N 1 0 300.358 3.035 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000747223516 575506737 /nfs/dbraw/zinc/50/67/37/575506737.db2.gz NDBDBSCOYMLXHT-HNNXBMFYSA-N 1 0 321.421 3.052 20 5 DGBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000749839837 575682662 /nfs/dbraw/zinc/68/26/62/575682662.db2.gz IIYWXKNFSZFCRI-BZNIZROVSA-N 1 0 312.373 3.421 20 5 DGBDRO COCCC(C)(C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000230864735 575975124 /nfs/dbraw/zinc/97/51/24/575975124.db2.gz PEIOKDAUGQHUQF-UHFFFAOYSA-N 1 0 300.786 3.401 20 5 DGBDRO CCC(CC)C[N@H+](CC)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000917454034 620669929 /nfs/dbraw/zinc/66/99/29/620669929.db2.gz DIPSDGMMAPCJDD-UHFFFAOYSA-N 1 0 321.377 3.218 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853670065 620723115 /nfs/dbraw/zinc/72/31/15/620723115.db2.gz FYRLSMKKJGVMHL-NSHDSACASA-N 1 0 313.348 3.453 20 5 DGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000804852709 617742906 /nfs/dbraw/zinc/74/29/06/617742906.db2.gz MKVODCSBJAUKNW-FZMZJTMJSA-N 1 0 309.797 3.311 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000891803907 617902558 /nfs/dbraw/zinc/90/25/58/617902558.db2.gz LYRPEYFMCIQODY-DGCLKSJQSA-N 1 0 306.362 3.074 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000891803914 617902882 /nfs/dbraw/zinc/90/28/82/617902882.db2.gz LYRPEYFMCIQODY-YPMHNXCESA-N 1 0 306.362 3.074 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@H](C)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000892632580 618122138 /nfs/dbraw/zinc/12/21/38/618122138.db2.gz VXYTTXNXDAFQKO-GFCCVEGCSA-N 1 0 316.357 3.468 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1[nH+]ccn1C1CC1 ZINC000840887354 618132893 /nfs/dbraw/zinc/13/28/93/618132893.db2.gz KXOQGORWPLMJIM-UHFFFAOYSA-N 1 0 302.334 3.137 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C(C)(C)c2ccccc2)c1[N+](=O)[O-] ZINC000892679934 618135669 /nfs/dbraw/zinc/13/56/69/618135669.db2.gz WGMCPULZBNABHE-UHFFFAOYSA-N 1 0 316.357 3.334 20 5 DGBDRO C[NH+](C)C1(C)CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000894850307 618477250 /nfs/dbraw/zinc/47/72/50/618477250.db2.gz WRIAFQCKUOVXDO-UHFFFAOYSA-N 1 0 313.348 3.453 20 5 DGBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000777009924 618533153 /nfs/dbraw/zinc/53/31/53/618533153.db2.gz JMVMKVITTKZDFK-SKDRFNHKSA-N 1 0 306.284 3.131 20 5 DGBDRO C[NH+](C)CC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000895325336 618595514 /nfs/dbraw/zinc/59/55/14/618595514.db2.gz PUDZUAMJBIDJMJ-NSHDSACASA-N 1 0 313.348 3.310 20 5 DGBDRO CCc1ccc(C)[nH+]c1NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000895331417 618597326 /nfs/dbraw/zinc/59/73/26/618597326.db2.gz XCVWABAMBHDBSX-UHFFFAOYSA-N 1 0 317.345 3.187 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924955147 618748662 /nfs/dbraw/zinc/74/86/62/618748662.db2.gz MYMPWBRIOYWTRM-UHFFFAOYSA-N 1 0 320.389 3.041 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000895931555 618850542 /nfs/dbraw/zinc/85/05/42/618850542.db2.gz NPKQXAQABURYLT-DGFSRKRXSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC(CC2CCOCC2)C1 ZINC000896008736 618860789 /nfs/dbraw/zinc/86/07/89/618860789.db2.gz NIUZMXBCYJSXTR-UHFFFAOYSA-N 1 0 324.808 3.497 20 5 DGBDRO CC1([NH+]2CCC2)CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000896254124 618892382 /nfs/dbraw/zinc/89/23/82/618892382.db2.gz FVYPGMDUMUGNNH-UHFFFAOYSA-N 1 0 324.812 3.462 20 5 DGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cnn(C2CCC2)c1 ZINC000925151489 619053069 /nfs/dbraw/zinc/05/30/69/619053069.db2.gz BYNHGRFPFQZEAX-ZDUSSCGKSA-N 1 0 314.389 3.410 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806137940 619104545 /nfs/dbraw/zinc/10/45/45/619104545.db2.gz PNDWOMSPLZDMFQ-CQSZACIVSA-N 1 0 317.776 3.463 20 5 DGBDRO COc1cc(C[NH2+]CC(C)(C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000897443100 619128781 /nfs/dbraw/zinc/12/87/81/619128781.db2.gz QSRJJKNDJQEKID-UHFFFAOYSA-N 1 0 308.378 3.138 20 5 DGBDRO C[C@H](C[NH2+][C@@H](c1nccn1C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897459348 619130283 /nfs/dbraw/zinc/13/02/83/619130283.db2.gz KVSLRSWKGFRBAO-MLGOLLRUSA-N 1 0 314.389 3.173 20 5 DGBDRO Cc1ncc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000897460754 619130286 /nfs/dbraw/zinc/13/02/86/619130286.db2.gz VWRALMXRZBMRAM-VXGBXAGGSA-N 1 0 314.389 3.456 20 5 DGBDRO C[C@@H](C[NH2+]C[C@H]1CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000897461854 619130539 /nfs/dbraw/zinc/13/05/39/619130539.db2.gz ZGBQNFYPOKJDFS-VHSXEESVSA-N 1 0 303.189 3.482 20 5 DGBDRO C[C@H](C[NH2+]Cc1cc2n(n1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000897461820 619130596 /nfs/dbraw/zinc/13/05/96/619130596.db2.gz YKHUKWSVHUDMEC-CYBMUJFWSA-N 1 0 314.389 3.021 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])[C@H]1SC ZINC000897463140 619130705 /nfs/dbraw/zinc/13/07/05/619130705.db2.gz BPCAJHOUULUOQV-DDUYRFODSA-N 1 0 324.446 3.197 20 5 DGBDRO Cc1cccc2ncc(C[NH2+]C[C@H](C)c3ccccc3[N+](=O)[O-])n21 ZINC000897468938 619131110 /nfs/dbraw/zinc/13/11/10/619131110.db2.gz CEMHGWNWZMHZTG-ZDUSSCGKSA-N 1 0 324.384 3.444 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897500827 619138940 /nfs/dbraw/zinc/13/89/40/619138940.db2.gz IXWBTXQASYJLMX-ZFWWWQNUSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000897500826 619138995 /nfs/dbraw/zinc/13/89/95/619138995.db2.gz IXWBTXQASYJLMX-UKRRQHHQSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c(Cl)c1 ZINC000897507334 619140741 /nfs/dbraw/zinc/14/07/41/619140741.db2.gz BEMAPLGIYZMAEQ-ZFWWWQNUSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897539096 619152389 /nfs/dbraw/zinc/15/23/89/619152389.db2.gz NGIRYFDINRCQFQ-OPZJBCNKSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@@H]1CC2(CC([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])C2)CO1 ZINC000897781287 619182131 /nfs/dbraw/zinc/18/21/31/619182131.db2.gz UNKDBUYVLAZTGK-HDATWCNRSA-N 1 0 302.374 3.155 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898062233 619209978 /nfs/dbraw/zinc/20/99/78/619209978.db2.gz MIWAKUZXTNHHCE-XGWLTEMNSA-N 1 0 314.385 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC23CCCC3)cc1Cl ZINC000898112604 619215127 /nfs/dbraw/zinc/21/51/27/619215127.db2.gz TUQWRFXCDIWHEF-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc2)c1 ZINC000902475986 619638332 /nfs/dbraw/zinc/63/83/32/619638332.db2.gz KYKNKMSPXSFBAP-LULLPPNCSA-N 1 0 323.396 3.167 20 5 DGBDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000902789105 619676991 /nfs/dbraw/zinc/67/69/91/619676991.db2.gz BWAVBYJXXSMTRW-HIFRSBDPSA-N 1 0 308.378 3.041 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2csc(C)n2)cc([N+](=O)[O-])c1 ZINC000903066825 619710074 /nfs/dbraw/zinc/71/00/74/619710074.db2.gz LWIDJDLRRUIJSV-SNVBAGLBSA-N 1 0 321.402 3.262 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](CCO)CC(C)C)cc([N+](=O)[O-])c1 ZINC000903104239 619716962 /nfs/dbraw/zinc/71/69/62/619716962.db2.gz GAFWYXIRFMBNSX-KGLIPLIRSA-N 1 0 324.421 3.299 20 5 DGBDRO CCC(CC)(CCO)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903104810 619717525 /nfs/dbraw/zinc/71/75/25/619717525.db2.gz LFEZFANTECOBHC-ZDUSSCGKSA-N 1 0 324.421 3.443 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC2CCC(OC)CC2)cc([N+](=O)[O-])c1 ZINC000903107455 619717939 /nfs/dbraw/zinc/71/79/39/619717939.db2.gz VCRMHZNKTNRVMF-FUJMWEONSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccncc2)cc([N+](=O)[O-])c1 ZINC000903107457 619718038 /nfs/dbraw/zinc/71/80/38/619718038.db2.gz VDBSUEKIBBHWSN-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc([N+](=O)[O-])c1 ZINC000903112297 619718063 /nfs/dbraw/zinc/71/80/63/619718063.db2.gz MVDAPDRVWGFWMX-KSHAWTQOSA-N 1 0 320.389 3.212 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903096997 619719582 /nfs/dbraw/zinc/71/95/82/619719582.db2.gz OKSOMGTVMQCSKN-OZVIIMIRSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903131455 619723171 /nfs/dbraw/zinc/72/31/71/619723171.db2.gz SKXRYICZJXGVFM-SRVKXCTJSA-N 1 0 308.378 3.210 20 5 DGBDRO CO[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000903158195 619726955 /nfs/dbraw/zinc/72/69/55/619726955.db2.gz FTIIKQGKDGNLIT-OLZOCXBDSA-N 1 0 318.295 3.271 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000903147791 619728761 /nfs/dbraw/zinc/72/87/61/619728761.db2.gz NHWRHALNMMLLKK-SWLSCSKDSA-N 1 0 308.378 3.213 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2OC)cc([N+](=O)[O-])c1 ZINC000903166646 619732461 /nfs/dbraw/zinc/73/24/61/619732461.db2.gz CTVQJJIFUOXKQD-UVBJJODRSA-N 1 0 308.378 3.212 20 5 DGBDRO Cn1cnc2cc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])ccc21 ZINC000903202689 619736158 /nfs/dbraw/zinc/73/61/58/619736158.db2.gz HQBRSSKYOILRCM-OAHLLOKOSA-N 1 0 322.368 3.259 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)[C@@H](OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903187748 619736711 /nfs/dbraw/zinc/73/67/11/619736711.db2.gz WODWDVWOYJIVHD-LYOVBCGYSA-N 1 0 308.378 3.068 20 5 DGBDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cn1 ZINC000903187704 619736930 /nfs/dbraw/zinc/73/69/30/619736930.db2.gz VXEFICCTNSSINW-NEPJUHHUSA-N 1 0 318.377 3.232 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCC[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903188343 619737258 /nfs/dbraw/zinc/73/72/58/619737258.db2.gz ZBCMEWQWUYLNLI-QWHCGFSZSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@]2(C)CCCCO2)cc([N+](=O)[O-])c1 ZINC000903224800 619737714 /nfs/dbraw/zinc/73/77/14/619737714.db2.gz ASTMCOZCYGAFFT-WBMJQRKESA-N 1 0 308.378 3.213 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC[C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903205474 619738074 /nfs/dbraw/zinc/73/80/74/619738074.db2.gz ISHPYQPONDUNBB-CHWSQXEVSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]Cc2cccnc2C)cc([N+](=O)[O-])c1 ZINC000903207516 619738476 /nfs/dbraw/zinc/73/84/76/619738476.db2.gz SLMIRVDKSLWOIA-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCCc2c1cnn2C)c1ccccc1[N+](=O)[O-] ZINC000903244796 619743313 /nfs/dbraw/zinc/74/33/13/619743313.db2.gz DKURPWVYVZUILP-IUODEOHRSA-N 1 0 314.389 3.099 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000903245843 619743606 /nfs/dbraw/zinc/74/36/06/619743606.db2.gz OSNZJFDYPJVLPX-YCPHGPKFSA-N 1 0 306.406 3.493 20 5 DGBDRO CCn1cc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000903246893 619747733 /nfs/dbraw/zinc/74/77/33/619747733.db2.gz YHIPJGAAVHBKPI-OLZOCXBDSA-N 1 0 302.378 3.266 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CCO)C1CCCC1 ZINC000903297043 619752586 /nfs/dbraw/zinc/75/25/86/619752586.db2.gz OFMJJXZFKIKYIX-LRDDRELGSA-N 1 0 324.396 3.196 20 5 DGBDRO COC[C@@H](CC1CCOCC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287499 619754569 /nfs/dbraw/zinc/75/45/69/619754569.db2.gz POGSORWKTFAHSL-CZUORRHYSA-N 1 0 322.405 3.077 20 5 DGBDRO CO[C@@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCSC1 ZINC000903309170 619757102 /nfs/dbraw/zinc/75/71/02/619757102.db2.gz CCNAYUDNGDBMNW-IUODEOHRSA-N 1 0 310.419 3.076 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(C)(C)OC)cc1[N+](=O)[O-] ZINC000903332414 619762650 /nfs/dbraw/zinc/76/26/50/619762650.db2.gz RZMFHUJOSBOUMK-VXGBXAGGSA-N 1 0 310.394 3.458 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCOC12CCCC2 ZINC000903388981 619770521 /nfs/dbraw/zinc/77/05/21/619770521.db2.gz NQTCXVQDBYXNFY-WBMJQRKESA-N 1 0 322.380 3.356 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC12CCCC2 ZINC000903388980 619770570 /nfs/dbraw/zinc/77/05/70/619770570.db2.gz NQTCXVQDBYXNFY-MLGOLLRUSA-N 1 0 322.380 3.356 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCOC12CCCC2 ZINC000903390976 619770977 /nfs/dbraw/zinc/77/09/77/619770977.db2.gz XSMNKQQISLHWIF-WBMJQRKESA-N 1 0 320.389 3.356 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H](O)C1CC1)CCCC2 ZINC000903406210 619771381 /nfs/dbraw/zinc/77/13/81/619771381.db2.gz HKKPACDXNNVNKV-DLBZAZTESA-N 1 0 304.390 3.113 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H](O)C1CC1 ZINC000903410355 619772009 /nfs/dbraw/zinc/77/20/09/619772009.db2.gz GOBBUODXNPYCKQ-QMTHXVAHSA-N 1 0 310.419 3.128 20 5 DGBDRO [NH3+]CC1([C@@H]2CCCCN2Cc2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000903812938 619818418 /nfs/dbraw/zinc/81/84/18/619818418.db2.gz BNHZPPSWKFNWPM-INIZCTEOSA-N 1 0 321.396 3.217 20 5 DGBDRO CSC1CCC(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000905509346 620003254 /nfs/dbraw/zinc/00/32/54/620003254.db2.gz QCNAIXPGPWRYFW-MOQPWLNLSA-N 1 0 324.446 3.140 20 5 DGBDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000905740597 620025282 /nfs/dbraw/zinc/02/52/82/620025282.db2.gz LAMQMCPHEFCORL-HIFRSBDPSA-N 1 0 300.362 3.017 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000841087095 620230569 /nfs/dbraw/zinc/23/05/69/620230569.db2.gz MQDLIOPHRHYGJP-HIFRSBDPSA-N 1 0 323.824 3.212 20 5 DGBDRO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000924840784 620337352 /nfs/dbraw/zinc/33/73/52/620337352.db2.gz FXBJIKPJRLKNFC-CZUORRHYSA-N 1 0 310.394 3.023 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2CCCO)cc1[N+](=O)[O-] ZINC000924842676 620348851 /nfs/dbraw/zinc/34/88/51/620348851.db2.gz UKZBDCNGLOFWHA-GJZGRUSLSA-N 1 0 322.405 3.024 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cnn(CCF)c1)c1cccc([N+](=O)[O-])c1 ZINC000921819094 620955339 /nfs/dbraw/zinc/95/53/39/620955339.db2.gz VRBUGCNZAVKUJE-OAHLLOKOSA-N 1 0 306.341 3.002 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922455844 621040027 /nfs/dbraw/zinc/04/00/27/621040027.db2.gz QAMQYSVPHRKYBH-YPMHNXCESA-N 1 0 318.295 3.103 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000922517072 621048586 /nfs/dbraw/zinc/04/85/86/621048586.db2.gz DOJQJUYBYGDVRK-CDLZWKSISA-N 1 0 302.374 3.155 20 5 DGBDRO CO[C@]1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCSC1 ZINC000922572119 621058461 /nfs/dbraw/zinc/05/84/61/621058461.db2.gz ALMZLIAWHWRAJY-INIZCTEOSA-N 1 0 324.446 3.330 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000922677173 621079624 /nfs/dbraw/zinc/07/96/24/621079624.db2.gz FHLUTFZZFKEMNH-OLZOCXBDSA-N 1 0 318.295 3.184 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@]23CCC[C@H]2OCC3)c1 ZINC000922699428 621084682 /nfs/dbraw/zinc/08/46/82/621084682.db2.gz UYDCDRNFVVANSB-HUUCEWRRSA-N 1 0 310.781 3.297 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000923027808 621147688 /nfs/dbraw/zinc/14/76/88/621147688.db2.gz OUUUVYGZABAEBW-GMNBZTITSA-N 1 0 302.374 3.299 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccnc(F)c2)cc1 ZINC000858145908 621157775 /nfs/dbraw/zinc/15/77/75/621157775.db2.gz IVTOKQRKZMWFLL-UHFFFAOYSA-N 1 0 303.337 3.241 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000923503051 621188868 /nfs/dbraw/zinc/18/88/68/621188868.db2.gz FOOMBXIYOSVTQG-CQSZACIVSA-N 1 0 323.462 3.258 20 5 DGBDRO [NH3+]CC[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC000923556779 621194254 /nfs/dbraw/zinc/19/42/54/621194254.db2.gz IQLNQJQBDQBWMF-GFCCVEGCSA-N 1 0 315.348 3.187 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000839071975 621322619 /nfs/dbraw/zinc/32/26/19/621322619.db2.gz ANAZBOLEVANRFB-MRXNPFEDSA-N 1 0 324.396 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000860074353 621363339 /nfs/dbraw/zinc/36/33/39/621363339.db2.gz ZRHHMZZGECXYJB-UHFFFAOYSA-N 1 0 305.334 3.269 20 5 DGBDRO CC(C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000754828518 621535882 /nfs/dbraw/zinc/53/58/82/621535882.db2.gz IGUDWICNFIBDQN-ZDUSSCGKSA-N 1 0 306.387 3.215 20 5 DGBDRO Cc1c(F)nccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000862363138 621578741 /nfs/dbraw/zinc/57/87/41/621578741.db2.gz JVHRICDCUGBZSC-UHFFFAOYSA-N 1 0 303.337 3.112 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000756902437 621671274 /nfs/dbraw/zinc/67/12/74/621671274.db2.gz SNRLBVPWDFRDHH-BXUZGUMPSA-N 1 0 310.781 3.249 20 5 DGBDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000120222054 621810099 /nfs/dbraw/zinc/81/00/99/621810099.db2.gz BPJOZXHIJKFQPT-JKSUJKDBSA-N 1 0 314.389 3.407 20 5 DGBDRO C[NH+](C)C[C@H]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC000865537729 621945798 /nfs/dbraw/zinc/94/57/98/621945798.db2.gz LSFVFNBZBKQXCV-SECBINFHSA-N 1 0 318.204 3.290 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865570350 621953713 /nfs/dbraw/zinc/95/37/13/621953713.db2.gz DMOLTWIVUKRIDI-LBPRGKRZSA-N 1 0 313.348 3.453 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865696708 621979358 /nfs/dbraw/zinc/97/93/58/621979358.db2.gz SZDFQFNKGBTBJJ-WEIKZCAYSA-N 1 0 314.385 3.011 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2C2CCC2)c2cc([N+](=O)[O-])ccc12 ZINC000761289277 621999674 /nfs/dbraw/zinc/99/96/74/621999674.db2.gz FIOITGYSAGCXGW-MRXNPFEDSA-N 1 0 314.389 3.475 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)c(F)c1 ZINC000865857608 622009690 /nfs/dbraw/zinc/00/96/90/622009690.db2.gz UIHHZWHHXATYSH-OAHLLOKOSA-N 1 0 308.353 3.315 20 5 DGBDRO CCC1(O)CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761525191 622014125 /nfs/dbraw/zinc/01/41/25/622014125.db2.gz DAKUMNGGBIBGRQ-UHFFFAOYSA-N 1 0 312.797 3.422 20 5 DGBDRO C[N@@H+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CCC1(C)C ZINC000866112876 622047470 /nfs/dbraw/zinc/04/74/70/622047470.db2.gz MSKRXOFZFRGMQI-UHFFFAOYSA-N 1 0 313.348 3.453 20 5 DGBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CCC1(C)C ZINC000866114613 622048163 /nfs/dbraw/zinc/04/81/63/622048163.db2.gz MNUABPISRNHVSP-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)c1cccnc1 ZINC000866214801 622067437 /nfs/dbraw/zinc/06/74/37/622067437.db2.gz GOWZCRQFHAEUPB-VXGBXAGGSA-N 1 0 303.337 3.411 20 5 DGBDRO Cc1ncsc1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866261386 622078480 /nfs/dbraw/zinc/07/84/80/622078480.db2.gz SNNUCVUXBRLDKP-SECBINFHSA-N 1 0 309.366 3.220 20 5 DGBDRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866274188 622082360 /nfs/dbraw/zinc/08/23/60/622082360.db2.gz XKOISHGRVKGBIN-RYUDHWBXSA-N 1 0 312.385 3.458 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866275088 622082853 /nfs/dbraw/zinc/08/28/53/622082853.db2.gz XDKSOSIYUGHDBR-IRXDYDNUSA-N 1 0 304.390 3.075 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cs1 ZINC000762615550 622086546 /nfs/dbraw/zinc/08/65/46/622086546.db2.gz OUORFFYYSDMDAI-FOGDFJRCSA-N 1 0 316.473 3.126 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1[N+](=O)[O-] ZINC000762614593 622086566 /nfs/dbraw/zinc/08/65/66/622086566.db2.gz OVHOTKVTIKGKOR-SNPRPXQTSA-N 1 0 324.471 3.372 20 5 DGBDRO CCOC1CC(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866349163 622100202 /nfs/dbraw/zinc/10/02/02/622100202.db2.gz YWIAUZJSQFKEJN-FUJMWEONSA-N 1 0 324.396 3.460 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000866386132 622108289 /nfs/dbraw/zinc/10/82/89/622108289.db2.gz XSABJEQAZVDLPV-DOMZBBRYSA-N 1 0 323.412 3.127 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccns1 ZINC000866399816 622111434 /nfs/dbraw/zinc/11/14/34/622111434.db2.gz WABQBRBFWBNWDO-UWVGGRQHSA-N 1 0 309.366 3.472 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)cccc1[N+](=O)[O-] ZINC000866426053 622116226 /nfs/dbraw/zinc/11/62/26/622116226.db2.gz RBOBAQZGTGQYRG-JSGCOSHPSA-N 1 0 322.405 3.343 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)CC1(C)OCCO1 ZINC000866425595 622116256 /nfs/dbraw/zinc/11/62/56/622116256.db2.gz NDQGJMXGNUOWLK-TZMCWYRMSA-N 1 0 322.405 3.343 20 5 DGBDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000866456453 622121560 /nfs/dbraw/zinc/12/15/60/622121560.db2.gz ZCAHJHKOOWVCPX-DTWKUNHWSA-N 1 0 306.391 3.354 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1ccc([N+](=O)[O-])cc1 ZINC000866562313 622138166 /nfs/dbraw/zinc/13/81/66/622138166.db2.gz RIIGPKULKVWKEC-ACJLOTCBSA-N 1 0 311.385 3.432 20 5 DGBDRO CN1Cc2ccccc2[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000866563932 622139400 /nfs/dbraw/zinc/13/94/00/622139400.db2.gz QFPHAWFZNZUGFR-IEBWSBKVSA-N 1 0 323.396 3.358 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000866614196 622146999 /nfs/dbraw/zinc/14/69/99/622146999.db2.gz LMXYPBLRNYKEIR-XHDPSFHLSA-N 1 0 314.389 3.402 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000866614194 622147200 /nfs/dbraw/zinc/14/72/00/622147200.db2.gz LMXYPBLRNYKEIR-NHYWBVRUSA-N 1 0 314.389 3.402 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CCCC3)CC2)cc1 ZINC000765326909 622259470 /nfs/dbraw/zinc/25/94/70/622259470.db2.gz XFQDCEBDWURAQG-UHFFFAOYSA-N 1 0 303.406 3.343 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000765439779 622265469 /nfs/dbraw/zinc/26/54/69/622265469.db2.gz LIHMIDZNBHTKOI-SUMWQHHRSA-N 1 0 314.389 3.447 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000766376340 622325293 /nfs/dbraw/zinc/32/52/93/622325293.db2.gz ZMOAVYCHUGYWKX-RYUDHWBXSA-N 1 0 302.378 3.188 20 5 DGBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000766736000 622350097 /nfs/dbraw/zinc/35/00/97/622350097.db2.gz XXZQVFLNPRMLQZ-NVXWUHKLSA-N 1 0 315.373 3.154 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c(Cl)c1 ZINC000767723156 622418813 /nfs/dbraw/zinc/41/88/13/622418813.db2.gz DMGZCFCBZWQODU-OAHLLOKOSA-N 1 0 324.739 3.211 20 5 DGBDRO CC1(C)C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000767917670 622427791 /nfs/dbraw/zinc/42/77/91/622427791.db2.gz OJKSHSPQUJENIB-OAHLLOKOSA-N 1 0 306.406 3.386 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768540704 622463220 /nfs/dbraw/zinc/46/32/20/622463220.db2.gz CCRZSIVQZCAQOM-ZDUSSCGKSA-N 1 0 311.813 3.211 20 5 DGBDRO CCN(CCO)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000768945313 622487017 /nfs/dbraw/zinc/48/70/17/622487017.db2.gz ICPUIXYKSCZGAK-UHFFFAOYSA-N 1 0 322.452 3.397 20 5 DGBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000123363086 622521418 /nfs/dbraw/zinc/52/14/18/622521418.db2.gz XSUURKXEECOPFI-UWVGGRQHSA-N 1 0 311.769 3.060 20 5 DGBDRO CC[NH+](CC)CCSCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789923221 625581672 /nfs/dbraw/zinc/58/16/72/625581672.db2.gz XIUSCGWAPJCLOI-UHFFFAOYSA-N 1 0 313.379 3.078 20 5 DGBDRO C[C@@H](NCC1([NH+](C)C)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872018521 622754624 /nfs/dbraw/zinc/75/46/24/622754624.db2.gz NKKJCVXYMQATGF-GFCCVEGCSA-N 1 0 309.385 3.259 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)CC(C)C ZINC000872024835 622758314 /nfs/dbraw/zinc/75/83/14/622758314.db2.gz WJZPQYJRPPJVNQ-NEPJUHHUSA-N 1 0 312.435 3.374 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000872033438 622764704 /nfs/dbraw/zinc/76/47/04/622764704.db2.gz HHSMTKYNQSJPDD-NWDGAFQWSA-N 1 0 321.446 3.204 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O ZINC000872039332 622768982 /nfs/dbraw/zinc/76/89/82/622768982.db2.gz SMRVQUQGYMZRIS-SRVKXCTJSA-N 1 0 312.435 3.374 20 5 DGBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000872044871 622771707 /nfs/dbraw/zinc/77/17/07/622771707.db2.gz GUDJIDSOGMQDGY-BBRMVZONSA-N 1 0 322.405 3.157 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000872046009 622772428 /nfs/dbraw/zinc/77/24/28/622772428.db2.gz UKAPPKQMRNXNIB-AWEZNQCLSA-N 1 0 320.389 3.055 20 5 DGBDRO CC(C)[NH+]1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872048405 622774609 /nfs/dbraw/zinc/77/46/09/622774609.db2.gz ZXCIZQTYZBPWHM-GFCCVEGCSA-N 1 0 309.385 3.257 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000872053945 622778333 /nfs/dbraw/zinc/77/83/33/622778333.db2.gz ZXBBSNWOSSIEGF-OAHLLOKOSA-N 1 0 304.390 3.219 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000872063448 622784247 /nfs/dbraw/zinc/78/42/47/622784247.db2.gz PWPIDMBEAONIAN-LERXQTSPSA-N 1 0 310.419 3.271 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000872064891 622785347 /nfs/dbraw/zinc/78/53/47/622785347.db2.gz OQHDATPNFBJPHU-LOWVWBTDSA-N 1 0 310.419 3.128 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1=CCOCC1 ZINC000872075045 622791077 /nfs/dbraw/zinc/79/10/77/622791077.db2.gz NCLOTQHZOSHJRR-LLVKDONJSA-N 1 0 308.403 3.314 20 5 DGBDRO C[C@H]([NH2+]CC1SCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088264 622797916 /nfs/dbraw/zinc/79/79/16/622797916.db2.gz NHPGJUGCGHWFGZ-QMMMGPOBSA-N 1 0 302.396 3.191 20 5 DGBDRO CC(C)(C)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000872234448 622863684 /nfs/dbraw/zinc/86/36/84/622863684.db2.gz SMALZCTVWYAZJU-HNNXBMFYSA-N 1 0 318.373 3.309 20 5 DGBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c[nH+]cn2c1 ZINC000790145677 625607876 /nfs/dbraw/zinc/60/78/76/625607876.db2.gz WEAQPDSWCXOOQP-UHFFFAOYSA-N 1 0 316.704 3.148 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000873006888 623016209 /nfs/dbraw/zinc/01/62/09/623016209.db2.gz ARAFRYDYONEFLH-UHFFFAOYSA-N 1 0 314.341 3.230 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873020497 623018551 /nfs/dbraw/zinc/01/85/51/623018551.db2.gz UOJODSBNCDFCOG-HNNXBMFYSA-N 1 0 305.422 3.033 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873051427 623025941 /nfs/dbraw/zinc/02/59/41/623025941.db2.gz BQDJDPRPDCHAPB-SJCJKPOMSA-N 1 0 318.348 3.254 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000873097954 623036274 /nfs/dbraw/zinc/03/62/74/623036274.db2.gz ZQWBDAXKKHDNHG-LRDDRELGSA-N 1 0 318.373 3.406 20 5 DGBDRO Cc1c(C[NH2+][C@H](C2CC2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000873133033 623043844 /nfs/dbraw/zinc/04/38/44/623043844.db2.gz MSGVEICBBDURNI-QGZVFWFLSA-N 1 0 304.390 3.198 20 5 DGBDRO Cc1c(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000873140486 623048012 /nfs/dbraw/zinc/04/80/12/623048012.db2.gz PJSASUXIHYGRSV-CXAGYDPISA-N 1 0 300.358 3.115 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cccc1[N+](=O)[O-] ZINC000873141776 623048510 /nfs/dbraw/zinc/04/85/10/623048510.db2.gz KMUKJGKSNVJDIS-KRWDZBQOSA-N 1 0 312.369 3.134 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000873149761 623050185 /nfs/dbraw/zinc/05/01/85/623050185.db2.gz TVSGVFGTNIBGAZ-HNNXBMFYSA-N 1 0 304.390 3.200 20 5 DGBDRO COc1ccc(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1[N+](=O)[O-] ZINC000873218082 623077628 /nfs/dbraw/zinc/07/76/28/623077628.db2.gz WFYUSMKNJCUAPN-LSDHHAIUSA-N 1 0 313.357 3.030 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000774133849 623110712 /nfs/dbraw/zinc/11/07/12/623110712.db2.gz HYGBIUZGBRARDP-RDTXWAMCSA-N 1 0 317.433 3.436 20 5 DGBDRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774213688 623120754 /nfs/dbraw/zinc/12/07/54/623120754.db2.gz QOKFYASEPDVCRR-RFQIPJPRSA-N 1 0 324.450 3.149 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000774473481 623149927 /nfs/dbraw/zinc/14/99/27/623149927.db2.gz BXVJGDBQEPIDOK-UKRRQHHQSA-N 1 0 320.389 3.240 20 5 DGBDRO CC[C@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774626915 623167288 /nfs/dbraw/zinc/16/72/88/623167288.db2.gz NPEJFJZKHSPRHM-NSHDSACASA-N 1 0 308.769 3.430 20 5 DGBDRO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@@H]3C3CC3)c2c(Cl)c1 ZINC000774628530 623167974 /nfs/dbraw/zinc/16/79/74/623167974.db2.gz XAZSNVXPYKQIRS-CQSZACIVSA-N 1 0 320.780 3.430 20 5 DGBDRO C[C@H](OC(=O)c1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000790280933 625626951 /nfs/dbraw/zinc/62/69/51/625626951.db2.gz YSIGAHSLKFTIAZ-NSHDSACASA-N 1 0 311.297 3.161 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000124838984 623241295 /nfs/dbraw/zinc/24/12/95/623241295.db2.gz WLXVDPRPVQGWLZ-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC000776311455 623410809 /nfs/dbraw/zinc/41/08/09/623410809.db2.gz ZBQBNUJFXYWEHO-ZUZCIYMTSA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(C)CC1 ZINC000776882192 623473193 /nfs/dbraw/zinc/47/31/93/623473193.db2.gz ODJSUFYYFNWRPF-CYBMUJFWSA-N 1 0 303.406 3.342 20 5 DGBDRO CC[C@H]1CCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956480 623589901 /nfs/dbraw/zinc/58/99/01/623589901.db2.gz MALDUKPDLVCXQA-HNNXBMFYSA-N 1 0 300.362 3.290 20 5 DGBDRO CC(C)[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777955116 623590137 /nfs/dbraw/zinc/59/01/37/623590137.db2.gz MKIOKNBHBLMJJK-UHFFFAOYSA-N 1 0 300.362 3.289 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC4(CCC4)C3)c2)c1 ZINC000777964828 623592699 /nfs/dbraw/zinc/59/26/99/623592699.db2.gz SJMFKYNKXNGTTD-UHFFFAOYSA-N 1 0 312.373 3.292 20 5 DGBDRO CC(C)[NH+]1CCC(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000876467109 623620729 /nfs/dbraw/zinc/62/07/29/623620729.db2.gz NCVQCDNQNHEPCF-ZDUSSCGKSA-N 1 0 320.389 3.319 20 5 DGBDRO CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876927408 623745579 /nfs/dbraw/zinc/74/55/79/623745579.db2.gz BCLANSIJDIBXTG-UHFFFAOYSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000876945929 623751354 /nfs/dbraw/zinc/75/13/54/623751354.db2.gz LXCRQRYKDBVYPU-FLRBZUCHSA-N 1 0 316.361 3.001 20 5 DGBDRO Cc1ccc(C[C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000877052433 623777163 /nfs/dbraw/zinc/77/71/63/623777163.db2.gz WSTUGAAJHXIREV-QFWMXSHPSA-N 1 0 320.418 3.086 20 5 DGBDRO Cc1ccc(CC[C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000877066731 623781893 /nfs/dbraw/zinc/78/18/93/623781893.db2.gz RYJXABSRRFADKV-XGNXJENSSA-N 1 0 318.377 3.007 20 5 DGBDRO Cc1sc(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1[N+](=O)[O-] ZINC000877134722 623800452 /nfs/dbraw/zinc/80/04/52/623800452.db2.gz HHYZQJAFVMDWAI-NWDGAFQWSA-N 1 0 317.370 3.032 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCCCCO ZINC000877138279 623804042 /nfs/dbraw/zinc/80/40/42/623804042.db2.gz SFYXTEYXUBLMFM-UHFFFAOYSA-N 1 0 320.311 3.256 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCc4sccc43)C2)c1 ZINC000877388354 623864780 /nfs/dbraw/zinc/86/47/80/623864780.db2.gz YPIJIRIIBONUJP-QIMFLAQGSA-N 1 0 318.402 3.224 20 5 DGBDRO C[C@H](CC1CCCCC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877483892 623905516 /nfs/dbraw/zinc/90/55/16/623905516.db2.gz TVCXTMKDYXFAHK-LRVUVFPRSA-N 1 0 306.410 3.443 20 5 DGBDRO C[C@@H]1CCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@@H]1C ZINC000877495453 623911040 /nfs/dbraw/zinc/91/10/40/623911040.db2.gz WZFVRVUIBLXEBK-SFHDSZBYSA-N 1 0 306.410 3.157 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000877508232 623917229 /nfs/dbraw/zinc/91/72/29/623917229.db2.gz UEUWLLLYIJBYKH-KRWDZBQOSA-N 1 0 304.390 3.214 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000877595632 623955503 /nfs/dbraw/zinc/95/55/03/623955503.db2.gz AAYKHRJZEYPFHT-HNNXBMFYSA-N 1 0 306.406 3.196 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c(Cl)c1 ZINC000877737056 624010872 /nfs/dbraw/zinc/01/08/72/624010872.db2.gz GPZXPSXPGSWASN-VXGBXAGGSA-N 1 0 312.822 3.433 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877739901 624012070 /nfs/dbraw/zinc/01/20/70/624012070.db2.gz ICUWQCJBQPBBGK-JBQASTCHSA-N 1 0 315.417 3.024 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877744539 624016510 /nfs/dbraw/zinc/01/65/10/624016510.db2.gz VGNXRXIQKBSHNH-DOTOQJQBSA-N 1 0 317.433 3.244 20 5 DGBDRO C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)C1=CC[N@H+](C)CC1 ZINC000781394952 624065371 /nfs/dbraw/zinc/06/53/71/624065371.db2.gz RCZMMVFTMQJIQC-SNVBAGLBSA-N 1 0 318.402 3.267 20 5 DGBDRO C[C@@H]1CCCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878450820 624281546 /nfs/dbraw/zinc/28/15/46/624281546.db2.gz ANUPQTCRHYWVFP-GFCCVEGCSA-N 1 0 316.361 3.267 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878565130 624309403 /nfs/dbraw/zinc/30/94/03/624309403.db2.gz FYEKHIXZDXFGKC-BHYGNILZSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC000878813016 624366013 /nfs/dbraw/zinc/36/60/13/624366013.db2.gz WPLRANMZNKYKDQ-SNVBAGLBSA-N 1 0 304.350 3.169 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000783569436 624367611 /nfs/dbraw/zinc/36/76/11/624367611.db2.gz GTLVXHHFLPQLBH-NWDGAFQWSA-N 1 0 311.813 3.163 20 5 DGBDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783636990 624378064 /nfs/dbraw/zinc/37/80/64/624378064.db2.gz ARPNXCTUESFOFN-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO CC(C)(CCCO)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783652716 624379839 /nfs/dbraw/zinc/37/98/39/624379839.db2.gz PXOQKLUAGJYXDB-UHFFFAOYSA-N 1 0 300.786 3.137 20 5 DGBDRO COC[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783676235 624382672 /nfs/dbraw/zinc/38/26/72/624382672.db2.gz GPWPZKWOTJIBKF-ZDUSSCGKSA-N 1 0 312.797 3.497 20 5 DGBDRO C[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)[NH+]1CCCCCC1 ZINC000783784486 624395957 /nfs/dbraw/zinc/39/59/57/624395957.db2.gz PVYSBLGGHKWBSC-GFCCVEGCSA-N 1 0 324.352 3.042 20 5 DGBDRO Cc1ccc(C[NH+]2CCC3(CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000878969080 624398820 /nfs/dbraw/zinc/39/88/20/624398820.db2.gz JSVCLDHIQOSVNG-UHFFFAOYSA-N 1 0 302.374 3.238 20 5 DGBDRO COC(=O)C1C[C@H](C)[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000879067699 624418934 /nfs/dbraw/zinc/41/89/34/624418934.db2.gz XKUXMHLOIZZUQP-STQMWFEESA-N 1 0 320.389 3.065 20 5 DGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000805769031 624585872 /nfs/dbraw/zinc/58/58/72/624585872.db2.gz QYOWUGLRRGEHHV-BLLLJJGKSA-N 1 0 323.824 3.307 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879733439 624657513 /nfs/dbraw/zinc/65/75/13/624657513.db2.gz VXJDHCOWPYGABB-OAHLLOKOSA-N 1 0 308.353 3.315 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879735471 624657666 /nfs/dbraw/zinc/65/76/66/624657666.db2.gz XQXSQCNJFBTOEW-MRXNPFEDSA-N 1 0 320.389 3.185 20 5 DGBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000785546028 624684300 /nfs/dbraw/zinc/68/43/00/624684300.db2.gz KEQQIFRJNLPCJG-HFAKWTLXSA-N 1 0 312.797 3.230 20 5 DGBDRO OC[C@@H](O)C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000785979630 624773270 /nfs/dbraw/zinc/77/32/70/624773270.db2.gz ACUDHEVKYJJCHM-LBPRGKRZSA-N 1 0 315.800 3.089 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](CF)C3)co2)cc1 ZINC000880237657 624861858 /nfs/dbraw/zinc/86/18/58/624861858.db2.gz ZIWHTYCAERVWMU-GFCCVEGCSA-N 1 0 319.336 3.431 20 5 DGBDRO CCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128325824 624899569 /nfs/dbraw/zinc/89/95/69/624899569.db2.gz ZRSJVFPNJJCQOX-UHFFFAOYSA-N 1 0 323.368 3.185 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC3(CCCCO3)CC2)cc1 ZINC000880455631 624959316 /nfs/dbraw/zinc/95/93/16/624959316.db2.gz WRKJUZGQMOJQDY-UHFFFAOYSA-N 1 0 320.389 3.009 20 5 DGBDRO O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786883495 624961491 /nfs/dbraw/zinc/96/14/91/624961491.db2.gz RDMFQXIFVHWJJJ-INIZCTEOSA-N 1 0 318.373 3.045 20 5 DGBDRO C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788585879 625221856 /nfs/dbraw/zinc/22/18/56/625221856.db2.gz XECCRRJEAJQQNY-SNVBAGLBSA-N 1 0 321.327 3.349 20 5 DGBDRO C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788664199 625238333 /nfs/dbraw/zinc/23/83/33/625238333.db2.gz IKIAEFJRQGHCAT-MJEQTWJJSA-N 1 0 311.385 3.459 20 5 DGBDRO C[C@@H](NCC[C@H](C)[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788739710 625254966 /nfs/dbraw/zinc/25/49/66/625254966.db2.gz NUEVGCVJZKUMRS-UONOGXRCSA-N 1 0 320.437 3.092 20 5 DGBDRO C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788740840 625255037 /nfs/dbraw/zinc/25/50/37/625255037.db2.gz RICNWDRSDMDMMT-AGIUHOORSA-N 1 0 307.394 3.033 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000791414641 625795617 /nfs/dbraw/zinc/79/56/17/625795617.db2.gz XTECMYXARWPBES-GFCCVEGCSA-N 1 0 311.813 3.416 20 5 DGBDRO COCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000792464056 625947118 /nfs/dbraw/zinc/94/71/18/625947118.db2.gz KRSDHLJWRVBOOQ-SWLSCSKDSA-N 1 0 310.369 3.371 20 5 DGBDRO Cc1ccccc1[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796115368 626023307 /nfs/dbraw/zinc/02/33/07/626023307.db2.gz YYJDOSWDMMHDMS-SFHVURJKSA-N 1 0 314.385 3.111 20 5 DGBDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000796449264 626050613 /nfs/dbraw/zinc/05/06/13/626050613.db2.gz GVLACJSNELTWGQ-GOSISDBHSA-N 1 0 314.385 3.289 20 5 DGBDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000796452783 626051278 /nfs/dbraw/zinc/05/12/78/626051278.db2.gz XLIZEPGSOCAJEZ-SFHVURJKSA-N 1 0 314.385 3.289 20 5 DGBDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000796486774 626055883 /nfs/dbraw/zinc/05/58/83/626055883.db2.gz QBPRKVCOVDFAKZ-KDOFPFPSSA-N 1 0 314.385 3.423 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000798542030 626225544 /nfs/dbraw/zinc/22/55/44/626225544.db2.gz DHTMPDQMXYDGBY-CQSZACIVSA-N 1 0 323.393 3.052 20 5 DGBDRO C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000799731026 626325524 /nfs/dbraw/zinc/32/55/24/626325524.db2.gz KVJAYDURNZOBSK-RHSMWYFYSA-N 1 0 314.385 3.239 20 5 DGBDRO Nc1ccc([N+](=O)[O-])c(NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000800857436 626379398 /nfs/dbraw/zinc/37/93/98/626379398.db2.gz RXLRXPZTANZRNS-UHFFFAOYSA-N 1 0 318.421 3.386 20 5 DGBDRO O=[N+]([O-])c1ccnn1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000800866583 626380688 /nfs/dbraw/zinc/38/06/88/626380688.db2.gz ODAURNZJQVKWMA-MUJYYYPQSA-N 1 0 312.373 3.159 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000801528972 626407665 /nfs/dbraw/zinc/40/76/65/626407665.db2.gz XRAGBKNYEFTYGW-JTQLQIEISA-N 1 0 319.292 3.493 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC1(Cl)Cl ZINC000801600751 626411773 /nfs/dbraw/zinc/41/17/73/626411773.db2.gz UEUWHFAOGBDBEM-NSHDSACASA-N 1 0 303.189 3.263 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CC[C@H](OC(F)F)C2)ccc1Cl ZINC000801987984 626428743 /nfs/dbraw/zinc/42/87/43/626428743.db2.gz GHONSDWHPSOZRQ-VIFPVBQESA-N 1 0 306.696 3.062 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803696397 626627866 /nfs/dbraw/zinc/62/78/66/626627866.db2.gz FFYCTQTXSMIMSR-DOMZBBRYSA-N 1 0 308.378 3.094 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000883271014 626630948 /nfs/dbraw/zinc/63/09/48/626630948.db2.gz CODMRWQIBPPTJE-YRGRVCCFSA-N 1 0 308.378 3.069 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000883272903 626631654 /nfs/dbraw/zinc/63/16/54/626631654.db2.gz YVSYWABJAAZHSB-AXAPSJFSSA-N 1 0 304.390 3.332 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000883340296 626653444 /nfs/dbraw/zinc/65/34/44/626653444.db2.gz NMNDSXCSMXFSBR-INIZCTEOSA-N 1 0 318.398 3.234 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883364590 626662569 /nfs/dbraw/zinc/66/25/69/626662569.db2.gz JUDBLAJGBIIQNQ-OMVNSRBRSA-N 1 0 302.374 3.299 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC2(COC2)CC1 ZINC000883379251 626666952 /nfs/dbraw/zinc/66/69/52/626666952.db2.gz UUQQILLHFSGYND-CQSZACIVSA-N 1 0 318.417 3.465 20 5 DGBDRO CC(C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000804341129 626671379 /nfs/dbraw/zinc/67/13/79/626671379.db2.gz ZIAIMDFWEWIXHQ-AWEZNQCLSA-N 1 0 322.365 3.035 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCCC[C@@H]1C ZINC000804352986 626672803 /nfs/dbraw/zinc/67/28/03/626672803.db2.gz UGZOTQVOXZJSSR-LBPRGKRZSA-N 1 0 305.378 3.084 20 5 DGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804352921 626673058 /nfs/dbraw/zinc/67/30/58/626673058.db2.gz ZBQQRYCVAPFGOP-ZIAGYGMSSA-N 1 0 320.437 3.347 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000804442097 626680268 /nfs/dbraw/zinc/68/02/68/626680268.db2.gz MSMXEBQVGCAHOI-ZDUSSCGKSA-N 1 0 309.797 3.313 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C(C)(C)C[NH+](C)C ZINC000804502808 626688101 /nfs/dbraw/zinc/68/81/01/626688101.db2.gz ANXBBDDLNPPCDK-GFCCVEGCSA-N 1 0 307.394 3.186 20 5 DGBDRO C[NH+](C)[C@@]1(CNc2cc(Cl)ccc2[N+](=O)[O-])CCSC1 ZINC000804532764 626690695 /nfs/dbraw/zinc/69/06/95/626690695.db2.gz JODMNLNUPJYBEY-CYBMUJFWSA-N 1 0 315.826 3.097 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCCC[NH+]1CCC(C)CC1 ZINC000807917887 626777463 /nfs/dbraw/zinc/77/74/63/626777463.db2.gz BQIRAOVFTRNXBW-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[C@@H](C)[NH+]1CCCCC1 ZINC000808016767 626787794 /nfs/dbraw/zinc/78/77/94/626787794.db2.gz VCIUDZVJCNURHD-CYBMUJFWSA-N 1 0 319.405 3.474 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000800087875 626804495 /nfs/dbraw/zinc/80/44/95/626804495.db2.gz KCCSDSXGUNBXLH-UHFFFAOYSA-N 1 0 314.769 3.137 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000800124971 626810471 /nfs/dbraw/zinc/81/04/71/626810471.db2.gz WNPKYZBWMJZAOU-UHFFFAOYSA-N 1 0 314.769 3.137 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1ccccc1 ZINC000808447138 626825228 /nfs/dbraw/zinc/82/52/28/626825228.db2.gz XTPMXEBNLSRCGG-BDJLRTHQSA-N 1 0 320.776 3.460 20 5 DGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808727536 626854314 /nfs/dbraw/zinc/85/43/14/626854314.db2.gz HCQXYCFUSCJGFD-OLZOCXBDSA-N 1 0 317.389 3.023 20 5 DGBDRO Cc1nn(C[N@@H+](C)C2CC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840163335 626893976 /nfs/dbraw/zinc/89/39/76/626893976.db2.gz HTVIVCBGNQHHIF-UHFFFAOYSA-N 1 0 302.378 3.331 20 5 DGBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])c(Cl)c4)[C@H]1[C@H]3C2 ZINC000809698112 626937917 /nfs/dbraw/zinc/93/79/17/626937917.db2.gz VVMMAUMXOYYNPA-PVIIJVKYSA-N 1 0 322.792 3.103 20 5 DGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809698113 626938239 /nfs/dbraw/zinc/93/82/39/626938239.db2.gz VVMMAUMXOYYNPA-SCYJSFNGSA-N 1 0 322.792 3.103 20 5 DGBDRO CC[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000809733014 626943078 /nfs/dbraw/zinc/94/30/78/626943078.db2.gz OOAHMJTYOOZVSX-KDOFPFPSSA-N 1 0 314.385 3.412 20 5 DGBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000809733013 626943188 /nfs/dbraw/zinc/94/31/88/626943188.db2.gz OOAHMJTYOOZVSX-KBXCAEBGSA-N 1 0 314.385 3.412 20 5 DGBDRO [NH3+]CCN(Cc1ccc2cnccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000809734441 626943221 /nfs/dbraw/zinc/94/32/21/626943221.db2.gz DPXIADJMUDMLQR-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO Cc1cc(F)ccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736344 626943380 /nfs/dbraw/zinc/94/33/80/626943380.db2.gz PZCYXBPNPAAXCC-UHFFFAOYSA-N 1 0 303.337 3.008 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000840190291 626967776 /nfs/dbraw/zinc/96/77/76/626967776.db2.gz VIARKBLDZJBPJF-ZDUSSCGKSA-N 1 0 300.362 3.024 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000885959184 627070437 /nfs/dbraw/zinc/07/04/37/627070437.db2.gz UYSBMVIYHLXNAP-MRXNPFEDSA-N 1 0 315.348 3.336 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000886010097 627082415 /nfs/dbraw/zinc/08/24/15/627082415.db2.gz DKLQXOWAIQKZSV-UHFFFAOYSA-N 1 0 315.348 3.336 20 5 DGBDRO CCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000886018561 627085690 /nfs/dbraw/zinc/08/56/90/627085690.db2.gz CFBQWSOSZSUNPD-ZNMIVQPWSA-N 1 0 319.405 3.015 20 5 DGBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886030273 627088853 /nfs/dbraw/zinc/08/88/53/627088853.db2.gz IEBKZXXLRFZYCJ-HOCLYGCPSA-N 1 0 311.385 3.443 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000886034941 627090120 /nfs/dbraw/zinc/09/01/20/627090120.db2.gz IKMBODPIPGDCJA-UHFFFAOYSA-N 1 0 307.419 3.242 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@]34C[C@H]3COC4)s2)cc1 ZINC000886201309 627120774 /nfs/dbraw/zinc/12/07/74/627120774.db2.gz AAYWQAWQVHNDOJ-LRDDRELGSA-N 1 0 316.382 3.202 20 5 DGBDRO COc1ccc(F)cc1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000886312227 627135037 /nfs/dbraw/zinc/13/50/37/627135037.db2.gz XOGJOZJSBCPXGZ-UHFFFAOYSA-N 1 0 310.350 3.136 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)cc1[N+](=O)[O-] ZINC000886646501 627179465 /nfs/dbraw/zinc/17/94/65/627179465.db2.gz LBIBHUMILIQEJW-INIZCTEOSA-N 1 0 302.378 3.124 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886703178 627194927 /nfs/dbraw/zinc/19/49/27/627194927.db2.gz ODOAHLZVQBMGGO-SWLSCSKDSA-N 1 0 302.374 3.131 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000886707337 627195534 /nfs/dbraw/zinc/19/55/34/627195534.db2.gz FEGPZPUEQQGJPR-UHFFFAOYSA-N 1 0 303.406 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000886822696 627208534 /nfs/dbraw/zinc/20/85/34/627208534.db2.gz UETOBWBIMFZEGD-DOMZBBRYSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870066 627211681 /nfs/dbraw/zinc/21/16/81/627211681.db2.gz OTQAAIHEDHGJCH-INIZCTEOSA-N 1 0 323.824 3.214 20 5 DGBDRO C[C@H]([NH2+]CC1(C2(O)CCC2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000886974216 627217644 /nfs/dbraw/zinc/21/76/44/627217644.db2.gz RZHNXCYQUWGLAQ-ZDUSSCGKSA-N 1 0 304.390 3.331 20 5 DGBDRO O=C(C[NH2+]C1(C2CC2)CCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000887146208 627229810 /nfs/dbraw/zinc/22/98/10/627229810.db2.gz LFNOMDPGQOUNRI-UHFFFAOYSA-N 1 0 323.780 3.109 20 5 DGBDRO C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000300247175 627263331 /nfs/dbraw/zinc/26/33/31/627263331.db2.gz VEZMHMSCAZAGGF-RDDDGLTNSA-N 1 0 304.177 3.075 20 5 DGBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000811859706 627330350 /nfs/dbraw/zinc/33/03/50/627330350.db2.gz YRJPIEFTWRUEGL-SNVBAGLBSA-N 1 0 308.407 3.345 20 5 DGBDRO Cc1cc(N2CCCC3(CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000812474963 627389885 /nfs/dbraw/zinc/38/98/85/627389885.db2.gz LKJUOOACQXEDDC-UHFFFAOYSA-N 1 0 321.396 3.355 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCCCC[N@@H+](C)C1CC1 ZINC000840316353 627554576 /nfs/dbraw/zinc/55/45/76/627554576.db2.gz NCPSVQZRNHAPRC-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815590411 627688348 /nfs/dbraw/zinc/68/83/48/627688348.db2.gz VIYGGQICVKHOFQ-RYUDHWBXSA-N 1 0 300.362 3.292 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627152 627692155 /nfs/dbraw/zinc/69/21/55/627692155.db2.gz VGGWQAZXBOCAPB-AAEUAGOBSA-N 1 0 313.357 3.004 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000924954222 627697460 /nfs/dbraw/zinc/69/74/60/627697460.db2.gz HYIZQCHSGASHRU-CJNGLKHVSA-N 1 0 322.405 3.024 20 5 DGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(O)cc(F)c1 ZINC000925151187 627713169 /nfs/dbraw/zinc/71/31/69/627713169.db2.gz ARZADXMIDALILC-NSHDSACASA-N 1 0 304.321 3.333 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cn2c(n1)CCCC2 ZINC000925154949 627714035 /nfs/dbraw/zinc/71/40/35/627714035.db2.gz SOBSXRFBUIKWSX-CYBMUJFWSA-N 1 0 314.389 3.021 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCc3c2nccc3Cl)cc1 ZINC000925310491 627729196 /nfs/dbraw/zinc/72/91/96/627729196.db2.gz BBRGHXDDHPLMGO-CQSZACIVSA-N 1 0 303.749 3.420 20 5 DGBDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000925514531 627745717 /nfs/dbraw/zinc/74/57/17/627745717.db2.gz QOEPMOUSXYJBFZ-DZGCQCFKSA-N 1 0 312.797 3.399 20 5 DGBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccns1 ZINC000926441027 627896189 /nfs/dbraw/zinc/89/61/89/627896189.db2.gz WVNPLFFQTXJCDW-JTQLQIEISA-N 1 0 316.386 3.426 20 5 DGBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc(C)n1 ZINC000817590180 627927476 /nfs/dbraw/zinc/92/74/76/627927476.db2.gz VSWKYSPKTYTUTH-GFCCVEGCSA-N 1 0 300.362 3.040 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)C2(Br)CC2)cc1[N+](=O)[O-] ZINC000926795351 627956543 /nfs/dbraw/zinc/95/65/43/627956543.db2.gz IOMRPYJFKGXMOV-JTQLQIEISA-N 1 0 313.195 3.309 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000926835179 627962149 /nfs/dbraw/zinc/96/21/49/627962149.db2.gz IWDHUWDUTQGOTA-LXTVHRRPSA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@@H](NCC[NH2+]C1CCCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817960953 627975571 /nfs/dbraw/zinc/97/55/71/627975571.db2.gz VCAJZQRTCSZSIB-CYBMUJFWSA-N 1 0 320.437 3.140 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926916664 627979916 /nfs/dbraw/zinc/97/99/16/627979916.db2.gz SEHKLHCJZDFRRU-CSMYWGQOSA-N 1 0 320.389 3.213 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926920350 627981221 /nfs/dbraw/zinc/98/12/21/627981221.db2.gz VBUSAKAXBKSWGE-ZTFGCOKTSA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926949735 627987907 /nfs/dbraw/zinc/98/79/07/627987907.db2.gz NMYSZZSMRHDFPN-UJNFCWOMSA-N 1 0 303.284 3.026 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC2CC=CC2)n1 ZINC000926952006 627988575 /nfs/dbraw/zinc/98/85/75/627988575.db2.gz IVTKTBVYADMKQY-GJZGRUSLSA-N 1 0 304.394 3.221 20 5 DGBDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000927017895 627998969 /nfs/dbraw/zinc/99/89/69/627998969.db2.gz NBZYSTVYCKZTIE-GXTWGEPZSA-N 1 0 310.394 3.195 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@]23C[C@H]2CCC3)n1 ZINC000927121584 628020575 /nfs/dbraw/zinc/02/05/75/628020575.db2.gz MBERBAUHFJNGGG-CTASWTNQSA-N 1 0 304.394 3.055 20 5 DGBDRO C[C@@H](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000818992869 628074907 /nfs/dbraw/zinc/07/49/07/628074907.db2.gz FQLUEKAQQJPEBT-KSSFIOAISA-N 1 0 314.385 3.412 20 5 DGBDRO Cc1cccc([C@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819097821 628091997 /nfs/dbraw/zinc/09/19/97/628091997.db2.gz OOWLHMYECGKBFN-KDOFPFPSSA-N 1 0 314.385 3.330 20 5 DGBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000819103568 628092491 /nfs/dbraw/zinc/09/24/91/628092491.db2.gz JTECRUKLFZSKJC-LRDDRELGSA-N 1 0 320.414 3.158 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)c2cccc(Cl)c2)c1 ZINC000819191999 628110183 /nfs/dbraw/zinc/11/01/83/628110183.db2.gz WILQOJCVBOJGLG-INIZCTEOSA-N 1 0 320.776 3.114 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC2=CCCCCC2)c1 ZINC000819236939 628118759 /nfs/dbraw/zinc/11/87/59/628118759.db2.gz YTMPHMPAEZTEQJ-KRWDZBQOSA-N 1 0 304.390 3.498 20 5 DGBDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000819259301 628122301 /nfs/dbraw/zinc/12/23/01/628122301.db2.gz GLULMMVVMAMCFI-KRWDZBQOSA-N 1 0 318.348 3.174 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000819258998 628122447 /nfs/dbraw/zinc/12/24/47/628122447.db2.gz DCKRUDNUJZKLMR-QGZVFWFLSA-N 1 0 300.358 3.035 20 5 DGBDRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819261588 628122800 /nfs/dbraw/zinc/12/28/00/628122800.db2.gz FGYKALPNGDDYEL-MFKMUULPSA-N 1 0 320.311 3.339 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCC(F)(F)C2)c1 ZINC000819291188 628128180 /nfs/dbraw/zinc/12/81/80/628128180.db2.gz QYRWKBBHMAJFHG-FZMZJTMJSA-N 1 0 314.332 3.043 20 5 DGBDRO CSCC1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819340963 628136966 /nfs/dbraw/zinc/13/69/66/628136966.db2.gz BLFHUJRNTSKLIG-LDZOIKDWSA-N 1 0 324.446 3.140 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])C1 ZINC000820671019 628285037 /nfs/dbraw/zinc/28/50/37/628285037.db2.gz ZESDJWYOXDOPFZ-AWEZNQCLSA-N 1 0 321.421 3.080 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])C1 ZINC000820671020 628285197 /nfs/dbraw/zinc/28/51/97/628285197.db2.gz ZESDJWYOXDOPFZ-CQSZACIVSA-N 1 0 321.421 3.080 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000821272760 628352109 /nfs/dbraw/zinc/35/21/09/628352109.db2.gz XXBCSDABOJGARE-CYBMUJFWSA-N 1 0 301.321 3.118 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C3CC3)nn2C)cc1[N+](=O)[O-] ZINC000823961394 628613966 /nfs/dbraw/zinc/61/39/66/628613966.db2.gz RMNWHHYCZCTJIL-GFCCVEGCSA-N 1 0 314.389 3.365 20 5 DGBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000824445607 628661573 /nfs/dbraw/zinc/66/15/73/628661573.db2.gz HIKBDMOPLDKJOG-GFCCVEGCSA-N 1 0 323.824 3.164 20 5 DGBDRO CC(F)(F)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824482722 628664553 /nfs/dbraw/zinc/66/45/53/628664553.db2.gz DFWLLIYAZAJXMC-UHFFFAOYSA-N 1 0 313.348 3.199 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Cl ZINC000824721240 628687039 /nfs/dbraw/zinc/68/70/39/628687039.db2.gz ABXJVUNOZQMFHV-XNRPHZJLSA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)ccc1Cl ZINC000824844630 628699354 /nfs/dbraw/zinc/69/93/54/628699354.db2.gz CALPTYSKHNKPQN-CJNGLKHVSA-N 1 0 324.808 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)ccc1Cl ZINC000824844628 628699598 /nfs/dbraw/zinc/69/95/98/628699598.db2.gz CALPTYSKHNKPQN-BBRMVZONSA-N 1 0 324.808 3.135 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825337593 628751591 /nfs/dbraw/zinc/75/15/91/628751591.db2.gz HDVGGRLSTFBYCR-CQSZACIVSA-N 1 0 311.813 3.163 20 5 DGBDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827252226 628942065 /nfs/dbraw/zinc/94/20/65/628942065.db2.gz ZINRPBGURMMWML-UHFFFAOYSA-N 1 0 320.780 3.149 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1F ZINC000828906263 629107726 /nfs/dbraw/zinc/10/77/26/629107726.db2.gz VSHDBUJCLMCNHB-HIFRSBDPSA-N 1 0 308.353 3.125 20 5 DGBDRO Cc1ccccc1CC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000830391052 629262467 /nfs/dbraw/zinc/26/24/67/629262467.db2.gz KBSZPMGSYRJEGH-SFHVURJKSA-N 1 0 314.385 3.111 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000831352990 629366527 /nfs/dbraw/zinc/36/65/27/629366527.db2.gz IPUAYTFDZRARFJ-CABCVRRESA-N 1 0 310.369 3.416 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@@H](C)C1 ZINC000832692703 629504919 /nfs/dbraw/zinc/50/49/19/629504919.db2.gz XUVYRFZRURJQSE-FHIRATQRSA-N 1 0 306.406 3.433 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000837473440 630263706 /nfs/dbraw/zinc/26/37/06/630263706.db2.gz DNDZGWKFFLJFHI-ZDUSSCGKSA-N 1 0 324.352 3.154 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1ccco1)CCCC2 ZINC000841744435 630461130 /nfs/dbraw/zinc/46/11/30/630461130.db2.gz NWVMJNNEFHRJDO-CVEARBPZSA-N 1 0 316.357 3.279 20 5 DGBDRO Cc1ccc(-c2noc([C@H](C(C)C)[C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000841824400 630469139 /nfs/dbraw/zinc/46/91/39/630469139.db2.gz NTQCVIVZFNUHKB-GXFFZTMASA-N 1 0 304.350 3.040 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842755362 630571698 /nfs/dbraw/zinc/57/16/98/630571698.db2.gz XWLSUGRNNDHSPD-CMPLNLGQSA-N 1 0 300.786 3.135 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000842834776 630582865 /nfs/dbraw/zinc/58/28/65/630582865.db2.gz ZXFQZISPCURXQP-LBPRGKRZSA-N 1 0 324.352 3.011 20 5 DGBDRO [NH3+]C[C@@H]1CN(Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000843065107 630610655 /nfs/dbraw/zinc/61/06/55/630610655.db2.gz IZDXTFMULJXDLL-QGZVFWFLSA-N 1 0 306.409 3.153 20 5 DGBDRO CCCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC000843422116 630656311 /nfs/dbraw/zinc/65/63/11/630656311.db2.gz LLXXYPUKYYXILH-ZDUSSCGKSA-N 1 0 311.813 3.164 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843427650 630657472 /nfs/dbraw/zinc/65/74/72/630657472.db2.gz SWSFXVFAVAUVBH-CMPLNLGQSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1cc(-c2noc([C@@H]3CC[C@@H](C4CC4)[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000844918776 630980598 /nfs/dbraw/zinc/98/05/98/630980598.db2.gz DLZPCAKFIJKUBK-KBPBESRZSA-N 1 0 314.345 3.156 20 5 DGBDRO Cc1cc(-c2noc([C@@H]3CC[C@H](C4CC4)[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000844918777 630980814 /nfs/dbraw/zinc/98/08/14/630980814.db2.gz DLZPCAKFIJKUBK-KGLIPLIRSA-N 1 0 314.345 3.156 20 5 DGBDRO Cc1cc(-c2noc([C@H]3CC[C@@H](C4CC4)[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000844918778 630981053 /nfs/dbraw/zinc/98/10/53/630981053.db2.gz DLZPCAKFIJKUBK-UONOGXRCSA-N 1 0 314.345 3.156 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000845475819 631177405 /nfs/dbraw/zinc/17/74/05/631177405.db2.gz JNTRREGSHBQFKO-JTQLQIEISA-N 1 0 315.776 3.354 20 5 DGBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846019376 631206615 /nfs/dbraw/zinc/20/66/15/631206615.db2.gz YXAINCUZUSJSGG-GXFFZTMASA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000848520455 631675341 /nfs/dbraw/zinc/67/53/41/631675341.db2.gz PENJFCKKVHHOIC-NVXWUHKLSA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000848527014 631677730 /nfs/dbraw/zinc/67/77/30/631677730.db2.gz OYRCMUZJKNSNHK-RDJZCZTQSA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CSCCS1 ZINC000848530753 631679772 /nfs/dbraw/zinc/67/97/72/631679772.db2.gz FXBNOWXDEBXOLP-ZWNOBZJWSA-N 1 0 310.444 3.020 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848787868 631748483 /nfs/dbraw/zinc/74/84/83/631748483.db2.gz XKRHXUOCVCYKAB-IRXDYDNUSA-N 1 0 317.389 3.226 20 5 DGBDRO Cn1c(Cl)ncc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000848880141 631768258 /nfs/dbraw/zinc/76/82/58/631768258.db2.gz ASBMVLXKJPLWES-UHFFFAOYSA-N 1 0 320.780 3.146 20 5 DGBDRO C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000849324658 631891653 /nfs/dbraw/zinc/89/16/53/631891653.db2.gz XITZSVPJAGJCLM-GDLCADMTSA-N 1 0 312.316 3.060 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000849328101 631892865 /nfs/dbraw/zinc/89/28/65/631892865.db2.gz ZRFHJOCVCVDRAN-SJORKVTESA-N 1 0 316.332 3.214 20 5 DGBDRO Cc1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000849329122 631893281 /nfs/dbraw/zinc/89/32/81/631893281.db2.gz MOAPELIIEFYKFK-SFHVURJKSA-N 1 0 314.385 3.077 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)C1CC1 ZINC000850525735 632180548 /nfs/dbraw/zinc/18/05/48/632180548.db2.gz QFEQDCQNIZADDC-HOTGVXAUSA-N 1 0 316.401 3.217 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)C1CC1 ZINC000850525737 632180693 /nfs/dbraw/zinc/18/06/93/632180693.db2.gz QFEQDCQNIZADDC-HZPDHXFCSA-N 1 0 316.401 3.217 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CO)C1CCC1 ZINC000852320813 632586559 /nfs/dbraw/zinc/58/65/59/632586559.db2.gz PBIVFCYGKWCOBS-LBPRGKRZSA-N 1 0 319.188 3.152 20 5 DGBDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000227372400 659154372 /nfs/dbraw/zinc/15/43/72/659154372.db2.gz GRRLEYVSBOMKAE-LBPRGKRZSA-N 1 0 300.786 3.135 20 5 DGBDRO O=C(CC[N@@H+]1CCC2(CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000173821666 659402553 /nfs/dbraw/zinc/40/25/53/659402553.db2.gz NDVMZNNBJJFGJD-UHFFFAOYSA-N 1 0 317.389 3.190 20 5 DGBDRO CCCC[NH+](CCCC)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794621068 661094391 /nfs/dbraw/zinc/09/43/91/661094391.db2.gz RZOVDTSXZQBURW-UHFFFAOYSA-N 1 0 321.377 3.362 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCSC[C@@H]2C2CC2)cc1F ZINC000933918356 655738181 /nfs/dbraw/zinc/73/81/81/655738181.db2.gz SLNGIEMUWDUQKQ-OAHLLOKOSA-N 1 0 310.394 3.451 20 5 DGBDRO CC(C)[NH+](CCNCc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000084439736 655752912 /nfs/dbraw/zinc/75/29/12/655752912.db2.gz PBSUQGGJUZTZJJ-UHFFFAOYSA-N 1 0 313.829 3.457 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)c(F)c1 ZINC000509444544 661187889 /nfs/dbraw/zinc/18/78/89/661187889.db2.gz RJKQWDQCXSVQNN-AWEZNQCLSA-N 1 0 316.332 3.217 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000715968854 661216683 /nfs/dbraw/zinc/21/66/83/661216683.db2.gz WHULIWCNEUMYLN-QWHCGFSZSA-N 1 0 308.378 3.035 20 5 DGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[NH2+]C(C)(C)C ZINC000930556662 656093605 /nfs/dbraw/zinc/09/36/05/656093605.db2.gz REYOJJHGGYCUEP-UHFFFAOYSA-N 1 0 321.421 3.110 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931918556 656813973 /nfs/dbraw/zinc/81/39/73/656813973.db2.gz VLSGFWXJGVBQFE-LBPRGKRZSA-N 1 0 318.270 3.461 20 5 DGBDRO CC(C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000178868978 657092884 /nfs/dbraw/zinc/09/28/84/657092884.db2.gz YHECZQOEPYOGKP-MRXNPFEDSA-N 1 0 318.348 3.292 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000262379597 657539008 /nfs/dbraw/zinc/53/90/08/657539008.db2.gz YOAUAUSQSFYMHD-AWEZNQCLSA-N 1 0 317.776 3.138 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCCCCCC1 ZINC000007486845 657552164 /nfs/dbraw/zinc/55/21/64/657552164.db2.gz RTOSESIRJUBJJU-UHFFFAOYSA-N 1 0 305.378 3.108 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CCCCC2)ccc1Cl ZINC000042503413 658844906 /nfs/dbraw/zinc/84/49/06/658844906.db2.gz GLTQWLCPKNSFOX-UHFFFAOYSA-N 1 0 312.797 3.375 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCCn2ccnc2)c1 ZINC000045105842 658942748 /nfs/dbraw/zinc/94/27/48/658942748.db2.gz QMKLFQZPGWIQKK-UHFFFAOYSA-N 1 0 308.769 3.015 20 5 DGBDRO CC(C)(CCCO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227964382 659169152 /nfs/dbraw/zinc/16/91/52/659169152.db2.gz CCKOSWUGMAZYKB-UHFFFAOYSA-N 1 0 300.786 3.137 20 5 DGBDRO C[N@H+](CCc1cccs1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000173405403 659385294 /nfs/dbraw/zinc/38/52/94/659385294.db2.gz OVNJWUAOLFVZPZ-UHFFFAOYSA-N 1 0 316.386 3.138 20 5 DGBDRO CC[C@@H](CSC)[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179785868 659941665 /nfs/dbraw/zinc/94/16/65/659941665.db2.gz HSOHBOCROAULJS-LBPRGKRZSA-N 1 0 322.434 3.284 20 5 DGBDRO O=[N+]([O-])CC[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000930067920 661363094 /nfs/dbraw/zinc/36/30/94/661363094.db2.gz PRDSIBYMOGDQFH-UHFFFAOYSA-N 1 0 300.811 3.173 20 5 DGBDRO CCc1onc(C)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930354642 661391867 /nfs/dbraw/zinc/39/18/67/661391867.db2.gz RJZPNLRYROUREH-UHFFFAOYSA-N 1 0 303.362 3.128 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000932181753 661545318 /nfs/dbraw/zinc/54/53/18/661545318.db2.gz CEWFTQDLIHFGTD-MELADBBJSA-N 1 0 319.405 3.035 20 5 DGBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000932371029 661562570 /nfs/dbraw/zinc/56/25/70/661562570.db2.gz RXDUIKPYTWCCMY-LLVKDONJSA-N 1 0 319.361 3.153 20 5 DGBDRO COc1ccc(C[NH+]2CCC(CSC)CC2)cc1[N+](=O)[O-] ZINC000932592177 661583796 /nfs/dbraw/zinc/58/37/96/661583796.db2.gz ONNRPXLSEWIVRL-UHFFFAOYSA-N 1 0 310.419 3.178 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC23CCCCC3)c(F)c1 ZINC000933875894 661664452 /nfs/dbraw/zinc/66/44/52/661664452.db2.gz XWGIAMJBAZUDDK-HNNXBMFYSA-N 1 0 308.353 3.315 20 5 DGBDRO CCOc1cc(C[NH2+][C@H](CCO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000934009005 661673820 /nfs/dbraw/zinc/67/38/20/661673820.db2.gz DEPIYTCNOPAFCM-OAHLLOKOSA-N 1 0 322.405 3.024 20 5 DGBDRO CCCCC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000934204626 661687781 /nfs/dbraw/zinc/68/77/81/661687781.db2.gz DITWVISNUZIRBE-UHFFFAOYSA-N 1 0 323.368 3.375 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934840908 661740534 /nfs/dbraw/zinc/74/05/34/661740534.db2.gz GKCDHDNRCXKIHR-ZIAGYGMSSA-N 1 0 322.380 3.373 20 5 DGBDRO [NH3+]C1CC2(C1)CC(Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])C2 ZINC001580165150 1192011404 /nfs/dbraw/zinc/01/14/04/1192011404.db2.gz GEKLDGUPBDPVGX-UHFFFAOYSA-N 1 0 315.295 3.295 20 5 DGBDRO [NH3+]C1CCC(Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001580173582 1192011830 /nfs/dbraw/zinc/01/18/30/1192011830.db2.gz XMMKKHYHRHFOEJ-UHFFFAOYSA-N 1 0 303.284 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001580874919 1192043411 /nfs/dbraw/zinc/04/34/11/1192043411.db2.gz OWODRTRHPFHOKN-HNNXBMFYSA-N 1 0 309.797 3.218 20 5 DGBDRO Cc1cc(NC(=O)c2ccc3c[nH+]cn3c2C)cc([N+](=O)[O-])c1 ZINC001586467029 1192332657 /nfs/dbraw/zinc/33/26/57/1192332657.db2.gz DZQMTYQFCPVFNT-UHFFFAOYSA-N 1 0 310.313 3.112 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001332280176 1178410916 /nfs/dbraw/zinc/41/09/16/1178410916.db2.gz ZXTAPDFZOBDCDC-QWHCGFSZSA-N 1 0 309.385 3.116 20 5 DGBDRO Cc1ccc(C[N@@H+](Cc2ccccc2)[C@H](C)CO)cc1[N+](=O)[O-] ZINC001333007386 1178539129 /nfs/dbraw/zinc/53/91/29/1178539129.db2.gz BGFHIVKVYWZZAJ-OAHLLOKOSA-N 1 0 314.385 3.286 20 5 DGBDRO CC[NH+](CC)C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001333571989 1178629646 /nfs/dbraw/zinc/62/96/46/1178629646.db2.gz NZZLXJFHYOPTFB-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO CC(C)([NH2+]Cc1ccc(O)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001333755371 1178668947 /nfs/dbraw/zinc/66/89/47/1178668947.db2.gz YAVWWIBBLJFKGP-UHFFFAOYSA-N 1 0 304.321 3.464 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001334955794 1178833961 /nfs/dbraw/zinc/83/39/61/1178833961.db2.gz IDILAYFIDHTVDO-IINYFYTJSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001344075999 1179375862 /nfs/dbraw/zinc/37/58/62/1179375862.db2.gz QUNWNBDAEIQODM-CQSZACIVSA-N 1 0 300.362 3.006 20 5 DGBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001350943515 1180147995 /nfs/dbraw/zinc/14/79/95/1180147995.db2.gz FBJJEHGWIUCJQO-XJKSGUPXSA-N 1 0 319.405 3.037 20 5 DGBDRO C[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC001351315731 1180198515 /nfs/dbraw/zinc/19/85/15/1180198515.db2.gz QNSMIAFWFUILGI-LBPRGKRZSA-N 1 0 311.813 3.211 20 5 DGBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCC(C)CC1 ZINC001458101188 1182496863 /nfs/dbraw/zinc/49/68/63/1182496863.db2.gz WOWDIXURLPYXAE-OAHLLOKOSA-N 1 0 324.400 3.297 20 5 DGBDRO C[N@H+](CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)C1CCCC1 ZINC001458166617 1182502180 /nfs/dbraw/zinc/50/21/80/1182502180.db2.gz MUHQHYHVNWGXPM-UHFFFAOYSA-N 1 0 318.421 3.155 20 5 DGBDRO Cc1cc(N2CC[NH+](C3CCCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC001458276030 1182510559 /nfs/dbraw/zinc/51/05/59/1182510559.db2.gz LIBOYYRUQAXMKO-UHFFFAOYSA-N 1 0 321.396 3.497 20 5 DGBDRO CCC[C@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001458557203 1182538900 /nfs/dbraw/zinc/53/89/00/1182538900.db2.gz ZJNLNRPFDKWPKW-VIFPVBQESA-N 1 0 318.204 3.480 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001460731916 1182713786 /nfs/dbraw/zinc/71/37/86/1182713786.db2.gz BKVUPOKCQZYNON-INIZCTEOSA-N 1 0 316.332 3.387 20 5 DGBDRO Cc1ccc(C[N@@H+](C)C[C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC001460970224 1182747204 /nfs/dbraw/zinc/74/72/04/1182747204.db2.gz FUOXTTPWJMSMNE-IAGOWNOFSA-N 1 0 304.390 3.294 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CCO)C3CC3)o2)cc1 ZINC001461233579 1182783177 /nfs/dbraw/zinc/78/31/77/1182783177.db2.gz ZTMYBCYTPDJRDT-MRXNPFEDSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)c1 ZINC001461406972 1182807207 /nfs/dbraw/zinc/80/72/07/1182807207.db2.gz YWGWOQMQNKELCH-UHFFFAOYSA-N 1 0 322.368 3.317 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C12CCC2 ZINC001461566473 1182828407 /nfs/dbraw/zinc/82/84/07/1182828407.db2.gz RYNSQTBXHKFSBK-HZPDHXFCSA-N 1 0 304.390 3.259 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cccc1[N+](=O)[O-] ZINC001461648578 1182837437 /nfs/dbraw/zinc/83/74/37/1182837437.db2.gz PGFSTQCJDXQATH-CGTJXYLNSA-N 1 0 312.344 3.470 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC001462106515 1182908084 /nfs/dbraw/zinc/90/80/84/1182908084.db2.gz RHQRXDUXVUDDFU-LBPRGKRZSA-N 1 0 308.378 3.177 20 5 DGBDRO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001462273131 1182930872 /nfs/dbraw/zinc/93/08/72/1182930872.db2.gz UNKCQXLUKDEGBX-NEPJUHHUSA-N 1 0 308.378 3.225 20 5 DGBDRO C[NH+](C)Cc1ccc(NCCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001462336418 1182941242 /nfs/dbraw/zinc/94/12/42/1182941242.db2.gz JEOYHPOBHLVSHT-UHFFFAOYSA-N 1 0 317.364 3.450 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC001472675043 1183664933 /nfs/dbraw/zinc/66/49/33/1183664933.db2.gz KDDOHAXPEJGUPG-AWEZNQCLSA-N 1 0 306.410 3.365 20 5 DGBDRO COC[C@@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(C)C ZINC001473233340 1183734031 /nfs/dbraw/zinc/73/40/31/1183734031.db2.gz KOLQTMVDZYXMPB-OAHLLOKOSA-N 1 0 306.406 3.478 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC001473278649 1183739121 /nfs/dbraw/zinc/73/91/21/1183739121.db2.gz KBJUSAVPRPBLSK-UONOGXRCSA-N 1 0 308.426 3.294 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCSCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001473445550 1183757992 /nfs/dbraw/zinc/75/79/92/1183757992.db2.gz PDDCHYNQDKWZEA-GFCCVEGCSA-N 1 0 310.419 3.321 20 5 DGBDRO CC[C@@H]1C[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CC)O1 ZINC001473563488 1183773473 /nfs/dbraw/zinc/77/34/73/1183773473.db2.gz CXDKAMQMONRPEV-HZPDHXFCSA-N 1 0 322.405 3.253 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001473594502 1183777931 /nfs/dbraw/zinc/77/79/31/1183777931.db2.gz LFXKNJJHGDQUSH-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001473722881 1183793553 /nfs/dbraw/zinc/79/35/53/1183793553.db2.gz RFRWSCOQVUJBLZ-ZDUSSCGKSA-N 1 0 302.296 3.293 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccccc1[N+](=O)[O-] ZINC001473878335 1183817225 /nfs/dbraw/zinc/81/72/25/1183817225.db2.gz VYRHULOGKJEKMT-SJLPKXTDSA-N 1 0 317.433 3.290 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOCC23CCCC3)c(F)c1 ZINC001473893156 1183819838 /nfs/dbraw/zinc/81/98/38/1183819838.db2.gz NXFCBGQDJWQUPC-HNNXBMFYSA-N 1 0 308.353 3.173 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC001474391309 1183914297 /nfs/dbraw/zinc/91/42/97/1183914297.db2.gz LOKGLCSWXMUIEB-PBHICJAKSA-N 1 0 306.406 3.195 20 5 DGBDRO CCSc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001474463546 1183925893 /nfs/dbraw/zinc/92/58/93/1183925893.db2.gz RXPLLJMTCXUZOO-UHFFFAOYSA-N 1 0 317.414 3.434 20 5 DGBDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001474646727 1183954929 /nfs/dbraw/zinc/95/49/29/1183954929.db2.gz HIIHKZXZHPXRCS-RDJZCZTQSA-N 1 0 320.389 3.115 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC001474697722 1183963637 /nfs/dbraw/zinc/96/36/37/1183963637.db2.gz CPNXBEVFLFXQLY-CQSZACIVSA-N 1 0 306.406 3.195 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCc2cc(O)ccc2C1 ZINC001474757998 1183973860 /nfs/dbraw/zinc/97/38/60/1183973860.db2.gz VZPIRRVWFDQUON-UHFFFAOYSA-N 1 0 312.369 3.476 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001613026602 1193466235 /nfs/dbraw/zinc/46/62/35/1193466235.db2.gz HNVSBSOYTUWGQS-ZDUSSCGKSA-N 1 0 300.362 3.039 20 5 DGBDRO Cc1cc(NC(=O)NC(C)(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001526957359 1187401482 /nfs/dbraw/zinc/40/14/82/1187401482.db2.gz PXJSIUBNNZFWND-UHFFFAOYSA-N 1 0 322.409 3.145 20 5 DGBDRO Cc1cccc(C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC(C)C)c1 ZINC001615285438 1193519606 /nfs/dbraw/zinc/51/96/06/1193519606.db2.gz DWIIXPVEJIZKHZ-UHFFFAOYSA-N 1 0 316.405 3.295 20 5 DGBDRO CC[NH+](CC)CCCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001559134790 1189174082 /nfs/dbraw/zinc/17/40/82/1189174082.db2.gz JGPLWIPMMODHRK-UHFFFAOYSA-N 1 0 320.437 3.403 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001559235061 1189184678 /nfs/dbraw/zinc/18/46/78/1189184678.db2.gz VNQUNLXOMNMXIN-LBPRGKRZSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001559266598 1189189508 /nfs/dbraw/zinc/18/95/08/1189189508.db2.gz HGQFCYDQQWAAIG-OAHLLOKOSA-N 1 0 309.385 3.209 20 5 DGBDRO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001559768531 1189240120 /nfs/dbraw/zinc/24/01/20/1189240120.db2.gz GTRQVJDYFXDQEU-RWMBFGLXSA-N 1 0 305.378 3.042 20 5 DGBDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC001559839895 1189247243 /nfs/dbraw/zinc/24/72/43/1189247243.db2.gz QSMMFVCPXDNCOW-JKSUJKDBSA-N 1 0 304.390 3.293 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001559937232 1189259139 /nfs/dbraw/zinc/25/91/39/1189259139.db2.gz XGFHITCGFAENCY-LSDHHAIUSA-N 1 0 320.437 3.248 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@H]1[C@@H]1CCCO1 ZINC001560224224 1189293480 /nfs/dbraw/zinc/29/34/80/1189293480.db2.gz ROGKARMLDIMFAF-HOTGVXAUSA-N 1 0 308.353 3.267 20 5 DGBDRO COCCCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001560269667 1189303891 /nfs/dbraw/zinc/30/38/91/1189303891.db2.gz MAOFJWSPZHYTCQ-UHFFFAOYSA-N 1 0 304.346 3.371 20 5 DGBDRO CCCn1cncc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001560357414 1189317048 /nfs/dbraw/zinc/31/70/48/1189317048.db2.gz MLEAXXPEQHIRBH-ZDUSSCGKSA-N 1 0 302.378 3.361 20 5 DGBDRO [NH3+]CCN(Cc1ccc2cc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC001560815383 1189386630 /nfs/dbraw/zinc/38/66/30/1189386630.db2.gz CIXZRMWEIYCICD-UHFFFAOYSA-N 1 0 310.357 3.041 20 5 DGBDRO CC(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@@H](C)[NH3+] ZINC001575408763 1191479637 /nfs/dbraw/zinc/47/96/37/1191479637.db2.gz WGYCFHGNSFGVEN-BZNIZROVSA-N 1 0 315.373 3.306 20 5 DGBDRO CC(C)C[C@@](C)(C[NH3+])C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001575531201 1191489584 /nfs/dbraw/zinc/48/95/84/1191489584.db2.gz PULFSDSNKBOPTK-AWEZNQCLSA-N 1 0 313.785 3.198 20 5 DGBDRO C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC001576164129 1191534685 /nfs/dbraw/zinc/53/46/85/1191534685.db2.gz KRHUWJMQVCCXJG-RYUDHWBXSA-N 1 0 313.357 3.106 20 5 DGBDRO C[C@H]([NH3+])c1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001576167351 1191535138 /nfs/dbraw/zinc/53/51/38/1191535138.db2.gz DHSUCVKLTTZBJS-VIFPVBQESA-N 1 0 303.293 3.006 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CC3(O)CCCCC3)C2)cc1 ZINC001618027357 1193721807 /nfs/dbraw/zinc/72/18/07/1193721807.db2.gz LVHHNIMEGLMZFF-MRXNPFEDSA-N 1 0 318.417 3.469 20 5 DGBDRO CN(CCCC[NH+]1CCCCC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001620533358 1193776501 /nfs/dbraw/zinc/77/65/01/1193776501.db2.gz MYLOVSVKCKDOII-UHFFFAOYSA-N 1 0 323.412 3.432 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001621233150 1193819677 /nfs/dbraw/zinc/81/96/77/1193819677.db2.gz HCZUNPKYBGYSCY-NSHDSACASA-N 1 0 308.378 3.177 20 5 DGBDRO Cc1cc(N2CC[NH2+][C@@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC001640438935 1194813550 /nfs/dbraw/zinc/81/35/50/1194813550.db2.gz UMPBRLSVKRADIA-CYBMUJFWSA-N 1 0 303.387 3.116 20 5 DGBDRO CCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC001641817397 1194872984 /nfs/dbraw/zinc/87/29/84/1194872984.db2.gz UILYUTNDQZMFQJ-CABCVRRESA-N 1 0 321.421 3.405 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC001642693883 1194929392 /nfs/dbraw/zinc/92/93/92/1194929392.db2.gz WAVJURUHWCWZSV-NSHDSACASA-N 1 0 313.348 3.453 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001643810957 1195056612 /nfs/dbraw/zinc/05/66/12/1195056612.db2.gz HOEBVSRXNFYQJE-HGTKMLMNSA-N 1 0 304.390 3.057 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC(C)(C)O1 ZINC001645598482 1195194131 /nfs/dbraw/zinc/19/41/31/1195194131.db2.gz BDECKAOQUHFAKV-HNNXBMFYSA-N 1 0 306.406 3.417 20 5 DGBDRO CO[C@]1(C)C[C@@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001645714228 1195198113 /nfs/dbraw/zinc/19/81/13/1195198113.db2.gz WXPCCFONKZXWPV-NVXWUHKLSA-N 1 0 322.405 3.157 20 5 DGBDRO CN(C[C@H]1CCC[N@@H+]1C)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001651166352 1195422058 /nfs/dbraw/zinc/42/20/58/1195422058.db2.gz OCNBBUHSEINGLB-SECBINFHSA-N 1 0 318.204 3.432 20 5 DGBDRO C[N@@H+]1C[C@@]2(C)CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC001651302167 1195441166 /nfs/dbraw/zinc/44/11/66/1195441166.db2.gz ZMRWLSVFLKBRRC-GASCZTMLSA-N 1 0 309.797 3.026 20 5 DGBDRO C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC001651373620 1195451363 /nfs/dbraw/zinc/45/13/63/1195451363.db2.gz JKUVEPBRVJNWCX-MNOVXSKESA-N 1 0 313.348 3.405 20 5 DGBDRO CCC[C@@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC001652028739 1195539282 /nfs/dbraw/zinc/53/92/82/1195539282.db2.gz XFCJMTFJIYZZPN-ZDUSSCGKSA-N 1 0 300.786 3.195 20 5 DGBDRO CC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC001652066978 1195544214 /nfs/dbraw/zinc/54/42/14/1195544214.db2.gz QAQFRSQHTKIUAX-UHFFFAOYSA-N 1 0 303.406 3.297 20 5 DGBDRO CC(C)C[N@H+](CCc1ccccc1)Cc1cn(C)nc1[N+](=O)[O-] ZINC001652354524 1195586744 /nfs/dbraw/zinc/58/67/44/1195586744.db2.gz WCDUFCRXFBLMGX-UHFFFAOYSA-N 1 0 316.405 3.029 20 5 DGBDRO CCc1cccc(F)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001652407415 1195593404 /nfs/dbraw/zinc/59/34/04/1195593404.db2.gz OXLYYTQIXIGJIE-UHFFFAOYSA-N 1 0 317.364 3.262 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001652654603 1195633215 /nfs/dbraw/zinc/63/32/15/1195633215.db2.gz MQJCLIFMTZJUAY-QIDGOZRWSA-N 1 0 316.401 3.355 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@H+](CC2CC2)CC2CCC2)c1 ZINC001653423909 1195718625 /nfs/dbraw/zinc/71/86/25/1195718625.db2.gz QAFPWTOEYBYNFA-UHFFFAOYSA-N 1 0 304.390 3.486 20 5 DGBDRO Cc1ccc(C[N@@H+](CCO)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001653830164 1195753543 /nfs/dbraw/zinc/75/35/43/1195753543.db2.gz IYSGMGXUCGHYDW-HNNXBMFYSA-N 1 0 314.385 3.459 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001654367951 1195796720 /nfs/dbraw/zinc/79/67/20/1195796720.db2.gz GYLBVEQDCIASMF-JKSUJKDBSA-N 1 0 322.405 3.157 20 5 DGBDRO CC[N@H+]1[C@H](C)CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC001654906899 1195853337 /nfs/dbraw/zinc/85/33/37/1195853337.db2.gz CZBBCASEZKIEBC-TXEJJXNPSA-N 1 0 311.813 3.163 20 5 DGBDRO CC[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[NH+]1CCCC1 ZINC001654966233 1195860018 /nfs/dbraw/zinc/86/00/18/1195860018.db2.gz LHXGZTCEFJBTJD-CQSZACIVSA-N 1 0 318.421 3.155 20 5 DGBDRO C[C@@]12CSC[C@@H]1C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC001655017006 1195865122 /nfs/dbraw/zinc/86/51/22/1195865122.db2.gz NDCLVFKAXBYHNX-SMDDNHRTSA-N 1 0 312.822 3.433 20 5 DGBDRO C[C@H](CC[NH+](C)C)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001655057934 1195870969 /nfs/dbraw/zinc/87/09/69/1195870969.db2.gz DCYYWMLASGIETB-SECBINFHSA-N 1 0 305.300 3.366 20 5 DGBDRO Cc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001655529016 1195927887 /nfs/dbraw/zinc/92/78/87/1195927887.db2.gz OQKORTWTQOZHHI-UHFFFAOYSA-N 1 0 304.321 3.211 20 5 DGBDRO C[C@@H]1CSCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001655828018 1195967335 /nfs/dbraw/zinc/96/73/35/1195967335.db2.gz XPRGLXNLHDGVEO-CYBMUJFWSA-N 1 0 310.419 3.191 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1 ZINC001655942869 1195980517 /nfs/dbraw/zinc/98/05/17/1195980517.db2.gz RCSUVSIDTHYZGC-DLBZAZTESA-N 1 0 303.406 3.294 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(F)(C2CC2)CC1 ZINC001656365274 1196033188 /nfs/dbraw/zinc/03/31/88/1196033188.db2.gz TVYBVZOLZZCKAJ-UHFFFAOYSA-N 1 0 308.353 3.188 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC001656628466 1196055713 /nfs/dbraw/zinc/05/57/13/1196055713.db2.gz SGOZOFQWTAXOTB-LBPRGKRZSA-N 1 0 316.357 3.468 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc3cnccc32)cc1 ZINC001657109242 1196106896 /nfs/dbraw/zinc/10/68/96/1196106896.db2.gz LFPBMRZOAAHAQL-UHFFFAOYSA-N 1 0 323.352 3.312 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H](C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC001657143967 1196110491 /nfs/dbraw/zinc/11/04/91/1196110491.db2.gz SXLMXFCCIOWNPM-JTQLQIEISA-N 1 0 321.402 3.262 20 5 DGBDRO CC[C@]1(C)CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001657251917 1196123951 /nfs/dbraw/zinc/12/39/51/1196123951.db2.gz ALBVHZHQQCXLTD-MRXNPFEDSA-N 1 0 308.378 3.321 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cncc3ccccc32)c1 ZINC001657713225 1196171408 /nfs/dbraw/zinc/17/14/08/1196171408.db2.gz VHQOJTOFGAYDCJ-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO COc1ccc(C[NH2+]CCC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC001657752883 1196175300 /nfs/dbraw/zinc/17/53/00/1196175300.db2.gz QLVMVXIWYQAIAK-AWEZNQCLSA-N 1 0 308.378 3.042 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccnc3ccccc23)c1 ZINC001658253516 1196231437 /nfs/dbraw/zinc/23/14/37/1196231437.db2.gz JFUYKUJKFRBACC-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)CCC(C)C ZINC001658285270 1196235105 /nfs/dbraw/zinc/23/51/05/1196235105.db2.gz VLBMCAABWIKLFO-IDJPSDCMSA-N 1 0 306.406 3.385 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC001658375395 1196248858 /nfs/dbraw/zinc/24/88/58/1196248858.db2.gz ULDFWQZTMWLPDU-CYBMUJFWSA-N 1 0 300.786 3.399 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001658515762 1196268888 /nfs/dbraw/zinc/26/88/88/1196268888.db2.gz MYFJBGISVVPYHE-CYBMUJFWSA-N 1 0 322.405 3.493 20 5 DGBDRO COc1ccc(C[NH2+]CCCc2ccsc2)cc1[N+](=O)[O-] ZINC001658777829 1196299610 /nfs/dbraw/zinc/29/96/10/1196299610.db2.gz JYCWGMOIFRCPBV-UHFFFAOYSA-N 1 0 306.387 3.387 20 5 DGBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001659510370 1196391306 /nfs/dbraw/zinc/39/13/06/1196391306.db2.gz HZQUEMNXKVENQX-ZWNOBZJWSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1ccc(C[NH2+]C2CC(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001660495648 1196491235 /nfs/dbraw/zinc/49/12/35/1196491235.db2.gz JEIVQXIGWLJDOB-UHFFFAOYSA-N 1 0 320.389 3.113 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCNCc1cccc([N+](=O)[O-])c1C ZINC001661391245 1196601060 /nfs/dbraw/zinc/60/10/60/1196601060.db2.gz OBYSARJVHKZQFT-MRXNPFEDSA-N 1 0 305.422 3.257 20 5 DGBDRO CC[C@H](O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001661553466 1196618168 /nfs/dbraw/zinc/61/81/68/1196618168.db2.gz UCSLXSOJLOROJM-HNNXBMFYSA-N 1 0 318.373 3.496 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cccc2nccn21)c1cccc([N+](=O)[O-])c1 ZINC001661949459 1196665710 /nfs/dbraw/zinc/66/57/10/1196665710.db2.gz BEAHDMHHCAFZOH-MRXNPFEDSA-N 1 0 310.357 3.483 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[C@H]1CCCCO1 ZINC001662168279 1196689472 /nfs/dbraw/zinc/68/94/72/1196689472.db2.gz OKSGRHSKLPETDR-MRXNPFEDSA-N 1 0 322.405 3.432 20 5 DGBDRO COc1ccc(C[NH2+]CC[C@H]2CCC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001663370477 1196849786 /nfs/dbraw/zinc/84/97/86/1196849786.db2.gz IINXQTUNAZOLRH-CQSZACIVSA-N 1 0 322.405 3.288 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC001663405301 1196860152 /nfs/dbraw/zinc/86/01/52/1196860152.db2.gz NLZXHKZFVLFYDM-QLEMLULZSA-N 1 0 324.446 3.107 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC2(CSC2)CC1 ZINC001664003734 1196964205 /nfs/dbraw/zinc/96/42/05/1196964205.db2.gz UEGRKTYQPZXWBT-UHFFFAOYSA-N 1 0 322.430 3.369 20 5 DGBDRO COc1c(O)ccc(C[N@H+](CC2CCC2)C(C)C)c1[N+](=O)[O-] ZINC001664498847 1197007360 /nfs/dbraw/zinc/00/73/60/1197007360.db2.gz UHIRZNTVBOUJGA-UHFFFAOYSA-N 1 0 308.378 3.320 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CO ZINC001664716289 1197042913 /nfs/dbraw/zinc/04/29/13/1197042913.db2.gz GKBXEMYAUCFBLZ-MXASKKJJSA-N 1 0 318.417 3.057 20 5 DGBDRO C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001665377775 1197129988 /nfs/dbraw/zinc/12/99/88/1197129988.db2.gz GNFRXENRCJSWGX-DHCBQETCSA-N 1 0 320.389 3.487 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)c(OC(F)(F)F)c(F)c1 ZINC001227647920 1096965798 /nfs/dbraw/zinc/96/57/98/1096965798.db2.gz LDMXDUVRLUHZLP-QMMMGPOBSA-N 1 0 314.274 3.337 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC001169541976 1081587901 /nfs/dbraw/zinc/58/79/01/1081587901.db2.gz WTWISJZUPPPRAV-AWEZNQCLSA-N 1 0 320.437 3.392 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1c2ccccc2CNC1=O ZINC001169886200 1081666124 /nfs/dbraw/zinc/66/61/24/1081666124.db2.gz VITKKGXSLGQMDP-LJQANCHMSA-O 1 0 324.448 3.066 20 5 DGBDRO C[NH+](C)CCc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001210397777 1081956624 /nfs/dbraw/zinc/95/66/24/1081956624.db2.gz HJMKPHKOPKLKRP-UHFFFAOYSA-N 1 0 301.346 3.148 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170295908 1082337813 /nfs/dbraw/zinc/33/78/13/1082337813.db2.gz XNMDOYNGAOUVTN-ZDUSSCGKSA-N 1 0 300.358 3.324 20 5 DGBDRO CCCCC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304709 1082339263 /nfs/dbraw/zinc/33/92/63/1082339263.db2.gz GASKKSNKQISKBH-STQMWFEESA-N 1 0 322.405 3.272 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccoc2)c([N+](=O)[O-])c1 ZINC001170315926 1082344883 /nfs/dbraw/zinc/34/48/83/1082344883.db2.gz ZGDYOZZJQROKCW-RYUDHWBXSA-N 1 0 304.346 3.478 20 5 DGBDRO COc1ccc(C[C@H](C)[NH+]2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC001170328272 1082347580 /nfs/dbraw/zinc/34/75/80/1082347580.db2.gz IRJHBWWLGXBWTG-NSHDSACASA-N 1 0 314.332 3.266 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@](C)(CF)C2)c([N+](=O)[O-])c1 ZINC001170328716 1082347738 /nfs/dbraw/zinc/34/77/38/1082347738.db2.gz LQVSCQALEOLRFD-BLLLJJGKSA-N 1 0 310.369 3.216 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170329779 1082347793 /nfs/dbraw/zinc/34/77/93/1082347793.db2.gz UHZIFHVLBUQJIM-TZMCWYRMSA-N 1 0 310.369 3.358 20 5 DGBDRO CCOC1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170348494 1082356489 /nfs/dbraw/zinc/35/64/89/1082356489.db2.gz XTAATMNXTJZKBC-ZDUSSCGKSA-N 1 0 322.405 3.035 20 5 DGBDRO COc1ccc(C[C@H](C)[N@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170345424 1082357051 /nfs/dbraw/zinc/35/70/51/1082357051.db2.gz KGHNZAFHNYFHOW-XJKSGUPXSA-N 1 0 322.405 3.035 20 5 DGBDRO C[NH2+]CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)C ZINC001157830193 1082454263 /nfs/dbraw/zinc/45/42/63/1082454263.db2.gz NFQJCLCOMBDZDY-UHFFFAOYSA-N 1 0 321.208 3.121 20 5 DGBDRO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001167633309 1082627189 /nfs/dbraw/zinc/62/71/89/1082627189.db2.gz DKMOXDYFADULMP-INIZCTEOSA-N 1 0 312.369 3.420 20 5 DGBDRO CCN(c1cc(C)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCC[NH2+]C1 ZINC001158200491 1082636547 /nfs/dbraw/zinc/63/65/47/1082636547.db2.gz MDOMGUOJSQJBCE-AWEZNQCLSA-N 1 0 314.389 3.030 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217974217 1082977548 /nfs/dbraw/zinc/97/75/48/1082977548.db2.gz DKEBXIJZNKQZBM-SKDRFNHKSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CC[C@@H]4CCC[C@H]34)nc2c1 ZINC001181267604 1083438980 /nfs/dbraw/zinc/43/89/80/1083438980.db2.gz RVPPIDFDZOJSRI-WCFLWFBJSA-N 1 0 300.362 3.139 20 5 DGBDRO Cc1cc(C)cc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001181267217 1083439692 /nfs/dbraw/zinc/43/96/92/1083439692.db2.gz PAQFJYUPWVVWHS-UHFFFAOYSA-N 1 0 324.384 3.420 20 5 DGBDRO CC(C)C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001182764283 1083791069 /nfs/dbraw/zinc/79/10/69/1083791069.db2.gz MKXANBAVGSAGAE-NSHDSACASA-N 1 0 321.204 3.398 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001183374284 1083940818 /nfs/dbraw/zinc/94/08/18/1083940818.db2.gz HODSZHBDZBKFKB-OKILXGFUSA-N 1 0 320.396 3.062 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2SCCS2)c1 ZINC000692875995 1083992130 /nfs/dbraw/zinc/99/21/30/1083992130.db2.gz ZHMYVYGIIQAZFD-UHFFFAOYSA-N 1 0 304.824 3.144 20 5 DGBDRO C[NH+]1C[C@]2(C)CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001187215452 1084775691 /nfs/dbraw/zinc/77/56/91/1084775691.db2.gz HOSCWFYRIDXTDE-HUUCEWRRSA-N 1 0 309.797 3.026 20 5 DGBDRO CC[N@@H+]1CC[C@@H]1CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001187423836 1084799858 /nfs/dbraw/zinc/79/98/58/1084799858.db2.gz XIFZZDFRMWXECZ-SNVBAGLBSA-N 1 0 317.311 3.428 20 5 DGBDRO COc1cc(N(C(N)=[NH2+])c2ccc(F)cc2)cc([N+](=O)[O-])c1C ZINC001167992583 1086056961 /nfs/dbraw/zinc/05/69/61/1086056961.db2.gz QWCMPDFNFNNDSL-UHFFFAOYSA-N 1 0 318.308 3.082 20 5 DGBDRO Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC001299187818 1087028119 /nfs/dbraw/zinc/02/81/19/1087028119.db2.gz JJTXLPAUXLYJHY-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO COc1ccccc1[C@H](OCCC[N+](C)(C)C)C(F)(F)F ZINC001224621240 1087416950 /nfs/dbraw/zinc/41/69/50/1087416950.db2.gz PJUPAPRVOISKPQ-AWEZNQCLSA-N 1 0 306.348 3.412 20 5 DGBDRO Cc1ccc(Br)c(O[C@H](C)C[N+](C)(C)C)c1F ZINC001234210983 1087773306 /nfs/dbraw/zinc/77/33/06/1087773306.db2.gz PWDUIRMXRBTMAW-SNVBAGLBSA-N 1 0 305.211 3.370 20 5 DGBDRO CC(C)[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1C ZINC001158494958 1087867336 /nfs/dbraw/zinc/86/73/36/1087867336.db2.gz FLBKDWNXFQOOGE-ZDUSSCGKSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@]1(C[NH3+])CCCN(c2ccc3ccc4cccnc4c3n2)C1 ZINC001158674937 1087969184 /nfs/dbraw/zinc/96/91/84/1087969184.db2.gz FVMVKUDOPATVNQ-LJQANCHMSA-N 1 0 306.413 3.348 20 5 DGBDRO Cc1ccnc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC001159592484 1088407010 /nfs/dbraw/zinc/40/70/10/1088407010.db2.gz VXFANKVYHZCNLX-LBPRGKRZSA-N 1 0 323.356 3.171 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2ccccc2OC2CC[NH2+]CC2)cc1 ZINC001159796308 1088487955 /nfs/dbraw/zinc/48/79/55/1088487955.db2.gz JIPIALNVDLLNSV-UHFFFAOYSA-N 1 0 313.357 3.469 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2ccc3c(c2)C[NH2+]CCO3)c(Cl)c1 ZINC001159797053 1088490208 /nfs/dbraw/zinc/49/02/08/1088490208.db2.gz QQXAYDTWUQLVJJ-UHFFFAOYSA-N 1 0 319.748 3.474 20 5 DGBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160171388 1088684116 /nfs/dbraw/zinc/68/41/16/1088684116.db2.gz GLITUEBKRDMQTB-CQSZACIVSA-N 1 0 317.320 3.218 20 5 DGBDRO Cc1ccc(Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)c([N+](=O)[O-])c1 ZINC001160399787 1088784438 /nfs/dbraw/zinc/78/44/38/1088784438.db2.gz NJXZTNLAOUYCQQ-BDJLRTHQSA-N 1 0 311.341 3.095 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001154984172 1088869173 /nfs/dbraw/zinc/86/91/73/1088869173.db2.gz DMKCOCUPPXFLOS-UWVGGRQHSA-N 1 0 320.780 3.478 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001154984173 1088871718 /nfs/dbraw/zinc/87/17/18/1088871718.db2.gz DMKCOCUPPXFLOS-VHSXEESVSA-N 1 0 320.780 3.478 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001155024998 1088902168 /nfs/dbraw/zinc/90/21/68/1088902168.db2.gz KSDXEKJWOYXADQ-CHWSQXEVSA-N 1 0 314.389 3.191 20 5 DGBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001155123815 1088961971 /nfs/dbraw/zinc/96/19/71/1088961971.db2.gz KCUGANVUIKFOKB-MRXNPFEDSA-N 1 0 318.352 3.037 20 5 DGBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001155248475 1089025013 /nfs/dbraw/zinc/02/50/13/1089025013.db2.gz UPFXALXCPSIVOQ-QMMMGPOBSA-N 1 0 317.736 3.002 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CCNc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001160964340 1089046756 /nfs/dbraw/zinc/04/67/56/1089046756.db2.gz LZWSLHBYBMBVBY-MRVPVSSYSA-N 1 0 319.192 3.193 20 5 DGBDRO [NH3+]CCc1cccc(Nc2nccc3ccc([N+](=O)[O-])cc32)c1 ZINC001161078100 1089106498 /nfs/dbraw/zinc/10/64/98/1089106498.db2.gz XJFVRZAEAQCAFC-UHFFFAOYSA-N 1 0 308.341 3.388 20 5 DGBDRO CCC(CC)[NH+]1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC001161094688 1089111865 /nfs/dbraw/zinc/11/18/65/1089111865.db2.gz GRQBUHUQMUKZPW-UHFFFAOYSA-N 1 0 306.410 3.363 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(N[C@H]2C[NH2+]Cc3ccsc32)nc1Cl ZINC001155560124 1089164085 /nfs/dbraw/zinc/16/40/85/1089164085.db2.gz XQUPXTBYFNATFO-VIFPVBQESA-N 1 0 324.793 3.270 20 5 DGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ncc([N+](=O)[O-])cc1F ZINC001155989232 1089334686 /nfs/dbraw/zinc/33/46/86/1089334686.db2.gz FJCNBZMKIVWLGQ-UHFFFAOYSA-N 1 0 320.711 3.185 20 5 DGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NCCCC[NH+](C)C ZINC001161730637 1089376765 /nfs/dbraw/zinc/37/67/65/1089376765.db2.gz NHBPHCRYVXPEFT-UHFFFAOYSA-N 1 0 315.801 3.319 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@@H+](C)C2)nc1Cl ZINC001156379964 1089496804 /nfs/dbraw/zinc/49/68/04/1089496804.db2.gz XQMFDTDTDIPCMZ-NSHDSACASA-N 1 0 312.801 3.095 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001156495528 1089548129 /nfs/dbraw/zinc/54/81/29/1089548129.db2.gz FRELTNBKODTWSE-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1NCCn1nc(C)cc1C ZINC001162147877 1089573396 /nfs/dbraw/zinc/57/33/96/1089573396.db2.gz GRKFLKBACABYPX-UHFFFAOYSA-N 1 0 301.458 3.208 20 5 DGBDRO C[N@@H+]1CCC[C@@](C)(Nc2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001162341374 1089684080 /nfs/dbraw/zinc/68/40/80/1089684080.db2.gz LQQCBXKUBBEEMR-MRXNPFEDSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC001162457773 1089741772 /nfs/dbraw/zinc/74/17/72/1089741772.db2.gz RFHREBRMFVHESU-QWHCGFSZSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001162456578 1089741883 /nfs/dbraw/zinc/74/18/83/1089741883.db2.gz JQCCMPWJYHKDOG-DGCLKSJQSA-N 1 0 302.378 3.124 20 5 DGBDRO C[C@@H]1C[C@@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001162556679 1089788487 /nfs/dbraw/zinc/78/84/87/1089788487.db2.gz QDWNRNSLYGOVEY-RKDXNWHRSA-N 1 0 303.284 3.024 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162572451 1089798451 /nfs/dbraw/zinc/79/84/51/1089798451.db2.gz GEGOZLXDUCYFKH-MRXNPFEDSA-N 1 0 318.352 3.037 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@]2(F)CCCC[NH2+]C2)c2ccncc21 ZINC001162583230 1089808524 /nfs/dbraw/zinc/80/85/24/1089808524.db2.gz LICXFYNHDMCTDB-MRXNPFEDSA-N 1 0 318.352 3.037 20 5 DGBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2cnc(F)c([N+](=O)[O-])c2)c1 ZINC001162907324 1090017490 /nfs/dbraw/zinc/01/74/90/1090017490.db2.gz BSPQCZMRZMVPCN-VIFPVBQESA-N 1 0 300.293 3.093 20 5 DGBDRO Cc1c(C)c(N2CCC(C)([NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001157659704 1090061645 /nfs/dbraw/zinc/06/16/45/1090061645.db2.gz JSAJJNDFTGRTPB-UHFFFAOYSA-N 1 0 318.421 3.061 20 5 DGBDRO [NH3+]CC[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)c2ccccc21 ZINC001157738761 1090092290 /nfs/dbraw/zinc/09/22/90/1090092290.db2.gz DSVSVZIXNPQRKP-SNVBAGLBSA-N 1 0 318.764 3.227 20 5 DGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001163232095 1090127941 /nfs/dbraw/zinc/12/79/41/1090127941.db2.gz OZLYDEUTJLLBJE-CYBMUJFWSA-N 1 0 322.365 3.035 20 5 DGBDRO Cc1c(C)c(N(CC(C)(C)C)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001157883780 1090139412 /nfs/dbraw/zinc/13/94/12/1090139412.db2.gz DZQXLLIAJWOMNW-UHFFFAOYSA-N 1 0 320.437 3.211 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H](C[NH3+])c2ccccc2)n1 ZINC001163294122 1090140905 /nfs/dbraw/zinc/14/09/05/1090140905.db2.gz HSGYFLZOPYQNOA-GFCCVEGCSA-N 1 0 306.753 3.064 20 5 DGBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163395570 1090174533 /nfs/dbraw/zinc/17/45/33/1090174533.db2.gz RASQOEAILSJTLE-PXTSUWAFSA-N 1 0 307.781 3.094 20 5 DGBDRO C[N@@H+]1C[C@@H](CNc2sccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001163576797 1090214641 /nfs/dbraw/zinc/21/46/41/1090214641.db2.gz IBKOPWUQMPSYQW-KGLIPLIRSA-N 1 0 317.414 3.414 20 5 DGBDRO Cc1cc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001164191140 1090368543 /nfs/dbraw/zinc/36/85/43/1090368543.db2.gz YUWMJIKBWBCHJG-VIFPVBQESA-N 1 0 303.284 3.038 20 5 DGBDRO C[C@@]1(C[NH3+])CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001164250489 1090387274 /nfs/dbraw/zinc/38/72/74/1090387274.db2.gz PADAJLAEUPJRNN-QGZVFWFLSA-N 1 0 314.389 3.098 20 5 DGBDRO CC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001165091695 1090463994 /nfs/dbraw/zinc/46/39/94/1090463994.db2.gz XNLWVQIAXRLCSN-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001165278702 1090495197 /nfs/dbraw/zinc/49/51/97/1090495197.db2.gz KRFNUEBWNSULDC-GFCCVEGCSA-N 1 0 302.378 3.220 20 5 DGBDRO Clc1ccc2ccc3ccc(N4CCC[C@H]5[NH2+]C[C@H]54)nc3c2n1 ZINC001165391677 1090514494 /nfs/dbraw/zinc/51/44/94/1090514494.db2.gz IFEGQVBXZJPTIW-ZIAGYGMSSA-N 1 0 324.815 3.377 20 5 DGBDRO CCCC(C)(C)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001165582269 1090531571 /nfs/dbraw/zinc/53/15/71/1090531571.db2.gz QLEPVGIDKNPPJC-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO [NH3+]CC[C@@H]1CN(c2nc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC001168548573 1090532663 /nfs/dbraw/zinc/53/26/63/1090532663.db2.gz IBHFTJXXGJYGDH-SNVBAGLBSA-N 1 0 318.764 3.227 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCN(C3CCCCC3)C2)cc1 ZINC001206715484 1090607974 /nfs/dbraw/zinc/60/79/74/1090607974.db2.gz SLOXHRCIPHTSMX-INIZCTEOSA-N 1 0 317.433 3.134 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2ccc3nc[nH]c3c2[N+](=O)[O-])CC1 ZINC001166622580 1090631441 /nfs/dbraw/zinc/63/14/41/1090631441.db2.gz FAENTOIKGXOHIG-UHFFFAOYSA-N 1 0 317.393 3.003 20 5 DGBDRO C[NH+](C)CCCOc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC001203571080 1090758519 /nfs/dbraw/zinc/75/85/19/1090758519.db2.gz GFQKUUUDUGYHJR-UHFFFAOYSA-N 1 0 316.361 3.064 20 5 DGBDRO CC[C@@](C)(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)OC ZINC001204609200 1091006213 /nfs/dbraw/zinc/00/62/13/1091006213.db2.gz PLNPGZQAVHNMKQ-KRWDZBQOSA-N 1 0 322.405 3.253 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3C[C@@H]4CCCC[C@H]34)nc2c1 ZINC001205551342 1091249344 /nfs/dbraw/zinc/24/93/44/1091249344.db2.gz SWOIZUSEVUKQLX-VHRBIJSZSA-N 1 0 300.362 3.139 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC001161186221 1091510722 /nfs/dbraw/zinc/51/07/22/1091510722.db2.gz DRVQQFYKRZQJPN-HNNXBMFYSA-N 1 0 318.421 3.283 20 5 DGBDRO C[N@@H+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001307196671 1091593149 /nfs/dbraw/zinc/59/31/49/1091593149.db2.gz XWLCOKPQHPEKFR-CQSZACIVSA-N 1 0 311.813 3.415 20 5 DGBDRO Cc1cc(Cl)c(N(CC[NH3+])c2cccnc2)c([N+](=O)[O-])c1 ZINC001168838665 1092393129 /nfs/dbraw/zinc/39/31/29/1092393129.db2.gz LLYCESAPAQGYAV-UHFFFAOYSA-N 1 0 306.753 3.048 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1NCCn1nnc2ccccc21 ZINC001168928492 1092454900 /nfs/dbraw/zinc/45/49/00/1092454900.db2.gz QWUSDLKRKNKFOE-UHFFFAOYSA-N 1 0 324.452 3.140 20 5 DGBDRO COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC2)cc1 ZINC001168977665 1092456563 /nfs/dbraw/zinc/45/65/63/1092456563.db2.gz LBKMKYUDEMIZKF-SRCQZFHVSA-N 1 0 304.390 3.181 20 5 DGBDRO CC(C)(C[NH3+])c1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168984783 1092462193 /nfs/dbraw/zinc/46/21/93/1092462193.db2.gz AGQGGCPGVYGVOW-KGLIPLIRSA-N 1 0 315.417 3.496 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC001168957356 1092462665 /nfs/dbraw/zinc/46/26/65/1092462665.db2.gz GIYUOROXKWULIG-PWSUYJOCSA-N 1 0 302.296 3.240 20 5 DGBDRO Cc1c(C)n([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccc(C[NH3+])cc12 ZINC001168967089 1092468388 /nfs/dbraw/zinc/46/83/88/1092468388.db2.gz NEZYMBGUQBIYGF-HUUCEWRRSA-N 1 0 301.390 3.335 20 5 DGBDRO COc1ccc(CC2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168997707 1092478540 /nfs/dbraw/zinc/47/85/40/1092478540.db2.gz FASCGKGXZQLJIK-CVEARBPZSA-N 1 0 318.417 3.053 20 5 DGBDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1cccc(F)c1 ZINC001168997892 1092478609 /nfs/dbraw/zinc/47/86/09/1092478609.db2.gz GEVSRIJYYZOGET-ZBFHGGJFSA-N 1 0 308.397 3.429 20 5 DGBDRO COc1ccc(CC2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC2)cc1 ZINC001168996987 1092479600 /nfs/dbraw/zinc/47/96/00/1092479600.db2.gz AOKORTRWQVXJKO-HZPDHXFCSA-N 1 0 318.417 3.195 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001169006235 1092485826 /nfs/dbraw/zinc/48/58/26/1092485826.db2.gz GJAKCXYEPQXBAW-QZTJIDSGSA-N 1 0 302.418 3.387 20 5 DGBDRO C[N@H+](Cc1nc2ccccc2s1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013396 1092488295 /nfs/dbraw/zinc/48/82/95/1092488295.db2.gz UUQGPIGGWINDJG-RYUDHWBXSA-N 1 0 305.403 3.174 20 5 DGBDRO CC(C)(C)Oc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168989320 1092492393 /nfs/dbraw/zinc/49/23/93/1092492393.db2.gz VYUHEKXZTTZSBY-GJZGRUSLSA-N 1 0 306.406 3.399 20 5 DGBDRO Cc1ccc(Cl)c(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1F ZINC001168989835 1092492581 /nfs/dbraw/zinc/49/25/81/1092492581.db2.gz WXCPPFGTCBRVMI-RYUDHWBXSA-N 1 0 314.788 3.365 20 5 DGBDRO Cc1cccc(OC2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169037065 1092498656 /nfs/dbraw/zinc/49/86/56/1092498656.db2.gz INRLAFRDMUESJR-JKSUJKDBSA-N 1 0 318.417 3.284 20 5 DGBDRO C[NH2+]Cc1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccc(C)cc12 ZINC001169039996 1092500414 /nfs/dbraw/zinc/50/04/14/1092500414.db2.gz WQOLLOKFQOJDHB-UKRRQHHQSA-N 1 0 301.390 3.287 20 5 DGBDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169026407 1092507211 /nfs/dbraw/zinc/50/72/11/1092507211.db2.gz LSNJTPCIPVKPPS-KMFMINBZSA-N 1 0 304.390 3.278 20 5 DGBDRO Cc1cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001169147596 1092564105 /nfs/dbraw/zinc/56/41/05/1092564105.db2.gz UCMHETOWPLBPDX-WBMJQRKESA-N 1 0 306.410 3.254 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1c[nH+]ccc1N1CCCC1 ZINC001210955442 1093335990 /nfs/dbraw/zinc/33/59/90/1093335990.db2.gz HWWLUQPZRJHOEL-UHFFFAOYSA-N 1 0 302.309 3.473 20 5 DGBDRO [NH3+]C[C@@H](O)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001211417241 1093488599 /nfs/dbraw/zinc/48/85/99/1093488599.db2.gz CBRFAEPTHAQCBZ-MRXNPFEDSA-N 1 0 305.337 3.035 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H](CO)c1ccccc1 ZINC001119949162 1094319158 /nfs/dbraw/zinc/31/91/58/1094319158.db2.gz SXQMNZXAEYKCJX-AWEZNQCLSA-N 1 0 320.776 3.114 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001119981802 1094332075 /nfs/dbraw/zinc/33/20/75/1094332075.db2.gz BHDNSZCMLUHJFD-MBNYWOFBSA-N 1 0 323.824 3.415 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](OCCCCC1CC[NH2+]CC1)C2 ZINC001217787593 1094495043 /nfs/dbraw/zinc/49/50/43/1094495043.db2.gz CWLADFJKFKUHTB-GOSISDBHSA-N 1 0 318.417 3.249 20 5 DGBDRO O=[N+]([O-])c1ccccc1[C@H](OC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC001217928035 1094519881 /nfs/dbraw/zinc/51/98/81/1094519881.db2.gz FIOVLEBPLFRHBA-MAUKXSAKSA-N 1 0 312.369 3.453 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217944336 1094523655 /nfs/dbraw/zinc/52/36/55/1094523655.db2.gz HKRFMPPBKUKEID-MWLCHTKSSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C[C@@H]2F)cc(C(F)(F)F)c1 ZINC001217947474 1094526053 /nfs/dbraw/zinc/52/60/53/1094526053.db2.gz KINMZVJUYCSDSP-NWDGAFQWSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C[C@@H]2F)ccc1C(F)(F)F ZINC001217950143 1094526448 /nfs/dbraw/zinc/52/64/48/1094526448.db2.gz XYFUTQLCDKBGTE-CMPLNLGQSA-N 1 0 322.258 3.083 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3CCCC[NH2+]C3)ccc21 ZINC001217970924 1094535377 /nfs/dbraw/zinc/53/53/77/1094535377.db2.gz QSRBEDZMFKKODS-CQSZACIVSA-N 1 0 309.365 3.467 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@H]2F)cc1C(F)(F)F ZINC001217970913 1094535505 /nfs/dbraw/zinc/53/55/05/1094535505.db2.gz CUFBKUVWOWHXQH-ZYHUDNBSSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c(C(F)(F)F)c1 ZINC001217974312 1094536809 /nfs/dbraw/zinc/53/68/09/1094536809.db2.gz FGCTUDZFRMUPFC-CMPLNLGQSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217973979 1094536919 /nfs/dbraw/zinc/53/69/19/1094536919.db2.gz XTWACMIYVRQZDO-SKDRFNHKSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1c(O[C@H]2C[NH2+]CCC[C@H]2F)ccc2ccccc21 ZINC001217982087 1094541370 /nfs/dbraw/zinc/54/13/70/1094541370.db2.gz RTBDJTDUGGINDO-HIFRSBDPSA-N 1 0 304.321 3.217 20 5 DGBDRO Cc1cc(O[C@H]2C[NH2+]CCC[C@@H]2F)c([N+](=O)[O-])cc1Cl ZINC001217981782 1094541424 /nfs/dbraw/zinc/54/14/24/1094541424.db2.gz QKZBPLYCLIPAAZ-GWCFXTLKSA-N 1 0 302.733 3.026 20 5 DGBDRO O=[N+]([O-])c1c(O[C@H]2C[NH2+]CCC[C@@H]2F)ccc2ccccc21 ZINC001217982089 1094541530 /nfs/dbraw/zinc/54/15/30/1094541530.db2.gz RTBDJTDUGGINDO-ZFWWWQNUSA-N 1 0 304.321 3.217 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001217985203 1094543616 /nfs/dbraw/zinc/54/36/16/1094543616.db2.gz IEWGZHRRMJQEKI-NOZJJQNGSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001217989463 1094546182 /nfs/dbraw/zinc/54/61/82/1094546182.db2.gz MHAWVYUJTIUJEB-JOYOIKCWSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001217997026 1094549926 /nfs/dbraw/zinc/54/99/26/1094549926.db2.gz PLQQOODOIOUZFJ-LLVKDONJSA-N 1 0 304.268 3.135 20 5 DGBDRO C[C@H](Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218001754 1094551682 /nfs/dbraw/zinc/55/16/82/1094551682.db2.gz HIKISYZHKVYZHY-VIFPVBQESA-N 1 0 318.295 3.381 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[NH2+]CC[C@@H]1F ZINC001218013891 1094559760 /nfs/dbraw/zinc/55/97/60/1094559760.db2.gz DFWCUPUJPPRYRV-GXSJLCMTSA-N 1 0 302.733 3.026 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]CC[C@H]2F)cc(C(F)(F)F)c1 ZINC001218016503 1094562118 /nfs/dbraw/zinc/56/21/18/1094562118.db2.gz FFGBNXJBIUOEGD-NEPJUHHUSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1c(O[C@H]2CC[NH2+]CC[C@@H]2F)ccc2ccccc21 ZINC001218018094 1094563111 /nfs/dbraw/zinc/56/31/11/1094563111.db2.gz MAYNXLRMROTPCW-KBPBESRZSA-N 1 0 304.321 3.217 20 5 DGBDRO C[C@@H]1C[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC001218058240 1094580158 /nfs/dbraw/zinc/58/01/58/1094580158.db2.gz VZOFQRSNXUBDIR-HTQZYQBOSA-N 1 0 305.161 3.421 20 5 DGBDRO c1ccc2nc3c(cccc3OC[C@H]3CCC4(C[NH2+]C4)O3)cc2c1 ZINC001218066827 1094583908 /nfs/dbraw/zinc/58/39/08/1094583908.db2.gz CWXZEHSSMFHSGR-MRXNPFEDSA-N 1 0 320.392 3.288 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218087878 1094593690 /nfs/dbraw/zinc/59/36/90/1094593690.db2.gz BMZKWRIQNTZFNQ-SWLSCSKDSA-N 1 0 310.781 3.468 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(O[C@H]3CCC[C@@]34CC[NH2+]C4)c2c1 ZINC001218094926 1094599301 /nfs/dbraw/zinc/59/93/01/1094599301.db2.gz ONELTHWZFZAELN-RDJZCZTQSA-N 1 0 313.357 3.054 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CC[C@@]23CC[NH2+]C3)cc1Cl ZINC001218115903 1094613861 /nfs/dbraw/zinc/61/38/61/1094613861.db2.gz HLCBMNDWOCPRJD-STQMWFEESA-N 1 0 317.172 3.423 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@H]3CC[C@@H]4[NH2+]CCO[C@@H]43)cc2c1 ZINC001218116424 1094615441 /nfs/dbraw/zinc/61/54/41/1094615441.db2.gz NRGYBHUWGWKZMA-QRFRQXIXSA-N 1 0 320.392 3.286 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC23C[NH2+]C3)c(Cl)c1Cl ZINC001218240914 1094674772 /nfs/dbraw/zinc/67/47/72/1094674772.db2.gz GQXLZANILKGXDY-VIFPVBQESA-N 1 0 303.145 3.032 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1C[C@H]2CC[NH2+][C@@H]2C1 ZINC001218249699 1094680655 /nfs/dbraw/zinc/68/06/55/1094680655.db2.gz YXVKXFOJDAXUOK-SOCHQFKDSA-N 1 0 317.172 3.421 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3C[C@H]4CC[NH2+][C@H]4C3)nc2c1 ZINC001218251140 1094681985 /nfs/dbraw/zinc/68/19/85/1094681985.db2.gz QRRSEJPKDXECBD-XNJGSVPQSA-N 1 0 305.381 3.302 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(O[C@@H]3CC[NH2+]C4(CCC4)C3)sc2c1 ZINC001218308361 1094706215 /nfs/dbraw/zinc/70/62/15/1094706215.db2.gz YERHMZCOBFSVJU-LLVKDONJSA-N 1 0 319.386 3.258 20 5 DGBDRO C[NH+]1C(C)(C)CC(Oc2ccc(N)c([N+](=O)[O-])c2)CC1(C)C ZINC001218314436 1094711255 /nfs/dbraw/zinc/71/12/55/1094711255.db2.gz AGQIGJFAMHTLDU-UHFFFAOYSA-N 1 0 307.394 3.207 20 5 DGBDRO c1ccc2c(c1)nc(OCCO[C@@H]1CC[NH2+]C1)c1ccccc21 ZINC001218384344 1094742827 /nfs/dbraw/zinc/74/28/27/1094742827.db2.gz UEXULLDYZJKZPI-CQSZACIVSA-N 1 0 308.381 3.145 20 5 DGBDRO C[C@@H]1CC[C@@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C[NH2+]1 ZINC001218395541 1094749424 /nfs/dbraw/zinc/74/94/24/1094749424.db2.gz WMVSUBZVXXRQLZ-TZMCWYRMSA-N 1 0 309.365 3.466 20 5 DGBDRO O=c1oc2cc(O[C@H]3C[NH2+]CCC34CC4)ccc2c2ccccc21 ZINC001218398202 1094750612 /nfs/dbraw/zinc/75/06/12/1094750612.db2.gz CFTLZAYSNZHCEH-SFHVURJKSA-N 1 0 321.376 3.467 20 5 DGBDRO C[C@H]1CC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC001218400050 1094751814 /nfs/dbraw/zinc/75/18/14/1094751814.db2.gz SSYQVBDLVUFLLF-YUMQZZPRSA-N 1 0 305.161 3.421 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3C[NH2+]CCC34CC4)ccc21 ZINC001218405057 1094756826 /nfs/dbraw/zinc/75/68/26/1094756826.db2.gz MXLFOVUBHXUAFJ-GOSISDBHSA-N 1 0 321.376 3.467 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001218412794 1094761900 /nfs/dbraw/zinc/76/19/00/1094761900.db2.gz GIJKPONRFDFKKD-WRWORJQWSA-N 1 0 305.161 3.278 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001218412793 1094762231 /nfs/dbraw/zinc/76/22/31/1094762231.db2.gz GIJKPONRFDFKKD-RDDDGLTNSA-N 1 0 305.161 3.278 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3[C@@H]4CC[C@H]3[NH2+]C4)ccc21 ZINC001218444355 1094778339 /nfs/dbraw/zinc/77/83/39/1094778339.db2.gz LMFWDIOXWPQXKX-PRIMNGNOSA-N 1 0 307.349 3.075 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3[C@@H]4CC[C@H]3[NH2+]C4)c2)c1 ZINC001218445153 1094778596 /nfs/dbraw/zinc/77/85/96/1094778596.db2.gz RFCLBUXKPIHQEF-OLMNPRSZSA-N 1 0 310.353 3.391 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC001218446809 1094779613 /nfs/dbraw/zinc/77/96/13/1094779613.db2.gz DAIRPSGCIKWJID-AWEZNQCLSA-N 1 0 308.284 3.124 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001336931561 1094786803 /nfs/dbraw/zinc/78/68/03/1094786803.db2.gz SKBNXPSCABVFRU-LBPRGKRZSA-N 1 0 317.393 3.070 20 5 DGBDRO CC1(C)C[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)CC[NH2+]1 ZINC001218473384 1094797526 /nfs/dbraw/zinc/79/75/26/1094797526.db2.gz XXISQICMDKMDNM-JTQLQIEISA-N 1 0 307.375 3.114 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218484498 1094808762 /nfs/dbraw/zinc/80/87/62/1094808762.db2.gz QKQSTKSSVOKVOK-HNNXBMFYSA-N 1 0 304.733 3.472 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cccc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218486460 1094812446 /nfs/dbraw/zinc/81/24/46/1094812446.db2.gz BGSBSCRLFARVDQ-AWEZNQCLSA-N 1 0 304.733 3.472 20 5 DGBDRO O=[N+]([O-])c1ccc2ncccc2c1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218488581 1094814385 /nfs/dbraw/zinc/81/43/85/1094814385.db2.gz KMUNAHYWXADQFM-QGZVFWFLSA-N 1 0 321.336 3.366 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC001218488676 1094814697 /nfs/dbraw/zinc/81/46/97/1094814697.db2.gz RCPYUFUCGLXMCY-OAHLLOKOSA-N 1 0 304.733 3.472 20 5 DGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001337066212 1094839066 /nfs/dbraw/zinc/83/90/66/1094839066.db2.gz FUWDCYIONANMSX-ZBEGNZNMSA-N 1 0 312.373 3.038 20 5 DGBDRO CC(C)C[C@@](C)([NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979098 1094917955 /nfs/dbraw/zinc/91/79/55/1094917955.db2.gz CTTVLZRBXGJXGT-LJQANCHMSA-N 1 0 322.412 3.485 20 5 DGBDRO C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001218979115 1094918840 /nfs/dbraw/zinc/91/88/40/1094918840.db2.gz HTNGCOUOHRHPHT-WBMJQRKESA-N 1 0 320.396 3.110 20 5 DGBDRO C[C@H](NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001122252205 1094935118 /nfs/dbraw/zinc/93/51/18/1094935118.db2.gz MSQVVBGGGNVJEH-MAZHCROVSA-N 1 0 319.405 3.070 20 5 DGBDRO O=C(N[C@@H]1C[NH2+]CC[C@H]1F)c1c2ccccc2cc2ccccc21 ZINC001221368962 1095250715 /nfs/dbraw/zinc/25/07/15/1095250715.db2.gz JTQDJXGHVRFLTJ-QZTJIDSGSA-N 1 0 322.383 3.423 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccnc3[N+](=O)[O-])c2c1 ZINC001171166036 1095619577 /nfs/dbraw/zinc/61/95/77/1095619577.db2.gz AVHZVCBRIGRSJJ-LBPRGKRZSA-N 1 0 310.357 3.132 20 5 DGBDRO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001339791565 1095733098 /nfs/dbraw/zinc/73/30/98/1095733098.db2.gz YNLGVKAUEJMCDV-WBMJQRKESA-N 1 0 319.405 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@H]2CCN3Cc4ccccc4[NH+]=C23)cc1 ZINC001222791709 1095756652 /nfs/dbraw/zinc/75/66/52/1095756652.db2.gz UCWCKBCDXSHEKI-KRWDZBQOSA-N 1 0 323.352 3.430 20 5 DGBDRO C[N@H+](CCCO)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001339892491 1095769343 /nfs/dbraw/zinc/76/93/43/1095769343.db2.gz HNCLNXJEMPAIPA-UHFFFAOYSA-N 1 0 324.764 3.322 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222932608 1095793575 /nfs/dbraw/zinc/79/35/75/1095793575.db2.gz XJGWCPVGFBYOMN-CYBMUJFWSA-N 1 0 319.361 3.125 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cccn2C2CC2)cc1[N+](=O)[O-] ZINC001117784612 1095852871 /nfs/dbraw/zinc/85/28/71/1095852871.db2.gz LTLLCEBAFVEDSN-UHFFFAOYSA-N 1 0 301.346 3.030 20 5 DGBDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001340619784 1095990512 /nfs/dbraw/zinc/99/05/12/1095990512.db2.gz DGNGDCONZXHVIW-CJNGLKHVSA-N 1 0 321.421 3.095 20 5 DGBDRO COc1cccc(COC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001223808882 1096069912 /nfs/dbraw/zinc/06/99/12/1096069912.db2.gz BSLQQBOMZJOYIN-UHFFFAOYSA-N 1 0 322.405 3.383 20 5 DGBDRO C[C@@H](O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC001224023818 1096117787 /nfs/dbraw/zinc/11/77/87/1096117787.db2.gz ZXRQRZHZKWCONP-UTXMOHQDSA-N 1 0 304.390 3.403 20 5 DGBDRO CN(C)c1ccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001119242444 1096144127 /nfs/dbraw/zinc/14/41/27/1096144127.db2.gz BHFVXPDJKGHIGA-UHFFFAOYSA-N 1 0 313.401 3.036 20 5 DGBDRO [NH3+]CCc1cc2ccccc2n1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001171301393 1096192224 /nfs/dbraw/zinc/19/22/24/1096192224.db2.gz NBRPBVGQVAKBDO-UHFFFAOYSA-N 1 0 316.748 3.088 20 5 DGBDRO CC(C)Oc1ncc(Cl)cc1COCCC[N+](C)(C)C ZINC001224620837 1096249238 /nfs/dbraw/zinc/24/92/38/1096249238.db2.gz GLMOZHKVJUEUGU-UHFFFAOYSA-N 1 0 301.838 3.135 20 5 DGBDRO C[C@@H](OCC[N+](C)(C)C)c1cccc(Br)c1F ZINC001224776262 1096282362 /nfs/dbraw/zinc/28/23/62/1096282362.db2.gz UBUUPUFVUMKKBW-SNVBAGLBSA-N 1 0 305.211 3.372 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1NC[C@@H]1CCCC[NH2+]1 ZINC001171327569 1096338115 /nfs/dbraw/zinc/33/81/15/1096338115.db2.gz GPDLAYWHPYDOCH-AWEZNQCLSA-N 1 0 312.373 3.211 20 5 DGBDRO O=[N+]([O-])c1cc(NC[C@H]2CCCC[NH2+]2)ccc1C(F)(F)F ZINC001171334022 1096394983 /nfs/dbraw/zinc/39/49/83/1096394983.db2.gz JNKNRRFPRPISOC-SNVBAGLBSA-N 1 0 303.284 3.168 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC001225629210 1096488812 /nfs/dbraw/zinc/48/88/12/1096488812.db2.gz GVTZBRUUBYNBMS-AWEZNQCLSA-N 1 0 301.346 3.062 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001225953462 1096572671 /nfs/dbraw/zinc/57/26/71/1096572671.db2.gz LUDXHBRKGCVPGP-SECBINFHSA-N 1 0 307.292 3.087 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226303495 1096657347 /nfs/dbraw/zinc/65/73/47/1096657347.db2.gz QHSMHAKCUOIDAO-NSHDSACASA-N 1 0 318.295 3.477 20 5 DGBDRO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226311420 1096658168 /nfs/dbraw/zinc/65/81/68/1096658168.db2.gz QXFFVEPFAWZVCI-SNVBAGLBSA-N 1 0 304.268 3.087 20 5 DGBDRO CC[N@@H+]1CC[C@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226512173 1096709523 /nfs/dbraw/zinc/70/95/23/1096709523.db2.gz OOZSSMRRQJHTNO-AWEZNQCLSA-N 1 0 309.365 3.419 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Br)c2ccccc21 ZINC001226725461 1096762123 /nfs/dbraw/zinc/76/21/23/1096762123.db2.gz FGZNYYWVWYWQLM-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226747776 1096766998 /nfs/dbraw/zinc/76/69/98/1096766998.db2.gz DPMAIKQGROWEEE-NSHDSACASA-N 1 0 300.305 3.125 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC001227523066 1096943466 /nfs/dbraw/zinc/94/34/66/1096943466.db2.gz CSXZDAHRFSNERQ-KSSFIOAISA-N 1 0 312.369 3.494 20 5 DGBDRO COc1cnc(O[C@@H](C)C[N+](C)(C)C)c2cc(Cl)ccc12 ZINC001227795081 1096991269 /nfs/dbraw/zinc/99/12/69/1096991269.db2.gz XOLBJOLMBHMHOD-NSHDSACASA-N 1 0 309.817 3.370 20 5 DGBDRO C[NH+]1CCC(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC001228198040 1097071808 /nfs/dbraw/zinc/07/18/08/1097071808.db2.gz DCGMKKSNBVOWNF-UHFFFAOYSA-N 1 0 305.161 3.375 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC001228210752 1097074659 /nfs/dbraw/zinc/07/46/59/1097074659.db2.gz JPASSAJXXKGGFE-UMSPYCQHSA-N 1 0 321.402 3.456 20 5 DGBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1OC1CC[NH+](C2CC2)CC1 ZINC001228452468 1097123361 /nfs/dbraw/zinc/12/33/61/1097123361.db2.gz JVLVBBJAFINAJE-UHFFFAOYSA-N 1 0 318.373 3.111 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1c(C(C)=O)cc(C)cc1[N+](=O)[O-] ZINC001228453310 1097123461 /nfs/dbraw/zinc/12/34/61/1097123461.db2.gz PEDOVFZGXFSWKO-GFCCVEGCSA-N 1 0 308.378 3.215 20 5 DGBDRO CC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001228969838 1097228947 /nfs/dbraw/zinc/22/89/47/1097228947.db2.gz BQIQGGODYNACIW-CYBMUJFWSA-N 1 0 306.362 3.049 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229007506 1097235994 /nfs/dbraw/zinc/23/59/94/1097235994.db2.gz IXBVJZJZKDYWFJ-CQSZACIVSA-N 1 0 301.346 3.006 20 5 DGBDRO CCc1coc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172896997 1097266461 /nfs/dbraw/zinc/26/64/61/1097266461.db2.gz VXQNKTVMUPDDNF-HNNXBMFYSA-N 1 0 315.373 3.182 20 5 DGBDRO Cc1ccncc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899032 1097267425 /nfs/dbraw/zinc/26/74/25/1097267425.db2.gz KYQVAACXPVBAON-KRWDZBQOSA-N 1 0 311.385 3.335 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172902426 1097268184 /nfs/dbraw/zinc/26/81/84/1097268184.db2.gz YHQQZPBQSCFCHX-HZPDHXFCSA-N 1 0 318.417 3.389 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(F)ccn1)CC2 ZINC001172900788 1097268390 /nfs/dbraw/zinc/26/83/90/1097268390.db2.gz FHDJRZFPNJBGKB-OAHLLOKOSA-N 1 0 315.348 3.166 20 5 DGBDRO C[N@H+](Cc1ccccn1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904811 1097269175 /nfs/dbraw/zinc/26/91/75/1097269175.db2.gz AROMSQSKNVXCOD-KRWDZBQOSA-N 1 0 311.385 3.369 20 5 DGBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903411 1097269193 /nfs/dbraw/zinc/26/91/93/1097269193.db2.gz HGLNKVUNRRWONW-HRCADAONSA-N 1 0 314.385 3.038 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H](C)C[NH+](CC)CC ZINC001229177830 1097271722 /nfs/dbraw/zinc/27/17/22/1097271722.db2.gz MXCGEAOAKAGDFR-GFCCVEGCSA-N 1 0 308.378 3.297 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@@H+](CC)C1 ZINC001229179239 1097271968 /nfs/dbraw/zinc/27/19/68/1097271968.db2.gz IQEZOENBSKOONT-ZDUSSCGKSA-N 1 0 306.362 3.051 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCc3ccncc3C1)CC2 ZINC001172915260 1097279126 /nfs/dbraw/zinc/27/91/26/1097279126.db2.gz MTEYXWMKTOCPRT-SFHVURJKSA-N 1 0 323.396 3.296 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@]3(CCO3)C1)CC2 ZINC001172915255 1097279197 /nfs/dbraw/zinc/27/91/97/1097279197.db2.gz MSCAGJOUPWQFKU-AEFFLSMTSA-N 1 0 316.401 3.097 20 5 DGBDRO CCC1(O)CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172918169 1097279872 /nfs/dbraw/zinc/27/98/72/1097279872.db2.gz YKZCLMSYPAIHIL-INIZCTEOSA-N 1 0 318.417 3.079 20 5 DGBDRO CCC1(O)CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172918171 1097280246 /nfs/dbraw/zinc/28/02/46/1097280246.db2.gz YKZCLMSYPAIHIL-MRXNPFEDSA-N 1 0 318.417 3.079 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@]13CCOC3)CC2 ZINC001172920090 1097280999 /nfs/dbraw/zinc/28/09/99/1097280999.db2.gz IHWPYKJWMMVPTJ-WMZOPIPTSA-N 1 0 316.401 3.097 20 5 DGBDRO C[NH+](C)C1CCC(Oc2cc([N+](=O)[O-])cc3cccnc32)CC1 ZINC001229343872 1097301245 /nfs/dbraw/zinc/30/12/45/1097301245.db2.gz JLXCWQCNVUGZES-UHFFFAOYSA-N 1 0 315.373 3.395 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CCC2CC2)c1F ZINC001173194873 1097358631 /nfs/dbraw/zinc/35/86/31/1097358631.db2.gz ARAFRHQGCWLMET-LLVKDONJSA-N 1 0 310.369 3.405 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccc(F)cn1 ZINC001173215186 1097366769 /nfs/dbraw/zinc/36/67/69/1097366769.db2.gz UEZIBHNKLFXMRL-VXGBXAGGSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC001173215184 1097367103 /nfs/dbraw/zinc/36/71/03/1097367103.db2.gz UEZIBHNKLFXMRL-RYUDHWBXSA-N 1 0 303.337 3.411 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001173218163 1097369180 /nfs/dbraw/zinc/36/91/80/1097369180.db2.gz OOYSBGFMUNECFU-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCCCCCO ZINC001173220532 1097371338 /nfs/dbraw/zinc/37/13/38/1097371338.db2.gz FSDNEYOXSRVJBF-HNNXBMFYSA-N 1 0 308.422 3.448 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001173220756 1097372237 /nfs/dbraw/zinc/37/22/37/1097372237.db2.gz CDDZAIVSXSZKMZ-PBHICJAKSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cc(O)ccc2C1 ZINC001173222491 1097372921 /nfs/dbraw/zinc/37/29/21/1097372921.db2.gz SEQNLKAYIPDJBU-CYBMUJFWSA-N 1 0 312.369 3.290 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc2cccc(C[NH3+])c21 ZINC001173222062 1097373319 /nfs/dbraw/zinc/37/33/19/1097373319.db2.gz SSXJGLLORZAPDG-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO CCCOC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225512 1097375151 /nfs/dbraw/zinc/37/51/51/1097375151.db2.gz CTHZTHZHNLWGEJ-AWEZNQCLSA-N 1 0 306.406 3.417 20 5 DGBDRO CCN(CC[NH+](CC)CC)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227544 1097375983 /nfs/dbraw/zinc/37/59/83/1097375983.db2.gz QKSUBEGAFDYMBB-OAHLLOKOSA-N 1 0 307.438 3.190 20 5 DGBDRO COCCC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173228355 1097376059 /nfs/dbraw/zinc/37/60/59/1097376059.db2.gz VFONJEZMNFMYCG-AWEZNQCLSA-N 1 0 306.406 3.274 20 5 DGBDRO CC(C)OC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173228820 1097376296 /nfs/dbraw/zinc/37/62/96/1097376296.db2.gz ZBDOYRTYIMBXMS-AWEZNQCLSA-N 1 0 306.406 3.415 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ncc2c1cccc2C[NH3+] ZINC001173232174 1097376907 /nfs/dbraw/zinc/37/69/07/1097376907.db2.gz DGIQDQZAKULCJD-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ncsc2C1 ZINC001173233235 1097377258 /nfs/dbraw/zinc/37/72/58/1097377258.db2.gz JRZSAOJJLIHNBV-NSHDSACASA-N 1 0 303.387 3.041 20 5 DGBDRO Cc1cc(O)c(OC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001229753369 1097377395 /nfs/dbraw/zinc/37/73/95/1097377395.db2.gz HPVWUISSAGRPEV-UHFFFAOYSA-N 1 0 308.378 3.251 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH3+])c2ccccc21 ZINC001173235475 1097378056 /nfs/dbraw/zinc/37/80/56/1097378056.db2.gz TZDVQTOSSOIHOK-CXAGYDPISA-N 1 0 311.385 3.436 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC001173233816 1097378163 /nfs/dbraw/zinc/37/81/63/1097378163.db2.gz ZBYBYWQEVMXFKB-CYBMUJFWSA-N 1 0 306.406 3.415 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccccc1O ZINC001173234144 1097378491 /nfs/dbraw/zinc/37/84/91/1097378491.db2.gz NSKDVCNTZQWTLU-ZDUSSCGKSA-N 1 0 300.358 3.064 20 5 DGBDRO Cc1ccc(F)c(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173234137 1097378656 /nfs/dbraw/zinc/37/86/56/1097378656.db2.gz NPOQXLBHVYOFCV-GFCCVEGCSA-N 1 0 303.337 3.158 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001173235699 1097379634 /nfs/dbraw/zinc/37/96/34/1097379634.db2.gz YOESTLQFJQOJCC-UKRRQHHQSA-N 1 0 314.389 3.062 20 5 DGBDRO CCOc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173214362 1097381501 /nfs/dbraw/zinc/38/15/01/1097381501.db2.gz BCGLGDRXZIYNCI-CYBMUJFWSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2cn(C)nc21 ZINC001173214655 1097382664 /nfs/dbraw/zinc/38/26/64/1097382664.db2.gz DIXZEAJRSQTGCT-ZDUSSCGKSA-N 1 0 324.384 3.202 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001173238211 1097393873 /nfs/dbraw/zinc/39/38/73/1097393873.db2.gz OQRAQDGRXOXIIW-YSVLISHTSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001230039318 1097434341 /nfs/dbraw/zinc/43/43/41/1097434341.db2.gz SPLNBIBHXXNEJO-MRVPVSSYSA-N 1 0 308.185 3.375 20 5 DGBDRO CC[C@H](CC(=O)OC)c1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001231005838 1097644113 /nfs/dbraw/zinc/64/41/13/1097644113.db2.gz DNIIKUGNCPFBKS-HUUCEWRRSA-N 1 0 308.442 3.217 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)C1 ZINC001231335646 1097724142 /nfs/dbraw/zinc/72/41/42/1097724142.db2.gz QIEOERQNPAZREQ-HNNXBMFYSA-N 1 0 324.380 3.156 20 5 DGBDRO C[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001174478154 1097740021 /nfs/dbraw/zinc/74/00/21/1097740021.db2.gz PTILRUQYIYEATC-UHFFFAOYSA-N 1 0 312.373 3.090 20 5 DGBDRO CO[C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218761 1097969778 /nfs/dbraw/zinc/96/97/78/1097969778.db2.gz GRFPRNDVXWLIJE-KRWDZBQOSA-N 1 0 307.397 3.394 20 5 DGBDRO OC[C@H]1CCCC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219893 1097971135 /nfs/dbraw/zinc/97/11/35/1097971135.db2.gz VXLIJFSGCWBNAL-QGZVFWFLSA-N 1 0 307.397 3.130 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@]1(C)O ZINC001232219535 1097972220 /nfs/dbraw/zinc/97/22/20/1097972220.db2.gz VFKLDUKMYDCZSN-JLTOFOAXSA-N 1 0 321.424 3.376 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@H]4OCC[C@@H]4C3)nc12 ZINC001232225044 1097973024 /nfs/dbraw/zinc/97/30/24/1097973024.db2.gz MDZFWXPVXRREIG-SJLPKXTDSA-N 1 0 319.408 3.394 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(CN(C3CC3)C3COC3)nc12 ZINC001232223748 1097973400 /nfs/dbraw/zinc/97/34/00/1097973400.db2.gz VLEXVBNEVNWSGC-UHFFFAOYSA-N 1 0 305.381 3.146 20 5 DGBDRO C[NH+](C)C1CCC(Oc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC001233764433 1098425914 /nfs/dbraw/zinc/42/59/14/1098425914.db2.gz DYIPJCDMRFICAQ-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2c3cccnc3ccc2[N+](=O)[O-])CC1 ZINC001233778278 1098430033 /nfs/dbraw/zinc/43/00/33/1098430033.db2.gz HNLUIIHAKKQMAA-LBPRGKRZSA-N 1 0 301.346 3.006 20 5 DGBDRO CCCCCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001233978469 1098470851 /nfs/dbraw/zinc/47/08/51/1098470851.db2.gz RQBHFVWVSZRXDE-UHFFFAOYSA-N 1 0 321.421 3.113 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1-c1ccnn1C ZINC001233986512 1098471879 /nfs/dbraw/zinc/47/18/79/1098471879.db2.gz KPHLVWFESZENIM-LBPRGKRZSA-N 1 0 308.833 3.214 20 5 DGBDRO COc1ccc(C)cc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001177528536 1098548725 /nfs/dbraw/zinc/54/87/25/1098548725.db2.gz BYYTXALVKHRQDW-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO Cc1c(C[NH2+]CCC(=O)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC001177840525 1098629072 /nfs/dbraw/zinc/62/90/72/1098629072.db2.gz QYEGFLRQCGSEEF-UHFFFAOYSA-N 1 0 313.357 3.022 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC001177896458 1098640532 /nfs/dbraw/zinc/64/05/32/1098640532.db2.gz CGFPJINSYBUJQU-HIFRSBDPSA-N 1 0 306.406 3.359 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nccc3c1cccc3[N+](=O)[O-])C2 ZINC001234674755 1098641132 /nfs/dbraw/zinc/64/11/32/1098641132.db2.gz RQMRKYRXQIWILS-CLLJXQQHSA-N 1 0 313.357 3.147 20 5 DGBDRO Cn1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(-c2ccccc2)n1 ZINC001178462727 1098838705 /nfs/dbraw/zinc/83/87/05/1098838705.db2.gz HVHQODRXJBONOW-UHFFFAOYSA-N 1 0 322.368 3.285 20 5 DGBDRO Cc1c(C[NH2+]Cc2cccc3[nH]c(=O)oc32)cccc1[N+](=O)[O-] ZINC001178478413 1098845788 /nfs/dbraw/zinc/84/57/88/1098845788.db2.gz XWSIQGAOJRGZII-UHFFFAOYSA-N 1 0 313.313 3.040 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC001178762851 1098928215 /nfs/dbraw/zinc/92/82/15/1098928215.db2.gz UYLCOQWDOPLMCG-QGZVFWFLSA-N 1 0 314.385 3.251 20 5 DGBDRO C[C@@H]1[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001187663263 1099567946 /nfs/dbraw/zinc/56/79/46/1099567946.db2.gz UCCIQTFHQPHTNB-PSASIEDQSA-N 1 0 303.284 3.118 20 5 DGBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC001187708964 1099581598 /nfs/dbraw/zinc/58/15/98/1099581598.db2.gz OLNVHSDVNGLVRH-CYBMUJFWSA-N 1 0 311.813 3.415 20 5 DGBDRO CCOc1cc(N2CC[N@H+](C)C[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC001187708944 1099581935 /nfs/dbraw/zinc/58/19/35/1099581935.db2.gz NTFBXLUGCFMEKY-HNNXBMFYSA-N 1 0 321.421 3.160 20 5 DGBDRO Cc1cccc([C@H](O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001193743251 1100796477 /nfs/dbraw/zinc/79/64/77/1100796477.db2.gz LGOPSAMGDYLIEI-GOSISDBHSA-N 1 0 314.385 3.111 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@H]1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC001194263352 1100906340 /nfs/dbraw/zinc/90/63/40/1100906340.db2.gz YBOLPFVHDXVUAK-KRWDZBQOSA-N 1 0 319.449 3.332 20 5 DGBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001197799723 1101668480 /nfs/dbraw/zinc/66/84/80/1101668480.db2.gz ZUKALXDHJVTOAN-AWEZNQCLSA-N 1 0 303.406 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2nc3c(s2)CCCC3)c1 ZINC001201512157 1102621727 /nfs/dbraw/zinc/62/17/27/1102621727.db2.gz HGKTVJJPTUCYDV-UHFFFAOYSA-N 1 0 317.414 3.262 20 5 DGBDRO Cn1cc(-c2ccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc2)cn1 ZINC001326825951 1103455272 /nfs/dbraw/zinc/45/52/72/1103455272.db2.gz BLVKIUUEUMKIAS-UHFFFAOYSA-N 1 0 322.368 3.285 20 5 DGBDRO CCCC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001327066311 1103509607 /nfs/dbraw/zinc/50/96/07/1103509607.db2.gz JLRRYSRXKJLSQB-UHFFFAOYSA-N 1 0 319.405 3.436 20 5 DGBDRO CCOc1cccc(NC[C@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC001327616553 1103693718 /nfs/dbraw/zinc/69/37/18/1103693718.db2.gz NFQTXIKLJCCMTR-CYBMUJFWSA-N 1 0 307.394 3.137 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(OC)c(C)cc2[N+](=O)[O-])C1 ZINC001328492249 1103966921 /nfs/dbraw/zinc/96/69/21/1103966921.db2.gz QPNXLGCYPKIVBK-ZDUSSCGKSA-N 1 0 307.394 3.056 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(-c2nc3ccccc3n2[C@@H]2CC[NH2+]C2)c1 ZINC001247052732 1104787087 /nfs/dbraw/zinc/78/70/87/1104787087.db2.gz PPLHJHHTQHLPSS-CYBMUJFWSA-N 1 0 322.368 3.454 20 5 DGBDRO CC[C@](C)([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001249281932 1105261260 /nfs/dbraw/zinc/26/12/60/1105261260.db2.gz HBJMNZAOFHJAPB-SFHVURJKSA-N 1 0 319.368 3.417 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001251761822 1105692277 /nfs/dbraw/zinc/69/22/77/1105692277.db2.gz QGWXXQWVHUPLMZ-HZPDHXFCSA-N 1 0 314.389 3.428 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001253094558 1105887534 /nfs/dbraw/zinc/88/75/34/1105887534.db2.gz FDPNQEAVDRPVKP-HUUCEWRRSA-N 1 0 305.422 3.286 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCC[C@@H](F)C3)CC2)cc1 ZINC001254473568 1106078311 /nfs/dbraw/zinc/07/83/11/1106078311.db2.gz FRIRSJHGWQZEQN-CQSZACIVSA-N 1 0 321.396 3.388 20 5 DGBDRO CC[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478406 1106078688 /nfs/dbraw/zinc/07/86/88/1106078688.db2.gz BEZPHGFEJXOPQR-AWEZNQCLSA-N 1 0 303.406 3.438 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478407 1106079185 /nfs/dbraw/zinc/07/91/85/1106079185.db2.gz BEZPHGFEJXOPQR-CQSZACIVSA-N 1 0 303.406 3.438 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1c2ccccc2nc1C[NH3+] ZINC001254531258 1106095769 /nfs/dbraw/zinc/09/57/69/1106095769.db2.gz CRBDQHIQMGMNHZ-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(Cl)ccn1 ZINC001254532035 1106095839 /nfs/dbraw/zinc/09/58/39/1106095839.db2.gz IVPQEHZQAZOFJV-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO COc1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ccc1O ZINC001254535075 1106097881 /nfs/dbraw/zinc/09/78/81/1106097881.db2.gz FYAPCXYFJPDZBL-LBPRGKRZSA-N 1 0 316.357 3.030 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(F)c1C[NH3+] ZINC001254536868 1106098210 /nfs/dbraw/zinc/09/82/10/1106098210.db2.gz UUHNJZIFKAJSIN-LLVKDONJSA-N 1 0 303.337 3.236 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CCCCC1 ZINC001254540036 1106098638 /nfs/dbraw/zinc/09/86/38/1106098638.db2.gz OTCSYICPPRHHTL-PBHICJAKSA-N 1 0 320.433 3.447 20 5 DGBDRO Cc1ccc(F)c(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254539959 1106098889 /nfs/dbraw/zinc/09/88/89/1106098889.db2.gz NDSSYIGSTNAMGE-GFCCVEGCSA-N 1 0 303.337 3.158 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1nc(CC[NH3+])c2ccccc21 ZINC001254540700 1106099001 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3.457 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001254563070 1106103853 /nfs/dbraw/zinc/10/38/53/1106103853.db2.gz SPVQMIWGNYJMRU-RHSMWYFYSA-N 1 0 311.385 3.410 20 5 DGBDRO CC[NH+](CC)C1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563475 1106103962 /nfs/dbraw/zinc/10/39/62/1106103962.db2.gz WXIWTSNCYMNWSP-OAHLLOKOSA-N 1 0 319.449 3.332 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ncsc2C1 ZINC001254560045 1106104152 /nfs/dbraw/zinc/10/41/52/1106104152.db2.gz OTGAQZXTHDDIDQ-LLVKDONJSA-N 1 0 303.387 3.041 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001254563072 1106104309 /nfs/dbraw/zinc/10/43/09/1106104309.db2.gz SPVQMIWGNYJMRU-YOEHRIQHSA-N 1 0 311.385 3.410 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1c(F)cccc1F)C2 ZINC001254566089 1106105114 /nfs/dbraw/zinc/10/51/14/1106105114.db2.gz HNNHYDUZABBMCP-LBPRGKRZSA-N 1 0 304.296 3.130 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](COCC2CC2)C1 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OXXLMFQMUZJMSW-GOSISDBHSA-N 1 0 321.380 3.391 20 5 DGBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCO2 ZINC001254582761 1106108468 /nfs/dbraw/zinc/10/84/68/1106108468.db2.gz XCAKLRULCNRXFR-YJBOKZPZSA-N 1 0 324.380 3.484 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CCC(F)(F)CC1)C2 ZINC001254580472 1106108494 /nfs/dbraw/zinc/10/84/94/1106108494.db2.gz DAJZSWLWVBEIIV-CQSZACIVSA-N 1 0 310.344 3.477 20 5 DGBDRO C[C@H](COc1ccccc1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580331 1106108563 /nfs/dbraw/zinc/10/85/63/1106108563.db2.gz FHCKARJKCNYLQA-CZUORRHYSA-N 1 0 312.369 3.119 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)C2 ZINC001254580184 1106108573 /nfs/dbraw/zinc/10/85/73/1106108573.db2.gz ZSQHRDTVHSQFDK-CRAIPNDOSA-N 1 0 309.369 3.198 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cncc(Cl)c1 ZINC001254588684 1106109098 /nfs/dbraw/zinc/10/90/98/1106109098.db2.gz HUJIPQNVZDYYRB-MEBBXXQBSA-N 1 0 317.776 3.461 20 5 DGBDRO Cc1cccc(C2(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254587978 1106109185 /nfs/dbraw/zinc/10/91/85/1106109185.db2.gz UCSNLVIVLSPFGE-INIZCTEOSA-N 1 0 323.396 3.087 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H]1c1ccccn1)C2 ZINC001254599006 1106110607 /nfs/dbraw/zinc/11/06/07/1106110607.db2.gz JEZMVANPPSKJPB-FUHWJXTLSA-N 1 0 309.369 3.294 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(c3ccncc3)CC1)C2 ZINC001254598615 1106110757 /nfs/dbraw/zinc/11/07/57/1106110757.db2.gz IMUGJQXJFUILCM-LJQANCHMSA-N 1 0 323.396 3.337 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(C(F)(F)F)CC1)C2 ZINC001254595743 1106110890 /nfs/dbraw/zinc/11/08/90/1106110890.db2.gz ZBHQJEHAXKAOBW-CQSZACIVSA-N 1 0 314.307 3.336 20 5 DGBDRO C[N@H+](Cc1cnc(Cl)s1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601032 1106111669 /nfs/dbraw/zinc/11/16/69/1106111669.db2.gz XKGQXMMDTHYDMT-LBPRGKRZSA-N 1 0 323.805 3.304 20 5 DGBDRO C[N@H+](CC/C=C/c1cccnc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605924 1106112613 /nfs/dbraw/zinc/11/26/13/1106112613.db2.gz CQYYVWMGVRLULC-XUYKHGSPSA-N 1 0 323.396 3.492 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC001321144276 1107264167 /nfs/dbraw/zinc/26/41/67/1107264167.db2.gz VDENMCHRMYWOGD-GXTWGEPZSA-N 1 0 310.419 3.319 20 5 DGBDRO COc1ccc(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC001322159161 1107547350 /nfs/dbraw/zinc/54/73/50/1107547350.db2.gz PSPICECDFCBDLB-QWHCGFSZSA-N 1 0 310.419 3.319 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC001262058089 1107598957 /nfs/dbraw/zinc/59/89/57/1107598957.db2.gz NHMLXXBAKGNYTA-STQMWFEESA-N 1 0 312.373 3.182 20 5 DGBDRO CC[N@@H+](Cc1ccccc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001322885079 1107774905 /nfs/dbraw/zinc/77/49/05/1107774905.db2.gz GARVIHLYHXTVIZ-QGZVFWFLSA-N 1 0 318.348 3.289 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)o1 ZINC001324677102 1108420728 /nfs/dbraw/zinc/42/07/28/1108420728.db2.gz RQJJKOZMLUKYNH-PHIMTYICSA-N 1 0 322.748 3.121 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@H]2CCOC2)o1 ZINC001319425950 1108460337 /nfs/dbraw/zinc/46/03/37/1108460337.db2.gz QEHOHKPJNSIGJP-NSHDSACASA-N 1 0 322.748 3.387 20 5 DGBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001319472999 1108484870 /nfs/dbraw/zinc/48/48/70/1108484870.db2.gz MISBZURFSZJFAF-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO C[NH+]1CCC(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001306953179 1110267126 /nfs/dbraw/zinc/26/71/26/1110267126.db2.gz PNZJKNIUCHRADK-UHFFFAOYSA-N 1 0 317.311 3.367 20 5 DGBDRO C[N@@H+]1CC[C@H](CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001306958909 1111254619 /nfs/dbraw/zinc/25/46/19/1111254619.db2.gz HJOVDRRGFAUQJN-MRVPVSSYSA-N 1 0 304.177 3.265 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001307121046 1111268239 /nfs/dbraw/zinc/26/82/39/1111268239.db2.gz YOGXGBFHSYCRBI-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001307121466 1111268530 /nfs/dbraw/zinc/26/85/30/1111268530.db2.gz XQRNCQHVDFSMIG-UHFFFAOYSA-N 1 0 320.437 3.327 20 5 DGBDRO CC[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001307493084 1111305152 /nfs/dbraw/zinc/30/51/52/1111305152.db2.gz HBJNDKAQKJUVSU-CXAGYDPISA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001307706766 1111329923 /nfs/dbraw/zinc/32/99/23/1111329923.db2.gz HLKJXTUXAQDQLY-WFASDCNBSA-N 1 0 320.389 3.440 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001307779341 1111338553 /nfs/dbraw/zinc/33/85/53/1111338553.db2.gz SOOABSCDUJZJCG-CVEARBPZSA-N 1 0 322.405 3.155 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001307854333 1111347012 /nfs/dbraw/zinc/34/70/12/1111347012.db2.gz YXUHGCPCYQWVOQ-ZIAGYGMSSA-N 1 0 320.389 3.296 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](C3CCCCC3)C2)n1 ZINC001307957156 1111360178 /nfs/dbraw/zinc/36/01/78/1111360178.db2.gz CEFXZVTZGXXILQ-OAHLLOKOSA-N 1 0 306.410 3.084 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc2nsnc21)c1ccc([N+](=O)[O-])cc1 ZINC001308063618 1111373598 /nfs/dbraw/zinc/37/35/98/1111373598.db2.gz ANDNPTRFZQEYCJ-SNVBAGLBSA-N 1 0 314.370 3.450 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C/C=C\c2cccc(F)c2)cc1 ZINC001308246436 1111403956 /nfs/dbraw/zinc/40/39/56/1111403956.db2.gz APLDUBITCLXHIN-RQOWECAXSA-N 1 0 316.332 3.416 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001308275022 1111409113 /nfs/dbraw/zinc/40/91/13/1111409113.db2.gz WYGYFJGBFDPHLV-HZPDHXFCSA-N 1 0 312.369 3.324 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC001308389472 1111424334 /nfs/dbraw/zinc/42/43/34/1111424334.db2.gz CELSOBKHOBBDRE-UHFFFAOYSA-N 1 0 309.728 3.115 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(F)c(F)c1F ZINC001308391975 1111424937 /nfs/dbraw/zinc/42/49/37/1111424937.db2.gz ZESPKLVEJCYIQC-UHFFFAOYSA-N 1 0 310.275 3.344 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC001308421468 1111427133 /nfs/dbraw/zinc/42/71/33/1111427133.db2.gz TVAWBPKCYGJADT-CQSZACIVSA-N 1 0 307.438 3.422 20 5 DGBDRO CCN(OC)C(=O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001308446858 1111430081 /nfs/dbraw/zinc/43/00/81/1111430081.db2.gz HODPQZRGAAQOJQ-UHFFFAOYSA-N 1 0 322.408 3.493 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001308583279 1111447653 /nfs/dbraw/zinc/44/76/53/1111447653.db2.gz JZZHYBPZDUXZBY-MRXNPFEDSA-N 1 0 317.433 3.272 20 5 DGBDRO COCCSCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000278499361 214193578 /nfs/dbraw/zinc/19/35/78/214193578.db2.gz KXUUFXPHSXYHBE-UHFFFAOYSA-N 1 0 324.446 3.329 20 5 DGBDRO Cc1cc(NC[C@@H](C)C[C@@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272862189 210255645 /nfs/dbraw/zinc/25/56/45/210255645.db2.gz QOBWCPHHLIMMGT-CMPLNLGQSA-N 1 0 303.362 3.270 20 5 DGBDRO C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000278634703 214291632 /nfs/dbraw/zinc/29/16/32/214291632.db2.gz FSMQAOYNYLGDTB-JOYOIKCWSA-N 1 0 318.295 3.271 20 5 DGBDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000309874104 231107464 /nfs/dbraw/zinc/10/74/64/231107464.db2.gz HMCXXYCFKHRDPG-OAHLLOKOSA-N 1 0 313.401 3.205 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCNc1ccccn1)CCC2 ZINC000278768702 214386741 /nfs/dbraw/zinc/38/67/41/214386741.db2.gz PDDYZHPCNUJYAW-MRXNPFEDSA-N 1 0 312.373 3.069 20 5 DGBDRO C[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000322225800 231208549 /nfs/dbraw/zinc/20/85/49/231208549.db2.gz ZNIUFXMIGJIAOJ-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCSC2)cc(C(F)(F)F)c1 ZINC000278820526 214421586 /nfs/dbraw/zinc/42/15/86/214421586.db2.gz UABXEKJONPRBGO-VIFPVBQESA-N 1 0 320.336 3.456 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)O ZINC000293185871 529625269 /nfs/dbraw/zinc/62/52/69/529625269.db2.gz WYCFUHNLJTWLCP-INIZCTEOSA-N 1 0 318.373 3.494 20 5 DGBDRO CC(C)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000090537826 185301489 /nfs/dbraw/zinc/30/14/89/185301489.db2.gz PQSAKLWWQJFRGM-INIZCTEOSA-N 1 0 302.378 3.168 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000318697367 529690191 /nfs/dbraw/zinc/69/01/91/529690191.db2.gz CRZUJKXUJCWITL-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)CC2)c([N+](=O)[O-])cc1OC ZINC000092586226 185327196 /nfs/dbraw/zinc/32/71/96/185327196.db2.gz MIFMVOZPGJPPLC-GFCCVEGCSA-N 1 0 308.378 3.234 20 5 DGBDRO CCc1ccc([C@@H](NC[C@H](C)C[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423308926 529712086 /nfs/dbraw/zinc/71/20/86/529712086.db2.gz PHGYUVMUYQRHGK-PXAZEXFGSA-N 1 0 317.389 3.024 20 5 DGBDRO CCc1ccc([C@@H](NC[C@@H]([NH3+])CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423461106 529712350 /nfs/dbraw/zinc/71/23/50/529712350.db2.gz JKRKRQXLHHJDHR-GUYCJALGSA-N 1 0 317.389 3.167 20 5 DGBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181514973 199309541 /nfs/dbraw/zinc/30/95/41/199309541.db2.gz BWSNARHSKZDEOT-LBPRGKRZSA-N 1 0 302.330 3.030 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1CCCC1 ZINC000064020641 432007532 /nfs/dbraw/zinc/00/75/32/432007532.db2.gz HYZMKSLCABLFIW-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000286656513 219107745 /nfs/dbraw/zinc/10/77/45/219107745.db2.gz UKXDEVBSDSPWTM-XNHOIOAFSA-N 1 0 322.792 3.103 20 5 DGBDRO C[N@H+](CCCCNc1nccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000413349268 529884152 /nfs/dbraw/zinc/88/41/52/529884152.db2.gz RHRHMAUTYSAHSP-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[N@H+](CCCNc1ncc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000413045572 529892190 /nfs/dbraw/zinc/89/21/90/529892190.db2.gz YPWYETYIPSCMNW-UHFFFAOYSA-N 1 0 318.352 3.063 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C)(C)CC1 ZINC000330461362 231861797 /nfs/dbraw/zinc/86/17/97/231861797.db2.gz RZOCWKJESJRYQS-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)CC1(C)C ZINC000331019573 232352687 /nfs/dbraw/zinc/35/26/87/232352687.db2.gz WQFCVJPUMVNQNO-LBPRGKRZSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)(C)OC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130205979 432017735 /nfs/dbraw/zinc/01/77/35/432017735.db2.gz LPNICMVMFBUYLM-UHFFFAOYSA-N 1 0 320.389 3.291 20 5 DGBDRO C[NH2+][C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420162760 290812374 /nfs/dbraw/zinc/81/23/74/290812374.db2.gz YVXHUPMUHZHKJO-SNVBAGLBSA-N 1 0 317.311 3.110 20 5 DGBDRO CC[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000130288839 432020577 /nfs/dbraw/zinc/02/05/77/432020577.db2.gz XBIKEJDUHWNPFI-WMZOPIPTSA-N 1 0 314.385 3.239 20 5 DGBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000106439762 432021412 /nfs/dbraw/zinc/02/14/12/432021412.db2.gz GFLQSXGAGNKCAW-NEPJUHHUSA-N 1 0 319.405 3.093 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000287147927 219343338 /nfs/dbraw/zinc/34/33/38/219343338.db2.gz FAFWDUQXSRMNTF-CYBMUJFWSA-N 1 0 307.369 3.046 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173356302 186180274 /nfs/dbraw/zinc/18/02/74/186180274.db2.gz YQVDXPDPHDHBAR-MEDUHNTESA-N 1 0 304.321 3.118 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000187998189 186241661 /nfs/dbraw/zinc/24/16/61/186241661.db2.gz SZWOHWWKVIVJMQ-SQWLQELKSA-N 1 0 306.406 3.057 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000181920843 186219379 /nfs/dbraw/zinc/21/93/79/186219379.db2.gz GILXJIIXGUUMDB-BPUTZDHNSA-N 1 0 302.374 3.032 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000191867784 186267188 /nfs/dbraw/zinc/26/71/88/186267188.db2.gz ZREZRDWVMZPXGN-WFASDCNBSA-N 1 0 319.405 3.399 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCOCC1CC1)C1CC1 ZINC000268739017 186373277 /nfs/dbraw/zinc/37/32/77/186373277.db2.gz PFVZMMZGZFYKIE-KRWDZBQOSA-N 1 0 318.417 3.322 20 5 DGBDRO COCCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172114038 198041926 /nfs/dbraw/zinc/04/19/26/198041926.db2.gz MSAVBRXONUGQQJ-UHFFFAOYSA-N 1 0 321.402 3.235 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000172175675 198053161 /nfs/dbraw/zinc/05/31/61/198053161.db2.gz BKSPPIDISMSVKV-NSHDSACASA-N 1 0 310.781 3.249 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000280092583 215369365 /nfs/dbraw/zinc/36/93/65/215369365.db2.gz ZGDVPKWGMQNZIZ-QCQGSNGOSA-N 1 0 320.389 3.223 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C ZINC000172865255 198160319 /nfs/dbraw/zinc/16/03/19/198160319.db2.gz JGLAHVJWYZKMHZ-VXGBXAGGSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000072693727 191215583 /nfs/dbraw/zinc/21/55/83/191215583.db2.gz ZFKKPMXIHJJQLI-BBRMVZONSA-N 1 0 317.389 3.106 20 5 DGBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072775180 191227478 /nfs/dbraw/zinc/22/74/78/191227478.db2.gz AFPAXHRSSCEARP-SWLSCSKDSA-N 1 0 319.405 3.094 20 5 DGBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182173220 199398896 /nfs/dbraw/zinc/39/88/96/199398896.db2.gz CSSNGIVAEWXHPO-GFCCVEGCSA-N 1 0 312.797 3.497 20 5 DGBDRO CCOc1cc(C[N@H+](C)CCC2CCOCC2)ccc1[N+](=O)[O-] ZINC000276982798 213217857 /nfs/dbraw/zinc/21/78/57/213217857.db2.gz YRBPBELWNQWJOW-UHFFFAOYSA-N 1 0 322.405 3.242 20 5 DGBDRO CCC[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000166270908 432059974 /nfs/dbraw/zinc/05/99/74/432059974.db2.gz LGDHWFDOKRFMSL-IRXDYDNUSA-N 1 0 305.422 3.366 20 5 DGBDRO CCOc1cc(C[N@H+](C)CCCOC(C)C)ccc1[N+](=O)[O-] ZINC000276905924 213167481 /nfs/dbraw/zinc/16/74/81/213167481.db2.gz MLLHUWNKUNYBFL-UHFFFAOYSA-N 1 0 310.394 3.240 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[N@@H+]1C1CC1 ZINC000133545582 432066314 /nfs/dbraw/zinc/06/63/14/432066314.db2.gz MENWXTKMANHHJC-NWDGAFQWSA-N 1 0 312.373 3.180 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178700105 198914448 /nfs/dbraw/zinc/91/44/48/198914448.db2.gz HAJROBNWSQHFTR-JSGCOSHPSA-N 1 0 316.405 3.395 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C(C)C)C(C)C ZINC000180446538 199160674 /nfs/dbraw/zinc/16/06/74/199160674.db2.gz ZDXNHTBHBBSROJ-UHFFFAOYSA-N 1 0 307.394 3.351 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276648821 213022107 /nfs/dbraw/zinc/02/21/07/213022107.db2.gz QLYUGLXUAUSBLB-CQSZACIVSA-N 1 0 314.389 3.064 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H](SC)C1 ZINC000134543364 432078882 /nfs/dbraw/zinc/07/88/82/432078882.db2.gz OQNZLWWWJPOVBU-AWEZNQCLSA-N 1 0 310.419 3.321 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415486793 237207628 /nfs/dbraw/zinc/20/76/28/237207628.db2.gz SBFUPZVGZLHQLT-ZDUSSCGKSA-N 1 0 322.409 3.049 20 5 DGBDRO C[C@@H]1CCCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000187971718 200184457 /nfs/dbraw/zinc/18/44/57/200184457.db2.gz OPXCLDMIKAZSLY-GFCCVEGCSA-N 1 0 316.361 3.267 20 5 DGBDRO Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420268194 237693125 /nfs/dbraw/zinc/69/31/25/237693125.db2.gz HFZFNHFKYCRNIG-NXEZZACHSA-N 1 0 317.311 3.461 20 5 DGBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189121630 200351960 /nfs/dbraw/zinc/35/19/60/200351960.db2.gz RVLVNNBCZAATJT-RYUDHWBXSA-N 1 0 304.346 3.368 20 5 DGBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429573767 238055612 /nfs/dbraw/zinc/05/56/12/238055612.db2.gz BWDHZGKQMUOCLQ-SMDDNHRTSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429584357 238056230 /nfs/dbraw/zinc/05/62/30/238056230.db2.gz DTDNTGCHQOHHOC-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[C@H](C)C1 ZINC000430244332 238072537 /nfs/dbraw/zinc/07/25/37/238072537.db2.gz PBKKYTHMEFOIKK-DZGCQCFKSA-N 1 0 322.405 3.240 20 5 DGBDRO C[NH+](C)[C@]1(CNc2c(Cl)cccc2[N+](=O)[O-])CCSC1 ZINC000432309590 238124548 /nfs/dbraw/zinc/12/45/48/238124548.db2.gz BKLBAZPSQAKFEC-ZDUSSCGKSA-N 1 0 315.826 3.097 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281427572 216292948 /nfs/dbraw/zinc/29/29/48/216292948.db2.gz CAKLWSAFGNDDAH-MRXNPFEDSA-N 1 0 301.321 3.370 20 5 DGBDRO C[C@H]1CCC[N@H+](CCCCNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193386762 201043328 /nfs/dbraw/zinc/04/33/28/201043328.db2.gz RKMNOLVMXOADAR-ZDUSSCGKSA-N 1 0 306.410 3.101 20 5 DGBDRO Cc1ccc([C@@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000193397264 201044398 /nfs/dbraw/zinc/04/43/98/201044398.db2.gz IBPRKOVVSIOVGK-QGZVFWFLSA-N 1 0 314.389 3.200 20 5 DGBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C ZINC000246112995 432097464 /nfs/dbraw/zinc/09/74/64/432097464.db2.gz SLXXLNZITLDXIM-BFQNTYOBSA-N 1 0 320.389 3.376 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCOC3)o2)cc1 ZINC000171050401 432097613 /nfs/dbraw/zinc/09/76/13/432097613.db2.gz FTAAOYNTRZTIKI-CYBMUJFWSA-N 1 0 316.357 3.371 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000441444560 239051152 /nfs/dbraw/zinc/05/11/52/239051152.db2.gz DOVUQHVNYUTIKD-QWHCGFSZSA-N 1 0 308.378 3.103 20 5 DGBDRO CC(C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000271849482 209265759 /nfs/dbraw/zinc/26/57/59/209265759.db2.gz XEXMEXIHPVUSOW-MRXNPFEDSA-N 1 0 318.348 3.292 20 5 DGBDRO CC[C@@H](O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180786912 432100120 /nfs/dbraw/zinc/10/01/20/432100120.db2.gz HZZWERNUKRTTJA-MSOLQXFVSA-N 1 0 314.385 3.435 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH+](CC3CC3)CC3CC3)nc2c1 ZINC000444682044 239321261 /nfs/dbraw/zinc/32/12/61/239321261.db2.gz SIUVNRNFEDPOFB-UHFFFAOYSA-N 1 0 300.362 3.093 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000245642998 202533808 /nfs/dbraw/zinc/53/38/08/202533808.db2.gz YADKSCDOPPCTKQ-GVDBMIGSSA-N 1 0 316.401 3.075 20 5 DGBDRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447530931 239649820 /nfs/dbraw/zinc/64/98/20/239649820.db2.gz PRZDIFNHNRMQEY-HZPDHXFCSA-N 1 0 314.389 3.373 20 5 DGBDRO Cc1cc(C)n(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000271813040 209236607 /nfs/dbraw/zinc/23/66/07/209236607.db2.gz RYBCAOYFONXRCN-AWEZNQCLSA-N 1 0 302.378 3.067 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000449068748 240000941 /nfs/dbraw/zinc/00/09/41/240000941.db2.gz CJQFRZTVHRBWFS-XJKSGUPXSA-N 1 0 312.369 3.119 20 5 DGBDRO C[C@H](Cc1cccc(O)c1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449131837 240031602 /nfs/dbraw/zinc/03/16/02/240031602.db2.gz PXXDFDZHJHHOOE-KGLIPLIRSA-N 1 0 314.385 3.452 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000449129372 240031651 /nfs/dbraw/zinc/03/16/51/240031651.db2.gz BUWSIODBAHJVBA-UONOGXRCSA-N 1 0 314.385 3.452 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000449172152 240050752 /nfs/dbraw/zinc/05/07/52/240050752.db2.gz JOHNESYAACAXMI-HZTRTUMWSA-N 1 0 317.433 3.131 20 5 DGBDRO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449205655 240068223 /nfs/dbraw/zinc/06/82/23/240068223.db2.gz OIGQZLLOJKHHQH-VXGBXAGGSA-N 1 0 317.393 3.118 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000449225018 240077851 /nfs/dbraw/zinc/07/78/51/240077851.db2.gz JPARWUYEVNMNCJ-DOMZBBRYSA-N 1 0 306.406 3.462 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000449305137 240121233 /nfs/dbraw/zinc/12/12/33/240121233.db2.gz REHVFSUUBTYUHS-ZBFHGGJFSA-N 1 0 320.433 3.304 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC12CCOCC2 ZINC000449307388 240122348 /nfs/dbraw/zinc/12/23/48/240122348.db2.gz OZZCAWAWYAZTHW-YOEHRIQHSA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1=CCCCC1 ZINC000449376419 240163637 /nfs/dbraw/zinc/16/36/37/240163637.db2.gz NHGYUMARKLLGSG-CYBMUJFWSA-N 1 0 317.389 3.402 20 5 DGBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1csc([N+](=O)[O-])c1 ZINC000449383565 240169113 /nfs/dbraw/zinc/16/91/13/240169113.db2.gz IICJIZCALNPXFE-AWEZNQCLSA-N 1 0 311.451 3.256 20 5 DGBDRO COC[C@@]1(C)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000449393266 240172098 /nfs/dbraw/zinc/17/20/98/240172098.db2.gz LYBGGWHJIGWYBJ-ZGUWOUCSSA-N 1 0 304.390 3.357 20 5 DGBDRO CCCCN(C)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329131 240135018 /nfs/dbraw/zinc/13/50/18/240135018.db2.gz MNQIRIVSXAITGF-CABCVRRESA-N 1 0 307.438 3.236 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C(F)(F)F)C1 ZINC000449332266 240137294 /nfs/dbraw/zinc/13/72/94/240137294.db2.gz QNNAVAPJCFVFRR-OIKLOGQESA-N 1 0 302.296 3.456 20 5 DGBDRO COCC(C)(C)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449502376 240250389 /nfs/dbraw/zinc/25/03/89/240250389.db2.gz RNRIGIMDLKXEHB-HNNXBMFYSA-N 1 0 306.406 3.447 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000449582865 240303238 /nfs/dbraw/zinc/30/32/38/240303238.db2.gz HISURYRJSZDRHQ-ZDUSSCGKSA-N 1 0 316.405 3.173 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449589175 240306267 /nfs/dbraw/zinc/30/62/67/240306267.db2.gz MHBOBGPCRWGTCG-UKPHBRMFSA-N 1 0 306.406 3.057 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC3=CCCOC3)C2)cc1 ZINC000449501514 240251739 /nfs/dbraw/zinc/25/17/39/240251739.db2.gz PQTTWDKFCOUYNO-MRXNPFEDSA-N 1 0 302.374 3.121 20 5 DGBDRO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506972 240255111 /nfs/dbraw/zinc/25/51/11/240255111.db2.gz ZVLXYHFDFHZVQF-HNNXBMFYSA-N 1 0 314.389 3.314 20 5 DGBDRO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506961 240255339 /nfs/dbraw/zinc/25/53/39/240255339.db2.gz ZUQRNMYVZIARJY-CQSZACIVSA-N 1 0 300.362 3.006 20 5 DGBDRO CC(C)OCCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000449730834 240385649 /nfs/dbraw/zinc/38/56/49/240385649.db2.gz SJGVMIBKBYCSBR-UHFFFAOYSA-N 1 0 322.405 3.001 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cs1 ZINC000449613697 240319579 /nfs/dbraw/zinc/31/95/79/240319579.db2.gz COXYDYITSPCWQF-TZMCWYRMSA-N 1 0 319.386 3.061 20 5 DGBDRO COc1cccnc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449749192 240397532 /nfs/dbraw/zinc/39/75/32/240397532.db2.gz OPOKVXITESUPGL-ZDUSSCGKSA-N 1 0 315.373 3.109 20 5 DGBDRO COc1cc(C[N@H+](CC(C)C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000092009014 193141616 /nfs/dbraw/zinc/14/16/16/193141616.db2.gz YHSDTQHHZXQJEY-UHFFFAOYSA-N 1 0 308.378 3.232 20 5 DGBDRO CCOc1cc(C[N@H+]2CC[C@H](OCC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000451548635 241168228 /nfs/dbraw/zinc/16/82/28/241168228.db2.gz VFTKKXPMJLOOCL-CJNGLKHVSA-N 1 0 322.405 3.240 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCCn3ccnc3)C2)cc1 ZINC000451545536 241168854 /nfs/dbraw/zinc/16/88/54/241168854.db2.gz HPXKXLADJFFLNP-INIZCTEOSA-N 1 0 314.389 3.061 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451706214 241214044 /nfs/dbraw/zinc/21/40/44/241214044.db2.gz LTWYLHWPNWBKCR-TYNCELHUSA-N 1 0 324.808 3.231 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2[C@@H](C)CCC2(C)C)cccc1[N+](=O)[O-] ZINC000452008412 241296367 /nfs/dbraw/zinc/29/63/67/241296367.db2.gz OYDZOJBDZWKEKM-LBPRGKRZSA-N 1 0 319.405 3.495 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2OCC)ccc1[N+](=O)[O-] ZINC000452016705 241298613 /nfs/dbraw/zinc/29/86/13/241298613.db2.gz OCYSDXCGXLGTIY-UKRRQHHQSA-N 1 0 308.378 3.041 20 5 DGBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459606158 243429530 /nfs/dbraw/zinc/42/95/30/243429530.db2.gz FCGXSJAKAXFCDW-WBMJQRKESA-N 1 0 305.378 3.092 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459792537 243503766 /nfs/dbraw/zinc/50/37/66/243503766.db2.gz SGWLYYHSSMQSKS-RRQGHBQHSA-N 1 0 318.417 3.463 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000459807621 243507993 /nfs/dbraw/zinc/50/79/93/243507993.db2.gz RGZWXIQTYHCXOM-GXTWGEPZSA-N 1 0 319.405 3.480 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](CO)CC1CCCC1 ZINC000466418511 243917891 /nfs/dbraw/zinc/91/78/91/243917891.db2.gz YIJKYFNJBVSMJW-MEMKZHQFSA-N 1 0 318.417 3.386 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000114225422 284107049 /nfs/dbraw/zinc/10/70/49/284107049.db2.gz JUKXWKIECROKDC-CQSZACIVSA-N 1 0 319.405 3.415 20 5 DGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468551045 244052873 /nfs/dbraw/zinc/05/28/73/244052873.db2.gz BYWJCCMXWNALHL-SQWLQELKSA-N 1 0 308.422 3.303 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000468585763 244054154 /nfs/dbraw/zinc/05/41/54/244054154.db2.gz LLCYCABGPQUJDO-ZGUWOUCSSA-N 1 0 318.417 3.385 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)C[C@@H](C)O ZINC000468641732 244055698 /nfs/dbraw/zinc/05/56/98/244055698.db2.gz FMPFBGQGYAMDFF-MAUPQMMJSA-N 1 0 306.406 3.385 20 5 DGBDRO CC[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000468626693 244057147 /nfs/dbraw/zinc/05/71/47/244057147.db2.gz HYKPPCANZLLOGX-JBXOJTMHSA-N 1 0 317.433 3.462 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)C[C@H](C)O ZINC000468641733 244057704 /nfs/dbraw/zinc/05/77/04/244057704.db2.gz FMPFBGQGYAMDFF-MQJVFOOVSA-N 1 0 306.406 3.385 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CCCCC1 ZINC000468655453 244060129 /nfs/dbraw/zinc/06/01/29/244060129.db2.gz LCUGTEXYWUSCNQ-UVTDQMKNSA-N 1 0 304.390 3.283 20 5 DGBDRO CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(OCC)c1 ZINC000469207053 244089010 /nfs/dbraw/zinc/08/90/10/244089010.db2.gz PALKTHPXJBDNNT-UHFFFAOYSA-N 1 0 309.410 3.162 20 5 DGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2o1 ZINC000469737939 244121234 /nfs/dbraw/zinc/12/12/34/244121234.db2.gz RBNYHXQAIFOILI-UHFFFAOYSA-N 1 0 311.341 3.411 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000093214206 193217577 /nfs/dbraw/zinc/21/75/77/193217577.db2.gz NYPROXHBYNDNLC-NXEZZACHSA-N 1 0 314.183 3.039 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCO)CC1CCCCC1 ZINC000485722164 244936591 /nfs/dbraw/zinc/93/65/91/244936591.db2.gz CWZVCFTWQXKBLY-POHAHGRESA-N 1 0 318.417 3.483 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000263931185 203642350 /nfs/dbraw/zinc/64/23/50/203642350.db2.gz AGVXIRMLDDWDSA-ZDUSSCGKSA-N 1 0 307.394 3.208 20 5 DGBDRO Cc1cc(NC[C@@H](C)C[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000488994521 245260686 /nfs/dbraw/zinc/26/06/86/245260686.db2.gz QYVPEGQNGLTIHN-LLVKDONJSA-N 1 0 302.378 3.061 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)cccc1[N+](=O)[O-] ZINC000271737805 209169519 /nfs/dbraw/zinc/16/95/19/209169519.db2.gz PURVZYCUFMBOHJ-UONOGXRCSA-N 1 0 320.389 3.240 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000126414426 284304385 /nfs/dbraw/zinc/30/43/85/284304385.db2.gz XKBXKXYRVXFBFM-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCSC3)o2)cc1 ZINC000266160674 205149140 /nfs/dbraw/zinc/14/91/40/205149140.db2.gz NHRNPMUBYVAARL-GFCCVEGCSA-N 1 0 304.371 3.450 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000127822025 284353046 /nfs/dbraw/zinc/35/30/46/284353046.db2.gz MXWSBLGTMXAFGC-MRXNPFEDSA-N 1 0 308.341 3.197 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3=CCCOC3)o2)c1 ZINC000288519229 220195112 /nfs/dbraw/zinc/19/51/12/220195112.db2.gz ULXVLGQFPCWJKK-UHFFFAOYSA-N 1 0 314.341 3.291 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000181492390 432131646 /nfs/dbraw/zinc/13/16/46/432131646.db2.gz MSDCLPISMAYWEA-HNNXBMFYSA-N 1 0 310.369 3.155 20 5 DGBDRO Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000130411460 284441245 /nfs/dbraw/zinc/44/12/45/284441245.db2.gz MYBFCHSAZMJGCO-NVXWUHKLSA-N 1 0 313.401 3.434 20 5 DGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000494476791 246152688 /nfs/dbraw/zinc/15/26/88/246152688.db2.gz PNILMBQMLQFONM-TVQRCGJNSA-N 1 0 318.295 3.271 20 5 DGBDRO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000137407454 284519081 /nfs/dbraw/zinc/51/90/81/284519081.db2.gz MBCVLQABVOQWAC-ZDUSSCGKSA-N 1 0 313.357 3.193 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000268812551 432139829 /nfs/dbraw/zinc/13/98/29/432139829.db2.gz BELFHKMLGRJOSD-YTEVENLXSA-N 1 0 318.398 3.183 20 5 DGBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000181811149 432145904 /nfs/dbraw/zinc/14/59/04/432145904.db2.gz NSNKYJSYVKTJQY-ZDUSSCGKSA-N 1 0 301.346 3.110 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268977041 432148426 /nfs/dbraw/zinc/14/84/26/432148426.db2.gz JSZQEEVPVOAPCZ-YOEHRIQHSA-N 1 0 314.385 3.412 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000284396848 218011222 /nfs/dbraw/zinc/01/12/22/218011222.db2.gz MUNLOUNEYNXCOR-SNVBAGLBSA-N 1 0 323.299 3.442 20 5 DGBDRO CC(C)C[C@H](CO)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245552472 284823647 /nfs/dbraw/zinc/82/36/47/284823647.db2.gz PSDWTIJVJIESRF-UAGQMJEPSA-N 1 0 320.433 3.303 20 5 DGBDRO Cc1nccn1CCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000268908333 207077326 /nfs/dbraw/zinc/07/73/26/207077326.db2.gz YDTQGAUNLGQCIX-AWEZNQCLSA-N 1 0 316.405 3.101 20 5 DGBDRO COc1ccccc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268919532 207086635 /nfs/dbraw/zinc/08/66/35/207086635.db2.gz IXBRPOVTHMFVBN-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO C[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCCC1 ZINC000060390879 184147990 /nfs/dbraw/zinc/14/79/90/184147990.db2.gz DWXFUSPSHWURTJ-GFCCVEGCSA-N 1 0 311.813 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)CCC2 ZINC000248832091 285029333 /nfs/dbraw/zinc/02/93/33/285029333.db2.gz HSTHMORVWHFQIG-SRCQZFHVSA-N 1 0 304.390 3.113 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000249011107 285046138 /nfs/dbraw/zinc/04/61/38/285046138.db2.gz IQLRBMJOPNUYGR-IACUBPJLSA-N 1 0 308.378 3.212 20 5 DGBDRO Cc1ccc(Sc2ccc(C[NH2+]CCO)cc2[N+](=O)[O-])cc1 ZINC000119927102 195063779 /nfs/dbraw/zinc/06/37/79/195063779.db2.gz NAFDDZRAMSXVPS-UHFFFAOYSA-N 1 0 318.398 3.136 20 5 DGBDRO Cc1cc(N(C)CC[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302705153 252888585 /nfs/dbraw/zinc/88/85/85/252888585.db2.gz JKVQEMYIBQEGNW-CQSZACIVSA-N 1 0 315.373 3.457 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C[NH+](C)C ZINC000336848595 253006243 /nfs/dbraw/zinc/00/62/43/253006243.db2.gz LJGPODGWRLUQJM-SECBINFHSA-N 1 0 305.300 3.223 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000336875258 253016718 /nfs/dbraw/zinc/01/67/18/253016718.db2.gz DCGQZJBHMRMUBW-BLLLJJGKSA-N 1 0 323.441 3.042 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)c(Cl)c1 ZINC000337310650 253083727 /nfs/dbraw/zinc/08/37/27/253083727.db2.gz UTKKMYPGLKLEOP-NEPJUHHUSA-N 1 0 320.723 3.498 20 5 DGBDRO O=C(CC[N@H+](CC1CC1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000337442455 253116506 /nfs/dbraw/zinc/11/65/06/253116506.db2.gz AQNGXMQEASVSGG-UHFFFAOYSA-N 1 0 317.389 3.188 20 5 DGBDRO CC(C)CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000337344099 253092944 /nfs/dbraw/zinc/09/29/44/253092944.db2.gz YJVMQGQZQPECLS-UHFFFAOYSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@H]([NH2+]CCCO[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000338280914 253256068 /nfs/dbraw/zinc/25/60/68/253256068.db2.gz DMNZNZZDDVLPPQ-XJKSGUPXSA-N 1 0 308.378 3.179 20 5 DGBDRO C[C@@H]([NH2+]CCCO[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000338280908 253256575 /nfs/dbraw/zinc/25/65/75/253256575.db2.gz DMNZNZZDDVLPPQ-CZUORRHYSA-N 1 0 308.378 3.179 20 5 DGBDRO C[C@H]([NH2+]CCCO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000338280893 253256590 /nfs/dbraw/zinc/25/65/90/253256590.db2.gz DMNZNZZDDVLPPQ-BBRMVZONSA-N 1 0 308.378 3.179 20 5 DGBDRO C[C@H]([NH2+]CCCO[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000338289931 253258355 /nfs/dbraw/zinc/25/83/55/253258355.db2.gz PPLRWOIEDKQGJI-XJKSGUPXSA-N 1 0 308.378 3.179 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000437541697 285111217 /nfs/dbraw/zinc/11/12/17/285111217.db2.gz XMWMXJROHSYCJC-HOTGVXAUSA-N 1 0 306.431 3.497 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)CCC2 ZINC000253354644 285108672 /nfs/dbraw/zinc/10/86/72/285108672.db2.gz FDLKURAXZXBMOG-IAOVAPTHSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](O)C3)s2)cc1 ZINC000158751913 197298649 /nfs/dbraw/zinc/29/86/49/197298649.db2.gz CZHAFXCSTCTERA-CQSZACIVSA-N 1 0 318.398 3.280 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CCOCC1 ZINC000271019308 208557209 /nfs/dbraw/zinc/55/72/09/208557209.db2.gz ADPVMYMWOZUEIL-AWEZNQCLSA-N 1 0 324.446 3.482 20 5 DGBDRO CC[N@H+](CC1CC1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157895258 197224278 /nfs/dbraw/zinc/22/42/78/197224278.db2.gz UVGOIHWDUFTSDW-NSHDSACASA-N 1 0 316.361 3.438 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000157695524 197209098 /nfs/dbraw/zinc/20/90/98/197209098.db2.gz PHWQWBBMHDFBRB-BZNIZROVSA-N 1 0 304.321 3.118 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000157634250 197203920 /nfs/dbraw/zinc/20/39/20/197203920.db2.gz KXKGIDZDCBUNPZ-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO CC[C@@H](C)[NH2+][C@H](CNc1nccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000343245226 254119660 /nfs/dbraw/zinc/11/96/60/254119660.db2.gz BVNHLYZDXIARAI-CHWSQXEVSA-N 1 0 318.377 3.433 20 5 DGBDRO CCOc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343618295 254168446 /nfs/dbraw/zinc/16/84/46/254168446.db2.gz FDFAACOZBZXDQG-ZFWWWQNUSA-N 1 0 319.405 3.057 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343676492 254176544 /nfs/dbraw/zinc/17/65/44/254176544.db2.gz AHTHOWWKEDROPD-XJKSGUPXSA-N 1 0 319.405 3.068 20 5 DGBDRO Cc1ccccc1[C@@H]([C@H](C)Nc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000343798224 254190363 /nfs/dbraw/zinc/19/03/63/254190363.db2.gz XTDAAOGDGMLVHX-SUMWQHHRSA-N 1 0 314.389 3.402 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000343940161 254204879 /nfs/dbraw/zinc/20/48/79/254204879.db2.gz DCZWGWVUHBXZKJ-AWEZNQCLSA-N 1 0 307.394 3.280 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CC=CCC1 ZINC000344061830 254219191 /nfs/dbraw/zinc/21/91/91/254219191.db2.gz MUORRQJMYLGXTL-KGLIPLIRSA-N 1 0 317.389 3.210 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344089529 254223761 /nfs/dbraw/zinc/22/37/61/254223761.db2.gz JIKAQGWPQAUWPS-JSGCOSHPSA-N 1 0 317.389 3.044 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344097896 254224522 /nfs/dbraw/zinc/22/45/22/254224522.db2.gz CMQIMJHALYSLGD-IINYFYTJSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCC(=O)OC(C)(C)C ZINC000344210042 254239557 /nfs/dbraw/zinc/23/95/57/254239557.db2.gz CZDNHCXLMUJICO-GFCCVEGCSA-N 1 0 308.378 3.319 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCc3occc3C2)c1 ZINC000344240524 254244090 /nfs/dbraw/zinc/24/40/90/254244090.db2.gz CRDPPJIIWCTEDA-UHFFFAOYSA-N 1 0 302.330 3.015 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000344376579 254263540 /nfs/dbraw/zinc/26/35/40/254263540.db2.gz YBUBEEPKRVRMKH-OICCZTGUSA-N 1 0 316.332 3.070 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1c(C)nn(C)c1C ZINC000344796747 254306231 /nfs/dbraw/zinc/30/62/31/254306231.db2.gz VJPGZTOEMWFXKL-WQLSENKSSA-N 1 0 314.389 3.138 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNc1ccccn1 ZINC000344871842 254311803 /nfs/dbraw/zinc/31/18/03/254311803.db2.gz ZFADHPUTVKYFFA-SDNWHVSQSA-N 1 0 312.373 3.095 20 5 DGBDRO COc1ccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cn1 ZINC000344918910 254316005 /nfs/dbraw/zinc/31/60/05/254316005.db2.gz XXTLTTFPLMOSJF-MDWZMJQESA-N 1 0 313.357 3.192 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000156362245 197106619 /nfs/dbraw/zinc/10/66/19/197106619.db2.gz QWEJQTOBKLCXPK-HNNXBMFYSA-N 1 0 316.405 3.457 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000153927274 196922530 /nfs/dbraw/zinc/92/25/30/196922530.db2.gz PAXJZNGAUIJTPT-UPJWGTAASA-N 1 0 310.394 3.051 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000271562753 209016162 /nfs/dbraw/zinc/01/61/62/209016162.db2.gz PWIQAHYBEBHBBX-DGCLKSJQSA-N 1 0 316.361 3.408 20 5 DGBDRO CCC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271590408 209038248 /nfs/dbraw/zinc/03/82/48/209038248.db2.gz YGHKAEAQBSUHRV-OLZOCXBDSA-N 1 0 320.311 3.339 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000305766778 285302069 /nfs/dbraw/zinc/30/20/69/285302069.db2.gz GOINVUTZYIYXEZ-QSPRXWTASA-N 1 0 318.417 3.199 20 5 DGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000289824557 221250184 /nfs/dbraw/zinc/25/01/84/221250184.db2.gz OHINDZNDSCERKV-CQSZACIVSA-N 1 0 322.405 3.253 20 5 DGBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289880641 221288842 /nfs/dbraw/zinc/28/88/42/221288842.db2.gz RVLVNNBCZAATJT-NEPJUHHUSA-N 1 0 304.346 3.368 20 5 DGBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289897854 221301899 /nfs/dbraw/zinc/30/18/99/221301899.db2.gz WQUXMLLCQLVBFC-SPCSRVOQSA-N 1 0 315.417 3.165 20 5 DGBDRO C[C@H](CCCCO)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295006733 224373306 /nfs/dbraw/zinc/37/33/06/224373306.db2.gz IZNFQBXCZAQBSO-INMHGKMJSA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000294992983 224364240 /nfs/dbraw/zinc/36/42/40/224364240.db2.gz HSXMBBMEIPWBEE-GFCCVEGCSA-N 1 0 318.373 3.494 20 5 DGBDRO Cc1ncsc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295031115 224390388 /nfs/dbraw/zinc/39/03/88/224390388.db2.gz NXBOGAAFDUESGE-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000126343806 195831288 /nfs/dbraw/zinc/83/12/88/195831288.db2.gz IMEYOWIHMIRFCM-UHFFFAOYSA-N 1 0 302.378 3.226 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]([NH+](C)C)C1 ZINC000470170262 533383301 /nfs/dbraw/zinc/38/33/01/533383301.db2.gz RGUZKBPMXXRDOI-QXSWTLKVSA-N 1 0 303.406 3.024 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177561262 533328077 /nfs/dbraw/zinc/32/80/77/533328077.db2.gz VTHJVRATPABGFD-MELADBBJSA-N 1 0 317.389 3.044 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449578472 533408341 /nfs/dbraw/zinc/40/83/41/533408341.db2.gz MTAUQGBHHZFFQE-IQUZECRKSA-N 1 0 304.390 3.139 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC[C@@H](C)C1 ZINC000468636382 533408730 /nfs/dbraw/zinc/40/87/30/533408730.db2.gz AGBKSCZSGKCWQN-YLQKULKDSA-N 1 0 317.433 3.320 20 5 DGBDRO COc1cccc(NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000317006770 533618828 /nfs/dbraw/zinc/61/88/28/533618828.db2.gz ILZYCRXLEKSFDJ-CYBMUJFWSA-N 1 0 307.394 3.280 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000066410721 400086354 /nfs/dbraw/zinc/08/63/54/400086354.db2.gz XKWSXZPWCWXTDK-CYBMUJFWSA-N 1 0 303.387 3.343 20 5 DGBDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595047489 400088455 /nfs/dbraw/zinc/08/84/55/400088455.db2.gz FPSQKTNKFVBVAY-LBPRGKRZSA-N 1 0 310.394 3.317 20 5 DGBDRO CCC(C)(C)OCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595053531 400091598 /nfs/dbraw/zinc/09/15/98/400091598.db2.gz VUURBTZAKRESRR-GFCCVEGCSA-N 1 0 310.394 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cccc(C)n1 ZINC000595054820 400091707 /nfs/dbraw/zinc/09/17/07/400091707.db2.gz PTEJTYFQYMWJTJ-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO COCC1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595053542 400091864 /nfs/dbraw/zinc/09/18/64/400091864.db2.gz WBMNYIFCKVVMBW-HSBZDZAISA-N 1 0 322.405 3.459 20 5 DGBDRO CC(C)(C)OCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595077403 400100839 /nfs/dbraw/zinc/10/08/39/400100839.db2.gz QVPGAWSUMUQFAE-UONOGXRCSA-N 1 0 324.425 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)CC1CC1)CCCC2 ZINC000595089404 400102498 /nfs/dbraw/zinc/10/24/98/400102498.db2.gz OFGQXHFUVIPMAP-KSSFIOAISA-N 1 0 318.417 3.361 20 5 DGBDRO CCSC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595091304 400102688 /nfs/dbraw/zinc/10/26/88/400102688.db2.gz GVOFYMXWCDWODG-QWHCGFSZSA-N 1 0 324.450 3.150 20 5 DGBDRO CO[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCC1 ZINC000595094165 400103743 /nfs/dbraw/zinc/10/37/43/400103743.db2.gz HNFCDIMJDPHUFH-RDJZCZTQSA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1=CCCC1 ZINC000595096286 400105393 /nfs/dbraw/zinc/10/53/93/400105393.db2.gz IUZVWXQDLTXKSW-LBPRGKRZSA-N 1 0 303.362 3.012 20 5 DGBDRO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)CC(C)C ZINC000303241902 400107352 /nfs/dbraw/zinc/10/73/52/400107352.db2.gz KEDMPZATDYHOCZ-UHFFFAOYSA-N 1 0 324.421 3.486 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCOC1(C)C ZINC000595106075 400107428 /nfs/dbraw/zinc/10/74/28/400107428.db2.gz HQSULONEQGOGKD-VXGBXAGGSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000595022741 400079793 /nfs/dbraw/zinc/07/97/93/400079793.db2.gz VEXQDTSJWSOBLD-NZVBXONLSA-N 1 0 308.378 3.068 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000595027007 400080370 /nfs/dbraw/zinc/08/03/70/400080370.db2.gz KUZBTAKXNCUPNQ-HUBLWGQQSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000595027839 400081865 /nfs/dbraw/zinc/08/18/65/400081865.db2.gz UALOCXUQXDRSAD-ZOWXZIJZSA-N 1 0 308.378 3.069 20 5 DGBDRO COC1([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000595032240 400082997 /nfs/dbraw/zinc/08/29/97/400082997.db2.gz JIFKUDWMNMAFKG-LLVKDONJSA-N 1 0 312.797 3.338 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@](C)(OC)C1CC1 ZINC000595039660 400084990 /nfs/dbraw/zinc/08/49/90/400084990.db2.gz UZFYCAIEUCLHTO-BZNIZROVSA-N 1 0 308.378 3.069 20 5 DGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000587979753 400176163 /nfs/dbraw/zinc/17/61/63/400176163.db2.gz BCYMVLSJBCZSRB-ZDUSSCGKSA-N 1 0 305.378 3.084 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000595524070 400176336 /nfs/dbraw/zinc/17/63/36/400176336.db2.gz QCRLGNMLYNRYDJ-MRXNPFEDSA-N 1 0 324.396 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2-n2cccn2)cc1 ZINC000325126868 400179114 /nfs/dbraw/zinc/17/91/14/400179114.db2.gz DWOHVMGSLHIIDV-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCN1CCCc2ccccc21 ZINC000608782128 400119721 /nfs/dbraw/zinc/11/97/21/400119721.db2.gz XZNCNCQMHOYZDI-UHFFFAOYSA-N 1 0 311.385 3.137 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595318718 400124876 /nfs/dbraw/zinc/12/48/76/400124876.db2.gz VMFCIBFKRNVJCL-HNNXBMFYSA-N 1 0 315.373 3.346 20 5 DGBDRO CCC[N@H+](CCc1cccc(F)c1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595324983 400126561 /nfs/dbraw/zinc/12/65/61/400126561.db2.gz UIFYZUZAEGSFAZ-UHFFFAOYSA-N 1 0 321.352 3.485 20 5 DGBDRO Cc1noc(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000595339502 400130689 /nfs/dbraw/zinc/13/06/89/400130689.db2.gz QEMJZZRREVDBJA-OCCSQVGLSA-N 1 0 301.346 3.269 20 5 DGBDRO CO[C@@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCC1 ZINC000595353162 400134277 /nfs/dbraw/zinc/13/42/77/400134277.db2.gz NEIHGENCSDEJJV-KRWDZBQOSA-N 1 0 304.390 3.374 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000609120969 400141584 /nfs/dbraw/zinc/14/15/84/400141584.db2.gz QFNQXMYEBGCRJL-MRXNPFEDSA-N 1 0 317.389 3.106 20 5 DGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1sccc1[N+](=O)[O-] ZINC000588083409 400187371 /nfs/dbraw/zinc/18/73/71/400187371.db2.gz PILPJBMZZDMIPY-UHFFFAOYSA-N 1 0 309.391 3.208 20 5 DGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccsc1[N+](=O)[O-] ZINC000588083382 400187418 /nfs/dbraw/zinc/18/74/18/400187418.db2.gz ANRDQXSGYIVZLI-UHFFFAOYSA-N 1 0 309.391 3.208 20 5 DGBDRO C[N@H+](CCOCc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000595473300 400161216 /nfs/dbraw/zinc/16/12/16/400161216.db2.gz ACVUIQFDHCXVRM-UHFFFAOYSA-N 1 0 314.385 3.286 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000595559457 400187868 /nfs/dbraw/zinc/18/78/68/400187868.db2.gz SHJQCNWVZBTION-MRXNPFEDSA-N 1 0 322.380 3.177 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[N@H+](C)C1CC1 ZINC000092649544 400188199 /nfs/dbraw/zinc/18/81/99/400188199.db2.gz VSNXFUKWUBUNRG-SECBINFHSA-N 1 0 315.320 3.091 20 5 DGBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595677566 400224858 /nfs/dbraw/zinc/22/48/58/400224858.db2.gz PAXHNFYMNIYPRP-NHYWBVRUSA-N 1 0 312.797 3.231 20 5 DGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610281902 400234335 /nfs/dbraw/zinc/23/43/35/400234335.db2.gz XAYRVVWSWHHZOL-CQSZACIVSA-N 1 0 317.414 3.367 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752667 400249376 /nfs/dbraw/zinc/24/93/76/400249376.db2.gz VEFOHOJTFNQYTL-GUYCJALGSA-N 1 0 304.390 3.201 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610368838 400252320 /nfs/dbraw/zinc/25/23/20/400252320.db2.gz UTMVGBJSIMHDBD-UONOGXRCSA-N 1 0 300.362 3.189 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595565112 400190044 /nfs/dbraw/zinc/19/00/44/400190044.db2.gz AZSWDFAOXSASDU-BBRMVZONSA-N 1 0 317.389 3.106 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCCCCC1 ZINC000026155919 400254195 /nfs/dbraw/zinc/25/41/95/400254195.db2.gz LYIGTUBBBQODHN-UHFFFAOYSA-N 1 0 305.378 3.108 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000595634661 400213553 /nfs/dbraw/zinc/21/35/53/400213553.db2.gz HOEBVSRXNFYQJE-CTASWTNQSA-N 1 0 304.390 3.057 20 5 DGBDRO O=[N+]([O-])c1sccc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000067910620 400216756 /nfs/dbraw/zinc/21/67/56/400216756.db2.gz SEBMPGTYESJXME-UHFFFAOYSA-N 1 0 317.414 3.369 20 5 DGBDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000595642724 400216810 /nfs/dbraw/zinc/21/68/10/400216810.db2.gz RMZCICITQMIYLM-LLVKDONJSA-N 1 0 308.378 3.296 20 5 DGBDRO COc1cc(F)cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000093970503 400265613 /nfs/dbraw/zinc/26/56/13/400265613.db2.gz HPTJBOCDNJYRFK-UHFFFAOYSA-N 1 0 320.320 3.041 20 5 DGBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC(F)CC1 ZINC000595820702 400269519 /nfs/dbraw/zinc/26/95/19/400269519.db2.gz VAVLYNKPBKEIKW-UNXYVOJBSA-N 1 0 320.368 3.478 20 5 DGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589206585 400277207 /nfs/dbraw/zinc/27/72/07/400277207.db2.gz UAKAMMGDWAIGKK-BDLCJYEQSA-N 1 0 315.417 3.024 20 5 DGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1Cc2ccccc2C1 ZINC000610581002 400277957 /nfs/dbraw/zinc/27/79/57/400277957.db2.gz VPTYNPOTRIAHIO-UHFFFAOYSA-N 1 0 323.352 3.335 20 5 DGBDRO C[N@@H+]1CCC[C@H](CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596119849 400322737 /nfs/dbraw/zinc/32/27/37/400322737.db2.gz QJRBRXYDGUHUMO-SNVBAGLBSA-N 1 0 317.311 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000595912226 400293570 /nfs/dbraw/zinc/29/35/70/400293570.db2.gz ZVWLNLXXDNXCFG-HDICACEKSA-N 1 0 316.401 3.030 20 5 DGBDRO Cc1nn(C)cc1[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610729593 400297437 /nfs/dbraw/zinc/29/74/37/400297437.db2.gz QVRYWYUXEKPPTD-HNNXBMFYSA-N 1 0 318.352 3.113 20 5 DGBDRO COC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102418987 400298118 /nfs/dbraw/zinc/29/81/18/400298118.db2.gz OZSBWOVMYOVXTB-LLVKDONJSA-N 1 0 306.387 3.448 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)C[C@H](C)C2)c1 ZINC000589501634 400302487 /nfs/dbraw/zinc/30/24/87/400302487.db2.gz UQZAZGNPAGZKJM-OLZOCXBDSA-N 1 0 320.389 3.249 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596058029 400306488 /nfs/dbraw/zinc/30/64/88/400306488.db2.gz BFNCBNJDGRMVPI-MRXNPFEDSA-N 1 0 317.433 3.115 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1OCc1cccc2c1CC[NH2+]C2 ZINC000596071856 400309659 /nfs/dbraw/zinc/30/96/59/400309659.db2.gz UAJRTIAZTRWNNV-UHFFFAOYSA-N 1 0 318.760 3.473 20 5 DGBDRO Cc1cc(OCc2cccc3c2CC[NH2+]C3)c(F)cc1[N+](=O)[O-] ZINC000596071697 400309927 /nfs/dbraw/zinc/30/99/27/400309927.db2.gz SDQUJKHCZYTLMW-UHFFFAOYSA-N 1 0 316.332 3.267 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCC(C)CC1 ZINC000596092462 400315154 /nfs/dbraw/zinc/31/51/54/400315154.db2.gz AMRVRONBAQZJSA-SWKXRBFHSA-N 1 0 320.433 3.447 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(O)CCC(C)CC1 ZINC000596097468 400316423 /nfs/dbraw/zinc/31/64/23/400316423.db2.gz XENUFVLOZHYCGV-UIORMTCPSA-N 1 0 322.405 3.195 20 5 DGBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596096798 400316852 /nfs/dbraw/zinc/31/68/52/400316852.db2.gz BBZMUOXZDQANLU-VIFPVBQESA-N 1 0 305.300 3.366 20 5 DGBDRO C[NH2+]C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000596108759 400319542 /nfs/dbraw/zinc/31/95/42/400319542.db2.gz XTYDREKLYZXMAA-NSHDSACASA-N 1 0 305.403 3.021 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000595787662 400259911 /nfs/dbraw/zinc/25/99/11/400259911.db2.gz FTURQROTMVNNIN-DOTOQJQBSA-N 1 0 304.390 3.376 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000595792269 400262566 /nfs/dbraw/zinc/26/25/66/400262566.db2.gz ZBLDAVMPSVOOPN-SJLPKXTDSA-N 1 0 318.417 3.418 20 5 DGBDRO C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000611335878 400379401 /nfs/dbraw/zinc/37/94/01/400379401.db2.gz HVIWGBNTYRLDKG-SUNYJGFJSA-N 1 0 314.385 3.410 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CO ZINC000611336943 400380292 /nfs/dbraw/zinc/38/02/92/400380292.db2.gz PROGENSYQQLIRO-GFCCVEGCSA-N 1 0 312.435 3.074 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCCCC1 ZINC000611336634 400380408 /nfs/dbraw/zinc/38/04/08/400380408.db2.gz VXNWANVENIYOGY-HNNXBMFYSA-N 1 0 320.433 3.448 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000038079405 400394703 /nfs/dbraw/zinc/39/47/03/400394703.db2.gz ZLIABHKJTCKEKW-UHFFFAOYSA-N 1 0 306.749 3.417 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000035246532 400387688 /nfs/dbraw/zinc/38/76/88/400387688.db2.gz CKHZYMJCRUTQSS-NSHDSACASA-N 1 0 317.311 3.144 20 5 DGBDRO CCOc1cc(C[N@H+](CCOC)C2CCCC2)ccc1[N+](=O)[O-] ZINC000617196133 400326755 /nfs/dbraw/zinc/32/67/55/400326755.db2.gz VFFNPCZEQGAKDD-UHFFFAOYSA-N 1 0 322.405 3.385 20 5 DGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000590080195 400353965 /nfs/dbraw/zinc/35/39/65/400353965.db2.gz PFKYIZLBNUDQNY-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO CSC1(CNc2cc(C)sc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000596238133 400358017 /nfs/dbraw/zinc/35/80/17/400358017.db2.gz JINBTKPQADVNIY-UHFFFAOYSA-N 1 0 315.464 3.204 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000111398512 400363865 /nfs/dbraw/zinc/36/38/65/400363865.db2.gz ZJNDIPFHVZWICN-CVEARBPZSA-N 1 0 312.369 3.497 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(OC[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000596306062 400375622 /nfs/dbraw/zinc/37/56/22/400375622.db2.gz YOEPGNPDLFSWMT-CYBMUJFWSA-N 1 0 308.378 3.245 20 5 DGBDRO CC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596306869 400375705 /nfs/dbraw/zinc/37/57/05/400375705.db2.gz JBSQYASWTRXZJJ-ZDUSSCGKSA-N 1 0 319.405 3.330 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000596308371 400375752 /nfs/dbraw/zinc/37/57/52/400375752.db2.gz RGWMCNUPVJRJMU-ZDUSSCGKSA-N 1 0 306.410 3.139 20 5 DGBDRO C[C@H](CCNc1c(Br)cccc1[N+](=O)[O-])[NH+](C)C ZINC000596434964 400414687 /nfs/dbraw/zinc/41/46/87/400414687.db2.gz ZQCYBDFHIDERKB-SECBINFHSA-N 1 0 316.199 3.109 20 5 DGBDRO O=[N+]([O-])c1ccsc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000611414000 400397493 /nfs/dbraw/zinc/39/74/93/400397493.db2.gz ALFCKIZBBJEQQE-UHFFFAOYSA-N 1 0 318.402 3.380 20 5 DGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072698043 400398707 /nfs/dbraw/zinc/39/87/07/400398707.db2.gz OTNFLDVAJQHLLB-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)C([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000611434009 400400577 /nfs/dbraw/zinc/40/05/77/400400577.db2.gz CQRZUDFHBXKCIS-UHFFFAOYSA-N 1 0 318.377 3.415 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000611464402 400405884 /nfs/dbraw/zinc/40/58/84/400405884.db2.gz MONHXTVNZQQFEF-SECBINFHSA-N 1 0 322.258 3.474 20 5 DGBDRO CC[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000590648002 400408758 /nfs/dbraw/zinc/40/87/58/400408758.db2.gz AXQQXGSLFUXEBK-UONOGXRCSA-N 1 0 312.797 3.338 20 5 DGBDRO Cc1cnc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596477885 400424259 /nfs/dbraw/zinc/42/42/59/400424259.db2.gz LJPMVAIICIVYGO-CYBMUJFWSA-N 1 0 304.394 3.117 20 5 DGBDRO Nc1c(F)c(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596480165 400424458 /nfs/dbraw/zinc/42/44/58/400424458.db2.gz WTSRCSCBFXHAHH-LLVKDONJSA-N 1 0 322.384 3.135 20 5 DGBDRO Cc1cc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000596480945 400425916 /nfs/dbraw/zinc/42/59/16/400425916.db2.gz VGARSBUSONCZAP-ZDUSSCGKSA-N 1 0 304.394 3.117 20 5 DGBDRO COc1cccc2c1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000590759785 400429935 /nfs/dbraw/zinc/42/99/35/400429935.db2.gz NVZHTZHCLQLAMY-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756394 400428452 /nfs/dbraw/zinc/42/84/52/400428452.db2.gz UPRBOWONAZAKFF-BBRMVZONSA-N 1 0 319.361 3.029 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCSC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000590758750 400429660 /nfs/dbraw/zinc/42/96/60/400429660.db2.gz QNUZMSOKNADBEM-HNNXBMFYSA-N 1 0 322.430 3.321 20 5 DGBDRO COc1cc(N[C@H](C)c2nccn2C)c(Cl)cc1[N+](=O)[O-] ZINC000596542148 400440008 /nfs/dbraw/zinc/44/00/08/400440008.db2.gz IVRHALATEVNMJO-MRVPVSSYSA-N 1 0 310.741 3.163 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596542232 400440262 /nfs/dbraw/zinc/44/02/62/400440262.db2.gz MATOGFIMGWDHRJ-UHFFFAOYSA-N 1 0 317.393 3.070 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570443 400446717 /nfs/dbraw/zinc/44/67/17/400446717.db2.gz LCTGHVBPCVXDFK-CYBMUJFWSA-N 1 0 307.369 3.268 20 5 DGBDRO Cn1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000602571238 400500688 /nfs/dbraw/zinc/50/06/88/400500688.db2.gz GJSKUTZMGZXMRN-UHFFFAOYSA-N 1 0 313.279 3.242 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCN1 ZINC000591275682 400505304 /nfs/dbraw/zinc/50/53/04/400505304.db2.gz XCVSMHBQRRWCTQ-XIRDDKMYSA-N 1 0 317.433 3.038 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000591282663 400506191 /nfs/dbraw/zinc/50/61/91/400506191.db2.gz MESCDSNLONLZJR-GFCCVEGCSA-N 1 0 309.797 3.013 20 5 DGBDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000612194035 400506551 /nfs/dbraw/zinc/50/65/51/400506551.db2.gz NXWRHONMAIYUJH-INIZCTEOSA-N 1 0 312.369 3.251 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CS1 ZINC000602598135 400508328 /nfs/dbraw/zinc/50/83/28/400508328.db2.gz BVNNEYNEYJIPHY-SKDRFNHKSA-N 1 0 300.811 3.274 20 5 DGBDRO CO[C@](C)(C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000602599194 400508333 /nfs/dbraw/zinc/50/83/33/400508333.db2.gz GMPTYQPIEPHVOM-OAHLLOKOSA-N 1 0 312.797 3.195 20 5 DGBDRO COC1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000123092876 400466395 /nfs/dbraw/zinc/46/63/95/400466395.db2.gz FSQSDSKQMKNUDG-UHFFFAOYSA-N 1 0 322.405 3.003 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](C4CCC4)C3)nc2c1 ZINC000591062121 400481121 /nfs/dbraw/zinc/48/11/21/400481121.db2.gz WJHKZDSRGOYOQP-LBPRGKRZSA-N 1 0 301.346 3.358 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+]CC2CCC2)cc1Br ZINC000602526426 400487989 /nfs/dbraw/zinc/48/79/89/400487989.db2.gz DHESAWVLVDXOAQ-UHFFFAOYSA-N 1 0 305.197 3.309 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)c(C(F)(F)F)c1 ZINC000044493489 400493865 /nfs/dbraw/zinc/49/38/65/400493865.db2.gz DLJXRESDQJYHCE-VIFPVBQESA-N 1 0 303.284 3.168 20 5 DGBDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602548988 400494254 /nfs/dbraw/zinc/49/42/54/400494254.db2.gz ARIBNVVYICSGQB-CMPLNLGQSA-N 1 0 321.402 3.500 20 5 DGBDRO C[C@H](CCC1CC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602619047 400513264 /nfs/dbraw/zinc/51/32/64/400513264.db2.gz KOTQMMGKIOFDQP-CYBMUJFWSA-N 1 0 318.421 3.127 20 5 DGBDRO C[C@H](CCc1cccn1C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602557217 400496039 /nfs/dbraw/zinc/49/60/39/400496039.db2.gz NJNPBAHLKOOZGN-CQSZACIVSA-N 1 0 301.390 3.087 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3c(n2)CCCC3)cc1 ZINC000602632453 400517977 /nfs/dbraw/zinc/51/79/77/400517977.db2.gz JHQGAZNLUUKKPV-UHFFFAOYSA-N 1 0 311.385 3.201 20 5 DGBDRO Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000074725790 400530300 /nfs/dbraw/zinc/53/03/00/400530300.db2.gz ZSYCORBBCRMIBJ-AWEZNQCLSA-N 1 0 316.361 3.140 20 5 DGBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000602803010 400579109 /nfs/dbraw/zinc/57/91/09/400579109.db2.gz UPMYXDRLBWILFR-AWEZNQCLSA-N 1 0 322.796 3.494 20 5 DGBDRO CC[NH2+]CCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591577190 400541242 /nfs/dbraw/zinc/54/12/42/400541242.db2.gz YNZUYYRWFJBAMR-SFHVURJKSA-N 1 0 313.401 3.273 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](NCC[NH2+]C2CC2)c2ccccc2)c1 ZINC000591577242 400541579 /nfs/dbraw/zinc/54/15/79/400541579.db2.gz FXRFUBSPBZPAOU-GOSISDBHSA-N 1 0 311.385 3.026 20 5 DGBDRO Cc1c([C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000591582608 400542428 /nfs/dbraw/zinc/54/24/28/400542428.db2.gz NUEUPFZUSBWEGA-KBPBESRZSA-N 1 0 303.406 3.229 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c(F)c1 ZINC000618197925 400547069 /nfs/dbraw/zinc/54/70/69/400547069.db2.gz ZSEZMBFSAUHQEB-CQSZACIVSA-N 1 0 316.332 3.087 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000602714139 400549731 /nfs/dbraw/zinc/54/97/31/400549731.db2.gz UBXBSVAAHZVXQF-ONGXEEELSA-N 1 0 300.280 3.455 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000602804299 400580190 /nfs/dbraw/zinc/58/01/90/400580190.db2.gz FNMDDXRUSFRVFI-UHFFFAOYSA-N 1 0 322.796 3.278 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCC(C)(C)C ZINC000592144218 400612883 /nfs/dbraw/zinc/61/28/83/400612883.db2.gz DPRNCTHSPPHOLY-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCC(C)(C)C ZINC000592144459 400615128 /nfs/dbraw/zinc/61/51/28/400615128.db2.gz IWOKIUFZSQFDIU-GFCCVEGCSA-N 1 0 307.394 3.290 20 5 DGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000140542858 400618559 /nfs/dbraw/zinc/61/85/59/400618559.db2.gz QKYSJSAFAOIOIH-AWEZNQCLSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1c(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000602997825 400624033 /nfs/dbraw/zinc/62/40/33/400624033.db2.gz ROTSBYGXVJPFFQ-XIRDDKMYSA-N 1 0 304.390 3.029 20 5 DGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000141298301 400624729 /nfs/dbraw/zinc/62/47/29/400624729.db2.gz REDSQGXICMCQEC-UHFFFAOYSA-N 1 0 312.369 3.073 20 5 DGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000602813805 400582782 /nfs/dbraw/zinc/58/27/82/400582782.db2.gz ZIMNDYAVNJMCBQ-GFCCVEGCSA-N 1 0 322.434 3.114 20 5 DGBDRO Cn1nc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000612692122 400587318 /nfs/dbraw/zinc/58/73/18/400587318.db2.gz YICGGDDYZBQQOK-SOFGYWHQSA-N 1 0 322.368 3.285 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1=CCCOC1 ZINC000597205026 400587677 /nfs/dbraw/zinc/58/76/77/400587677.db2.gz CBOQCEIWPFSCEX-NTEUORMPSA-N 1 0 302.374 3.277 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597204342 400587724 /nfs/dbraw/zinc/58/77/24/400587724.db2.gz HSIGVHUJZSWQHJ-SFHVURJKSA-N 1 0 318.417 3.455 20 5 DGBDRO C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602839650 400587968 /nfs/dbraw/zinc/58/79/68/400587968.db2.gz IAYBFKWHQWFAIL-BPUTZDHNSA-N 1 0 304.390 3.199 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597231211 400594568 /nfs/dbraw/zinc/59/45/68/400594568.db2.gz OIGSBTRFBSEDIW-GJZGRUSLSA-N 1 0 304.390 3.187 20 5 DGBDRO Cc1noc(C2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000075646112 400600276 /nfs/dbraw/zinc/60/02/76/400600276.db2.gz XPSWGTNQKCFLCN-LLVKDONJSA-N 1 0 316.361 3.227 20 5 DGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000075669575 400603108 /nfs/dbraw/zinc/60/31/08/400603108.db2.gz RXNRAKNAWBJGLM-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO CC[C@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000602923892 400608712 /nfs/dbraw/zinc/60/87/12/400608712.db2.gz KVABTQBYTQDZPY-INIZCTEOSA-N 1 0 320.368 3.154 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(F)c1 ZINC000592134936 400611648 /nfs/dbraw/zinc/61/16/48/400611648.db2.gz VDDVGVWXTSEKDP-XJKSGUPXSA-N 1 0 308.353 3.125 20 5 DGBDRO CC(C)c1ccc(CN(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592424294 400648395 /nfs/dbraw/zinc/64/83/95/400648395.db2.gz BKPFAWPRRVZBKV-UHFFFAOYSA-N 1 0 317.433 3.435 20 5 DGBDRO CC1([NH3+])CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000592431553 400649548 /nfs/dbraw/zinc/64/95/48/400649548.db2.gz GMVVMDLEVRFSGW-UHFFFAOYSA-N 1 0 315.373 3.168 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000592396755 400645062 /nfs/dbraw/zinc/64/50/62/400645062.db2.gz KAIBRMARXLVXIK-DXCKQFNASA-N 1 0 306.406 3.359 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCc1nccs1 ZINC000076892331 400678943 /nfs/dbraw/zinc/67/89/43/400678943.db2.gz YALWGTNDFISFSQ-UHFFFAOYSA-N 1 0 321.402 3.172 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157668476 400718820 /nfs/dbraw/zinc/71/88/20/400718820.db2.gz CFTMPXHAEZZISL-WDEREUQCSA-N 1 0 316.361 3.484 20 5 DGBDRO Cc1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000603840624 400721753 /nfs/dbraw/zinc/72/17/53/400721753.db2.gz XRVAANHWVUDNRH-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO CC(=O)Nc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000603890881 400730198 /nfs/dbraw/zinc/73/01/98/400730198.db2.gz GWTZZWKADUMWQJ-UHFFFAOYSA-N 1 0 313.357 3.151 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000052486040 400733410 /nfs/dbraw/zinc/73/34/10/400733410.db2.gz ONHAZWMGSWZKLH-INIZCTEOSA-N 1 0 303.337 3.449 20 5 DGBDRO C[N@H+](CCSc1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000618981324 400736911 /nfs/dbraw/zinc/73/69/11/400736911.db2.gz UUZRNYJTGNDSPH-UHFFFAOYSA-N 1 0 303.387 3.214 20 5 DGBDRO O=[N+]([O-])c1cccnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000077307442 400706855 /nfs/dbraw/zinc/70/68/55/400706855.db2.gz LAKPPYASOCJVAK-UHFFFAOYSA-N 1 0 318.421 3.082 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000078562690 400808978 /nfs/dbraw/zinc/80/89/78/400808978.db2.gz CJWXMRXRTBSTAM-GFCCVEGCSA-N 1 0 311.813 3.416 20 5 DGBDRO C[C@@H](NCc1ccc(C[NH3+])cc1F)c1cccc([N+](=O)[O-])c1 ZINC000593319671 400818303 /nfs/dbraw/zinc/81/83/03/400818303.db2.gz OIZPLJUPLZXPFE-LLVKDONJSA-N 1 0 303.337 3.043 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCC(C)C ZINC000053365395 400777296 /nfs/dbraw/zinc/77/72/96/400777296.db2.gz KFBPPMLNRLEPLO-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO Cc1ccc([C@@H](CNc2cccnc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000604473053 400778163 /nfs/dbraw/zinc/77/81/63/400778163.db2.gz XHOUAFSAZYMYGX-OAHLLOKOSA-N 1 0 300.362 3.013 20 5 DGBDRO Cc1cc(NCC[N@@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000053580035 400791570 /nfs/dbraw/zinc/79/15/70/400791570.db2.gz PIRKNUPDFZIRNY-UHFFFAOYSA-N 1 0 317.414 3.435 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H](CO)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000358151248 285983857 /nfs/dbraw/zinc/98/38/57/285983857.db2.gz CSWXBCJHIAGTJZ-BLLLJJGKSA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000598645976 400848459 /nfs/dbraw/zinc/84/84/59/400848459.db2.gz BCHKGAVRBUTSIS-VIFPVBQESA-N 1 0 322.258 3.331 20 5 DGBDRO COC(C)(C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174595754 400860362 /nfs/dbraw/zinc/86/03/62/400860362.db2.gz VCDHXKJCPNQHFK-UHFFFAOYSA-N 1 0 321.402 3.233 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000599084355 400955053 /nfs/dbraw/zinc/95/50/53/400955053.db2.gz BBXXLFIXIACJII-DQYPLSBCSA-N 1 0 316.401 3.474 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000599084354 400955294 /nfs/dbraw/zinc/95/52/94/400955294.db2.gz BBXXLFIXIACJII-AFAVFJNCSA-N 1 0 316.401 3.474 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069298 400948307 /nfs/dbraw/zinc/94/83/07/400948307.db2.gz FKLKHOIQPPOHJZ-GJZGRUSLSA-N 1 0 305.422 3.286 20 5 DGBDRO CC[C@]1(CO)CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599071858 400949725 /nfs/dbraw/zinc/94/97/25/400949725.db2.gz UVMPTSKNSJGKDJ-KRWDZBQOSA-N 1 0 315.373 3.132 20 5 DGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599085650 400955475 /nfs/dbraw/zinc/95/54/75/400955475.db2.gz UVKPAMABYOJUJM-LBPRGKRZSA-N 1 0 302.378 3.284 20 5 DGBDRO COc1cc(C[NH2+]C2CC3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000593688953 400892471 /nfs/dbraw/zinc/89/24/71/400892471.db2.gz ZEDXDYCYBHBOCO-UHFFFAOYSA-N 1 0 306.362 3.034 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC2(CCC2)C1 ZINC000593693979 400893011 /nfs/dbraw/zinc/89/30/11/400893011.db2.gz GJDMAIWZJSZHHY-GFCCVEGCSA-N 1 0 317.389 3.234 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000619746269 400897571 /nfs/dbraw/zinc/89/75/71/400897571.db2.gz JIPAFCISEOAWOG-WDEREUQCSA-N 1 0 319.386 3.334 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCCOC1 ZINC000598985667 400920920 /nfs/dbraw/zinc/92/09/20/400920920.db2.gz YCHYRVVTOIMOMH-IPJDOKCGSA-N 1 0 304.390 3.404 20 5 DGBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000598991991 400921638 /nfs/dbraw/zinc/92/16/38/400921638.db2.gz IDBWHPGNAIMOHT-INIZCTEOSA-N 1 0 303.406 3.091 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000598994789 400923139 /nfs/dbraw/zinc/92/31/39/400923139.db2.gz RZTYOCIFIQYHRP-MJSCBBHESA-N 1 0 317.433 3.320 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000598998852 400925743 /nfs/dbraw/zinc/92/57/43/400925743.db2.gz JAUAYYMUIGEQNZ-UABRLCRWSA-N 1 0 315.417 3.215 20 5 DGBDRO O=[N+]([O-])c1c(NCCC[NH+]2CCCC2)ccc2cnccc21 ZINC000599019784 400928059 /nfs/dbraw/zinc/92/80/59/400928059.db2.gz HASBICOGMYLBOO-UHFFFAOYSA-N 1 0 300.362 3.041 20 5 DGBDRO O=[N+]([O-])c1c(NCCC[NH+]2CCCCC2)ccc2cnccc21 ZINC000599021410 400928082 /nfs/dbraw/zinc/92/80/82/400928082.db2.gz YTLJKYQJPGEZJW-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO CCC[NH+]1CCC(Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599020949 400928368 /nfs/dbraw/zinc/92/83/68/400928368.db2.gz QVXYCXKFHCRSPT-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[N@H+](CCNc1ccc2cnccc2c1[N+](=O)[O-])C1CCCC1 ZINC000599037819 400934087 /nfs/dbraw/zinc/93/40/87/400934087.db2.gz FLQDSPDURYDKSS-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO CC(C)CC[NH+]1CCC(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000080248769 400935955 /nfs/dbraw/zinc/93/59/55/400935955.db2.gz ZTUFNTWJJLAOEJ-UHFFFAOYSA-N 1 0 306.410 3.160 20 5 DGBDRO COc1cc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000599164723 400982350 /nfs/dbraw/zinc/98/23/50/400982350.db2.gz KIXGLQVTFZFUEX-LBPRGKRZSA-N 1 0 323.368 3.171 20 5 DGBDRO Cc1cc(NC[C@H](c2ccccc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000080584821 400965047 /nfs/dbraw/zinc/96/50/47/400965047.db2.gz OSZXSAHMOJXEIF-OAHLLOKOSA-N 1 0 300.362 3.013 20 5 DGBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000080594082 400965864 /nfs/dbraw/zinc/96/58/64/400965864.db2.gz RUOHYMYDHYZBNJ-UHFFFAOYSA-N 1 0 321.421 3.418 20 5 DGBDRO Cc1cnc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599128342 400970045 /nfs/dbraw/zinc/97/00/45/400970045.db2.gz XTWMTZJGIZVBNF-AWEZNQCLSA-N 1 0 304.394 3.117 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000080676967 400977809 /nfs/dbraw/zinc/97/78/09/400977809.db2.gz DQRFMIQWQFKTBO-AWEZNQCLSA-N 1 0 320.780 3.358 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCC[NH+]1CCCCC1 ZINC000594490626 401078559 /nfs/dbraw/zinc/07/85/59/401078559.db2.gz NYTMXBPBURBBKS-INIZCTEOSA-N 1 0 303.406 3.048 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000249032778 401080824 /nfs/dbraw/zinc/08/08/24/401080824.db2.gz RMQKTGZNDJOWBR-IAISJRAMSA-N 1 0 315.417 3.187 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000594497418 401081573 /nfs/dbraw/zinc/08/15/73/401081573.db2.gz AGRZYBIMHWCXDI-CVEARBPZSA-N 1 0 316.332 3.044 20 5 DGBDRO CCC(CC)[C@@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000599657292 401104653 /nfs/dbraw/zinc/10/46/53/401104653.db2.gz FAZPSPTZNUTGCL-QGZVFWFLSA-N 1 0 321.421 3.144 20 5 DGBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000599673083 401108034 /nfs/dbraw/zinc/10/80/34/401108034.db2.gz JHPKGCVEEVNAGE-UHFFFAOYSA-N 1 0 300.786 3.231 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594511938 401088987 /nfs/dbraw/zinc/08/89/87/401088987.db2.gz HIYVJYPJOYHSHH-RYUDHWBXSA-N 1 0 308.378 3.223 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000599597131 401089122 /nfs/dbraw/zinc/08/91/22/401089122.db2.gz ULKLHCAPRDDOSN-QGZVFWFLSA-N 1 0 322.405 3.024 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC1CC1 ZINC000594512814 401090855 /nfs/dbraw/zinc/09/08/55/401090855.db2.gz RRCBLGNGDNGKIU-GFCCVEGCSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC1CC1 ZINC000594512815 401091449 /nfs/dbraw/zinc/09/14/49/401091449.db2.gz RRCBLGNGDNGKIU-LBPRGKRZSA-N 1 0 305.378 3.092 20 5 DGBDRO CC1(C)CCCN1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594516771 401094472 /nfs/dbraw/zinc/09/44/72/401094472.db2.gz FFHRCAWYPDMQDK-OAHLLOKOSA-N 1 0 303.406 3.046 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000594520948 401099520 /nfs/dbraw/zinc/09/95/20/401099520.db2.gz RUICPJFBACJFEY-LZLYRXPVSA-N 1 0 315.417 3.189 20 5 DGBDRO C[NH2+]C1(CNC(=O)c2cc3ccccc3c3cccnc23)CCC1 ZINC000629999297 401152610 /nfs/dbraw/zinc/15/26/10/401152610.db2.gz BJZVCAGLAUFSMH-UHFFFAOYSA-N 1 0 319.408 3.260 20 5 DGBDRO COc1ccc(OCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000061784244 401165140 /nfs/dbraw/zinc/16/51/40/401165140.db2.gz RDBBAMUNXBAFAJ-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000616057079 401202046 /nfs/dbraw/zinc/20/20/46/401202046.db2.gz KOUDVFYUKRDMCQ-AWEZNQCLSA-N 1 0 314.389 3.110 20 5 DGBDRO CCCn1nccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594944680 401202783 /nfs/dbraw/zinc/20/27/83/401202783.db2.gz USZLTFAQFBEPDA-UHFFFAOYSA-N 1 0 322.796 3.187 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000594955921 401206864 /nfs/dbraw/zinc/20/68/64/401206864.db2.gz HJPULEPYGSVIEK-DKGMDFAASA-N 1 0 317.433 3.461 20 5 DGBDRO O=[N+]([O-])c1cc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cs1 ZINC000594977976 401216587 /nfs/dbraw/zinc/21/65/87/401216587.db2.gz OVVZBTZQTNKRLC-CYBMUJFWSA-N 1 0 309.435 3.153 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(SCC)CC1 ZINC000594986952 401219146 /nfs/dbraw/zinc/21/91/46/401219146.db2.gz PGFDJYHQUWKMCA-UHFFFAOYSA-N 1 0 310.419 3.369 20 5 DGBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000594996495 401224117 /nfs/dbraw/zinc/22/41/17/401224117.db2.gz CRGMOTXLGIWWQT-MRXNPFEDSA-N 1 0 310.369 3.419 20 5 DGBDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000615939706 401185271 /nfs/dbraw/zinc/18/52/71/401185271.db2.gz UDUVUEBSWBRRBU-XJKSGUPXSA-N 1 0 316.405 3.419 20 5 DGBDRO CC(C)[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000615966464 401188264 /nfs/dbraw/zinc/18/82/64/401188264.db2.gz ANFWEFZLCMEXCS-CZUORRHYSA-N 1 0 316.405 3.419 20 5 DGBDRO C[C@H]([NH2+]CCc1c[nH]c2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC000358352715 286039968 /nfs/dbraw/zinc/03/99/68/286039968.db2.gz NLKCGPPAQQBVKX-LBPRGKRZSA-N 1 0 310.357 3.364 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1nc(C)cs1 ZINC000595008148 401228411 /nfs/dbraw/zinc/22/84/11/401228411.db2.gz RFUWAUGVXCXEGJ-NSHDSACASA-N 1 0 321.402 3.262 20 5 DGBDRO CCCC[C@@H](COC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595008750 401229236 /nfs/dbraw/zinc/22/92/36/401229236.db2.gz QLANZHAJXKIUGA-OLZOCXBDSA-N 1 0 310.394 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](OC)C(C)(C)C ZINC000595015033 401232850 /nfs/dbraw/zinc/23/28/50/401232850.db2.gz WOJZXCCIFHPLGF-XHDPSFHLSA-N 1 0 310.394 3.315 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000595018245 401233908 /nfs/dbraw/zinc/23/39/08/401233908.db2.gz MDCGHJSBLWDCEF-KSYCFECVSA-N 1 0 320.389 3.212 20 5 DGBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090109988 401258395 /nfs/dbraw/zinc/25/83/95/401258395.db2.gz JKQDLQDMGNNWDC-UHFFFAOYSA-N 1 0 303.387 3.311 20 5 DGBDRO Cc1cccc(NCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000358411473 286054571 /nfs/dbraw/zinc/05/45/71/286054571.db2.gz YUXLFVGFEVRPDP-ZDUSSCGKSA-N 1 0 300.362 3.061 20 5 DGBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000358666447 286119403 /nfs/dbraw/zinc/11/94/03/286119403.db2.gz PJUOOFPSDHXVGC-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCC(C)CC1 ZINC000358759975 286146086 /nfs/dbraw/zinc/14/60/86/286146086.db2.gz QSZQTABDHAVHNB-HNNXBMFYSA-N 1 0 306.410 3.158 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccncc1 ZINC000360894361 286549534 /nfs/dbraw/zinc/54/95/34/286549534.db2.gz UBLJIWVTCXJBAM-AWEZNQCLSA-N 1 0 301.346 3.239 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[NH+]1CCC(C)CC1 ZINC000360966491 286564606 /nfs/dbraw/zinc/56/46/06/286564606.db2.gz PXQGYBXXTHTPCO-UHFFFAOYSA-N 1 0 323.441 3.044 20 5 DGBDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000361652994 286707917 /nfs/dbraw/zinc/70/79/17/286707917.db2.gz HKUQKNQUJPBPPT-UKRRQHHQSA-N 1 0 314.389 3.328 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000421890617 286918818 /nfs/dbraw/zinc/91/88/18/286918818.db2.gz YBGRIBOABYRQJM-XJKSGUPXSA-N 1 0 322.405 3.220 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000364924928 287076689 /nfs/dbraw/zinc/07/66/89/287076689.db2.gz XKBDWBPRHBELAX-UHFFFAOYSA-N 1 0 306.410 3.265 20 5 DGBDRO Cc1c(C[N@@H+]2CCSC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000186847534 165064053 /nfs/dbraw/zinc/06/40/53/165064053.db2.gz BWRDDDGECVZPFN-UHFFFAOYSA-N 1 0 322.430 3.001 20 5 DGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000187578834 165095835 /nfs/dbraw/zinc/09/58/35/165095835.db2.gz KXWZXCPXHVEPBD-AAEUAGOBSA-N 1 0 308.378 3.232 20 5 DGBDRO C[N@H+](CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000228844111 165391039 /nfs/dbraw/zinc/39/10/39/165391039.db2.gz ZZNSHWICLHXSAK-UHFFFAOYSA-N 1 0 304.177 3.408 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000266518992 287152546 /nfs/dbraw/zinc/15/25/46/287152546.db2.gz HSRBNIFZMOBBNS-LSDHHAIUSA-N 1 0 303.406 3.216 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000365845012 287179520 /nfs/dbraw/zinc/17/95/20/287179520.db2.gz BIAGXZVSFMTEGB-OAHLLOKOSA-N 1 0 314.389 3.362 20 5 DGBDRO C[C@H]1CCCC[C@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366026373 287201721 /nfs/dbraw/zinc/20/17/21/287201721.db2.gz UNFWGXCMZJSDOB-KBPBESRZSA-N 1 0 306.410 3.255 20 5 DGBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000269282482 432158064 /nfs/dbraw/zinc/15/80/64/432158064.db2.gz RECPOMCUFDYEQW-QGZVFWFLSA-N 1 0 307.397 3.101 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@H](C)C1 ZINC000190452109 432159127 /nfs/dbraw/zinc/15/91/27/432159127.db2.gz LTKQXFFHQQBJCG-GFCCVEGCSA-N 1 0 310.419 3.178 20 5 DGBDRO CC[N@@H+](Cc1cccs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269698156 432198649 /nfs/dbraw/zinc/19/86/49/432198649.db2.gz KVYFEXOKIOTXLD-OAHLLOKOSA-N 1 0 306.387 3.212 20 5 DGBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000190897393 432198842 /nfs/dbraw/zinc/19/88/42/432198842.db2.gz HLWJLLUVXRKZHZ-UHFFFAOYSA-N 1 0 322.409 3.099 20 5 DGBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269655556 432192781 /nfs/dbraw/zinc/19/27/81/432192781.db2.gz OLIRQIWBRUDHLV-OAHLLOKOSA-N 1 0 306.387 3.130 20 5 DGBDRO C[C@@H](C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000269653257 432192812 /nfs/dbraw/zinc/19/28/12/432192812.db2.gz NJTBFQHLKUADJS-KBXCAEBGSA-N 1 0 314.385 3.364 20 5 DGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc2ccccc21 ZINC000130998872 196131021 /nfs/dbraw/zinc/13/10/21/196131021.db2.gz JXPXNPGBYUQIHE-CYBMUJFWSA-N 1 0 310.357 3.295 20 5 DGBDRO O=[N+]([O-])c1cccc(CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172585118 432222880 /nfs/dbraw/zinc/22/28/80/432222880.db2.gz ARLPIADGWOFTKK-UHFFFAOYSA-N 1 0 303.406 3.045 20 5 DGBDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000134498403 196396721 /nfs/dbraw/zinc/39/67/21/196396721.db2.gz AQNAZTPZRNCCTB-GOSISDBHSA-N 1 0 314.385 3.368 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000301717073 229850964 /nfs/dbraw/zinc/85/09/64/229850964.db2.gz KQMAVHNCUCYLGA-HUUCEWRRSA-N 1 0 321.421 3.205 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000413030413 230115412 /nfs/dbraw/zinc/11/54/12/230115412.db2.gz VGWYNWYUTAUUGS-MCIONIFRSA-N 1 0 319.405 3.411 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ncc([N+](=O)[O-])cc1F ZINC000413058936 230122456 /nfs/dbraw/zinc/12/24/56/230122456.db2.gz IZUSXORVVSBHHH-GFCCVEGCSA-N 1 0 310.373 3.195 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000413055452 230122873 /nfs/dbraw/zinc/12/28/73/230122873.db2.gz RGYWWLGEWYNXQH-AWEZNQCLSA-N 1 0 310.373 3.051 20 5 DGBDRO Cc1cc(N(C)C[C@H]2CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302145341 230123108 /nfs/dbraw/zinc/12/31/08/230123108.db2.gz GKJBKZFHDROYDS-CYBMUJFWSA-N 1 0 315.373 3.314 20 5 DGBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)[N@H+](C)Cc1ccccc1 ZINC000413149303 230139952 /nfs/dbraw/zinc/13/99/52/230139952.db2.gz UOZZRDDDISIWFE-GFCCVEGCSA-N 1 0 318.352 3.061 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424321201 533685639 /nfs/dbraw/zinc/68/56/39/533685639.db2.gz HCIHIBDIJPDCFD-XFBWCDHKSA-N 1 0 317.389 3.090 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000194807276 263821032 /nfs/dbraw/zinc/82/10/32/263821032.db2.gz NDEXYIOPEMANSP-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000274247217 263877631 /nfs/dbraw/zinc/87/76/31/263877631.db2.gz IYBOYTKVDBLTQI-INIZCTEOSA-N 1 0 314.341 3.217 20 5 DGBDRO Cc1ccc(CN(CCC[NH3+])c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000346393306 264024831 /nfs/dbraw/zinc/02/48/31/264024831.db2.gz QHLQIPWJQNJLPU-UHFFFAOYSA-N 1 0 317.364 3.398 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCC1 ZINC000346873209 264113056 /nfs/dbraw/zinc/11/30/56/264113056.db2.gz ZIJVZDBLUDIKOQ-ZDUSSCGKSA-N 1 0 324.446 3.218 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)[NH2+]1 ZINC000347051877 264147797 /nfs/dbraw/zinc/14/77/97/264147797.db2.gz RSAKPPROFMPSQB-CHWSQXEVSA-N 1 0 315.373 3.037 20 5 DGBDRO [NH3+]C[C@@H]1CCCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347075627 264153006 /nfs/dbraw/zinc/15/30/06/264153006.db2.gz ULXNSZYPFXXEPV-HNNXBMFYSA-N 1 0 315.373 3.168 20 5 DGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000347308000 264194547 /nfs/dbraw/zinc/19/45/47/264194547.db2.gz JYWJNJRXIZOEFG-WFASDCNBSA-N 1 0 323.824 3.307 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000347331542 264197888 /nfs/dbraw/zinc/19/78/88/264197888.db2.gz FMYWHBFMJKXINZ-CRPZLVSXSA-N 1 0 302.374 3.111 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000347690320 264268176 /nfs/dbraw/zinc/26/81/76/264268176.db2.gz YHYXNHIVOUXULD-OAHLLOKOSA-N 1 0 314.389 3.132 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnn2)c1 ZINC000348065287 264333386 /nfs/dbraw/zinc/33/33/86/264333386.db2.gz BYLJUCTWVPQMFC-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnn2)c1 ZINC000348069925 264334224 /nfs/dbraw/zinc/33/42/24/264334224.db2.gz HDJFMMWELJMTJZ-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@@H](CO)C1)CCC2 ZINC000348640842 264434403 /nfs/dbraw/zinc/43/44/03/264434403.db2.gz JZCBCZXAWUAIOX-HBUWYVDXSA-N 1 0 318.417 3.361 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cccs2)n1 ZINC000351496225 264710320 /nfs/dbraw/zinc/71/03/20/264710320.db2.gz SQMPTZHCQXXMRS-KBPBESRZSA-N 1 0 320.418 3.169 20 5 DGBDRO CC[NH+]1CCC(N(C)c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352357697 265014333 /nfs/dbraw/zinc/01/43/33/265014333.db2.gz STJFCODUYUXTFY-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO CCOCCO[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000352771645 265159558 /nfs/dbraw/zinc/15/95/58/265159558.db2.gz ZMCLYUMNOXOCSN-GDBMZVCRSA-N 1 0 322.405 3.092 20 5 DGBDRO CCCN(CC[NH+]1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000353140332 265314264 /nfs/dbraw/zinc/31/42/64/265314264.db2.gz BCDXIQYATSUBIC-UHFFFAOYSA-N 1 0 305.422 3.293 20 5 DGBDRO COc1ccc(C[NH2+]C(C)(C)c2ccc(C)nc2)cc1[N+](=O)[O-] ZINC000353147958 265318673 /nfs/dbraw/zinc/31/86/73/265318673.db2.gz LUYAEKIGICATAX-UHFFFAOYSA-N 1 0 315.373 3.332 20 5 DGBDRO COc1cccc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000355333891 266041467 /nfs/dbraw/zinc/04/14/67/266041467.db2.gz RBBMHMGAQHRXHG-QWHCGFSZSA-N 1 0 307.394 3.136 20 5 DGBDRO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000355491185 266092477 /nfs/dbraw/zinc/09/24/77/266092477.db2.gz MNSOZATUYYDVHJ-LBPRGKRZSA-N 1 0 323.393 3.052 20 5 DGBDRO C[NH+](C)Cc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000355596845 266127827 /nfs/dbraw/zinc/12/78/27/266127827.db2.gz LHYUOXNUBAYFQA-UHFFFAOYSA-N 1 0 324.340 3.373 20 5 DGBDRO Cc1ccc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000355863439 266212118 /nfs/dbraw/zinc/21/21/18/266212118.db2.gz KYYVTQFVVISUHQ-UHFFFAOYSA-N 1 0 321.421 3.094 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(n2ccnc2)CC1 ZINC000182832906 432233620 /nfs/dbraw/zinc/23/36/20/432233620.db2.gz DAQDUHVQCOQOCH-CQSZACIVSA-N 1 0 314.389 3.498 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000616059422 425094104 /nfs/dbraw/zinc/09/41/04/425094104.db2.gz XXKYMCQULAZCSQ-AWEZNQCLSA-N 1 0 312.373 3.039 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191293024 432245422 /nfs/dbraw/zinc/24/54/22/432245422.db2.gz CRDQYQPQMQMFAS-RISCZKNCSA-N 1 0 305.378 3.090 20 5 DGBDRO Cc1cc(NCC[N@@H+](C)C2CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359867270 271002818 /nfs/dbraw/zinc/00/28/18/271002818.db2.gz CDPKYRADZYTRDK-UHFFFAOYSA-N 1 0 317.311 3.428 20 5 DGBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000183058348 432254077 /nfs/dbraw/zinc/25/40/77/432254077.db2.gz KGDPCRUSECHLJH-DGCLKSJQSA-N 1 0 307.394 3.256 20 5 DGBDRO CC(C)([NH2+]C[C@@H](O)c1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000292133273 273506592 /nfs/dbraw/zinc/50/65/92/273506592.db2.gz LLJILURIIZMCNB-MRXNPFEDSA-N 1 0 318.348 3.292 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCCn2cccn2)c2cc([N+](=O)[O-])ccc21 ZINC000279215775 273587333 /nfs/dbraw/zinc/58/73/33/273587333.db2.gz YPHRJZGMCRESID-MRXNPFEDSA-N 1 0 314.389 3.194 20 5 DGBDRO CCC[C@@](C)(O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433174718 273619682 /nfs/dbraw/zinc/61/96/82/273619682.db2.gz KDTOJDYPSVVLDC-DOTOQJQBSA-N 1 0 306.406 3.458 20 5 DGBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301874343 273789835 /nfs/dbraw/zinc/78/98/35/273789835.db2.gz LRNFBWZJFXVRSC-UHFFFAOYSA-N 1 0 314.389 3.409 20 5 DGBDRO COC[C@H]1CCCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494634747 274051946 /nfs/dbraw/zinc/05/19/46/274051946.db2.gz IHHXELCZXNCZLW-LBPRGKRZSA-N 1 0 312.797 3.497 20 5 DGBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000279645005 274078341 /nfs/dbraw/zinc/07/83/41/274078341.db2.gz BDRFAEUKBLEPQX-DYVFJYSZSA-N 1 0 300.358 3.461 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000192646494 274094644 /nfs/dbraw/zinc/09/46/44/274094644.db2.gz OBWHFMUBQSHWTP-MRXNPFEDSA-N 1 0 313.357 3.166 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000278908041 274262177 /nfs/dbraw/zinc/26/21/77/274262177.db2.gz ZWMQKXWQUJZBFF-BZNIZROVSA-N 1 0 300.362 3.057 20 5 DGBDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330812048 274317320 /nfs/dbraw/zinc/31/73/20/274317320.db2.gz AZHHIKYZQXLIKX-RISCZKNCSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000287391821 274379335 /nfs/dbraw/zinc/37/93/35/274379335.db2.gz ISJGZHICMHCGLM-SUYBPPKGSA-N 1 0 304.390 3.234 20 5 DGBDRO Cc1cc(N[C@H]2CCC[NH2+]C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420182731 274719863 /nfs/dbraw/zinc/71/98/63/274719863.db2.gz KFMMQTIREWHTEF-VIFPVBQESA-N 1 0 303.284 3.086 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)c1ccccc1)CCC2 ZINC000192870737 275038421 /nfs/dbraw/zinc/03/84/21/275038421.db2.gz APMKNSDSZZFQHX-QZTJIDSGSA-N 1 0 312.369 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(NCC34CCC[NH+]3CCC4)c2c1 ZINC000413265596 275038869 /nfs/dbraw/zinc/03/88/69/275038869.db2.gz KXVKXTZWBWWCGK-UHFFFAOYSA-N 1 0 312.373 3.183 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000449579523 275040141 /nfs/dbraw/zinc/04/01/41/275040141.db2.gz GYBBEBUXTFGGPT-GOEBONIOSA-N 1 0 318.417 3.058 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c2cc([N+](=O)[O-])ccc21 ZINC000433063286 275869267 /nfs/dbraw/zinc/86/92/67/275869267.db2.gz XKHVQSAXPIIDIJ-IEAZIUSSSA-N 1 0 316.401 3.474 20 5 DGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000274563474 275951300 /nfs/dbraw/zinc/95/13/00/275951300.db2.gz ABHDLFRSUXAIKX-LBPRGKRZSA-N 1 0 307.394 3.317 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CC2(CO)CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433228714 276148295 /nfs/dbraw/zinc/14/82/95/276148295.db2.gz AJGUTJONSNMYND-INIZCTEOSA-N 1 0 318.417 3.460 20 5 DGBDRO CCN1CCCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447532247 276157689 /nfs/dbraw/zinc/15/76/89/276157689.db2.gz VFSOZQJNNGINQB-AEFFLSMTSA-N 1 0 317.433 3.436 20 5 DGBDRO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493103305 276169866 /nfs/dbraw/zinc/16/98/66/276169866.db2.gz FNHMEOVCWXBUKR-GFCCVEGCSA-N 1 0 311.813 3.164 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432315175 276871872 /nfs/dbraw/zinc/87/18/72/276871872.db2.gz YBVXNNKMJIWUTC-STQMWFEESA-N 1 0 314.389 3.428 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000432333666 277069795 /nfs/dbraw/zinc/06/97/95/277069795.db2.gz CWYYWZZKGMMLFE-YPMHNXCESA-N 1 0 309.797 3.169 20 5 DGBDRO CSC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000433091750 278125558 /nfs/dbraw/zinc/12/55/58/278125558.db2.gz OUZCPIKKJPHPOX-OLZOCXBDSA-N 1 0 324.450 3.150 20 5 DGBDRO C[C@H](CC[S@](C)=O)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313966 278175543 /nfs/dbraw/zinc/17/55/43/278175543.db2.gz XPELOTCLUUBHSE-KGFDFFDMSA-N 1 0 324.446 3.109 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)c1ccccc1 ZINC000449155581 278220742 /nfs/dbraw/zinc/22/07/42/278220742.db2.gz BIINTWQEHOHBFX-RHSMWYFYSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)C1CCCC1 ZINC000415064728 278236911 /nfs/dbraw/zinc/23/69/11/278236911.db2.gz LHVDYNNMDCYNTE-XJKSGUPXSA-N 1 0 305.422 3.023 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000337532958 278271897 /nfs/dbraw/zinc/27/18/97/278271897.db2.gz DWZPLBHVPUNEQJ-BIMULSAOSA-N 1 0 300.305 3.406 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000467858210 278278604 /nfs/dbraw/zinc/27/86/04/278278604.db2.gz GTCPBHALIHQPFF-DDUYRFODSA-N 1 0 304.390 3.449 20 5 DGBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1C ZINC000176022389 278522887 /nfs/dbraw/zinc/52/28/87/278522887.db2.gz SLXXLNZITLDXIM-HSMVNMDESA-N 1 0 320.389 3.376 20 5 DGBDRO CCCC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447583951 278664410 /nfs/dbraw/zinc/66/44/10/278664410.db2.gz CWGKFFGYOCHFOL-UONOGXRCSA-N 1 0 306.410 3.445 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447534886 279120120 /nfs/dbraw/zinc/12/01/20/279120120.db2.gz AQWJZQDFSMKWOF-CXAGYDPISA-N 1 0 305.422 3.292 20 5 DGBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192825298 279215346 /nfs/dbraw/zinc/21/53/46/279215346.db2.gz PJEUFGFQRPQLAB-APPDUMDISA-N 1 0 314.389 3.365 20 5 DGBDRO C[C@H](C[NH+]1CCCCC1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450249804 279303775 /nfs/dbraw/zinc/30/37/75/279303775.db2.gz CTRGHXIGAVVRBX-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO COCC[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113332165 431341611 /nfs/dbraw/zinc/34/16/11/431341611.db2.gz NCYGRCZCMFKBJP-NSHDSACASA-N 1 0 321.402 3.233 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C(C)C)C1CCCC1 ZINC000072600841 431342686 /nfs/dbraw/zinc/34/26/86/431342686.db2.gz FBCXNAFOEOOZBX-UHFFFAOYSA-N 1 0 319.405 3.495 20 5 DGBDRO CC(C)CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000074238035 431406932 /nfs/dbraw/zinc/40/69/32/431406932.db2.gz WDGMQFPKGZCYGZ-UHFFFAOYSA-N 1 0 319.405 3.068 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000075020947 431452185 /nfs/dbraw/zinc/45/21/85/431452185.db2.gz DWUCSOCKMDBAMK-TXEJJXNPSA-N 1 0 316.361 3.408 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000075997304 431510581 /nfs/dbraw/zinc/51/05/81/431510581.db2.gz RWGAEGKAWRASTI-UHFFFAOYSA-N 1 0 318.295 3.248 20 5 DGBDRO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000117349777 431560864 /nfs/dbraw/zinc/56/08/64/431560864.db2.gz IOIVLCMORLSZBP-INIZCTEOSA-N 1 0 319.405 3.068 20 5 DGBDRO CCOc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000077220979 431575120 /nfs/dbraw/zinc/57/51/20/431575120.db2.gz DERBATFBLZDHPT-UHFFFAOYSA-N 1 0 316.357 3.292 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCC(F)(F)F)n1 ZINC000442864090 280377193 /nfs/dbraw/zinc/37/71/93/280377193.db2.gz YNEFBNPDZVJIED-WDEREUQCSA-N 1 0 320.315 3.207 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC(C)(C)C1 ZINC000119251066 431666305 /nfs/dbraw/zinc/66/63/05/431666305.db2.gz JDUOLHSWHPRZQP-HIFRSBDPSA-N 1 0 306.406 3.463 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026349238 431672576 /nfs/dbraw/zinc/67/25/76/431672576.db2.gz IFOXGRFWWBLHEL-UHFFFAOYSA-N 1 0 313.357 3.055 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000119218735 431663005 /nfs/dbraw/zinc/66/30/05/431663005.db2.gz CUVIRFNGNCBVEG-MQYQWHSLSA-N 1 0 319.405 3.336 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000080748724 431775031 /nfs/dbraw/zinc/77/50/31/431775031.db2.gz MKHNTJNYISLDKU-CQSZACIVSA-N 1 0 319.405 3.210 20 5 DGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC1 ZINC000080977417 431780606 /nfs/dbraw/zinc/78/06/06/431780606.db2.gz SSUKUSKUAPJDEZ-UHFFFAOYSA-N 1 0 315.320 3.092 20 5 DGBDRO CCC[C@H]([NH2+]CCC(=O)N[C@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000121447701 431786712 /nfs/dbraw/zinc/78/67/12/431786712.db2.gz RRGCPFAUXNANHJ-CJNGLKHVSA-N 1 0 321.421 3.330 20 5 DGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000123174984 431857673 /nfs/dbraw/zinc/85/76/73/431857673.db2.gz CJKFFGLFRLZTJI-CQSZACIVSA-N 1 0 321.421 3.144 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC2(CCC2)C1 ZINC000123237271 431859313 /nfs/dbraw/zinc/85/93/13/431859313.db2.gz YDZPRWJWINJGGO-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123763587 431874291 /nfs/dbraw/zinc/87/42/91/431874291.db2.gz HQVSWFSBXUTKHH-FZMZJTMJSA-N 1 0 312.797 3.374 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000044502843 431874327 /nfs/dbraw/zinc/87/43/27/431874327.db2.gz JIBZMCIKKHWTLT-VIFPVBQESA-N 1 0 303.284 3.025 20 5 DGBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089908088 431884587 /nfs/dbraw/zinc/88/45/87/431884587.db2.gz YHSDTKYOJNHRLS-NWDGAFQWSA-N 1 0 301.346 3.480 20 5 DGBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCSC1 ZINC000089935686 431886172 /nfs/dbraw/zinc/88/61/72/431886172.db2.gz SLEPKBJYJNSHLT-CQSZACIVSA-N 1 0 319.386 3.187 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](COC)C2CC2)cc1[N+](=O)[O-] ZINC000090717087 431894518 /nfs/dbraw/zinc/89/45/18/431894518.db2.gz KSSSXBMUZBANRQ-RISCZKNCSA-N 1 0 308.378 3.069 20 5 DGBDRO COC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090717083 431895044 /nfs/dbraw/zinc/89/50/44/431895044.db2.gz ZANUNPBNSLYXHR-PVAVHDDUSA-N 1 0 318.417 3.321 20 5 DGBDRO CC(C)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000046512270 431898009 /nfs/dbraw/zinc/89/80/09/431898009.db2.gz XLZWAFRZHGTXNY-UHFFFAOYSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000124840874 431906120 /nfs/dbraw/zinc/90/61/20/431906120.db2.gz CRPIMRFOXSEQFP-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000054613516 431972610 /nfs/dbraw/zinc/97/26/10/431972610.db2.gz GNHJWJZSHUXLTA-UHFFFAOYSA-N 1 0 305.300 3.366 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051124674 431950059 /nfs/dbraw/zinc/95/00/59/431950059.db2.gz YBSSASZVQUPOQZ-ZDUSSCGKSA-N 1 0 316.361 3.409 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245531131 281021182 /nfs/dbraw/zinc/02/11/82/281021182.db2.gz SZFOKUSJQROTGM-HOTGVXAUSA-N 1 0 317.433 3.382 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccccc1CO ZINC000151792228 432276738 /nfs/dbraw/zinc/27/67/38/432276738.db2.gz ZIGAAQDBXGPXDX-CYBMUJFWSA-N 1 0 300.358 3.246 20 5 DGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000191605792 432282455 /nfs/dbraw/zinc/28/24/55/432282455.db2.gz LCLVDSKYAFSFTL-YOEHRIQHSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CN1CCCCC1 ZINC000151863039 432283947 /nfs/dbraw/zinc/28/39/47/432283947.db2.gz NVRIYCFEOGXOGW-CABCVRRESA-N 1 0 305.422 3.428 20 5 DGBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000191620037 432284016 /nfs/dbraw/zinc/28/40/16/432284016.db2.gz ZITBAVWCDXUTIE-UHFFFAOYSA-N 1 0 322.409 3.099 20 5 DGBDRO COc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000271101854 432329958 /nfs/dbraw/zinc/32/99/58/432329958.db2.gz PQIZWURRPXIXER-GHMZBOCLSA-N 1 0 311.357 3.027 20 5 DGBDRO COc1ccc(C[N@H+](C)C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000183921396 432335148 /nfs/dbraw/zinc/33/51/48/432335148.db2.gz OVPYLWYDJVVZRT-NSHDSACASA-N 1 0 321.402 3.295 20 5 DGBDRO C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192169498 432340563 /nfs/dbraw/zinc/34/05/63/432340563.db2.gz AILPEYPVRDOIEU-ZDUSSCGKSA-N 1 0 310.419 3.191 20 5 DGBDRO COC[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000271166686 432343137 /nfs/dbraw/zinc/34/31/37/432343137.db2.gz HTWCKKBDDNVNKI-ZDUSSCGKSA-N 1 0 316.357 3.323 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCCO ZINC000271168853 432343371 /nfs/dbraw/zinc/34/33/71/432343371.db2.gz UAFNEHHIENWXPD-OLZOCXBDSA-N 1 0 312.435 3.216 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C)CC1 ZINC000271176566 432344904 /nfs/dbraw/zinc/34/49/04/432344904.db2.gz VBNNFHXCALVBIJ-ZDUSSCGKSA-N 1 0 323.462 3.149 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000271184037 432345066 /nfs/dbraw/zinc/34/50/66/432345066.db2.gz YZQFIGBFHUHNFN-DBWMJRBXSA-N 1 0 315.417 3.168 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000248616155 432306499 /nfs/dbraw/zinc/30/64/99/432306499.db2.gz ZAAZJANGQHACCN-LAQFHYBYSA-N 1 0 319.405 3.256 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccc2)CC2CCC2)c1 ZINC000174833412 432372964 /nfs/dbraw/zinc/37/29/64/432372964.db2.gz LJKDCJRXPZHLCX-UHFFFAOYSA-N 1 0 314.389 3.094 20 5 DGBDRO Cc1cccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1C ZINC000174873332 432374791 /nfs/dbraw/zinc/37/47/91/432374791.db2.gz CCGHBUZQLBDZIE-QGZVFWFLSA-N 1 0 314.389 3.245 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccoc2)C2CCCCC2)c1 ZINC000174874145 432375483 /nfs/dbraw/zinc/37/54/83/432375483.db2.gz STVOSBUSIUVQEG-UHFFFAOYSA-N 1 0 318.377 3.219 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000192486465 432380598 /nfs/dbraw/zinc/38/05/98/432380598.db2.gz JWHPETSYUBTYNA-DGCLKSJQSA-N 1 0 318.402 3.126 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CO)CCC3)o2)cc1 ZINC000184362536 432382767 /nfs/dbraw/zinc/38/27/67/432382767.db2.gz KKLGYYMDTMVRMK-UHFFFAOYSA-N 1 0 316.357 3.107 20 5 DGBDRO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192525929 432383524 /nfs/dbraw/zinc/38/35/24/432383524.db2.gz CRQVOYWZNGTJOG-WDEREUQCSA-N 1 0 310.423 3.116 20 5 DGBDRO NC(=O)N[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000271407453 432389160 /nfs/dbraw/zinc/38/91/60/432389160.db2.gz WZIRRVKLTUBSML-MRXNPFEDSA-N 1 0 319.408 3.236 20 5 DGBDRO CC1(C)[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCO[C@H]21 ZINC000253354951 432390507 /nfs/dbraw/zinc/39/05/07/432390507.db2.gz QZJHRAUTEFFJOB-RKTXRCNFSA-N 1 0 316.401 3.375 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000271411383 432391708 /nfs/dbraw/zinc/39/17/08/432391708.db2.gz ABNHKYAGQNWHIG-BLLLJJGKSA-N 1 0 318.348 3.427 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000184442280 432392391 /nfs/dbraw/zinc/39/23/91/432392391.db2.gz ULFIHRZVVMGDIP-UONOGXRCSA-N 1 0 321.402 3.134 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cnn(CC)c2)cc1[N+](=O)[O-] ZINC000271440690 432396257 /nfs/dbraw/zinc/39/62/57/432396257.db2.gz DDXHEKDNELCMDN-GFCCVEGCSA-N 1 0 318.377 3.061 20 5 DGBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000250104733 432364109 /nfs/dbraw/zinc/36/41/09/432364109.db2.gz RXDQWTWBLGACGJ-JSQNDZKTSA-N 1 0 318.417 3.055 20 5 DGBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1O ZINC000271275984 432367200 /nfs/dbraw/zinc/36/72/00/432367200.db2.gz KUWVLCCKIDJMMN-MLGOLLRUSA-N 1 0 316.357 3.058 20 5 DGBDRO CCC(CC)(CC)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000174800753 432371129 /nfs/dbraw/zinc/37/11/29/432371129.db2.gz CINYXBCOPHMPLX-UHFFFAOYSA-N 1 0 319.405 3.042 20 5 DGBDRO CC[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000193024412 432440295 /nfs/dbraw/zinc/44/02/95/432440295.db2.gz BWKSWRKWZCPSBV-SJORKVTESA-N 1 0 322.405 3.221 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO[C@@H]2CCCCO2)C2CC2)cc1 ZINC000193080420 432446751 /nfs/dbraw/zinc/44/67/51/432446751.db2.gz CRCAUJLTJBSKJW-QGZVFWFLSA-N 1 0 320.389 3.102 20 5 DGBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153945484 432457630 /nfs/dbraw/zinc/45/76/30/432457630.db2.gz SOUSYTBQIWGLGS-NSHDSACASA-N 1 0 312.801 3.033 20 5 DGBDRO [NH3+]C1(c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)CCCC1 ZINC000261889533 432458021 /nfs/dbraw/zinc/45/80/21/432458021.db2.gz XGWGOBWVVAIVKA-GQCTYLIASA-N 1 0 318.308 3.015 20 5 DGBDRO CC[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000271495400 432408525 /nfs/dbraw/zinc/40/85/25/432408525.db2.gz LBVZDKSKRNOZFD-CABCVRRESA-N 1 0 300.362 3.436 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000271512899 432412026 /nfs/dbraw/zinc/41/20/26/432412026.db2.gz NIKSNNCCIKJCDP-OBJOEFQTSA-N 1 0 308.378 3.212 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2cc(N)ccc2[N+](=O)[O-])c1 ZINC000192782850 432413562 /nfs/dbraw/zinc/41/35/62/432413562.db2.gz CWSQSXXOXDGHMF-UHFFFAOYSA-N 1 0 314.389 3.241 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192808006 432416940 /nfs/dbraw/zinc/41/69/40/432416940.db2.gz LLPBYZMGILTPLL-CXAGYDPISA-N 1 0 305.422 3.292 20 5 DGBDRO CC(C)(C)[S@@](=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192874742 432424478 /nfs/dbraw/zinc/42/44/78/432424478.db2.gz ABMNDSXQMHZOER-NYHFZMIOSA-N 1 0 324.446 3.109 20 5 DGBDRO CCCC[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153596462 432424910 /nfs/dbraw/zinc/42/49/10/432424910.db2.gz YAJWXUKOWJISKK-UHFFFAOYSA-N 1 0 312.801 3.320 20 5 DGBDRO CCc1nc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cs1 ZINC000184726626 432425960 /nfs/dbraw/zinc/42/59/60/432425960.db2.gz BFDZQFZSPUXRON-NSHDSACASA-N 1 0 321.402 3.343 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)cccc1[N+](=O)[O-] ZINC000154098157 432471243 /nfs/dbraw/zinc/47/12/43/432471243.db2.gz XRVQBNZOROHZEN-XJKSGUPXSA-N 1 0 317.389 3.450 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cscn2)cc1[N+](=O)[O-] ZINC000154284631 432487878 /nfs/dbraw/zinc/48/78/78/432487878.db2.gz BQQINRUTRJXCEH-NSHDSACASA-N 1 0 321.402 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nccn2C[C@@H](O)Cc2ccccc2)cc1 ZINC000193692547 432491625 /nfs/dbraw/zinc/49/16/25/432491625.db2.gz SMPCZCOAWHIPFK-KRWDZBQOSA-N 1 0 323.352 3.062 20 5 DGBDRO COc1cccc2c1CC[N@H+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000193722003 432493478 /nfs/dbraw/zinc/49/34/78/432493478.db2.gz IWDASMQGLGCVKM-UHFFFAOYSA-N 1 0 318.398 3.266 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000176213025 432501499 /nfs/dbraw/zinc/50/14/99/432501499.db2.gz SFTSJKIQPRIUSQ-CQSZACIVSA-N 1 0 320.780 3.282 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000262894246 432507224 /nfs/dbraw/zinc/50/72/24/432507224.db2.gz XDFYNFHVQOSCRS-SCLBCKFNSA-N 1 0 319.408 3.116 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000193880886 432507259 /nfs/dbraw/zinc/50/72/59/432507259.db2.gz XZCFHWGMMNHNGS-SQWLQELKSA-N 1 0 320.389 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CCO)CCCC2)c(Cl)c1 ZINC000273108778 432551592 /nfs/dbraw/zinc/55/15/92/432551592.db2.gz PXTNIQWMFNDNFT-UHFFFAOYSA-N 1 0 312.797 3.281 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2nccs2)c(Cl)c1 ZINC000273117898 432553046 /nfs/dbraw/zinc/55/30/46/432553046.db2.gz RARKFNYMRCXJKV-UHFFFAOYSA-N 1 0 311.794 3.427 20 5 DGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000263640846 432560375 /nfs/dbraw/zinc/56/03/75/432560375.db2.gz BEWPONAVZISPRO-CYBMUJFWSA-N 1 0 315.333 3.077 20 5 DGBDRO Cc1ccc([C@H](CNc2ncccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000263667798 432563986 /nfs/dbraw/zinc/56/39/86/432563986.db2.gz FRQUNNLETLKBSA-AWEZNQCLSA-N 1 0 316.361 3.140 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCCOC(F)F)cc1[N+](=O)[O-] ZINC000194031129 432518349 /nfs/dbraw/zinc/51/83/49/432518349.db2.gz YVWHQFDXEQNKCX-JTQLQIEISA-N 1 0 318.320 3.273 20 5 DGBDRO C[C@H](CCn1cccn1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272530640 432518853 /nfs/dbraw/zinc/51/88/53/432518853.db2.gz OXOKBWRNDAHFTA-GFCCVEGCSA-N 1 0 322.796 3.056 20 5 DGBDRO Cc1cc(N[C@H]2CC[C@H](O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272874766 432536275 /nfs/dbraw/zinc/53/62/75/432536275.db2.gz UFKQQAJWEUWVJN-AULYBMBSSA-N 1 0 301.346 3.167 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177859019 432668072 /nfs/dbraw/zinc/66/80/72/432668072.db2.gz BRWVHHNADHSZTP-LBPRGKRZSA-N 1 0 307.394 3.210 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000178098834 432695018 /nfs/dbraw/zinc/69/50/18/432695018.db2.gz OHGYMXCCIYNLHH-QWHCGFSZSA-N 1 0 319.405 3.001 20 5 DGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274687284 432697534 /nfs/dbraw/zinc/69/75/34/432697534.db2.gz LLWKEEAPGWVSPP-STQMWFEESA-N 1 0 321.421 3.247 20 5 DGBDRO Cc1c([C@H](C)NC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000178255315 432712112 /nfs/dbraw/zinc/71/21/12/432712112.db2.gz GPVCDEQHGVCBIS-AWEZNQCLSA-N 1 0 317.433 3.428 20 5 DGBDRO CC(C)[NH+](CCNc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000227887430 432715734 /nfs/dbraw/zinc/71/57/34/432715734.db2.gz IOTBYBRETWNCIQ-UHFFFAOYSA-N 1 0 301.337 3.404 20 5 DGBDRO CCC[C@@H]([NH2+]CCSCCCO)c1cccc([N+](=O)[O-])c1 ZINC000223271860 432675828 /nfs/dbraw/zinc/67/58/28/432675828.db2.gz MRUGTOIELLAPQY-OAHLLOKOSA-N 1 0 312.435 3.141 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000275789282 432748773 /nfs/dbraw/zinc/74/87/73/432748773.db2.gz WWTKGZUMZXGSMY-ZDUSSCGKSA-N 1 0 321.421 3.128 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(CCO)CCCC2)c1 ZINC000266593469 432769132 /nfs/dbraw/zinc/76/91/32/432769132.db2.gz AOYLZRLOUWJWQB-UHFFFAOYSA-N 1 0 312.797 3.281 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178743424 432773735 /nfs/dbraw/zinc/77/37/35/432773735.db2.gz XJXMMBXYKDXPKH-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000236987643 432774195 /nfs/dbraw/zinc/77/41/95/432774195.db2.gz FISPXHAAGITBPP-HOTGVXAUSA-N 1 0 304.390 3.422 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000178757420 432774374 /nfs/dbraw/zinc/77/43/74/432774374.db2.gz IOFXCJJVMVRRPR-LBPRGKRZSA-N 1 0 308.378 3.286 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161399914 432776773 /nfs/dbraw/zinc/77/67/73/432776773.db2.gz YHLXNOOSDSSBPN-CZUORRHYSA-N 1 0 300.358 3.022 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000161474178 432781828 /nfs/dbraw/zinc/78/18/28/432781828.db2.gz OUJCMGQAIGQFPU-YOEHRIQHSA-N 1 0 314.385 3.330 20 5 DGBDRO C[C@@H]1CCC[C@@](CNCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000237598577 432794010 /nfs/dbraw/zinc/79/40/10/432794010.db2.gz ZRVDTSJSJGIGSQ-RHSMWYFYSA-N 1 0 305.422 3.195 20 5 DGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000189680878 432809961 /nfs/dbraw/zinc/80/99/61/432809961.db2.gz INFCABXHJLFCSN-UHFFFAOYSA-N 1 0 318.402 3.128 20 5 DGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000278134669 432886698 /nfs/dbraw/zinc/88/66/98/432886698.db2.gz MXKDGVIIBNWBHF-AWEZNQCLSA-N 1 0 321.421 3.144 20 5 DGBDRO CC(C)[NH+]1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296256697 432889489 /nfs/dbraw/zinc/88/94/89/432889489.db2.gz GAADTCMQNXAJRY-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000245531606 432840039 /nfs/dbraw/zinc/84/00/39/432840039.db2.gz TZKFFRQCUOWQMY-CABCVRRESA-N 1 0 305.422 3.238 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000245535911 432840924 /nfs/dbraw/zinc/84/09/24/432840924.db2.gz WVSUUZPVYSVWNO-UONOGXRCSA-N 1 0 314.389 3.187 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000163113280 432843210 /nfs/dbraw/zinc/84/32/10/432843210.db2.gz RXIWJEGIXXLTIX-GUYCJALGSA-N 1 0 306.406 3.495 20 5 DGBDRO CN(C)c1ccccc1CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000289153313 432927646 /nfs/dbraw/zinc/92/76/46/432927646.db2.gz ZUUHVZPPLYLHMO-UHFFFAOYSA-N 1 0 317.364 3.432 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCCCC1(C)C ZINC000331098481 432929648 /nfs/dbraw/zinc/92/96/48/432929648.db2.gz BWIKTPWLQCFNQI-AWEZNQCLSA-N 1 0 319.405 3.400 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000331170457 432933384 /nfs/dbraw/zinc/93/33/84/432933384.db2.gz NZFHRXJYHSBVAY-VXGBXAGGSA-N 1 0 310.419 3.319 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000279108263 432935252 /nfs/dbraw/zinc/93/52/52/432935252.db2.gz OYURZAYWGUYBHM-OZVIIMIRSA-N 1 0 304.390 3.332 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000330434453 432909559 /nfs/dbraw/zinc/90/95/59/432909559.db2.gz AJNXFIOPNFTRRG-ZFWWWQNUSA-N 1 0 304.390 3.404 20 5 DGBDRO Cc1cccnc1CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296491420 432914013 /nfs/dbraw/zinc/91/40/13/432914013.db2.gz ORFQKVXKARFMQX-ZDUSSCGKSA-N 1 0 314.389 3.164 20 5 DGBDRO CC1CCC(O)(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000330613137 432920262 /nfs/dbraw/zinc/92/02/62/432920262.db2.gz RTKDAUCSEXDMSV-UHFFFAOYSA-N 1 0 306.406 3.010 20 5 DGBDRO COCCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289759707 432975539 /nfs/dbraw/zinc/97/55/39/432975539.db2.gz JNZQOKPFUDQLKW-UHFFFAOYSA-N 1 0 307.177 3.370 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCSC2)cc(C(F)(F)F)c1 ZINC000279517275 432977398 /nfs/dbraw/zinc/97/73/98/432977398.db2.gz NZVYOFXTOWDGGO-SNVBAGLBSA-N 1 0 306.309 3.209 20 5 DGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000279555376 432982927 /nfs/dbraw/zinc/98/29/27/432982927.db2.gz RHGYTSXQYURUKX-ONGXEEELSA-N 1 0 318.295 3.128 20 5 DGBDRO CCC[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290063700 432986614 /nfs/dbraw/zinc/98/66/14/432986614.db2.gz STYCJNVHJIDZJM-UHFFFAOYSA-N 1 0 307.177 3.106 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000280014673 432998965 /nfs/dbraw/zinc/99/89/65/432998965.db2.gz GWWXUKXQTISNPI-WFASDCNBSA-N 1 0 314.389 3.365 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000279394362 432963985 /nfs/dbraw/zinc/96/39/85/432963985.db2.gz ZBKSDBFQMPCKAS-FZMZJTMJSA-N 1 0 316.361 3.313 20 5 DGBDRO COc1ncccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000290189002 433008139 /nfs/dbraw/zinc/00/81/39/433008139.db2.gz OCXNQTXXNCOVDU-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCCC(F)(F)F)CC2 ZINC000332678555 433011635 /nfs/dbraw/zinc/01/16/35/433011635.db2.gz HEQAVDOMFGXFCG-UHFFFAOYSA-N 1 0 303.284 3.081 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CCc2c(ncn2-c2ccccc2)C1 ZINC000349869733 433025310 /nfs/dbraw/zinc/02/53/10/433025310.db2.gz SZPSOMOSRVPLKS-UHFFFAOYSA-N 1 0 320.352 3.343 20 5 DGBDRO CCOc1cc(C[NH+]2CCC(C)(OCC)CC2)ccc1[N+](=O)[O-] ZINC000298226289 433061493 /nfs/dbraw/zinc/06/14/93/433061493.db2.gz GUFITQNKWPWJEY-UHFFFAOYSA-N 1 0 322.405 3.385 20 5 DGBDRO Cc1cc(-c2noc(C[NH+]3[C@H](C)CC[C@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000453293154 433069499 /nfs/dbraw/zinc/06/94/99/433069499.db2.gz PMQRDCDKXAQOOB-VXGBXAGGSA-N 1 0 316.361 3.326 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@](C)(CC)OC)cc1[N+](=O)[O-] ZINC000453308169 433076646 /nfs/dbraw/zinc/07/66/46/433076646.db2.gz WBOGFODDISEURI-WBMJQRKESA-N 1 0 310.394 3.459 20 5 DGBDRO Cc1nccnc1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000446887433 433123393 /nfs/dbraw/zinc/12/33/93/433123393.db2.gz SUJUTUOIRYQGTM-JTQLQIEISA-N 1 0 320.780 3.240 20 5 DGBDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350289514 433124381 /nfs/dbraw/zinc/12/43/81/433124381.db2.gz QURVANOBOCXRBD-HNNXBMFYSA-N 1 0 318.348 3.081 20 5 DGBDRO Cc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420230210 433129536 /nfs/dbraw/zinc/12/95/36/433129536.db2.gz IGTLDBAXHSUPSV-ZJUUUORDSA-N 1 0 317.311 3.096 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(CCCO)CC1 ZINC000341553145 433129783 /nfs/dbraw/zinc/12/97/83/433129783.db2.gz RQPUVXXIJWSUCM-CLTKARDFSA-N 1 0 304.390 3.093 20 5 DGBDRO Cc1cc(NCC2([NH3+])CCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420226250 433130861 /nfs/dbraw/zinc/13/08/61/433130861.db2.gz GHJOMVLPFLENRR-UHFFFAOYSA-N 1 0 303.284 3.215 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCC4(CC4)CC3)nc2c1 ZINC000446833130 433107967 /nfs/dbraw/zinc/10/79/67/433107967.db2.gz BSLKAXRWNSULJE-UHFFFAOYSA-N 1 0 300.362 3.284 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000453352199 433112196 /nfs/dbraw/zinc/11/21/96/433112196.db2.gz HGYXDZDTRBKXTR-ZIAGYGMSSA-N 1 0 322.405 3.461 20 5 DGBDRO CCC1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)COC1 ZINC000453357580 433116027 /nfs/dbraw/zinc/11/60/27/433116027.db2.gz IVWUYYUDSZYYLM-OAHLLOKOSA-N 1 0 304.390 3.333 20 5 DGBDRO Cc1cc(NCC[C@@H]2CCC[NH2+]C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420183686 433120411 /nfs/dbraw/zinc/12/04/11/433120411.db2.gz AALLWDMIJSKROG-ZDUSSCGKSA-N 1 0 314.389 3.253 20 5 DGBDRO C[NH+]1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290923501 433209534 /nfs/dbraw/zinc/20/95/34/433209534.db2.gz QUZPBBKKJPYIHT-UHFFFAOYSA-N 1 0 318.204 3.085 20 5 DGBDRO CC1=C(C)CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000280776265 433167985 /nfs/dbraw/zinc/16/79/85/433167985.db2.gz PPGKHAADWWPCLA-UHFFFAOYSA-N 1 0 314.345 3.187 20 5 DGBDRO CC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000341683011 433210054 /nfs/dbraw/zinc/21/00/54/433210054.db2.gz KTPVMWBTPWCZJJ-MRXNPFEDSA-N 1 0 316.405 3.392 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453447024 433191558 /nfs/dbraw/zinc/19/15/58/433191558.db2.gz YXQQTELHBZVDIQ-KBPBESRZSA-N 1 0 306.406 3.321 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC1CCC1 ZINC000361485479 433200321 /nfs/dbraw/zinc/20/03/21/433200321.db2.gz NWNOBFIZCJNVJR-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO CC(C)[N@H+](C)CCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447536913 433217664 /nfs/dbraw/zinc/21/76/64/433217664.db2.gz RDOBNCHAJDAKTR-QGZVFWFLSA-N 1 0 305.422 3.292 20 5 DGBDRO COc1ccc(C[NH2+]CCC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000453584456 433218792 /nfs/dbraw/zinc/21/87/92/433218792.db2.gz FCMWMPKQCBMVKF-UHFFFAOYSA-N 1 0 300.305 3.128 20 5 DGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@@H](C)OC ZINC000361565247 433247832 /nfs/dbraw/zinc/24/78/32/433247832.db2.gz OQMHISUJWNSMDR-CYBMUJFWSA-N 1 0 310.394 3.239 20 5 DGBDRO CO[C@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000374650616 433248923 /nfs/dbraw/zinc/24/89/23/433248923.db2.gz XUIFSWXDEUDORU-AWEZNQCLSA-N 1 0 315.373 3.457 20 5 DGBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CCC[N@@H+]1C ZINC000413232634 433266610 /nfs/dbraw/zinc/26/66/10/433266610.db2.gz CMMQCLXXZSYKHS-WCQYABFASA-N 1 0 300.362 3.038 20 5 DGBDRO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC000361645400 433309233 /nfs/dbraw/zinc/30/92/33/433309233.db2.gz RRCSASNDEMGDIR-UKRRQHHQSA-N 1 0 322.405 3.240 20 5 DGBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000339076477 433345378 /nfs/dbraw/zinc/34/53/78/433345378.db2.gz VADGVCYXEGWWAU-ZDUSSCGKSA-N 1 0 318.295 3.128 20 5 DGBDRO CC(C)Cn1cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000291731666 433329848 /nfs/dbraw/zinc/32/98/48/433329848.db2.gz NUMCMNYXDIZFIX-UHFFFAOYSA-N 1 0 316.405 3.472 20 5 DGBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000291887340 433383537 /nfs/dbraw/zinc/38/35/37/433383537.db2.gz JFCLXBDLMQPYPM-HZPDHXFCSA-N 1 0 304.390 3.139 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421011834 433384715 /nfs/dbraw/zinc/38/47/15/433384715.db2.gz HNBWKRSPRLDEJJ-LBPRGKRZSA-N 1 0 312.797 3.233 20 5 DGBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000425958222 433385153 /nfs/dbraw/zinc/38/51/53/433385153.db2.gz FJAZVZKYQDBFAF-STQMWFEESA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000361806573 433400331 /nfs/dbraw/zinc/40/03/31/433400331.db2.gz KEXBMDJGBJTACO-GFCCVEGCSA-N 1 0 308.378 3.367 20 5 DGBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCCCC1 ZINC000301068474 433402961 /nfs/dbraw/zinc/40/29/61/433402961.db2.gz IAGOULHSMNVABW-HNNXBMFYSA-N 1 0 306.410 3.302 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000414129280 433413607 /nfs/dbraw/zinc/41/36/07/433413607.db2.gz HYGHQWJVJWATFQ-GFCCVEGCSA-N 1 0 315.373 3.028 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000292001287 433424542 /nfs/dbraw/zinc/42/45/42/433424542.db2.gz XKEXKNIZADJLLC-HIFRSBDPSA-N 1 0 300.362 3.108 20 5 DGBDRO CC[N@H+](CCC1CC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355062157 433444003 /nfs/dbraw/zinc/44/40/03/433444003.db2.gz PUNYFDWKWZPMRH-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1C ZINC000355106409 433462339 /nfs/dbraw/zinc/46/23/39/433462339.db2.gz MZYTXFBQBBZEEP-UWVGGRQHSA-N 1 0 300.305 3.427 20 5 DGBDRO CC(C)c1nnc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000426288416 433456008 /nfs/dbraw/zinc/45/60/08/433456008.db2.gz JFKCZRBHMLUDAE-NSHDSACASA-N 1 0 320.418 3.463 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000301228723 433459122 /nfs/dbraw/zinc/45/91/22/433459122.db2.gz IDIRADMZGMYSFP-SGMGOOAPSA-N 1 0 306.410 3.077 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(C)CC1 ZINC000339255487 433472309 /nfs/dbraw/zinc/47/23/09/433472309.db2.gz ANZBZSFDJUZGIG-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(C)CC1 ZINC000339255443 433474284 /nfs/dbraw/zinc/47/42/84/433474284.db2.gz UKFVJJGYWSVBFT-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000330434452 290266963 /nfs/dbraw/zinc/26/69/63/290266963.db2.gz AJNXFIOPNFTRRG-UKRRQHHQSA-N 1 0 304.390 3.404 20 5 DGBDRO C[C@@H](NC(=O)CC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000339264070 433478119 /nfs/dbraw/zinc/47/81/19/433478119.db2.gz JSYUMKPOGLLVGZ-ZIAGYGMSSA-N 1 0 319.405 3.037 20 5 DGBDRO COC1(C)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000342173215 433515361 /nfs/dbraw/zinc/51/53/61/433515361.db2.gz FPCYJFIPMFSGRN-UHFFFAOYSA-N 1 0 322.405 3.383 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000414296112 433520174 /nfs/dbraw/zinc/52/01/74/433520174.db2.gz GFLQCUQAUAGIMU-MCIONIFRSA-N 1 0 314.332 3.184 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000355191257 433522276 /nfs/dbraw/zinc/52/22/76/433522276.db2.gz ZJYKSASICIYHBI-HOTGVXAUSA-N 1 0 304.390 3.374 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccccc2)n1 ZINC000351494391 433530879 /nfs/dbraw/zinc/53/08/79/433530879.db2.gz RDNIEXXRWWVKQH-JKSUJKDBSA-N 1 0 314.389 3.107 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000301403914 433536701 /nfs/dbraw/zinc/53/67/01/433536701.db2.gz SGZYEBMLCSJRBK-AWEZNQCLSA-N 1 0 307.394 3.280 20 5 DGBDRO COc1cc(C[N@@H+]2CCCC3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000355206402 433538658 /nfs/dbraw/zinc/53/86/58/433538658.db2.gz WBIGYOFPPIFJGU-UHFFFAOYSA-N 1 0 320.389 3.378 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000362031194 433499778 /nfs/dbraw/zinc/49/97/78/433499778.db2.gz ZXBRVCQADGJRFZ-HUUCEWRRSA-N 1 0 314.389 3.144 20 5 DGBDRO Cc1ccnc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000301310415 433502831 /nfs/dbraw/zinc/50/28/31/433502831.db2.gz ZNBBLYRQZFJHNX-CQSZACIVSA-N 1 0 318.352 3.152 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421401161 433548606 /nfs/dbraw/zinc/54/86/06/433548606.db2.gz SZJKALNLPZTISE-RTYFKUQISA-N 1 0 318.417 3.483 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]2c2ccco2)n1 ZINC000414335307 433552218 /nfs/dbraw/zinc/55/22/18/433552218.db2.gz CAHSVSRSKWHALG-AAVRWANBSA-N 1 0 316.361 3.014 20 5 DGBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000362158941 433553169 /nfs/dbraw/zinc/55/31/69/433553169.db2.gz AZAUOMFQTGZQJM-CABCVRRESA-N 1 0 322.405 3.111 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)cc2)n1 ZINC000351526664 433557016 /nfs/dbraw/zinc/55/70/16/433557016.db2.gz YLJBJTXOHZMWAR-HUUCEWRRSA-N 1 0 318.352 3.204 20 5 DGBDRO O=[N+]([O-])c1ccc(CNc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000351549928 433567638 /nfs/dbraw/zinc/56/76/38/433567638.db2.gz GNSGYXIVHFRHPF-UHFFFAOYSA-N 1 0 308.341 3.452 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000301480064 433571909 /nfs/dbraw/zinc/57/19/09/433571909.db2.gz RMDZSODTHVUQPC-OAHLLOKOSA-N 1 0 303.406 3.358 20 5 DGBDRO COCC[N@H+](CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000351566502 433577552 /nfs/dbraw/zinc/57/75/52/433577552.db2.gz DHMSPEIDNLZDEG-UHFFFAOYSA-N 1 0 314.385 3.286 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000282247028 433544062 /nfs/dbraw/zinc/54/40/62/433544062.db2.gz QFQNGFSEGSMIIJ-INIZCTEOSA-N 1 0 304.390 3.076 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293145309 433633971 /nfs/dbraw/zinc/63/39/71/433633971.db2.gz BHQSRYRIEMKNLK-HOCLYGCPSA-N 1 0 314.385 3.191 20 5 DGBDRO Cc1sccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351641357 433634849 /nfs/dbraw/zinc/63/48/49/433634849.db2.gz NSAJRZHZHYHKML-ZDUSSCGKSA-N 1 0 318.402 3.046 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000301614659 433636797 /nfs/dbraw/zinc/63/67/97/433636797.db2.gz IHAMYHDKPYAKIM-ZFWWWQNUSA-N 1 0 312.373 3.065 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCO[C@H](CF)C1 ZINC000414478884 433642668 /nfs/dbraw/zinc/64/26/68/433642668.db2.gz QEIDZXQWVOFHAB-WDBUWWRISA-N 1 0 308.353 3.059 20 5 DGBDRO CCOCC(C)(C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293173879 433643522 /nfs/dbraw/zinc/64/35/22/433643522.db2.gz GSEBLNPRJWUEHO-UHFFFAOYSA-N 1 0 319.361 3.155 20 5 DGBDRO Cc1c([C@@H](C)NC[C@@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000165302443 292878795 /nfs/dbraw/zinc/87/87/95/292878795.db2.gz VNZGFGHVIVESBT-UKRRQHHQSA-N 1 0 305.422 3.286 20 5 DGBDRO CC[C@H]([NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414526694 433690466 /nfs/dbraw/zinc/69/04/66/433690466.db2.gz LRWDYELZWXLSSL-DKTLHIEFSA-N 1 0 306.406 3.383 20 5 DGBDRO CCOc1cc(N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000356780296 433691278 /nfs/dbraw/zinc/69/12/78/433691278.db2.gz ALVRDGYOPOWAIN-UKRRQHHQSA-N 1 0 321.421 3.303 20 5 DGBDRO Cc1ccc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301710824 433692100 /nfs/dbraw/zinc/69/21/00/433692100.db2.gz HSHAZGSWJPZICG-GASCZTMLSA-N 1 0 321.421 3.205 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000367439589 293072729 /nfs/dbraw/zinc/07/27/29/293072729.db2.gz VTAOWFGPOZPPTQ-MRXNPFEDSA-N 1 0 314.389 3.369 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)C(C)C ZINC000414529818 433695430 /nfs/dbraw/zinc/69/54/30/433695430.db2.gz PPBRMZBGGSIHLT-KBPBESRZSA-N 1 0 300.786 3.133 20 5 DGBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000356790685 433700289 /nfs/dbraw/zinc/70/02/89/433700289.db2.gz HRALQHHASCJCDH-VHSXEESVSA-N 1 0 317.311 3.142 20 5 DGBDRO Cc1n[nH]cc1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000368500472 293128375 /nfs/dbraw/zinc/12/83/75/293128375.db2.gz XDUDXXUNAJXBMF-UHFFFAOYSA-N 1 0 300.362 3.006 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000374048508 293346958 /nfs/dbraw/zinc/34/69/58/293346958.db2.gz HIZRFWOSXLFNNH-HNNXBMFYSA-N 1 0 314.389 3.098 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000374144170 293357725 /nfs/dbraw/zinc/35/77/25/293357725.db2.gz VRNLNMNWOZQLLQ-UHFFFAOYSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339683112 433729789 /nfs/dbraw/zinc/72/97/89/433729789.db2.gz MKGQNTDABCFHQK-TZMCWYRMSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000449243821 433731589 /nfs/dbraw/zinc/73/15/89/433731589.db2.gz NQCYQEOEQXPFDO-OAHLLOKOSA-N 1 0 319.449 3.237 20 5 DGBDRO CSc1cccc(-c2nc([C@H]([NH3+])CC(C)C)no2)c1[N+](=O)[O-] ZINC000414622748 433753760 /nfs/dbraw/zinc/75/37/60/433753760.db2.gz SQUCOXRPQKBLBR-SNVBAGLBSA-N 1 0 322.390 3.413 20 5 DGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C2([NH3+])CCC2)no1 ZINC000414648170 433770321 /nfs/dbraw/zinc/77/03/21/433770321.db2.gz RSRCYFYDLHEZLE-GFCCVEGCSA-N 1 0 316.361 3.052 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCC[C@@H](C)C1 ZINC000449092105 433725750 /nfs/dbraw/zinc/72/57/50/433725750.db2.gz LHRHKMZQOYWXDI-OAGGEKHMSA-N 1 0 319.449 3.236 20 5 DGBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301900569 433782159 /nfs/dbraw/zinc/78/21/59/433782159.db2.gz ZEXGDKFCLSFYIF-UHFFFAOYSA-N 1 0 307.394 3.278 20 5 DGBDRO C[NH+](C)Cc1ccc(CNc2ccccc2[N+](=O)[O-])cc1F ZINC000301898495 433782667 /nfs/dbraw/zinc/78/26/67/433782667.db2.gz WWYICYNWBRNOJM-UHFFFAOYSA-N 1 0 303.337 3.408 20 5 DGBDRO COCC1(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000293579215 433792720 /nfs/dbraw/zinc/79/27/20/433792720.db2.gz BXDWXNSIICIHLL-GFCCVEGCSA-N 1 0 307.394 3.034 20 5 DGBDRO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376653098 433793255 /nfs/dbraw/zinc/79/32/55/433793255.db2.gz SLVKAYKLJXGIAQ-GDBMZVCRSA-N 1 0 318.421 3.421 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449784966 433798208 /nfs/dbraw/zinc/79/82/08/433798208.db2.gz DCGQVBDZBGSCII-IQIBNGDESA-N 1 0 303.406 3.023 20 5 DGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCOC(C)(C)C1 ZINC000351935324 433803573 /nfs/dbraw/zinc/80/35/73/433803573.db2.gz JGBJIKDTWRVVMF-HNNXBMFYSA-N 1 0 322.405 3.383 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000449792014 433806008 /nfs/dbraw/zinc/80/60/08/433806008.db2.gz RBCYRZFZJIPEGT-BAAYTWLHSA-N 1 0 304.390 3.093 20 5 DGBDRO COC1(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000293629928 433806426 /nfs/dbraw/zinc/80/64/26/433806426.db2.gz GJPQIVRSNAENDE-INIZCTEOSA-N 1 0 318.417 3.465 20 5 DGBDRO Cc1cccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000302493851 433822994 /nfs/dbraw/zinc/82/29/94/433822994.db2.gz LEDLAOUAHZYUPB-GOEBONIOSA-N 1 0 315.417 3.356 20 5 DGBDRO CC(C)[NH+](CCNc1c2c(ccc1[N+](=O)[O-])NCC2)C(C)C ZINC000302821720 433874575 /nfs/dbraw/zinc/87/45/75/433874575.db2.gz DREBQMOPIONQEN-UHFFFAOYSA-N 1 0 306.410 3.094 20 5 DGBDRO Cc1cc(NCC2CC[NH+](C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302835285 433877077 /nfs/dbraw/zinc/87/70/77/433877077.db2.gz VAELPOTYPPOENK-UHFFFAOYSA-N 1 0 314.389 3.205 20 5 DGBDRO CCCC[N@H+](C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432341128 433825667 /nfs/dbraw/zinc/82/56/67/433825667.db2.gz UAJULVVWRPOFHQ-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000293691867 433827930 /nfs/dbraw/zinc/82/79/30/433827930.db2.gz LGTMHKKJQOFCBR-KBPBESRZSA-N 1 0 321.421 3.106 20 5 DGBDRO COCc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284108222 433835788 /nfs/dbraw/zinc/83/57/88/433835788.db2.gz NFBASPAARAUNFW-LBPRGKRZSA-N 1 0 315.373 3.174 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c2cc([N+](=O)[O-])ccc21 ZINC000433063288 433843034 /nfs/dbraw/zinc/84/30/34/433843034.db2.gz XKHVQSAXPIIDIJ-VDNDLQMASA-N 1 0 316.401 3.474 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000433240070 433846255 /nfs/dbraw/zinc/84/62/55/433846255.db2.gz KBHVHJUAHFTZRB-BZUAXINKSA-N 1 0 304.390 3.210 20 5 DGBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284176034 433851266 /nfs/dbraw/zinc/85/12/66/433851266.db2.gz QTTHNFQNNOAFIO-GFCCVEGCSA-N 1 0 315.373 3.427 20 5 DGBDRO CC[NH2+]CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414830912 433869898 /nfs/dbraw/zinc/86/98/98/433869898.db2.gz OPZDTDMOUDDORW-UHFFFAOYSA-N 1 0 323.780 3.207 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000345189564 433902391 /nfs/dbraw/zinc/90/23/91/433902391.db2.gz KNGSRDWXCIRLGY-OLZOCXBDSA-N 1 0 314.389 3.062 20 5 DGBDRO CCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293879097 433906066 /nfs/dbraw/zinc/90/60/66/433906066.db2.gz TXLHUMCXSHDKAU-UHFFFAOYSA-N 1 0 306.284 3.082 20 5 DGBDRO C[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]1 ZINC000414948677 433930235 /nfs/dbraw/zinc/93/02/35/433930235.db2.gz MNRJMJYCEYDLOA-TZMCWYRMSA-N 1 0 315.373 3.085 20 5 DGBDRO CCOc1cc(NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000362832253 433879926 /nfs/dbraw/zinc/87/99/26/433879926.db2.gz XBVZPKJKRAPUOE-UHFFFAOYSA-N 1 0 307.394 3.281 20 5 DGBDRO [NH3+]C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000414854077 433882983 /nfs/dbraw/zinc/88/29/83/433882983.db2.gz UHUAYPQCALGPKC-HNNXBMFYSA-N 1 0 311.813 3.245 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCC[NH2+]C2)s1 ZINC000414862025 433891080 /nfs/dbraw/zinc/89/10/80/433891080.db2.gz GSNOQTLUBSUBCJ-LBPRGKRZSA-N 1 0 317.414 3.165 20 5 DGBDRO C[C@H]1SCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000303725667 433961688 /nfs/dbraw/zinc/96/16/88/433961688.db2.gz STHFZFAPKNDQHH-QWHCGFSZSA-N 1 0 310.419 3.190 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000415487209 433982347 /nfs/dbraw/zinc/98/23/47/433982347.db2.gz SVGOZZXSOGTSBG-MRXNPFEDSA-N 1 0 322.409 3.097 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC4(C3)CCOC4)o2)cc1 ZINC000294071341 433982908 /nfs/dbraw/zinc/98/29/08/433982908.db2.gz QOHVTQLCTISGSN-UHFFFAOYSA-N 1 0 314.341 3.077 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450214389 434031268 /nfs/dbraw/zinc/03/12/68/434031268.db2.gz YIMNOHWSFXXOJG-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DGBDRO CC[N@@H+]1CCC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450216755 434036672 /nfs/dbraw/zinc/03/66/72/434036672.db2.gz NYJQHWXNCLOGDA-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO CO[C@H](Cc1ccccc1)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000450225826 434039777 /nfs/dbraw/zinc/03/97/77/434039777.db2.gz HMYNUMPIOIZRGC-QGZVFWFLSA-N 1 0 314.385 3.284 20 5 DGBDRO CC[NH+](CC)CCCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450282608 434080653 /nfs/dbraw/zinc/08/06/53/434080653.db2.gz HZELSBKELKPMOD-UHFFFAOYSA-N 1 0 316.405 3.677 20 5 DGBDRO Cn1ccnc1[C@@H]([NH2+]CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353404680 434112994 /nfs/dbraw/zinc/11/29/94/434112994.db2.gz MXEOPMRKMLBXHT-INIZCTEOSA-N 1 0 314.389 3.198 20 5 DGBDRO C[C@H]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000450353811 434124783 /nfs/dbraw/zinc/12/47/83/434124783.db2.gz HBPUTWCYKHMEBI-NWDGAFQWSA-N 1 0 300.362 3.038 20 5 DGBDRO CCC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000501874486 294152606 /nfs/dbraw/zinc/15/26/06/294152606.db2.gz YDHDQDWSIAPXDD-AWEZNQCLSA-N 1 0 321.421 3.304 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)nn1C ZINC000502456613 294165786 /nfs/dbraw/zinc/16/57/86/294165786.db2.gz ZINOEKGSMFHNTH-CQSZACIVSA-N 1 0 316.405 3.310 20 5 DGBDRO C[N@H+](Cc1cccc(-n2cccn2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507133422 294283706 /nfs/dbraw/zinc/28/37/06/294283706.db2.gz YHFVXOUTUAAKIH-UHFFFAOYSA-N 1 0 322.368 3.413 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cn3ccccc3n2)cc1 ZINC000508738131 294332097 /nfs/dbraw/zinc/33/20/97/294332097.db2.gz DSBRDJIOLMPOGC-UHFFFAOYSA-N 1 0 324.384 3.355 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000450411865 434159857 /nfs/dbraw/zinc/15/98/57/434159857.db2.gz OGYUJIIBPUULBU-CHWSQXEVSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@@H]1[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000363871139 434174732 /nfs/dbraw/zinc/17/47/32/434174732.db2.gz ZLMZRHIOFQPGFB-DRDHIDPGSA-N 1 0 316.401 3.499 20 5 DGBDRO CCC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513821597 294485371 /nfs/dbraw/zinc/48/53/71/294485371.db2.gz LUECFQMQKNNIOY-HFTRVMKXSA-N 1 0 320.433 3.447 20 5 DGBDRO CCOc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000317108038 434197171 /nfs/dbraw/zinc/19/71/71/434197171.db2.gz BXXCWDJNEDQLMR-UONOGXRCSA-N 1 0 305.378 3.032 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000437044827 434205102 /nfs/dbraw/zinc/20/51/02/434205102.db2.gz IXWOLFULNDXTPK-YRGRVCCFSA-N 1 0 305.378 3.090 20 5 DGBDRO C[C@H](CCO)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295106895 434206017 /nfs/dbraw/zinc/20/60/17/434206017.db2.gz LDGPXCSKCDCKHA-VIFPVBQESA-N 1 0 321.204 3.400 20 5 DGBDRO CC(C)(C)CC[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000515508324 294564220 /nfs/dbraw/zinc/56/42/20/294564220.db2.gz BRDCYJVFACIFML-UHFFFAOYSA-N 1 0 305.422 3.149 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCC(C)(C)C[NH+]1CCCC1 ZINC000357968970 434267808 /nfs/dbraw/zinc/26/78/08/434267808.db2.gz YGRMQSPESSNGTG-UHFFFAOYSA-N 1 0 321.421 3.275 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](NC2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423185300 434271653 /nfs/dbraw/zinc/27/16/53/434271653.db2.gz NIKSBILRMJPWFV-SFHVURJKSA-N 1 0 311.385 3.026 20 5 DGBDRO Cc1ccc(C(C)(C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000353572507 434237798 /nfs/dbraw/zinc/23/77/98/434237798.db2.gz SCGPNXLFEISQTO-UHFFFAOYSA-N 1 0 315.373 3.202 20 5 DGBDRO CCOc1ccc([C@@H](C)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000423258963 434318312 /nfs/dbraw/zinc/31/83/12/434318312.db2.gz CRRSSGOTKXWWLT-TZMCWYRMSA-N 1 0 309.410 3.018 20 5 DGBDRO CC(C)C[C@H](CN)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423266803 434324278 /nfs/dbraw/zinc/32/42/78/434324278.db2.gz SFTKDRRLUHNBIS-OIISXLGYSA-N 1 0 319.449 3.269 20 5 DGBDRO C[NH2+]C[C@H](C)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423268289 434324928 /nfs/dbraw/zinc/32/49/28/434324928.db2.gz FVDBTGODBQJWOL-KSSFIOAISA-N 1 0 313.401 3.129 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)Cc1ccccc1F ZINC000437776630 434334379 /nfs/dbraw/zinc/33/43/79/434334379.db2.gz QAAVNXJVPKWAAD-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353681727 434329883 /nfs/dbraw/zinc/32/98/83/434329883.db2.gz BJDOJWMKXJEVBE-XPKDYRNWSA-N 1 0 314.389 3.196 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348520023 434368400 /nfs/dbraw/zinc/36/84/00/434368400.db2.gz HLAKQQMEYKFKAY-PWSUYJOCSA-N 1 0 320.723 3.498 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000358189494 434374180 /nfs/dbraw/zinc/37/41/80/434374180.db2.gz MUQPNNGQRWYWAR-CQSZACIVSA-N 1 0 316.405 3.485 20 5 DGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348472694 434338092 /nfs/dbraw/zinc/33/80/92/434338092.db2.gz YHFBRAZDTCAPAI-GXTWGEPZSA-N 1 0 320.418 3.235 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCn1ccnc1)CCCC2 ZINC000417299625 434350375 /nfs/dbraw/zinc/35/03/75/434350375.db2.gz NHEHTDVOBWWCTB-KRWDZBQOSA-N 1 0 314.389 3.239 20 5 DGBDRO CC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000359842363 434443965 /nfs/dbraw/zinc/44/39/65/434443965.db2.gz PYOMJOVZYVVXFL-UHFFFAOYSA-N 1 0 317.311 3.064 20 5 DGBDRO Cc1cc(N[C@H]2CS[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000397818389 434445694 /nfs/dbraw/zinc/44/56/94/434445694.db2.gz SMMPWKQOLYOQKQ-GHMZBOCLSA-N 1 0 303.387 3.179 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCC[C@@H]1O ZINC000348556392 434397038 /nfs/dbraw/zinc/39/70/38/434397038.db2.gz OYPWAXYIYCJHCW-HOTGVXAUSA-N 1 0 316.357 3.200 20 5 DGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000397787098 434440660 /nfs/dbraw/zinc/44/06/60/434440660.db2.gz GIRHQGYZAOIYDB-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO COc1cc(NC2CC[NH+](C3CCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000450879753 434460971 /nfs/dbraw/zinc/46/09/71/434460971.db2.gz ONHBITGBWMSNCG-UHFFFAOYSA-N 1 0 323.368 3.171 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(F)c1 ZINC000295996296 434469224 /nfs/dbraw/zinc/46/92/24/434469224.db2.gz MIQOUCCQZAGWCX-BMFZPTHFSA-N 1 0 320.364 3.171 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(F)c1 ZINC000295996297 434469871 /nfs/dbraw/zinc/46/98/71/434469871.db2.gz MIQOUCCQZAGWCX-FVQBIDKESA-N 1 0 320.364 3.171 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000296037370 434486184 /nfs/dbraw/zinc/48/61/84/434486184.db2.gz MUWOYRWCLZYBQI-HIFRSBDPSA-N 1 0 306.406 3.447 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000450861829 434449206 /nfs/dbraw/zinc/44/92/06/434449206.db2.gz QDWZJDDLQOTSHX-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H](c1ccccc1)[NH+](C)C ZINC000287787056 434452665 /nfs/dbraw/zinc/45/26/65/434452665.db2.gz OPNNUZDTRCOKCF-GXFFZTMASA-N 1 0 306.391 3.155 20 5 DGBDRO Cc1ccc(F)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000348899019 434548216 /nfs/dbraw/zinc/54/82/16/434548216.db2.gz ZMRTWJNMWYWYDI-UHFFFAOYSA-N 1 0 303.337 3.008 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417919238 434548882 /nfs/dbraw/zinc/54/88/82/434548882.db2.gz YWAYDWWRMZBWED-YOEHRIQHSA-N 1 0 312.369 3.497 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCCCC2)c1 ZINC000525193870 295002993 /nfs/dbraw/zinc/00/29/93/295002993.db2.gz PCJGEJXQXRMRHN-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c(F)c1 ZINC000348953140 434565015 /nfs/dbraw/zinc/56/50/15/434565015.db2.gz XVXIEZZMETWLQI-MRXNPFEDSA-N 1 0 308.353 3.125 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CC(C)(C)C1 ZINC000527349526 295093776 /nfs/dbraw/zinc/09/37/76/295093776.db2.gz OSAIHVQYCFMQNL-LBPRGKRZSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CC(C)(C)C1 ZINC000527349525 295093840 /nfs/dbraw/zinc/09/38/40/295093840.db2.gz OSAIHVQYCFMQNL-GFCCVEGCSA-N 1 0 319.405 3.338 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)nc2c1 ZINC000418032539 434569165 /nfs/dbraw/zinc/56/91/65/434569165.db2.gz MBVSCMYUFJQNOM-ZFWWWQNUSA-N 1 0 322.368 3.364 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000360328766 434580214 /nfs/dbraw/zinc/58/02/14/434580214.db2.gz HJIIYHNOXNMXCB-FOCJUVANSA-N 1 0 319.405 3.336 20 5 DGBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000418111648 434589006 /nfs/dbraw/zinc/58/90/06/434589006.db2.gz AEONYIMINBFNKC-SDDRHHMPSA-N 1 0 308.378 3.088 20 5 DGBDRO COc1cccc(NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000354124973 434632086 /nfs/dbraw/zinc/63/20/86/434632086.db2.gz BEUDPCORTMVHPF-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000424140454 434632873 /nfs/dbraw/zinc/63/28/73/434632873.db2.gz OGZBYKJWVWWPIA-CABCVRRESA-N 1 0 319.405 3.035 20 5 DGBDRO CCOc1ccc([C@@H](C)N[C@H](C)C[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000349210177 434638656 /nfs/dbraw/zinc/63/86/56/434638656.db2.gz SRJQTOSZIUSKPK-ZIAGYGMSSA-N 1 0 323.437 3.374 20 5 DGBDRO CC(C)n1cncc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000424178024 434646620 /nfs/dbraw/zinc/64/66/20/434646620.db2.gz QMNBJPONFKOGCJ-UHFFFAOYSA-N 1 0 322.796 3.358 20 5 DGBDRO COc1cccc2c1C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000459701175 434669426 /nfs/dbraw/zinc/66/94/26/434669426.db2.gz NDEMNQHVHPZFHB-KQQSKNTNSA-N 1 0 324.380 3.374 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000459752851 434700223 /nfs/dbraw/zinc/70/02/23/434700223.db2.gz LKNOYMMJNHICPJ-FUHWJXTLSA-N 1 0 318.417 3.276 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419373865 434780159 /nfs/dbraw/zinc/78/01/59/434780159.db2.gz OUQHZWWJCDRUIN-SCRDCRAPSA-N 1 0 319.405 3.208 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000419373867 434779943 /nfs/dbraw/zinc/77/99/43/434779943.db2.gz OUQHZWWJCDRUIN-SGMGOOAPSA-N 1 0 319.405 3.208 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411637292 434810559 /nfs/dbraw/zinc/81/05/59/434810559.db2.gz CPAZQQLXZKEDAL-SWLSCSKDSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412050173 434862801 /nfs/dbraw/zinc/86/28/01/434862801.db2.gz XQWNREFHQJVKJV-NEPJUHHUSA-N 1 0 305.378 3.042 20 5 DGBDRO CC(C)c1ccc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000361155387 434815429 /nfs/dbraw/zinc/81/54/29/434815429.db2.gz PHUNHDHMHMHHOK-ZIAGYGMSSA-N 1 0 305.422 3.243 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000411820881 434832469 /nfs/dbraw/zinc/83/24/69/434832469.db2.gz NFMITJZGRXXODH-UHFFFAOYSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1ccc(C[N@@H+]2CCSC3(CCC3)CC2)cc1[N+](=O)[O-] ZINC000411871253 434838315 /nfs/dbraw/zinc/83/83/15/434838315.db2.gz QOYITUXEPNIXPJ-UHFFFAOYSA-N 1 0 322.430 3.465 20 5 DGBDRO CCC[C@H](C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)OC ZINC000453241004 434838859 /nfs/dbraw/zinc/83/88/59/434838859.db2.gz CVSTYXKAYUJRTH-GXTWGEPZSA-N 1 0 310.394 3.459 20 5 DGBDRO CO[C@](C)([C@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000411968921 434849633 /nfs/dbraw/zinc/84/96/33/434849633.db2.gz KPSLKCVIEYCEMW-BJOHPYRUSA-N 1 0 314.332 3.166 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CC(C)(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000412047181 434860978 /nfs/dbraw/zinc/86/09/78/434860978.db2.gz SGEJNDQIPHZORS-GFCCVEGCSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1[nH+]c2c(n1CCOc1cccc([N+](=O)[O-])c1)CCCC2 ZINC000521529453 434886575 /nfs/dbraw/zinc/88/65/75/434886575.db2.gz HUJZZCGVPBTXHE-UHFFFAOYSA-N 1 0 301.346 3.058 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC1(C)C ZINC000554095377 434914073 /nfs/dbraw/zinc/91/40/73/434914073.db2.gz CXGCUGWVLRSQAH-SMDDNHRTSA-N 1 0 305.378 3.090 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000463055607 434940642 /nfs/dbraw/zinc/94/06/42/434940642.db2.gz UWEMOZXTDSIREO-CQSZACIVSA-N 1 0 306.410 3.365 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000492299381 434955652 /nfs/dbraw/zinc/95/56/52/434955652.db2.gz ZUZPGOHTXPLAGP-VXGBXAGGSA-N 1 0 310.781 3.107 20 5 DGBDRO COc1cc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000462789759 434930139 /nfs/dbraw/zinc/93/01/39/434930139.db2.gz SCUMJVZKKFQICC-OKILXGFUSA-N 1 0 321.421 3.383 20 5 DGBDRO CC(C)CC[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000554526251 434932240 /nfs/dbraw/zinc/93/22/40/434932240.db2.gz BWRVRNOGODCTTL-ZDUSSCGKSA-N 1 0 307.394 3.338 20 5 DGBDRO CCOc1cc(C[NH+]2CCC(OC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000555581536 434979119 /nfs/dbraw/zinc/97/91/19/434979119.db2.gz MLURPVOMFUOOLO-UHFFFAOYSA-N 1 0 322.405 3.383 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000555637690 434982948 /nfs/dbraw/zinc/98/29/48/434982948.db2.gz GCVIRLQOCHPLOF-BYPLOIIRSA-N 1 0 304.390 3.139 20 5 DGBDRO CCOc1cc(C[N@H+](CCOC)CC(C)C)ccc1[N+](=O)[O-] ZINC000492536660 435006386 /nfs/dbraw/zinc/00/63/86/435006386.db2.gz NEPKUGCKJAMKQD-UHFFFAOYSA-N 1 0 310.394 3.098 20 5 DGBDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000557795816 435067675 /nfs/dbraw/zinc/06/76/75/435067675.db2.gz LGDLXJQZXFHAGS-BLLLJJGKSA-N 1 0 316.357 3.480 20 5 DGBDRO CC(C)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000466663951 435087059 /nfs/dbraw/zinc/08/70/59/435087059.db2.gz IWLJGNFWFMCEHO-CQSZACIVSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000558604428 435100366 /nfs/dbraw/zinc/10/03/66/435100366.db2.gz NDMWIKHIVOXWHL-GFCCVEGCSA-N 1 0 307.394 3.330 20 5 DGBDRO CN(CC[NH+](C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000578680396 435101397 /nfs/dbraw/zinc/10/13/97/435101397.db2.gz NQOFKCXDRGLZOM-UHFFFAOYSA-N 1 0 319.430 3.317 20 5 DGBDRO CC(C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000467169885 435110165 /nfs/dbraw/zinc/11/01/65/435110165.db2.gz FCKSHGRTVFPNAB-KGLIPLIRSA-N 1 0 319.405 3.290 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000578882341 435116460 /nfs/dbraw/zinc/11/64/60/435116460.db2.gz KBCPVTANVXXOFY-YOEHRIQHSA-N 1 0 318.417 3.361 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000467432856 435121552 /nfs/dbraw/zinc/12/15/52/435121552.db2.gz FVFAYURZQDVPHJ-DZGCQCFKSA-N 1 0 306.406 3.434 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CN1CCCCC1 ZINC000579854303 435188534 /nfs/dbraw/zinc/18/85/34/435188534.db2.gz UJFUZLBTZLTJRK-SFKKXYGYSA-N 1 0 317.433 3.462 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000475358632 435192011 /nfs/dbraw/zinc/19/20/11/435192011.db2.gz QIXKRYLJWNJMDX-GWKQRERASA-N 1 0 304.390 3.235 20 5 DGBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000475377998 435194085 /nfs/dbraw/zinc/19/40/85/435194085.db2.gz CQEAPJBIKYCJSJ-MTIYJEKLSA-N 1 0 318.417 3.481 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000579468839 435155713 /nfs/dbraw/zinc/15/57/13/435155713.db2.gz NGJXZFISAHHYES-NHYWBVRUSA-N 1 0 300.362 3.236 20 5 DGBDRO CC(C)(C)OC(=O)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579611714 435170086 /nfs/dbraw/zinc/17/00/86/435170086.db2.gz OSCFDAMGROTIGA-AWEZNQCLSA-N 1 0 320.389 3.294 20 5 DGBDRO Cc1ccnc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000560514538 435175631 /nfs/dbraw/zinc/17/56/31/435175631.db2.gz PNDWRFKYJMPNQK-ZDUSSCGKSA-N 1 0 301.346 3.028 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000532542189 435176717 /nfs/dbraw/zinc/17/67/17/435176717.db2.gz VOTOADDVKLHCAY-IGCXYCKISA-N 1 0 303.406 3.037 20 5 DGBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532584679 435179718 /nfs/dbraw/zinc/17/97/18/435179718.db2.gz RIJGLUCFGAOTFQ-WFASDCNBSA-N 1 0 319.405 3.094 20 5 DGBDRO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000535079625 435318204 /nfs/dbraw/zinc/31/82/04/435318204.db2.gz AWICWFPKZVLAPN-HNNXBMFYSA-N 1 0 314.385 3.286 20 5 DGBDRO CC(C)=CCC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000479292391 435324614 /nfs/dbraw/zinc/32/46/14/435324614.db2.gz YLBFJNOYELCAMM-ZDUSSCGKSA-N 1 0 305.378 3.258 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@@H](CO)CC2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000479555328 435337698 /nfs/dbraw/zinc/33/76/98/435337698.db2.gz OEWDBEUYOMTGNK-CXAGYDPISA-N 1 0 318.417 3.458 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H](CO)CC2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000479555332 435338091 /nfs/dbraw/zinc/33/80/91/435338091.db2.gz OEWDBEUYOMTGNK-GUYCJALGSA-N 1 0 318.417 3.458 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000536850767 435416866 /nfs/dbraw/zinc/41/68/66/435416866.db2.gz GUANJPQGCOEHAQ-TZMCWYRMSA-N 1 0 319.405 3.480 20 5 DGBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000514910510 435445365 /nfs/dbraw/zinc/44/53/65/435445365.db2.gz ZEDVIMNBOZULRW-JJAZEVLHSA-N 1 0 304.390 3.073 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC1(C)C ZINC000568780522 435471314 /nfs/dbraw/zinc/47/13/14/435471314.db2.gz XPMJYAASCVNTMV-AWEZNQCLSA-N 1 0 305.378 3.010 20 5 DGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481411850 435426336 /nfs/dbraw/zinc/42/63/36/435426336.db2.gz KWVSBVWBTFLQLI-OCCSQVGLSA-N 1 0 308.378 3.103 20 5 DGBDRO CC(C)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCN(C)C ZINC000514758303 435433495 /nfs/dbraw/zinc/43/34/95/435433495.db2.gz LNFPRVDLXYQMFC-CLFYSBASSA-N 1 0 305.422 3.128 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000537466407 435443582 /nfs/dbraw/zinc/44/35/82/435443582.db2.gz CBGIOSLQBDBFSH-ZNNBYXKUSA-N 1 0 316.401 3.499 20 5 DGBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000569108699 435503926 /nfs/dbraw/zinc/50/39/26/435503926.db2.gz PUMDCQNTDOUXAB-KBPBESRZSA-N 1 0 304.390 3.484 20 5 DGBDRO CCC[C@@]1(CO)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000569392525 435529235 /nfs/dbraw/zinc/52/92/35/435529235.db2.gz OKPUUFPZANKHMM-SPQRHKFCSA-N 1 0 318.417 3.483 20 5 DGBDRO CC(C)[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCC1 ZINC000569472902 435536994 /nfs/dbraw/zinc/53/69/94/435536994.db2.gz SRRVVYFNYIXIDC-AEFFLSMTSA-N 1 0 317.433 3.292 20 5 DGBDRO C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530393 435534751 /nfs/dbraw/zinc/53/47/51/435534751.db2.gz XBCXDWYUUSKCNC-DYVFJYSZSA-N 1 0 317.433 3.249 20 5 DGBDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482864342 435486273 /nfs/dbraw/zinc/48/62/73/435486273.db2.gz AQXTYVGAJQNWQV-GOEBONIOSA-N 1 0 305.422 3.428 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CCCC[C@H]1O)C1CC1 ZINC000516774552 435551863 /nfs/dbraw/zinc/55/18/63/435551863.db2.gz VPGBGIGXWSXWKE-WMLDXEAASA-N 1 0 304.390 3.110 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000517071363 435573383 /nfs/dbraw/zinc/57/33/83/435573383.db2.gz DQHVROUOMNRYLI-SJORKVTESA-N 1 0 316.401 3.376 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CCCCCC3)C2)nc1 ZINC000539835925 435574880 /nfs/dbraw/zinc/57/48/80/435574880.db2.gz WNFNMLWJUGUBFL-HNNXBMFYSA-N 1 0 318.421 3.446 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC1CCCC1 ZINC000449209373 298919330 /nfs/dbraw/zinc/91/93/30/298919330.db2.gz QJPTXCRYYWHPEY-CZUORRHYSA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000540646498 435612863 /nfs/dbraw/zinc/61/28/63/435612863.db2.gz OMKCUWSDZXJYPT-QWHCGFSZSA-N 1 0 314.389 3.346 20 5 DGBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000488333127 435635654 /nfs/dbraw/zinc/63/56/54/435635654.db2.gz CMPDZNSFBVDGBJ-YPMHNXCESA-N 1 0 319.405 3.029 20 5 DGBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC1(C)C ZINC000489459537 435649753 /nfs/dbraw/zinc/64/97/53/435649753.db2.gz CCWAWYQGKXBCGI-CQSZACIVSA-N 1 0 301.346 3.480 20 5 DGBDRO Cc1cccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000520845864 435776160 /nfs/dbraw/zinc/77/61/60/435776160.db2.gz BKOAOHSBSNBAHW-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000572808491 435868813 /nfs/dbraw/zinc/86/88/13/435868813.db2.gz LJTIEMUMGVIBTK-SNVBAGLBSA-N 1 0 317.336 3.337 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnn2ccccc12 ZINC000552087691 435882380 /nfs/dbraw/zinc/88/23/80/435882380.db2.gz NZOHMOIGRJLYTN-CQSZACIVSA-N 1 0 324.384 3.353 20 5 DGBDRO C[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H]1[NH3+] ZINC000658970067 436453645 /nfs/dbraw/zinc/45/36/45/436453645.db2.gz FIRDTXLREHEBKK-ACJLOTCBSA-N 1 0 319.408 3.197 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCS1)C1CC1 ZINC000168660174 312695859 /nfs/dbraw/zinc/69/58/59/312695859.db2.gz VOHNQWNSZSUNTE-GJZGRUSLSA-N 1 0 306.431 3.401 20 5 DGBDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000530443019 313370279 /nfs/dbraw/zinc/37/02/79/313370279.db2.gz KCWVUBCOEUBDTR-QGZVFWFLSA-N 1 0 316.357 3.202 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCC3CCCC3)CC2)cn1 ZINC000531732062 313486347 /nfs/dbraw/zinc/48/63/47/313486347.db2.gz PXFSLXZFYMPUQF-UHFFFAOYSA-N 1 0 318.421 3.082 20 5 DGBDRO Cc1cc(N[C@H](C)C[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542102175 314056181 /nfs/dbraw/zinc/05/61/81/314056181.db2.gz IVYXNJLPEFZNIS-BXUZGUMPSA-N 1 0 315.373 3.243 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000542320529 314070281 /nfs/dbraw/zinc/07/02/81/314070281.db2.gz SVQJEBBQNCGAFN-CYBMUJFWSA-N 1 0 319.405 3.210 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000542933199 314107176 /nfs/dbraw/zinc/10/71/76/314107176.db2.gz LZWGDHXWNGWWIH-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000543181502 314118432 /nfs/dbraw/zinc/11/84/32/314118432.db2.gz HQFDXMNBWAPONJ-GFCCVEGCSA-N 1 0 319.405 3.210 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](CO)C1CCCCC1 ZINC000550275092 314533363 /nfs/dbraw/zinc/53/33/63/314533363.db2.gz QTFWSJCHRAQJGV-XBMZPMPPSA-N 1 0 318.417 3.386 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cnc2n1CCCC2 ZINC000551566135 314566883 /nfs/dbraw/zinc/56/68/83/314566883.db2.gz YXOIIHJGHYZSAX-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[NH+](C)C(C)(C)CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000563264181 315096680 /nfs/dbraw/zinc/09/66/80/315096680.db2.gz OLFSUCCPYUGMDP-GFCCVEGCSA-N 1 0 319.327 3.128 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1COc2ccccc21 ZINC000563419072 315113769 /nfs/dbraw/zinc/11/37/69/315113769.db2.gz RWCRUZDCGBHBTG-MLGOLLRUSA-N 1 0 310.353 3.348 20 5 DGBDRO CCCCN(C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000563484307 315119286 /nfs/dbraw/zinc/11/92/86/315119286.db2.gz ZHHOFGFJWVGSPZ-TUPIDYKKSA-N 1 0 305.422 3.318 20 5 DGBDRO CC(C)[NH2+]CCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000564649618 315188788 /nfs/dbraw/zinc/18/87/88/315188788.db2.gz CYFXWRIKJMCNRS-INIZCTEOSA-N 1 0 305.422 3.295 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000564986564 315217463 /nfs/dbraw/zinc/21/74/63/315217463.db2.gz PFZBZPZODJTJBS-HZPDHXFCSA-N 1 0 304.390 3.294 20 5 DGBDRO O=C(CC[NH2+][C@H](C1CC1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000565713059 315282370 /nfs/dbraw/zinc/28/23/70/315282370.db2.gz ZCPRMUMNASDFEF-KRWDZBQOSA-N 1 0 317.389 3.092 20 5 DGBDRO Cc1[nH+]c2c(n1Cc1c(F)cc([N+](=O)[O-])cc1F)CCCC2 ZINC000567063237 315394575 /nfs/dbraw/zinc/39/45/75/315394575.db2.gz SIZBGEFGLXBUFO-UHFFFAOYSA-N 1 0 307.300 3.305 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2CCSCC2)n1 ZINC000567117309 315397569 /nfs/dbraw/zinc/39/75/69/315397569.db2.gz QTUYACPJJBXHPL-KBPBESRZSA-N 1 0 324.450 3.008 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C12CCC2 ZINC000573265933 315852763 /nfs/dbraw/zinc/85/27/63/315852763.db2.gz NQZGUSJHGLTTKN-NUEKZKHPSA-N 1 0 302.374 3.129 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000578023309 316295688 /nfs/dbraw/zinc/29/56/88/316295688.db2.gz XBPYBZTXNHTXGE-SJORKVTESA-N 1 0 316.401 3.376 20 5 DGBDRO CC(C)CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000179911231 323217268 /nfs/dbraw/zinc/21/72/68/323217268.db2.gz CXKSADFXDTWZKL-OAHLLOKOSA-N 1 0 323.437 3.197 20 5 DGBDRO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000181145777 323247299 /nfs/dbraw/zinc/24/72/99/323247299.db2.gz JHOXQUBCJFDOOG-UHFFFAOYSA-N 1 0 314.385 3.368 20 5 DGBDRO CCC(CC)[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192854652 323460172 /nfs/dbraw/zinc/46/01/72/323460172.db2.gz RJMQQYOHFISGSS-DLBZAZTESA-N 1 0 306.406 3.359 20 5 DGBDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000541055343 323688640 /nfs/dbraw/zinc/68/86/40/323688640.db2.gz XMMAJXACJFNNLU-INIZCTEOSA-N 1 0 300.358 3.035 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000579345682 323855191 /nfs/dbraw/zinc/85/51/91/323855191.db2.gz LFLVNWWBLVXBON-RDBSUJKOSA-N 1 0 319.405 3.338 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000580737208 324032764 /nfs/dbraw/zinc/03/27/64/324032764.db2.gz WSWXHHWUPZHDJB-LBPRGKRZSA-N 1 0 306.410 3.095 20 5 DGBDRO C[N@H+](CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCC1 ZINC000581142092 324079855 /nfs/dbraw/zinc/07/98/55/324079855.db2.gz JBVQPTUNRBQHGK-INIZCTEOSA-N 1 0 303.406 3.046 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000581884930 324164595 /nfs/dbraw/zinc/16/45/95/324164595.db2.gz POOORGBBTLMKOY-RKCSUWQLSA-N 1 0 304.390 3.497 20 5 DGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@@H]1O ZINC000582065803 324185872 /nfs/dbraw/zinc/18/58/72/324185872.db2.gz FTMBAHFLFQXEED-RDJZCZTQSA-N 1 0 306.406 3.356 20 5 DGBDRO CCC(CC)(C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000582695884 324262350 /nfs/dbraw/zinc/26/23/50/324262350.db2.gz LMSTWCXDSJWXSD-GFCCVEGCSA-N 1 0 308.378 3.225 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOc1ccccc1F ZINC000582735027 324268607 /nfs/dbraw/zinc/26/86/07/324268607.db2.gz ASQINAPDEMOXSB-OAHLLOKOSA-N 1 0 316.332 3.390 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H]3CCCC[C@H]3O)C2)cc1 ZINC000582847905 324283830 /nfs/dbraw/zinc/28/38/30/324283830.db2.gz CEGMSBUWYCDXGX-JFIYKMOQSA-N 1 0 318.417 3.325 20 5 DGBDRO C[C@H](NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000151461255 533729815 /nfs/dbraw/zinc/72/98/15/533729815.db2.gz GGKIJLDGYBPTFR-RCBQFDQVSA-N 1 0 319.405 3.070 20 5 DGBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000443317497 533860228 /nfs/dbraw/zinc/86/02/28/533860228.db2.gz XWGDPZBFLPLRTN-UEKVPHQBSA-N 1 0 312.797 3.230 20 5 DGBDRO COc1cc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)ccn1 ZINC000302213278 533910152 /nfs/dbraw/zinc/91/01/52/533910152.db2.gz ZFPAGURKRMXCGC-UHFFFAOYSA-N 1 0 324.340 3.467 20 5 DGBDRO CS[C@@H]1CCCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000441101179 533943578 /nfs/dbraw/zinc/94/35/78/533943578.db2.gz JNDROHQWOQNAJH-OAHLLOKOSA-N 1 0 310.419 3.191 20 5 DGBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000413256972 534030965 /nfs/dbraw/zinc/03/09/65/534030965.db2.gz AFDSXTKKCJOQIL-XHDPSFHLSA-N 1 0 318.352 3.232 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443640277 534298654 /nfs/dbraw/zinc/29/86/54/534298654.db2.gz IROBVKULBDRDBT-HZSPNIEDSA-N 1 0 319.405 3.290 20 5 DGBDRO [NH3+]C1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000178503100 534557820 /nfs/dbraw/zinc/55/78/20/534557820.db2.gz FAGYIWAPYDVUTK-UHFFFAOYSA-N 1 0 319.408 3.388 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000293165367 534885485 /nfs/dbraw/zinc/88/54/85/534885485.db2.gz UWBSKBKVJOEQIE-GFCCVEGCSA-N 1 0 309.797 3.170 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000295135236 534887556 /nfs/dbraw/zinc/88/75/56/534887556.db2.gz YSWVMYAAVQDTPJ-IMJJTQAJSA-N 1 0 304.390 3.075 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415091708 534886975 /nfs/dbraw/zinc/88/69/75/534886975.db2.gz ZQEGZPKRYCBUFG-IRXDYDNUSA-N 1 0 311.385 3.178 20 5 DGBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183685509 526615429 /nfs/dbraw/zinc/61/54/29/526615429.db2.gz COWVGXLEASCNFF-CYBMUJFWSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1noc([C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000266520892 526653209 /nfs/dbraw/zinc/65/32/09/526653209.db2.gz IJAWPLVVCBZXKY-DGCLKSJQSA-N 1 0 316.361 3.227 20 5 DGBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444685896 526733759 /nfs/dbraw/zinc/73/37/59/526733759.db2.gz QGSIWPUCAGVCPL-NSHDSACASA-N 1 0 302.378 3.339 20 5 DGBDRO CC(C)(CC[NH+]1CCCCCC1)Nc1ncccc1[N+](=O)[O-] ZINC000302421912 527032274 /nfs/dbraw/zinc/03/22/74/527032274.db2.gz OJQBJAZFVMWJAZ-UHFFFAOYSA-N 1 0 306.410 3.446 20 5 DGBDRO CC(=O)c1ccc(NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000302141792 527315736 /nfs/dbraw/zinc/31/57/36/527315736.db2.gz FILPEFHSPHVZPW-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CC(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000444750013 527775441 /nfs/dbraw/zinc/77/54/41/527775441.db2.gz XCBDCZIHORGXLZ-AWEZNQCLSA-N 1 0 319.405 3.291 20 5 DGBDRO CC(C)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444688002 527777840 /nfs/dbraw/zinc/77/78/40/527777840.db2.gz IFFBPRBEDKBTFP-LBPRGKRZSA-N 1 0 302.378 3.339 20 5 DGBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000294455100 527805142 /nfs/dbraw/zinc/80/51/42/527805142.db2.gz VVZLZPDSAPJOED-LBPRGKRZSA-N 1 0 318.295 3.271 20 5 DGBDRO CC(C)OCCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447602072 527931502 /nfs/dbraw/zinc/93/15/02/527931502.db2.gz SKSSHCXXPCSTQN-GJZGRUSLSA-N 1 0 324.425 3.070 20 5 DGBDRO CCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(C)C ZINC000441273611 528103377 /nfs/dbraw/zinc/10/33/77/528103377.db2.gz DCFBQPAMDXFHNJ-UHFFFAOYSA-N 1 0 310.394 3.350 20 5 DGBDRO CC1=CC[N@H+](CCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413243028 528121857 /nfs/dbraw/zinc/12/18/57/528121857.db2.gz YHBADIPLDKEPJS-UHFFFAOYSA-N 1 0 312.373 3.207 20 5 DGBDRO CCOc1cc(NCCCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000413344862 528325192 /nfs/dbraw/zinc/32/51/92/528325192.db2.gz DXMOUITUPRGDBQ-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO CC(C)C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444645028 528387989 /nfs/dbraw/zinc/38/79/89/528387989.db2.gz WOJWLGXMSWIMPA-LBPRGKRZSA-N 1 0 302.378 3.339 20 5 DGBDRO CCOC1(C)CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000430087518 528448616 /nfs/dbraw/zinc/44/86/16/528448616.db2.gz HOPXRMZMSKESMW-SOFGYWHQSA-N 1 0 304.390 3.499 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000297348390 528607480 /nfs/dbraw/zinc/60/74/80/528607480.db2.gz PADRXHVUKYBQNX-STQMWFEESA-N 1 0 310.394 3.053 20 5 DGBDRO CCC1(CC)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444649020 529057139 /nfs/dbraw/zinc/05/71/39/529057139.db2.gz KLXASQPFRNETMO-UHFFFAOYSA-N 1 0 302.378 3.483 20 5 DGBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000314441706 529106967 /nfs/dbraw/zinc/10/69/67/529106967.db2.gz IFAXAOXNYWYAKH-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296773912 529198546 /nfs/dbraw/zinc/19/85/46/529198546.db2.gz RNODTFKXSIRSRS-ZFWWWQNUSA-N 1 0 319.405 3.037 20 5 DGBDRO CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000330783619 529217898 /nfs/dbraw/zinc/21/78/98/529217898.db2.gz ILOIKOXPQIDPRE-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000429794627 529229335 /nfs/dbraw/zinc/22/93/35/529229335.db2.gz XMUIGRFTFWLCKU-ZFWWWQNUSA-N 1 0 319.405 3.400 20 5 DGBDRO CCC(CC)[C@@H](O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468655120 535119606 /nfs/dbraw/zinc/11/96/06/535119606.db2.gz GZVUDAFAVRITHM-GQPJMJRUSA-N 1 0 306.406 3.385 20 5 DGBDRO CCC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])COC1 ZINC000449598962 535296977 /nfs/dbraw/zinc/29/69/77/535296977.db2.gz JRDHUPHGMJEPEE-GOEBONIOSA-N 1 0 318.417 3.322 20 5 DGBDRO CCN(CC)C[C@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468630265 535589642 /nfs/dbraw/zinc/58/96/42/535589642.db2.gz OETXZYOJLLJSDH-IPJDOKCGSA-N 1 0 305.422 3.318 20 5 DGBDRO CC[C@@H](NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000449149632 535797712 /nfs/dbraw/zinc/79/77/12/535797712.db2.gz OBRBNASIPUJKNQ-HUUCEWRRSA-N 1 0 321.421 3.186 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](C)O ZINC000449548118 535805696 /nfs/dbraw/zinc/80/56/96/535805696.db2.gz ZMCBAGHBSUSZDC-BXUZGUMPSA-N 1 0 304.346 3.104 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](C)O ZINC000449548119 535915097 /nfs/dbraw/zinc/91/50/97/535915097.db2.gz ZMCBAGHBSUSZDC-FZMZJTMJSA-N 1 0 304.346 3.104 20 5 DGBDRO CC[C@H]1C[N@H+](CC)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449566972 536137899 /nfs/dbraw/zinc/13/78/99/536137899.db2.gz SPDIACPSSRSZAR-GQSKFBFOSA-N 1 0 303.406 3.024 20 5 DGBDRO CC[C@H]1C[N@H+](CC)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449566968 536139280 /nfs/dbraw/zinc/13/92/80/536139280.db2.gz SPDIACPSSRSZAR-DYLHUKMJSA-N 1 0 303.406 3.024 20 5 DGBDRO COC[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470171634 536753848 /nfs/dbraw/zinc/75/38/48/536753848.db2.gz MQTPJASTMXHSBC-SCZPIIQISA-N 1 0 304.390 3.357 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000449190143 536896538 /nfs/dbraw/zinc/89/65/38/536896538.db2.gz NDNUTKQYZUOYSF-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000268812544 546351105 /nfs/dbraw/zinc/35/11/05/546351105.db2.gz BELFHKMLGRJOSD-AMXDTQDGSA-N 1 0 318.398 3.183 20 5 DGBDRO CC(C)[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735492791 574703987 /nfs/dbraw/zinc/70/39/87/574703987.db2.gz TXUWPMLLQXJZFD-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO COc1ccc(C[NH2+][C@H](c2ccccn2)C(C)C)cc1[N+](=O)[O-] ZINC000736647063 574761996 /nfs/dbraw/zinc/76/19/96/574761996.db2.gz DHCYFQFJYSZLLW-KRWDZBQOSA-N 1 0 315.373 3.485 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000740859992 574943652 /nfs/dbraw/zinc/94/36/52/574943652.db2.gz ODVFPBJHONCMDU-QWHCGFSZSA-N 1 0 300.362 3.146 20 5 DGBDRO Cc1c(COC(=O)[C@H](C(C)C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000741013100 574948232 /nfs/dbraw/zinc/94/82/32/574948232.db2.gz CQGCAESNKOAKPW-INIZCTEOSA-N 1 0 320.389 3.067 20 5 DGBDRO CC(C)[C@H](C)[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728898090 575192451 /nfs/dbraw/zinc/19/24/51/575192451.db2.gz WSFOVCWNGBUIBC-ZDUSSCGKSA-N 1 0 302.378 3.392 20 5 DGBDRO C[C@H](NC(=O)CCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000729325047 575234256 /nfs/dbraw/zinc/23/42/56/575234256.db2.gz MNNAMGKBDWHSCJ-AWEZNQCLSA-N 1 0 319.405 3.038 20 5 DGBDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000747100804 575496114 /nfs/dbraw/zinc/49/61/14/575496114.db2.gz VIJAWXOEOFASAI-MRXNPFEDSA-N 1 0 300.358 3.035 20 5 DGBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000748247241 575574977 /nfs/dbraw/zinc/57/49/77/575574977.db2.gz SCIZBOPXYIRZNK-AWEZNQCLSA-N 1 0 314.769 3.070 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000749279124 575641444 /nfs/dbraw/zinc/64/14/44/575641444.db2.gz DXAQQZZQHQLMDT-GHMZBOCLSA-N 1 0 320.418 3.489 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000749559004 575664982 /nfs/dbraw/zinc/66/49/82/575664982.db2.gz KPGHKJPTFATLHE-CHWSQXEVSA-N 1 0 324.808 3.497 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000749688280 575672405 /nfs/dbraw/zinc/67/24/05/575672405.db2.gz KQCNBFQJJICZSP-IRXDYDNUSA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000749688281 575672501 /nfs/dbraw/zinc/67/25/01/575672501.db2.gz KQCNBFQJJICZSP-SJORKVTESA-N 1 0 316.332 3.044 20 5 DGBDRO CC[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749956588 575692048 /nfs/dbraw/zinc/69/20/48/575692048.db2.gz XIDBYQTZZGEXCX-CYBMUJFWSA-N 1 0 317.393 3.118 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCOC(C3CC3)(C3CC3)C2)cc1F ZINC000852649392 620637277 /nfs/dbraw/zinc/63/72/77/620637277.db2.gz JUNFPFGQKWWHFQ-UHFFFAOYSA-N 1 0 320.364 3.125 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000852673371 620639237 /nfs/dbraw/zinc/63/92/37/620639237.db2.gz HVIFCUIZYOQOAT-WBVHZDCISA-N 1 0 304.390 3.140 20 5 DGBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000853123299 620671761 /nfs/dbraw/zinc/67/17/61/620671761.db2.gz YGCCCNLGKZURCN-DYVFJYSZSA-N 1 0 306.406 3.434 20 5 DGBDRO CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000853132607 620672534 /nfs/dbraw/zinc/67/25/34/620672534.db2.gz AJPZWLQGGMJGIQ-LBPRGKRZSA-N 1 0 320.311 3.196 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cccc1OCc1cccc2c1CC[NH2+]C2 ZINC000853135870 620672876 /nfs/dbraw/zinc/67/28/76/620672876.db2.gz LRZFCKLSTLMRDF-UHFFFAOYSA-N 1 0 318.760 3.473 20 5 DGBDRO C[N@H+](CCSCc1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000917588085 620678151 /nfs/dbraw/zinc/67/81/51/620678151.db2.gz NHSBTQBURRZAOK-UHFFFAOYSA-N 1 0 317.414 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000918198752 620702152 /nfs/dbraw/zinc/70/21/52/620702152.db2.gz ZXWSPLFWEDPACF-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO CC[N@@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@H](C)C1 ZINC000853686784 620724964 /nfs/dbraw/zinc/72/49/64/620724964.db2.gz MGKDPTHVRCJROY-LLVKDONJSA-N 1 0 320.418 3.125 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000891803899 617902587 /nfs/dbraw/zinc/90/25/87/617902587.db2.gz LYRPEYFMCIQODY-AAEUAGOBSA-N 1 0 306.362 3.074 20 5 DGBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000919962466 620774265 /nfs/dbraw/zinc/77/42/65/620774265.db2.gz BLQQAGWWEMSDPF-UHFFFAOYSA-N 1 0 317.311 3.146 20 5 DGBDRO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cnc1F ZINC000894390833 618304006 /nfs/dbraw/zinc/30/40/06/618304006.db2.gz KWMKXLBVEWHVLK-UHFFFAOYSA-N 1 0 303.337 3.112 20 5 DGBDRO COC1CCC(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000894391597 618304164 /nfs/dbraw/zinc/30/41/64/618304164.db2.gz SRYRRBWNSFGSKA-UHFFFAOYSA-N 1 0 306.406 3.274 20 5 DGBDRO Cc1nn(C(C)C)c(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000892936313 618358438 /nfs/dbraw/zinc/35/84/38/618358438.db2.gz FKJIUCKGEONHPG-UHFFFAOYSA-N 1 0 316.405 3.321 20 5 DGBDRO Cc1nccn1CCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893028665 618397343 /nfs/dbraw/zinc/39/73/43/618397343.db2.gz JKSCQHFNCZVHNO-UHFFFAOYSA-N 1 0 322.796 3.323 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000893117209 618433257 /nfs/dbraw/zinc/43/32/57/618433257.db2.gz QOPPMNWNJLECJI-ZDUSSCGKSA-N 1 0 310.781 3.440 20 5 DGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(O)cc(F)c1 ZINC000925641883 618517916 /nfs/dbraw/zinc/51/79/16/618517916.db2.gz PRCARAARVASTBI-NSHDSACASA-N 1 0 304.321 3.333 20 5 DGBDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895214112 618576999 /nfs/dbraw/zinc/57/69/99/618576999.db2.gz HWXIRLYRTZQSEF-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO CC1=NO[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000895303366 618592273 /nfs/dbraw/zinc/59/22/73/618592273.db2.gz GCSXWDJDUHTMHX-KBMXLJTQSA-N 1 0 317.389 3.060 20 5 DGBDRO Cc1n[nH]c(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000893945945 618681669 /nfs/dbraw/zinc/68/16/69/618681669.db2.gz PAFITQANCQWRGR-UHFFFAOYSA-N 1 0 302.378 3.345 20 5 DGBDRO CS[C@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000894056451 618701046 /nfs/dbraw/zinc/70/10/46/618701046.db2.gz HXMYMEZMPZXBSO-JQWIXIFHSA-N 1 0 320.418 3.235 20 5 DGBDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000894056449 618701067 /nfs/dbraw/zinc/70/10/67/618701067.db2.gz HXMYMEZMPZXBSO-CMPLNLGQSA-N 1 0 320.418 3.235 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+](C(C)C)C(C)C)c1C ZINC000895446373 618785635 /nfs/dbraw/zinc/78/56/35/618785635.db2.gz QJEZGKZNVAOPQM-UHFFFAOYSA-N 1 0 321.421 3.060 20 5 DGBDRO C[N@@H+]1CCCC[C@@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895587374 618803261 /nfs/dbraw/zinc/80/32/61/618803261.db2.gz QDUGEIBYKNAWGO-LBPRGKRZSA-N 1 0 311.813 3.070 20 5 DGBDRO CC1(C)CO[C@@H](CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000895802048 618833605 /nfs/dbraw/zinc/83/36/05/618833605.db2.gz FUCRSHUDTHEHQH-LBPRGKRZSA-N 1 0 319.361 3.031 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895846701 618841062 /nfs/dbraw/zinc/84/10/62/618841062.db2.gz WSKHIURUFAOLMP-PBHICJAKSA-N 1 0 304.390 3.213 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895846708 618841413 /nfs/dbraw/zinc/84/14/13/618841413.db2.gz WSKHIURUFAOLMP-YOEHRIQHSA-N 1 0 304.390 3.213 20 5 DGBDRO C[NH+](C)CC[C@H](Nc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000895890619 618846434 /nfs/dbraw/zinc/84/64/34/618846434.db2.gz BLKYFHSSIXXYAQ-AWEZNQCLSA-N 1 0 300.362 3.095 20 5 DGBDRO CC1(C)C[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000897225349 619031745 /nfs/dbraw/zinc/03/17/45/619031745.db2.gz KRHBDXVDLMRXDH-CQSZACIVSA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1ccc(C[NH2+]CC(C)(C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000897450502 619129320 /nfs/dbraw/zinc/12/93/20/619129320.db2.gz FAHOESZJOJHYNJ-UHFFFAOYSA-N 1 0 306.406 3.446 20 5 DGBDRO COc1cnc(F)c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897460811 619130157 /nfs/dbraw/zinc/13/01/57/619130157.db2.gz IWYMAQGVXCAHEB-NSHDSACASA-N 1 0 319.336 3.031 20 5 DGBDRO C[C@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC000897460188 619130260 /nfs/dbraw/zinc/13/02/60/619130260.db2.gz QZIYDQRYECMMOK-YFTKNLTDSA-N 1 0 304.390 3.246 20 5 DGBDRO CCCn1nccc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897461713 619130387 /nfs/dbraw/zinc/13/03/87/619130387.db2.gz WBZSKEOQNROAFM-CYBMUJFWSA-N 1 0 302.378 3.095 20 5 DGBDRO C[C@H](C[NH2+]Cc1ccc2c(c1)ncn2C)c1ccccc1[N+](=O)[O-] ZINC000897465808 619130512 /nfs/dbraw/zinc/13/05/12/619130512.db2.gz IOEIEEQWCKPNDA-CYBMUJFWSA-N 1 0 324.384 3.375 20 5 DGBDRO COCC1CCC([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897463019 619130563 /nfs/dbraw/zinc/13/05/63/619130563.db2.gz AAHQVWUYWLFFCR-NFOMZHRRSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@H](C[NH2+]Cc1nc2c(s1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000897466317 619130593 /nfs/dbraw/zinc/13/05/93/619130593.db2.gz RHFCSRANAPBNBZ-LLVKDONJSA-N 1 0 317.414 3.433 20 5 DGBDRO C[C@@H](C[NH2+]Cc1c(F)ccc(O)c1F)c1ccccc1[N+](=O)[O-] ZINC000897463478 619130601 /nfs/dbraw/zinc/13/06/01/619130601.db2.gz GSYGFLUFARZCNZ-JTQLQIEISA-N 1 0 322.311 3.472 20 5 DGBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](C)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000897465475 619130691 /nfs/dbraw/zinc/13/06/91/619130691.db2.gz WVUHCNSYKRFXEB-LJIZCISZSA-N 1 0 318.417 3.492 20 5 DGBDRO Cc1cccn2c(C[NH2+]C[C@@H](C)c3ccccc3[N+](=O)[O-])cnc12 ZINC000897469411 619131635 /nfs/dbraw/zinc/13/16/35/619131635.db2.gz JUHKDIFWGHHRGN-CQSZACIVSA-N 1 0 324.384 3.444 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000897500824 619139005 /nfs/dbraw/zinc/13/90/05/619139005.db2.gz IXWBTXQASYJLMX-DZGCQCFKSA-N 1 0 310.781 3.295 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897528226 619149293 /nfs/dbraw/zinc/14/92/93/619149293.db2.gz AMKXGOBVWLVYNE-GXDHUFHOSA-N 1 0 316.401 3.283 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897780825 619182057 /nfs/dbraw/zinc/18/20/57/619182057.db2.gz ZQNLCVFWUKGDSY-PYORFJLXSA-N 1 0 318.417 3.463 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CCO)C1CCCC1 ZINC000897882582 619191027 /nfs/dbraw/zinc/19/10/27/619191027.db2.gz NBNPWUYBAQOBSC-HOTGVXAUSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897978304 619202471 /nfs/dbraw/zinc/20/24/71/619202471.db2.gz NJZSWNADTLYISZ-UHFFFAOYSA-N 1 0 323.824 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]C3CCC3)CC2)cc1Cl ZINC000897980673 619202703 /nfs/dbraw/zinc/20/27/03/619202703.db2.gz BZNJEZXFHZEUPE-UHFFFAOYSA-N 1 0 323.824 3.355 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000898204617 619221352 /nfs/dbraw/zinc/22/13/52/619221352.db2.gz XVJTXSXCZBFCTD-LESCRADOSA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927065922 619261623 /nfs/dbraw/zinc/26/16/23/619261623.db2.gz BFXMRBDYQOCLHG-NUTKFTJISA-N 1 0 304.390 3.451 20 5 DGBDRO Cc1c([C@H](C)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000902437047 619635764 /nfs/dbraw/zinc/63/57/64/619635764.db2.gz GZGVXRWLVAPGGV-BJOOFOGMSA-N 1 0 311.385 3.179 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)cc([N+](=O)[O-])c1 ZINC000903061335 619708032 /nfs/dbraw/zinc/70/80/32/619708032.db2.gz DLLCLMCIVLEGAO-NWDGAFQWSA-N 1 0 304.346 3.478 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903110634 619718232 /nfs/dbraw/zinc/71/82/32/619718232.db2.gz FGPIHJGOTBIETD-AVGNSLFASA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903113962 619719897 /nfs/dbraw/zinc/71/98/97/619719897.db2.gz ZIXXTZSAOBFXKE-RYUDHWBXSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903112194 619723207 /nfs/dbraw/zinc/72/32/07/619723207.db2.gz FRSNLINMODFBKL-DXCKQFNASA-N 1 0 322.405 3.458 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903131456 619723230 /nfs/dbraw/zinc/72/32/30/619723230.db2.gz SKXRYICZJXGVFM-UTUOFQBUSA-N 1 0 308.378 3.210 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903112198 619723302 /nfs/dbraw/zinc/72/33/02/619723302.db2.gz FRSNLINMODFBKL-QEORTHHSSA-N 1 0 322.405 3.458 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc([N+](=O)[O-])c1 ZINC000903154741 619726326 /nfs/dbraw/zinc/72/63/26/619726326.db2.gz VLRBDDAJLSQLQN-FZMZJTMJSA-N 1 0 308.378 3.212 20 5 DGBDRO COCC1(CC[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CCC1 ZINC000903173946 619729781 /nfs/dbraw/zinc/72/97/81/619729781.db2.gz AKIRTMSVOOOPMQ-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCCC2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903178878 619730958 /nfs/dbraw/zinc/73/09/58/619730958.db2.gz ZOJLTMSZPSAWMH-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000903181245 619731822 /nfs/dbraw/zinc/73/18/22/619731822.db2.gz OCYBBDBXTTVSDE-TVYUQYBPSA-N 1 0 318.295 3.355 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903193951 619733642 /nfs/dbraw/zinc/73/36/42/619733642.db2.gz IHVLQFGRCKOYQN-SGMGOOAPSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C2(OC)CCC2)cc([N+](=O)[O-])c1 ZINC000903190033 619737123 /nfs/dbraw/zinc/73/71/23/619737123.db2.gz NPSKRKRIPBZZDK-NEPJUHHUSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903205479 619738161 /nfs/dbraw/zinc/73/81/61/619738161.db2.gz ISHPYQPONDUNBB-STQMWFEESA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903205847 619738629 /nfs/dbraw/zinc/73/86/29/619738629.db2.gz GGTQWIGOPALXEY-VZAVHYRXSA-N 1 0 308.378 3.066 20 5 DGBDRO COCC(C)(C)CC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903217229 619740407 /nfs/dbraw/zinc/74/04/07/619740407.db2.gz RUPCLYNKLQTWBN-GFCCVEGCSA-N 1 0 310.394 3.317 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000903246344 619742152 /nfs/dbraw/zinc/74/21/52/619742152.db2.gz SYWLLSOKEVRCOJ-WDEREUQCSA-N 1 0 305.334 3.046 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000903246127 619744144 /nfs/dbraw/zinc/74/41/44/619744144.db2.gz RCEWFHKEEMXJLA-TZMCWYRMSA-N 1 0 300.362 3.020 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C2(O)CCC2)CC1 ZINC000903259492 619746388 /nfs/dbraw/zinc/74/63/88/619746388.db2.gz NMNXHDVWYYRWFC-CYBMUJFWSA-N 1 0 304.390 3.249 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000903258575 619746531 /nfs/dbraw/zinc/74/65/31/619746531.db2.gz DSNYMLGYKBBLGS-KEYYUXOJSA-N 1 0 306.406 3.495 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903260426 619746696 /nfs/dbraw/zinc/74/66/96/619746696.db2.gz UUWCVAWSPQWDLH-ZQIUZPCESA-N 1 0 306.406 3.495 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C1CC1 ZINC000903264243 619747415 /nfs/dbraw/zinc/74/74/15/619747415.db2.gz GHCHFNSINWRDMP-NUJGCVRESA-N 1 0 316.401 3.073 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903266124 619748979 /nfs/dbraw/zinc/74/89/79/619748979.db2.gz VEZMAQIGFLFVLJ-XEZPLFJOSA-N 1 0 322.405 3.195 20 5 DGBDRO C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1c(F)cccc1[N+](=O)[O-] ZINC000903280564 619751649 /nfs/dbraw/zinc/75/16/49/619751649.db2.gz VKZDGDMTLNVRNX-YGNMJOSFSA-N 1 0 308.353 3.342 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000903301628 619753808 /nfs/dbraw/zinc/75/38/08/619753808.db2.gz SCXUVNVYJVKBCX-MISXGVKJSA-N 1 0 309.435 3.060 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000903286883 619754498 /nfs/dbraw/zinc/75/44/98/619754498.db2.gz ISIIDRGUYGWGPQ-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)n1 ZINC000903315368 619758327 /nfs/dbraw/zinc/75/83/27/619758327.db2.gz FKTQFTIWLQJWTI-GZBLMMOJSA-N 1 0 304.394 3.053 20 5 DGBDRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903335085 619759291 /nfs/dbraw/zinc/75/92/91/619759291.db2.gz KOTWOLUHTHFGKB-APPDUMDISA-N 1 0 312.373 3.374 20 5 DGBDRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903335088 619759418 /nfs/dbraw/zinc/75/94/18/619759418.db2.gz KOTWOLUHTHFGKB-PIGZYNQJSA-N 1 0 312.373 3.374 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(OC(C)C)CCOC1 ZINC000903361086 619765605 /nfs/dbraw/zinc/76/56/05/619765605.db2.gz PGTXJBSXSPWZHO-YOEHRIQHSA-N 1 0 322.405 3.138 20 5 DGBDRO C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903427505 619774493 /nfs/dbraw/zinc/77/44/93/619774493.db2.gz GZWXYUCHRZDYPL-GTNSWQLSSA-N 1 0 312.373 3.374 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903438851 619775538 /nfs/dbraw/zinc/77/55/38/619775538.db2.gz YBTWVLHEGRFBQT-IXDOHACOSA-N 1 0 304.390 3.451 20 5 DGBDRO Cc1ccc(-c2noc(C[N@@H+](C)CC(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000903981150 619849180 /nfs/dbraw/zinc/84/91/80/619849180.db2.gz GCRDDZUFRKUOAU-UHFFFAOYSA-N 1 0 318.377 3.431 20 5 DGBDRO C[C@@H]1C[NH2+]C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000903963656 619849363 /nfs/dbraw/zinc/84/93/63/619849363.db2.gz DPUXPOPHIQZAAQ-IAQYHMDHSA-N 1 0 317.414 3.021 20 5 DGBDRO CC(C)(CCc1noc([C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)n1)[N+](=O)[O-] ZINC000904121377 619880683 /nfs/dbraw/zinc/88/06/83/619880683.db2.gz PDIGXYVMXJQKBF-XQQFMLRXSA-N 1 0 322.409 3.041 20 5 DGBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc(F)c(C[NH2+]C3CC3)c2)c1 ZINC000904795999 619952010 /nfs/dbraw/zinc/95/20/10/619952010.db2.gz FLDOIKKXQSCNEZ-UHFFFAOYSA-N 1 0 316.332 3.145 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000905645304 620016199 /nfs/dbraw/zinc/01/61/99/620016199.db2.gz WBEFWAAGKAIRPO-RDTXWAMCSA-N 1 0 314.385 3.330 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@H]2CCC(F)(F)C2)c1 ZINC000905674238 620017569 /nfs/dbraw/zinc/01/75/69/620017569.db2.gz GJTCGCYIZARDSU-RISCZKNCSA-N 1 0 314.332 3.043 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CCCO)cc1[N+](=O)[O-] ZINC000924842675 620348860 /nfs/dbraw/zinc/34/88/60/620348860.db2.gz UKZBDCNGLOFWHA-CABCVRRESA-N 1 0 322.405 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC3(CCOC3)CC2)c1 ZINC000761060922 620506284 /nfs/dbraw/zinc/50/62/84/620506284.db2.gz YRHJQOSZQYRICV-UHFFFAOYSA-N 1 0 310.781 3.251 20 5 DGBDRO Cc1cnc(Cl)c(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000921790893 620949919 /nfs/dbraw/zinc/94/99/19/620949919.db2.gz GFCRHARRUPJHLX-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO Cc1cnc(Cl)c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000921939781 620970691 /nfs/dbraw/zinc/97/06/91/620970691.db2.gz HDGPILHCCPODAU-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO C[C@@](O)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000114508182 621008197 /nfs/dbraw/zinc/00/81/97/621008197.db2.gz ROERFWKAGWJLGJ-PDFOZTTASA-N 1 0 312.369 3.105 20 5 DGBDRO Cn1cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC000856789430 621022058 /nfs/dbraw/zinc/02/20/58/621022058.db2.gz LBZKZMQGBYWHNG-UHFFFAOYSA-N 1 0 308.769 3.007 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2cnn(CC3CCC3)c2)cc1[N+](=O)[O-] ZINC000922316385 621022818 /nfs/dbraw/zinc/02/28/18/621022818.db2.gz MZTAUEFZDCZHIX-UHFFFAOYSA-N 1 0 314.389 3.190 20 5 DGBDRO Cc1nn(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000115512808 621116721 /nfs/dbraw/zinc/11/67/21/621116721.db2.gz BCUWTYPGKNETJA-LRDDRELGSA-N 1 0 314.389 3.244 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c(F)c1 ZINC000922898350 621128654 /nfs/dbraw/zinc/12/86/54/621128654.db2.gz UYDKILHMEARSEF-CZUORRHYSA-N 1 0 308.353 3.029 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)cc1 ZINC000922959498 621137131 /nfs/dbraw/zinc/13/71/31/621137131.db2.gz FOHYQWCMYHVSSR-GOSISDBHSA-N 1 0 312.369 3.390 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C2([C@H]3CCCCO3)CC2)ccc1Cl ZINC000923026552 621148822 /nfs/dbraw/zinc/14/88/22/621148822.db2.gz AWOLAHLSIXBZCD-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000788114735 621275762 /nfs/dbraw/zinc/27/57/62/621275762.db2.gz IEJXKGCYPVWFBM-RYUDHWBXSA-N 1 0 324.764 3.032 20 5 DGBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000788114737 621275919 /nfs/dbraw/zinc/27/59/19/621275919.db2.gz IEJXKGCYPVWFBM-VXGBXAGGSA-N 1 0 324.764 3.032 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000859585347 621295200 /nfs/dbraw/zinc/29/52/00/621295200.db2.gz NYEMQAUNIRUIQT-SFHVURJKSA-N 1 0 312.369 3.078 20 5 DGBDRO C[NH+](C)CC(C)(C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000839093961 621327662 /nfs/dbraw/zinc/32/76/62/621327662.db2.gz KLRIKGFYOXZHAL-UHFFFAOYSA-N 1 0 320.220 3.331 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000756902439 621671605 /nfs/dbraw/zinc/67/16/05/621671605.db2.gz SNRLBVPWDFRDHH-RISCZKNCSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000756903082 621672025 /nfs/dbraw/zinc/67/20/25/621672025.db2.gz ZIISGRHOSMQKKK-ABAIWWIYSA-N 1 0 310.781 3.249 20 5 DGBDRO CC(C)CO[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000119618173 621706669 /nfs/dbraw/zinc/70/66/69/621706669.db2.gz VARKNURIFRJWSH-AWEZNQCLSA-N 1 0 312.797 3.495 20 5 DGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000757797335 621740250 /nfs/dbraw/zinc/74/02/50/621740250.db2.gz VINCTHCUNHZYHP-RNCFNFMXSA-N 1 0 318.402 3.099 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000864359353 621760293 /nfs/dbraw/zinc/76/02/93/621760293.db2.gz OXCKJGLPFRSSGK-NWDGAFQWSA-N 1 0 311.332 3.111 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000758998508 621817383 /nfs/dbraw/zinc/81/73/83/621817383.db2.gz CMIYPTIHXONEGE-GFCCVEGCSA-N 1 0 302.378 3.270 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000120273635 621823356 /nfs/dbraw/zinc/82/33/56/621823356.db2.gz GFKLWXHBYLQRDF-HNNXBMFYSA-N 1 0 322.368 3.392 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000865788123 621995930 /nfs/dbraw/zinc/99/59/30/621995930.db2.gz ZLRKVRCOGHCFGH-AAEUAGOBSA-N 1 0 318.295 3.103 20 5 DGBDRO CN1Cc2ccccc2[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000865807686 621998990 /nfs/dbraw/zinc/99/89/90/621998990.db2.gz WIQKPEVWSCLYMR-AIADIJKESA-N 1 0 323.396 3.384 20 5 DGBDRO CO[C@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000761512370 622013611 /nfs/dbraw/zinc/01/36/11/622013611.db2.gz RNOMZLQIGAKVQT-LLVKDONJSA-N 1 0 300.786 3.494 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000761507800 622013756 /nfs/dbraw/zinc/01/37/56/622013756.db2.gz XRHDCATUWKSIDX-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866222540 622069152 /nfs/dbraw/zinc/06/91/52/622069152.db2.gz IUGJHKMCHDYTRH-NWDGAFQWSA-N 1 0 306.337 3.479 20 5 DGBDRO Cc1nc(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000866226726 622070461 /nfs/dbraw/zinc/07/04/61/622070461.db2.gz RSKADPDMYIHIFT-JTQLQIEISA-N 1 0 323.393 3.262 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)CC(C)(C)C ZINC000866270423 622080814 /nfs/dbraw/zinc/08/08/14/622080814.db2.gz XQQJJHUXKUWNGQ-BXUZGUMPSA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000866272614 622081923 /nfs/dbraw/zinc/08/19/23/622081923.db2.gz XWOOZPGDTKLOBG-SUZRMVIJSA-N 1 0 322.380 3.068 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000866272618 622082212 /nfs/dbraw/zinc/08/22/12/622082212.db2.gz XWOOZPGDTKLOBG-YEHMFOAPSA-N 1 0 322.380 3.068 20 5 DGBDRO CSC(C)(C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866276717 622083312 /nfs/dbraw/zinc/08/33/12/622083312.db2.gz UJBFVZRWNISJFE-SNVBAGLBSA-N 1 0 300.399 3.396 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000866277227 622083394 /nfs/dbraw/zinc/08/33/94/622083394.db2.gz KRFSDEWUXJLOMK-LRDDRELGSA-N 1 0 324.396 3.460 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000866284809 622084664 /nfs/dbraw/zinc/08/46/64/622084664.db2.gz BCXNCJRTYAHPMB-HVDRQEDPSA-N 1 0 322.380 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000866335989 622096357 /nfs/dbraw/zinc/09/63/57/622096357.db2.gz GQTGLXNBSDSKHJ-DYEKYZERSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CCCCO1 ZINC000866338077 622096743 /nfs/dbraw/zinc/09/67/43/622096743.db2.gz WVXXTKXUVFBAEG-SWLSCSKDSA-N 1 0 310.369 3.214 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CCCCO1 ZINC000866338076 622096767 /nfs/dbraw/zinc/09/67/67/622096767.db2.gz WVXXTKXUVFBAEG-IUODEOHRSA-N 1 0 310.369 3.214 20 5 DGBDRO CCc1noc(C)c1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866365791 622104283 /nfs/dbraw/zinc/10/42/83/622104283.db2.gz XTDWQMAVRCTVCL-JTQLQIEISA-N 1 0 321.352 3.314 20 5 DGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866368782 622104692 /nfs/dbraw/zinc/10/46/92/622104692.db2.gz GTZWATRFYAEPMP-SGIREYDYSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC1(C)C ZINC000866391966 622109373 /nfs/dbraw/zinc/10/93/73/622109373.db2.gz ULEIMAXKVQYIOF-WCQYABFASA-N 1 0 310.369 3.070 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000866512016 622129820 /nfs/dbraw/zinc/12/98/20/622129820.db2.gz HHZINDHWSFOGOH-OWQGQXMQSA-N 1 0 316.401 3.377 20 5 DGBDRO C[C@@H](CCC(C)(C)C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945303 622196020 /nfs/dbraw/zinc/19/60/20/622196020.db2.gz TUGNGNWORUVCBU-YVEFUNNKSA-N 1 0 321.421 3.100 20 5 DGBDRO Cc1nn(C[N@@H+]2CCCC(C)(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764994785 622238557 /nfs/dbraw/zinc/23/85/57/622238557.db2.gz IDBDYRDOUHOFGM-UHFFFAOYSA-N 1 0 302.378 3.332 20 5 DGBDRO Cc1occc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765397866 622262940 /nfs/dbraw/zinc/26/29/40/622262940.db2.gz UMUJIXQWIZGZAA-UHFFFAOYSA-N 1 0 315.373 3.255 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1C ZINC000765635913 622278868 /nfs/dbraw/zinc/27/88/68/622278868.db2.gz NWLGHJAXZCKPJW-MNOVXSKESA-N 1 0 320.418 3.123 20 5 DGBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848606 622291411 /nfs/dbraw/zinc/29/14/11/622291411.db2.gz IOMKBRMKUOWGJG-WQVCFCJDSA-N 1 0 306.406 3.433 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@H]1C ZINC000766380670 622325682 /nfs/dbraw/zinc/32/56/82/622325682.db2.gz KAYDNQINTLDDFQ-ZIAGYGMSSA-N 1 0 314.389 3.394 20 5 DGBDRO CCC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000766736007 622350088 /nfs/dbraw/zinc/35/00/88/622350088.db2.gz XXZQVFLNPRMLQZ-RDJZCZTQSA-N 1 0 315.373 3.154 20 5 DGBDRO C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC12CCC2 ZINC000770672171 622659853 /nfs/dbraw/zinc/65/98/53/622659853.db2.gz ZEWMUFOLAIQCLA-ZDUSSCGKSA-N 1 0 314.389 3.414 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCn1cccn1 ZINC000872020194 622755378 /nfs/dbraw/zinc/75/53/78/622755378.db2.gz DZCGRUIXQOTVBR-LBPRGKRZSA-N 1 0 320.418 3.254 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)c1ccco1 ZINC000872021103 622756280 /nfs/dbraw/zinc/75/62/80/622756280.db2.gz OFPVDFDUOUDKOY-MFKMUULPSA-N 1 0 322.386 3.294 20 5 DGBDRO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025220 622759064 /nfs/dbraw/zinc/75/90/64/622759064.db2.gz IKUVZCXBDHZCGR-XQQFMLRXSA-N 1 0 307.369 3.011 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872024967 622759300 /nfs/dbraw/zinc/75/93/00/622759300.db2.gz XRUVQVKQYJAIHW-BLLLJJGKSA-N 1 0 318.348 3.427 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)CC(C)C ZINC000872029813 622762199 /nfs/dbraw/zinc/76/21/99/622762199.db2.gz TWNOJXSRPMINRX-DGCLKSJQSA-N 1 0 312.435 3.374 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872032662 622763946 /nfs/dbraw/zinc/76/39/46/622763946.db2.gz XONMARZHAWHQKJ-NWDGAFQWSA-N 1 0 320.368 3.226 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872032000 622764003 /nfs/dbraw/zinc/76/40/03/622764003.db2.gz OVESBYNCDDTEHK-AWEZNQCLSA-N 1 0 320.389 3.185 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(C)CCOC1 ZINC000872034476 622764863 /nfs/dbraw/zinc/76/48/63/622764863.db2.gz JJWSEWCZMQHHTM-XHDPSFHLSA-N 1 0 310.419 3.394 20 5 DGBDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872042032 622770251 /nfs/dbraw/zinc/77/02/51/622770251.db2.gz MGEVHAXENNCVJW-NWDGAFQWSA-N 1 0 312.435 3.376 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1F ZINC000872045546 622772258 /nfs/dbraw/zinc/77/22/58/622772258.db2.gz OEIXPVBRUHRKDL-NSHDSACASA-N 1 0 320.320 3.169 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000872048373 622774549 /nfs/dbraw/zinc/77/45/49/622774549.db2.gz YSEKWLRQOBSAOQ-VXGBXAGGSA-N 1 0 320.418 3.253 20 5 DGBDRO Cc1ncc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872051018 622776476 /nfs/dbraw/zinc/77/64/76/622776476.db2.gz DRNRUJWANITIQY-VIFPVBQESA-N 1 0 309.366 3.392 20 5 DGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(O)ccc1F ZINC000872052231 622777228 /nfs/dbraw/zinc/77/72/28/622777228.db2.gz RIZRGLBJQHUAHF-LLVKDONJSA-N 1 0 304.321 3.333 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872054231 622779311 /nfs/dbraw/zinc/77/93/11/622779311.db2.gz RQMBAUDPWKXQRF-IRHXVLAXSA-N 1 0 320.364 3.342 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000872064890 622785717 /nfs/dbraw/zinc/78/57/17/622785717.db2.gz OQHDATPNFBJPHU-GVXVVHGQSA-N 1 0 310.419 3.128 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000872064961 622785837 /nfs/dbraw/zinc/78/58/37/622785837.db2.gz PWPIDMBEAONIAN-SWHYSGLUSA-N 1 0 310.419 3.271 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000872078783 622793086 /nfs/dbraw/zinc/79/30/86/622793086.db2.gz JSHBSCXNZSLXOW-DDTOSNHZSA-N 1 0 308.353 3.342 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000872085691 622797199 /nfs/dbraw/zinc/79/71/99/622797199.db2.gz OSTFYMASSDYYSV-LKTVYLICSA-N 1 0 322.430 3.271 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)CC1CC1 ZINC000872085846 622797393 /nfs/dbraw/zinc/79/73/93/622797393.db2.gz QARNULVECGJGHD-YPMHNXCESA-N 1 0 324.446 3.376 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000872085690 622797582 /nfs/dbraw/zinc/79/75/82/622797582.db2.gz OSTFYMASSDYYSV-COLVAYQJSA-N 1 0 322.430 3.271 20 5 DGBDRO C[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089792 622800038 /nfs/dbraw/zinc/80/00/38/622800038.db2.gz FGSIXEFTDRVYQL-OCCSQVGLSA-N 1 0 321.396 3.401 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872107347 622809393 /nfs/dbraw/zinc/80/93/93/622809393.db2.gz LPSKDZWEDVOFBP-OXIQGZBJSA-N 1 0 308.353 3.342 20 5 DGBDRO CCC[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000872113387 622814789 /nfs/dbraw/zinc/81/47/89/622814789.db2.gz PAVCMZUTEHEDDA-CJNGLKHVSA-N 1 0 320.389 3.369 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000872129571 622824022 /nfs/dbraw/zinc/82/40/22/622824022.db2.gz LOTMMYZQRJHCKE-GBIKHYSHSA-N 1 0 318.295 3.355 20 5 DGBDRO Cc1nccnc1[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000872131537 622825338 /nfs/dbraw/zinc/82/53/38/622825338.db2.gz WHJQPYNYMDOCCG-PWSUYJOCSA-N 1 0 318.352 3.114 20 5 DGBDRO [NH3+]C[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])c2ccccc21 ZINC000872153945 622835640 /nfs/dbraw/zinc/83/56/40/622835640.db2.gz KJVQGLTULZBWGF-GFCCVEGCSA-N 1 0 315.348 3.187 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872253830 622867967 /nfs/dbraw/zinc/86/79/67/622867967.db2.gz KLBVPTWSHLJXNS-AWEZNQCLSA-N 1 0 314.332 3.068 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCCCC3)CC2)n1 ZINC000872665272 622950077 /nfs/dbraw/zinc/95/00/77/622950077.db2.gz PGSGSVFUKBHJEU-UHFFFAOYSA-N 1 0 318.421 3.143 20 5 DGBDRO CC1(C)C[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772982035 622960521 /nfs/dbraw/zinc/96/05/21/622960521.db2.gz SFLZBHQMUYDVRD-CYBMUJFWSA-N 1 0 303.406 3.199 20 5 DGBDRO Cc1cc(N2CC[C@@H](C(C)(C)O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000872782195 622977873 /nfs/dbraw/zinc/97/78/73/622977873.db2.gz LCOANLSXGBDQJB-GFCCVEGCSA-N 1 0 315.373 3.049 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000873006958 623015458 /nfs/dbraw/zinc/01/54/58/623015458.db2.gz DLUVSXYUMIYTBX-QGZVFWFLSA-N 1 0 300.358 3.035 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1cn2ccccc2n1 ZINC000873009831 623017319 /nfs/dbraw/zinc/01/73/19/623017319.db2.gz BQYXLIFHPUIVQR-UHFFFAOYSA-N 1 0 324.384 3.192 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873043762 623024749 /nfs/dbraw/zinc/02/47/49/623024749.db2.gz SITOYAIDSZHCEG-LBPRGKRZSA-N 1 0 316.405 3.142 20 5 DGBDRO Cc1cccc([C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000873080509 623032774 /nfs/dbraw/zinc/03/27/74/623032774.db2.gz QFWRHTUUISSEAV-QGZVFWFLSA-N 1 0 300.358 3.035 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CN(C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000873098899 623035610 /nfs/dbraw/zinc/03/56/10/623035610.db2.gz WLWPEBSXSNIMCB-KRWDZBQOSA-N 1 0 311.385 3.180 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000873137289 623046540 /nfs/dbraw/zinc/04/65/40/623046540.db2.gz UIEKVCQYCCJZSE-WMZOPIPTSA-N 1 0 312.369 3.480 20 5 DGBDRO Cc1c(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873148700 623049813 /nfs/dbraw/zinc/04/98/13/623049813.db2.gz GQMJKZFRONSJNV-NVXWUHKLSA-N 1 0 304.390 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1 ZINC000873156605 623055423 /nfs/dbraw/zinc/05/54/23/623055423.db2.gz LMNMAVDSCAZIMK-VZJVUDMVSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[C@H](O)C3)s2)cc1 ZINC000873177358 623063343 /nfs/dbraw/zinc/06/33/43/623063343.db2.gz HPDOSCSOWAJLKB-YEORSEQZSA-N 1 0 318.398 3.184 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000873193997 623069839 /nfs/dbraw/zinc/06/98/39/623069839.db2.gz PWWPBMBNCMGQTD-DLBZAZTESA-N 1 0 300.358 3.197 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(N)cc(F)c2)cc1[N+](=O)[O-] ZINC000873288217 623104251 /nfs/dbraw/zinc/10/42/51/623104251.db2.gz YBYJUBFBJOANJO-NSHDSACASA-N 1 0 303.337 3.475 20 5 DGBDRO C[NH+](C)CCN(Cc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000774534732 623157094 /nfs/dbraw/zinc/15/70/94/623157094.db2.gz QCSLFOVNDRGGEF-UHFFFAOYSA-N 1 0 305.403 3.225 20 5 DGBDRO C[N@@H+](Cc1ccccc1Cl)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272494 623405297 /nfs/dbraw/zinc/40/52/97/623405297.db2.gz UIWSXQMIZSANET-MRXNPFEDSA-N 1 0 320.776 3.414 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000776276879 623406073 /nfs/dbraw/zinc/40/60/73/623406073.db2.gz KYVYKQIDGKMLMI-DLBZAZTESA-N 1 0 304.390 3.283 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCc3sccc3C2)cc1 ZINC000776583333 623442895 /nfs/dbraw/zinc/44/28/95/623442895.db2.gz ZYZFEDPBCDVUMG-OAHLLOKOSA-N 1 0 318.398 3.138 20 5 DGBDRO C[C@@H](c1ccco1)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776590083 623444138 /nfs/dbraw/zinc/44/41/38/623444138.db2.gz BYXTZSXXANYEPB-BLLLJJGKSA-N 1 0 316.357 3.447 20 5 DGBDRO CC(C)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000776604242 623446164 /nfs/dbraw/zinc/44/61/64/623446164.db2.gz AIRKEUYLNHOHGJ-MRXNPFEDSA-N 1 0 318.348 3.292 20 5 DGBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc2c[nH+]cn2c1 ZINC000790437658 625652681 /nfs/dbraw/zinc/65/26/81/625652681.db2.gz HXCQEJUIOQPDLV-UHFFFAOYSA-N 1 0 316.704 3.148 20 5 DGBDRO Cc1ccc(COC(=O)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000875769451 623490766 /nfs/dbraw/zinc/49/07/66/623490766.db2.gz OWJIFEKYALWWOW-UHFFFAOYSA-N 1 0 320.389 3.067 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOC1CCC1)C1CC1 ZINC000777121178 623498489 /nfs/dbraw/zinc/49/84/89/623498489.db2.gz LYANABAGLQHFCR-MRXNPFEDSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777950128 623588912 /nfs/dbraw/zinc/58/89/12/623588912.db2.gz HCLUKHBRZUZAEA-ZDUSSCGKSA-N 1 0 300.362 3.148 20 5 DGBDRO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000778245436 623631660 /nfs/dbraw/zinc/63/16/60/623631660.db2.gz LPEHYJWEUXMUHO-NHYWBVRUSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1Cl ZINC000876889263 623737487 /nfs/dbraw/zinc/73/74/87/623737487.db2.gz ZIHIKJXPHPJIMC-UNXYVOJBSA-N 1 0 320.780 3.499 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3CCCCCCC3)C2)c1 ZINC000876952492 623753270 /nfs/dbraw/zinc/75/32/70/623753270.db2.gz QVQLVRSPWKCBKD-UHFFFAOYSA-N 1 0 306.410 3.445 20 5 DGBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CC(n3cc([N+](=O)[O-])cn3)C1)CC2 ZINC000877015632 623766643 /nfs/dbraw/zinc/76/66/43/623766643.db2.gz XMYZLQYHVGXYGH-KVULBXGLSA-N 1 0 312.373 3.080 20 5 DGBDRO CS[C@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877068395 623782344 /nfs/dbraw/zinc/78/23/44/623782344.db2.gz QMWQQJPPZQKJHQ-KOLCDFICSA-N 1 0 307.375 3.110 20 5 DGBDRO CCS[C@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877086274 623788122 /nfs/dbraw/zinc/78/81/22/623788122.db2.gz ZYIDNUFCKDUAMK-CLTVBZQCSA-N 1 0 324.450 3.149 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)ccc1F ZINC000877086090 623788295 /nfs/dbraw/zinc/78/82/95/623788295.db2.gz YVGPQRMGZBQPDW-LMWSTFAQSA-N 1 0 318.352 3.293 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000877507549 623916021 /nfs/dbraw/zinc/91/60/21/623916021.db2.gz PECBBRQJXSCPKQ-IAGOWNOFSA-N 1 0 304.390 3.355 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877590208 623953879 /nfs/dbraw/zinc/95/38/79/623953879.db2.gz UQLSBWACRPRISI-BBNOBNGHSA-N 1 0 306.410 3.299 20 5 DGBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1F ZINC000877617518 623964192 /nfs/dbraw/zinc/96/41/92/623964192.db2.gz QDNUSYIVEVNQAN-ZEPSKSRBSA-N 1 0 318.352 3.375 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877741469 624014025 /nfs/dbraw/zinc/01/40/25/624014025.db2.gz VWSKWCAIFAWCQF-OGCZOTBESA-N 1 0 304.415 3.293 20 5 DGBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000877797040 624038617 /nfs/dbraw/zinc/03/86/17/624038617.db2.gz OUVOLNZNAHETQG-GFCCVEGCSA-N 1 0 312.797 3.231 20 5 DGBDRO COCC(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877806167 624040491 /nfs/dbraw/zinc/04/04/91/624040491.db2.gz UZOPKRAOBDTCMO-UHFFFAOYSA-N 1 0 300.786 3.401 20 5 DGBDRO C[C@]1(C(F)(F)F)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877812197 624044894 /nfs/dbraw/zinc/04/48/94/624044894.db2.gz JCEDYEBMPMVTPB-ZDUSSCGKSA-N 1 0 302.296 3.412 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877935805 624100686 /nfs/dbraw/zinc/10/06/86/624100686.db2.gz WIGXJSDCCDUXNY-LBPRGKRZSA-N 1 0 316.361 3.409 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878332383 624247309 /nfs/dbraw/zinc/24/73/09/624247309.db2.gz NYBBQKQTRCANIP-NEPJUHHUSA-N 1 0 316.361 3.123 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878414036 624271999 /nfs/dbraw/zinc/27/19/99/624271999.db2.gz IBJWUSULEBWCNY-DGCLKSJQSA-N 1 0 316.361 3.313 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878508869 624293483 /nfs/dbraw/zinc/29/34/83/624293483.db2.gz VEURPGJKDXIJGB-DGCLKSJQSA-N 1 0 316.361 3.313 20 5 DGBDRO C[C@H]1C[C@H](C)N1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878532552 624300336 /nfs/dbraw/zinc/30/03/36/624300336.db2.gz FUFNPUHXSNJIOA-IUCAKERBSA-N 1 0 322.752 3.281 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC2(CCC2)CO1 ZINC000878598370 624318113 /nfs/dbraw/zinc/31/81/13/624318113.db2.gz FOTCVXMLPGZISP-OAHLLOKOSA-N 1 0 304.390 3.028 20 5 DGBDRO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000878679305 624338284 /nfs/dbraw/zinc/33/82/84/624338284.db2.gz YUJRGFIZSZHUMV-UNEWFSDZSA-N 1 0 304.390 3.199 20 5 DGBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)(C)O ZINC000783558951 624365556 /nfs/dbraw/zinc/36/55/56/624365556.db2.gz MCASYHWXIFECFT-UHFFFAOYSA-N 1 0 300.786 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000783572569 624368229 /nfs/dbraw/zinc/36/82/29/624368229.db2.gz KAZOKKYQQHIEMU-QWHCGFSZSA-N 1 0 310.781 3.107 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CCO)CCCC2)cc1Cl ZINC000783640019 624378381 /nfs/dbraw/zinc/37/83/81/624378381.db2.gz ZNMPCNRSOYTSEU-UHFFFAOYSA-N 1 0 312.797 3.281 20 5 DGBDRO C[C@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000783776789 624395259 /nfs/dbraw/zinc/39/52/59/624395259.db2.gz MOQPKQHMYBLNAR-RQJABVFESA-N 1 0 320.389 3.460 20 5 DGBDRO C[C@H](CO)[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000805752098 624396592 /nfs/dbraw/zinc/39/65/92/624396592.db2.gz XYOKYJKLIAJQQZ-LLVKDONJSA-N 1 0 312.797 3.374 20 5 DGBDRO Cc1nn(C[N@H+](C)C[C@@H]2CC=CCC2)c2ccc([N+](=O)[O-])cc12 ZINC000784008769 624419860 /nfs/dbraw/zinc/41/98/60/624419860.db2.gz HYHWKTUXVBDWQE-CQSZACIVSA-N 1 0 314.389 3.499 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccc1Cl ZINC000879418388 624540881 /nfs/dbraw/zinc/54/08/81/624540881.db2.gz HKSALSNBPQSKCT-NOLJZWGESA-N 1 0 324.808 3.374 20 5 DGBDRO C[C@]1(C(F)(F)F)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879999582 624745771 /nfs/dbraw/zinc/74/57/71/624745771.db2.gz FOMCIWULGQOLTJ-ZDUSSCGKSA-N 1 0 318.295 3.248 20 5 DGBDRO Cc1csc([C@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000880011087 624752337 /nfs/dbraw/zinc/75/23/37/624752337.db2.gz LPVCPWCSGKPISA-NSHDSACASA-N 1 0 321.377 3.488 20 5 DGBDRO C[C@@H]1c2sccc2CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880376971 624943043 /nfs/dbraw/zinc/94/30/43/624943043.db2.gz NCKOTICJXLEKTN-ABAIWWIYSA-N 1 0 318.398 3.309 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000786805158 624954775 /nfs/dbraw/zinc/95/47/75/624954775.db2.gz LYJROIPZSCBSTJ-CQSZACIVSA-N 1 0 305.378 3.084 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)c1ccco1 ZINC000786810776 624955466 /nfs/dbraw/zinc/95/54/66/624955466.db2.gz ANMXQMOUMDYOGI-GQPJMJRUSA-N 1 0 316.357 3.088 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@]23CCCO3)c1 ZINC000880510262 624969832 /nfs/dbraw/zinc/96/98/32/624969832.db2.gz YYSDAJYLGFVQAF-CABCVRRESA-N 1 0 310.781 3.440 20 5 DGBDRO C[C@@H]([NH2+]CCc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788505831 625201510 /nfs/dbraw/zinc/20/15/10/625201510.db2.gz KSGUSPRDEZQUEU-LLVKDONJSA-N 1 0 303.337 3.209 20 5 DGBDRO C[C@H]([NH2+]C[C@H](C)N1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788527744 625207517 /nfs/dbraw/zinc/20/75/17/625207517.db2.gz OZHUWYYUJBXQPR-RDBSUJKOSA-N 1 0 320.437 3.091 20 5 DGBDRO C[C@H]1CCCN1CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788584246 625220176 /nfs/dbraw/zinc/22/01/76/625220176.db2.gz IGFKWCBHFVYCMG-GUYCJALGSA-N 1 0 317.433 3.391 20 5 DGBDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788604033 625225332 /nfs/dbraw/zinc/22/53/32/625225332.db2.gz SNBVFGHIQIOSOC-MLGOLLRUSA-N 1 0 309.410 3.015 20 5 DGBDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788604034 625225510 /nfs/dbraw/zinc/22/55/10/625225510.db2.gz SNBVFGHIQIOSOC-WBMJQRKESA-N 1 0 309.410 3.015 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613413 625229501 /nfs/dbraw/zinc/22/95/01/625229501.db2.gz WQMISGCCHDYWRQ-DZGCQCFKSA-N 1 0 320.437 3.092 20 5 DGBDRO COC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC(C)CC1 ZINC000788804514 625272581 /nfs/dbraw/zinc/27/25/81/625272581.db2.gz IMVIRYRTRYKRRI-JZLYGMAVSA-N 1 0 321.421 3.423 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2C(C)=O)CC1 ZINC000882545610 625751465 /nfs/dbraw/zinc/75/14/65/625751465.db2.gz KQNAMSOZRMPOGJ-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO CC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000882964400 625877866 /nfs/dbraw/zinc/87/78/66/625877866.db2.gz BRLGPUUGLGBUJK-UHFFFAOYSA-N 1 0 309.797 3.313 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc3occc3c2)cc1 ZINC000796286353 626035107 /nfs/dbraw/zinc/03/51/07/626035107.db2.gz CZDFXDDMMUJKBQ-INIZCTEOSA-N 1 0 312.325 3.164 20 5 DGBDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000796481505 626054891 /nfs/dbraw/zinc/05/48/91/626054891.db2.gz HULFWHCJJMICQR-XHDPSFHLSA-N 1 0 306.387 3.176 20 5 DGBDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000796485940 626055675 /nfs/dbraw/zinc/05/56/75/626055675.db2.gz PCGVRICDIDYGJU-SUMWQHHRSA-N 1 0 300.358 3.115 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000796576058 626063338 /nfs/dbraw/zinc/06/33/38/626063338.db2.gz RLBQIPQMMFEPDN-ZBFHGGJFSA-N 1 0 306.406 3.386 20 5 DGBDRO C[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[C@H]21 ZINC000796840404 626088728 /nfs/dbraw/zinc/08/87/28/626088728.db2.gz WWENWQIQBNJRRV-CWRNSKLLSA-N 1 0 323.824 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC23CCOCC3)c1 ZINC000800482058 626363934 /nfs/dbraw/zinc/36/39/34/626363934.db2.gz NYODZEYFAHXTGN-CQSZACIVSA-N 1 0 310.781 3.297 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800846614 626378532 /nfs/dbraw/zinc/37/85/32/626378532.db2.gz PTMJFDAWPXFOPC-NFAWXSAZSA-N 1 0 318.421 3.019 20 5 DGBDRO Cc1ccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000801540860 626408996 /nfs/dbraw/zinc/40/89/96/626408996.db2.gz FTOMJNUJGKPLRK-UHFFFAOYSA-N 1 0 303.337 3.462 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)COC2 ZINC000801600695 626411660 /nfs/dbraw/zinc/41/16/60/626411660.db2.gz SYGPQKDCCGMFLD-UHFFFAOYSA-N 1 0 312.369 3.300 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](OC(F)F)C2)cc1Cl ZINC000802659224 626565936 /nfs/dbraw/zinc/56/59/36/626565936.db2.gz WXWAJSNISSNRML-VIFPVBQESA-N 1 0 306.696 3.062 20 5 DGBDRO Cn1cc(C[NH2+]C[C@@H]2C=CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000883238430 626619866 /nfs/dbraw/zinc/61/98/66/626619866.db2.gz BTTUJDZNVNXDQC-CYBMUJFWSA-N 1 0 312.373 3.051 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1(c3ncccn3)CCC1)CCC2 ZINC000883312257 626642242 /nfs/dbraw/zinc/64/22/42/626642242.db2.gz YGZIPDCIUAAYRG-MRXNPFEDSA-N 1 0 324.384 3.431 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000883352434 626657296 /nfs/dbraw/zinc/65/72/96/626657296.db2.gz ASEOLAOZFGVYPM-WHOFXGATSA-N 1 0 307.394 3.033 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883367479 626663801 /nfs/dbraw/zinc/66/38/01/626663801.db2.gz QFIAEQOMBNCXFF-UAGQMJEPSA-N 1 0 302.374 3.273 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCC2(COC2)CC1 ZINC000883382418 626667343 /nfs/dbraw/zinc/66/73/43/626667343.db2.gz GSJFJMDYIUGTND-OAHLLOKOSA-N 1 0 302.374 3.131 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+](C(C)C)C(C)C ZINC000804321927 626669098 /nfs/dbraw/zinc/66/90/98/626669098.db2.gz OKGKRLPYQLPWAI-UHFFFAOYSA-N 1 0 307.394 3.328 20 5 DGBDRO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000804349998 626672341 /nfs/dbraw/zinc/67/23/41/626672341.db2.gz SUVULSQGCUYFEV-NWDGAFQWSA-N 1 0 322.365 3.035 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CCN(c2ccccn2)C1 ZINC000804571567 626693816 /nfs/dbraw/zinc/69/38/16/626693816.db2.gz MHRFCXYVYJAGAQ-LBPRGKRZSA-N 1 0 318.764 3.334 20 5 DGBDRO C[C@H](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000804613676 626697605 /nfs/dbraw/zinc/69/76/05/626697605.db2.gz XGGCREYLPMETPB-GFCCVEGCSA-N 1 0 322.365 3.179 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3(F)CCC3)CC2)cc1 ZINC000806174390 626704232 /nfs/dbraw/zinc/70/42/32/626704232.db2.gz WHIGXIMJXYKOJX-UHFFFAOYSA-N 1 0 321.396 3.436 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000132591187 626728218 /nfs/dbraw/zinc/72/82/18/626728218.db2.gz SHWZLEVOHFMEIM-UONOGXRCSA-N 1 0 312.460 3.484 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)C[NH+]1CCCCC1 ZINC000807925083 626778304 /nfs/dbraw/zinc/77/83/04/626778304.db2.gz HCVQYPVVFIYQAU-LBPRGKRZSA-N 1 0 305.378 3.084 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000807989330 626783013 /nfs/dbraw/zinc/78/30/13/626783013.db2.gz LVQOMPOVFIUGHB-OLZOCXBDSA-N 1 0 305.378 3.082 20 5 DGBDRO CC(C)c1ccc(C(=O)OCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000800211775 626826013 /nfs/dbraw/zinc/82/60/13/626826013.db2.gz MCRCCLHUZWNQQH-UHFFFAOYSA-N 1 0 320.389 3.361 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000884716963 626934740 /nfs/dbraw/zinc/93/47/40/626934740.db2.gz OEHAXSRIESUNPH-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000884718280 626935404 /nfs/dbraw/zinc/93/54/04/626935404.db2.gz ZVPLYBLKPFQVEH-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000884718381 626935633 /nfs/dbraw/zinc/93/56/33/626935633.db2.gz CJRRBEUKAXEQKI-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000810179989 626984938 /nfs/dbraw/zinc/98/49/38/626984938.db2.gz KTKZKKZMKQZGRJ-GFCCVEGCSA-N 1 0 313.829 3.458 20 5 DGBDRO Cc1ccc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810557015 627016266 /nfs/dbraw/zinc/01/62/66/627016266.db2.gz BUVGBENOHMYXKT-INIZCTEOSA-N 1 0 323.368 3.054 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000885930977 627063034 /nfs/dbraw/zinc/06/30/34/627063034.db2.gz NEZGSONCBXUCCF-UHFFFAOYSA-N 1 0 311.385 3.445 20 5 DGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@@]12CCOC2 ZINC000885965903 627072518 /nfs/dbraw/zinc/07/25/18/627072518.db2.gz YAXLLUKKQSHDKT-DOTOQJQBSA-N 1 0 304.390 3.232 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000886002190 627080352 /nfs/dbraw/zinc/08/03/52/627080352.db2.gz SOJVNTOCHKDJAD-LBPRGKRZSA-N 1 0 301.321 3.118 20 5 DGBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886030274 627088629 /nfs/dbraw/zinc/08/86/29/627088629.db2.gz IEBKZXXLRFZYCJ-ZBFHGGJFSA-N 1 0 311.385 3.443 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000137008727 627104985 /nfs/dbraw/zinc/10/49/85/627104985.db2.gz XMFSMHUWUIJPEL-SJORKVTESA-N 1 0 304.390 3.283 20 5 DGBDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886184219 627118813 /nfs/dbraw/zinc/11/88/13/627118813.db2.gz WQVKBASPRKDJDY-QGZVFWFLSA-N 1 0 315.348 3.293 20 5 DGBDRO Cc1ccccc1[C@]1(F)CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886190132 627119612 /nfs/dbraw/zinc/11/96/12/627119612.db2.gz BSQRZRVQERQDLK-KRWDZBQOSA-N 1 0 315.348 3.369 20 5 DGBDRO C[C@@]12CC[N@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000886194040 627119660 /nfs/dbraw/zinc/11/96/60/627119660.db2.gz HSXVQQJWIQCROE-CMPLNLGQSA-N 1 0 316.188 3.006 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@]23C[C@H]2COC3)s1 ZINC000886201751 627120788 /nfs/dbraw/zinc/12/07/88/627120788.db2.gz PUGNFCFDFRUFKX-ZBEGNZNMSA-N 1 0 316.382 3.202 20 5 DGBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC2(CCC2)C1 ZINC000886345405 627140787 /nfs/dbraw/zinc/14/07/87/627140787.db2.gz ZJYHRWZXKSMCGT-INIZCTEOSA-N 1 0 304.390 3.424 20 5 DGBDRO Cc1noc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000886618644 627174592 /nfs/dbraw/zinc/17/45/92/627174592.db2.gz GPSAHSZIUNRPCD-CABZTGNLSA-N 1 0 319.283 3.056 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886680692 627188359 /nfs/dbraw/zinc/18/83/59/627188359.db2.gz JYMDJRZEVZEBDN-KGLIPLIRSA-N 1 0 312.373 3.325 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc1Cl ZINC000886822580 627208339 /nfs/dbraw/zinc/20/83/39/627208339.db2.gz RVXRTQFUDYZEOL-DOMZBBRYSA-N 1 0 310.781 3.249 20 5 DGBDRO C[C@H]([NH2+]CC1(C2(O)CCC2)CCC1)c1ccccc1[N+](=O)[O-] ZINC000886976608 627217470 /nfs/dbraw/zinc/21/74/70/627217470.db2.gz GTHNFIVIKKAVDZ-ZDUSSCGKSA-N 1 0 304.390 3.331 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+]C2(C3CC3)CCC2)cccc1[N+](=O)[O-] ZINC000887147536 627229646 /nfs/dbraw/zinc/22/96/46/627229646.db2.gz QOXOVZHQPIVKCB-LBPRGKRZSA-N 1 0 317.389 3.153 20 5 DGBDRO C[C@H](CCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811482195 627280014 /nfs/dbraw/zinc/28/00/14/627280014.db2.gz HIJBBDYHNZTDTC-MRVPVSSYSA-N 1 0 307.177 3.010 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000811866786 627331655 /nfs/dbraw/zinc/33/16/55/627331655.db2.gz JGWUQZWFBDFQEJ-LBPRGKRZSA-N 1 0 307.394 3.330 20 5 DGBDRO Cc1cc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000813145220 627458236 /nfs/dbraw/zinc/45/82/36/627458236.db2.gz HNTUIWSNAMFIGM-INIZCTEOSA-N 1 0 323.368 3.054 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CCO[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000813334212 627479452 /nfs/dbraw/zinc/47/94/52/627479452.db2.gz ZQJZBYYIFFUAMF-QGZVFWFLSA-N 1 0 322.405 3.351 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c(F)c1 ZINC000814299223 627557051 /nfs/dbraw/zinc/55/70/51/627557051.db2.gz UIHZCNKBZQAXAW-HNNXBMFYSA-N 1 0 324.739 3.211 20 5 DGBDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000815148013 627637234 /nfs/dbraw/zinc/63/72/34/627637234.db2.gz ZRVHIRFQPUWZFY-HNNXBMFYSA-N 1 0 312.797 3.279 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554378 627684256 /nfs/dbraw/zinc/68/42/56/627684256.db2.gz YJMROIZVCBXGQH-LLVKDONJSA-N 1 0 319.336 3.046 20 5 DGBDRO C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552566 627684353 /nfs/dbraw/zinc/68/43/53/627684353.db2.gz DZPBQAKHKIQETQ-CYBMUJFWSA-N 1 0 320.437 3.092 20 5 DGBDRO C[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563500 627684848 /nfs/dbraw/zinc/68/48/48/627684848.db2.gz FHBWITWEQGDVNU-LLVKDONJSA-N 1 0 319.336 3.046 20 5 DGBDRO C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561434 627684851 /nfs/dbraw/zinc/68/48/51/627684851.db2.gz HDSYSYJPCAOIBJ-IGCXYCKISA-N 1 0 321.421 3.423 20 5 DGBDRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815590412 627688376 /nfs/dbraw/zinc/68/83/76/627688376.db2.gz VIYGGQICVKHOFQ-VXGBXAGGSA-N 1 0 300.362 3.292 20 5 DGBDRO C[C@H]([NH2+][C@H](CCO)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588858 627688566 /nfs/dbraw/zinc/68/85/66/627688566.db2.gz AQMSXSYMFRBYFX-BLLLJJGKSA-N 1 0 321.421 3.159 20 5 DGBDRO COC1CCC(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815616353 627690816 /nfs/dbraw/zinc/69/08/16/627690816.db2.gz MIGSRZOUDKEJSS-OPFPJEHXSA-N 1 0 321.421 3.423 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815614116 627691150 /nfs/dbraw/zinc/69/11/50/627691150.db2.gz GLQDGSVWQZIYKH-YGRLFVJLSA-N 1 0 307.394 3.174 20 5 DGBDRO C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625496 627692168 /nfs/dbraw/zinc/69/21/68/627692168.db2.gz FKSKYSZLRSINGU-QMMMGPOBSA-N 1 0 303.284 3.170 20 5 DGBDRO Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000924956885 627697151 /nfs/dbraw/zinc/69/71/51/627697151.db2.gz ZHZDRVPMTHPDQY-AWEZNQCLSA-N 1 0 301.346 3.101 20 5 DGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cn2c(n1)CCCC2 ZINC000925154950 627713729 /nfs/dbraw/zinc/71/37/29/627713729.db2.gz SOBSXRFBUIKWSX-ZDUSSCGKSA-N 1 0 314.389 3.021 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CCc2c1nccc2Cl ZINC000925310538 627729012 /nfs/dbraw/zinc/72/90/12/627729012.db2.gz NAGACSYXHHHDKK-CYBMUJFWSA-N 1 0 303.749 3.420 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCc3c2nccc3Cl)cc1 ZINC000925310490 627729192 /nfs/dbraw/zinc/72/91/92/627729192.db2.gz BBRGHXDDHPLMGO-AWEZNQCLSA-N 1 0 303.749 3.420 20 5 DGBDRO C[C@@H]1COC[C@@H](C)C1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925464540 627739487 /nfs/dbraw/zinc/73/94/87/627739487.db2.gz FGIXNYIRKXQERX-ZIAGYGMSSA-N 1 0 306.406 3.178 20 5 DGBDRO Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925640831 627767687 /nfs/dbraw/zinc/76/76/87/627767687.db2.gz JUPKVWLVWJNYMX-AWEZNQCLSA-N 1 0 301.346 3.101 20 5 DGBDRO CCC1([NH3+])CCN([C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000925761343 627790667 /nfs/dbraw/zinc/79/06/67/627790667.db2.gz ZWYYQEWEDLQYJP-MRXNPFEDSA-N 1 0 303.406 3.176 20 5 DGBDRO C[C@@H]1OC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000926303577 627876427 /nfs/dbraw/zinc/87/64/27/627876427.db2.gz NAEUHSSLYSEDSS-VYUIOLGVSA-N 1 0 318.295 3.127 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000926890833 627972629 /nfs/dbraw/zinc/97/26/29/627972629.db2.gz FQBFXVBTSWWDJS-DMRZNYOFSA-N 1 0 304.390 3.451 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926945068 627986676 /nfs/dbraw/zinc/98/66/76/627986676.db2.gz LQJFDWZKXGIPCF-HOTUBEGUSA-N 1 0 318.295 3.452 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCS1 ZINC000927025930 628000278 /nfs/dbraw/zinc/00/02/78/628000278.db2.gz DIERZVCPJQIOSW-AAVRWANBSA-N 1 0 324.450 3.149 20 5 DGBDRO Cc1ccc(NCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000927071301 628007480 /nfs/dbraw/zinc/00/74/80/628007480.db2.gz AMNPCOACTLYRLO-CYBMUJFWSA-N 1 0 300.362 3.061 20 5 DGBDRO Cc1ccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000818978597 628071846 /nfs/dbraw/zinc/07/18/46/628071846.db2.gz NAUHTLAABUNVPO-GOSISDBHSA-N 1 0 314.385 3.077 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000819031343 628081036 /nfs/dbraw/zinc/08/10/36/628081036.db2.gz MFLQFDNJAQKFFA-IAGOWNOFSA-N 1 0 316.332 3.044 20 5 DGBDRO Cc1cccc([C@@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819097391 628092082 /nfs/dbraw/zinc/09/20/82/628092082.db2.gz FPSSDNNKWKDAQT-KSSFIOAISA-N 1 0 314.385 3.330 20 5 DGBDRO Cc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000819230270 628116880 /nfs/dbraw/zinc/11/68/80/628116880.db2.gz UEUDXXHHKOLZTH-INIZCTEOSA-N 1 0 320.776 3.380 20 5 DGBDRO C[C@@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928247536 628132531 /nfs/dbraw/zinc/13/25/31/628132531.db2.gz XBCKHMAEKRPPGA-RQJABVFESA-N 1 0 319.405 3.033 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000819333270 628135060 /nfs/dbraw/zinc/13/50/60/628135060.db2.gz IGSNRRAYZYKVSQ-RYQLBKOJSA-N 1 0 312.369 3.022 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCCC2(F)F)c1 ZINC000819338548 628135434 /nfs/dbraw/zinc/13/54/34/628135434.db2.gz CCHATLRNMYCCRX-GXTWGEPZSA-N 1 0 314.332 3.043 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(C3CCC3)CCC2)cc1 ZINC000819361598 628141477 /nfs/dbraw/zinc/14/14/77/628141477.db2.gz IYSVQENIEZDDRX-MRXNPFEDSA-N 1 0 304.390 3.188 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)cc1 ZINC000819366231 628141834 /nfs/dbraw/zinc/14/18/34/628141834.db2.gz LQDVUFASYVUVHX-BHYGNILZSA-N 1 0 304.390 3.044 20 5 DGBDRO C[C@H]1[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)CC[N@@H+]1C ZINC000928458163 628152928 /nfs/dbraw/zinc/15/29/28/628152928.db2.gz RMPJJCIJLVTICW-UGSOOPFHSA-N 1 0 319.408 3.210 20 5 DGBDRO Cc1cc(-c2noc([C@@H](C(C)C)[C@H](C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000823270343 628544006 /nfs/dbraw/zinc/54/40/06/628544006.db2.gz QBPSXWRGKHWRCM-GWCFXTLKSA-N 1 0 304.350 3.040 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000823960888 628614023 /nfs/dbraw/zinc/61/40/23/628614023.db2.gz GXSVRRQAATYZSC-MRXNPFEDSA-N 1 0 314.389 3.447 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Cl ZINC000824721239 628687146 /nfs/dbraw/zinc/68/71/46/628687146.db2.gz ABXJVUNOZQMFHV-JGGQBBKZSA-N 1 0 324.808 3.374 20 5 DGBDRO CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000824820537 628697554 /nfs/dbraw/zinc/69/75/54/628697554.db2.gz HJUZSRDYEYTYQF-CQSZACIVSA-N 1 0 312.797 3.495 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)ccc1Cl ZINC000824844634 628699611 /nfs/dbraw/zinc/69/96/11/628699611.db2.gz CALPTYSKHNKPQN-XJKSGUPXSA-N 1 0 324.808 3.135 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCC1(CO)CC1 ZINC000825040692 628719598 /nfs/dbraw/zinc/71/95/98/628719598.db2.gz SKOYIMHNXNZBJH-UHFFFAOYSA-N 1 0 319.188 3.154 20 5 DGBDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826790578 628887549 /nfs/dbraw/zinc/88/75/49/628887549.db2.gz KKMVBXWMTDRMEL-GFCCVEGCSA-N 1 0 311.813 3.211 20 5 DGBDRO Cc1ccccc1C1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000829499551 629163065 /nfs/dbraw/zinc/16/30/65/629163065.db2.gz ATCCFNNRSHYBNM-QGZVFWFLSA-N 1 0 312.369 3.216 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000830530729 629281318 /nfs/dbraw/zinc/28/13/18/629281318.db2.gz BPIDIGUOAYPHPZ-MRXNPFEDSA-N 1 0 322.380 3.177 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000830988284 629327601 /nfs/dbraw/zinc/32/76/01/629327601.db2.gz JNBNGWALXYASIY-IRXDYDNUSA-N 1 0 304.390 3.283 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]2CCCO[C@H]21 ZINC000831328885 629363532 /nfs/dbraw/zinc/36/35/32/629363532.db2.gz QTUXIJAAQBXAFC-NILFDRSVSA-N 1 0 308.353 3.027 20 5 DGBDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000832209410 629450667 /nfs/dbraw/zinc/45/06/67/629450667.db2.gz HZXLDRCACPPYMF-LSDHHAIUSA-N 1 0 308.353 3.123 20 5 DGBDRO Cc1ccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000832633566 629501113 /nfs/dbraw/zinc/50/11/13/629501113.db2.gz FXSXXEZORZISSL-SFHVURJKSA-N 1 0 314.385 3.377 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H](C)C1 ZINC000832692707 629504729 /nfs/dbraw/zinc/50/47/29/629504729.db2.gz XUVYRFZRURJQSE-UMPJEAMMSA-N 1 0 306.406 3.433 20 5 DGBDRO CC(C)(C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832727677 629508189 /nfs/dbraw/zinc/50/81/89/629508189.db2.gz WLGVTWNPVSWRDB-CZUORRHYSA-N 1 0 306.406 3.386 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000834387273 629702980 /nfs/dbraw/zinc/70/29/80/629702980.db2.gz DYUOWBUSYMGLEZ-ULQDDVLXSA-N 1 0 306.406 3.241 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000837327131 630240797 /nfs/dbraw/zinc/24/07/97/630240797.db2.gz XAMXPYVCMLWMQN-LLVKDONJSA-N 1 0 312.391 3.076 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000837440044 630257849 /nfs/dbraw/zinc/25/78/49/630257849.db2.gz KLODPLKTCOIGRX-ZDUSSCGKSA-N 1 0 324.352 3.154 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000837473437 630263677 /nfs/dbraw/zinc/26/36/77/630263677.db2.gz DNDZGWKFFLJFHI-CYBMUJFWSA-N 1 0 324.352 3.154 20 5 DGBDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000840860418 630368562 /nfs/dbraw/zinc/36/85/62/630368562.db2.gz UZXCOKJTJOCIKO-GDLVEWKHSA-N 1 0 307.394 3.031 20 5 DGBDRO OC[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1O ZINC000840976487 630390497 /nfs/dbraw/zinc/39/04/97/630390497.db2.gz WWKZMHVBMSZUAQ-LAUBAEHRSA-N 1 0 321.420 3.168 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H](C(C)C)[C@@H](C)[NH3+])n1 ZINC000841826935 630469269 /nfs/dbraw/zinc/46/92/69/630469269.db2.gz HIIGIGZMGDOHGI-ZWNOBZJWSA-N 1 0 304.350 3.040 20 5 DGBDRO [NH3+]C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000842476764 630540002 /nfs/dbraw/zinc/54/00/02/630540002.db2.gz VCBSWTNVDFPATM-AWEZNQCLSA-N 1 0 311.813 3.245 20 5 DGBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843053605 630608933 /nfs/dbraw/zinc/60/89/33/630608933.db2.gz DXLAYQLLDVKQQH-YHWZYXNKSA-N 1 0 309.797 3.092 20 5 DGBDRO [NH3+]CCN(Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843059494 630609840 /nfs/dbraw/zinc/60/98/40/630609840.db2.gz NDTCQEUJLUEPKV-UHFFFAOYSA-N 1 0 319.792 3.209 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CO1 ZINC000843432234 630658032 /nfs/dbraw/zinc/65/80/32/630658032.db2.gz KQABCTIBUSMWAI-GMSGAONNSA-N 1 0 305.161 3.169 20 5 DGBDRO CN(CC[NH+]1CCCCC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000845770438 631195810 /nfs/dbraw/zinc/19/58/10/631195810.db2.gz TWNIGNATAFNLBN-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(Cl)c(F)c1 ZINC000846893387 631342800 /nfs/dbraw/zinc/34/28/00/631342800.db2.gz HTFAWBBIRKNPIF-UHFFFAOYSA-N 1 0 323.755 3.457 20 5 DGBDRO C[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CCCC1 ZINC000848475824 631667204 /nfs/dbraw/zinc/66/72/04/631667204.db2.gz SIPBZLYAPKWLDE-UHFFFAOYSA-N 1 0 300.362 3.290 20 5 DGBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848531562 631680635 /nfs/dbraw/zinc/68/06/35/631680635.db2.gz SKSVBRMKHOOTIP-AEFFLSMTSA-N 1 0 312.369 3.214 20 5 DGBDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000848561366 631693740 /nfs/dbraw/zinc/69/37/40/631693740.db2.gz XRTJMNVTEVYFAU-ZDUSSCGKSA-N 1 0 314.389 3.082 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848785595 631748564 /nfs/dbraw/zinc/74/85/64/631748564.db2.gz MTOLTWCFMOIRQK-DOTOQJQBSA-N 1 0 317.389 3.226 20 5 DGBDRO CCc1ccc(NC(=[NH2+])NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000849001492 631803348 /nfs/dbraw/zinc/80/33/48/631803348.db2.gz KQLZXWBRQSFLSF-UHFFFAOYSA-N 1 0 312.373 3.336 20 5 DGBDRO [NH2+]=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1F ZINC000849080382 631829483 /nfs/dbraw/zinc/82/94/83/631829483.db2.gz PIPXJNHUZJKJOU-UHFFFAOYSA-N 1 0 320.299 3.052 20 5 DGBDRO [NH2+]=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cc(F)ccc1F ZINC000849082210 631830796 /nfs/dbraw/zinc/83/07/96/631830796.db2.gz ZVBIBLABTFFRIQ-UHFFFAOYSA-N 1 0 320.299 3.052 20 5 DGBDRO C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000849324660 631891882 /nfs/dbraw/zinc/89/18/82/631891882.db2.gz XITZSVPJAGJCLM-HONMWMINSA-N 1 0 312.316 3.060 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000850424484 632148672 /nfs/dbraw/zinc/14/86/72/632148672.db2.gz JNKKNQPVGADBJX-NEPJUHHUSA-N 1 0 304.346 3.478 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000850439766 632153522 /nfs/dbraw/zinc/15/35/22/632153522.db2.gz OIAHQCQFOWWCFZ-MJBXVCDLSA-N 1 0 321.421 3.127 20 5 DGBDRO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850495279 632171749 /nfs/dbraw/zinc/17/17/49/632171749.db2.gz ZIMPOAJZYZSTJA-SMDDNHRTSA-N 1 0 307.394 3.033 20 5 DGBDRO CSCC1(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000850508969 632174563 /nfs/dbraw/zinc/17/45/63/632174563.db2.gz WOVXPAKFFYDHPF-NSHDSACASA-N 1 0 309.435 3.361 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC2(CCC2)C1 ZINC000850525008 632180135 /nfs/dbraw/zinc/18/01/35/632180135.db2.gz KJGLHXPNSRPHHS-UKRRQHHQSA-N 1 0 304.390 3.217 20 5 DGBDRO CC(C)[N@H+](CC[C@H]1COC(C)(C)O1)Cc1ccc([N+](=O)[O-])cc1 ZINC000851734977 632479246 /nfs/dbraw/zinc/47/92/46/632479246.db2.gz BXDAQKDZRVBKPG-INIZCTEOSA-N 1 0 322.405 3.347 20 5 DGBDRO CO[C@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000851869563 632512106 /nfs/dbraw/zinc/51/21/06/632512106.db2.gz KOVPPDSTJNALKH-QGZVFWFLSA-N 1 0 304.390 3.158 20 5 DGBDRO Cc1noc(C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000852047325 632544740 /nfs/dbraw/zinc/54/47/40/632544740.db2.gz ZQLAVZZCVCLBTK-BXUZGUMPSA-N 1 0 301.346 3.474 20 5 DGBDRO CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000852135541 632561352 /nfs/dbraw/zinc/56/13/52/632561352.db2.gz PQDYURJSAFAYBU-BHYGNILZSA-N 1 0 304.390 3.342 20 5 DGBDRO CC[N@@H+]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000852166037 632565638 /nfs/dbraw/zinc/56/56/38/632565638.db2.gz BNYGGQSYWSQKMO-LBPRGKRZSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000792934167 660995244 /nfs/dbraw/zinc/99/52/44/660995244.db2.gz SXFMXMBEWKVBJS-IBGZPJMESA-N 1 0 324.380 3.418 20 5 DGBDRO C[C@@H](C[NH+]1CCCCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963649 655628328 /nfs/dbraw/zinc/62/83/28/655628328.db2.gz UUMJZXJIBYLBHU-LBPRGKRZSA-N 1 0 311.813 3.212 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000234342910 655719041 /nfs/dbraw/zinc/71/90/41/655719041.db2.gz UXQZOFFKZSETEG-VIFPVBQESA-N 1 0 301.749 3.141 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2[NH2+]CCc3ccccc32)c(F)c1 ZINC000262489825 655750924 /nfs/dbraw/zinc/75/09/24/655750924.db2.gz KVXQZBLLJRMIHE-INIZCTEOSA-N 1 0 301.321 3.033 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC23CCCC3)c(Cl)c1 ZINC000934386836 655772836 /nfs/dbraw/zinc/77/28/36/655772836.db2.gz SFUANWQCZTYKIZ-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO CC(C)CO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000177415156 655924078 /nfs/dbraw/zinc/92/40/78/655924078.db2.gz SIMGRWCNGKNXLC-AWEZNQCLSA-N 1 0 312.797 3.495 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(NCC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000236043233 655943097 /nfs/dbraw/zinc/94/30/97/655943097.db2.gz KYYUWAORGRUAPW-MRVPVSSYSA-N 1 0 304.177 3.313 20 5 DGBDRO CC(=O)Oc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180459321 655966074 /nfs/dbraw/zinc/96/60/74/655966074.db2.gz DCJCWBRVTPLEFX-LBPRGKRZSA-N 1 0 314.341 3.371 20 5 DGBDRO C[C@H](c1ccc(F)nc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930354644 661274149 /nfs/dbraw/zinc/27/41/49/661274149.db2.gz RKJQDBCIYCTWDA-GFCCVEGCSA-N 1 0 303.337 3.364 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000178569501 656927104 /nfs/dbraw/zinc/92/71/04/656927104.db2.gz TXJGDMICLVZHJM-MSOLQXFVSA-N 1 0 312.369 3.369 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCCCCCC1 ZINC000007390205 657506562 /nfs/dbraw/zinc/50/65/62/657506562.db2.gz UGDVVDXCVSKLLB-CYBMUJFWSA-N 1 0 305.378 3.188 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCCC1 ZINC000016484778 658435578 /nfs/dbraw/zinc/43/55/78/658435578.db2.gz FIWPIIQZUKFXAV-ZDUSSCGKSA-N 1 0 305.378 3.188 20 5 DGBDRO C[C@@](CO)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000172732674 659351597 /nfs/dbraw/zinc/35/15/97/659351597.db2.gz STKVTDYUWCQWIM-INIZCTEOSA-N 1 0 310.369 3.155 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174880315 659903137 /nfs/dbraw/zinc/90/31/37/659903137.db2.gz MHCJSGXWWPUWKC-CQSZACIVSA-N 1 0 311.813 3.164 20 5 DGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000067949785 659932485 /nfs/dbraw/zinc/93/24/85/659932485.db2.gz PKUFRXQTGOJRMC-GFCCVEGCSA-N 1 0 324.381 3.425 20 5 DGBDRO Cc1nn(C[N@H+](CC2CC2)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000068878849 659967141 /nfs/dbraw/zinc/96/71/41/659967141.db2.gz CVIJEKDEQVFZIN-UHFFFAOYSA-N 1 0 306.410 3.410 20 5 DGBDRO C[NH+](C)C1(C)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000931351463 661469763 /nfs/dbraw/zinc/46/97/63/661469763.db2.gz OAOGJNLKCCEKBK-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO C[NH+](C)C1(C)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000931351673 661469945 /nfs/dbraw/zinc/46/99/45/661469945.db2.gz RNRSNOPGYFMFQW-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC(c3ncco3)CC2)c(F)c1 ZINC000931448705 661477123 /nfs/dbraw/zinc/47/71/23/661477123.db2.gz KVHVDWSJKXFDLB-UHFFFAOYSA-N 1 0 305.309 3.102 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1 ZINC000932177464 661544683 /nfs/dbraw/zinc/54/46/83/661544683.db2.gz YFCHYUCOFPIPAP-JIMOISOXSA-N 1 0 318.295 3.355 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932178511 661545040 /nfs/dbraw/zinc/54/50/40/661545040.db2.gz OAWKYYWSMQHBAJ-PMUMKWKESA-N 1 0 314.385 3.410 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000932181752 661545279 /nfs/dbraw/zinc/54/52/79/661545279.db2.gz CEWFTQDLIHFGTD-HZSPNIEDSA-N 1 0 319.405 3.035 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000932181563 661545366 /nfs/dbraw/zinc/54/53/66/661545366.db2.gz VQXNOFCJYYJBHJ-HWPZZCPQSA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000932275370 661555447 /nfs/dbraw/zinc/55/54/47/661555447.db2.gz OXOFTKJHZBHBOP-BBRMVZONSA-N 1 0 314.389 3.096 20 5 DGBDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932277847 661556104 /nfs/dbraw/zinc/55/61/04/661556104.db2.gz LEPSFQHXNYFHMK-ZBFHGGJFSA-N 1 0 314.389 3.059 20 5 DGBDRO CCCCC1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000934208886 661688141 /nfs/dbraw/zinc/68/81/41/661688141.db2.gz PSDIIMWNQLIAMI-UHFFFAOYSA-N 1 0 316.361 3.457 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934333898 661698673 /nfs/dbraw/zinc/69/86/73/661698673.db2.gz RNCHCSVMOLDPCR-AWEZNQCLSA-N 1 0 317.414 3.158 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CC=CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000934626626 661719834 /nfs/dbraw/zinc/71/98/34/661719834.db2.gz WWENOUHFJISWGZ-KWCYVHTRSA-N 1 0 317.389 3.175 20 5 DGBDRO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000934762127 661732857 /nfs/dbraw/zinc/73/28/57/661732857.db2.gz MWCVPIZURZYFAD-XHSDSOJGSA-N 1 0 304.390 3.139 20 5 DGBDRO CC[C@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000245441404 662233227 /nfs/dbraw/zinc/23/32/27/662233227.db2.gz VJVCTLDKRUYDQR-GOEBONIOSA-N 1 0 314.389 3.265 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001620780087 1191863108 /nfs/dbraw/zinc/86/31/08/1191863108.db2.gz YWCJQABUBIJCIJ-INIZCTEOSA-N 1 0 319.449 3.422 20 5 DGBDRO CCc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC001578253000 1191934038 /nfs/dbraw/zinc/93/40/38/1191934038.db2.gz ZPGXZIMTJBLPTP-UHFFFAOYSA-N 1 0 311.341 3.013 20 5 DGBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001579499894 1191978112 /nfs/dbraw/zinc/97/81/12/1191978112.db2.gz JHTVVNODEMTFMR-PSASIEDQSA-N 1 0 303.284 3.166 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC001579605242 1191981667 /nfs/dbraw/zinc/98/16/67/1191981667.db2.gz LKDJNJXEVSKMFG-UHFFFAOYSA-N 1 0 323.780 3.157 20 5 DGBDRO [NH3+][C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C12CCC2 ZINC001580165553 1192011211 /nfs/dbraw/zinc/01/12/11/1192011211.db2.gz MCJYNISMNBTDNC-HUUCEWRRSA-N 1 0 324.384 3.339 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001580875387 1192043290 /nfs/dbraw/zinc/04/32/90/1192043290.db2.gz JIAFGLHLWHUUQO-SMDDNHRTSA-N 1 0 324.812 3.002 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC2(C1)CC[NH2+]CC2 ZINC001580874620 1192043432 /nfs/dbraw/zinc/04/34/32/1192043432.db2.gz GGQZKDLHDHTRKY-UHFFFAOYSA-N 1 0 316.188 3.091 20 5 DGBDRO CCC(CC)(CCO)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001620822156 1192177146 /nfs/dbraw/zinc/17/71/46/1192177146.db2.gz VBTCETFUMXEDIO-UHFFFAOYSA-N 1 0 308.422 3.490 20 5 DGBDRO Cc1ccc(NC(=O)C(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001587682828 1192412026 /nfs/dbraw/zinc/41/20/26/1192412026.db2.gz QNAJZFYQOCVTJU-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)[C@H](O)C(C)C ZINC001620889670 1192556113 /nfs/dbraw/zinc/55/61/13/1192556113.db2.gz GBDVPVLNVGFPQP-MRXNPFEDSA-N 1 0 308.422 3.344 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000351937469 1178053957 /nfs/dbraw/zinc/05/39/57/1178053957.db2.gz ODAJLYIJNNKNTN-WMLDXEAASA-N 1 0 306.406 3.305 20 5 DGBDRO CCC1([NH+]2CCCCC2)CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC001333579482 1178630868 /nfs/dbraw/zinc/63/08/68/1178630868.db2.gz OOYYJSKOCKNEJM-UHFFFAOYSA-N 1 0 318.421 3.225 20 5 DGBDRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccc(N)c([N+](=O)[O-])c1 ZINC001334728469 1178787727 /nfs/dbraw/zinc/78/77/27/1178787727.db2.gz DJJBYECPJANHKH-NSNUZPRRSA-N 1 0 307.419 3.254 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C2=CCC[NH2+]CC2)n1 ZINC001334756964 1178791645 /nfs/dbraw/zinc/79/16/45/1178791645.db2.gz GCXZDJGNTVNDQR-UHFFFAOYSA-N 1 0 314.345 3.028 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)ncn3C)cc1[N+](=O)[O-] ZINC001621036337 1192930549 /nfs/dbraw/zinc/93/05/49/1192930549.db2.gz BXLDWQSUHKBLQR-UHFFFAOYSA-N 1 0 310.357 3.080 20 5 DGBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001343596299 1179302024 /nfs/dbraw/zinc/30/20/24/1179302024.db2.gz OBCCETNMLDOSAF-GJZGRUSLSA-N 1 0 320.389 3.150 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCOC12CCCC2 ZINC001356045761 1181131564 /nfs/dbraw/zinc/13/15/64/1181131564.db2.gz KEHFZKDRWKTWHQ-GDBMZVCRSA-N 1 0 302.374 3.273 20 5 DGBDRO C[C@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001473430203 1181524329 /nfs/dbraw/zinc/52/43/29/1181524329.db2.gz XBEBNYOLHUQQJA-IUCAKERBSA-N 1 0 319.188 3.104 20 5 DGBDRO Cc1cc(N(CC[NH+](C)C)C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC001458369689 1182519126 /nfs/dbraw/zinc/51/91/26/1182519126.db2.gz KIBWMNRFKOBGCD-UHFFFAOYSA-N 1 0 309.385 3.353 20 5 DGBDRO O=[N+]([O-])c1c(NCc2ccc3c[nH+]cn3c2)ccc2cnccc21 ZINC001458426495 1182522930 /nfs/dbraw/zinc/52/29/30/1182522930.db2.gz CHJFNJISENSNPI-UHFFFAOYSA-N 1 0 319.324 3.403 20 5 DGBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]1 ZINC001458555798 1182538958 /nfs/dbraw/zinc/53/89/58/1182538958.db2.gz SOGFMRVVISTSJM-SNVBAGLBSA-N 1 0 317.311 3.192 20 5 DGBDRO C[NH+]1C[C@]2(C)CN(Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001460557037 1182696155 /nfs/dbraw/zinc/69/61/55/1182696155.db2.gz BCJDWZRFUPMHGT-HZPDHXFCSA-N 1 0 323.824 3.022 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1COC(C)(C)C ZINC001460750004 1182716981 /nfs/dbraw/zinc/71/69/81/1182716981.db2.gz PLDAQLZTUAOTQY-HNNXBMFYSA-N 1 0 322.405 3.383 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(-n3ccnc3)cs2)cc1 ZINC001461090215 1182766520 /nfs/dbraw/zinc/76/65/20/1182766520.db2.gz ZBWMVACFKPRWMP-UHFFFAOYSA-N 1 0 314.370 3.132 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2CCCO[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC001461257780 1182787458 /nfs/dbraw/zinc/78/74/58/1182787458.db2.gz QRHCDZBVJATTJK-WBVHZDCISA-N 1 0 306.406 3.444 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCN1C ZINC001461810023 1182858105 /nfs/dbraw/zinc/85/81/05/1182858105.db2.gz ZSLWKUONUPKZED-OOXMNIKJSA-N 1 0 303.406 3.072 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC001462106514 1182908640 /nfs/dbraw/zinc/90/86/40/1182908640.db2.gz RHQRXDUXVUDDFU-GFCCVEGCSA-N 1 0 308.378 3.177 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)C1CCCC1 ZINC001462538069 1182965959 /nfs/dbraw/zinc/96/59/59/1182965959.db2.gz ZQAHZMADMXXDBD-KDOFPFPSSA-N 1 0 320.433 3.447 20 5 DGBDRO CC(C)[N@H+](C)CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001472681224 1183666918 /nfs/dbraw/zinc/66/69/18/1183666918.db2.gz QDZJVOCKJWBWHM-UHFFFAOYSA-N 1 0 305.300 3.366 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001472711089 1183669547 /nfs/dbraw/zinc/66/95/47/1183669547.db2.gz UALWEFZIQBPJCJ-STQMWFEESA-N 1 0 314.389 3.428 20 5 DGBDRO CCCN(CC[NH+]1CCCCCC1)c1ncc([N+](=O)[O-])cc1F ZINC001472799137 1183683124 /nfs/dbraw/zinc/68/31/24/1183683124.db2.gz KCLSSXDLMGKYKY-UHFFFAOYSA-N 1 0 324.400 3.221 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001472857224 1183691197 /nfs/dbraw/zinc/69/11/97/1183691197.db2.gz ASAJMBISBDUYCT-AWEZNQCLSA-N 1 0 304.394 3.199 20 5 DGBDRO CC(C)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001473105032 1183715732 /nfs/dbraw/zinc/71/57/32/1183715732.db2.gz GLGHPEHBJCSYSU-UHFFFAOYSA-N 1 0 319.405 3.434 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)c1 ZINC001473383003 1183750224 /nfs/dbraw/zinc/75/02/24/1183750224.db2.gz BWCFKZKNDKALHP-SWLSCSKDSA-N 1 0 320.389 3.392 20 5 DGBDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001473807045 1183805799 /nfs/dbraw/zinc/80/57/99/1183805799.db2.gz PRDZXSGBPBDSAG-VXGBXAGGSA-N 1 0 307.350 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCOC23CCCCC3)cc1 ZINC001473856926 1183813624 /nfs/dbraw/zinc/81/36/24/1183813624.db2.gz XDFNIYANCTYPSZ-INIZCTEOSA-N 1 0 320.389 3.055 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOCC23CCCC3)c(F)c1 ZINC001473893157 1183820807 /nfs/dbraw/zinc/82/08/07/1183820807.db2.gz NXFCBGQDJWQUPC-OAHLLOKOSA-N 1 0 308.353 3.173 20 5 DGBDRO COc1ccc(C[NH2+]Cc2ccc3cc[nH]c3c2)cc1[N+](=O)[O-] ZINC001473987257 1183844158 /nfs/dbraw/zinc/84/41/58/1183844158.db2.gz KLEKOODCDQTFAP-UHFFFAOYSA-N 1 0 311.341 3.375 20 5 DGBDRO CCC[C@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001474236884 1183886122 /nfs/dbraw/zinc/88/61/22/1183886122.db2.gz QLCDKZHXRXIBHM-CQSZACIVSA-N 1 0 318.373 3.496 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+](C(C)(C)C)CC1 ZINC001474362428 1183909657 /nfs/dbraw/zinc/90/96/57/1183909657.db2.gz QHJXPCXTWQFXAS-UHFFFAOYSA-N 1 0 305.422 3.128 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCc2ccccc2F)cc1 ZINC001474490558 1183930301 /nfs/dbraw/zinc/93/03/01/1183930301.db2.gz FBICQRPQPJWCNX-UHFFFAOYSA-N 1 0 302.349 3.499 20 5 DGBDRO CC(C)CN(CC[NH+](C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001474505641 1183933013 /nfs/dbraw/zinc/93/30/13/1183933013.db2.gz DPVXLLSTNUSSSJ-UHFFFAOYSA-N 1 0 313.829 3.268 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CCCC1 ZINC001474520213 1183935115 /nfs/dbraw/zinc/93/51/15/1183935115.db2.gz GOLDFJMCHCZEQO-ZDUSSCGKSA-N 1 0 308.378 3.367 20 5 DGBDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001474646729 1183954723 /nfs/dbraw/zinc/95/47/23/1183954723.db2.gz HIIHKZXZHPXRCS-WBVHZDCISA-N 1 0 320.389 3.115 20 5 DGBDRO CCCCN(C)c1ccc(Nc2nn(C)cc2[N+](=O)[O-])cc1 ZINC001611952746 1193443858 /nfs/dbraw/zinc/44/38/58/1193443858.db2.gz JDYHVAAYIVVJGC-UHFFFAOYSA-N 1 0 303.366 3.308 20 5 DGBDRO Cc1ccc(N(C)CCC[N@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC001612357627 1193450878 /nfs/dbraw/zinc/45/08/78/1193450878.db2.gz LBKGVPSDYLJCLT-UHFFFAOYSA-N 1 0 317.389 3.455 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001612950318 1193464725 /nfs/dbraw/zinc/46/47/25/1193464725.db2.gz LBGFJSHACGHNNG-CQSZACIVSA-N 1 0 317.776 3.399 20 5 DGBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+]1C ZINC001612939772 1193464780 /nfs/dbraw/zinc/46/47/80/1193464780.db2.gz SXDAQWMOJPJZJS-TZMCWYRMSA-N 1 0 312.373 3.161 20 5 DGBDRO Cn1cc(C[N@@H+]2CCC[C@H]2CC2CCCCC2)c([N+](=O)[O-])n1 ZINC001615338121 1193520764 /nfs/dbraw/zinc/52/07/64/1193520764.db2.gz RMHUXVLJAJJYPK-HNNXBMFYSA-N 1 0 306.410 3.263 20 5 DGBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001617359238 1193566612 /nfs/dbraw/zinc/56/66/12/1193566612.db2.gz FEVDTEWSCULCKM-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001559305871 1189195030 /nfs/dbraw/zinc/19/50/30/1189195030.db2.gz ZMBKCTXSBMYQFK-ZDUSSCGKSA-N 1 0 320.437 3.401 20 5 DGBDRO COC[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)C ZINC001559713487 1189234098 /nfs/dbraw/zinc/23/40/98/1189234098.db2.gz QTZSEGZGVJPFNA-OAHLLOKOSA-N 1 0 306.406 3.478 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC001559846850 1189249096 /nfs/dbraw/zinc/24/90/96/1189249096.db2.gz MFWVAMAPRPBGLN-XZJROXQQSA-N 1 0 322.405 3.143 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001559937229 1189259022 /nfs/dbraw/zinc/25/90/22/1189259022.db2.gz XGFHITCGFAENCY-CABCVRRESA-N 1 0 320.437 3.248 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C2([C@@H]3CCCO3)CCC2)ccc1Cl ZINC001560227171 1189295170 /nfs/dbraw/zinc/29/51/70/1189295170.db2.gz IWRKOWGMZQDWCS-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc(O)cc(Cl)c2)c1 ZINC001560426529 1189327157 /nfs/dbraw/zinc/32/71/57/1189327157.db2.gz NYGXAEADFTVFOJ-UHFFFAOYSA-N 1 0 306.749 3.286 20 5 DGBDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001575446710 1191483983 /nfs/dbraw/zinc/48/39/83/1191483983.db2.gz HVMSPIRFPRTXHT-LBPRGKRZSA-N 1 0 313.785 3.196 20 5 DGBDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001576102884 1191529548 /nfs/dbraw/zinc/52/95/48/1191529548.db2.gz IVTQQFGEDHWNHI-ZJUUUORDSA-N 1 0 323.780 3.334 20 5 DGBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001576380729 1191578170 /nfs/dbraw/zinc/57/81/70/1191578170.db2.gz XPNMAWPCGKBOHG-HOTGVXAUSA-N 1 0 315.373 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1F ZINC001620669668 1193788472 /nfs/dbraw/zinc/78/84/72/1193788472.db2.gz XIFZTEUQZYCXNY-HZPDHXFCSA-N 1 0 308.353 3.267 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1cccc([N+](=O)[O-])c1 ZINC001620728523 1193795145 /nfs/dbraw/zinc/79/51/45/1193795145.db2.gz WHPXRQSOGZVRHQ-JTQLQIEISA-N 1 0 313.313 3.292 20 5 DGBDRO CC(C)[NH+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001639239780 1194756975 /nfs/dbraw/zinc/75/69/75/1194756975.db2.gz WNNKMYVKBQMQOC-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO C[C@H](CNc1cccc(C(F)(F)F)c1[N+](=O)[O-])C[NH+](C)C ZINC001639973311 1194789434 /nfs/dbraw/zinc/78/94/34/1194789434.db2.gz WLYNLAXILDMVRF-SECBINFHSA-N 1 0 305.300 3.223 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC1CCCCC1)C1CC1 ZINC001641546762 1194859502 /nfs/dbraw/zinc/85/95/02/1194859502.db2.gz DHRHLBDYSMQHRR-UHFFFAOYSA-N 1 0 306.410 3.144 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(CC)CC ZINC001642126748 1194889315 /nfs/dbraw/zinc/88/93/15/1194889315.db2.gz INUUGEASNGZOMQ-GJZGRUSLSA-N 1 0 321.421 3.405 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001642662091 1194927386 /nfs/dbraw/zinc/92/73/86/1194927386.db2.gz GQOUSJYOCFXPJM-ZDUSSCGKSA-N 1 0 322.405 3.350 20 5 DGBDRO CC[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C ZINC001642792003 1194939989 /nfs/dbraw/zinc/93/99/89/1194939989.db2.gz WMDALIXOWSNLCJ-NEPJUHHUSA-N 1 0 316.361 3.265 20 5 DGBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C)C1 ZINC001642938580 1194955205 /nfs/dbraw/zinc/95/52/05/1194955205.db2.gz YTPLIFGKZAYQLT-ZBFHGGJFSA-N 1 0 322.405 3.111 20 5 DGBDRO CC(C)C[N@H+](CC[N+](=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC001643975488 1195068761 /nfs/dbraw/zinc/06/87/61/1195068761.db2.gz AUSPOPVLVVXCFD-UHFFFAOYSA-N 1 0 304.312 3.440 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001644507472 1195113773 /nfs/dbraw/zinc/11/37/73/1195113773.db2.gz IKLFQOGSKORTQV-AAEUAGOBSA-N 1 0 314.389 3.382 20 5 DGBDRO CO[C@@]1(C)C[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001644692143 1195127104 /nfs/dbraw/zinc/12/71/04/1195127104.db2.gz ZFEMVRAXJDTSDE-RDJZCZTQSA-N 1 0 322.405 3.109 20 5 DGBDRO COc1ccc2c(c1)C[N@@H+](CC[N+](=O)[O-])[C@H](C1CCCCC1)C2 ZINC001644785080 1195134749 /nfs/dbraw/zinc/13/47/49/1195134749.db2.gz HWLBPBRKFSLFEY-SFHVURJKSA-N 1 0 318.417 3.279 20 5 DGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC001645083568 1195154671 /nfs/dbraw/zinc/15/46/71/1195154671.db2.gz ZPHWXGHJMIJUEL-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001648114091 1195277007 /nfs/dbraw/zinc/27/70/07/1195277007.db2.gz LXHZVKOKZJJNIJ-KBMXLJTQSA-N 1 0 324.808 3.374 20 5 DGBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@]12CCC[C@H]1OCC2 ZINC001648650610 1195318028 /nfs/dbraw/zinc/31/80/28/1195318028.db2.gz CZCSWMMCNBRXOV-HZPDHXFCSA-N 1 0 308.353 3.125 20 5 DGBDRO CC(C)(CCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001650621805 1195365834 /nfs/dbraw/zinc/36/58/34/1195365834.db2.gz SNOBBEUXLAKFCC-UHFFFAOYSA-N 1 0 318.373 3.353 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2nc3cc(F)ccc3o2)c1 ZINC001650893272 1195392440 /nfs/dbraw/zinc/39/24/40/1195392440.db2.gz KNRIKDUAFIETAF-UHFFFAOYSA-N 1 0 315.304 3.207 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001651234033 1195430474 /nfs/dbraw/zinc/43/04/74/1195430474.db2.gz ANKSJBMIISTXOA-CYBMUJFWSA-N 1 0 314.389 3.428 20 5 DGBDRO C[NH+](C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC001651278126 1195437030 /nfs/dbraw/zinc/43/70/30/1195437030.db2.gz JIZGHOMNZBOZLV-CQSZACIVSA-N 1 0 317.364 3.319 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCCCc2cc[nH+]c(N)c2)c1 ZINC001651460708 1195465391 /nfs/dbraw/zinc/46/53/91/1195465391.db2.gz VNMPDCXMIDHCIR-UHFFFAOYSA-N 1 0 300.362 3.315 20 5 DGBDRO CCC(=O)c1ccc(NC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001651490881 1195470566 /nfs/dbraw/zinc/47/05/66/1195470566.db2.gz VPRKZUKAWHRWRW-CYBMUJFWSA-N 1 0 305.378 3.084 20 5 DGBDRO C[C@H]([NH2+]Cc1cn2ccnc2s1)c1ccc([N+](=O)[O-])cc1 ZINC001651553958 1195478727 /nfs/dbraw/zinc/47/87/27/1195478727.db2.gz COQSIKSSNULJFT-JTQLQIEISA-N 1 0 302.359 3.155 20 5 DGBDRO C[C@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001651554355 1195479040 /nfs/dbraw/zinc/47/90/40/1195479040.db2.gz LZYAIVSYBWMDRJ-LBPRGKRZSA-N 1 0 323.356 3.231 20 5 DGBDRO CC[N@@H+]1CC[C@@H]1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001652159467 1195555358 /nfs/dbraw/zinc/55/53/58/1195555358.db2.gz JDBDCDIDQRADQD-SNVBAGLBSA-N 1 0 303.284 3.120 20 5 DGBDRO CC1([NH+]2CCCCC2)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001652201405 1195561536 /nfs/dbraw/zinc/56/15/36/1195561536.db2.gz QUMKYJZGHWFBJX-UHFFFAOYSA-N 1 0 303.406 3.440 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001652386309 1195590251 /nfs/dbraw/zinc/59/02/51/1195590251.db2.gz DWKNCBVSYBVWJL-UHFFFAOYSA-N 1 0 307.394 3.291 20 5 DGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(CCC[NH+]1CCCCC1)CC2 ZINC001653127477 1195690529 /nfs/dbraw/zinc/69/05/29/1195690529.db2.gz IPARQMAISBYRNZ-UHFFFAOYSA-N 1 0 303.406 3.142 20 5 DGBDRO CCOC(=O)[C@@H](CC)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001653648694 1195741156 /nfs/dbraw/zinc/74/11/56/1195741156.db2.gz HLYICPUXGKSWFA-GDBMZVCRSA-N 1 0 320.389 3.116 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC001653769925 1195749026 /nfs/dbraw/zinc/74/90/26/1195749026.db2.gz QRPGKRLDDJNXRN-OCCSQVGLSA-N 1 0 308.426 3.246 20 5 DGBDRO Cc1ccc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001654672149 1195828918 /nfs/dbraw/zinc/82/89/18/1195828918.db2.gz GVCVZPCVCZPXLJ-ZDUSSCGKSA-N 1 0 322.405 3.313 20 5 DGBDRO CC1CC[NH+](CCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC001654972483 1195859826 /nfs/dbraw/zinc/85/98/26/1195859826.db2.gz GYVUIRBDMFVJSC-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)C1(C)CC1 ZINC001654997122 1195863132 /nfs/dbraw/zinc/86/31/32/1195863132.db2.gz PABMBVZLWTVXIN-GFCCVEGCSA-N 1 0 305.378 3.010 20 5 DGBDRO C[NH+]1CCC(C)(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC001655308552 1195902224 /nfs/dbraw/zinc/90/22/24/1195902224.db2.gz KQZFQHXYWIUACK-UHFFFAOYSA-N 1 0 318.421 3.012 20 5 DGBDRO C[C@@]12CSC[C@@H]1C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001655813183 1195965634 /nfs/dbraw/zinc/96/56/34/1195965634.db2.gz MVVRRFSNPDIJPW-XJKSGUPXSA-N 1 0 322.430 3.049 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2CCCC2)c1 ZINC001656036045 1195990214 /nfs/dbraw/zinc/99/02/14/1195990214.db2.gz SWPYIQCHYPJQED-UHFFFAOYSA-N 1 0 300.305 3.476 20 5 DGBDRO COC[C@H](C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001656236753 1196021751 /nfs/dbraw/zinc/02/17/51/1196021751.db2.gz WFQKEKYOVBSKPQ-GFCCVEGCSA-N 1 0 304.346 3.227 20 5 DGBDRO Cc1ccc(F)c(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC001656342221 1196031541 /nfs/dbraw/zinc/03/15/41/1196031541.db2.gz AAPUXNBEWHXJMF-UHFFFAOYSA-N 1 0 304.321 3.211 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@]12CCC[C@H]1OCC2 ZINC001656557356 1196049888 /nfs/dbraw/zinc/04/98/88/1196049888.db2.gz BIQUYWSHYIROBP-HZPDHXFCSA-N 1 0 308.353 3.125 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)CN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001656626066 1196055872 /nfs/dbraw/zinc/05/58/72/1196055872.db2.gz MOURNRTVOYVCBF-CQSZACIVSA-N 1 0 305.422 3.113 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC001657023897 1196094820 /nfs/dbraw/zinc/09/48/20/1196094820.db2.gz ATPFXBSUJWDVSP-AWEZNQCLSA-N 1 0 320.433 3.490 20 5 DGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC1 ZINC001657738868 1196173907 /nfs/dbraw/zinc/17/39/07/1196173907.db2.gz GIGAPBAIOQPPEI-VIFPVBQESA-N 1 0 300.305 3.474 20 5 DGBDRO C[C@@H]1Cc2cc(C[NH2+]CCc3ccccc3[N+](=O)[O-])ccc2O1 ZINC001657887492 1196190737 /nfs/dbraw/zinc/19/07/37/1196190737.db2.gz OQRZWTWPHPKNIJ-CYBMUJFWSA-N 1 0 312.369 3.251 20 5 DGBDRO O=c1[nH]c2ccccc2cc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001657887475 1196190851 /nfs/dbraw/zinc/19/08/51/1196190851.db2.gz OKYCFUKPDHFIMQ-UHFFFAOYSA-N 1 0 323.352 3.181 20 5 DGBDRO CC(C)[C@H]1CCCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001657971798 1196198329 /nfs/dbraw/zinc/19/83/29/1196198329.db2.gz KIQMXQRSYDODCE-OAHLLOKOSA-N 1 0 319.405 3.094 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC001657999024 1196200395 /nfs/dbraw/zinc/20/03/95/1196200395.db2.gz IQESXOOUNKMZJW-OAHLLOKOSA-N 1 0 304.390 3.342 20 5 DGBDRO CO[C@@](C)(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC001658258771 1196230773 /nfs/dbraw/zinc/23/07/73/1196230773.db2.gz BQVUUHQWELYHIV-KRWDZBQOSA-N 1 0 304.390 3.374 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001658506606 1196266966 /nfs/dbraw/zinc/26/69/66/1196266966.db2.gz MTHYAGMSDQHWMA-MWQQHZPXSA-N 1 0 318.417 3.463 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)CC2CCCCC2)c1[N+](=O)[O-] ZINC001658716328 1196291910 /nfs/dbraw/zinc/29/19/10/1196291910.db2.gz WQUXTFSMDUEHSW-UHFFFAOYSA-N 1 0 308.378 3.321 20 5 DGBDRO CC(C)CCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001658879117 1196313023 /nfs/dbraw/zinc/31/30/23/1196313023.db2.gz GJFKICYFZLYTHL-CQSZACIVSA-N 1 0 306.410 3.302 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(Br)CC2)cc1Cl ZINC001659020711 1196333932 /nfs/dbraw/zinc/33/39/32/1196333932.db2.gz LAYIAXNJCGRPJL-UHFFFAOYSA-N 1 0 319.586 3.265 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@]2(C)CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC001659389827 1196378584 /nfs/dbraw/zinc/37/85/84/1196378584.db2.gz RSGILKNVNYENBJ-MEDUHNTESA-N 1 0 308.378 3.367 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001660014361 1196437917 /nfs/dbraw/zinc/43/79/17/1196437917.db2.gz FJFIHNKDEYHKIL-GOEBONIOSA-N 1 0 304.390 3.068 20 5 DGBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C1CCCC1 ZINC001660164714 1196453615 /nfs/dbraw/zinc/45/36/15/1196453615.db2.gz AUJLBZPUKBDXDK-CYBMUJFWSA-N 1 0 321.396 3.183 20 5 DGBDRO CC(C)C[N@H+](C)CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC001660183916 1196455225 /nfs/dbraw/zinc/45/52/25/1196455225.db2.gz FZPAAHJQMUJHQQ-UHFFFAOYSA-N 1 0 313.829 3.316 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccc([C@@H](C)O)cc2)cc1[N+](=O)[O-] ZINC001661121502 1196570101 /nfs/dbraw/zinc/57/01/01/1196570101.db2.gz SXTJMMPBUDMKPB-CYBMUJFWSA-N 1 0 300.358 3.246 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CCCCO1 ZINC001662030746 1196676373 /nfs/dbraw/zinc/67/63/73/1196676373.db2.gz PFFNFBKJHVJWAI-HNNXBMFYSA-N 1 0 308.378 3.042 20 5 DGBDRO CCON(C)C(=O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001662804046 1196753984 /nfs/dbraw/zinc/75/39/84/1196753984.db2.gz NTYVYTWCMSGKQK-UHFFFAOYSA-N 1 0 322.408 3.493 20 5 DGBDRO CSC(C)(C)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001664118803 1196972439 /nfs/dbraw/zinc/97/24/39/1196972439.db2.gz YOQZPELSLFCHBD-UHFFFAOYSA-N 1 0 323.462 3.249 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[N@@H+](C(C)C)CC1 ZINC001664114062 1196972485 /nfs/dbraw/zinc/97/24/85/1196972485.db2.gz CQELEDWQIJKHEZ-UHFFFAOYSA-N 1 0 305.422 3.128 20 5 DGBDRO Cc1cc(Cl)nc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC001165027986 721854821 /nfs/dbraw/zinc/85/48/21/721854821.db2.gz FZURMEGXRCNVDP-UHFFFAOYSA-N 1 0 324.812 3.016 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC001165027912 721855104 /nfs/dbraw/zinc/85/51/04/721855104.db2.gz BWRORKZJBNBVRL-UHFFFAOYSA-N 1 0 324.812 3.016 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC001169718055 1081638463 /nfs/dbraw/zinc/63/84/63/1081638463.db2.gz JGYSSRTWWWJGBG-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001169719033 1081639155 /nfs/dbraw/zinc/63/91/55/1081639155.db2.gz ZLTQNBCLJKFEFV-UHFFFAOYSA-N 1 0 320.368 3.424 20 5 DGBDRO CC(C)(C)c1cnc(NCC23CC[NH+](CC2)CC3)c([N+](=O)[O-])c1 ZINC001169794466 1081656516 /nfs/dbraw/zinc/65/65/16/1081656516.db2.gz PFKWSWGDEMJCHY-UHFFFAOYSA-N 1 0 318.421 3.185 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1c2ccccc2CNC1=O ZINC001169886199 1081666400 /nfs/dbraw/zinc/66/64/00/1081666400.db2.gz VITKKGXSLGQMDP-IBGZPJMESA-O 1 0 324.448 3.066 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170295907 1082337075 /nfs/dbraw/zinc/33/70/75/1082337075.db2.gz XNMDOYNGAOUVTN-CYBMUJFWSA-N 1 0 300.358 3.324 20 5 DGBDRO COc1ccc(C[C@H](C)Nc2cccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001170298021 1082338532 /nfs/dbraw/zinc/33/85/32/1082338532.db2.gz YITTVZVKMWERDI-LBPRGKRZSA-N 1 0 315.373 3.105 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC001170304278 1082339472 /nfs/dbraw/zinc/33/94/72/1082339472.db2.gz AUFVQOJCYNQLLK-LLVKDONJSA-N 1 0 304.346 3.226 20 5 DGBDRO COC[C@@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170335161 1082348871 /nfs/dbraw/zinc/34/88/71/1082348871.db2.gz LVZJQXAMAKRBRU-ZFWWWQNUSA-N 1 0 322.405 3.035 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])c1 ZINC001170347606 1082356773 /nfs/dbraw/zinc/35/67/73/1082356773.db2.gz SDJDJUVAGFXUBK-DFBGVHRSSA-N 1 0 304.390 3.122 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001170451917 1082480414 /nfs/dbraw/zinc/48/04/14/1082480414.db2.gz SZRCIWHCMUFYME-UHFFFAOYSA-N 1 0 306.410 3.362 20 5 DGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001167625447 1082619957 /nfs/dbraw/zinc/61/99/57/1082619957.db2.gz SUPLHFJFJZZUJA-UHFFFAOYSA-N 1 0 313.348 3.358 20 5 DGBDRO CCN(c1cc(C)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCC[NH2+]C1 ZINC001158200493 1082636672 /nfs/dbraw/zinc/63/66/72/1082636672.db2.gz MDOMGUOJSQJBCE-CQSZACIVSA-N 1 0 314.389 3.030 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217974213 1082977481 /nfs/dbraw/zinc/97/74/81/1082977481.db2.gz DKEBXIJZNKQZBM-CABZTGNLSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC3(C[NH2+]C3)C2)c(Cl)cc1Cl ZINC001218238504 1083087604 /nfs/dbraw/zinc/08/76/04/1083087604.db2.gz VEPFSLDOUCBJBA-MRVPVSSYSA-N 1 0 317.172 3.423 20 5 DGBDRO COC1CC(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001181419294 1083463009 /nfs/dbraw/zinc/46/30/09/1083463009.db2.gz YSJLORAJFABTOK-UHFFFAOYSA-N 1 0 318.295 3.128 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC001182533146 1083747905 /nfs/dbraw/zinc/74/79/05/1083747905.db2.gz JODGRYWAAKTCDL-ORHYLEIMSA-N 1 0 320.389 3.225 20 5 DGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001185018179 1084312519 /nfs/dbraw/zinc/31/25/19/1084312519.db2.gz XRUCAZRDZKLGKS-QWRGUYRKSA-N 1 0 313.348 3.405 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226195550 1085988173 /nfs/dbraw/zinc/98/81/73/1085988173.db2.gz LIBSDNJDZDGION-VIFPVBQESA-N 1 0 302.733 3.249 20 5 DGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NC1(C)CC[NH2+]CC1 ZINC001168188494 1087034266 /nfs/dbraw/zinc/03/42/66/1087034266.db2.gz ZBIMRRZATLJDTA-UHFFFAOYSA-N 1 0 313.785 3.119 20 5 DGBDRO COc1ccccc1[C@@H](OCCC[N+](C)(C)C)C(F)(F)F ZINC001224621241 1087416847 /nfs/dbraw/zinc/41/68/47/1087416847.db2.gz PJUPAPRVOISKPQ-CQSZACIVSA-N 1 0 306.348 3.412 20 5 DGBDRO CC1(C)C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C[C@@](C)(C[NH3+])C1 ZINC001158264399 1087748974 /nfs/dbraw/zinc/74/89/74/1087748974.db2.gz BITWBVMLIQFSSU-MEBBXXQBSA-N 1 0 310.373 3.085 20 5 DGBDRO Cc1ccnc(N(C2CCCC2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001158488324 1087865440 /nfs/dbraw/zinc/86/54/40/1087865440.db2.gz STNHEAKWRQCYIB-UHFFFAOYSA-N 1 0 318.421 3.141 20 5 DGBDRO CC(C)[N@@H+]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C[C@@H]1C ZINC001158494083 1087866745 /nfs/dbraw/zinc/86/67/45/1087866745.db2.gz AKHJWXXRTVZUTG-ZDUSSCGKSA-N 1 0 314.389 3.062 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001158757854 1088012576 /nfs/dbraw/zinc/01/25/76/1088012576.db2.gz RURRQRZHHZFUDI-UHFFFAOYSA-N 1 0 321.208 3.439 20 5 DGBDRO CCC(C)(C)CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001158805250 1088035266 /nfs/dbraw/zinc/03/52/66/1088035266.db2.gz OBEXIBLMEYKQRH-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cc([C@H]2CCCC[NH2+]2)no1 ZINC001159313433 1088285872 /nfs/dbraw/zinc/28/58/72/1088285872.db2.gz NVBGMVUQSSFJEC-GFCCVEGCSA-N 1 0 302.334 3.449 20 5 DGBDRO Cc1ccnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001159391962 1088333120 /nfs/dbraw/zinc/33/31/20/1088333120.db2.gz SXARLVHXFQCBPH-UHFFFAOYSA-N 1 0 306.410 3.362 20 5 DGBDRO Cc1cnc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001159590837 1088405520 /nfs/dbraw/zinc/40/55/20/1088405520.db2.gz ZSGSVCFSHWIMLQ-LBPRGKRZSA-N 1 0 323.356 3.171 20 5 DGBDRO COc1ccc(Nc2ccc3c(c2)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001159682365 1088444070 /nfs/dbraw/zinc/44/40/70/1088444070.db2.gz VDXURQJXGIHBEN-UHFFFAOYSA-N 1 0 313.357 3.035 20 5 DGBDRO Cc1ccc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)c([N+](=O)[O-])c1 ZINC001159921743 1088552009 /nfs/dbraw/zinc/55/20/09/1088552009.db2.gz DUJBWHYQZREYAC-HNNXBMFYSA-N 1 0 313.357 3.388 20 5 DGBDRO [NH3+][C@H]1CCCN(c2ccccc2Nc2cccc([N+](=O)[O-])c2)C1 ZINC001159978611 1088584706 /nfs/dbraw/zinc/58/47/06/1088584706.db2.gz VHNHPKBRPSCDPG-ZDUSSCGKSA-N 1 0 312.373 3.266 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccc([N+](=O)[O-])n3)c2c1 ZINC001160011734 1088600020 /nfs/dbraw/zinc/60/00/20/1088600020.db2.gz PQSSBPCXLZHTQR-LBPRGKRZSA-N 1 0 310.357 3.132 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccccc1O[C@@H]1CC[NH2+]C1 ZINC001160167629 1088684089 /nfs/dbraw/zinc/68/40/89/1088684089.db2.gz UXKPYVDFIRBMDU-CQSZACIVSA-N 1 0 313.357 3.388 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001155025001 1088901642 /nfs/dbraw/zinc/90/16/42/1088901642.db2.gz KSDXEKJWOYXADQ-STQMWFEESA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001155025985 1088901731 /nfs/dbraw/zinc/90/17/31/1088901731.db2.gz RGXYZNUOAVEFAR-TZMCWYRMSA-N 1 0 314.389 3.191 20 5 DGBDRO [NH3+]Cc1ccnn1-c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001155125721 1088961012 /nfs/dbraw/zinc/96/10/12/1088961012.db2.gz XIDQWGWLMBDWHZ-UHFFFAOYSA-N 1 0 309.760 3.081 20 5 DGBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2nc(Cl)ncc2[N+](=O)[O-])c1 ZINC001155339649 1089074075 /nfs/dbraw/zinc/07/40/75/1089074075.db2.gz IVLXPJSJIOPJGW-QMMMGPOBSA-N 1 0 317.736 3.002 20 5 DGBDRO [NH3+]CCc1cccc(Nc2nc3ccccc3cc2[N+](=O)[O-])c1 ZINC001161077278 1089106080 /nfs/dbraw/zinc/10/60/80/1089106080.db2.gz OYXYOTDVYSUBGR-UHFFFAOYSA-N 1 0 308.341 3.388 20 5 DGBDRO [NH3+]CCc1cccc(Nc2ncc([N+](=O)[O-])c3ccccc32)c1 ZINC001161078272 1089107037 /nfs/dbraw/zinc/10/70/37/1089107037.db2.gz AGWXHBFHSMUDCB-UHFFFAOYSA-N 1 0 308.341 3.388 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)n1 ZINC001155549120 1089157891 /nfs/dbraw/zinc/15/78/91/1089157891.db2.gz HKFMVOHVSSSPAZ-CABCVRRESA-N 1 0 312.373 3.122 20 5 DGBDRO Cc1ccnc(NCC2CC[NH+](CC3CCC3)CC2)c1[N+](=O)[O-] ZINC001161233735 1089164473 /nfs/dbraw/zinc/16/44/73/1089164473.db2.gz ZQVJXIGFDUTCGP-UHFFFAOYSA-N 1 0 318.421 3.222 20 5 DGBDRO [NH3+][C@H]1CC[C@H](N(CC2CCCC2)c2cccc([N+](=O)[O-])n2)CC1 ZINC001162186486 1089598721 /nfs/dbraw/zinc/59/87/21/1089598721.db2.gz PCCVGBNBWFCNHC-SHTZXODSSA-N 1 0 318.421 3.256 20 5 DGBDRO C[N@@H+]1CCC[C@](C)(Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001162340490 1089681187 /nfs/dbraw/zinc/68/11/87/1089681187.db2.gz UMAZGLVUNVHDBD-INIZCTEOSA-N 1 0 300.362 3.039 20 5 DGBDRO Cc1c(C)c(N2C(C)(C)CC([NH3+])CC2(C)C)ncc1[N+](=O)[O-] ZINC001156773836 1089688481 /nfs/dbraw/zinc/68/84/81/1089688481.db2.gz KMADATXIZXMHFW-UHFFFAOYSA-N 1 0 306.410 3.091 20 5 DGBDRO Cc1cc(Cl)nc(NC[C@]2(CC3CC3)CCC[NH2+]2)c1[N+](=O)[O-] ZINC001162350034 1089690230 /nfs/dbraw/zinc/69/02/30/1089690230.db2.gz QLHZFKRLXOVPMG-OAHLLOKOSA-N 1 0 324.812 3.286 20 5 DGBDRO COc1nc(NCC[PH+](C(C)C)C(C)C)ncc1[N+](=O)[O-] ZINC001162357378 1089693987 /nfs/dbraw/zinc/69/39/87/1089693987.db2.gz JEZZPZFZJYAFFI-UHFFFAOYSA-N 1 0 314.326 3.104 20 5 DGBDRO Cc1ccc2c(ccnc2N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162389983 1089708880 /nfs/dbraw/zinc/70/88/80/1089708880.db2.gz AVNGEVKBLAFJOX-VXGBXAGGSA-N 1 0 300.362 3.133 20 5 DGBDRO C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C[NH2+]1 ZINC001162557853 1089788286 /nfs/dbraw/zinc/78/82/86/1089788286.db2.gz MLCMKVYFXREJKB-RKDXNWHRSA-N 1 0 303.284 3.024 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001163038497 1090058779 /nfs/dbraw/zinc/05/87/79/1090058779.db2.gz HCTPRSZXEIUPHZ-UHFFFAOYSA-N 1 0 310.398 3.016 20 5 DGBDRO CC(C)Oc1nc(N[C@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001157803912 1090114839 /nfs/dbraw/zinc/11/48/39/1090114839.db2.gz XMRBXZFOBGDAPC-STQMWFEESA-N 1 0 322.409 3.062 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ncc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163209465 1090115687 /nfs/dbraw/zinc/11/56/87/1090115687.db2.gz JAYHTEONFPYFST-ABAIWWIYSA-N 1 0 318.764 3.158 20 5 DGBDRO C[NH2+]CCN(c1cc(C)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C ZINC001157825904 1090122127 /nfs/dbraw/zinc/12/21/27/1090122127.db2.gz VQAHZZIMGXJAOE-UHFFFAOYSA-N 1 0 316.405 3.276 20 5 DGBDRO CCOc1cc(N[C@@H]2C[NH2+]Cc3ccsc32)ccc1[N+](=O)[O-] ZINC001163229245 1090127025 /nfs/dbraw/zinc/12/70/25/1090127025.db2.gz HUSATBYMKNDEAH-GFCCVEGCSA-N 1 0 319.386 3.311 20 5 DGBDRO O=[N+]([O-])c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1C(F)(F)F ZINC001163262642 1090133261 /nfs/dbraw/zinc/13/32/61/1090133261.db2.gz GEWIROSBXBMWII-QRTLGDNMSA-N 1 0 315.295 3.024 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@@H](C)C1 ZINC001163364581 1090165290 /nfs/dbraw/zinc/16/52/90/1090165290.db2.gz DRMGWNZMFIAAPU-AAEUAGOBSA-N 1 0 317.393 3.002 20 5 DGBDRO CCOc1cc(N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC001163722265 1090242645 /nfs/dbraw/zinc/24/26/45/1090242645.db2.gz VYIVRHFPGOYQBA-CVEARBPZSA-N 1 0 319.405 3.278 20 5 DGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ccc([N+](=O)[O-])cn1 ZINC001163898033 1090283052 /nfs/dbraw/zinc/28/30/52/1090283052.db2.gz PTRFQQAIFHEPKB-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO COc1cccc(NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC001163994873 1090311117 /nfs/dbraw/zinc/31/11/17/1090311117.db2.gz RVDVRBZIXLXWGB-UHFFFAOYSA-N 1 0 315.373 3.277 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH+]3CCC2CC3)c(C(F)F)c1 ZINC001164351907 1090409453 /nfs/dbraw/zinc/40/94/53/1090409453.db2.gz XBRSOTPQBROGGI-LLVKDONJSA-N 1 0 311.332 3.286 20 5 DGBDRO CC(C)(C)[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001165091554 1090464312 /nfs/dbraw/zinc/46/43/12/1090464312.db2.gz VHMNVCDOUCQADG-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO CN(CC[NH+]1CCCC1)c1ccc2ccc3cccnc3c2n1 ZINC001165139436 1090470478 /nfs/dbraw/zinc/47/04/78/1090470478.db2.gz IYQVQFSKWMIRDD-UHFFFAOYSA-N 1 0 306.413 3.315 20 5 DGBDRO CC(C)[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1C ZINC001165199628 1090477722 /nfs/dbraw/zinc/47/77/22/1090477722.db2.gz FLBKDWNXFQOOGE-CYBMUJFWSA-N 1 0 314.389 3.062 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001165318297 1090502163 /nfs/dbraw/zinc/50/21/63/1090502163.db2.gz AUPJTCRSCHTENB-CYBMUJFWSA-N 1 0 324.812 3.002 20 5 DGBDRO C[NH2+]Cc1cccc(Nc2ncnc3cc([N+](=O)[O-])ccc32)c1 ZINC001167032912 1090698640 /nfs/dbraw/zinc/69/86/40/1090698640.db2.gz DPLHZJJRVJYUFX-UHFFFAOYSA-N 1 0 309.329 3.001 20 5 DGBDRO CC1=CCC[C@H](C)[C@H]1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001205668062 1091305050 /nfs/dbraw/zinc/30/50/50/1091305050.db2.gz TZMYMMXUJBMMTG-YOEHRIQHSA-N 1 0 303.406 3.352 20 5 DGBDRO C[N@@H+]1CCC[C@H]1CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001307177338 1091429023 /nfs/dbraw/zinc/42/90/23/1091429023.db2.gz QXSOMBWEIRUUGY-VIFPVBQESA-N 1 0 303.284 3.120 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001168766601 1091683296 /nfs/dbraw/zinc/68/32/96/1091683296.db2.gz NWMXOYBQLQQTEO-UHFFFAOYSA-N 1 0 320.368 3.282 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NCC1C[NH+](Cc2ccccc2)C1 ZINC000716221813 1091763032 /nfs/dbraw/zinc/76/30/32/1091763032.db2.gz NLBLULJIQQTHMZ-UHFFFAOYSA-N 1 0 311.385 3.447 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001207449125 1091971377 /nfs/dbraw/zinc/97/13/77/1091971377.db2.gz PPVDIPQCVPCASG-DZGCQCFKSA-N 1 0 306.406 3.321 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccsc2Br)C1 ZINC001168978598 1092458889 /nfs/dbraw/zinc/45/88/89/1092458889.db2.gz SRQUFFXUQJCDJP-SCZZXKLOSA-N 1 0 319.224 3.046 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCCCCCCCCO)C1 ZINC001168980394 1092458953 /nfs/dbraw/zinc/45/89/53/1092458953.db2.gz DFHBAEQHIYPHSC-CVEARBPZSA-N 1 0 300.443 3.135 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)c(F)cc2Cl)C1 ZINC001168978631 1092458971 /nfs/dbraw/zinc/45/89/71/1092458971.db2.gz TVELPYONIRPYLA-WCBMZHEXSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)C1 ZINC001168978428 1092459017 /nfs/dbraw/zinc/45/90/17/1092459017.db2.gz SBMVRIWAVMXROC-WFASDCNBSA-N 1 0 308.809 3.407 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccn3)cc2)C1 ZINC001168985665 1092462323 /nfs/dbraw/zinc/46/23/23/1092462323.db2.gz UUTKKLSKXBAIMJ-DOTOQJQBSA-N 1 0 311.385 3.284 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C1 ZINC001168966784 1092468157 /nfs/dbraw/zinc/46/81/57/1092468157.db2.gz KZSFMMVNKSPMAU-GXTWGEPZSA-N 1 0 317.414 3.345 20 5 DGBDRO [NH3+]CCCc1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168966367 1092468433 /nfs/dbraw/zinc/46/84/33/1092468433.db2.gz IISJXQBSFDHASY-ZFWWWQNUSA-N 1 0 301.390 3.151 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001168975724 1092475350 /nfs/dbraw/zinc/47/53/50/1092475350.db2.gz WZKJQOPPTILOHV-JOYOIKCWSA-N 1 0 320.286 3.380 20 5 DGBDRO COc1ccc(C2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCC2)cc1 ZINC001168992348 1092477575 /nfs/dbraw/zinc/47/75/75/1092477575.db2.gz JMNOSSROHPRBSN-ZFWWWQNUSA-N 1 0 304.390 3.109 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccncc2Cl)C2CC2)C1 ZINC001168997516 1092478643 /nfs/dbraw/zinc/47/86/43/1092478643.db2.gz CURUSGFPBDVBFJ-IXPVHAAZSA-N 1 0 309.797 3.221 20 5 DGBDRO COc1cccc(CC2(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168998018 1092479353 /nfs/dbraw/zinc/47/93/53/1092479353.db2.gz HGAMBFHENQQRTD-JKSUJKDBSA-N 1 0 318.417 3.053 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)C1 ZINC001168997599 1092479565 /nfs/dbraw/zinc/47/95/65/1092479565.db2.gz DXBZLZPIHWMXSW-GDBMZVCRSA-N 1 0 306.381 3.183 20 5 DGBDRO COc1ccccc1[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC1 ZINC001169003578 1092483096 /nfs/dbraw/zinc/48/30/96/1092483096.db2.gz OGTPVVQWAMOWBN-MRRJBJDNSA-N 1 0 304.390 3.181 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)C1 ZINC001169006164 1092485255 /nfs/dbraw/zinc/48/52/55/1092485255.db2.gz FNPLZQBTRBWJGL-SFYZADRCSA-N 1 0 322.249 3.152 20 5 DGBDRO C[Si](C)(C)C([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[Si](C)(C)C ZINC001168988243 1092492771 /nfs/dbraw/zinc/49/27/71/1092492771.db2.gz PPBRJMRYFKNXPZ-VXGBXAGGSA-N 1 0 302.567 3.145 20 5 DGBDRO Cc1cnc(C[NH3+])n1-c1nc2c(ccc3ccccc32)nc1Cl ZINC001169029796 1092494052 /nfs/dbraw/zinc/49/40/52/1092494052.db2.gz XTPREBAMHICMIQ-UHFFFAOYSA-N 1 0 323.787 3.389 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](Sc3ccncc3)C2)C1 ZINC001169033315 1092496165 /nfs/dbraw/zinc/49/61/65/1092496165.db2.gz BWSCCILUALCDEZ-YCPHGPKFSA-N 1 0 321.446 3.084 20 5 DGBDRO COc1cccc([C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169040924 1092500498 /nfs/dbraw/zinc/50/04/98/1092500498.db2.gz ADNLMPNXSYMMJI-UAGQMJEPSA-N 1 0 318.417 3.320 20 5 DGBDRO COc1cccc([C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169040896 1092501694 /nfs/dbraw/zinc/50/16/94/1092501694.db2.gz ADNLMPNXSYMMJI-DJIMGWMZSA-N 1 0 318.417 3.320 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC001169025904 1092505322 /nfs/dbraw/zinc/50/53/22/1092505322.db2.gz JSAWOWQTBOOQMR-ZFWWWQNUSA-N 1 0 322.380 3.114 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(COc3ccccc3)CC2)C1 ZINC001169026359 1092506732 /nfs/dbraw/zinc/50/67/32/1092506732.db2.gz LHZSGUYEQUJLBW-DLBZAZTESA-N 1 0 318.417 3.223 20 5 DGBDRO C[NH2+]CCc1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001169046321 1092507118 /nfs/dbraw/zinc/50/71/18/1092507118.db2.gz KLGNITXTRHTZTM-ZFWWWQNUSA-N 1 0 301.390 3.021 20 5 DGBDRO COc1ccc(C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169026595 1092507423 /nfs/dbraw/zinc/50/74/23/1092507423.db2.gz NCJRFQQBZOXJFX-PBHICJAKSA-N 1 0 318.417 3.320 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC001169026991 1092507983 /nfs/dbraw/zinc/50/79/83/1092507983.db2.gz OQKMRIODWADFCW-SJORKVTESA-N 1 0 318.417 3.113 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCCC1 ZINC001169136461 1092549751 /nfs/dbraw/zinc/54/97/51/1092549751.db2.gz MSEVSFIXQWSELJ-LBPRGKRZSA-N 1 0 319.405 3.142 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001119981803 1094331441 /nfs/dbraw/zinc/33/14/41/1094331441.db2.gz BHDNSZCMLUHJFD-OUCADQQQSA-N 1 0 323.824 3.415 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2C)cc([N+](=O)[O-])c1 ZINC001120364511 1094415654 /nfs/dbraw/zinc/41/56/54/1094415654.db2.gz LRLQOBCVEJNZAF-QWRGUYRKSA-N 1 0 318.377 3.057 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C[C@@H]2F)c(C(F)(F)F)c1 ZINC001217944274 1094523912 /nfs/dbraw/zinc/52/39/12/1094523912.db2.gz GWTUSBXRLULOIG-JQWIXIFHSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCCC[NH2+]C2)cc1C(F)(F)F ZINC001217967440 1094534112 /nfs/dbraw/zinc/53/41/12/1094534112.db2.gz APEYWWWHHBOKIA-JTQLQIEISA-N 1 0 304.268 3.135 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@H]3CCCC[NH2+]C3)ccc21 ZINC001217970922 1094534946 /nfs/dbraw/zinc/53/49/46/1094534946.db2.gz QSRBEDZMFKKODS-AWEZNQCLSA-N 1 0 309.365 3.467 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[NH2+]CCC[C@H]2F)c(Cl)c1 ZINC001217980723 1094540476 /nfs/dbraw/zinc/54/04/76/1094540476.db2.gz MOJMZAVAILERDA-GHMZBOCLSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001217985520 1094543610 /nfs/dbraw/zinc/54/36/10/1094543610.db2.gz GKLICRPRUBPBJZ-PRHODGIISA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001217989699 1094545413 /nfs/dbraw/zinc/54/54/13/1094545413.db2.gz SXVFHLKDBYDEMS-PRHODGIISA-N 1 0 302.733 3.154 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@H]3CCC[NH2+]CC3)ccc21 ZINC001217993567 1094547558 /nfs/dbraw/zinc/54/75/58/1094547558.db2.gz AKJYIZSQODWMTJ-ZDUSSCGKSA-N 1 0 309.365 3.467 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]CC[C@@H]2F)c(C(F)(F)F)c1 ZINC001218012368 1094558718 /nfs/dbraw/zinc/55/87/18/1094558718.db2.gz IZQKHXRQAKULIU-JQWIXIFHSA-N 1 0 322.258 3.083 20 5 DGBDRO F[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001218014627 1094560135 /nfs/dbraw/zinc/56/01/35/1094560135.db2.gz HKOVMNUBRWUJPP-FZKQIMNGSA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[NH2+]CC[C@H]2F)cc1Cl ZINC001218015742 1094560930 /nfs/dbraw/zinc/56/09/30/1094560930.db2.gz MTGSAKDSMZXLRW-MWLCHTKSSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1CC[NH2+]CC[C@H]1F ZINC001218015766 1094561200 /nfs/dbraw/zinc/56/12/00/1094561200.db2.gz MZFHWJLRVAHAFD-KOLCDFICSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@H]1C[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218056505 1094579279 /nfs/dbraw/zinc/57/92/79/1094579279.db2.gz OMUIYXOWQIBFAZ-WPRPVWTQSA-N 1 0 304.268 3.133 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1CC[NH2+]C[C@H]1F ZINC001218064591 1094582867 /nfs/dbraw/zinc/58/28/67/1094582867.db2.gz NDDKKIDUTFTFMV-ZBFHGGJFSA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218090266 1094594601 /nfs/dbraw/zinc/59/46/01/1094594601.db2.gz MLGCZIWENQWRNP-KBPBESRZSA-N 1 0 314.744 3.298 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCOC2CCSCC2)cc1[N+](=O)[O-] ZINC001336245848 1094601558 /nfs/dbraw/zinc/60/15/58/1094601558.db2.gz PLHPIAHGXILHJS-ZDUSSCGKSA-N 1 0 324.446 3.466 20 5 DGBDRO Cc1cc(O[C@H]2CCC[C@]23CC[NH2+]C3)c(C)c(C)c1[N+](=O)[O-] ZINC001218099305 1094603373 /nfs/dbraw/zinc/60/33/73/1094603373.db2.gz UEOKZIUPTWLSRQ-DOTOQJQBSA-N 1 0 304.390 3.431 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218115594 1094613792 /nfs/dbraw/zinc/61/37/92/1094613792.db2.gz OGMZGNRGYZUUFS-OLZOCXBDSA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)cc(C(F)(F)F)c1 ZINC001218116338 1094615510 /nfs/dbraw/zinc/61/55/10/1094615510.db2.gz JJCIGSMNXRDFKQ-OLZOCXBDSA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c(Cl)cc1Cl ZINC001218118422 1094616683 /nfs/dbraw/zinc/61/66/83/1094616683.db2.gz VRNJDEIEWJUPDR-OLZOCXBDSA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[C@@]23CC[NH2+]C3)c(Cl)cc1Cl ZINC001218118427 1094616985 /nfs/dbraw/zinc/61/69/85/1094616985.db2.gz VRNJDEIEWJUPDR-STQMWFEESA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[C@@]23CC[NH2+]C3)c(Cl)c1 ZINC001218120739 1094617975 /nfs/dbraw/zinc/61/79/75/1094617975.db2.gz WONGNPZACYFVIU-YPMHNXCESA-N 1 0 317.172 3.423 20 5 DGBDRO c1ccc2c(c1)nc(O[C@H]1CCO[C@@]13CC[NH2+]C3)c1ccccc21 ZINC001218136521 1094625690 /nfs/dbraw/zinc/62/56/90/1094625690.db2.gz WKAOXCVAAHWATB-AZUAARDMSA-N 1 0 320.392 3.288 20 5 DGBDRO Oc1c2ccccc2c(OC[C@H]2C[NH2+]CCO2)c2ccccc12 ZINC001218179041 1094644543 /nfs/dbraw/zinc/64/45/43/1094644543.db2.gz KEZIGGWYXBUQPM-CYBMUJFWSA-N 1 0 309.365 3.066 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)cc1Cl ZINC001218252851 1094682225 /nfs/dbraw/zinc/68/22/25/1094682225.db2.gz VLUGVWOEORTMIQ-RNSXUZJQSA-N 1 0 317.172 3.421 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1OC1CCC2(C[NH2+]C2)CC1 ZINC001218262357 1094685180 /nfs/dbraw/zinc/68/51/80/1094685180.db2.gz HQBZGOULPVIADI-UHFFFAOYSA-N 1 0 310.781 3.468 20 5 DGBDRO Cc1cc(OC2CCC3(C[NH2+]C3)CC2)c(C)c(C)c1[N+](=O)[O-] ZINC001218263291 1094686469 /nfs/dbraw/zinc/68/64/69/1094686469.db2.gz ANGGAWLJOANMDU-UHFFFAOYSA-N 1 0 304.390 3.431 20 5 DGBDRO F[C@H]1[C@H]2CC[C@@H](C[C@H]1Oc1ccc3nc4ccccc4nc3c1)[NH2+]2 ZINC001218269891 1094688989 /nfs/dbraw/zinc/68/89/89/1094688989.db2.gz HTGBLMHHOIUIBH-LZUNIJNBSA-N 1 0 323.371 3.393 20 5 DGBDRO Oc1cccc2cc3cccc(O)c3c(O[C@H]3C=CC[NH2+]C3)c12 ZINC001218334086 1094723537 /nfs/dbraw/zinc/72/35/37/1094723537.db2.gz LDKOQFUTFQNNCM-AWEZNQCLSA-N 1 0 307.349 3.311 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC3CCC2CC3)o1 ZINC001336776964 1094735552 /nfs/dbraw/zinc/73/55/52/1094735552.db2.gz XHGAHIZCAJDOHU-UHFFFAOYSA-N 1 0 314.345 3.019 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC23CC3)cc1C(F)(F)F ZINC001218398193 1094750834 /nfs/dbraw/zinc/75/08/34/1094750834.db2.gz CFDVXKZIYUCRPA-LBPRGKRZSA-N 1 0 316.279 3.135 20 5 DGBDRO C[C@@H]1CC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC001218400049 1094751928 /nfs/dbraw/zinc/75/19/28/1094751928.db2.gz SSYQVBDLVUFLLF-SFYZADRCSA-N 1 0 305.161 3.421 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cccc1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218486462 1094809408 /nfs/dbraw/zinc/80/94/08/1094809408.db2.gz BGSBSCRLFARVDQ-CQSZACIVSA-N 1 0 304.733 3.472 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]Cc3ccccc32)cc1F ZINC001218489004 1094818327 /nfs/dbraw/zinc/81/83/27/1094818327.db2.gz NRWJHGJHOCIFCX-MRXNPFEDSA-N 1 0 302.305 3.266 20 5 DGBDRO C[C@@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001122168115 1094916629 /nfs/dbraw/zinc/91/66/29/1094916629.db2.gz YAEBJTBDLGHCFI-MLGOLLRUSA-N 1 0 319.405 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001337733487 1095074515 /nfs/dbraw/zinc/07/45/15/1095074515.db2.gz MQXUFNFORCIFSU-DOTOQJQBSA-N 1 0 312.373 3.182 20 5 DGBDRO CC[C@@H](CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)[NH+]1CCCC1 ZINC001337805597 1095101693 /nfs/dbraw/zinc/10/16/93/1095101693.db2.gz DVJBIOGVWQFDLS-AWEZNQCLSA-N 1 0 305.378 3.084 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccc(F)cc1)CC2 ZINC001116502410 1095581107 /nfs/dbraw/zinc/58/11/07/1095581107.db2.gz VFRMECQVWOMWGP-UHFFFAOYSA-N 1 0 300.333 3.335 20 5 DGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccnc3[N+](=O)[O-])c2c1 ZINC001171166035 1095620330 /nfs/dbraw/zinc/62/03/30/1095620330.db2.gz AVHZVCBRIGRSJJ-GFCCVEGCSA-N 1 0 310.357 3.132 20 5 DGBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC001116695192 1095637411 /nfs/dbraw/zinc/63/74/11/1095637411.db2.gz UIAGPGISTREXJH-KKTNHOPESA-N 1 0 318.373 3.026 20 5 DGBDRO O=[N+]([O-])c1cnc(Nc2cccc(C[NH+]3CCCC3)c2)s1 ZINC001116928991 1095702870 /nfs/dbraw/zinc/70/28/70/1095702870.db2.gz RUVQBCDKQMFOAZ-UHFFFAOYSA-N 1 0 304.375 3.391 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CCC3)C2)c2ccccc21 ZINC001161176832 1095711097 /nfs/dbraw/zinc/71/10/97/1095711097.db2.gz GTKWCUODLLIVET-LBPRGKRZSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1cnc(COC2CC[NH+](C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC001224186090 1096156413 /nfs/dbraw/zinc/15/64/13/1096156413.db2.gz YIYJGQQHJFXXRX-UHFFFAOYSA-N 1 0 321.421 3.386 20 5 DGBDRO C[N+](C)(C)CCO[C@H](C(=O)c1cccs1)c1cccs1 ZINC001224771007 1096282352 /nfs/dbraw/zinc/28/23/52/1096282352.db2.gz DZVVIAULRRYLIQ-HNNXBMFYSA-N 1 0 310.464 3.456 20 5 DGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])C2 ZINC001225619569 1096484954 /nfs/dbraw/zinc/48/49/54/1096484954.db2.gz CPYPTOGHJALTGT-ITGUQSILSA-N 1 0 306.362 3.083 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)c(F)cc1Br ZINC001225845811 1096544177 /nfs/dbraw/zinc/54/41/77/1096544177.db2.gz IIYKIRFLPVEKPY-QMMMGPOBSA-N 1 0 309.174 3.201 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225916813 1096563006 /nfs/dbraw/zinc/56/30/06/1096563006.db2.gz ASUPSAGGGYCCMJ-LLVKDONJSA-N 1 0 318.295 3.475 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225961926 1096574716 /nfs/dbraw/zinc/57/47/16/1096574716.db2.gz BEZWOBAHYGDDJM-JTQLQIEISA-N 1 0 300.305 3.125 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225961927 1096575129 /nfs/dbraw/zinc/57/51/29/1096575129.db2.gz BEZWOBAHYGDDJM-SNVBAGLBSA-N 1 0 300.305 3.125 20 5 DGBDRO Cc1ccnc(OC2CC(C)(C)[NH+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001226120159 1096618341 /nfs/dbraw/zinc/61/83/41/1096618341.db2.gz RVSGPQZYDIQRHR-UHFFFAOYSA-N 1 0 307.394 3.328 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001226208207 1096637611 /nfs/dbraw/zinc/63/76/11/1096637611.db2.gz RXZGMSAPQBUBNL-MRVPVSSYSA-N 1 0 308.185 3.375 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001226532729 1096715964 /nfs/dbraw/zinc/71/59/64/1096715964.db2.gz XENKRVZKYPRYDO-MQMHXKEQSA-N 1 0 306.362 3.049 20 5 DGBDRO Cc1cc(OC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC001226841508 1096792373 /nfs/dbraw/zinc/79/23/73/1096792373.db2.gz NMLYASDFVDMOHK-UHFFFAOYSA-N 1 0 313.357 3.346 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1OC1CC[NH+](C2CC2)CC1 ZINC001226908662 1096812660 /nfs/dbraw/zinc/81/26/60/1096812660.db2.gz LWEJIKILVAYGPK-UHFFFAOYSA-N 1 0 314.744 3.393 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Cl)c(F)cc1[N+](=O)[O-])C2 ZINC001226909514 1096813025 /nfs/dbraw/zinc/81/30/25/1096813025.db2.gz WBOPGJHGWPIUEH-MYJAWHEDSA-N 1 0 314.744 3.391 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001227130384 1096875710 /nfs/dbraw/zinc/87/57/10/1096875710.db2.gz RJRUBLQLMVPKHH-CYBMUJFWSA-N 1 0 317.172 3.375 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001227273323 1096909860 /nfs/dbraw/zinc/90/98/60/1096909860.db2.gz XAUGZOQPXMIKLX-MRVPVSSYSA-N 1 0 303.213 3.343 20 5 DGBDRO CC(=O)c1cc(C(F)(F)F)ccc1O[C@H](C)C[N+](C)(C)C ZINC001227909805 1097010146 /nfs/dbraw/zinc/01/01/46/1097010146.db2.gz NEGNNHMIRVAXBS-SNVBAGLBSA-N 1 0 304.332 3.382 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C3CC3)CC2)c2ncccc12 ZINC001228138084 1097060678 /nfs/dbraw/zinc/06/06/78/1097060678.db2.gz INOGRRFZRHYOAY-UHFFFAOYSA-N 1 0 313.357 3.149 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2sc(C(C)(C)C)cc21 ZINC001228403411 1097114125 /nfs/dbraw/zinc/11/41/25/1097114125.db2.gz OYTLHJNMKKWWRF-LLVKDONJSA-N 1 0 308.471 3.462 20 5 DGBDRO Cc1cc(OC2CCN(c3cc[nH+]cc3)CC2)cc([N+](=O)[O-])c1 ZINC001228834029 1097200065 /nfs/dbraw/zinc/20/00/65/1097200065.db2.gz YWWKQJJDFQLONY-UHFFFAOYSA-N 1 0 313.357 3.346 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1cnccc1[N+](=O)[O-])c1cccs1 ZINC001228880860 1097209496 /nfs/dbraw/zinc/20/94/96/1097209496.db2.gz YPIFGZLJYYRGMI-LBPRGKRZSA-N 1 0 307.375 3.123 20 5 DGBDRO C[NH+](C)CC[C@@H](Oc1cnccc1[N+](=O)[O-])c1ccccc1 ZINC001228881914 1097209555 /nfs/dbraw/zinc/20/95/55/1097209555.db2.gz JJQFBRPBEPHAEZ-OAHLLOKOSA-N 1 0 301.346 3.062 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001228929746 1097218965 /nfs/dbraw/zinc/21/89/65/1097218965.db2.gz GTVLYLVOZCPYTP-GFCCVEGCSA-N 1 0 316.279 3.087 20 5 DGBDRO CC(=O)c1cccc([N+](=O)[O-])c1OC1CC[NH+](C(C)C)CC1 ZINC001228970765 1097228778 /nfs/dbraw/zinc/22/87/78/1097228778.db2.gz KZZIHEKFWXKOEG-UHFFFAOYSA-N 1 0 306.362 3.049 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001229009847 1097236237 /nfs/dbraw/zinc/23/62/37/1097236237.db2.gz WVQIVLHCZHJPMP-UHFFFAOYSA-N 1 0 315.373 3.395 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001229115847 1097259052 /nfs/dbraw/zinc/25/90/52/1097259052.db2.gz SPNLDKIPFDXGEF-JQNVNRKCSA-N 1 0 302.374 3.043 20 5 DGBDRO Cc1nc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cs1 ZINC001172896844 1097266680 /nfs/dbraw/zinc/26/66/80/1097266680.db2.gz SKXSWSKFJDLJHX-CQSZACIVSA-N 1 0 317.414 3.397 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172902425 1097268029 /nfs/dbraw/zinc/26/80/29/1097268029.db2.gz YHQQZPBQSCFCHX-HOTGVXAUSA-N 1 0 318.417 3.389 20 5 DGBDRO Cc1noc(C)c1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900834 1097268084 /nfs/dbraw/zinc/26/80/84/1097268084.db2.gz GKIZIPDSEUKRAI-HNNXBMFYSA-N 1 0 315.373 3.237 20 5 DGBDRO CCCOCCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901832 1097268315 /nfs/dbraw/zinc/26/83/15/1097268315.db2.gz PTUZAWRPGPAQQE-MRXNPFEDSA-N 1 0 306.406 3.249 20 5 DGBDRO C[C@]1(O)CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907883 1097270387 /nfs/dbraw/zinc/27/03/87/1097270387.db2.gz IPHHSKAWRKZSDU-WMZOPIPTSA-N 1 0 318.417 3.079 20 5 DGBDRO Cc1nc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c(C)o1 ZINC001172895299 1097278113 /nfs/dbraw/zinc/27/81/13/1097278113.db2.gz BWDLNULLXHJVDC-HNNXBMFYSA-N 1 0 315.373 3.237 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1ccncc1)CC2 ZINC001172896250 1097278257 /nfs/dbraw/zinc/27/82/57/1097278257.db2.gz NNIKVKGDBJSYDX-QGZVFWFLSA-N 1 0 311.385 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1nccs1)CC2 ZINC001172896246 1097278526 /nfs/dbraw/zinc/27/85/26/1097278526.db2.gz NMWGEENJQUKDAR-CYBMUJFWSA-N 1 0 303.387 3.089 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cncs1)CC2 ZINC001172896643 1097278559 /nfs/dbraw/zinc/27/85/59/1097278559.db2.gz QAWYCEUFMDHMRU-ZDUSSCGKSA-N 1 0 303.387 3.089 20 5 DGBDRO CC[N@H+](C1CCOCC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914792 1097279074 /nfs/dbraw/zinc/27/90/74/1097279074.db2.gz IVDRAFVBIPLJBU-MRXNPFEDSA-N 1 0 318.417 3.343 20 5 DGBDRO CO[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172916459 1097279383 /nfs/dbraw/zinc/27/93/83/1097279383.db2.gz RVRBWNFGRQFJTD-SJLPKXTDSA-N 1 0 318.417 3.343 20 5 DGBDRO CC1(C)[C@@H]2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]21 ZINC001172914173 1097279393 /nfs/dbraw/zinc/27/93/93/1097279393.db2.gz DLAYHZKTAXERJG-OIISXLGYSA-N 1 0 300.402 3.430 20 5 DGBDRO CCO[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917840 1097279956 /nfs/dbraw/zinc/27/99/56/1097279956.db2.gz XKNZPABZWJJTQP-FUHWJXTLSA-N 1 0 318.417 3.343 20 5 DGBDRO CC(=O)[C@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920030 1097281046 /nfs/dbraw/zinc/28/10/46/1097281046.db2.gz HUMOZLIOURBIHE-IRXDYDNUSA-N 1 0 316.401 3.143 20 5 DGBDRO C[N@H+](Cc1ccncc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909702 1097291517 /nfs/dbraw/zinc/29/15/17/1097291517.db2.gz UZUJZZQAVPIGSG-KRWDZBQOSA-N 1 0 311.385 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC13CCOCC3)CC2 ZINC001172913246 1097293102 /nfs/dbraw/zinc/29/31/02/1097293102.db2.gz UZVMCVIBDJYRBD-DOTOQJQBSA-N 1 0 316.401 3.001 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001229381671 1097309418 /nfs/dbraw/zinc/30/94/18/1097309418.db2.gz VFNAGVUUGRPAOI-HBYGRHMLSA-N 1 0 310.781 3.357 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1CNC(=O)OC(C)(C)C ZINC001229589780 1097349848 /nfs/dbraw/zinc/34/98/48/1097349848.db2.gz HLZRIOJLWITUFK-AWEZNQCLSA-O 1 0 323.457 3.185 20 5 DGBDRO C[C@H](c1cccc(O[C@@H](C[N+](=O)[O-])c2cccnc2)c1)[NH+](C)C ZINC001229626397 1097354887 /nfs/dbraw/zinc/35/48/87/1097354887.db2.gz LVJRTNRADZGXHQ-DYVFJYSZSA-N 1 0 315.373 3.101 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(C)o2)c1F ZINC001173176149 1097355749 /nfs/dbraw/zinc/35/57/49/1097355749.db2.gz YUSJIVWKAAUHNL-JTQLQIEISA-N 1 0 322.336 3.365 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC(=[NH2+])C(C)(C)C)c1F ZINC001173177980 1097356233 /nfs/dbraw/zinc/35/62/33/1097356233.db2.gz ZCIMHVAWPBPBIN-VIFPVBQESA-N 1 0 311.357 3.286 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2C=CCCC2)c1F ZINC001173178808 1097357186 /nfs/dbraw/zinc/35/71/86/1097357186.db2.gz INHIVXCOSVQSKB-NWDGAFQWSA-N 1 0 308.353 3.372 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CC23CCC3)c1F ZINC001173182246 1097357213 /nfs/dbraw/zinc/35/72/13/1097357213.db2.gz RBELFAXDDDZWKT-QMTHXVAHSA-N 1 0 308.353 3.206 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2C[C@@H]2C2CC2)c1F ZINC001173186359 1097358146 /nfs/dbraw/zinc/35/81/46/1097358146.db2.gz RLZDCQNPDVZGNN-NDMJEZRESA-N 1 0 308.353 3.062 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)OCO2 ZINC001173216081 1097367487 /nfs/dbraw/zinc/36/74/87/1097367487.db2.gz KCGWJQUAEFIVER-GFCCVEGCSA-N 1 0 314.341 3.044 20 5 DGBDRO COc1cccc(F)c1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215354 1097367490 /nfs/dbraw/zinc/36/74/90/1097367490.db2.gz VIMXSFCNGPSXTE-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])c1ccc(Cl)nc1 ZINC001173215350 1097367517 /nfs/dbraw/zinc/36/75/17/1097367517.db2.gz VHAHJQWJFRBTNE-SNVBAGLBSA-N 1 0 318.764 3.189 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)c1ccccc1F ZINC001173216022 1097367696 /nfs/dbraw/zinc/36/76/96/1097367696.db2.gz HFBOBDQVCOVLCK-GFCCVEGCSA-N 1 0 316.332 3.137 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCc1ccccc1 ZINC001173215761 1097367707 /nfs/dbraw/zinc/36/77/07/1097367707.db2.gz ZIQVZLVKEHINCR-OAHLLOKOSA-N 1 0 314.385 3.332 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COCc2ccccc21 ZINC001173215894 1097367948 /nfs/dbraw/zinc/36/79/48/1097367948.db2.gz AWFJTXMSGWEEIG-FZKQIMNGSA-N 1 0 312.369 3.387 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC001173218037 1097369573 /nfs/dbraw/zinc/36/95/73/1097369573.db2.gz AMLAOCSYRPGETQ-HIFRSBDPSA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1ccc(C(=O)C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173220090 1097371415 /nfs/dbraw/zinc/37/14/15/1097371415.db2.gz TVGNXPNGPLMWEW-CQSZACIVSA-N 1 0 312.369 3.307 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001173221489 1097372108 /nfs/dbraw/zinc/37/21/08/1097372108.db2.gz IVRSZAONGIXPCN-HOCLYGCPSA-N 1 0 318.417 3.010 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncc(Cl)s1 ZINC001173220859 1097372394 /nfs/dbraw/zinc/37/23/94/1097372394.db2.gz HGUGBPMMOSOOCF-VIFPVBQESA-N 1 0 311.794 3.426 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001173222795 1097372858 /nfs/dbraw/zinc/37/28/58/1097372858.db2.gz CDZMGJBFRRXRGN-GZIXRCOHSA-N 1 0 304.390 3.025 20 5 DGBDRO Cc1nc2ccccn2c1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230694 1097376922 /nfs/dbraw/zinc/37/69/22/1097376922.db2.gz ZLINLQKWSMAFMK-CYBMUJFWSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ncc2c1cccc2C[NH3+] ZINC001173232176 1097377062 /nfs/dbraw/zinc/37/70/62/1097377062.db2.gz DGIQDQZAKULCJD-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231512 1097377686 /nfs/dbraw/zinc/37/76/86/1097377686.db2.gz LXVXJSDMPFBOGG-AJSFGMTHSA-N 1 0 304.390 3.168 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCOCC2)CC1 ZINC001173234600 1097378649 /nfs/dbraw/zinc/37/86/49/1097378649.db2.gz SIPZAUJKWUPLOW-OAHLLOKOSA-N 1 0 318.417 3.418 20 5 DGBDRO COC(=O)CCCCCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173209733 1097380734 /nfs/dbraw/zinc/38/07/34/1097380734.db2.gz FAZKVXYGPWKKBX-AWEZNQCLSA-N 1 0 322.405 3.239 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(F)cc1 ZINC001173208739 1097380848 /nfs/dbraw/zinc/38/08/48/1097380848.db2.gz BGYAQKINWSEGPX-ZDUSSCGKSA-N 1 0 302.349 3.497 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)cn1 ZINC001173214618 1097382603 /nfs/dbraw/zinc/38/26/03/1097382603.db2.gz CXVWYUFJAWZXNI-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1ncccn1 ZINC001173237787 1097392614 /nfs/dbraw/zinc/39/26/14/1097392614.db2.gz MSIZHWVYIXWWRT-CJNGLKHVSA-N 1 0 312.373 3.153 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Br)ccc2cccnc21 ZINC001229865434 1097401419 /nfs/dbraw/zinc/40/14/19/1097401419.db2.gz TXYNYBQVHJCTDA-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229881134 1097404475 /nfs/dbraw/zinc/40/44/75/1097404475.db2.gz NQPHCCJNBCNTKM-HALDLXJZSA-N 1 0 304.390 3.321 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2c(nn1)-c1ccccc1CCC2 ZINC001230056187 1097439164 /nfs/dbraw/zinc/43/91/64/1097439164.db2.gz VNDYQSBUOCNVSC-AWEZNQCLSA-N 1 0 312.437 3.106 20 5 DGBDRO Cc1ccc(OC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001230145738 1097451113 /nfs/dbraw/zinc/45/11/13/1097451113.db2.gz HJEMPAYPDQNWEC-UHFFFAOYSA-N 1 0 313.357 3.346 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001230493612 1097498257 /nfs/dbraw/zinc/49/82/57/1097498257.db2.gz GTGBMNKHIXNKDT-LBPRGKRZSA-N 1 0 323.349 3.063 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1cnc2c(cccc2[N+](=O)[O-])c1 ZINC001231159261 1097685297 /nfs/dbraw/zinc/68/52/97/1097685297.db2.gz URCMXQXTLONWCH-GFCCVEGCSA-N 1 0 303.362 3.252 20 5 DGBDRO C[C@@H]1COCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218357 1097969761 /nfs/dbraw/zinc/96/97/61/1097969761.db2.gz HBCLOYKSPUUAEO-AWEZNQCLSA-N 1 0 307.397 3.251 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1O ZINC001232218390 1097969900 /nfs/dbraw/zinc/96/99/00/1097969900.db2.gz HQCHIRXVHVQGAS-KSSFIOAISA-N 1 0 321.424 3.376 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@@]34CCOC4)nc12 ZINC001232228668 1097974110 /nfs/dbraw/zinc/97/41/10/1097974110.db2.gz UKGSDYUHTPIGTI-IBGZPJMESA-N 1 0 305.381 3.148 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC001175982660 1098218510 /nfs/dbraw/zinc/21/85/10/1098218510.db2.gz IYXCSLJVIVLMAV-CYBMUJFWSA-N 1 0 321.421 3.456 20 5 DGBDRO Cc1cc(F)ccc1[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001176037479 1098239798 /nfs/dbraw/zinc/23/97/98/1098239798.db2.gz WBCLCHPYGARQCT-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ncccc1OCc1ccccc1 ZINC001233631147 1098393544 /nfs/dbraw/zinc/39/35/44/1098393544.db2.gz ROPWOMATRKLZCV-OAHLLOKOSA-N 1 0 301.410 3.134 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncccc1OCc1ccccc1 ZINC001233631146 1098393961 /nfs/dbraw/zinc/39/39/61/1098393961.db2.gz ROPWOMATRKLZCV-HNNXBMFYSA-N 1 0 301.410 3.134 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c3cccnc3ccc1[N+](=O)[O-])C2 ZINC001233779449 1098430111 /nfs/dbraw/zinc/43/01/11/1098430111.db2.gz RKQUPEIWROMEBF-CLLJXQQHSA-N 1 0 313.357 3.147 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233787664 1098431439 /nfs/dbraw/zinc/43/14/39/1098431439.db2.gz YYHXQYIQLRLYOX-GFCCVEGCSA-N 1 0 301.346 3.006 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233787513 1098431578 /nfs/dbraw/zinc/43/15/78/1098431578.db2.gz YKDWPACTDJKTJK-CYBMUJFWSA-N 1 0 315.373 3.395 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001233835880 1098440359 /nfs/dbraw/zinc/44/03/59/1098440359.db2.gz FRCNCQZSWFDGIG-CYBMUJFWSA-N 1 0 301.346 3.006 20 5 DGBDRO CCCCC1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001176848803 1098449790 /nfs/dbraw/zinc/44/97/90/1098449790.db2.gz FQYKDDVXDUMAIE-UHFFFAOYSA-N 1 0 308.378 3.295 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2cc(Cl)c(Cl)cc21 ZINC001234024948 1098479285 /nfs/dbraw/zinc/47/92/85/1098479285.db2.gz CJAYXRAFTTUJMD-SECBINFHSA-N 1 0 315.224 3.410 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccccc1O ZINC001177590066 1098560034 /nfs/dbraw/zinc/56/00/34/1098560034.db2.gz FXFYFDRMRVNPAB-UHFFFAOYSA-N 1 0 316.357 3.031 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(=O)oc(-c2ccccc2Cl)c1 ZINC001234834792 1098674414 /nfs/dbraw/zinc/67/44/14/1098674414.db2.gz KQJOFEPWGKJPLO-LBPRGKRZSA-N 1 0 322.812 3.434 20 5 DGBDRO C[C@H](C[NH2+]Cc1cccc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC001179686389 1099163775 /nfs/dbraw/zinc/16/37/75/1099163775.db2.gz XKTFFCBWYNDDLT-GFCCVEGCSA-N 1 0 310.357 3.364 20 5 DGBDRO CC1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC001180253778 1099359308 /nfs/dbraw/zinc/35/93/08/1099359308.db2.gz RELYVXNIKSWCGG-UHFFFAOYSA-N 1 0 303.406 3.297 20 5 DGBDRO C[C@H](C(=O)Nc1cc2cccnc2c2ncccc12)[NH+]1CCCC1 ZINC001180584864 1099466542 /nfs/dbraw/zinc/46/65/42/1099466542.db2.gz WZGSFLCVUKSPCY-CYBMUJFWSA-N 1 0 320.396 3.206 20 5 DGBDRO C[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001187624550 1099559924 /nfs/dbraw/zinc/55/99/24/1099559924.db2.gz DQUGIJFEQIMXNJ-NSHDSACASA-N 1 0 324.812 3.096 20 5 DGBDRO CO[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1N ZINC001237101806 1099968764 /nfs/dbraw/zinc/96/87/64/1099968764.db2.gz KLXYYUWLPKILOX-VQTJNVASSA-N 1 0 306.409 3.151 20 5 DGBDRO CCC1(CC)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001191539167 1100480758 /nfs/dbraw/zinc/48/07/58/1100480758.db2.gz DRSHEBIPZRGLKP-CYBMUJFWSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC001193260445 1100722707 /nfs/dbraw/zinc/72/27/07/1100722707.db2.gz IVSXQTKQUJXBNJ-CYBMUJFWSA-N 1 0 319.405 3.482 20 5 DGBDRO C[NH+]1C[C@]2(C)CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC001196632662 1101353423 /nfs/dbraw/zinc/35/34/23/1101353423.db2.gz WAJDTDAHVQNTTI-HZPDHXFCSA-N 1 0 323.824 3.022 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001197660281 1101626661 /nfs/dbraw/zinc/62/66/61/1101626661.db2.gz MGFFITMOLXCMTO-JTQLQIEISA-N 1 0 319.292 3.493 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCCC(C)(C)C1 ZINC001202176044 1102874970 /nfs/dbraw/zinc/87/49/70/1102874970.db2.gz IRRXQZUKWOGDEV-UHFFFAOYSA-N 1 0 319.449 3.423 20 5 DGBDRO Nc1ccc2cc3ccc(Nc4cnc(N)nc4)cc3[nH+]c2c1 ZINC001212965109 1103440471 /nfs/dbraw/zinc/44/04/71/1103440471.db2.gz GLWHNHBGLMIGBN-UHFFFAOYSA-N 1 0 302.341 3.086 20 5 DGBDRO COc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC001329359624 1104230300 /nfs/dbraw/zinc/23/03/00/1104230300.db2.gz JJRWIYYVHICFNH-UHFFFAOYSA-N 1 0 304.321 3.341 20 5 DGBDRO CCCC(CN)(CCC)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246496711 1104565301 /nfs/dbraw/zinc/56/53/01/1104565301.db2.gz PLEZEOYKQGUBGH-CQSZACIVSA-N 1 0 307.438 3.413 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001246988112 1104764619 /nfs/dbraw/zinc/76/46/19/1104764619.db2.gz OJINAGNNKYRSMB-YOEHRIQHSA-N 1 0 317.433 3.132 20 5 DGBDRO CC(C)([NH3+])Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247615939 1104937940 /nfs/dbraw/zinc/93/79/40/1104937940.db2.gz SNABVNCAQXXHGJ-UHFFFAOYSA-N 1 0 319.368 3.113 20 5 DGBDRO [NH3+]CCCCc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247689456 1104957157 /nfs/dbraw/zinc/95/71/57/1104957157.db2.gz YADPCJFMJYGQIU-UHFFFAOYSA-N 1 0 319.368 3.114 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001253094557 1105887495 /nfs/dbraw/zinc/88/74/95/1105887495.db2.gz FDPNQEAVDRPVKP-CABCVRRESA-N 1 0 305.422 3.286 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnccc1Cl ZINC001254531349 1106096638 /nfs/dbraw/zinc/09/66/38/1106096638.db2.gz DUCBGKUGZZIKFE-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)c1ccccc1F ZINC001254537548 1106097927 /nfs/dbraw/zinc/09/79/27/1106097927.db2.gz FMOTWBFJFXUYLR-GFCCVEGCSA-N 1 0 316.332 3.137 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1c2ccccc2nc1CC[NH3+] ZINC001254536642 1106098150 /nfs/dbraw/zinc/09/81/50/1106098150.db2.gz ROIYHRIIPMGQSI-CYBMUJFWSA-N 1 0 324.384 3.249 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1nc(CC[NH3+])c2ccccc21 ZINC001254540701 1106099025 /nfs/dbraw/zinc/09/90/25/1106099025.db2.gz UKIKGKCZSTUTLT-ZDUSSCGKSA-N 1 0 324.384 3.249 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cncc(Cl)c1 ZINC001254539006 1106099083 /nfs/dbraw/zinc/09/90/83/1106099083.db2.gz AISTYUOOTQWCOD-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nn(C)c2ccccc12 ZINC001254542878 1106099810 /nfs/dbraw/zinc/09/98/10/1106099810.db2.gz PMKHRXDZCLZZLO-CYBMUJFWSA-N 1 0 324.384 3.202 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2ncoc21 ZINC001254541322 1106099860 /nfs/dbraw/zinc/09/98/60/1106099860.db2.gz GOLWQONPQKCOIS-GFCCVEGCSA-N 1 0 311.341 3.457 20 5 DGBDRO CC(C)n1cnc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254546350 1106100301 /nfs/dbraw/zinc/10/03/01/1106100301.db2.gz RNCFGJXHJKIMIF-ZDUSSCGKSA-N 1 0 302.378 3.093 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001254550580 1106101469 /nfs/dbraw/zinc/10/14/69/1106101469.db2.gz MGXFMJHEDDKNSS-UKPHBRMFSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(C[NH3+])c(F)c1 ZINC001254548940 1106101502 /nfs/dbraw/zinc/10/15/02/1106101502.db2.gz NVQXDNPBKMYTOV-LLVKDONJSA-N 1 0 303.337 3.236 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(CCO)CC1 ZINC001254548477 1106101756 /nfs/dbraw/zinc/10/17/56/1106101756.db2.gz MLZKHLVQXFDPNK-VQCLRJIVSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2c1cnn2C ZINC001254549388 1106101781 /nfs/dbraw/zinc/10/17/81/1106101781.db2.gz SWRJKNOIKDXXSD-ZDUSSCGKSA-N 1 0 324.384 3.202 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)CCOCC2 ZINC001254563542 1106104054 /nfs/dbraw/zinc/10/40/54/1106104054.db2.gz YFOXBCCVRSHWFV-AWEZNQCLSA-N 1 0 304.390 3.028 20 5 DGBDRO CC(C)[N@H+](CCCCCO)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254564283 1106104856 /nfs/dbraw/zinc/10/48/56/1106104856.db2.gz KCNGVSHOKUSURU-OAHLLOKOSA-N 1 0 308.422 3.399 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C)(C)OC(C)(C)C1 ZINC001254566958 1106105140 /nfs/dbraw/zinc/10/51/40/1106105140.db2.gz VKLWIBIXHQVXNN-CYBMUJFWSA-N 1 0 306.406 3.415 20 5 DGBDRO Cc1cnc2c(c1)C[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254569074 1106106249 /nfs/dbraw/zinc/10/62/49/1106106249.db2.gz HOVGUPJKCNWARS-AWEZNQCLSA-N 1 0 311.385 3.288 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCc3cccnc31)C2 ZINC001254575350 1106106712 /nfs/dbraw/zinc/10/67/12/1106106712.db2.gz PUSAFUZSDWPBCX-RDJZCZTQSA-N 1 0 309.369 3.124 20 5 DGBDRO Cc1c(F)cccc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573210 1106106930 /nfs/dbraw/zinc/10/69/30/1106106930.db2.gz AACUAWYCTCRLMQ-OAHLLOKOSA-N 1 0 300.333 3.299 20 5 DGBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCO2 ZINC001254582760 1106108443 /nfs/dbraw/zinc/10/84/43/1106108443.db2.gz XCAKLRULCNRXFR-QAPCUYQASA-N 1 0 324.380 3.484 20 5 DGBDRO Cc1nc([C@@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC001254581040 1106108459 /nfs/dbraw/zinc/10/84/59/1106108459.db2.gz IJRFYAGQZABPIE-RNCFNFMXSA-N 1 0 303.387 3.178 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1C3CC4CC(C3)CC1C4)C2 ZINC001254581782 1106108588 /nfs/dbraw/zinc/10/85/88/1106108588.db2.gz MPHBKCCARFJQMZ-XDQIGQSKSA-N 1 0 312.413 3.476 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCc3ccc(F)cc31)C2 ZINC001254579633 1106108612 /nfs/dbraw/zinc/10/86/12/1106108612.db2.gz UPRBZCBRWOINNH-QAPCUYQASA-N 1 0 312.344 3.478 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C2 ZINC001254585247 1106109169 /nfs/dbraw/zinc/10/91/69/1106109169.db2.gz CIOFDRWKAOVARF-BXUZGUMPSA-N 1 0 310.344 3.477 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(Cc3cccnc3)CC1)C2 ZINC001254585751 1106109216 /nfs/dbraw/zinc/10/92/16/1106109216.db2.gz FOTCTKVKXWXPLO-KRWDZBQOSA-N 1 0 323.396 3.070 20 5 DGBDRO Cc1nc2cc(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)ccc2o1 ZINC001254585874 1106109250 /nfs/dbraw/zinc/10/92/50/1106109250.db2.gz XYIITCGUFSRJCM-HNNXBMFYSA-N 1 0 323.352 3.301 20 5 DGBDRO COc1cccc(C2([NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254587787 1106109311 /nfs/dbraw/zinc/10/93/11/1106109311.db2.gz ZJYPIJXZQOOMIS-INIZCTEOSA-N 1 0 324.380 3.350 20 5 DGBDRO CC(C)CC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCOCC1 ZINC001254587964 1106109313 /nfs/dbraw/zinc/10/93/13/1106109313.db2.gz SWZGNJDJKPCLOW-INIZCTEOSA-N 1 0 318.417 3.247 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H]1c1ccncc1)C2 ZINC001254599576 1106110509 /nfs/dbraw/zinc/11/05/09/1106110509.db2.gz MUVHCBFZHNOEAA-QZTJIDSGSA-N 1 0 309.369 3.294 20 5 DGBDRO COc1cccc(C[N@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254599094 1106110967 /nfs/dbraw/zinc/11/09/67/1106110967.db2.gz KHWWGBDEYYGDKC-QGZVFWFLSA-N 1 0 312.369 3.203 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](F)C(F)(F)CC1)C2 ZINC001254600972 1106111738 /nfs/dbraw/zinc/11/17/38/1106111738.db2.gz XINNRNQVCJTTGW-ZIAGYGMSSA-N 1 0 314.307 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCOC3(CCCCC3)C1)C2 ZINC001254609568 1106112321 /nfs/dbraw/zinc/11/23/21/1106112321.db2.gz XLEDOEINCMBZQM-KRWDZBQOSA-N 1 0 316.401 3.097 20 5 DGBDRO COc1cccc2c1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254607273 1106112391 /nfs/dbraw/zinc/11/23/91/1106112391.db2.gz KOTGXFLQTNAORA-KRWDZBQOSA-N 1 0 324.380 3.129 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCc3c(F)cccc3C1)C2 ZINC001254609825 1106112515 /nfs/dbraw/zinc/11/25/15/1106112515.db2.gz YXUXTEBJGCCBPV-MRXNPFEDSA-N 1 0 312.344 3.259 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CCCCO)o1 ZINC001320914433 1107187071 /nfs/dbraw/zinc/18/70/71/1107187071.db2.gz IDLSZXUQTIJKRI-UHFFFAOYSA-N 1 0 324.764 3.370 20 5 DGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC001261263902 1107383183 /nfs/dbraw/zinc/38/31/83/1107383183.db2.gz WGOWWDACCBPWCX-UHFFFAOYSA-N 1 0 313.785 3.307 20 5 DGBDRO Cc1c(OC(=O)c2ccc3c[nH+]cn3c2C)cccc1[N+](=O)[O-] ZINC001325202191 1108592823 /nfs/dbraw/zinc/59/28/23/1108592823.db2.gz UBKGASAKGKVIIT-UHFFFAOYSA-N 1 0 311.297 3.079 20 5 DGBDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC001319832849 1108655790 /nfs/dbraw/zinc/65/57/90/1108655790.db2.gz UTLLOTFPHLGDCL-KYZJMWGYSA-N 1 0 303.406 3.070 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001306982711 1111257337 /nfs/dbraw/zinc/25/73/37/1111257337.db2.gz OIRJTRMBCMWWBB-ZIAGYGMSSA-N 1 0 318.421 3.153 20 5 DGBDRO CC[NH+](CC)CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001307092909 1111264936 /nfs/dbraw/zinc/26/49/36/1111264936.db2.gz BTGJYEBTKJRUDN-UHFFFAOYSA-N 1 0 306.410 3.012 20 5 DGBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC001307121348 1111268508 /nfs/dbraw/zinc/26/85/08/1111268508.db2.gz WSGLWZQLKREEBO-UHFFFAOYSA-N 1 0 320.437 3.327 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001307606981 1111319167 /nfs/dbraw/zinc/31/91/67/1111319167.db2.gz VRIWXECSTVNOOT-QWHCGFSZSA-N 1 0 319.405 3.290 20 5 DGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001307779343 1111338752 /nfs/dbraw/zinc/33/87/52/1111338752.db2.gz SOOABSCDUJZJCG-HZPDHXFCSA-N 1 0 322.405 3.155 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)C2CCCCC2)c1 ZINC001307858916 1111346926 /nfs/dbraw/zinc/34/69/26/1111346926.db2.gz DLCMLLSJZHLVRO-GFCCVEGCSA-N 1 0 320.389 3.440 20 5 DGBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC001307899889 1111353380 /nfs/dbraw/zinc/35/33/80/1111353380.db2.gz NQXCPFGEIVAPBT-AWEZNQCLSA-N 1 0 320.389 3.007 20 5 DGBDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001308065152 1111373266 /nfs/dbraw/zinc/37/32/66/1111373266.db2.gz YUEHKSBSSHUPMR-HNNXBMFYSA-N 1 0 322.405 3.253 20 5 DGBDRO Cc1c(CN2CC[N@H+](C3CCCC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001308079817 1111375461 /nfs/dbraw/zinc/37/54/61/1111375461.db2.gz PULHAUHHUDHSTL-AWEZNQCLSA-N 1 0 317.433 3.352 20 5 DGBDRO Cc1cccc(C)c1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001308112383 1111379133 /nfs/dbraw/zinc/37/91/33/1111379133.db2.gz FSONJFFRMRKPHI-SFHVURJKSA-N 1 0 314.385 3.377 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C2CCCC2)C1 ZINC001308157945 1111387277 /nfs/dbraw/zinc/38/72/77/1111387277.db2.gz RLVIFOWXWYGWJZ-HNNXBMFYSA-N 1 0 306.410 3.002 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001308157946 1111387440 /nfs/dbraw/zinc/38/74/40/1111387440.db2.gz RLVIFOWXWYGWJZ-OAHLLOKOSA-N 1 0 306.410 3.002 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001308201920 1111396801 /nfs/dbraw/zinc/39/68/01/1111396801.db2.gz XEOMIROWSHDPDV-HUUCEWRRSA-N 1 0 305.422 3.256 20 5 DGBDRO CCC(=O)Nc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001308205102 1111397510 /nfs/dbraw/zinc/39/75/10/1111397510.db2.gz QRWADEHREOXPAK-UHFFFAOYSA-N 1 0 313.357 3.233 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cccc(O)c1 ZINC001308347850 1111419740 /nfs/dbraw/zinc/41/97/40/1111419740.db2.gz NZLGZLODFMTKCD-UHFFFAOYSA-N 1 0 306.749 3.286 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC001308357042 1111421108 /nfs/dbraw/zinc/42/11/08/1111421108.db2.gz LVLBMRCHTBHFGI-OAHLLOKOSA-N 1 0 312.369 3.293 20 5 DGBDRO COc1cc(C[NH2+]CC2C(C)(C)C2(C)C)c([N+](=O)[O-])cc1O ZINC001308379736 1111423775 /nfs/dbraw/zinc/42/37/75/1111423775.db2.gz LJLXYVFBWVEDSW-UHFFFAOYSA-N 1 0 308.378 3.081 20 5 DGBDRO CCCn1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC001308534873 1111439658 /nfs/dbraw/zinc/43/96/58/1111439658.db2.gz LCPZGSMEAIYGMP-CYBMUJFWSA-N 1 0 316.405 3.403 20 5 DGBDRO C[C@@H]([N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(C)CC1 ZINC000128870298 432002222 /nfs/dbraw/zinc/00/22/22/432002222.db2.gz ULPHFDVXRGERFA-LLVKDONJSA-N 1 0 323.368 3.183 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000286547683 219048055 /nfs/dbraw/zinc/04/80/55/219048055.db2.gz ZJPKEWZTKLLBHS-CYBMUJFWSA-N 1 0 306.410 3.101 20 5 DGBDRO COCC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278753461 214376873 /nfs/dbraw/zinc/37/68/73/214376873.db2.gz QJLLVWJSZGZBMO-VIFPVBQESA-N 1 0 306.284 3.128 20 5 DGBDRO O=[N+]([O-])c1cccc2c(NCC[NH+]3CCCCC3)ccnc21 ZINC000317271234 231159692 /nfs/dbraw/zinc/15/96/92/231159692.db2.gz BZJOYKTZLGWPLH-UHFFFAOYSA-N 1 0 300.362 3.041 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000319368372 231182724 /nfs/dbraw/zinc/18/27/24/231182724.db2.gz YKJBJCVJCWKCOG-UAGQMJEPSA-N 1 0 304.390 3.029 20 5 DGBDRO Cn1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000278777578 214395065 /nfs/dbraw/zinc/39/50/65/214395065.db2.gz PHKVGXDTGORLDH-UHFFFAOYSA-N 1 0 313.279 3.242 20 5 DGBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000428443322 529574940 /nfs/dbraw/zinc/57/49/40/529574940.db2.gz YFJMPSCXDPNRGP-QGZVFWFLSA-N 1 0 316.357 3.202 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000090085676 185281369 /nfs/dbraw/zinc/28/13/69/185281369.db2.gz HWSVZCUUNVVJBD-QWHCGFSZSA-N 1 0 324.421 3.441 20 5 DGBDRO C[C@H](O)CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000279090042 214629412 /nfs/dbraw/zinc/62/94/12/214629412.db2.gz NIOYUGYVORLMIA-OFQRWUPVSA-N 1 0 306.406 3.057 20 5 DGBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000181460843 199299762 /nfs/dbraw/zinc/29/97/62/199299762.db2.gz KPMUNWGJTOXUTL-DOMZBBRYSA-N 1 0 312.797 3.231 20 5 DGBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413260663 529886688 /nfs/dbraw/zinc/88/66/88/529886688.db2.gz CYCKMQZHNLTASA-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000279380718 214835845 /nfs/dbraw/zinc/83/58/45/214835845.db2.gz XUGOQXSNNQHHBQ-DGCLKSJQSA-N 1 0 305.378 3.010 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000330830410 232099984 /nfs/dbraw/zinc/09/99/84/232099984.db2.gz JOSMPRXPTUASSK-RYUDHWBXSA-N 1 0 319.405 3.256 20 5 DGBDRO CC[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000181736377 199345742 /nfs/dbraw/zinc/34/57/42/199345742.db2.gz CAQLPEXNHLLZJS-INIZCTEOSA-N 1 0 314.389 3.297 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000104078508 432014121 /nfs/dbraw/zinc/01/41/21/432014121.db2.gz XVUGROPKMQQLPE-ZIAGYGMSSA-N 1 0 319.405 3.495 20 5 DGBDRO CC(=O)c1cc(NCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000286952994 219241918 /nfs/dbraw/zinc/24/19/18/219241918.db2.gz MREFGQMKQXHHHO-UHFFFAOYSA-N 1 0 307.394 3.328 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC1CCC1 ZINC000279811396 215166268 /nfs/dbraw/zinc/16/62/68/215166268.db2.gz ONPQVESVJIDKTE-XJKSGUPXSA-N 1 0 306.406 3.057 20 5 DGBDRO CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000130289030 432020783 /nfs/dbraw/zinc/02/07/83/432020783.db2.gz XBIKEJDUHWNPFI-FUHWJXTLSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000187998217 186241485 /nfs/dbraw/zinc/24/14/85/186241485.db2.gz SZWOHWWKVIVJMQ-IIAWOOMASA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCCC1(C)C ZINC000191849182 186263893 /nfs/dbraw/zinc/26/38/93/186263893.db2.gz KQVCSVRFSJGPMD-AWEZNQCLSA-N 1 0 305.378 3.010 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCSC1 ZINC000288413412 186594191 /nfs/dbraw/zinc/59/41/91/186594191.db2.gz JCNZZHQHYUYYLF-SNVBAGLBSA-N 1 0 300.811 3.481 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000277150191 213329296 /nfs/dbraw/zinc/32/92/96/213329296.db2.gz JPCZMEWPKMRGDI-AWEZNQCLSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000174816803 198389259 /nfs/dbraw/zinc/38/92/59/198389259.db2.gz HUKWDLBLJAHSKF-HNNXBMFYSA-N 1 0 320.780 3.282 20 5 DGBDRO COc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000131707653 432035175 /nfs/dbraw/zinc/03/51/75/432035175.db2.gz HRWYNLKQVKRMJY-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000003566799 181035782 /nfs/dbraw/zinc/03/57/82/181035782.db2.gz RLFKZATYTWNHBG-ZDUSSCGKSA-N 1 0 313.357 3.193 20 5 DGBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000080278497 192020339 /nfs/dbraw/zinc/02/03/39/192020339.db2.gz OQRXWTUIYDMRIR-ZDUSSCGKSA-N 1 0 307.375 3.171 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000165301962 432054248 /nfs/dbraw/zinc/05/42/48/432054248.db2.gz MLBCKPXSZKHDMQ-UKRRQHHQSA-N 1 0 305.422 3.286 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000166280178 432059751 /nfs/dbraw/zinc/05/97/51/432059751.db2.gz XMLWLPXJWVTFPM-MELADBBJSA-N 1 0 303.406 3.179 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281507 432060211 /nfs/dbraw/zinc/06/02/11/432060211.db2.gz ZHINZWBZWUOYPJ-YUTCNCBUSA-N 1 0 303.406 3.179 20 5 DGBDRO CCOc1cc(C[N@H+](C)CCc2ccccn2)ccc1[N+](=O)[O-] ZINC000276923602 213179143 /nfs/dbraw/zinc/17/91/43/213179143.db2.gz PMSFMBCRPKGTJZ-UHFFFAOYSA-N 1 0 315.373 3.063 20 5 DGBDRO C[C@@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCO1 ZINC000167024490 432063873 /nfs/dbraw/zinc/06/38/73/432063873.db2.gz NFAUVCKHHUTLTC-WBVHZDCISA-N 1 0 304.390 3.075 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000276880950 213152345 /nfs/dbraw/zinc/15/23/45/213152345.db2.gz ISPJOMTXOGNDEV-LBPRGKRZSA-N 1 0 301.346 3.239 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C1CCC1)C1CCC1 ZINC000292341107 223006811 /nfs/dbraw/zinc/00/68/11/223006811.db2.gz GSXIVBBPYLONNC-UHFFFAOYSA-N 1 0 317.389 3.249 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000179396308 199028662 /nfs/dbraw/zinc/02/86/62/199028662.db2.gz DAYSYWDJDWQRRZ-ZDUSSCGKSA-N 1 0 316.357 3.466 20 5 DGBDRO C[C@@]1(O)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000180186139 199128068 /nfs/dbraw/zinc/12/80/68/199128068.db2.gz ROBHWUHRASORPC-MRXNPFEDSA-N 1 0 318.398 3.280 20 5 DGBDRO CCC[N@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000179916448 432075016 /nfs/dbraw/zinc/07/50/16/432075016.db2.gz CNPUPWBJEGWKEH-UHFFFAOYSA-N 1 0 318.320 3.089 20 5 DGBDRO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000187561332 200128655 /nfs/dbraw/zinc/12/86/55/200128655.db2.gz WFJOLTVUKLTTJV-YOEHRIQHSA-N 1 0 306.406 3.449 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H](C)C1 ZINC000187936633 200178938 /nfs/dbraw/zinc/17/89/38/200178938.db2.gz QSOLJBGIQGNYPE-ZDUSSCGKSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H](C)C1 ZINC000187936657 200179171 /nfs/dbraw/zinc/17/91/71/200179171.db2.gz QSOLJBGIQGNYPE-CYBMUJFWSA-N 1 0 319.405 3.354 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000276193892 212723259 /nfs/dbraw/zinc/72/32/59/212723259.db2.gz HNXPZEFFILUITC-GFCCVEGCSA-N 1 0 309.797 3.170 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNc1ccccn1 ZINC000449224279 296006976 /nfs/dbraw/zinc/00/69/76/296006976.db2.gz LEJLLAVKSQIUSF-AWEZNQCLSA-N 1 0 314.389 3.013 20 5 DGBDRO CC[C@@](C)(O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180494815 432088016 /nfs/dbraw/zinc/08/80/16/432088016.db2.gz OWYVOAXLPQKLOD-QZTJIDSGSA-N 1 0 314.385 3.435 20 5 DGBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000424368583 237895620 /nfs/dbraw/zinc/89/56/20/237895620.db2.gz APIYPYSNXDCCBV-HZPDHXFCSA-N 1 0 315.373 3.214 20 5 DGBDRO CN(C)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000428095988 238009070 /nfs/dbraw/zinc/00/90/70/238009070.db2.gz AOXMYHBTGYJDBI-VQHVLOKHSA-N 1 0 317.433 3.414 20 5 DGBDRO CCC[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281139004 283561060 /nfs/dbraw/zinc/56/10/60/283561060.db2.gz UJZOQJNHAWSZOF-QRQCRPRQSA-N 1 0 324.446 3.327 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCOC2(CCCCC2)C1 ZINC000430220696 238071193 /nfs/dbraw/zinc/07/11/93/238071193.db2.gz PKUFAMKKURQRFH-UHFFFAOYSA-N 1 0 320.389 3.139 20 5 DGBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429573764 238055888 /nfs/dbraw/zinc/05/58/88/238055888.db2.gz BWDHZGKQMUOCLQ-BXUZGUMPSA-N 1 0 316.361 3.265 20 5 DGBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCCSC1 ZINC000433188125 238149399 /nfs/dbraw/zinc/14/93/99/238149399.db2.gz LJPRBYNHBQDEGU-HNNXBMFYSA-N 1 0 324.446 3.247 20 5 DGBDRO COC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000433202769 238150577 /nfs/dbraw/zinc/15/05/77/238150577.db2.gz TZXPOKHHKUMZAI-NVXWUHKLSA-N 1 0 322.405 3.002 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000433819933 238169764 /nfs/dbraw/zinc/16/97/64/238169764.db2.gz LFESKZOZNVFFGE-NSHDSACASA-N 1 0 311.332 3.302 20 5 DGBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[N@@H+]2C2CC2)c(Cl)c1 ZINC000434797631 238247410 /nfs/dbraw/zinc/24/74/10/238247410.db2.gz ZMUVLCFWYOWKJC-HNNXBMFYSA-N 1 0 323.824 3.355 20 5 DGBDRO Cc1nc(NCCCc2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000268496044 432094771 /nfs/dbraw/zinc/09/47/71/432094771.db2.gz PCVXCYANCISFBN-UHFFFAOYSA-N 1 0 311.345 3.219 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])c1ccco1 ZINC000193397305 201044845 /nfs/dbraw/zinc/04/48/45/201044845.db2.gz WZRXYEDSUAFBLL-OAHLLOKOSA-N 1 0 318.377 3.265 20 5 DGBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C ZINC000246112998 432096563 /nfs/dbraw/zinc/09/65/63/432096563.db2.gz SLXXLNZITLDXIM-WQGACYEGSA-N 1 0 320.389 3.376 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000194037219 201166841 /nfs/dbraw/zinc/16/68/41/201166841.db2.gz IMUUQEHMYFXGIA-DETPVDSQSA-N 1 0 319.405 3.256 20 5 DGBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268512315 432099380 /nfs/dbraw/zinc/09/93/80/432099380.db2.gz SKBUMPGGSRVWHC-UHFFFAOYSA-N 1 0 320.437 3.247 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000444225698 239270431 /nfs/dbraw/zinc/27/04/31/239270431.db2.gz RLNMTEZHEOKREI-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1cccc(CN(CCC[NH+]2CCCCC2)C2CC2)c1 ZINC000444603780 239305542 /nfs/dbraw/zinc/30/55/42/239305542.db2.gz XFLHRCHNZZYUOK-UHFFFAOYSA-N 1 0 317.433 3.435 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000444748423 239346017 /nfs/dbraw/zinc/34/60/17/239346017.db2.gz JMMUOCVSUJPGRU-CQSZACIVSA-N 1 0 319.405 3.210 20 5 DGBDRO Cc1cc(C)n(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000271813041 209237489 /nfs/dbraw/zinc/23/74/89/209237489.db2.gz RYBCAOYFONXRCN-CQSZACIVSA-N 1 0 302.378 3.067 20 5 DGBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000275470227 212353906 /nfs/dbraw/zinc/35/39/06/212353906.db2.gz NVDVZCSMNCEADN-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1ccn2cc(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])nc2c1 ZINC000449131382 240030645 /nfs/dbraw/zinc/03/06/45/240030645.db2.gz MGCLQFFROQWBJB-CQSZACIVSA-N 1 0 324.384 3.272 20 5 DGBDRO Cc1nc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449079078 240007110 /nfs/dbraw/zinc/00/71/10/240007110.db2.gz ZLAYQWNCIOZUKB-LLVKDONJSA-N 1 0 305.403 3.123 20 5 DGBDRO Cc1nc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449079079 240007114 /nfs/dbraw/zinc/00/71/14/240007114.db2.gz ZLAYQWNCIOZUKB-NSHDSACASA-N 1 0 305.403 3.123 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000449081463 240009585 /nfs/dbraw/zinc/00/95/85/240009585.db2.gz FMCNIHAOWQBLSI-OWCLPIDISA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000449173734 240050131 /nfs/dbraw/zinc/05/01/31/240050131.db2.gz GPIOBHMJDLNOAA-COXVUDFISA-N 1 0 306.406 3.057 20 5 DGBDRO COC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000449344106 240145729 /nfs/dbraw/zinc/14/57/29/240145729.db2.gz AVDRVAJSBNCALT-AWEZNQCLSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000449344123 240146464 /nfs/dbraw/zinc/14/64/64/240146464.db2.gz BAMGOUFBCDOJBW-ZDTYVGOBSA-N 1 0 315.417 3.024 20 5 DGBDRO Cc1[nH]nc2ncc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12 ZINC000449349044 240150726 /nfs/dbraw/zinc/15/07/26/240150726.db2.gz OEVLKSNAXRXWEA-JTQLQIEISA-N 1 0 311.345 3.025 20 5 DGBDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449378196 240166512 /nfs/dbraw/zinc/16/65/12/240166512.db2.gz CXHCAKWQTAYEGN-VIFPVBQESA-N 1 0 312.313 3.103 20 5 DGBDRO CO[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000449503994 240249775 /nfs/dbraw/zinc/24/97/75/240249775.db2.gz VILOTEVKXPLQDM-IOBAAEILSA-N 1 0 304.390 3.355 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000449463830 240223094 /nfs/dbraw/zinc/22/30/94/240223094.db2.gz WXXXCULGNXIGJX-ZMSDIMECSA-N 1 0 304.390 3.029 20 5 DGBDRO CC[C@](C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000449480733 240232181 /nfs/dbraw/zinc/23/21/81/240232181.db2.gz ZKJBRKZPXYXWQF-CQSZACIVSA-N 1 0 318.320 3.101 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449482404 240235006 /nfs/dbraw/zinc/23/50/06/240235006.db2.gz YJDRNRHXKPLICB-HUUCEWRRSA-N 1 0 318.417 3.465 20 5 DGBDRO CCO[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449493524 240243894 /nfs/dbraw/zinc/24/38/94/240243894.db2.gz LOOXNOSRSGQVKM-KLYJYZACSA-N 1 0 304.390 3.355 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC2(CO)CC2)o1 ZINC000449580341 240301346 /nfs/dbraw/zinc/30/13/46/240301346.db2.gz PIUZHHWDJASGKM-UHFFFAOYSA-N 1 0 316.357 3.107 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560053 240287598 /nfs/dbraw/zinc/28/75/98/240287598.db2.gz FKBXZNOBOGOERA-PYNFMYHXSA-N 1 0 315.417 3.213 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3CO)o2)c1 ZINC000449707093 240376708 /nfs/dbraw/zinc/37/67/08/240376708.db2.gz PVMSBKDOGJLWMP-BBRMVZONSA-N 1 0 316.357 3.105 20 5 DGBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000449728614 240384175 /nfs/dbraw/zinc/38/41/75/240384175.db2.gz WJLNHEYUUWJMLS-HIFRSBDPSA-N 1 0 319.408 3.245 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000171128763 432106718 /nfs/dbraw/zinc/10/67/18/432106718.db2.gz LFOISFAWIHRLJM-VXGBXAGGSA-N 1 0 320.389 3.376 20 5 DGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091892379 193123103 /nfs/dbraw/zinc/12/31/03/193123103.db2.gz AAHXIQCQTFFJTH-PRPGUUAMSA-N 1 0 315.417 3.167 20 5 DGBDRO CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451291587 241072193 /nfs/dbraw/zinc/07/21/93/241072193.db2.gz PUJRTEQMQULHKN-QGZVFWFLSA-N 1 0 319.405 3.094 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCc3cscn3)C2)cc1 ZINC000451543717 241164556 /nfs/dbraw/zinc/16/45/56/241164556.db2.gz CFWKGNUYXIQFKP-AWEZNQCLSA-N 1 0 317.414 3.473 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCC34CCCC4)nc2c1 ZINC000451458126 241128575 /nfs/dbraw/zinc/12/85/75/241128575.db2.gz NZOQIMJQQZITBA-AWEZNQCLSA-N 1 0 300.362 3.284 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000189980968 432109986 /nfs/dbraw/zinc/10/99/86/432109986.db2.gz SRRUWMYGCMBMOZ-GOEBONIOSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@H](CCO)C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000271791424 209218926 /nfs/dbraw/zinc/21/89/26/209218926.db2.gz GWCBOKFOFXNKQV-NFBGWVBBSA-N 1 0 318.417 3.386 20 5 DGBDRO Cc1cc(NC(=O)NC(C)(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455082222 242103804 /nfs/dbraw/zinc/10/38/04/242103804.db2.gz IVQXNZVBRYEQBJ-UHFFFAOYSA-N 1 0 322.409 3.145 20 5 DGBDRO CC(C)c1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253673 193180196 /nfs/dbraw/zinc/18/01/96/193180196.db2.gz XFFXYEAGEPRDOQ-INIZCTEOSA-N 1 0 319.449 3.492 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1O ZINC000190047438 432117258 /nfs/dbraw/zinc/11/72/58/432117258.db2.gz PFMHNSLPRXTFNE-WBMJQRKESA-N 1 0 316.357 3.058 20 5 DGBDRO CCC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000459812516 243509784 /nfs/dbraw/zinc/50/97/84/243509784.db2.gz VTORTGSHIRVZBL-MRXNPFEDSA-N 1 0 319.405 3.400 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000111398510 284078069 /nfs/dbraw/zinc/07/80/69/284078069.db2.gz ZJNDIPFHVZWICN-HOTGVXAUSA-N 1 0 312.369 3.497 20 5 DGBDRO C[C@H](Cc1ccccc1F)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000468003429 244013636 /nfs/dbraw/zinc/01/36/36/244013636.db2.gz IKKMIBYJQPXZQL-CYBMUJFWSA-N 1 0 302.349 3.497 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000468005274 244014194 /nfs/dbraw/zinc/01/41/94/244014194.db2.gz OOSUJWFICNVHJZ-MRXNPFEDSA-N 1 0 312.369 3.121 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000468585760 244054707 /nfs/dbraw/zinc/05/47/07/244054707.db2.gz LLCYCABGPQUJDO-CRPZLVSXSA-N 1 0 318.417 3.385 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC[C@@H](C)C1 ZINC000468636380 244056884 /nfs/dbraw/zinc/05/68/84/244056884.db2.gz AGBKSCZSGKCWQN-DFSFMLJYSA-N 1 0 317.433 3.320 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1O ZINC000190062705 432119717 /nfs/dbraw/zinc/11/97/17/432119717.db2.gz XEXMEHOSGSGYLB-LRDDRELGSA-N 1 0 316.357 3.058 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000470179193 244156575 /nfs/dbraw/zinc/15/65/75/244156575.db2.gz UDCDELSQIFBUJQ-MAUPQMMJSA-N 1 0 304.390 3.497 20 5 DGBDRO CC[C@@]1(CO)CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470203110 244160114 /nfs/dbraw/zinc/16/01/14/244160114.db2.gz AKAICSUYPALKGW-SPQRHKFCSA-N 1 0 318.417 3.483 20 5 DGBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065230 212102591 /nfs/dbraw/zinc/10/25/91/212102591.db2.gz JMIQSDMJZUBISM-NHYWBVRUSA-N 1 0 311.813 3.020 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC1(C)CC1 ZINC000475210259 244457458 /nfs/dbraw/zinc/45/74/58/244457458.db2.gz GKNIEVFGXNFDBA-GFCCVEGCSA-N 1 0 305.378 3.092 20 5 DGBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)C(C)C ZINC000120264474 284164687 /nfs/dbraw/zinc/16/46/87/284164687.db2.gz GHAOTLKZMZYUQQ-ZDUSSCGKSA-N 1 0 307.394 3.208 20 5 DGBDRO COc1cc(C[NH+](CC2CC2)CC2CC2)c([N+](=O)[O-])cc1OC ZINC000093480102 193257516 /nfs/dbraw/zinc/25/75/16/193257516.db2.gz BFJKBVHPRVCIFO-UHFFFAOYSA-N 1 0 320.389 3.234 20 5 DGBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC(=O)OC(C)(C)C ZINC000093686552 193290234 /nfs/dbraw/zinc/29/02/34/193290234.db2.gz ILMPKJVYFFVOKS-VQHVLOKHSA-N 1 0 320.389 3.272 20 5 DGBDRO CCC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000120837798 284179608 /nfs/dbraw/zinc/17/96/08/284179608.db2.gz MCEOOPCCUDAAKH-AWEZNQCLSA-N 1 0 319.405 3.436 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000481752745 244776067 /nfs/dbraw/zinc/77/60/67/244776067.db2.gz WLPUEWJVFLYHQQ-IAGOWNOFSA-N 1 0 322.405 3.157 20 5 DGBDRO C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000121585090 284201522 /nfs/dbraw/zinc/20/15/22/284201522.db2.gz HELRPGQNRJUDJQ-CABCVRRESA-N 1 0 305.422 3.367 20 5 DGBDRO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C ZINC000488062781 245141280 /nfs/dbraw/zinc/14/12/80/245141280.db2.gz OTCVHTXPPZYQFR-ZFWWWQNUSA-N 1 0 322.405 3.240 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCC3CCCCC3)CC2)n1 ZINC000488729350 245224114 /nfs/dbraw/zinc/22/41/14/245224114.db2.gz GQCCPVBZBACGDL-UHFFFAOYSA-N 1 0 306.410 3.399 20 5 DGBDRO CO[C@H](C)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264990844 204328183 /nfs/dbraw/zinc/32/81/83/204328183.db2.gz XCIIVXWGQVNJHP-LLVKDONJSA-N 1 0 321.402 3.233 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000126717725 284314613 /nfs/dbraw/zinc/31/46/13/284314613.db2.gz OYHYRRAWKAJQOF-KRWDZBQOSA-N 1 0 322.368 3.240 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)O ZINC000274782431 211931581 /nfs/dbraw/zinc/93/15/81/211931581.db2.gz LDUUQNHUERJJLB-LBPRGKRZSA-N 1 0 312.435 3.216 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000268725565 432127351 /nfs/dbraw/zinc/12/73/51/432127351.db2.gz QNGWEXGKDCKOJX-CXAGYDPISA-N 1 0 300.358 3.287 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000271699803 209136271 /nfs/dbraw/zinc/13/62/71/209136271.db2.gz SHUMRRDOXVEZIN-DLBZAZTESA-N 1 0 300.358 3.369 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000268767310 432128172 /nfs/dbraw/zinc/12/81/72/432128172.db2.gz CIMDALYEDADBFJ-GUYCJALGSA-N 1 0 300.358 3.287 20 5 DGBDRO CCOCCN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000181478818 432129428 /nfs/dbraw/zinc/12/94/28/432129428.db2.gz SHHYBANNJVKXNJ-UHFFFAOYSA-N 1 0 321.402 3.187 20 5 DGBDRO Cn1cnc2cc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)ccc21 ZINC000282978478 217364635 /nfs/dbraw/zinc/36/46/35/217364635.db2.gz JDUTXDKRTNXXMK-UHFFFAOYSA-N 1 0 324.384 3.156 20 5 DGBDRO CC[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775134 432129951 /nfs/dbraw/zinc/12/99/51/432129951.db2.gz NMSSVPCCDBGELC-YESZJQIVSA-N 1 0 303.406 3.262 20 5 DGBDRO Cc1c(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000135628965 432130338 /nfs/dbraw/zinc/13/03/38/432130338.db2.gz OBAQNXUYKDRLKL-INIZCTEOSA-N 1 0 314.389 3.146 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000267039998 205764924 /nfs/dbraw/zinc/76/49/24/205764924.db2.gz MOARCUCNFMULQF-UHFFFAOYSA-N 1 0 304.394 3.199 20 5 DGBDRO Cc1cc(NC2CC[NH+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000267252678 205928839 /nfs/dbraw/zinc/92/88/39/205928839.db2.gz ZUNZMEVVPNISKW-UHFFFAOYSA-N 1 0 304.394 3.117 20 5 DGBDRO CCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC(C)(C)O ZINC000493907672 246095490 /nfs/dbraw/zinc/09/54/90/246095490.db2.gz PFMYZCGQEIXLTJ-UHFFFAOYSA-N 1 0 300.786 3.231 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000495431474 246268565 /nfs/dbraw/zinc/26/85/65/246268565.db2.gz CSKITQLMMFQJRV-LLVKDONJSA-N 1 0 312.797 3.195 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000271825564 209247284 /nfs/dbraw/zinc/24/72/84/209247284.db2.gz CZELQWYBXGJYRJ-XJKSGUPXSA-N 1 0 306.406 3.351 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246480306 432136484 /nfs/dbraw/zinc/13/64/84/432136484.db2.gz DEVOATOBVIVDKA-XHDPSFHLSA-N 1 0 310.781 3.249 20 5 DGBDRO Cc1cncc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000181831832 432147719 /nfs/dbraw/zinc/14/77/19/432147719.db2.gz PJKCYOWBHGLFGA-KRWDZBQOSA-N 1 0 311.385 3.409 20 5 DGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000041579357 183206355 /nfs/dbraw/zinc/20/63/55/183206355.db2.gz NSMKKWFTJBUEMX-UHFFFAOYSA-N 1 0 321.421 3.035 20 5 DGBDRO C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000043305013 183353563 /nfs/dbraw/zinc/35/35/63/183353563.db2.gz NIQCFWGLSIIRCS-CQSZACIVSA-N 1 0 319.748 3.147 20 5 DGBDRO C[NH+](C)C(C)(C)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000044420116 183409307 /nfs/dbraw/zinc/40/93/07/183409307.db2.gz QTFTXHXXLSNCHZ-UHFFFAOYSA-N 1 0 316.199 3.109 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3CCOCC3)CC2)c(F)c1 ZINC000153613717 284681044 /nfs/dbraw/zinc/68/10/44/284681044.db2.gz XLZPRWMODBYEAT-UHFFFAOYSA-N 1 0 322.380 3.373 20 5 DGBDRO COC1([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000421864124 284749277 /nfs/dbraw/zinc/74/92/77/284749277.db2.gz LGSVNRSPCVIWJD-KBPBESRZSA-N 1 0 322.405 3.138 20 5 DGBDRO Cc1cnc([C@H](C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000285211113 218335069 /nfs/dbraw/zinc/33/50/69/218335069.db2.gz ONFLZDPZSOCHLA-MWLCHTKSSA-N 1 0 320.418 3.396 20 5 DGBDRO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268865294 207034039 /nfs/dbraw/zinc/03/40/39/207034039.db2.gz HBPYVXWONJUDTM-GUYCJALGSA-N 1 0 300.358 3.153 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000245935592 284856125 /nfs/dbraw/zinc/85/61/25/284856125.db2.gz TXKSXGMOZVQGGA-BHYGNILZSA-N 1 0 318.417 3.465 20 5 DGBDRO Cc1nccn1CCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000268908334 207078172 /nfs/dbraw/zinc/07/81/72/207078172.db2.gz YDTQGAUNLGQCIX-CQSZACIVSA-N 1 0 316.405 3.101 20 5 DGBDRO CC[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000268957426 207120417 /nfs/dbraw/zinc/12/04/17/207120417.db2.gz WLKVWUJDWHIBKW-CYBMUJFWSA-N 1 0 319.327 3.130 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000269057996 207207589 /nfs/dbraw/zinc/20/75/89/207207589.db2.gz STBULUNRRXSGGG-LRDDRELGSA-N 1 0 318.373 3.141 20 5 DGBDRO COc1ccccc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208630 184314664 /nfs/dbraw/zinc/31/46/64/184314664.db2.gz MTYYWALPSFZVEL-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO C[NH+](C)CCOc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000119685064 195016682 /nfs/dbraw/zinc/01/66/82/195016682.db2.gz GWRKGYNRBIBOJE-UHFFFAOYSA-N 1 0 315.373 3.147 20 5 DGBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000249063173 285051846 /nfs/dbraw/zinc/05/18/46/285051846.db2.gz PWZYOIAVQLWNRP-QMCVQRASSA-N 1 0 318.417 3.463 20 5 DGBDRO COCc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000336851039 253006811 /nfs/dbraw/zinc/00/68/11/253006811.db2.gz CAAYTCQXHMHBIR-UHFFFAOYSA-N 1 0 300.358 3.339 20 5 DGBDRO COc1cc(N[C@@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000302460317 533036833 /nfs/dbraw/zinc/03/68/33/533036833.db2.gz VAHBNVOJNXHPCO-ZDUSSCGKSA-N 1 0 307.394 3.280 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000337308021 253082619 /nfs/dbraw/zinc/08/26/19/253082619.db2.gz SSDYPPUXVZEVJA-YPMHNXCESA-N 1 0 300.305 3.153 20 5 DGBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000337310881 253083707 /nfs/dbraw/zinc/08/37/07/253083707.db2.gz BPTXONYMVOPJRJ-ZDUSSCGKSA-N 1 0 319.405 3.291 20 5 DGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337240770 253068419 /nfs/dbraw/zinc/06/84/19/253068419.db2.gz FNRRKOSHPZNMOG-OAHLLOKOSA-N 1 0 319.405 3.434 20 5 DGBDRO CC(C)COCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000337261172 253073176 /nfs/dbraw/zinc/07/31/76/253073176.db2.gz XSGZXFGQGJXFIP-UHFFFAOYSA-N 1 0 322.405 3.111 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000337457597 253119771 /nfs/dbraw/zinc/11/97/71/253119771.db2.gz IOZPZJIRIOKHFW-ZDUSSCGKSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@@H]([NH2+]CCCO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000338280903 253256162 /nfs/dbraw/zinc/25/61/62/253256162.db2.gz DMNZNZZDDVLPPQ-CJNGLKHVSA-N 1 0 308.378 3.179 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000442789334 285115691 /nfs/dbraw/zinc/11/56/91/285115691.db2.gz YXFUMBYINMDQOZ-CYBMUJFWSA-N 1 0 307.353 3.333 20 5 DGBDRO C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000158708513 197295515 /nfs/dbraw/zinc/29/55/15/197295515.db2.gz RVTCRGJZWPVPQZ-LBPRGKRZSA-N 1 0 323.393 3.112 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+]C2(CO)CCCC2)c1 ZINC000339039767 253394555 /nfs/dbraw/zinc/39/45/55/253394555.db2.gz GHYDYCLRLICAPZ-UHFFFAOYSA-N 1 0 318.295 3.008 20 5 DGBDRO CCc1nocc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000339285401 253443832 /nfs/dbraw/zinc/44/38/32/253443832.db2.gz UUUPQVBICJAXHI-UHFFFAOYSA-N 1 0 303.362 3.258 20 5 DGBDRO COCC[C@@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130041286 285132411 /nfs/dbraw/zinc/13/24/11/285132411.db2.gz NIUHCCQEFBCXTB-FMKPAKJESA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1nc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000272904190 210290155 /nfs/dbraw/zinc/29/01/55/210290155.db2.gz IZXZSJPNLMQBHQ-TZMCWYRMSA-N 1 0 318.421 3.363 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)cc1 ZINC000451544410 285139530 /nfs/dbraw/zinc/13/95/30/285139530.db2.gz FFRUPPDNNBQICH-RDJZCZTQSA-N 1 0 304.390 3.343 20 5 DGBDRO CC(=O)c1cc(NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000286518075 219032746 /nfs/dbraw/zinc/03/27/46/219032746.db2.gz XGCFDEZEWUOLRC-UHFFFAOYSA-N 1 0 317.389 3.084 20 5 DGBDRO Cn1cc(Cl)cc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000120290828 195136382 /nfs/dbraw/zinc/13/63/82/195136382.db2.gz HCDQPGMRBWLAFH-UHFFFAOYSA-N 1 0 307.781 3.261 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425370793 285159831 /nfs/dbraw/zinc/15/98/31/285159831.db2.gz KGYITASYSINNSB-KRWDZBQOSA-N 1 0 316.401 3.376 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000157695823 197209019 /nfs/dbraw/zinc/20/90/19/197209019.db2.gz PHWQWBBMHDFBRB-BDJLRTHQSA-N 1 0 304.321 3.118 20 5 DGBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000342793481 254052238 /nfs/dbraw/zinc/05/22/38/254052238.db2.gz ZNKBUFDMPADZRQ-UHFFFAOYSA-N 1 0 315.295 3.287 20 5 DGBDRO CC[C@@H](C)[NH2+][C@H](CNc1nc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000343252168 254121021 /nfs/dbraw/zinc/12/10/21/254121021.db2.gz PZEWFOGQRSEETD-DGCLKSJQSA-N 1 0 318.377 3.433 20 5 DGBDRO CCOc1cc(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343800005 254190274 /nfs/dbraw/zinc/19/02/74/254190274.db2.gz XVMNMBCDUXOTGH-UKRRQHHQSA-N 1 0 319.405 3.057 20 5 DGBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344097898 254224917 /nfs/dbraw/zinc/22/49/17/254224917.db2.gz CMQIMJHALYSLGD-QMTHXVAHSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000343993505 254210644 /nfs/dbraw/zinc/21/06/44/254210644.db2.gz OJUCGVVCGJARDX-GXTWGEPZSA-N 1 0 317.389 3.044 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000430217175 533136713 /nfs/dbraw/zinc/13/67/13/533136713.db2.gz IRFNEEAIKIWBHB-INIZCTEOSA-N 1 0 322.405 3.024 20 5 DGBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+]CCc1c[nH]c2ncccc12 ZINC000344831066 254309190 /nfs/dbraw/zinc/30/91/90/254309190.db2.gz AUTGSDZVWPUWOW-ZZXKWVIFSA-N 1 0 322.368 3.317 20 5 DGBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1c[nH]nc1C ZINC000344852163 254310673 /nfs/dbraw/zinc/31/06/73/254310673.db2.gz IPBXIKXHVNCELZ-LCYFTJDESA-N 1 0 314.389 3.252 20 5 DGBDRO CCN1CCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344861822 254311646 /nfs/dbraw/zinc/31/16/46/254311646.db2.gz KADQQUMLGAKRNV-QXSWTLKVSA-N 1 0 303.406 3.072 20 5 DGBDRO CC(C)n1cc2c(n1)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000345024192 254323982 /nfs/dbraw/zinc/32/39/82/254323982.db2.gz TVSUSBKKYCINGG-HNNXBMFYSA-N 1 0 314.389 3.019 20 5 DGBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000156689083 197134064 /nfs/dbraw/zinc/13/40/64/197134064.db2.gz LYLDFNFSUWVGRL-INIZCTEOSA-N 1 0 320.776 3.246 20 5 DGBDRO Cc1ncsc1CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000294732407 224198252 /nfs/dbraw/zinc/19/82/52/224198252.db2.gz DLLQIZOGCJLYJG-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000291746748 285250365 /nfs/dbraw/zinc/25/03/65/285250365.db2.gz PPBITPLQRKVLQW-BZNIZROVSA-N 1 0 318.398 3.448 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000154022142 196931412 /nfs/dbraw/zinc/93/14/12/196931412.db2.gz DRJMRNOTJCLVJS-GXTWGEPZSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000120647630 195208474 /nfs/dbraw/zinc/20/84/74/195208474.db2.gz QISUGJZPEGDNIX-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000120733621 195226606 /nfs/dbraw/zinc/22/66/06/195226606.db2.gz OIKGKWMNEFAQJV-UHFFFAOYSA-N 1 0 321.421 3.097 20 5 DGBDRO C[NH+](C)Cc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000120720680 195223314 /nfs/dbraw/zinc/22/33/14/195223314.db2.gz WLMVKXVDZPZYDR-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000271565834 209017700 /nfs/dbraw/zinc/01/77/00/209017700.db2.gz XUWAPMTXARNWPA-WFASDCNBSA-N 1 0 314.389 3.306 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CO)cc1[N+](=O)[O-] ZINC000305125512 285291330 /nfs/dbraw/zinc/29/13/30/285291330.db2.gz LAWLEFBXOMERHY-ZDUSSCGKSA-N 1 0 300.358 3.246 20 5 DGBDRO CCn1nc(C)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000307967939 285303923 /nfs/dbraw/zinc/30/39/23/285303923.db2.gz UQPQSJAEGFQDEU-LLVKDONJSA-N 1 0 302.378 3.279 20 5 DGBDRO CCC[NH+]1CCC(Nc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000322145515 285306726 /nfs/dbraw/zinc/30/67/26/285306726.db2.gz KJOLFGRGGBGMBD-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289636288 221119991 /nfs/dbraw/zinc/11/99/91/221119991.db2.gz SFXWVVUXBBZFKH-CVEARBPZSA-N 1 0 302.374 3.128 20 5 DGBDRO COc1ccccc1C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000126058193 195806394 /nfs/dbraw/zinc/80/63/94/195806394.db2.gz QEOLDDAGEHPMJW-ZDUSSCGKSA-N 1 0 300.358 3.324 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000470178927 533383765 /nfs/dbraw/zinc/38/37/65/533383765.db2.gz PVYOXFYNAQKIOM-ZHKWONLHSA-N 1 0 316.401 3.357 20 5 DGBDRO C[C@@H](CCCO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000296625999 533560978 /nfs/dbraw/zinc/56/09/78/533560978.db2.gz XEAGAKBWLXSLOI-BLLLJJGKSA-N 1 0 306.406 3.315 20 5 DGBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000272551680 130041146 /nfs/dbraw/zinc/04/11/46/130041146.db2.gz KRSZQASGGSRDDI-ZFWWWQNUSA-N 1 0 323.392 3.149 20 5 DGBDRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000421887510 292137252 /nfs/dbraw/zinc/13/72/52/292137252.db2.gz VYCWTMGSMAYLCU-UONOGXRCSA-N 1 0 322.405 3.138 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000595040956 400086024 /nfs/dbraw/zinc/08/60/24/400086024.db2.gz NNUCBQPNZDQFMA-ABAIWWIYSA-N 1 0 310.394 3.050 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H](O)C(C)C ZINC000595043898 400086831 /nfs/dbraw/zinc/08/68/31/400086831.db2.gz BHRBETNWCZGZQS-WPGHFRTFSA-N 1 0 310.394 3.050 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1scnc1C ZINC000595043911 400087368 /nfs/dbraw/zinc/08/73/68/400087368.db2.gz ZKBUEOJTXBDWAG-JTQLQIEISA-N 1 0 321.402 3.262 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)C1(OC)CCC1 ZINC000595052020 400090229 /nfs/dbraw/zinc/09/02/29/400090229.db2.gz PMEMYUJHVCWDDN-VXGBXAGGSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOCC1CCCC1 ZINC000595054165 400091766 /nfs/dbraw/zinc/09/17/66/400091766.db2.gz YMTSOVYCPYSZPH-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO COCC1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595053543 400091780 /nfs/dbraw/zinc/09/17/80/400091780.db2.gz WBMNYIFCKVVMBW-IYXRBSQSSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000595054420 400091841 /nfs/dbraw/zinc/09/18/41/400091841.db2.gz NRFIGBOINRAVSP-SECBINFHSA-N 1 0 300.305 3.299 20 5 DGBDRO CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595056401 400093059 /nfs/dbraw/zinc/09/30/59/400093059.db2.gz GYTLFXZAWNACAI-RHSMWYFYSA-N 1 0 317.433 3.435 20 5 DGBDRO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595056686 400093543 /nfs/dbraw/zinc/09/35/43/400093543.db2.gz QODUYMDZGOGSMQ-WFASDCNBSA-N 1 0 303.406 3.045 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595080690 400101799 /nfs/dbraw/zinc/10/17/99/400101799.db2.gz NQQLUNGPBOLRRZ-IAQYHMDHSA-N 1 0 305.378 3.090 20 5 DGBDRO CC(C)CC1([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000595094344 400104073 /nfs/dbraw/zinc/10/40/73/400104073.db2.gz ADSOYJALLOYVQS-ZDUSSCGKSA-N 1 0 319.405 3.480 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](OC)C1CCCC1 ZINC000595093344 400104108 /nfs/dbraw/zinc/10/41/08/400104108.db2.gz AAPMRJQKHIURLI-YVEFUNNKSA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1=CCCC1 ZINC000595096355 400104917 /nfs/dbraw/zinc/10/49/17/400104917.db2.gz JWWBDRXWLVGGRT-LBPRGKRZSA-N 1 0 303.362 3.012 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O ZINC000595025030 400080499 /nfs/dbraw/zinc/08/04/99/400080499.db2.gz DPTFPOIXUNKICW-NWDGAFQWSA-N 1 0 310.394 3.051 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[NH2+]1 ZINC000092456848 400173438 /nfs/dbraw/zinc/17/34/38/400173438.db2.gz PMVLYEDLYLUQJV-GFCCVEGCSA-N 1 0 317.414 3.117 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000595510038 400173470 /nfs/dbraw/zinc/17/34/70/400173470.db2.gz JHLPXTGSQZTRCZ-ZMSDIMECSA-N 1 0 322.380 3.249 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000595511713 400173720 /nfs/dbraw/zinc/17/37/20/400173720.db2.gz KMLMWZOCEIUNSX-NWANDNLSSA-N 1 0 308.353 3.027 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](C1CC1)C1(CO)CCC1 ZINC000595532750 400179094 /nfs/dbraw/zinc/17/90/94/400179094.db2.gz AIYUGNRRGFZPIW-UHFFFAOYSA-N 1 0 310.781 3.128 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3ccccc3)CCOCC2)c1 ZINC000609625526 400182697 /nfs/dbraw/zinc/18/26/97/400182697.db2.gz RQHOOZVIUCIWIP-UHFFFAOYSA-N 1 0 312.369 3.390 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CO)CC3)s2)cc1 ZINC000304501700 400122870 /nfs/dbraw/zinc/12/28/70/400122870.db2.gz GEPANMDGOSQMBF-UHFFFAOYSA-N 1 0 318.398 3.185 20 5 DGBDRO CC(C)[NH+]1CCC(N(C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595301759 400123613 /nfs/dbraw/zinc/12/36/13/400123613.db2.gz OMSSZMHCMFHXCK-UHFFFAOYSA-N 1 0 309.385 3.039 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@H]2Cc2ccccc2C)c1[N+](=O)[O-] ZINC000595316339 400125178 /nfs/dbraw/zinc/12/51/78/400125178.db2.gz AXLBTBZNWVMCTN-HNNXBMFYSA-N 1 0 315.373 3.407 20 5 DGBDRO Cc1noc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595321446 400126339 /nfs/dbraw/zinc/12/63/39/400126339.db2.gz LWTPQNWOFDVJQQ-CYBMUJFWSA-N 1 0 319.336 3.095 20 5 DGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000011351387 400142482 /nfs/dbraw/zinc/14/24/82/400142482.db2.gz ZXUNSEMZPFXMGA-UHFFFAOYSA-N 1 0 314.341 3.346 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000315867791 400147779 /nfs/dbraw/zinc/14/77/79/400147779.db2.gz BCOOOYYQOQTWMN-JKSUJKDBSA-N 1 0 323.824 3.355 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000092621874 400187058 /nfs/dbraw/zinc/18/70/58/400187058.db2.gz AFZSGEBPQBOBJY-ZDUSSCGKSA-N 1 0 307.394 3.137 20 5 DGBDRO [NH3+][C@H]1CCCCc2cc(-c3cc([N+](=O)[O-])ccc3CO)ccc21 ZINC000600781458 400152237 /nfs/dbraw/zinc/15/22/37/400152237.db2.gz BZHFOXNDPXRHTK-SFHVURJKSA-N 1 0 312.369 3.480 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCC2)CC1 ZINC000586783209 400154910 /nfs/dbraw/zinc/15/49/10/400154910.db2.gz FRGCSAMUIAEZNO-ZDUSSCGKSA-N 1 0 317.389 3.188 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000595473241 400161441 /nfs/dbraw/zinc/16/14/41/400161441.db2.gz VKKJMEMXJJZXBF-HNNXBMFYSA-N 1 0 308.353 3.173 20 5 DGBDRO CC[C@H](CC(F)F)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595479146 400164187 /nfs/dbraw/zinc/16/41/87/400164187.db2.gz CSQRHDPAZCTTBD-LLVKDONJSA-N 1 0 316.352 3.110 20 5 DGBDRO O=[N+]([O-])c1ncccc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000609384042 400164510 /nfs/dbraw/zinc/16/45/10/400164510.db2.gz FPTXRSQIGBCQOW-UHFFFAOYSA-N 1 0 312.373 3.372 20 5 DGBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494375 400167741 /nfs/dbraw/zinc/16/77/41/400167741.db2.gz XVRLMQBWSRPPDK-WFASDCNBSA-N 1 0 310.369 3.249 20 5 DGBDRO CC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)C ZINC000609450493 400167793 /nfs/dbraw/zinc/16/77/93/400167793.db2.gz HWXKTDYSJCGMDU-LSDHHAIUSA-N 1 0 319.405 3.114 20 5 DGBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494373 400168052 /nfs/dbraw/zinc/16/80/52/400168052.db2.gz XVRLMQBWSRPPDK-SWLSCSKDSA-N 1 0 310.369 3.249 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000595505469 400170122 /nfs/dbraw/zinc/17/01/22/400170122.db2.gz RTMDOBAMZUSEEA-HNNXBMFYSA-N 1 0 310.369 3.011 20 5 DGBDRO C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000610420552 400255955 /nfs/dbraw/zinc/25/59/55/400255955.db2.gz QZMNURMLIRRBJB-GRDNDAEWSA-N 1 0 314.385 3.410 20 5 DGBDRO C[C@@H](NCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420408 400256061 /nfs/dbraw/zinc/25/60/61/400256061.db2.gz QZONDXQQMWDUIU-RBSFLKMASA-N 1 0 305.422 3.223 20 5 DGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000610281710 400234176 /nfs/dbraw/zinc/23/41/76/400234176.db2.gz AIJBQESSWFIHCE-INIZCTEOSA-N 1 0 311.385 3.306 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601124261 400240080 /nfs/dbraw/zinc/24/00/80/400240080.db2.gz CQPKEUBYQWPUFU-AWEZNQCLSA-N 1 0 314.389 3.064 20 5 DGBDRO COc1ccc(C[C@](C)([NH3+])CNc2ccsc2[N+](=O)[O-])cc1 ZINC000601134731 400244211 /nfs/dbraw/zinc/24/42/11/400244211.db2.gz KXQPCIVSERUVSC-HNNXBMFYSA-N 1 0 321.402 3.037 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C[N@@H+]1C1CC1 ZINC000092672339 400192485 /nfs/dbraw/zinc/19/24/85/400192485.db2.gz UUWOJZJFADDQJB-RYUDHWBXSA-N 1 0 312.373 3.180 20 5 DGBDRO CCOc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672295 400192547 /nfs/dbraw/zinc/19/25/47/400192547.db2.gz MQUHHNKKEVJERL-WCQYABFASA-N 1 0 305.378 3.031 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000610390807 400253683 /nfs/dbraw/zinc/25/36/83/400253683.db2.gz BNUQEHCXALUZKW-MRXNPFEDSA-N 1 0 317.389 3.106 20 5 DGBDRO CC[C@H](C)[N@H+](CC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595593066 400197246 /nfs/dbraw/zinc/19/72/46/400197246.db2.gz MXEISXYGIFQPMS-JTQLQIEISA-N 1 0 313.785 3.307 20 5 DGBDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000595639828 400215149 /nfs/dbraw/zinc/21/51/49/400215149.db2.gz XECODZXDUGLAHG-LBPRGKRZSA-N 1 0 307.394 3.256 20 5 DGBDRO CC(=O)c1ccc(NCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000067948903 400218892 /nfs/dbraw/zinc/21/88/92/400218892.db2.gz UTRQZSSNFMDHMA-UHFFFAOYSA-N 1 0 307.394 3.328 20 5 DGBDRO CC(C)c1ccc(C(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000610485141 400263560 /nfs/dbraw/zinc/26/35/60/400263560.db2.gz ZJRXPZCZBJKWIW-UHFFFAOYSA-N 1 0 316.405 3.440 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000595821309 400271378 /nfs/dbraw/zinc/27/13/78/400271378.db2.gz YQBLHYNOVDXWCV-IYXRBSQSSA-N 1 0 310.369 3.480 20 5 DGBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206403 400277375 /nfs/dbraw/zinc/27/73/75/400277375.db2.gz VSWGIQPDMCPMLT-ABAIWWIYSA-N 1 0 311.813 3.020 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](C4CCC4)C3)nc2c1 ZINC000595837690 400277904 /nfs/dbraw/zinc/27/79/04/400277904.db2.gz RCKZPCDUJXCWGP-CYBMUJFWSA-N 1 0 314.389 3.483 20 5 DGBDRO CCCCC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595869536 400283781 /nfs/dbraw/zinc/28/37/81/400283781.db2.gz BHGLYCOGRQQWLW-HNNXBMFYSA-N 1 0 321.421 3.191 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000589280624 400285025 /nfs/dbraw/zinc/28/50/25/400285025.db2.gz VHRDVCIJJRITBS-GOSISDBHSA-N 1 0 323.396 3.232 20 5 DGBDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000601289901 400285474 /nfs/dbraw/zinc/28/54/74/400285474.db2.gz VXJYQYHTTQTOJB-OCCSQVGLSA-N 1 0 310.394 3.195 20 5 DGBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CC1(C)C ZINC000595910819 400292442 /nfs/dbraw/zinc/29/24/42/400292442.db2.gz BZSHUXCORDUGAA-LBPRGKRZSA-N 1 0 316.361 3.123 20 5 DGBDRO CCC[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000030270604 400323561 /nfs/dbraw/zinc/32/35/61/400323561.db2.gz GMIGAPQKDMMAJJ-LBPRGKRZSA-N 1 0 323.393 3.052 20 5 DGBDRO CC(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000068916464 400299730 /nfs/dbraw/zinc/29/97/30/400299730.db2.gz QTSQDALMVGYTRG-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC000029166256 400300006 /nfs/dbraw/zinc/30/00/06/400300006.db2.gz RKQVDMNJYWOEBB-UHFFFAOYSA-N 1 0 305.378 3.188 20 5 DGBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000610782665 400305051 /nfs/dbraw/zinc/30/50/51/400305051.db2.gz GTAFKFOJKKIAEA-UHFFFAOYSA-N 1 0 302.378 3.012 20 5 DGBDRO COc1cc(NCC(C)(C)[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596055233 400305430 /nfs/dbraw/zinc/30/54/30/400305430.db2.gz QFZLIGMUGSASRL-UHFFFAOYSA-N 1 0 301.774 3.009 20 5 DGBDRO O=[N+]([O-])c1cccc(CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000069032991 400305964 /nfs/dbraw/zinc/30/59/64/400305964.db2.gz ZXDWMHVXKUABLZ-KRWDZBQOSA-N 1 0 303.406 3.045 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000589609009 400309743 /nfs/dbraw/zinc/30/97/43/400309743.db2.gz IRRFHMIJYFEXRJ-GFCCVEGCSA-N 1 0 317.393 3.070 20 5 DGBDRO CCn1nccc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000596096023 400316129 /nfs/dbraw/zinc/31/61/29/400316129.db2.gz UEGSZOJVUCOMSI-INIZCTEOSA-N 1 0 314.389 3.323 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595784531 400258175 /nfs/dbraw/zinc/25/81/75/400258175.db2.gz AZUAFKRUOUCTOT-DOTOQJQBSA-N 1 0 304.390 3.376 20 5 DGBDRO CCC[C@H]([NH2+]CC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000611335648 400378990 /nfs/dbraw/zinc/37/89/90/400378990.db2.gz GEWZXBCVHGWWCO-INIZCTEOSA-N 1 0 319.405 3.084 20 5 DGBDRO CC[C@H](C)[C@H](C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000106439911 400326418 /nfs/dbraw/zinc/32/64/18/400326418.db2.gz GSGBAHGKMXKLIP-STQMWFEESA-N 1 0 319.405 3.432 20 5 DGBDRO O=[N+]([O-])c1sccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000610946713 400327200 /nfs/dbraw/zinc/32/72/00/400327200.db2.gz SRRZORVQWDNRSP-WCQYABFASA-N 1 0 307.419 3.109 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000601966221 400390597 /nfs/dbraw/zinc/39/05/97/400390597.db2.gz YLFLRAIKIAQQKW-HNNXBMFYSA-N 1 0 306.406 3.465 20 5 DGBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596144398 400329252 /nfs/dbraw/zinc/32/92/52/400329252.db2.gz CZONISUQZFWOHC-NXEZZACHSA-N 1 0 313.785 3.151 20 5 DGBDRO CC[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084422 400344381 /nfs/dbraw/zinc/34/43/81/400344381.db2.gz VTMPOOZRJORSKQ-JTQLQIEISA-N 1 0 317.311 3.144 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000590053331 400350512 /nfs/dbraw/zinc/35/05/12/400350512.db2.gz RCKBHDAWYZUCGR-AUNFYEFLSA-N 1 0 316.401 3.357 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3ccsc3C2)cc1 ZINC000611180985 400355069 /nfs/dbraw/zinc/35/50/69/400355069.db2.gz PCLLPDUJUKCBQM-UHFFFAOYSA-N 1 0 318.398 3.484 20 5 DGBDRO COc1cc(NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])cc1C ZINC000596257546 400363832 /nfs/dbraw/zinc/36/38/32/400363832.db2.gz ATYUGQFLMSILHE-UHFFFAOYSA-N 1 0 319.405 3.341 20 5 DGBDRO CC(C)C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000611259270 400367849 /nfs/dbraw/zinc/36/78/49/400367849.db2.gz HKQGNTWFMZOPBA-UHFFFAOYSA-N 1 0 308.378 3.232 20 5 DGBDRO CC(C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271424 400371062 /nfs/dbraw/zinc/37/10/62/400371062.db2.gz BAXNIUYKKHOIMY-ZDUSSCGKSA-N 1 0 320.389 3.234 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC2(C1)CCOCC2 ZINC000611276124 400372431 /nfs/dbraw/zinc/37/24/31/400372431.db2.gz UXQBLKCRRGVHDB-HYXAFXHYSA-N 1 0 302.374 3.111 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000596306588 400375798 /nfs/dbraw/zinc/37/57/98/400375798.db2.gz GVZVMGKSGGSXML-CQSZACIVSA-N 1 0 307.394 3.026 20 5 DGBDRO CC(=O)c1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596309549 400376772 /nfs/dbraw/zinc/37/67/72/400376772.db2.gz UWXUUVKVKWLZMS-ZDUSSCGKSA-N 1 0 305.378 3.082 20 5 DGBDRO COc1cc(NC[C@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000590568731 400397140 /nfs/dbraw/zinc/39/71/40/400397140.db2.gz KOMUNLUSDCTYAV-CQSZACIVSA-N 1 0 319.361 3.220 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cocn1 ZINC000611474064 400408031 /nfs/dbraw/zinc/40/80/31/400408031.db2.gz GCCHTFQMXINDJK-LLVKDONJSA-N 1 0 307.375 3.243 20 5 DGBDRO CCCCNC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000116273841 400408316 /nfs/dbraw/zinc/40/83/16/400408316.db2.gz WPEZIRQYBLGYLQ-UHFFFAOYSA-N 1 0 321.421 3.112 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cs1 ZINC000590659564 400412272 /nfs/dbraw/zinc/41/22/72/400412272.db2.gz YALNJAWIUBPUSE-KGLIPLIRSA-N 1 0 322.430 3.437 20 5 DGBDRO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000611560199 400421269 /nfs/dbraw/zinc/42/12/69/400421269.db2.gz HFUYNSLTWNJUFZ-LRDDRELGSA-N 1 0 314.389 3.053 20 5 DGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000590764796 400430123 /nfs/dbraw/zinc/43/01/23/400430123.db2.gz BTBKEWDNYWLPPA-TZMCWYRMSA-N 1 0 319.361 3.173 20 5 DGBDRO CCC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000611579936 400427136 /nfs/dbraw/zinc/42/71/36/400427136.db2.gz ZWVXXQNZJOAHJG-OAHLLOKOSA-N 1 0 302.378 3.231 20 5 DGBDRO C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611583529 400427182 /nfs/dbraw/zinc/42/71/82/400427182.db2.gz MZZKANLJLYRKRQ-CHWSQXEVSA-N 1 0 304.394 3.055 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)s1 ZINC000596557577 400444331 /nfs/dbraw/zinc/44/43/31/400444331.db2.gz JQZQNCYEDOOBEQ-CYBMUJFWSA-N 1 0 303.387 3.343 20 5 DGBDRO Cc1cc(NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])s1 ZINC000596562726 400444765 /nfs/dbraw/zinc/44/47/65/400444765.db2.gz PCNAZSOOIZNVQN-UHFFFAOYSA-N 1 0 309.435 3.499 20 5 DGBDRO COc1cc(NCC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596561439 400444959 /nfs/dbraw/zinc/44/49/59/400444959.db2.gz BQCJWXXGMWBOQR-UHFFFAOYSA-N 1 0 319.405 3.137 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC2CC[NH+](CC3CC3)CC2)n1 ZINC000596562694 400445224 /nfs/dbraw/zinc/44/52/24/400445224.db2.gz OEDAMVHENONVII-UHFFFAOYSA-N 1 0 318.421 3.141 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1NCC1CC[NH+](CC2CC2)CC1 ZINC000596562323 400445250 /nfs/dbraw/zinc/44/52/50/400445250.db2.gz LJCTXOWVTWIVBQ-UHFFFAOYSA-N 1 0 307.369 3.268 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000119947757 400441327 /nfs/dbraw/zinc/44/13/27/400441327.db2.gz LYUGYGWTNOVANG-ZDUSSCGKSA-N 1 0 316.357 3.333 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602568915 400499231 /nfs/dbraw/zinc/49/92/31/400499231.db2.gz PGTPRUVQOFAANG-CJNGLKHVSA-N 1 0 318.421 3.127 20 5 DGBDRO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000074237413 400499406 /nfs/dbraw/zinc/49/94/06/400499406.db2.gz SGOUNKKSTZJRJF-UHFFFAOYSA-N 1 0 311.769 3.060 20 5 DGBDRO COCCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000602570636 400499713 /nfs/dbraw/zinc/49/97/13/400499713.db2.gz URAKCDHGLFDTOK-UHFFFAOYSA-N 1 0 306.406 3.324 20 5 DGBDRO CCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602573149 400500294 /nfs/dbraw/zinc/50/02/94/400500294.db2.gz PBBYJQYVIGHBMH-UHFFFAOYSA-N 1 0 318.421 3.129 20 5 DGBDRO CCc1noc(CC)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602574098 400500513 /nfs/dbraw/zinc/50/05/13/400500513.db2.gz RHJSTSYNXIDFJY-UHFFFAOYSA-N 1 0 303.362 3.040 20 5 DGBDRO CC1(C)CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602577171 400502610 /nfs/dbraw/zinc/50/26/10/400502610.db2.gz UIXNJXDGJUNVOD-CQSZACIVSA-N 1 0 318.421 3.127 20 5 DGBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CS1 ZINC000602598134 400508319 /nfs/dbraw/zinc/50/83/19/400508319.db2.gz BVNNEYNEYJIPHY-JOYOIKCWSA-N 1 0 300.811 3.274 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000611905559 400462464 /nfs/dbraw/zinc/46/24/64/400462464.db2.gz BECSZMQXUGIZRR-INIZCTEOSA-N 1 0 316.405 3.477 20 5 DGBDRO COC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000602609888 400511143 /nfs/dbraw/zinc/51/11/43/400511143.db2.gz YHFYLKXPUQLITL-UHFFFAOYSA-N 1 0 318.295 3.272 20 5 DGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(=O)[nH]c1 ZINC000602441693 400463770 /nfs/dbraw/zinc/46/37/70/400463770.db2.gz XQLAYIPEYCCVMN-UHFFFAOYSA-N 1 0 301.346 3.106 20 5 DGBDRO COCCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602450274 400467196 /nfs/dbraw/zinc/46/71/96/400467196.db2.gz KFWYEDSTYJSZFA-UHFFFAOYSA-N 1 0 306.284 3.082 20 5 DGBDRO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602503523 400481819 /nfs/dbraw/zinc/48/18/19/400481819.db2.gz PQXRQRPAPZDNJY-LURJTMIESA-N 1 0 305.197 3.307 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2cccc(F)c2F)cc1 ZINC000602546436 400493342 /nfs/dbraw/zinc/49/33/42/400493342.db2.gz SJGWUIYMVQFYFM-UHFFFAOYSA-N 1 0 306.312 3.248 20 5 DGBDRO CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCC1 ZINC000602548755 400494001 /nfs/dbraw/zinc/49/40/01/400494001.db2.gz PRJLJIKIFBJGNL-UHFFFAOYSA-N 1 0 318.421 3.129 20 5 DGBDRO CCSCC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602557544 400496175 /nfs/dbraw/zinc/49/61/75/400496175.db2.gz LADQSNSCBPNHNJ-SNVBAGLBSA-N 1 0 309.391 3.357 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000602790560 400574537 /nfs/dbraw/zinc/57/45/37/400574537.db2.gz IEWFFJJSYIUFMV-INIZCTEOSA-N 1 0 316.405 3.477 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000602791264 400574854 /nfs/dbraw/zinc/57/48/54/400574854.db2.gz CLUXCINSNBWBLH-QGZVFWFLSA-N 1 0 314.389 3.231 20 5 DGBDRO Cc1ncc([C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000602651041 400524562 /nfs/dbraw/zinc/52/45/62/400524562.db2.gz OOMPIUVZNLFJTJ-ZDUSSCGKSA-N 1 0 314.389 3.237 20 5 DGBDRO Cc1cc(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591441724 400526487 /nfs/dbraw/zinc/52/64/87/400526487.db2.gz FUDLKAXCFQGOQI-LSDHHAIUSA-N 1 0 303.406 3.119 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000074742580 400531215 /nfs/dbraw/zinc/53/12/15/400531215.db2.gz SMHIUQZKTSPPPT-UHFFFAOYSA-N 1 0 314.389 3.362 20 5 DGBDRO Cc1nocc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000602675304 400535086 /nfs/dbraw/zinc/53/50/86/400535086.db2.gz LXVZVTBZULMCOK-CJNGLKHVSA-N 1 0 315.373 3.392 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCCC3(F)F)nc2c1 ZINC000602685143 400538019 /nfs/dbraw/zinc/53/80/19/400538019.db2.gz LYHQJBRWWFTNOH-SECBINFHSA-N 1 0 311.288 3.261 20 5 DGBDRO CCCCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000046018137 400544732 /nfs/dbraw/zinc/54/47/32/400544732.db2.gz LNBXZIKERPZJBH-UHFFFAOYSA-N 1 0 307.394 3.094 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccccc1Cl ZINC000602805038 400579898 /nfs/dbraw/zinc/57/98/98/400579898.db2.gz KSAPKSQASKMKCU-JTQLQIEISA-N 1 0 308.769 3.104 20 5 DGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075022049 400552784 /nfs/dbraw/zinc/55/27/84/400552784.db2.gz AWUYORILFIZXPX-WCQYABFASA-N 1 0 316.361 3.265 20 5 DGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000075021531 400553656 /nfs/dbraw/zinc/55/36/56/400553656.db2.gz PBQUWSFPUFVTFX-FZMZJTMJSA-N 1 0 306.362 3.082 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000602766220 400567901 /nfs/dbraw/zinc/56/79/01/400567901.db2.gz DMOKDTYAHRRBST-HNNXBMFYSA-N 1 0 318.352 3.076 20 5 DGBDRO C[C@H]1CC2(C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-])CCOCC2 ZINC000592181943 400619314 /nfs/dbraw/zinc/61/93/14/400619314.db2.gz JUKVWJKCIJBWGN-LBPRGKRZSA-N 1 0 308.353 3.125 20 5 DGBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592380710 400642959 /nfs/dbraw/zinc/64/29/59/400642959.db2.gz PWLKIALUMATEOO-KWQFWETISA-N 1 0 318.345 3.180 20 5 DGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571403 400627026 /nfs/dbraw/zinc/62/70/26/400627026.db2.gz LIPVOAOJHSSMPE-IGCXYCKISA-N 1 0 304.390 3.377 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000602831645 400586589 /nfs/dbraw/zinc/58/65/89/400586589.db2.gz KHZQUWRECCYBAG-LBPRGKRZSA-N 1 0 314.389 3.328 20 5 DGBDRO CSc1ccccc1[C@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602831182 400586805 /nfs/dbraw/zinc/58/68/05/400586805.db2.gz ZZWPENMIMUMDFW-NSHDSACASA-N 1 0 320.418 3.172 20 5 DGBDRO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000597222956 400591403 /nfs/dbraw/zinc/59/14/03/400591403.db2.gz QLRFATCEXRLPMV-ZWKOTPCHSA-N 1 0 314.385 3.443 20 5 DGBDRO Cc1ccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC000597248050 400599500 /nfs/dbraw/zinc/59/95/00/400599500.db2.gz KPMFVFOEPXCAIJ-HDICACEKSA-N 1 0 316.401 3.296 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c2ccncc21 ZINC000047272598 400608782 /nfs/dbraw/zinc/60/87/82/400608782.db2.gz LWJOJYPMVIWPMA-DOTOQJQBSA-N 1 0 312.373 3.182 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592397507 400645372 /nfs/dbraw/zinc/64/53/72/400645372.db2.gz MNFLKVAGHNHYJY-RRQGHBQHSA-N 1 0 320.433 3.303 20 5 DGBDRO CC[NH+](CC)Cc1cccc(CNc2ccc([N+](=O)[O-])cn2)c1 ZINC000076840652 400676008 /nfs/dbraw/zinc/67/60/08/400676008.db2.gz VNJFCJXIKWHTIV-UHFFFAOYSA-N 1 0 314.389 3.444 20 5 DGBDRO O=C(C[NH2+]C1(C2CCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593078765 400754987 /nfs/dbraw/zinc/75/49/87/400754987.db2.gz AKINTKNEAGUEAQ-UHFFFAOYSA-N 1 0 323.780 3.109 20 5 DGBDRO C[C@H](CCCCO)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000618798370 400690966 /nfs/dbraw/zinc/69/09/66/400690966.db2.gz XGTTZHMIDCFOMN-SNVBAGLBSA-N 1 0 320.311 3.254 20 5 DGBDRO Cc1cnc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000078625492 400814856 /nfs/dbraw/zinc/81/48/56/400814856.db2.gz IVWMABQLJBNPMJ-AWEZNQCLSA-N 1 0 316.361 3.140 20 5 DGBDRO Cc1cnc(NC[C@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000078625500 400814899 /nfs/dbraw/zinc/81/48/99/400814899.db2.gz IVWMABQLJBNPMJ-CQSZACIVSA-N 1 0 316.361 3.140 20 5 DGBDRO CN(CC[NH+]1CCCCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593111526 400765199 /nfs/dbraw/zinc/76/51/99/400765199.db2.gz FWOYTOXZHMHRHK-UHFFFAOYSA-N 1 0 311.813 3.166 20 5 DGBDRO Cc1ccccc1OCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000053421590 400783203 /nfs/dbraw/zinc/78/32/03/400783203.db2.gz KEYPWTJKDUMNDW-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO CN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000593518385 400869884 /nfs/dbraw/zinc/86/98/84/400869884.db2.gz YRBAREVQBHXYPP-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593620927 400882578 /nfs/dbraw/zinc/88/25/78/400882578.db2.gz LKGZCOZTMSFMHP-NSHDSACASA-N 1 0 320.393 3.012 20 5 DGBDRO CC(=O)c1ccc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000054981060 400846126 /nfs/dbraw/zinc/84/61/26/400846126.db2.gz YANNCHFDJNNUJU-QWHCGFSZSA-N 1 0 319.405 3.330 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174139190 400853445 /nfs/dbraw/zinc/85/34/45/400853445.db2.gz VBMYILPAGCAYLA-QWHCGFSZSA-N 1 0 319.405 3.480 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000598680040 400856596 /nfs/dbraw/zinc/85/65/96/400856596.db2.gz RIDACHYMBMHLQU-UWVGGRQHSA-N 1 0 300.305 3.299 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000614222943 400856687 /nfs/dbraw/zinc/85/66/87/400856687.db2.gz TTXCXPDXOBMLGL-UHFFFAOYSA-N 1 0 304.390 3.030 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2CC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000593661312 400888917 /nfs/dbraw/zinc/88/89/17/400888917.db2.gz XRMVZDRBRNLSKO-CMPLNLGQSA-N 1 0 308.378 3.223 20 5 DGBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCCO1 ZINC000599047415 400937882 /nfs/dbraw/zinc/93/78/82/400937882.db2.gz WATWYWDTBKBQMS-SJKOYZFVSA-N 1 0 317.389 3.166 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599086473 400954747 /nfs/dbraw/zinc/95/47/47/400954747.db2.gz OCSZEDZUTHXLGU-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000594015220 400948580 /nfs/dbraw/zinc/94/85/80/400948580.db2.gz XXKTUVBWBBQUKE-MRXNPFEDSA-N 1 0 322.405 3.119 20 5 DGBDRO COc1ccc(C[NH2+]C(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000614822424 400951234 /nfs/dbraw/zinc/95/12/34/400951234.db2.gz KWCHHDCZCUSCFE-UHFFFAOYSA-N 1 0 306.284 3.424 20 5 DGBDRO COCC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000619724360 400894524 /nfs/dbraw/zinc/89/45/24/400894524.db2.gz DFYKPRBNLORZKQ-MRXNPFEDSA-N 1 0 304.390 3.379 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)COCC2CC2)cc1[N+](=O)[O-] ZINC000593718139 400899319 /nfs/dbraw/zinc/89/93/19/400899319.db2.gz LOIVDGWWVIEQCH-CHWSQXEVSA-N 1 0 322.405 3.459 20 5 DGBDRO CO[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[C@H]1C ZINC000599074239 400952673 /nfs/dbraw/zinc/95/26/73/400952673.db2.gz VFSBHDPHIIDZBZ-ABAIWWIYSA-N 1 0 301.346 3.004 20 5 DGBDRO COc1cccc([C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)OC)c1 ZINC000598988981 400921816 /nfs/dbraw/zinc/92/18/16/400921816.db2.gz XFLXOKDHSZDNRH-KRWDZBQOSA-N 1 0 316.357 3.081 20 5 DGBDRO O=[N+]([O-])c1cc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)cs1 ZINC000598992418 400922548 /nfs/dbraw/zinc/92/25/48/400922548.db2.gz NHTZTRIWBHUPGN-AWEZNQCLSA-N 1 0 309.435 3.153 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3COC3)o2)c(Cl)c1 ZINC000599010806 400926962 /nfs/dbraw/zinc/92/69/62/400926962.db2.gz FFEKJNSWOYXSCK-UHFFFAOYSA-N 1 0 322.748 3.244 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000599032630 400932989 /nfs/dbraw/zinc/93/29/89/400932989.db2.gz UTYPWFGKCFEDKY-YOEHRIQHSA-N 1 0 306.406 3.465 20 5 DGBDRO COC(=O)CC1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000599037981 400934213 /nfs/dbraw/zinc/93/42/13/400934213.db2.gz LSKUYNJWYSOOOG-IYXRBSQSSA-N 1 0 320.389 3.367 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080960136 401007195 /nfs/dbraw/zinc/00/71/95/401007195.db2.gz WGEUPPIMYDPWJW-OCCSQVGLSA-N 1 0 300.362 3.259 20 5 DGBDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594041456 400960557 /nfs/dbraw/zinc/96/05/57/400960557.db2.gz NLWBCYZEKIMRCJ-OAHLLOKOSA-N 1 0 308.378 3.051 20 5 DGBDRO C[NH+](C)[C@H](CNc1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000080676573 400977841 /nfs/dbraw/zinc/97/78/41/400977841.db2.gz NFEFQAOWAQXSPU-CQSZACIVSA-N 1 0 320.780 3.358 20 5 DGBDRO CCC(CC)[C@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000058604554 401061391 /nfs/dbraw/zinc/06/13/91/401061391.db2.gz XYRGXVXCJLPREF-HNNXBMFYSA-N 1 0 306.410 3.302 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)nc2c1 ZINC000599553395 401075612 /nfs/dbraw/zinc/07/56/12/401075612.db2.gz SHWBEEDMPGTTLG-NEPJUHHUSA-N 1 0 319.386 3.206 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000057943341 401036938 /nfs/dbraw/zinc/03/69/38/401036938.db2.gz VVAWDWHYJRTFEQ-NFFDBFGFSA-N 1 0 319.405 3.336 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1c[nH]c2ncccc12 ZINC000594501065 401082774 /nfs/dbraw/zinc/08/27/74/401082774.db2.gz HMZXYXMAGBVWCA-MRXNPFEDSA-N 1 0 322.368 3.291 20 5 DGBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246911967 401040220 /nfs/dbraw/zinc/04/02/20/401040220.db2.gz VXTWQDKZJJFTKD-GJZGRUSLSA-N 1 0 321.421 3.144 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCN1Cc2ccccc2C1 ZINC000594503292 401083269 /nfs/dbraw/zinc/08/32/69/401083269.db2.gz IUULXPQHLQQBMN-SFHVURJKSA-N 1 0 323.396 3.188 20 5 DGBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2ccccc2c1 ZINC000599672910 401108467 /nfs/dbraw/zinc/10/84/67/401108467.db2.gz JGLXOBDNXKFHCM-UHFFFAOYSA-N 1 0 324.384 3.469 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594598800 401124085 /nfs/dbraw/zinc/12/40/85/401124085.db2.gz HYGUITHLQQKKFY-STQMWFEESA-N 1 0 310.785 3.072 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594510557 401088436 /nfs/dbraw/zinc/08/84/36/401088436.db2.gz MUWDDAVQABIALL-FZMZJTMJSA-N 1 0 320.389 3.150 20 5 DGBDRO CC1(C)CCC[C@@](CO)([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000599594480 401088450 /nfs/dbraw/zinc/08/84/50/401088450.db2.gz LRLFZBZWRJHNEJ-MRXNPFEDSA-N 1 0 310.369 3.155 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000594511936 401089145 /nfs/dbraw/zinc/08/91/45/401089145.db2.gz HIYVJYPJOYHSHH-NWDGAFQWSA-N 1 0 308.378 3.223 20 5 DGBDRO C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000594514348 401091091 /nfs/dbraw/zinc/09/10/91/401091091.db2.gz OAWAMCWHJBSHLI-VXGBXAGGSA-N 1 0 308.378 3.223 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594518578 401096261 /nfs/dbraw/zinc/09/62/61/401096261.db2.gz IEWLWTTXXBDXMP-CVEARBPZSA-N 1 0 323.824 3.355 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000594520947 401099573 /nfs/dbraw/zinc/09/95/73/401099573.db2.gz RUICPJFBACJFEY-JZXOWHBKSA-N 1 0 315.417 3.189 20 5 DGBDRO C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000594729903 401160744 /nfs/dbraw/zinc/16/07/44/401160744.db2.gz PFQHQORWHDYQMY-NSHDSACASA-N 1 0 300.362 3.057 20 5 DGBDRO CC[C@H](c1ccccc1)[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000358266305 286015782 /nfs/dbraw/zinc/01/57/82/286015782.db2.gz OURBLOYERARSSK-OAHLLOKOSA-N 1 0 302.378 3.265 20 5 DGBDRO CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1F ZINC000358274439 286017924 /nfs/dbraw/zinc/01/79/24/286017924.db2.gz MTTSELRUJZZAAV-UHFFFAOYSA-N 1 0 320.368 3.089 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)cs1 ZINC000594999130 401224460 /nfs/dbraw/zinc/22/44/60/401224460.db2.gz NJWGOACOLPYZGU-HNNXBMFYSA-N 1 0 317.414 3.020 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000063499566 401197608 /nfs/dbraw/zinc/19/76/08/401197608.db2.gz GDJFQXZSBYMPQQ-GFCCVEGCSA-N 1 0 307.394 3.352 20 5 DGBDRO CCCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000063615714 401203413 /nfs/dbraw/zinc/20/34/13/401203413.db2.gz OETLXIIGFUCKGY-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000594974340 401215922 /nfs/dbraw/zinc/21/59/22/401215922.db2.gz YDDVHGHQMQMXMV-AWEZNQCLSA-N 1 0 318.373 3.351 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C ZINC000595009365 401229327 /nfs/dbraw/zinc/22/93/27/401229327.db2.gz RKJDZMUTMPNRLK-DGCLKSJQSA-N 1 0 310.394 3.051 20 5 DGBDRO CCC(CC)(CCO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010743 401229853 /nfs/dbraw/zinc/22/98/53/401229853.db2.gz DXUUGEYVGORAEB-CYBMUJFWSA-N 1 0 324.421 3.443 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccccc1 ZINC000595009554 401230185 /nfs/dbraw/zinc/23/01/85/401230185.db2.gz YEPPIVVKLABZIJ-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000595013983 401232414 /nfs/dbraw/zinc/23/24/14/401232414.db2.gz TVZVHTHWHCRSPY-WBMJQRKESA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000595018244 401234587 /nfs/dbraw/zinc/23/45/87/401234587.db2.gz MDCGHJSBLWDCEF-DANNLKNASA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)CC(C)(C)C ZINC000595020875 401234970 /nfs/dbraw/zinc/23/49/70/401234970.db2.gz AXBZUPLXCCNEMP-NEPJUHHUSA-N 1 0 310.394 3.051 20 5 DGBDRO Cc1ccsc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208864 401260966 /nfs/dbraw/zinc/26/09/66/401260966.db2.gz JZBBXJPRFQGZCH-UHFFFAOYSA-N 1 0 306.387 3.476 20 5 DGBDRO Cc1ccccc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208598 401261273 /nfs/dbraw/zinc/26/12/73/401261273.db2.gz AECIBXPHMKRUME-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO Cc1cccc(NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000358371790 286043943 /nfs/dbraw/zinc/04/39/43/286043943.db2.gz AFJCUVAVJWMCGX-ZDUSSCGKSA-N 1 0 300.362 3.061 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000280014663 292196769 /nfs/dbraw/zinc/19/67/69/292196769.db2.gz GWWXUKXQTISNPI-DOMZBBRYSA-N 1 0 314.389 3.365 20 5 DGBDRO Cc1cc(NCCC[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359846315 286385128 /nfs/dbraw/zinc/38/51/28/286385128.db2.gz VGJXJRUQOUYJQT-UHFFFAOYSA-N 1 0 305.300 3.286 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCCC[NH+]1CCCCC1 ZINC000360904303 286551701 /nfs/dbraw/zinc/55/17/01/286551701.db2.gz QGOBZRVJKHFDCN-UHFFFAOYSA-N 1 0 323.441 3.188 20 5 DGBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC000361136187 286606301 /nfs/dbraw/zinc/60/63/01/286606301.db2.gz PGGZODPFESJKAR-LBPRGKRZSA-N 1 0 319.336 3.249 20 5 DGBDRO CCc1cnccc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000361118470 286601635 /nfs/dbraw/zinc/60/16/35/286601635.db2.gz BTJMPTSQJZREDN-CYBMUJFWSA-N 1 0 315.373 3.282 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000187959817 165106513 /nfs/dbraw/zinc/10/65/13/165106513.db2.gz JFCOXBLRWACAEB-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO CCc1ccccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365121336 287099696 /nfs/dbraw/zinc/09/96/96/287099696.db2.gz JMVGTTMCLCGHBD-UHFFFAOYSA-N 1 0 314.389 3.191 20 5 DGBDRO COC(=O)[C@@H](C)N(C/C=C/c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000191643094 165262386 /nfs/dbraw/zinc/26/23/86/165262386.db2.gz ORWJVEFKWWHNHD-STMXVASLSA-N 1 0 318.373 3.024 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000192500022 165295189 /nfs/dbraw/zinc/29/51/89/165295189.db2.gz VCNKKMFFLWZDKK-CYBMUJFWSA-N 1 0 323.441 3.044 20 5 DGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(C2([NH3+])CCC2)no1 ZINC000261880764 165759549 /nfs/dbraw/zinc/75/95/49/165759549.db2.gz WHMNFZCQSWQAQQ-SECBINFHSA-N 1 0 320.374 3.169 20 5 DGBDRO Cc1c(CN2CC[NH2+]CC23CCCCC3)cccc1[N+](=O)[O-] ZINC000262057372 165781901 /nfs/dbraw/zinc/78/19/01/165781901.db2.gz DPUMQTOOFMWJPI-UHFFFAOYSA-N 1 0 303.406 3.011 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH2+]Cc2ccccc21 ZINC000262390238 165801719 /nfs/dbraw/zinc/80/17/19/165801719.db2.gz ZSMCSSKNVPFQFZ-UHFFFAOYSA-N 1 0 317.776 3.358 20 5 DGBDRO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000171682578 432160027 /nfs/dbraw/zinc/16/00/27/432160027.db2.gz QRURGGZPVMEYCA-UHFFFAOYSA-N 1 0 311.769 3.061 20 5 DGBDRO C[C@@H](c1ccccc1F)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136958522 432166038 /nfs/dbraw/zinc/16/60/38/432166038.db2.gz LOFYOUHKLYMPOB-SJCJKPOMSA-N 1 0 318.348 3.460 20 5 DGBDRO CC(C)[NH+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000129668121 196066878 /nfs/dbraw/zinc/06/68/78/196066878.db2.gz WNKGZXIFSHHYSL-UHFFFAOYSA-N 1 0 311.357 3.181 20 5 DGBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246940427 432182400 /nfs/dbraw/zinc/18/24/00/432182400.db2.gz GVTASPMOUOPZFU-COCRGAERSA-N 1 0 324.446 3.325 20 5 DGBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626943 432188961 /nfs/dbraw/zinc/18/89/61/432188961.db2.gz DCMQSUGNNIYSBJ-GFOFROLCSA-N 1 0 304.390 3.281 20 5 DGBDRO Cc1cccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000269677126 432196821 /nfs/dbraw/zinc/19/68/21/432196821.db2.gz PPVAXBSSOWIMGU-QGZVFWFLSA-N 1 0 300.358 3.069 20 5 DGBDRO C[C@H]1c2ccsc2CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269708893 432201277 /nfs/dbraw/zinc/20/12/77/432201277.db2.gz ORVSUTDLQSPZAM-XHDPSFHLSA-N 1 0 318.398 3.309 20 5 DGBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129885339 196083570 /nfs/dbraw/zinc/08/35/70/196083570.db2.gz CMVAEYPBVZJNSU-GHMZBOCLSA-N 1 0 311.357 3.087 20 5 DGBDRO Cc1ccccc1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269731570 432202671 /nfs/dbraw/zinc/20/26/71/432202671.db2.gz YARJKYKILMSXHG-KRWDZBQOSA-N 1 0 300.358 3.069 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)CO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000247205420 432211391 /nfs/dbraw/zinc/21/13/91/432211391.db2.gz VGMYFRQPPPZERL-COXVUDFISA-N 1 0 322.405 3.220 20 5 DGBDRO CCN(CC)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000131452346 196169525 /nfs/dbraw/zinc/16/95/25/196169525.db2.gz XAFBVKXZDZIZGM-INIZCTEOSA-N 1 0 317.389 3.361 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000132067988 196224330 /nfs/dbraw/zinc/22/43/30/196224330.db2.gz JYFOBSNXMOCCCY-YOEHRIQHSA-N 1 0 314.385 3.157 20 5 DGBDRO CCCC[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000132668862 196275087 /nfs/dbraw/zinc/27/50/87/196275087.db2.gz BPANGAJDUCYEGP-UHFFFAOYSA-N 1 0 323.393 3.054 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000133261292 196325491 /nfs/dbraw/zinc/32/54/91/196325491.db2.gz UUMFGBNNCAKHHO-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H](C)OC ZINC000291085808 222125503 /nfs/dbraw/zinc/12/55/03/222125503.db2.gz OKYFZLSAQUFCEW-JTQLQIEISA-N 1 0 318.320 3.053 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000298156749 228387218 /nfs/dbraw/zinc/38/72/18/228387218.db2.gz DUEWVPGAHAWICX-GVXVVHGQSA-N 1 0 305.378 3.103 20 5 DGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000192803654 228555344 /nfs/dbraw/zinc/55/53/44/228555344.db2.gz CJVWTLOVJVNMDB-MGPQQGTHSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H](C[NH+](C)C)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000346157506 229165455 /nfs/dbraw/zinc/16/54/55/229165455.db2.gz KPNAXKFTQYTABM-CYBMUJFWSA-N 1 0 307.397 3.068 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000299595029 229243649 /nfs/dbraw/zinc/24/36/49/229243649.db2.gz LBKAMGRQOHJVKE-CYBMUJFWSA-N 1 0 314.389 3.269 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc2c1OCO2 ZINC000130859908 292642425 /nfs/dbraw/zinc/64/24/25/292642425.db2.gz BECLSXTZCPOVOP-GFCCVEGCSA-N 1 0 314.341 3.483 20 5 DGBDRO Cc1cc(NCC2(CO)CCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302104604 230096990 /nfs/dbraw/zinc/09/69/90/230096990.db2.gz WUQUCROMCLCZKV-UHFFFAOYSA-N 1 0 315.373 3.416 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413023098 230113198 /nfs/dbraw/zinc/11/31/98/230113198.db2.gz ICDLUJYMBDXDTJ-UHFFFAOYSA-N 1 0 320.315 3.008 20 5 DGBDRO Cc1cccc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302490417 230268489 /nfs/dbraw/zinc/26/84/89/230268489.db2.gz JVMNPEXGUXBHGS-GJZGRUSLSA-N 1 0 321.421 3.205 20 5 DGBDRO CCc1ccc([C@H]([NH2+][C@@H](C)CCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346595793 264061222 /nfs/dbraw/zinc/06/12/22/264061222.db2.gz FYJXXBOCUICBCL-YVEFUNNKSA-N 1 0 318.373 3.200 20 5 DGBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000346651316 264073718 /nfs/dbraw/zinc/07/37/18/264073718.db2.gz HFWHHLJNYMEXIO-ZDUSSCGKSA-N 1 0 315.373 3.039 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346984169 264133404 /nfs/dbraw/zinc/13/34/04/264133404.db2.gz OHHOGJACQLBPDK-OAHLLOKOSA-N 1 0 313.357 3.206 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000347002103 264137191 /nfs/dbraw/zinc/13/71/91/264137191.db2.gz UJVNFFUJRILJKV-QGZVFWFLSA-N 1 0 313.357 3.206 20 5 DGBDRO [NH3+]C[C@@H]1CCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347170100 264168971 /nfs/dbraw/zinc/16/89/71/264168971.db2.gz MYVRHDIHNAYTST-HNNXBMFYSA-N 1 0 315.373 3.168 20 5 DGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000347327624 264197087 /nfs/dbraw/zinc/19/70/87/264197087.db2.gz XLNHXCFMSDOGHT-DOMZBBRYSA-N 1 0 323.824 3.307 20 5 DGBDRO CCOC1CC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000347455418 264224084 /nfs/dbraw/zinc/22/40/84/264224084.db2.gz NYQWDSFTHKYGQG-UHFFFAOYSA-N 1 0 322.405 3.381 20 5 DGBDRO CCn1cc(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000348305274 264385420 /nfs/dbraw/zinc/38/54/20/264385420.db2.gz VPCICILMMGRIQL-UHFFFAOYSA-N 1 0 314.389 3.018 20 5 DGBDRO C[C@@H](CO)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000348333947 264392167 /nfs/dbraw/zinc/39/21/67/264392167.db2.gz DHSOZYMLTBRKOC-KVEVGEHQSA-N 1 0 304.390 3.091 20 5 DGBDRO C[C@@H](CO)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000348333948 264392334 /nfs/dbraw/zinc/39/23/34/264392334.db2.gz DHSOZYMLTBRKOC-UQYHUFHVSA-N 1 0 304.390 3.091 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000349249905 264502982 /nfs/dbraw/zinc/50/29/82/264502982.db2.gz WDLDLEMUFTXEIY-OPFPJEHXSA-N 1 0 322.405 3.195 20 5 DGBDRO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350127736 264585276 /nfs/dbraw/zinc/58/52/76/264585276.db2.gz SOYUUMIYZBDNIM-QGZVFWFLSA-N 1 0 316.405 3.429 20 5 DGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352366251 265017972 /nfs/dbraw/zinc/01/79/72/265017972.db2.gz CNXVUCSOBBZTIV-NHYWBVRUSA-N 1 0 312.373 3.038 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000352400843 265033617 /nfs/dbraw/zinc/03/36/17/265033617.db2.gz VDCRGGZUQLVLIA-GDBMZVCRSA-N 1 0 314.389 3.498 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)c(F)c1 ZINC000352693265 265130774 /nfs/dbraw/zinc/13/07/74/265130774.db2.gz RFSHZUMXEYEFED-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO CCOCCO[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000352771668 265159809 /nfs/dbraw/zinc/15/98/09/265159809.db2.gz ZMCLYUMNOXOCSN-GOEBONIOSA-N 1 0 322.405 3.092 20 5 DGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352816707 265179194 /nfs/dbraw/zinc/17/91/94/265179194.db2.gz QAPXXUUQDSOBJE-SWLSCSKDSA-N 1 0 323.824 3.307 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(c3ccccn3)CCC2)c(F)c1 ZINC000353084256 265292083 /nfs/dbraw/zinc/29/20/83/265292083.db2.gz IVUJBQBSDFBLEQ-UHFFFAOYSA-N 1 0 315.348 3.340 20 5 DGBDRO Cc1ccc(C[N@H+]2CCN(C)c3ccccc3C2)cc1[N+](=O)[O-] ZINC000353287829 265375695 /nfs/dbraw/zinc/37/56/95/265375695.db2.gz SKRMWECCTGKUMW-UHFFFAOYSA-N 1 0 311.385 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)C1CCCC1)CCC2 ZINC000353485635 265443252 /nfs/dbraw/zinc/44/32/52/265443252.db2.gz UPGUQJQZDSXAJS-SJORKVTESA-N 1 0 304.390 3.113 20 5 DGBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000355363003 266051251 /nfs/dbraw/zinc/05/12/51/266051251.db2.gz BJZSBZCVACRZBW-INIZCTEOSA-N 1 0 310.369 3.107 20 5 DGBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC(C)CC1 ZINC000355424775 266071197 /nfs/dbraw/zinc/07/11/97/266071197.db2.gz NWJAESOGRGCMAZ-UHFFFAOYSA-N 1 0 310.369 3.419 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOCC2(CCC2)C1 ZINC000355507762 266095993 /nfs/dbraw/zinc/09/59/93/266095993.db2.gz INZDQENAHWFJFO-UTCJRWHESA-N 1 0 302.374 3.111 20 5 DGBDRO COc1cc(CN2CC(C)(C)[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000356297299 266345831 /nfs/dbraw/zinc/34/58/31/266345831.db2.gz OJFWKDQDRYFGFH-MRXNPFEDSA-N 1 0 320.389 3.232 20 5 DGBDRO CC(C)[NH+](CCN(C)CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000356341346 266359170 /nfs/dbraw/zinc/35/91/70/266359170.db2.gz IGORRCUXCXNLHE-UHFFFAOYSA-N 1 0 307.438 3.188 20 5 DGBDRO O=[N+]([O-])c1ccccc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000356444061 266393866 /nfs/dbraw/zinc/39/38/66/266393866.db2.gz BDGZCSYLDBTAJK-UHFFFAOYSA-N 1 0 311.385 3.455 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000172859398 432240701 /nfs/dbraw/zinc/24/07/01/432240701.db2.gz XSYGAJMXPPUFCU-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191293008 432245898 /nfs/dbraw/zinc/24/58/98/432245898.db2.gz CRDQYQPQMQMFAS-FZMZJTMJSA-N 1 0 305.378 3.090 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191292992 432245446 /nfs/dbraw/zinc/24/54/46/432245446.db2.gz CRDQYQPQMQMFAS-BXUZGUMPSA-N 1 0 305.378 3.090 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000191298141 432247169 /nfs/dbraw/zinc/24/71/69/432247169.db2.gz WXWPMWDXRQBULE-OAHLLOKOSA-N 1 0 319.405 3.400 20 5 DGBDRO CC(C)c1ccc(C[NH+]2CC([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000369867753 271325515 /nfs/dbraw/zinc/32/55/15/271325515.db2.gz LTMZJZNOVBSDPY-AWEZNQCLSA-N 1 0 304.390 3.187 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413085686 273638231 /nfs/dbraw/zinc/63/82/31/273638231.db2.gz QCXRONWVDUYHMZ-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO C[NH+](C)CC1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494185634 273794663 /nfs/dbraw/zinc/79/46/63/273794663.db2.gz LTBPBMKKYIOECZ-UHFFFAOYSA-N 1 0 311.813 3.022 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000437540022 274118796 /nfs/dbraw/zinc/11/87/96/274118796.db2.gz ACODTMJATZSJJW-HOCLYGCPSA-N 1 0 322.430 3.463 20 5 DGBDRO C[C@@H](CN1CCCCC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447529742 274217274 /nfs/dbraw/zinc/21/72/74/274217274.db2.gz MLPCUTBJPWVJEG-KBXCAEBGSA-N 1 0 317.433 3.436 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423427194 274249478 /nfs/dbraw/zinc/24/94/78/274249478.db2.gz NMWUAQKYNAMBGY-ACJLOTCBSA-N 1 0 311.385 3.132 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000123087744 274316222 /nfs/dbraw/zinc/31/62/22/274316222.db2.gz JJZQVRKIWHIIIH-PHIMTYICSA-N 1 0 302.334 3.018 20 5 DGBDRO C[C@@](O)(C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417318225 274448232 /nfs/dbraw/zinc/44/82/32/274448232.db2.gz YHTRFIAFQMAHNC-DLBZAZTESA-N 1 0 304.390 3.113 20 5 DGBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192825328 274869452 /nfs/dbraw/zinc/86/94/52/274869452.db2.gz PJEUFGFQRPQLAB-GTNSWQLSSA-N 1 0 314.389 3.365 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1CCCCC1)CCC2 ZINC000192641574 275037923 /nfs/dbraw/zinc/03/79/23/275037923.db2.gz JJKWLEZDQIJVJQ-KRWDZBQOSA-N 1 0 303.406 3.048 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337413746 275039449 /nfs/dbraw/zinc/03/94/49/275039449.db2.gz OMOCQHCSYNCWHI-AAEUAGOBSA-N 1 0 318.295 3.374 20 5 DGBDRO CC1(C)CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447584192 275831912 /nfs/dbraw/zinc/83/19/12/275831912.db2.gz DTCNKRDGDVLMCD-MJBXVCDLSA-N 1 0 306.410 3.443 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCCn2ccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000279167715 275860332 /nfs/dbraw/zinc/86/03/32/275860332.db2.gz UNGDXADSMYHQQE-MRXNPFEDSA-N 1 0 314.389 3.194 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433162311 275861027 /nfs/dbraw/zinc/86/10/27/275861027.db2.gz LXCGROXKOUJKJN-CZUORRHYSA-N 1 0 304.390 3.476 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279066223 275862167 /nfs/dbraw/zinc/86/21/67/275862167.db2.gz LHSFXDOIUMQFKP-BLLLJJGKSA-N 1 0 304.390 3.476 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000530542730 430120054 /nfs/dbraw/zinc/12/00/54/430120054.db2.gz CARZPCBKSTVFGC-ZDUSSCGKSA-N 1 0 314.389 3.285 20 5 DGBDRO CC(=O)c1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000283954042 277106586 /nfs/dbraw/zinc/10/65/86/277106586.db2.gz YNHXFBKBSBWDIG-JSGCOSHPSA-N 1 0 305.378 3.082 20 5 DGBDRO COC1([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000421826951 277473712 /nfs/dbraw/zinc/47/37/12/277473712.db2.gz VPFPZLHWXZAWKS-AWEZNQCLSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482100554 278218556 /nfs/dbraw/zinc/21/85/56/278218556.db2.gz OCVKNVLJJWPIAJ-KBRIMQKVSA-N 1 0 318.417 3.463 20 5 DGBDRO C[C@@H](CCCCO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453286922 278227672 /nfs/dbraw/zinc/22/76/72/278227672.db2.gz NLGFLKWHDFLAJD-BLLLJJGKSA-N 1 0 306.406 3.458 20 5 DGBDRO C[C@@H](CCO)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417351150 278234234 /nfs/dbraw/zinc/23/42/34/278234234.db2.gz RCGDQFVDLYTCPC-DYVFJYSZSA-N 1 0 306.406 3.361 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCCC1 ZINC000290045253 278236926 /nfs/dbraw/zinc/23/69/26/278236926.db2.gz DSHQWFWYRVBUAC-XJKSGUPXSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269013619 278335403 /nfs/dbraw/zinc/33/54/03/278335403.db2.gz OAULNNWAIYGRQN-CYBMUJFWSA-N 1 0 303.406 3.262 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000278546013 278350722 /nfs/dbraw/zinc/35/07/22/278350722.db2.gz VHXJVUPOLJFVJX-DYVFJYSZSA-N 1 0 303.406 3.262 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000421890600 288057993 /nfs/dbraw/zinc/05/79/93/288057993.db2.gz YBGRIBOABYRQJM-BBRMVZONSA-N 1 0 322.405 3.220 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1OCCc2sccc21 ZINC000291759635 279491307 /nfs/dbraw/zinc/49/13/07/279491307.db2.gz RFVXGRPYPMKZDH-ZBEGNZNMSA-N 1 0 318.398 3.448 20 5 DGBDRO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000341275377 279581554 /nfs/dbraw/zinc/58/15/54/279581554.db2.gz JNVVWOMWRDKMCL-AYDFFVQHSA-N 1 0 306.406 3.055 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC(C)(C)C1 ZINC000112701934 431298623 /nfs/dbraw/zinc/29/86/23/431298623.db2.gz LDKKULBXCKNUML-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO COCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000112354152 431267595 /nfs/dbraw/zinc/26/75/95/431267595.db2.gz OGWJSGNOJATYSU-UHFFFAOYSA-N 1 0 322.405 3.240 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000116357554 431508007 /nfs/dbraw/zinc/50/80/07/431508007.db2.gz HLJNWMGIZZPZDB-HNNXBMFYSA-N 1 0 323.824 3.308 20 5 DGBDRO CCC[NH+](CCC)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117334991 431556468 /nfs/dbraw/zinc/55/64/68/431556468.db2.gz QZXROTVHYVMUIZ-UHFFFAOYSA-N 1 0 321.377 3.015 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000425377296 280363355 /nfs/dbraw/zinc/36/33/55/280363355.db2.gz ZRRAGMIKQRGATL-QGZVFWFLSA-N 1 0 316.401 3.376 20 5 DGBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000123095897 431855463 /nfs/dbraw/zinc/85/54/63/431855463.db2.gz PLVKYVZJLGATNH-QWRGUYRKSA-N 1 0 302.334 3.018 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC4(CCC4)C3)o2)cc1 ZINC000123660210 431871728 /nfs/dbraw/zinc/87/17/28/431871728.db2.gz AGGLWRLUHXLLPN-UHFFFAOYSA-N 1 0 314.345 3.021 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)cc1C(F)(F)F ZINC000048322173 431922656 /nfs/dbraw/zinc/92/26/56/431922656.db2.gz SGKOGDLQRNXISV-UHFFFAOYSA-N 1 0 303.284 3.121 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000125637320 431931850 /nfs/dbraw/zinc/93/18/50/431931850.db2.gz FDOMIAXYMNXWHT-OAHLLOKOSA-N 1 0 303.406 3.044 20 5 DGBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000049558497 431942030 /nfs/dbraw/zinc/94/20/30/431942030.db2.gz BLZIMCAJNINJIF-VIFPVBQESA-N 1 0 305.300 3.366 20 5 DGBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)O ZINC000126398526 431948917 /nfs/dbraw/zinc/94/89/17/431948917.db2.gz XQMNAUQNHFEFLE-UHFFFAOYSA-N 1 0 304.346 3.058 20 5 DGBDRO CC1(C)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000127065481 431963870 /nfs/dbraw/zinc/96/38/70/431963870.db2.gz NQELDHAWOJMVLZ-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292846622 281021853 /nfs/dbraw/zinc/02/18/53/281021853.db2.gz BNPHMHWQIHRJRJ-YJBOKZPZSA-N 1 0 317.433 3.382 20 5 DGBDRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447530929 281218468 /nfs/dbraw/zinc/21/84/68/281218468.db2.gz PRZDIFNHNRMQEY-CVEARBPZSA-N 1 0 314.389 3.373 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173348156 432273795 /nfs/dbraw/zinc/27/37/95/432273795.db2.gz HUHWILZLTOHHGR-KFWWJZLASA-N 1 0 305.422 3.366 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183373008 432286318 /nfs/dbraw/zinc/28/63/18/432286318.db2.gz WWLSETJLKQXKNK-MRXNPFEDSA-N 1 0 316.332 3.387 20 5 DGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000152068774 432301237 /nfs/dbraw/zinc/30/12/37/432301237.db2.gz COFMTROVUYYMOG-LBPRGKRZSA-N 1 0 314.341 3.483 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000152068508 432301247 /nfs/dbraw/zinc/30/12/47/432301247.db2.gz BGUFLYDYDPTIBW-LBPRGKRZSA-N 1 0 314.341 3.483 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000183712870 432319070 /nfs/dbraw/zinc/31/90/70/432319070.db2.gz DYXZBQIIWUDOLP-INIZCTEOSA-N 1 0 322.405 3.024 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccncc2)cc1[N+](=O)[O-] ZINC000271132489 432334276 /nfs/dbraw/zinc/33/42/76/432334276.db2.gz MGBXLRCMOFFMMS-CYBMUJFWSA-N 1 0 315.373 3.282 20 5 DGBDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000271148387 432336162 /nfs/dbraw/zinc/33/61/62/432336162.db2.gz PYCIFPWGCUPNHZ-UONOGXRCSA-N 1 0 324.421 3.443 20 5 DGBDRO Cc1cnc(C(C)(C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000183936501 432336333 /nfs/dbraw/zinc/33/63/33/432336333.db2.gz NGQVQVNSRLLUQX-UHFFFAOYSA-N 1 0 321.402 3.263 20 5 DGBDRO CC[N@H+](CCCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000271166083 432341301 /nfs/dbraw/zinc/34/13/01/432341301.db2.gz CKUDBBKGWJWZJP-UHFFFAOYSA-N 1 0 304.346 3.059 20 5 DGBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192169494 432341344 /nfs/dbraw/zinc/34/13/44/432341344.db2.gz AILPEYPVRDOIEU-CYBMUJFWSA-N 1 0 310.419 3.191 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173898070 432306528 /nfs/dbraw/zinc/30/65/28/432306528.db2.gz RFAWMKPVBUISQL-GFCCVEGCSA-N 1 0 311.813 3.022 20 5 DGBDRO C[NH+](C)CCCC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000270950973 432307942 /nfs/dbraw/zinc/30/79/42/432307942.db2.gz LYRGXRLUMZJGEF-UHFFFAOYSA-N 1 0 309.385 3.292 20 5 DGBDRO CC(C)[N@@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000270995903 432312345 /nfs/dbraw/zinc/31/23/45/432312345.db2.gz JPIXAVATMHMWGH-VMPITWQZSA-N 1 0 303.406 3.024 20 5 DGBDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174868948 432375148 /nfs/dbraw/zinc/37/51/48/432375148.db2.gz CHIYBHXKXASEAX-GFCCVEGCSA-N 1 0 322.796 3.008 20 5 DGBDRO CC(C)CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000192481032 432380607 /nfs/dbraw/zinc/38/06/07/432380607.db2.gz PFDLLXKLIRSRAN-UHFFFAOYSA-N 1 0 312.439 3.221 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000174921771 432380850 /nfs/dbraw/zinc/38/08/50/432380850.db2.gz LRFJXDVLIMWGGM-QWHCGFSZSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192525971 432383869 /nfs/dbraw/zinc/38/38/69/432383869.db2.gz CRQVOYWZNGTJOG-MNOVXSKESA-N 1 0 310.423 3.116 20 5 DGBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000184403481 432387176 /nfs/dbraw/zinc/38/71/76/432387176.db2.gz JSYXMFMYTMXEQG-CQSZACIVSA-N 1 0 321.402 3.479 20 5 DGBDRO C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271408295 432388586 /nfs/dbraw/zinc/38/85/86/432388586.db2.gz AJBSTCYZRFWEJI-ZMSDIMECSA-N 1 0 320.433 3.304 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000184585756 432407418 /nfs/dbraw/zinc/40/74/18/432407418.db2.gz JJMGNPMLRFWNMQ-RISCZKNCSA-N 1 0 316.361 3.313 20 5 DGBDRO CCc1nnc([C@@H](C)N[C@H](CC)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271425155 432392208 /nfs/dbraw/zinc/39/22/08/432392208.db2.gz CKKMSRZCAJOKOW-ZWNOBZJWSA-N 1 0 303.366 3.077 20 5 DGBDRO CCC[C@H]([NH2+]Cc1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000271452059 432399243 /nfs/dbraw/zinc/39/92/43/432399243.db2.gz FWLPWPAIFZPZLL-INIZCTEOSA-N 1 0 302.378 3.442 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC(O)(CC)CC)cc1[N+](=O)[O-] ZINC000153386958 432405241 /nfs/dbraw/zinc/40/52/41/432405241.db2.gz VODXILYVVFBBTF-LBPRGKRZSA-N 1 0 310.394 3.195 20 5 DGBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1O ZINC000271275977 432366946 /nfs/dbraw/zinc/36/69/46/432366946.db2.gz KUWVLCCKIDJMMN-BLLLJJGKSA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000192963152 432433569 /nfs/dbraw/zinc/43/35/69/432433569.db2.gz GOVBYMZKZFSWRK-SJCJKPOMSA-N 1 0 304.390 3.377 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]1(C)CCCO ZINC000272062770 432439250 /nfs/dbraw/zinc/43/92/50/432439250.db2.gz XBVUAQDEHNVBBS-QGZVFWFLSA-N 1 0 322.405 3.121 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000153828263 432446538 /nfs/dbraw/zinc/44/65/38/432446538.db2.gz VYSKXGQYNSHKIH-DYVFJYSZSA-N 1 0 300.358 3.287 20 5 DGBDRO Cc1cnc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000185019284 432455799 /nfs/dbraw/zinc/45/57/99/432455799.db2.gz HBBNKURZASDYIQ-LLVKDONJSA-N 1 0 307.375 3.089 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000261850725 432456568 /nfs/dbraw/zinc/45/65/68/432456568.db2.gz DLCUSBAYBMNHDR-JTQLQIEISA-N 1 0 317.311 3.415 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)ccc1Cl ZINC000153433119 432407905 /nfs/dbraw/zinc/40/79/05/432407905.db2.gz XXEKUAWSKJICQS-LBPRGKRZSA-N 1 0 310.781 3.249 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000153961095 432458610 /nfs/dbraw/zinc/45/86/10/432458610.db2.gz XZYOSQHMMJJETM-CYBMUJFWSA-N 1 0 324.421 3.443 20 5 DGBDRO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000184667765 432419355 /nfs/dbraw/zinc/41/93/55/432419355.db2.gz BBKMBWHNYQWCDO-NSHDSACASA-N 1 0 308.769 3.013 20 5 DGBDRO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)C ZINC000193227744 432458863 /nfs/dbraw/zinc/45/88/63/432458863.db2.gz KUACNVOMYPMBRG-UHFFFAOYSA-N 1 0 304.350 3.123 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000192853608 432422072 /nfs/dbraw/zinc/42/20/72/432422072.db2.gz CTLURCKLTQMAID-ZBEGNZNMSA-N 1 0 302.378 3.439 20 5 DGBDRO CC1(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]CC1 ZINC000262372867 432482691 /nfs/dbraw/zinc/48/26/91/432482691.db2.gz XQYPWOUQSXSLJH-UHFFFAOYSA-N 1 0 317.311 3.415 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000154263427 432485828 /nfs/dbraw/zinc/48/58/28/432485828.db2.gz AGCPIUYRSNZJGO-CHWSQXEVSA-N 1 0 322.405 3.459 20 5 DGBDRO Cc1c(CN[C@H](C)C[C@H]2CCCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000262511737 432489502 /nfs/dbraw/zinc/48/95/02/432489502.db2.gz NARPQPVKLDKUMD-CZUORRHYSA-N 1 0 305.422 3.304 20 5 DGBDRO C[N@H+](CCSc1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000193745507 432495439 /nfs/dbraw/zinc/49/54/39/432495439.db2.gz SFAVHOZSEHENQZ-UHFFFAOYSA-N 1 0 303.387 3.214 20 5 DGBDRO CC(C)(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000176216237 432501822 /nfs/dbraw/zinc/50/18/22/432501822.db2.gz ATLMXNQGYZAUMF-OAHLLOKOSA-N 1 0 320.368 3.307 20 5 DGBDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176251477 432503961 /nfs/dbraw/zinc/50/39/61/432503961.db2.gz AYTJJOKNJATTRM-AWEZNQCLSA-N 1 0 318.377 3.310 20 5 DGBDRO C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000261956585 432464016 /nfs/dbraw/zinc/46/40/16/432464016.db2.gz OCTTYVCGWXHEQT-NXEZZACHSA-N 1 0 317.311 3.414 20 5 DGBDRO CCOc1cc(NC[C@@H]([NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC000261982524 432465979 /nfs/dbraw/zinc/46/59/79/432465979.db2.gz RQWBKFNYZGHZFR-CQSZACIVSA-N 1 0 301.346 3.105 20 5 DGBDRO C[C@@]1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000273096067 432550322 /nfs/dbraw/zinc/55/03/22/432550322.db2.gz URXFHNUKQXKNKX-LSDHHAIUSA-N 1 0 310.781 3.295 20 5 DGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185605564 432514711 /nfs/dbraw/zinc/51/47/11/432514711.db2.gz YCVOTZYBQQGORO-RISCZKNCSA-N 1 0 316.361 3.265 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCOC(F)F)CCC2 ZINC000194027337 432517132 /nfs/dbraw/zinc/51/71/32/432517132.db2.gz WBNBNQMUYPCKKM-CYBMUJFWSA-N 1 0 300.305 3.191 20 5 DGBDRO Cc1cc(N[C@@H]2CCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272890584 432537230 /nfs/dbraw/zinc/53/72/30/432537230.db2.gz XUPBDDDBPKZAAE-VXGBXAGGSA-N 1 0 301.346 3.431 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000273058098 432544331 /nfs/dbraw/zinc/54/43/31/432544331.db2.gz LVUXPFLDZBANPK-KGLIPLIRSA-N 1 0 322.405 3.288 20 5 DGBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)o1 ZINC000263739845 432570448 /nfs/dbraw/zinc/57/04/48/432570448.db2.gz RDTKDBHYGAXNPK-AWEZNQCLSA-N 1 0 316.361 3.140 20 5 DGBDRO COCC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000273309491 432582500 /nfs/dbraw/zinc/58/25/00/432582500.db2.gz UBGIMCWBWHSPMV-HNNXBMFYSA-N 1 0 304.346 3.098 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(CO)CCCC1)C1CC1 ZINC000186485513 432601256 /nfs/dbraw/zinc/60/12/56/432601256.db2.gz XRXHXSIBWHZCPU-MRXNPFEDSA-N 1 0 318.417 3.058 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000158492693 432647834 /nfs/dbraw/zinc/64/78/34/432647834.db2.gz IPYBFIVIMJFHHI-DOMZBBRYSA-N 1 0 323.824 3.164 20 5 DGBDRO Cc1nc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301659018 281974900 /nfs/dbraw/zinc/97/49/00/281974900.db2.gz SYALIWCPWJGYGJ-HNNXBMFYSA-N 1 0 318.352 3.152 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000195666893 432633467 /nfs/dbraw/zinc/63/34/67/432633467.db2.gz HJMLYVYMTYGLNI-VXGBXAGGSA-N 1 0 322.365 3.035 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]CC2=Cc3ccccc3OC2)c1 ZINC000157983887 432635172 /nfs/dbraw/zinc/63/51/72/432635172.db2.gz FJOMKTOWZLCYNC-UHFFFAOYSA-N 1 0 310.353 3.203 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c2c(c1)COCO2 ZINC000177579756 432639497 /nfs/dbraw/zinc/63/94/97/432639497.db2.gz XPIOHDUQNRMSCM-STQMWFEESA-N 1 0 318.373 3.083 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000264517691 432654880 /nfs/dbraw/zinc/65/48/80/432654880.db2.gz ZHWKWYLBEOIOEM-CQSZACIVSA-N 1 0 316.361 3.140 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000178173311 432703152 /nfs/dbraw/zinc/70/31/52/432703152.db2.gz FTLRPXRVICYINY-CYBMUJFWSA-N 1 0 306.410 3.222 20 5 DGBDRO CC(C)(O)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000274771235 432707129 /nfs/dbraw/zinc/70/71/29/432707129.db2.gz HOGCGNGNNAXHKU-DZGCQCFKSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)C[NH+]1CCCCC1 ZINC000227649838 432714228 /nfs/dbraw/zinc/71/42/28/432714228.db2.gz RVWZDTGTPMYIRA-NSHDSACASA-N 1 0 312.801 3.177 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000160437887 432720276 /nfs/dbraw/zinc/72/02/76/432720276.db2.gz IGUMNXHZKRIQRH-AWEZNQCLSA-N 1 0 307.369 3.189 20 5 DGBDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000160539082 432726665 /nfs/dbraw/zinc/72/66/65/432726665.db2.gz OUHKEIRFDVKNCK-UHFFFAOYSA-N 1 0 322.409 3.181 20 5 DGBDRO CC(C)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000265271917 432684160 /nfs/dbraw/zinc/68/41/60/432684160.db2.gz UNGDMKFWNMCKIH-UHFFFAOYSA-N 1 0 306.387 3.184 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000266585074 432767861 /nfs/dbraw/zinc/76/78/61/432767861.db2.gz JWYUCZGPPXTNOI-UHFFFAOYSA-N 1 0 318.295 3.390 20 5 DGBDRO Cc1ccnc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000161314841 432772402 /nfs/dbraw/zinc/77/24/02/432772402.db2.gz JEZAODIUPMWVDE-CQSZACIVSA-N 1 0 306.410 3.078 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+](CCO)C3CCC3)o2)c1 ZINC000276117600 432773761 /nfs/dbraw/zinc/77/37/61/432773761.db2.gz XXRDIBDYPCXMNQ-UHFFFAOYSA-N 1 0 316.357 3.202 20 5 DGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000161426152 432778415 /nfs/dbraw/zinc/77/84/15/432778415.db2.gz FCGNHLMOPUYGAS-CHWSQXEVSA-N 1 0 305.378 3.092 20 5 DGBDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000134467780 292669902 /nfs/dbraw/zinc/66/99/02/292669902.db2.gz ZYLJKSHIXMKNGQ-QGZVFWFLSA-N 1 0 318.373 3.496 20 5 DGBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000189351270 432780439 /nfs/dbraw/zinc/78/04/39/432780439.db2.gz CXBKTPXMFLPEQV-JKSUJKDBSA-N 1 0 316.357 3.104 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000237241104 432781316 /nfs/dbraw/zinc/78/13/16/432781316.db2.gz STJFJZFXYBCPHS-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(NC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000236043627 432745939 /nfs/dbraw/zinc/74/59/39/432745939.db2.gz RKMZHYBVQXCZCL-QMMMGPOBSA-N 1 0 304.177 3.313 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000162322267 432819760 /nfs/dbraw/zinc/81/97/60/432819760.db2.gz FBPJQOFUFXRUBG-GXTWGEPZSA-N 1 0 308.378 3.151 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245471739 432835603 /nfs/dbraw/zinc/83/56/03/432835603.db2.gz YBVPNIZYXHTFAE-CABCVRRESA-N 1 0 305.422 3.366 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266786973 432787412 /nfs/dbraw/zinc/78/74/12/432787412.db2.gz OKSIEDGBWKWHMA-PBHICJAKSA-N 1 0 314.385 3.412 20 5 DGBDRO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000161607254 432787948 /nfs/dbraw/zinc/78/79/48/432787948.db2.gz OIBVFKBCACNMSQ-NUEKZKHPSA-N 1 0 303.406 3.181 20 5 DGBDRO Cc1ccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000237630672 432793742 /nfs/dbraw/zinc/79/37/42/432793742.db2.gz RFOGXVCJAJJIGJ-ZIAGYGMSSA-N 1 0 305.378 3.139 20 5 DGBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000276329850 432798502 /nfs/dbraw/zinc/79/85/02/432798502.db2.gz KXHNHGGSBRJOIW-UHFFFAOYSA-N 1 0 316.361 3.017 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266924240 432798912 /nfs/dbraw/zinc/79/89/12/432798912.db2.gz ZDSWDEXIWGBFBH-BDJLRTHQSA-N 1 0 304.321 3.118 20 5 DGBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000237792541 432800791 /nfs/dbraw/zinc/80/07/91/432800791.db2.gz FNUBAXVJXBSVQH-KDOFPFPSSA-N 1 0 319.408 3.245 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161977721 432806349 /nfs/dbraw/zinc/80/63/49/432806349.db2.gz GFRUKUOQIVZVFO-XTBFLFJDSA-N 1 0 304.390 3.367 20 5 DGBDRO Cc1cc(N[C@@H](C)CCCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000296317513 432896272 /nfs/dbraw/zinc/89/62/72/432896272.db2.gz OCWNZPDCNIQYAB-NSHDSACASA-N 1 0 303.362 3.414 20 5 DGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000163172966 432845306 /nfs/dbraw/zinc/84/53/06/432845306.db2.gz XRIASYFWCUPZOH-UKRRQHHQSA-N 1 0 319.405 3.400 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000163497089 432854254 /nfs/dbraw/zinc/85/42/54/432854254.db2.gz MARDWPNBFMLKAL-HOCLYGCPSA-N 1 0 322.405 3.140 20 5 DGBDRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000277530163 432858343 /nfs/dbraw/zinc/85/83/43/432858343.db2.gz OSDHRKZPPUQDNF-SECBINFHSA-N 1 0 324.274 3.162 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000268243421 432858724 /nfs/dbraw/zinc/85/87/24/432858724.db2.gz HICYAXLCNRCMDP-CVEARBPZSA-N 1 0 316.357 3.276 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000279056531 432930363 /nfs/dbraw/zinc/93/03/63/432930363.db2.gz KNIROBOXGLITTN-MEDUHNTESA-N 1 0 314.389 3.402 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279066236 432931266 /nfs/dbraw/zinc/93/12/66/432931266.db2.gz LHSFXDOIUMQFKP-WBMJQRKESA-N 1 0 304.390 3.476 20 5 DGBDRO CC[C@H](CCO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279119109 432936189 /nfs/dbraw/zinc/93/61/89/432936189.db2.gz PWDMFFYLXTVRNJ-WBMJQRKESA-N 1 0 306.406 3.315 20 5 DGBDRO Cc1ccsc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331526582 432946597 /nfs/dbraw/zinc/94/65/97/432946597.db2.gz DJVABQCZTZDGQO-QWHCGFSZSA-N 1 0 320.418 3.435 20 5 DGBDRO Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000330441839 432910678 /nfs/dbraw/zinc/91/06/78/432910678.db2.gz DZZUGDAWUVTLBZ-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330616042 432920895 /nfs/dbraw/zinc/92/08/95/432920895.db2.gz DFMNNUDZABVBMK-AWEZNQCLSA-N 1 0 305.378 3.489 20 5 DGBDRO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000331969057 432965254 /nfs/dbraw/zinc/96/52/54/432965254.db2.gz JMMUVHDSTRIYFI-UVBJJODRSA-N 1 0 303.406 3.047 20 5 DGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000332069106 432970072 /nfs/dbraw/zinc/97/00/72/432970072.db2.gz USFKXNBTPSVPIK-MRXNPFEDSA-N 1 0 317.389 3.330 20 5 DGBDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332222495 432987271 /nfs/dbraw/zinc/98/72/71/432987271.db2.gz YFORAVLFPQKXGN-QWRGUYRKSA-N 1 0 302.378 3.385 20 5 DGBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC(C)(C)O ZINC000290126061 432996675 /nfs/dbraw/zinc/99/66/75/432996675.db2.gz ZBOFWTSNJRVCAM-UHFFFAOYSA-N 1 0 307.177 3.104 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000280014670 433000202 /nfs/dbraw/zinc/00/02/02/433000202.db2.gz GWWXUKXQTISNPI-SWLSCSKDSA-N 1 0 314.389 3.365 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000290276380 433024806 /nfs/dbraw/zinc/02/48/06/433024806.db2.gz WSQNROOQGRIMMP-IUODEOHRSA-N 1 0 322.405 3.195 20 5 DGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000290458249 433057137 /nfs/dbraw/zinc/05/71/37/433057137.db2.gz MWIWLUPNYGAFKY-GQCTYLIASA-N 1 0 304.390 3.091 20 5 DGBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000280487686 433060689 /nfs/dbraw/zinc/06/06/89/433060689.db2.gz OORFLKOIVPFCLE-INIZCTEOSA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000280504050 433061627 /nfs/dbraw/zinc/06/16/27/433061627.db2.gz GIDVVPWTKJWFBC-ZANVPECISA-N 1 0 318.295 3.128 20 5 DGBDRO CC(C)CC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000361306748 433092729 /nfs/dbraw/zinc/09/27/29/433092729.db2.gz YDDLVFSUXSVBQJ-QGZVFWFLSA-N 1 0 306.406 3.356 20 5 DGBDRO Cc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420230207 433128207 /nfs/dbraw/zinc/12/82/07/433128207.db2.gz IGTLDBAXHSUPSV-NXEZZACHSA-N 1 0 317.311 3.096 20 5 DGBDRO CC[NH2+][C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420235859 433131880 /nfs/dbraw/zinc/13/18/80/433131880.db2.gz AEPHNHPSIBOCNL-SECBINFHSA-N 1 0 305.300 3.332 20 5 DGBDRO CCN(CCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1C(C)=O ZINC000425252455 433134475 /nfs/dbraw/zinc/13/44/75/433134475.db2.gz HLPPKIGBVXUADQ-UHFFFAOYSA-N 1 0 319.405 3.110 20 5 DGBDRO [NH3+]C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C1CCCC1 ZINC000420274162 433140073 /nfs/dbraw/zinc/14/00/73/433140073.db2.gz JQROMPUJXMORLK-CQSZACIVSA-N 1 0 300.362 3.072 20 5 DGBDRO CC[NH2+]CC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000420288561 433144108 /nfs/dbraw/zinc/14/41/08/433144108.db2.gz JFVAIOIACIYYIW-CQSZACIVSA-N 1 0 305.422 3.286 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000420277058 433144548 /nfs/dbraw/zinc/14/45/48/433144548.db2.gz HXUDKIHVCMDMCV-NWDGAFQWSA-N 1 0 300.362 3.072 20 5 DGBDRO C[C@@H]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000453400758 433152315 /nfs/dbraw/zinc/15/23/15/433152315.db2.gz CYEFYIGEMLNQGU-UHOFOFEASA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@H](CCO)C1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000271851418 289494775 /nfs/dbraw/zinc/49/47/75/289494775.db2.gz ISUOKKIXXQBENW-KGLIPLIRSA-N 1 0 306.406 3.434 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000453351307 433112967 /nfs/dbraw/zinc/11/29/67/433112967.db2.gz HGYXDZDTRBKXTR-KGLIPLIRSA-N 1 0 322.405 3.461 20 5 DGBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO[C@H]1C1CC1 ZINC000341527645 433115617 /nfs/dbraw/zinc/11/56/17/433115617.db2.gz BQLUHNMHGREWTP-JKSUJKDBSA-N 1 0 308.353 3.029 20 5 DGBDRO CC(C)[C@@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000298381997 433115559 /nfs/dbraw/zinc/11/55/59/433115559.db2.gz AJJYLLKINDUDNY-LLVKDONJSA-N 1 0 304.350 3.121 20 5 DGBDRO Cc1cc(C)cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446852751 433119576 /nfs/dbraw/zinc/11/95/76/433119576.db2.gz QKONFFOLKKCRRP-UHFFFAOYSA-N 1 0 310.357 3.378 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3C3CC3)nc2c1 ZINC000446858086 433120090 /nfs/dbraw/zinc/12/00/90/433120090.db2.gz YNYVWLHVYAVJLA-CHWSQXEVSA-N 1 0 300.362 3.139 20 5 DGBDRO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000453402362 433159003 /nfs/dbraw/zinc/15/90/03/433159003.db2.gz FRQSBWYMPUNGQZ-PVXIVEMSSA-N 1 0 304.390 3.474 20 5 DGBDRO C[C@@H](CO)[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CCC1 ZINC000361498560 433209913 /nfs/dbraw/zinc/20/99/13/433209913.db2.gz USZOWGGSEDRJTG-NSHDSACASA-N 1 0 312.797 3.231 20 5 DGBDRO CC[C@H](CCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290851865 433190272 /nfs/dbraw/zinc/19/02/72/433190272.db2.gz JRTUEOVDPFNVNU-SECBINFHSA-N 1 0 321.204 3.400 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cs1 ZINC000425373384 433210849 /nfs/dbraw/zinc/21/08/49/433210849.db2.gz PUCBQTIQGMEYOG-HNNXBMFYSA-N 1 0 322.430 3.437 20 5 DGBDRO CC(=O)c1cc(NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000420623594 433232899 /nfs/dbraw/zinc/23/28/99/433232899.db2.gz HVDWYYPPXMVNJD-UHFFFAOYSA-N 1 0 305.378 3.082 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CC3CC3)CC3CCC3)nc2c1 ZINC000361572661 433256452 /nfs/dbraw/zinc/25/64/52/433256452.db2.gz VEBGQOQFYMWTGF-UHFFFAOYSA-N 1 0 314.389 3.483 20 5 DGBDRO CCOc1cc(N(CC)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000350722857 433263877 /nfs/dbraw/zinc/26/38/77/433263877.db2.gz AEFYKKDLUXIUSH-UHFFFAOYSA-N 1 0 321.421 3.306 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1C ZINC000413216668 433267116 /nfs/dbraw/zinc/26/71/16/433267116.db2.gz UNGUURAPBANKLH-OLZOCXBDSA-N 1 0 314.389 3.062 20 5 DGBDRO CCC[NH+](CCC)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000341853646 433316658 /nfs/dbraw/zinc/31/66/58/433316658.db2.gz TVLHOVQJGCOJFY-UHFFFAOYSA-N 1 0 322.409 3.228 20 5 DGBDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000291584123 433277120 /nfs/dbraw/zinc/27/71/20/433277120.db2.gz PDTIXWLNVGSJMY-MRXNPFEDSA-N 1 0 302.374 3.368 20 5 DGBDRO COC1CCC(Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000413420631 433278522 /nfs/dbraw/zinc/27/85/22/433278522.db2.gz PLJDXCHMWBMLQG-UHFFFAOYSA-N 1 0 315.373 3.243 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000291673392 433308033 /nfs/dbraw/zinc/30/80/33/433308033.db2.gz WMBLWQSLJYFGDO-KCJUWKMLSA-N 1 0 319.188 3.152 20 5 DGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCOC1 ZINC000339190687 433430708 /nfs/dbraw/zinc/43/07/08/433430708.db2.gz YPWOIOYHNFIBQD-LBPRGKRZSA-N 1 0 318.295 3.224 20 5 DGBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000425958213 433383677 /nfs/dbraw/zinc/38/36/77/433383677.db2.gz FJAZVZKYQDBFAF-CHWSQXEVSA-N 1 0 316.357 3.058 20 5 DGBDRO O=[N+]([O-])c1ccc(NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000301095903 433413887 /nfs/dbraw/zinc/41/38/87/433413887.db2.gz NVRZEJRJVXJPJR-UHFFFAOYSA-N 1 0 311.385 3.455 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000301123046 433424676 /nfs/dbraw/zinc/42/46/76/433424676.db2.gz MYEYAZONNRVWCI-MLGOLLRUSA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1ncc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000414180593 433445715 /nfs/dbraw/zinc/44/57/15/433445715.db2.gz LPAHLEUIQVJCMV-OAHLLOKOSA-N 1 0 301.346 3.002 20 5 DGBDRO COc1cc(NCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301214487 433453746 /nfs/dbraw/zinc/45/37/46/433453746.db2.gz ZCHCHBQBARBIAJ-CYBMUJFWSA-N 1 0 307.394 3.280 20 5 DGBDRO CC(C)c1nnc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000426288415 433455224 /nfs/dbraw/zinc/45/52/24/433455224.db2.gz JFKCZRBHMLUDAE-LLVKDONJSA-N 1 0 320.418 3.463 20 5 DGBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000292085320 433456828 /nfs/dbraw/zinc/45/68/28/433456828.db2.gz MNINDKLHHDDSHQ-LBPRGKRZSA-N 1 0 321.421 3.140 20 5 DGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414197867 433458650 /nfs/dbraw/zinc/45/86/50/433458650.db2.gz CEBLQVFKXYKPAE-IIVZCXTMSA-N 1 0 318.417 3.463 20 5 DGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302788542 290182151 /nfs/dbraw/zinc/18/21/51/290182151.db2.gz XMQGYTSXLRKYLC-DGCLKSJQSA-N 1 0 309.797 3.169 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)OCC1CC1 ZINC000414250510 433484738 /nfs/dbraw/zinc/48/47/38/433484738.db2.gz BFRQQVWZTFEMKF-ZDUSSCGKSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCSCC1 ZINC000355183739 433514090 /nfs/dbraw/zinc/51/40/90/433514090.db2.gz WCWSZTKXWKUTSS-SNVBAGLBSA-N 1 0 320.418 3.092 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H](O)C(C)C ZINC000414286166 433514153 /nfs/dbraw/zinc/51/41/53/433514153.db2.gz CKRCWUJNOHWJOE-BBWFWOEESA-N 1 0 306.406 3.357 20 5 DGBDRO CCOC(=O)CCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292262942 433527178 /nfs/dbraw/zinc/52/71/78/433527178.db2.gz YWDUVUAORHRWDH-UHFFFAOYSA-N 1 0 308.378 3.153 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cccs2)n1 ZINC000351496229 433530764 /nfs/dbraw/zinc/53/07/64/433530764.db2.gz SQMPTZHCQXXMRS-UONOGXRCSA-N 1 0 320.418 3.169 20 5 DGBDRO CC[C@@H](C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000421390448 433531166 /nfs/dbraw/zinc/53/11/66/433531166.db2.gz UVKBNUJJBJMENZ-IUODEOHRSA-N 1 0 302.378 3.053 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2ccccc2)n1 ZINC000351494389 433531993 /nfs/dbraw/zinc/53/19/93/433531993.db2.gz RDNIEXXRWWVKQH-HOTGVXAUSA-N 1 0 314.389 3.107 20 5 DGBDRO C[C@@H]1C[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[C@H](C)O1 ZINC000414259083 433492250 /nfs/dbraw/zinc/49/22/50/433492250.db2.gz FMHHNRUMWGKLAP-GFOFROLCSA-N 1 0 318.417 3.319 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)n2)cc1 ZINC000426461439 433502227 /nfs/dbraw/zinc/50/22/27/433502227.db2.gz PDYKENBEFMLKNV-SMDDNHRTSA-N 1 0 314.345 3.019 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(C(F)F)CC2)c1 ZINC000355172812 433507061 /nfs/dbraw/zinc/50/70/61/433507061.db2.gz XPTJTNMPOZJOGL-UHFFFAOYSA-N 1 0 322.258 3.331 20 5 DGBDRO COCCN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000362169246 433557696 /nfs/dbraw/zinc/55/76/96/433557696.db2.gz FUPODKKGFXEYNJ-CHWSQXEVSA-N 1 0 310.369 3.371 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CNCc1nccc(C(F)F)n1 ZINC000342244605 433558669 /nfs/dbraw/zinc/55/86/69/433558669.db2.gz KGHOFDHTGIELBF-HYXAFXHYSA-N 1 0 320.299 3.125 20 5 DGBDRO CCOc1cc(NC[C@@H](CC)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000356478488 433578253 /nfs/dbraw/zinc/57/82/53/433578253.db2.gz DMLDWZJVNBULOI-CQSZACIVSA-N 1 0 307.394 3.280 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000342291317 433590937 /nfs/dbraw/zinc/59/09/37/433590937.db2.gz DSRZUGYVHNCHNA-CYBMUJFWSA-N 1 0 320.776 3.114 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(c2ccncn2)CC1 ZINC000414472456 433641159 /nfs/dbraw/zinc/64/11/59/433641159.db2.gz RXPVAYDEWUXIIE-HYXAFXHYSA-N 1 0 324.384 3.278 20 5 DGBDRO CO[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000339529470 433642007 /nfs/dbraw/zinc/64/20/07/433642007.db2.gz KFIDQMJMIABRIY-QGZVFWFLSA-N 1 0 316.357 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000292826931 433599011 /nfs/dbraw/zinc/59/90/11/433599011.db2.gz TXJOLVSRMCNBNX-AWEZNQCLSA-N 1 0 310.781 3.128 20 5 DGBDRO COc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000342310507 433608864 /nfs/dbraw/zinc/60/88/64/433608864.db2.gz XZGWJQIHAVGTLA-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000293005934 433610948 /nfs/dbraw/zinc/61/09/48/433610948.db2.gz PFGOGLMWXMKESH-MRXNPFEDSA-N 1 0 323.824 3.166 20 5 DGBDRO CCc1ccc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000356746381 433674587 /nfs/dbraw/zinc/67/45/87/433674587.db2.gz YVVNDGYDAWVDNZ-INIZCTEOSA-N 1 0 316.405 3.378 20 5 DGBDRO COCC1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000414510143 433674742 /nfs/dbraw/zinc/67/47/42/433674742.db2.gz HEGTYOYZCPARAY-GQCTYLIASA-N 1 0 304.390 3.403 20 5 DGBDRO Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000449027321 433679720 /nfs/dbraw/zinc/67/97/20/433679720.db2.gz IJLJYPAOQQSWRH-CYBMUJFWSA-N 1 0 318.402 3.046 20 5 DGBDRO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000366882761 293000169 /nfs/dbraw/zinc/00/01/69/293000169.db2.gz MCLJOORHKLECGY-HOCLYGCPSA-N 1 0 314.389 3.059 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000283246819 433697254 /nfs/dbraw/zinc/69/72/54/433697254.db2.gz JRWMPNLJHRAKTM-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000373784055 293316190 /nfs/dbraw/zinc/31/61/90/293316190.db2.gz WFIJXBKTDYRSNC-ZDUSSCGKSA-N 1 0 302.330 3.186 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccccc1 ZINC000449064856 433721818 /nfs/dbraw/zinc/72/18/18/433721818.db2.gz WNPCFXJILQTCGI-AWEZNQCLSA-N 1 0 300.358 3.194 20 5 DGBDRO Cc1c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000374340581 293387044 /nfs/dbraw/zinc/38/70/44/293387044.db2.gz KSSSREKNAJGSMC-MRXNPFEDSA-N 1 0 304.390 3.152 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301770011 433716476 /nfs/dbraw/zinc/71/64/76/433716476.db2.gz IWIQNBZDOPKMQH-HOCLYGCPSA-N 1 0 315.417 3.356 20 5 DGBDRO Cc1cc(NC[C@@H]2CCCC[N@H+]2CC(C)C)ncc1[N+](=O)[O-] ZINC000301782759 433720897 /nfs/dbraw/zinc/72/08/97/433720897.db2.gz KDDRFUUQWMSRJJ-AWEZNQCLSA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301800309 433726571 /nfs/dbraw/zinc/72/65/71/433726571.db2.gz VNDDHGGOTHIBAH-HOCLYGCPSA-N 1 0 315.417 3.356 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CCC(C)(C)C ZINC000449301252 433732404 /nfs/dbraw/zinc/73/24/04/433732404.db2.gz RBUBXOBTXWQNBM-UKRRQHHQSA-N 1 0 308.422 3.303 20 5 DGBDRO C[C@H]1C[NH2+]CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414662867 433773634 /nfs/dbraw/zinc/77/36/34/433773634.db2.gz ZXFARUUZWPKDFG-LBPRGKRZSA-N 1 0 317.414 3.117 20 5 DGBDRO [NH3+]C[C@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414658998 433774827 /nfs/dbraw/zinc/77/48/27/433774827.db2.gz MCBSITPDPMYNQY-GFCCVEGCSA-N 1 0 317.414 3.246 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCC1(O)CCC1)CCC2 ZINC000421858240 433779241 /nfs/dbraw/zinc/77/92/41/433779241.db2.gz PJFBOUCJTPJCME-INIZCTEOSA-N 1 0 304.390 3.257 20 5 DGBDRO CCOC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCCC1 ZINC000293595815 433796855 /nfs/dbraw/zinc/79/68/55/433796855.db2.gz DAJXGMAVEOMCHM-GFCCVEGCSA-N 1 0 307.394 3.177 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000449784815 433799797 /nfs/dbraw/zinc/79/97/97/433799797.db2.gz YMHHNIIRRVXXMX-VMPITWQZSA-N 1 0 303.406 3.072 20 5 DGBDRO C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283970427 433806689 /nfs/dbraw/zinc/80/66/89/433806689.db2.gz GOAPRNZYIRBXJU-CYBMUJFWSA-N 1 0 321.421 3.161 20 5 DGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000343609071 433818677 /nfs/dbraw/zinc/81/86/77/433818677.db2.gz MENIQOBQTCZWLB-WCQYABFASA-N 1 0 309.797 3.311 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000302701233 433830063 /nfs/dbraw/zinc/83/00/63/433830063.db2.gz UWKBDRICIAUNAR-NEPJUHHUSA-N 1 0 309.797 3.230 20 5 DGBDRO CC(C)(C)c1ccc(C(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000293701007 433835092 /nfs/dbraw/zinc/83/50/92/433835092.db2.gz PXUAQHKZFMHUDA-UHFFFAOYSA-N 1 0 321.421 3.140 20 5 DGBDRO C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000284287218 433877753 /nfs/dbraw/zinc/87/77/53/433877753.db2.gz HXWVVUGGXFAIKP-JTQLQIEISA-N 1 0 323.299 3.442 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@@]2(C)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433120735 433842095 /nfs/dbraw/zinc/84/20/95/433842095.db2.gz OWJNFAQYJMPGSV-DOTOQJQBSA-N 1 0 304.390 3.333 20 5 DGBDRO CCN(CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433121954 433842633 /nfs/dbraw/zinc/84/26/33/433842633.db2.gz TZQLYPOFTTZAGL-QGZVFWFLSA-N 1 0 317.433 3.391 20 5 DGBDRO CCN1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175878 433843158 /nfs/dbraw/zinc/84/31/58/433843158.db2.gz NEFNFOLNYZZDIW-PBHICJAKSA-N 1 0 317.433 3.391 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000433125504 433843628 /nfs/dbraw/zinc/84/36/28/433843628.db2.gz KRSPWXOKQOUQBQ-SJKOYZFVSA-N 1 0 317.433 3.390 20 5 DGBDRO CO[C@H]1CC[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000302737986 433846676 /nfs/dbraw/zinc/84/66/76/433846676.db2.gz BRGJEMPUEZMNLS-YPMHNXCESA-N 1 0 301.346 3.431 20 5 DGBDRO C[C@@H]1[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCN1C ZINC000433229408 433847202 /nfs/dbraw/zinc/84/72/02/433847202.db2.gz RDSMPRQXZZDQBH-DQYPLSBCSA-N 1 0 317.433 3.390 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344415475 433866637 /nfs/dbraw/zinc/86/66/37/433866637.db2.gz IMWUIBGAIJTNRH-CABCVRRESA-N 1 0 318.421 3.081 20 5 DGBDRO C[C@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000362895628 433899612 /nfs/dbraw/zinc/89/96/12/433899612.db2.gz BLVWHPFMOOTGJO-ZFWWWQNUSA-N 1 0 303.406 3.262 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000345189566 433902073 /nfs/dbraw/zinc/90/20/73/433902073.db2.gz KNGSRDWXCIRLGY-STQMWFEESA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293882921 433908825 /nfs/dbraw/zinc/90/88/25/433908825.db2.gz VNCOWUNVPIRXGZ-NEPJUHHUSA-N 1 0 303.362 3.442 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000302833989 433879244 /nfs/dbraw/zinc/87/92/44/433879244.db2.gz SXHJRICTVSLZRL-SWLSCSKDSA-N 1 0 323.824 3.477 20 5 DGBDRO CC(C)C[C@@H](C[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414851894 433883783 /nfs/dbraw/zinc/88/37/83/433883783.db2.gz QAPUEKJYZCHDFO-AWEZNQCLSA-N 1 0 317.389 3.318 20 5 DGBDRO CC[C@@H]([NH3+])CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414978550 433953541 /nfs/dbraw/zinc/95/35/41/433953541.db2.gz MKAYIGZGVFUTGW-LLVKDONJSA-N 1 0 305.403 3.150 20 5 DGBDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000436404748 433956391 /nfs/dbraw/zinc/95/63/91/433956391.db2.gz FYINGNXOEMPVQD-GXSJLCMTSA-N 1 0 300.305 3.474 20 5 DGBDRO CC(C)[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000352189099 433965974 /nfs/dbraw/zinc/96/59/74/433965974.db2.gz BZURZKVWOAONSS-HNNXBMFYSA-N 1 0 323.368 3.183 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3C3CC3)n2)c1 ZINC000363385118 434036855 /nfs/dbraw/zinc/03/68/55/434036855.db2.gz ULIMYUHAIFJMEW-CQSZACIVSA-N 1 0 314.345 3.019 20 5 DGBDRO O=C(CN1CCC[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363384639 434037053 /nfs/dbraw/zinc/03/70/53/434037053.db2.gz NJMFGXVBPQXOFO-CQSZACIVSA-N 1 0 323.780 3.061 20 5 DGBDRO C[C@@H]1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]1 ZINC000414957598 293894095 /nfs/dbraw/zinc/89/40/95/293894095.db2.gz WCMJIUYWBQPMDO-OLZOCXBDSA-N 1 0 315.373 3.085 20 5 DGBDRO Cc1noc(C)c1C(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000285841945 434084565 /nfs/dbraw/zinc/08/45/65/434084565.db2.gz XJNMVNTZTAAGHK-UHFFFAOYSA-N 1 0 319.361 3.103 20 5 DGBDRO CCC[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000453253871 293955788 /nfs/dbraw/zinc/95/57/88/293955788.db2.gz QBHLOFLRPJXBIF-HZPDHXFCSA-N 1 0 306.406 3.321 20 5 DGBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc2ccccc2c1 ZINC000357636985 434109606 /nfs/dbraw/zinc/10/96/06/434109606.db2.gz IFGQCTRQRYYSQU-UHFFFAOYSA-N 1 0 310.357 3.077 20 5 DGBDRO CCCC[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000505898961 294259228 /nfs/dbraw/zinc/25/92/28/294259228.db2.gz SFHFRURLSSMUSK-UHFFFAOYSA-N 1 0 318.373 3.449 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc[nH]c(=O)c1 ZINC000340446114 434137045 /nfs/dbraw/zinc/13/70/45/434137045.db2.gz JYTZCFYCADIHGD-ZBEGNZNMSA-N 1 0 313.357 3.424 20 5 DGBDRO Cc1nc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(C)o1 ZINC000357777822 434171829 /nfs/dbraw/zinc/17/18/29/434171829.db2.gz KCYJNAUFDNHXGH-NSHDSACASA-N 1 0 303.362 3.401 20 5 DGBDRO CC[C@H](CO)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000295082773 434187501 /nfs/dbraw/zinc/18/75/01/434187501.db2.gz IMNIGYSEAGNWHY-GFCCVEGCSA-N 1 0 304.346 3.058 20 5 DGBDRO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295102643 434198857 /nfs/dbraw/zinc/19/88/57/434198857.db2.gz TUFHHSFWQUSCBJ-IJEWVQPXSA-N 1 0 320.433 3.445 20 5 DGBDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000295105846 434205583 /nfs/dbraw/zinc/20/55/83/434205583.db2.gz LASHOKSKSXUHPI-CYBMUJFWSA-N 1 0 318.373 3.353 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000437044820 434207937 /nfs/dbraw/zinc/20/79/37/434207937.db2.gz IXWOLFULNDXTPK-BZPMIXESSA-N 1 0 305.378 3.090 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](N[C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423181575 434266242 /nfs/dbraw/zinc/26/62/42/434266242.db2.gz GCLLTPDXLKDVDP-SJLPKXTDSA-N 1 0 311.385 3.026 20 5 DGBDRO COc1ccncc1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000353610647 434268733 /nfs/dbraw/zinc/26/87/33/434268733.db2.gz VXHGQVHXCITUCT-MDWZMJQESA-N 1 0 313.357 3.192 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccncc21 ZINC000319705671 434224051 /nfs/dbraw/zinc/22/40/51/434224051.db2.gz DHNKYXAYFYUAQR-GFCCVEGCSA-N 1 0 312.373 3.039 20 5 DGBDRO Cc1ccc(C(C)(C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000353573118 434237596 /nfs/dbraw/zinc/23/75/96/434237596.db2.gz UJRRJNAKCQWDDZ-UHFFFAOYSA-N 1 0 315.373 3.202 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000516753708 294628776 /nfs/dbraw/zinc/62/87/76/294628776.db2.gz YLMDSNPYCFSUTL-QWHCGFSZSA-N 1 0 319.405 3.480 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000516753709 294628943 /nfs/dbraw/zinc/62/89/43/294628943.db2.gz YLMDSNPYCFSUTL-STQMWFEESA-N 1 0 319.405 3.480 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)C1CCCCC1 ZINC000423261068 434319398 /nfs/dbraw/zinc/31/93/98/434319398.db2.gz IYEAQFZHPVOBJJ-XJKSGUPXSA-N 1 0 305.422 3.023 20 5 DGBDRO CC(=O)c1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000295349167 434320845 /nfs/dbraw/zinc/32/08/45/434320845.db2.gz QLZCZSKBIPSXKM-UHFFFAOYSA-N 1 0 312.369 3.472 20 5 DGBDRO Cc1ccc([C@H](C)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000423266083 434322815 /nfs/dbraw/zinc/32/28/15/434322815.db2.gz RUTPLPYMAVPRNA-BBRMVZONSA-N 1 0 305.422 3.461 20 5 DGBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000450670396 434326707 /nfs/dbraw/zinc/32/67/07/434326707.db2.gz DHHJQWIBHIBFGC-GLJUWKHASA-N 1 0 314.385 3.410 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(CO)CCC1)CCCC2 ZINC000417339668 434363230 /nfs/dbraw/zinc/36/32/30/434363230.db2.gz ITABCBDDOYXOAS-INIZCTEOSA-N 1 0 304.390 3.115 20 5 DGBDRO CC1(C)C[C@@H](NCC[C@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000423355735 434381730 /nfs/dbraw/zinc/38/17/30/434381730.db2.gz GAIUENVVPZFVLB-MLGOLLRUSA-N 1 0 303.406 3.049 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353685494 434335561 /nfs/dbraw/zinc/33/55/61/434335561.db2.gz IFSHEZHLJMDGAM-IVMMDQJWSA-N 1 0 314.389 3.196 20 5 DGBDRO Cc1cc(NCc2ccc(F)cn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340770585 434349344 /nfs/dbraw/zinc/34/93/44/434349344.db2.gz DVULNIFNTVUBFH-UHFFFAOYSA-N 1 0 312.304 3.020 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000417313527 434351612 /nfs/dbraw/zinc/35/16/12/434351612.db2.gz WJMULTVHCPTAFN-KRWDZBQOSA-N 1 0 314.389 3.194 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000390004477 434358289 /nfs/dbraw/zinc/35/82/89/434358289.db2.gz LFFCZDMCELZLDC-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCOC3CCC3)CC2)cc1 ZINC000287760838 434442725 /nfs/dbraw/zinc/44/27/25/434442725.db2.gz MECJIWIGRZESHG-UHFFFAOYSA-N 1 0 320.389 3.007 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@@H]1O ZINC000348559849 434399290 /nfs/dbraw/zinc/39/92/90/434399290.db2.gz UFWLPPHTOLGEFI-CVEARBPZSA-N 1 0 316.357 3.200 20 5 DGBDRO CC[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295646169 434426355 /nfs/dbraw/zinc/42/63/55/434426355.db2.gz GYKVSXSZRIBWEQ-SNVBAGLBSA-N 1 0 307.177 3.104 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000366648158 434475914 /nfs/dbraw/zinc/47/59/14/434475914.db2.gz ACBUKOFRMHDSKA-NWDGAFQWSA-N 1 0 310.781 3.107 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000366648157 434476858 /nfs/dbraw/zinc/47/68/58/434476858.db2.gz ACBUKOFRMHDSKA-NEPJUHHUSA-N 1 0 310.781 3.107 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000360036157 434486978 /nfs/dbraw/zinc/48/69/78/434486978.db2.gz MCKNCPVBTOCJHJ-BMFZPTHFSA-N 1 0 304.390 3.196 20 5 DGBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000438484642 434489282 /nfs/dbraw/zinc/48/92/82/434489282.db2.gz JDZCZONZYISVLE-UHFFFAOYSA-N 1 0 319.405 3.434 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCC3)CC2)c1 ZINC000296054847 434495632 /nfs/dbraw/zinc/49/56/32/434495632.db2.gz QSOUSECRDBFUCJ-UHFFFAOYSA-N 1 0 305.378 3.032 20 5 DGBDRO Cc1cc(NCCC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000402184025 434500221 /nfs/dbraw/zinc/50/02/21/434500221.db2.gz BQXLENLZUCZEOG-ZDUSSCGKSA-N 1 0 315.373 3.102 20 5 DGBDRO CCOc1cccc(NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000296178116 434532615 /nfs/dbraw/zinc/53/26/15/434532615.db2.gz ZXIMEMSSMUGJJM-UHFFFAOYSA-N 1 0 319.405 3.422 20 5 DGBDRO COc1ccc(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000353933512 434536150 /nfs/dbraw/zinc/53/61/50/434536150.db2.gz NKIXSMWOALIFRQ-WBVHZDCISA-N 1 0 322.405 3.239 20 5 DGBDRO CCC[NH+](CCC)CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000524407778 294975080 /nfs/dbraw/zinc/97/50/80/294975080.db2.gz HMVDRIDRZMPDAG-UHFFFAOYSA-N 1 0 321.421 3.145 20 5 DGBDRO [NH3+]CCN(C/C=C/c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000348902708 434549169 /nfs/dbraw/zinc/54/91/69/434549169.db2.gz DIRVAIUDSRBYCA-ONEGZZNKSA-N 1 0 315.348 3.212 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000360211526 434549811 /nfs/dbraw/zinc/54/98/11/434549811.db2.gz DTJRJLFOPHIWPC-RYUDHWBXSA-N 1 0 311.813 3.163 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000348915356 434553352 /nfs/dbraw/zinc/55/33/52/434553352.db2.gz CATZNIVSSDAKJJ-HNNXBMFYSA-N 1 0 308.353 3.125 20 5 DGBDRO [NH3+]CCN(Cc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000348931285 434558406 /nfs/dbraw/zinc/55/84/06/434558406.db2.gz AJCBFSBGLQUWKS-UHFFFAOYSA-N 1 0 305.765 3.214 20 5 DGBDRO COc1ccc(OCC[NH+]2CCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000525275344 295009177 /nfs/dbraw/zinc/00/91/77/295009177.db2.gz VBCABWRCMXFDPA-UHFFFAOYSA-N 1 0 308.378 3.104 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000525409140 295014370 /nfs/dbraw/zinc/01/43/70/295014370.db2.gz PJDZVFIBZOVMMV-JKSUJKDBSA-N 1 0 322.405 3.109 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncccc1F ZINC000525998820 295049340 /nfs/dbraw/zinc/04/93/40/295049340.db2.gz YDADHKNMLWEMET-WQLSENKSSA-N 1 0 301.321 3.322 20 5 DGBDRO C[N@H+](CCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000526934640 295063663 /nfs/dbraw/zinc/06/36/63/295063663.db2.gz ZJCYOEFMTNKPJP-UHFFFAOYSA-N 1 0 323.368 3.327 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000527203250 295083644 /nfs/dbraw/zinc/08/36/44/295083644.db2.gz OSLHQCMWBYBWJY-TXEJJXNPSA-N 1 0 316.361 3.326 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCn1ccnc1 ZINC000527288051 295089349 /nfs/dbraw/zinc/08/93/49/295089349.db2.gz CAFNZQXCTNFDRH-PTNGSMBKSA-N 1 0 314.389 3.265 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000527360656 295094447 /nfs/dbraw/zinc/09/44/47/295094447.db2.gz SBHCJMXBJNIVRO-QGZVFWFLSA-N 1 0 322.368 3.240 20 5 DGBDRO CCn1cncc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418070125 434579418 /nfs/dbraw/zinc/57/94/18/434579418.db2.gz GICSLYDWLWATEC-OAHLLOKOSA-N 1 0 314.389 3.191 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000452124779 434587543 /nfs/dbraw/zinc/58/75/43/434587543.db2.gz WYFBNHPIOHQYSI-GFCCVEGCSA-N 1 0 311.813 3.163 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](C)OC ZINC000349202535 434636165 /nfs/dbraw/zinc/63/61/65/434636165.db2.gz PCEMCTCZPJJHQB-OLZOCXBDSA-N 1 0 312.435 3.480 20 5 DGBDRO CCOc1ccc([C@@H](C)N[C@@H](C)C[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000349210176 434639566 /nfs/dbraw/zinc/63/95/66/434639566.db2.gz SRJQTOSZIUSKPK-UONOGXRCSA-N 1 0 323.437 3.374 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459544519 434599201 /nfs/dbraw/zinc/59/92/01/434599201.db2.gz QOPWPMDJIURTKE-INIZCTEOSA-N 1 0 324.396 3.401 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424322161 434696714 /nfs/dbraw/zinc/69/67/14/434696714.db2.gz HYLDDSZUPLIXGR-XFBWCDHKSA-N 1 0 317.389 3.090 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC1 ZINC000349245216 434649472 /nfs/dbraw/zinc/64/94/72/434649472.db2.gz HDFWFQOFEQINNO-CQSZACIVSA-N 1 0 323.462 3.151 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459681457 434662736 /nfs/dbraw/zinc/66/27/36/434662736.db2.gz XDLOYPMBSIIQLP-GJZGRUSLSA-N 1 0 314.389 3.096 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000360668659 434663424 /nfs/dbraw/zinc/66/34/24/434663424.db2.gz IUHJKTWSSFNIMM-SCRDCRAPSA-N 1 0 306.410 3.077 20 5 DGBDRO C[C@H]1C[C@@H](c2ccccc2F)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000360851966 434712315 /nfs/dbraw/zinc/71/23/15/434712315.db2.gz SZHOVQRRKLBKIN-FZMZJTMJSA-N 1 0 318.352 3.051 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)Cc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000360862470 434712785 /nfs/dbraw/zinc/71/27/85/434712785.db2.gz VWDGWRPYRYOCHT-MLGOLLRUSA-N 1 0 300.362 3.057 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000360961843 434744047 /nfs/dbraw/zinc/74/40/47/434744047.db2.gz VLWFIFQYJDAJBU-ZDUSSCGKSA-N 1 0 323.441 3.044 20 5 DGBDRO C[C@@H]([N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000411321842 434760909 /nfs/dbraw/zinc/76/09/09/434760909.db2.gz CUHMUMRMPSVJEM-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccncn1 ZINC000453156488 434819636 /nfs/dbraw/zinc/81/96/36/434819636.db2.gz WGFDOSOURHCIDH-ZDUSSCGKSA-N 1 0 300.362 3.058 20 5 DGBDRO COC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000453228283 434835165 /nfs/dbraw/zinc/83/51/65/434835165.db2.gz QBVOGSPAXUWQFB-MRXNPFEDSA-N 1 0 318.417 3.465 20 5 DGBDRO CC(C)(CO)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453278905 434848174 /nfs/dbraw/zinc/84/81/74/434848174.db2.gz PZPGMJGIRMUWSW-OAHLLOKOSA-N 1 0 306.406 3.315 20 5 DGBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000411968922 434849080 /nfs/dbraw/zinc/84/90/80/434849080.db2.gz KPSLKCVIEYCEMW-PSLIRLAXSA-N 1 0 314.332 3.166 20 5 DGBDRO Cc1cc(NC2CC[NH+](C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461738053 434885848 /nfs/dbraw/zinc/88/58/48/434885848.db2.gz YIKCPYBXAGKRIA-UHFFFAOYSA-N 1 0 317.311 3.428 20 5 DGBDRO Cc1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c(F)cc1[N+](=O)[O-] ZINC000461950181 434893219 /nfs/dbraw/zinc/89/32/19/434893219.db2.gz TVJZQHOCYVARMF-ZDUSSCGKSA-N 1 0 307.369 3.471 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1C ZINC000462888870 434935747 /nfs/dbraw/zinc/93/57/47/434935747.db2.gz HUVQBYABXWACND-ONGXEEELSA-N 1 0 315.320 3.091 20 5 DGBDRO COCC1(C)CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492258175 434944316 /nfs/dbraw/zinc/94/43/16/434944316.db2.gz MFTJVGNIGUUOCH-UHFFFAOYSA-N 1 0 312.797 3.497 20 5 DGBDRO CCOc1cc(NCC23CCC[NH+]2CCC3)ccc1[N+](=O)[O-] ZINC000574168855 434957270 /nfs/dbraw/zinc/95/72/70/434957270.db2.gz KVWSLEMBYXBVIO-UHFFFAOYSA-N 1 0 305.378 3.034 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000556842653 435031463 /nfs/dbraw/zinc/03/14/63/435031463.db2.gz IKPVJVGBDNHWPS-CYBMUJFWSA-N 1 0 314.389 3.285 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC000574598410 434990294 /nfs/dbraw/zinc/99/02/94/434990294.db2.gz DSFJFNSTEOKNTN-UHFFFAOYSA-N 1 0 322.368 3.317 20 5 DGBDRO CO[C@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000558892867 435115057 /nfs/dbraw/zinc/11/50/57/435115057.db2.gz LVZHCZGNAXKOTN-GOSISDBHSA-N 1 0 314.385 3.457 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000531956864 435128607 /nfs/dbraw/zinc/12/86/07/435128607.db2.gz NORPLVBVRLWTDO-CABCVRRESA-N 1 0 305.422 3.286 20 5 DGBDRO C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000579375326 435151708 /nfs/dbraw/zinc/15/17/08/435151708.db2.gz FJPGRLYUZMFAGS-GJZGRUSLSA-N 1 0 305.422 3.366 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000532490836 435170620 /nfs/dbraw/zinc/17/06/20/435170620.db2.gz VTADPLJBHBLFLE-GFCCVEGCSA-N 1 0 310.394 3.349 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000579669288 435172432 /nfs/dbraw/zinc/17/24/32/435172432.db2.gz UFLSGZSYCRHHCB-IJEWVQPXSA-N 1 0 303.406 3.133 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNc1ccccn1 ZINC000532517047 435174003 /nfs/dbraw/zinc/17/40/03/435174003.db2.gz UGSDALYKPJIONC-ZDUSSCGKSA-N 1 0 300.362 3.061 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CCO)CCCC1 ZINC000532531763 435174524 /nfs/dbraw/zinc/17/45/24/435174524.db2.gz CQMQSSNGNFMSII-AWEZNQCLSA-N 1 0 306.406 3.497 20 5 DGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000532583250 435177567 /nfs/dbraw/zinc/17/75/67/435177567.db2.gz LYBOBDCZBRKFHG-UHFFFAOYSA-N 1 0 311.769 3.061 20 5 DGBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532584675 435179234 /nfs/dbraw/zinc/17/92/34/435179234.db2.gz RIJGLUCFGAOTFQ-SWLSCSKDSA-N 1 0 319.405 3.094 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000560582320 435182437 /nfs/dbraw/zinc/18/24/37/435182437.db2.gz OWTWHESHSGCYAL-CABCVRRESA-N 1 0 305.422 3.428 20 5 DGBDRO COc1cccc(N[C@@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000475725372 435210080 /nfs/dbraw/zinc/21/00/80/435210080.db2.gz YCXGRNQWYAJBQU-ZDUSSCGKSA-N 1 0 307.394 3.280 20 5 DGBDRO CN(C)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000583851895 435248602 /nfs/dbraw/zinc/24/86/02/435248602.db2.gz PGIFDHZRDSDQSX-MRXNPFEDSA-N 1 0 303.406 3.046 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000583924237 435256824 /nfs/dbraw/zinc/25/68/24/435256824.db2.gz LTOAXVNEVSNIQY-TUPIDYKKSA-N 1 0 305.422 3.318 20 5 DGBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCCCC1 ZINC000534134222 435267913 /nfs/dbraw/zinc/26/79/13/435267913.db2.gz SXZCSGMZLVMCKF-UHFFFAOYSA-N 1 0 321.421 3.049 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2CC2CCCCC2)n1 ZINC000478436424 435298975 /nfs/dbraw/zinc/29/89/75/435298975.db2.gz NSCQTNFJZXZUJD-OAHLLOKOSA-N 1 0 306.410 3.226 20 5 DGBDRO COC(C)(C)C[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534843853 435300190 /nfs/dbraw/zinc/30/01/90/435300190.db2.gz YRWZEHHFVQHBMZ-UHFFFAOYSA-N 1 0 319.361 3.107 20 5 DGBDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478484441 435301245 /nfs/dbraw/zinc/30/12/45/435301245.db2.gz VRBVHHVCJIVMPW-KRWDZBQOSA-N 1 0 314.385 3.251 20 5 DGBDRO CCC(=O)c1ccc(N[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000479939602 435359340 /nfs/dbraw/zinc/35/93/40/435359340.db2.gz MBHNVRCYUZMBKR-CYBMUJFWSA-N 1 0 319.405 3.474 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000481182588 435413370 /nfs/dbraw/zinc/41/33/70/435413370.db2.gz YIAUZVVQFZJRTK-UMVBOHGHSA-N 1 0 322.405 3.397 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000481182589 435413482 /nfs/dbraw/zinc/41/34/82/435413482.db2.gz YIAUZVVQFZJRTK-VNHYZAJKSA-N 1 0 322.405 3.397 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](C)CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000480446832 435380296 /nfs/dbraw/zinc/38/02/96/435380296.db2.gz QYOVEWWWRJGLDL-ZDUSSCGKSA-N 1 0 306.406 3.446 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1O ZINC000480752474 435392076 /nfs/dbraw/zinc/39/20/76/435392076.db2.gz YEYHLHOQLSXXDL-UMVBOHGHSA-N 1 0 324.446 3.359 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000514827401 435440702 /nfs/dbraw/zinc/44/07/02/435440702.db2.gz WZTBYQZBPWFSNE-JKIFEVAISA-N 1 0 317.433 3.292 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000481752747 435441714 /nfs/dbraw/zinc/44/17/14/435441714.db2.gz WLPUEWJVFLYHQQ-IRXDYDNUSA-N 1 0 322.405 3.157 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000514827502 435441946 /nfs/dbraw/zinc/44/19/46/435441946.db2.gz WZTBYQZBPWFSNE-KEYYUXOJSA-N 1 0 317.433 3.292 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000483097827 435492170 /nfs/dbraw/zinc/49/21/70/435492170.db2.gz AEMGVELYVMPDAM-AWEZNQCLSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOC1CCOCC1 ZINC000540182575 435592110 /nfs/dbraw/zinc/59/21/10/435592110.db2.gz VOWZMXBXLGWNDZ-CQSZACIVSA-N 1 0 322.405 3.140 20 5 DGBDRO Cc1ccc(C[N@H+](CCO)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000485722419 435578389 /nfs/dbraw/zinc/57/83/89/435578389.db2.gz DAKMCPJGAWYLTE-UHFFFAOYSA-N 1 0 306.406 3.278 20 5 DGBDRO CC(C)[N@H+](C)CCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000517948202 435619170 /nfs/dbraw/zinc/61/91/70/435619170.db2.gz RDFRWBAFHOCKJI-CYBMUJFWSA-N 1 0 319.327 3.128 20 5 DGBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1C ZINC000488102745 435633761 /nfs/dbraw/zinc/63/37/61/435633761.db2.gz HQCJHURFAGYWCK-RHSMWYFYSA-N 1 0 306.406 3.274 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+]([C@H]3CCCC[C@@H]3O)C2)cc1 ZINC000570670068 435640205 /nfs/dbraw/zinc/64/02/05/435640205.db2.gz DTGWJVHCJIPKHQ-PVAVHDDUSA-N 1 0 304.390 3.078 20 5 DGBDRO Cc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488734147 435643138 /nfs/dbraw/zinc/64/31/38/435643138.db2.gz MLGOMBMFVHIERH-LALPHHSUSA-N 1 0 321.396 3.209 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000519179998 435672828 /nfs/dbraw/zinc/67/28/28/435672828.db2.gz FVRNVLHIORIQEX-ABAIWWIYSA-N 1 0 300.362 3.149 20 5 DGBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000548488366 435698157 /nfs/dbraw/zinc/69/81/57/435698157.db2.gz SGBLRLQCAFIGBR-DOMZBBRYSA-N 1 0 319.405 3.142 20 5 DGBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000548488367 435699287 /nfs/dbraw/zinc/69/92/87/435699287.db2.gz SGBLRLQCAFIGBR-IUODEOHRSA-N 1 0 319.405 3.142 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCC(C)CC1 ZINC000571536369 435714544 /nfs/dbraw/zinc/71/45/44/435714544.db2.gz FXQHLJNWSCOADV-PBHICJAKSA-N 1 0 317.433 3.292 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H](C)OC ZINC000519861118 435715228 /nfs/dbraw/zinc/71/52/28/435715228.db2.gz UZLGQWYDJLRIHN-UPJWGTAASA-N 1 0 312.435 3.479 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CCO2)CC1 ZINC000548807025 435720557 /nfs/dbraw/zinc/72/05/57/435720557.db2.gz PEKHHNDNBTVPOG-SDNWHVSQSA-N 1 0 302.374 3.253 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000550896191 435813677 /nfs/dbraw/zinc/81/36/77/435813677.db2.gz XISIAXARVKTHSQ-XJKSGUPXSA-N 1 0 306.406 3.434 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@]1(C)CCCO1 ZINC000550937735 435816394 /nfs/dbraw/zinc/81/63/94/435816394.db2.gz LQKSGUJMHBWCFG-PBHICJAKSA-N 1 0 306.406 3.465 20 5 DGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000536859055 313788521 /nfs/dbraw/zinc/78/85/21/313788521.db2.gz QFYGKOHPNHMOQN-TZMCWYRMSA-N 1 0 316.405 3.395 20 5 DGBDRO CN1Cc2ccccc2[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000537319960 313808110 /nfs/dbraw/zinc/80/81/10/313808110.db2.gz WZDNCNFQUMHJEH-AHKGRUIUSA-N 1 0 323.396 3.384 20 5 DGBDRO COCC1([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000538550413 313867996 /nfs/dbraw/zinc/86/79/96/313867996.db2.gz YXRHCWNAENIOBJ-HIFRSBDPSA-N 1 0 304.390 3.075 20 5 DGBDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000540599450 313968368 /nfs/dbraw/zinc/96/83/68/313968368.db2.gz DXEHGZRKEKZZOP-KRWDZBQOSA-N 1 0 318.373 3.496 20 5 DGBDRO COC(=O)C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000542533994 314083438 /nfs/dbraw/zinc/08/34/38/314083438.db2.gz RWEIWIKCLUZLCA-HNNXBMFYSA-N 1 0 320.389 3.196 20 5 DGBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000542977363 314109185 /nfs/dbraw/zinc/10/91/85/314109185.db2.gz FRULKGSHWKNCMR-ILXRZTDVSA-N 1 0 304.390 3.484 20 5 DGBDRO COC[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000543453412 314135785 /nfs/dbraw/zinc/13/57/85/314135785.db2.gz MGOHRXVLEHFRCF-HNNXBMFYSA-N 1 0 319.361 3.010 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000550275089 314533705 /nfs/dbraw/zinc/53/37/05/314533705.db2.gz QTFWSJCHRAQJGV-BHMZLHOFSA-N 1 0 318.417 3.386 20 5 DGBDRO COc1cc(COc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])cc1F ZINC000562309987 315008562 /nfs/dbraw/zinc/00/85/62/315008562.db2.gz IYLFBUHGMANASG-UHFFFAOYSA-N 1 0 306.293 3.333 20 5 DGBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CS1 ZINC000562330109 315010177 /nfs/dbraw/zinc/01/01/77/315010177.db2.gz PZNBWSDXCJTJNY-SWLSCSKDSA-N 1 0 324.446 3.483 20 5 DGBDRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562998172 315068548 /nfs/dbraw/zinc/06/85/48/315068548.db2.gz BCRTVFPICHNQFJ-LSDHHAIUSA-N 1 0 322.405 3.059 20 5 DGBDRO CCN1CCCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418424 315113118 /nfs/dbraw/zinc/11/31/18/315113118.db2.gz PEFCJDOTQNVZTQ-CJNGLKHVSA-N 1 0 303.406 3.046 20 5 DGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000563671424 315130628 /nfs/dbraw/zinc/13/06/28/315130628.db2.gz WYCBITNQYURLMO-UONOGXRCSA-N 1 0 321.421 3.106 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000564326546 315169760 /nfs/dbraw/zinc/16/97/60/315169760.db2.gz JMASEQRFEIPSSS-NVXWUHKLSA-N 1 0 304.390 3.294 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H](CO)C2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000564428578 315175801 /nfs/dbraw/zinc/17/58/01/315175801.db2.gz WXIVICPEWMNLBC-DLBZAZTESA-N 1 0 318.417 3.458 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000564986565 315217420 /nfs/dbraw/zinc/21/74/20/315217420.db2.gz PFZBZPZODJTJBS-JKSUJKDBSA-N 1 0 304.390 3.294 20 5 DGBDRO Cc1nccn1CCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217516 315242898 /nfs/dbraw/zinc/24/28/98/315242898.db2.gz IICKLVJFPLHJKU-MRXNPFEDSA-N 1 0 314.389 3.157 20 5 DGBDRO CC[C@H]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566968608 315386935 /nfs/dbraw/zinc/38/69/35/315386935.db2.gz BEUDCNLBIYBXDT-UONOGXRCSA-N 1 0 319.405 3.339 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC1(C)C ZINC000568780523 315536618 /nfs/dbraw/zinc/53/66/18/315536618.db2.gz XPMJYAASCVNTMV-CQSZACIVSA-N 1 0 305.378 3.010 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOCC1CCCC1 ZINC000572303113 315782934 /nfs/dbraw/zinc/78/29/34/315782934.db2.gz ZEBGYLMDXZOZAF-INIZCTEOSA-N 1 0 304.390 3.379 20 5 DGBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000576006005 316085544 /nfs/dbraw/zinc/08/55/44/316085544.db2.gz MHUAJXQPQYMHDM-NSHDSACASA-N 1 0 317.311 3.144 20 5 DGBDRO CCC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000577338364 316225018 /nfs/dbraw/zinc/22/50/18/316225018.db2.gz VCSRCZPBQHDECK-KGLIPLIRSA-N 1 0 306.410 3.445 20 5 DGBDRO CC[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000577457161 316236904 /nfs/dbraw/zinc/23/69/04/316236904.db2.gz DIFOVFVMBOFLQM-MAUKXSAKSA-N 1 0 317.433 3.436 20 5 DGBDRO C[C@H]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000577481689 316240006 /nfs/dbraw/zinc/24/00/06/316240006.db2.gz DGKICFHRHWENIZ-UONOGXRCSA-N 1 0 319.405 3.339 20 5 DGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577648807 316257134 /nfs/dbraw/zinc/25/71/34/316257134.db2.gz KHUGSMLHXVSVRQ-WBMJQRKESA-N 1 0 314.389 3.013 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577648804 316257263 /nfs/dbraw/zinc/25/72/63/316257263.db2.gz KHUGSMLHXVSVRQ-BLLLJJGKSA-N 1 0 314.389 3.013 20 5 DGBDRO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180450752 323229591 /nfs/dbraw/zinc/22/95/91/323229591.db2.gz HSRGIDYYBLWGKR-LBPRGKRZSA-N 1 0 314.341 3.232 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000181527981 323257591 /nfs/dbraw/zinc/25/75/91/323257591.db2.gz AJMVHEFUJHPTFG-GOSISDBHSA-N 1 0 312.369 3.038 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)C1CCCCC1 ZINC000182935252 323317059 /nfs/dbraw/zinc/31/70/59/323317059.db2.gz ISMLBBZFOJXUHS-ZDUSSCGKSA-N 1 0 319.405 3.400 20 5 DGBDRO CCC(CC)(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000183878630 323348857 /nfs/dbraw/zinc/34/88/57/323348857.db2.gz GMPAWSJPUXIMTR-GFCCVEGCSA-N 1 0 308.378 3.225 20 5 DGBDRO CCC(CC)(C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000183876894 323348876 /nfs/dbraw/zinc/34/88/76/323348876.db2.gz OXEAGOZGHKDKMF-LBPRGKRZSA-N 1 0 308.378 3.225 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000192800707 323458709 /nfs/dbraw/zinc/45/87/09/323458709.db2.gz SUKXBTYDZFUUOJ-IUODEOHRSA-N 1 0 319.405 3.400 20 5 DGBDRO C[C@@H](CCC1CC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578642678 323763604 /nfs/dbraw/zinc/76/36/04/323763604.db2.gz XKUPBBINCZTRQK-LBPRGKRZSA-N 1 0 305.378 3.092 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000579213676 323838246 /nfs/dbraw/zinc/83/82/46/323838246.db2.gz QNKSAWWVTLTSBV-GFCCVEGCSA-N 1 0 309.797 3.074 20 5 DGBDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000579363812 323858269 /nfs/dbraw/zinc/85/82/69/323858269.db2.gz HQOHAEDDYMFIAH-LBPRGKRZSA-N 1 0 319.430 3.363 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000581172228 324082262 /nfs/dbraw/zinc/08/22/62/324082262.db2.gz NPPUXRCRIDWLGX-GFCCVEGCSA-N 1 0 312.373 3.039 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000581558223 324130842 /nfs/dbraw/zinc/13/08/42/324130842.db2.gz KIUMIFACZXVJSZ-DOMZBBRYSA-N 1 0 302.374 3.273 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c(F)c1 ZINC000582358462 324221189 /nfs/dbraw/zinc/22/11/89/324221189.db2.gz XVQMPXGELLFPQT-ZDUSSCGKSA-N 1 0 301.321 3.118 20 5 DGBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000515302004 337985123 /nfs/dbraw/zinc/98/51/23/337985123.db2.gz GQINJPKJXZNUCF-OLZOCXBDSA-N 1 0 307.397 3.244 20 5 DGBDRO C[C@@H](C[NH3+])N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000435370560 533787217 /nfs/dbraw/zinc/78/72/17/533787217.db2.gz JJQAGVWNGRXKII-JTQLQIEISA-N 1 0 323.780 3.287 20 5 DGBDRO Cc1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000415098992 533935273 /nfs/dbraw/zinc/93/52/73/533935273.db2.gz XEMVEZQIHNSUCA-GOSISDBHSA-N 1 0 311.385 3.050 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000292877711 533935591 /nfs/dbraw/zinc/93/55/91/533935591.db2.gz XFVJDEPZTOATOF-INIZCTEOSA-N 1 0 304.390 3.152 20 5 DGBDRO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000429368312 533948275 /nfs/dbraw/zinc/94/82/75/533948275.db2.gz XWQORSDRWDFUGO-ZDUSSCGKSA-N 1 0 321.396 3.040 20 5 DGBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000413244939 534031175 /nfs/dbraw/zinc/03/11/75/534031175.db2.gz NQNHMYDMROGJNZ-RYUDHWBXSA-N 1 0 322.384 3.194 20 5 DGBDRO Cc1cc(NC[C@@H]2C[C@H](C)O[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413539557 534033732 /nfs/dbraw/zinc/03/37/32/534033732.db2.gz UHAGFGOMBHDNPE-AVGNSLFASA-N 1 0 315.373 3.099 20 5 DGBDRO Cc1cc(NC[C@@H]2C[C@@H](C)O[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413539554 534034352 /nfs/dbraw/zinc/03/43/52/534034352.db2.gz UHAGFGOMBHDNPE-AGIUHOORSA-N 1 0 315.373 3.099 20 5 DGBDRO CC(C)(C)C1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000459498302 534553009 /nfs/dbraw/zinc/55/30/09/534553009.db2.gz AHZNUBDKUGMGHF-UHFFFAOYSA-N 1 0 302.378 3.385 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[NH2+]CC3)s2)cc1 ZINC000435389628 534881237 /nfs/dbraw/zinc/88/12/37/534881237.db2.gz NIKWFFGISQTGBU-UHFFFAOYSA-N 1 0 317.414 3.119 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc21 ZINC000322585926 534882138 /nfs/dbraw/zinc/88/21/38/534882138.db2.gz ITQOFOYGHXCUDL-CHWSQXEVSA-N 1 0 312.373 3.182 20 5 DGBDRO CC(C)(CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000304288608 527059640 /nfs/dbraw/zinc/05/96/40/527059640.db2.gz GDAHLOQYWRCHGG-UHFFFAOYSA-N 1 0 304.346 3.105 20 5 DGBDRO CC(C)(CO)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000294836099 527204822 /nfs/dbraw/zinc/20/48/22/527204822.db2.gz QOFLBFBGXREBPC-GDBMZVCRSA-N 1 0 320.433 3.304 20 5 DGBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000299227394 527784034 /nfs/dbraw/zinc/78/40/34/527784034.db2.gz CCYQQYYTFHMBQV-CQSZACIVSA-N 1 0 316.361 3.265 20 5 DGBDRO CCC[N@H+](CC)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000318679061 527979011 /nfs/dbraw/zinc/97/90/11/527979011.db2.gz XGBYFNCLDCVRFW-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO CC1CC[NH+](CCCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302491327 528241461 /nfs/dbraw/zinc/24/14/61/528241461.db2.gz ZAJRQQXDAZMGET-UHFFFAOYSA-N 1 0 318.421 3.097 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccco1 ZINC000413087060 528282632 /nfs/dbraw/zinc/28/26/32/528282632.db2.gz RFKFUUFPAGEOOO-CYBMUJFWSA-N 1 0 322.340 3.217 20 5 DGBDRO CCC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444635496 528375084 /nfs/dbraw/zinc/37/50/84/528375084.db2.gz DGFZEVJEBFXZDI-LBPRGKRZSA-N 1 0 302.378 3.483 20 5 DGBDRO CC(C)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000444774480 528669650 /nfs/dbraw/zinc/66/96/50/528669650.db2.gz WNDHIAXAWKBLRV-UONOGXRCSA-N 1 0 319.405 3.290 20 5 DGBDRO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000449500212 535632210 /nfs/dbraw/zinc/63/22/10/535632210.db2.gz MQHLDXBXKQMQQW-ABAIWWIYSA-N 1 0 312.797 3.495 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470175709 535677823 /nfs/dbraw/zinc/67/78/23/535677823.db2.gz RREJSTYIDIJCBV-RXBGNRNISA-N 1 0 317.433 3.414 20 5 DGBDRO COC[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470171632 536753284 /nfs/dbraw/zinc/75/32/84/536753284.db2.gz MQTPJASTMXHSBC-IHWMJMDHSA-N 1 0 304.390 3.357 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000090221492 545825258 /nfs/dbraw/zinc/82/52/58/545825258.db2.gz BVGIAGXYQGRSPF-VERVWZFWSA-N 1 0 318.398 3.183 20 5 DGBDRO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)C ZINC000734149581 574652012 /nfs/dbraw/zinc/65/20/12/574652012.db2.gz NYCJQXASWFZRLH-UHFFFAOYSA-N 1 0 313.785 3.165 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735494179 574704283 /nfs/dbraw/zinc/70/42/83/574704283.db2.gz VOQAYUUWDCJAHB-CYBMUJFWSA-N 1 0 311.813 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCc4ccccc4CC3)c2c1 ZINC000738225929 574861746 /nfs/dbraw/zinc/86/17/46/574861746.db2.gz SAFXGWRBXKRHSI-UHFFFAOYSA-N 1 0 322.368 3.003 20 5 DGBDRO Cc1c(COC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000741016966 574948945 /nfs/dbraw/zinc/94/89/45/574948945.db2.gz KTMNTUCJTDJXFH-MBNYWOFBSA-N 1 0 320.389 3.208 20 5 DGBDRO CCCC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1 ZINC000742144845 574982211 /nfs/dbraw/zinc/98/22/11/574982211.db2.gz HNXOSXPQPDUMTF-UHFFFAOYSA-N 1 0 315.377 3.075 20 5 DGBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000742426612 574999212 /nfs/dbraw/zinc/99/92/12/574999212.db2.gz YZEQWESHYPWJGX-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000746045546 575428135 /nfs/dbraw/zinc/42/81/35/575428135.db2.gz NWXXUAJUNSHSLU-HWPZZCPQSA-N 1 0 322.311 3.257 20 5 DGBDRO CC(C)CN(Cc1ccccc1F)Cn1nccc1[N+](=O)[O-] ZINC000746061915 575429617 /nfs/dbraw/zinc/42/96/17/575429617.db2.gz ODVXIIADLAMQHV-UHFFFAOYSA-N 1 0 306.341 3.046 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746665193 575467737 /nfs/dbraw/zinc/46/77/37/575467737.db2.gz ABRMUJVHWVEWPV-CQSZACIVSA-N 1 0 311.813 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000746666656 575467992 /nfs/dbraw/zinc/46/79/92/575467992.db2.gz SMYJDGSTSOMRNS-HNNXBMFYSA-N 1 0 323.824 3.308 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000747212347 575505873 /nfs/dbraw/zinc/50/58/73/575505873.db2.gz NWBLFURSFNCNBY-UHFFFAOYSA-N 1 0 321.421 3.052 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000749559009 575665078 /nfs/dbraw/zinc/66/50/78/575665078.db2.gz KPGHKJPTFATLHE-STQMWFEESA-N 1 0 324.808 3.497 20 5 DGBDRO CSc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749688306 575672598 /nfs/dbraw/zinc/67/25/98/575672598.db2.gz LMMKMHJCJIROGU-MRXNPFEDSA-N 1 0 318.398 3.140 20 5 DGBDRO Cc1nn(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749955906 575692194 /nfs/dbraw/zinc/69/21/94/575692194.db2.gz UYVNXNKZNIJVAC-RYUDHWBXSA-N 1 0 317.393 3.116 20 5 DGBDRO CC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037540 575699073 /nfs/dbraw/zinc/69/90/73/575699073.db2.gz NQCRJBYPXAZQOB-GOSISDBHSA-N 1 0 314.385 3.459 20 5 DGBDRO CCC1(C)CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000725777585 575912018 /nfs/dbraw/zinc/91/20/18/575912018.db2.gz GGMXWKZZZJSSQQ-UHFFFAOYSA-N 1 0 302.378 3.414 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000205260296 575923683 /nfs/dbraw/zinc/92/36/83/575923683.db2.gz HRBGNMKIDQBPLH-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000725847447 575929281 /nfs/dbraw/zinc/92/92/81/575929281.db2.gz LWURZPYWMZGILT-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO CC(C)(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000917525191 620671581 /nfs/dbraw/zinc/67/15/81/620671581.db2.gz MHPMJOKRWMQKAL-UHFFFAOYSA-N 1 0 309.385 3.292 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000853246152 620681900 /nfs/dbraw/zinc/68/19/00/620681900.db2.gz SSEZWTAHZPGXPE-LBPRGKRZSA-N 1 0 313.348 3.499 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+](C2CCC2)CC1 ZINC000853330189 620687072 /nfs/dbraw/zinc/68/70/72/620687072.db2.gz VPFLUMKKEBEFPO-UHFFFAOYSA-N 1 0 311.332 3.207 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000853763504 620735063 /nfs/dbraw/zinc/73/50/63/620735063.db2.gz LISATHOQWQWRIV-SNVBAGLBSA-N 1 0 311.357 3.027 20 5 DGBDRO CCCN(CC[NH+]1CCCC1)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000804808591 617673690 /nfs/dbraw/zinc/67/36/90/617673690.db2.gz JVZTWAIVTMODDX-UHFFFAOYSA-N 1 0 319.405 3.110 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000919721973 620763406 /nfs/dbraw/zinc/76/34/06/620763406.db2.gz IFBCTGXJOUFJFJ-VBQJREDUSA-N 1 0 303.406 3.436 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000923773551 618033110 /nfs/dbraw/zinc/03/31/10/618033110.db2.gz MMHWWCCYUKFINC-CYBMUJFWSA-N 1 0 302.334 3.190 20 5 DGBDRO Cc1n[nH]cc1CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892535910 618102068 /nfs/dbraw/zinc/10/20/68/618102068.db2.gz UCXSXFLLARXPNC-UHFFFAOYSA-N 1 0 308.769 3.002 20 5 DGBDRO Cc1nn(C(C)C)c(C)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000893068000 618412018 /nfs/dbraw/zinc/41/20/18/618412018.db2.gz OEWAMPLWFPXKOG-UHFFFAOYSA-N 1 0 316.405 3.321 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1C[C@@]1(C)Br)c1ccc([N+](=O)[O-])cc1 ZINC000894657770 618414465 /nfs/dbraw/zinc/41/44/65/618414465.db2.gz OQQQDSKWIRHCOQ-UFGOTCBOSA-N 1 0 313.195 3.419 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)c1ccc([N+](=O)[O-])cc1 ZINC000894657771 618414485 /nfs/dbraw/zinc/41/44/85/618414485.db2.gz OQQQDSKWIRHCOQ-XHVZSJERSA-N 1 0 313.195 3.419 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(CF)CCOCC1 ZINC000894716286 618431055 /nfs/dbraw/zinc/43/10/55/618431055.db2.gz XKZHBDPQQGQJMZ-UHFFFAOYSA-N 1 0 316.760 3.104 20 5 DGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnn(C2CCC2)c1 ZINC000925639242 618517581 /nfs/dbraw/zinc/51/75/81/618517581.db2.gz AMWPQFWJPJVZGD-CYBMUJFWSA-N 1 0 314.389 3.410 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000893615841 618617252 /nfs/dbraw/zinc/61/72/52/618617252.db2.gz BLOKMNJHLWBPNO-HIFRSBDPSA-N 1 0 310.781 3.295 20 5 DGBDRO CC1([NH+]2CCCC2)CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000895524664 618795810 /nfs/dbraw/zinc/79/58/10/618795810.db2.gz WIVGNMIJGBOBAV-UHFFFAOYSA-N 1 0 322.384 3.338 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000895616192 618807222 /nfs/dbraw/zinc/80/72/22/618807222.db2.gz JAWRDKYTRGFWMS-GFCCVEGCSA-N 1 0 306.362 3.145 20 5 DGBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCOC1 ZINC000895664212 618814146 /nfs/dbraw/zinc/81/41/46/618814146.db2.gz RATFQQJBPMIUGL-DGCLKSJQSA-N 1 0 319.361 3.031 20 5 DGBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000895662549 618814381 /nfs/dbraw/zinc/81/43/81/618814381.db2.gz RFYNJAWSFXULLI-QGZVFWFLSA-N 1 0 314.385 3.239 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895846939 618841087 /nfs/dbraw/zinc/84/10/87/618841087.db2.gz SCSOZBHIXAKMMZ-WZNJSSNCSA-N 1 0 302.374 3.109 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@]34C[C@H]3CCCC4)nc2c1 ZINC000896266895 618895104 /nfs/dbraw/zinc/89/51/04/618895104.db2.gz DVVZZQJPTXUMJI-BZNIZROVSA-N 1 0 301.346 3.406 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccn(C(F)F)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000896509569 618919194 /nfs/dbraw/zinc/91/91/94/618919194.db2.gz GRHBXIKIWWRVDG-SNVBAGLBSA-N 1 0 323.299 3.002 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cnn(C)c1 ZINC000897081245 619012349 /nfs/dbraw/zinc/01/23/49/619012349.db2.gz MDTOGJONFUASCC-OAHLLOKOSA-N 1 0 322.796 3.469 20 5 DGBDRO CO[C@H]1CC[C@@H]1N(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000897147387 619022979 /nfs/dbraw/zinc/02/29/79/619022979.db2.gz LMWDGJJVALOCAC-HOCLYGCPSA-N 1 0 301.346 3.065 20 5 DGBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000909612565 619061176 /nfs/dbraw/zinc/06/11/76/619061176.db2.gz AZGPMWSTLGCOBR-UHFFFAOYSA-N 1 0 319.386 3.279 20 5 DGBDRO Cc1cc(F)ncc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897458976 619129932 /nfs/dbraw/zinc/12/99/32/619129932.db2.gz GZVZZQHDGIEQGY-LBPRGKRZSA-N 1 0 303.337 3.331 20 5 DGBDRO C[C@H](C[NH2+]Cc1cn(C)nc1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897459141 619130002 /nfs/dbraw/zinc/13/00/02/619130002.db2.gz IMMNDRQTPYPVTF-GFCCVEGCSA-N 1 0 314.389 3.099 20 5 DGBDRO CC[C@@H]1C[C@H](C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000897466396 619130624 /nfs/dbraw/zinc/13/06/24/619130624.db2.gz SZLNVUARPLQFKL-RBSFLKMASA-N 1 0 306.406 3.493 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000897463143 619130690 /nfs/dbraw/zinc/13/06/90/619130690.db2.gz BPCAJHOUULUOQV-YUDUHTQSSA-N 1 0 324.446 3.197 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000897504741 619140219 /nfs/dbraw/zinc/14/02/19/619140219.db2.gz YXEFBMVRBMQYGW-PVUWLOKVSA-N 1 0 302.374 3.129 20 5 DGBDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000897525412 619148443 /nfs/dbraw/zinc/14/84/43/619148443.db2.gz NCPVCQLVDOPHAE-CYBMUJFWSA-N 1 0 320.311 3.168 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897531164 619150212 /nfs/dbraw/zinc/15/02/12/619150212.db2.gz ZWFKMECMILMRQX-UHFFFAOYSA-N 1 0 310.781 3.033 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897533866 619150394 /nfs/dbraw/zinc/15/03/94/619150394.db2.gz YROGHJAMCPHMNY-IAQYHMDHSA-N 1 0 312.797 3.279 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897533631 619150821 /nfs/dbraw/zinc/15/08/21/619150821.db2.gz IVHWYFBXSNZVHL-YOEHRIQHSA-N 1 0 306.406 3.242 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCSC(C)(C)C2)cc1[N+](=O)[O-] ZINC000897796920 619183465 /nfs/dbraw/zinc/18/34/65/619183465.db2.gz AOSLBYSMOPQOIH-GFCCVEGCSA-N 1 0 310.419 3.367 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CCO)C1CCCC1 ZINC000897882580 619191135 /nfs/dbraw/zinc/19/11/35/619191135.db2.gz NBNPWUYBAQOBSC-CVEARBPZSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)C2CCCC2)cc1Cl ZINC000897885887 619191998 /nfs/dbraw/zinc/19/19/98/619191998.db2.gz RUGSORAQAQUSBH-AWEZNQCLSA-N 1 0 312.797 3.279 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)C2CCCC2)cc1Cl ZINC000897885888 619192023 /nfs/dbraw/zinc/19/20/23/619192023.db2.gz RUGSORAQAQUSBH-CQSZACIVSA-N 1 0 312.797 3.279 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897982248 619203076 /nfs/dbraw/zinc/20/30/76/619203076.db2.gz ZNPNXYSBDYMPGF-UHFFFAOYSA-N 1 0 323.824 3.355 20 5 DGBDRO Cc1nc2ccccn2c1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000898271537 619230769 /nfs/dbraw/zinc/23/07/69/619230769.db2.gz CFBGLBCCVIPMOY-UHFFFAOYSA-N 1 0 324.384 3.458 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927065920 619261698 /nfs/dbraw/zinc/26/16/98/619261698.db2.gz BFXMRBDYQOCLHG-MJEQTWJJSA-N 1 0 304.390 3.451 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1cc(CC[NH+]2CCCCC2)on1 ZINC000901393770 619494914 /nfs/dbraw/zinc/49/49/14/619494914.db2.gz CMZUTZLUZZXEPN-UHFFFAOYSA-N 1 0 301.346 3.278 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2C1 ZINC000902853240 619683403 /nfs/dbraw/zinc/68/34/03/619683403.db2.gz KVENTGIOBIWTEV-XJKSGUPXSA-N 1 0 312.369 3.324 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)cc1[N+](=O)[O-] ZINC000902874175 619685044 /nfs/dbraw/zinc/68/50/44/619685044.db2.gz DHGSLFMTRFUSRA-LKCYKMOKSA-N 1 0 316.401 3.367 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000902964224 619698148 /nfs/dbraw/zinc/69/81/48/619698148.db2.gz OKJYLEMKMRPUHJ-KZNAEPCWSA-N 1 0 312.369 3.294 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccsc2)cc([N+](=O)[O-])c1 ZINC000903100429 619716384 /nfs/dbraw/zinc/71/63/84/619716384.db2.gz RTNOKPBGYZHVSY-MEBBXXQBSA-N 1 0 322.386 3.049 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000903104486 619717222 /nfs/dbraw/zinc/71/72/22/619717222.db2.gz JAHINERTCUZKRF-SJKOYZFVSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([C@H](C)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000903106327 619717896 /nfs/dbraw/zinc/71/78/96/619717896.db2.gz HDWZWWUHRBRHCZ-NWANDNLSSA-N 1 0 321.421 3.127 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903097610 619719717 /nfs/dbraw/zinc/71/97/17/619719717.db2.gz GZBSSPHFMFDTPS-BXUZGUMPSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC2CCSCC2)cc([N+](=O)[O-])c1 ZINC000903097366 619719740 /nfs/dbraw/zinc/71/97/40/619719740.db2.gz RNAWFFAMBKCWNL-NSHDSACASA-N 1 0 310.419 3.397 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903127998 619722419 /nfs/dbraw/zinc/72/24/19/619722419.db2.gz PRHPWEYSBQDCNE-YPMHNXCESA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](CO)CC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903126675 619722455 /nfs/dbraw/zinc/72/24/55/619722455.db2.gz UGEOHGJNNBQMEP-DGCLKSJQSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000903150771 619729309 /nfs/dbraw/zinc/72/93/09/619729309.db2.gz BSORDZFIZUYQSD-PZSREKOKSA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCC2(OC)CCC2)cc([N+](=O)[O-])c1 ZINC000903176157 619730240 /nfs/dbraw/zinc/73/02/40/619730240.db2.gz YMZSBXGIDBLPRF-GFCCVEGCSA-N 1 0 308.378 3.213 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]Cc2cnccc2C)cc([N+](=O)[O-])c1 ZINC000903179048 619730950 /nfs/dbraw/zinc/73/09/50/619730950.db2.gz LRXDHMQTNCBZSN-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)C(C)(C)O)cc([N+](=O)[O-])c1 ZINC000903185334 619732402 /nfs/dbraw/zinc/73/24/02/619732402.db2.gz DNKGXTUCSYPISU-NSHDSACASA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903224583 619737500 /nfs/dbraw/zinc/73/75/00/619737500.db2.gz YRKUEHIQXOIKDA-DFAYQTQMSA-N 1 0 318.295 3.452 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC[C@H](O)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000903214534 619739510 /nfs/dbraw/zinc/73/95/10/619739510.db2.gz VWEIUFPINHDSFJ-PXAZEXFGSA-N 1 0 322.405 3.195 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cc2n(n1)CCC2 ZINC000903244725 619743376 /nfs/dbraw/zinc/74/33/76/619743376.db2.gz CDJVDHWIVSYHMW-CHWSQXEVSA-N 1 0 314.389 3.192 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC000903244877 619743577 /nfs/dbraw/zinc/74/35/77/619743577.db2.gz FWPNTXCRAGLOID-BXUZGUMPSA-N 1 0 300.362 3.089 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000903252570 619745340 /nfs/dbraw/zinc/74/53/40/619745340.db2.gz NJENYTUCVRBNQM-ITDIGPHOSA-N 1 0 308.353 3.342 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903260425 619746824 /nfs/dbraw/zinc/74/68/24/619746824.db2.gz UUWCVAWSPQWDLH-KEYYUXOJSA-N 1 0 306.406 3.495 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000903301627 619753949 /nfs/dbraw/zinc/75/39/49/619753949.db2.gz SCXUVNVYJVKBCX-COPLHBTASA-N 1 0 309.435 3.060 20 5 DGBDRO CO[C@]1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCSC1 ZINC000903310621 619757523 /nfs/dbraw/zinc/75/75/23/619757523.db2.gz MWXQIVXEBQHJQK-DOMZBBRYSA-N 1 0 310.419 3.076 20 5 DGBDRO CO[C@]1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000903313901 619758126 /nfs/dbraw/zinc/75/81/26/619758126.db2.gz CHCGKUNEWJNIQI-HOTGVXAUSA-N 1 0 322.430 3.084 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC(CCO)C1 ZINC000903331676 619762535 /nfs/dbraw/zinc/76/25/35/619762535.db2.gz FIHSPENCALLVAV-UNXYVOJBSA-N 1 0 310.419 3.128 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@@H]2CCC(F)(F)C2)c1 ZINC000905674237 620017724 /nfs/dbraw/zinc/01/77/24/620017724.db2.gz GJTCGCYIZARDSU-FZMZJTMJSA-N 1 0 314.332 3.043 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905788678 620032602 /nfs/dbraw/zinc/03/26/02/620032602.db2.gz PLQNZVOSHDRYKC-LBPRGKRZSA-N 1 0 317.393 3.026 20 5 DGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000911906628 620353458 /nfs/dbraw/zinc/35/34/58/620353458.db2.gz ILDWTHPPFGXYKC-HNNXBMFYSA-N 1 0 317.389 3.093 20 5 DGBDRO O=C(CCCCC1CC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000911906702 620353658 /nfs/dbraw/zinc/35/36/58/620353658.db2.gz JUBSCELPAJVQPD-UHFFFAOYSA-N 1 0 305.378 3.093 20 5 DGBDRO COC[C@H](O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000153765545 620603145 /nfs/dbraw/zinc/60/31/45/620603145.db2.gz KWPJYZHJHUJESI-QGZVFWFLSA-N 1 0 309.409 3.480 20 5 DGBDRO C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000921552347 620907385 /nfs/dbraw/zinc/90/73/85/620907385.db2.gz KOMYHDVEHMCANF-ZDUSSCGKSA-N 1 0 314.389 3.442 20 5 DGBDRO C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000921553967 620907522 /nfs/dbraw/zinc/90/75/22/620907522.db2.gz ZDWOMYGSSCTNER-GFCCVEGCSA-N 1 0 300.362 3.367 20 5 DGBDRO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C2CCCC2)n1 ZINC000921564513 620908893 /nfs/dbraw/zinc/90/88/93/620908893.db2.gz SHUSXZHSKLPEIF-UHFFFAOYSA-N 1 0 314.389 3.276 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000922680010 621077165 /nfs/dbraw/zinc/07/71/65/621077165.db2.gz SLZUXCFYOFIHTA-OLZOCXBDSA-N 1 0 318.295 3.184 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)cs1 ZINC000922698202 621084036 /nfs/dbraw/zinc/08/40/36/621084036.db2.gz VPRMDLKWQIFBTQ-ZJUUUORDSA-N 1 0 324.324 3.246 20 5 DGBDRO Cc1ccc(C[NH2+]CCc2nc3c(s2)CCC3)cc1[N+](=O)[O-] ZINC000922718530 621089255 /nfs/dbraw/zinc/08/92/55/621089255.db2.gz WWINVGYVESVSPE-UHFFFAOYSA-N 1 0 317.414 3.181 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(c3ccccc3)CCCO2)cc1 ZINC000922959499 621136834 /nfs/dbraw/zinc/13/68/34/621136834.db2.gz FOHYQWCMYHVSSR-SFHVURJKSA-N 1 0 312.369 3.390 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000858285199 621171535 /nfs/dbraw/zinc/17/15/35/621171535.db2.gz JBVOYILAENWOSE-OAHLLOKOSA-N 1 0 323.824 3.355 20 5 DGBDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000858505513 621199304 /nfs/dbraw/zinc/19/93/04/621199304.db2.gz LLXXBMVXZHKCJL-JSGCOSHPSA-N 1 0 318.373 3.206 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000859585346 621295562 /nfs/dbraw/zinc/29/55/62/621295562.db2.gz NYEMQAUNIRUIQT-GOSISDBHSA-N 1 0 312.369 3.078 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000839189520 621346183 /nfs/dbraw/zinc/34/61/83/621346183.db2.gz AQWOCTZRBVTZTO-BVGQSLNGSA-N 1 0 315.417 3.342 20 5 DGBDRO CCCCCC[N@H+](C)CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118303855 621518628 /nfs/dbraw/zinc/51/86/28/621518628.db2.gz XXKGZUFDAKTJIW-UHFFFAOYSA-N 1 0 307.394 3.354 20 5 DGBDRO CC(C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000754828515 621535578 /nfs/dbraw/zinc/53/55/78/621535578.db2.gz IGUDWICNFIBDQN-CYBMUJFWSA-N 1 0 306.387 3.215 20 5 DGBDRO CCOc1cc(CN2CC[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000755064202 621549609 /nfs/dbraw/zinc/54/96/09/621549609.db2.gz JHBINKQBTYXUJJ-LLVKDONJSA-N 1 0 318.295 3.378 20 5 DGBDRO C[N@@H+]1CCCC[C@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862481874 621593347 /nfs/dbraw/zinc/59/33/47/621593347.db2.gz AKPOJOHYFTYLHG-CYBMUJFWSA-N 1 0 311.813 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCCC4(CC4)CC3)c2c1 ZINC000863330380 621664120 /nfs/dbraw/zinc/66/41/20/621664120.db2.gz KXVGWYONBCJIDK-UHFFFAOYSA-N 1 0 300.362 3.168 20 5 DGBDRO CC[N@@H+](Cc1occc1C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839663235 621706031 /nfs/dbraw/zinc/70/60/31/621706031.db2.gz OSJHYHXCQRFTHE-OAHLLOKOSA-N 1 0 304.346 3.052 20 5 DGBDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000120221813 621810578 /nfs/dbraw/zinc/81/05/78/621810578.db2.gz BPJOZXHIJKFQPT-HOTGVXAUSA-N 1 0 314.389 3.407 20 5 DGBDRO CN(C)c1ccc(F)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000865418748 621915568 /nfs/dbraw/zinc/91/55/68/621915568.db2.gz IWEPZVZRIZRIDG-UHFFFAOYSA-N 1 0 303.337 3.090 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c(C(F)F)c1 ZINC000865502685 621937478 /nfs/dbraw/zinc/93/74/78/621937478.db2.gz NKKMWUDBXLNAKR-LBPRGKRZSA-N 1 0 311.332 3.207 20 5 DGBDRO C[NH+](C)C[C@@H]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC000865537730 621945828 /nfs/dbraw/zinc/94/58/28/621945828.db2.gz LSFVFNBZBKQXCV-VIFPVBQESA-N 1 0 318.204 3.290 20 5 DGBDRO CC[N@H+](CCC1CC1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000760538592 621948867 /nfs/dbraw/zinc/94/88/67/621948867.db2.gz MCTLHXLVZJPZNY-UHFFFAOYSA-N 1 0 302.378 3.332 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1[N+](=O)[O-] ZINC000865694626 621979169 /nfs/dbraw/zinc/97/91/69/621979169.db2.gz VAWQFJDUOSDBHZ-AIGAYMNCSA-N 1 0 316.401 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761049322 621981881 /nfs/dbraw/zinc/98/18/81/621981881.db2.gz HAWYNIWRBVVNGK-NSHDSACASA-N 1 0 318.295 3.248 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000865760701 621990039 /nfs/dbraw/zinc/99/00/39/621990039.db2.gz FUOWGYOCNJJQTG-WBVHZDCISA-N 1 0 304.390 3.198 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000865762087 621990522 /nfs/dbraw/zinc/99/05/22/621990522.db2.gz LFAFNUYNUBTOTN-LOGPRUAHSA-N 1 0 316.401 3.403 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865785440 621995653 /nfs/dbraw/zinc/99/56/53/621995653.db2.gz SOQNFPRJRRXMGO-HNKISGKTSA-N 1 0 316.401 3.260 20 5 DGBDRO CN1Cc2ccccc2[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000865807689 621999017 /nfs/dbraw/zinc/99/90/17/621999017.db2.gz WIQKPEVWSCLYMR-WMHRWZGDSA-N 1 0 323.396 3.384 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCn3nccc32)ccc1Cl ZINC000865872522 622012655 /nfs/dbraw/zinc/01/26/55/622012655.db2.gz XZUFZMIDPCIJIF-GFCCVEGCSA-N 1 0 306.753 3.069 20 5 DGBDRO CC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761506016 622013122 /nfs/dbraw/zinc/01/31/22/622013122.db2.gz MAVLIXTYNMPGTG-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865876507 622013575 /nfs/dbraw/zinc/01/35/75/622013575.db2.gz WAYIHQOSVKMDFH-HNNXBMFYSA-N 1 0 312.797 3.279 20 5 DGBDRO Nc1cc[nH+]c2c1CN(c1ccc([N+](=O)[O-])cc1C(F)F)CC2 ZINC000865909935 622018669 /nfs/dbraw/zinc/01/86/69/622018669.db2.gz HVWPCGUFBWFHOK-UHFFFAOYSA-N 1 0 320.299 3.072 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)CC(C)(C)C ZINC000866270424 622080743 /nfs/dbraw/zinc/08/07/43/622080743.db2.gz XQQJJHUXKUWNGQ-FZMZJTMJSA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000866272612 622081896 /nfs/dbraw/zinc/08/18/96/622081896.db2.gz XWOOZPGDTKLOBG-NMFKLSHFSA-N 1 0 322.380 3.068 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866275086 622082937 /nfs/dbraw/zinc/08/29/37/622082937.db2.gz XDKSOSIYUGHDBR-DLBZAZTESA-N 1 0 304.390 3.075 20 5 DGBDRO CCC[C@H](CCO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866275660 622082994 /nfs/dbraw/zinc/08/29/94/622082994.db2.gz OKZJZNHOJCRIDL-QWHCGFSZSA-N 1 0 312.385 3.053 20 5 DGBDRO CCC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000866277247 622083492 /nfs/dbraw/zinc/08/34/92/622083492.db2.gz LBMAYGHRZGOOCU-ZDUSSCGKSA-N 1 0 324.396 3.461 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000866285082 622084818 /nfs/dbraw/zinc/08/48/18/622084818.db2.gz DEJDNWLJAPJKEN-NWDGAFQWSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000866307348 622089529 /nfs/dbraw/zinc/08/95/29/622089529.db2.gz YPIDBIJSYWFZME-SWLSCSKDSA-N 1 0 322.380 3.356 20 5 DGBDRO CC[C@H](CSC)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866313571 622091654 /nfs/dbraw/zinc/09/16/54/622091654.db2.gz CYCVVFGSNONTLM-ZWNOBZJWSA-N 1 0 300.399 3.396 20 5 DGBDRO Cc1nnc([C@@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866338194 622096826 /nfs/dbraw/zinc/09/68/26/622096826.db2.gz PEZDSUQZUVUPSO-RKDXNWHRSA-N 1 0 324.381 3.176 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CC(F)(F)C1 ZINC000866365672 622104275 /nfs/dbraw/zinc/10/42/75/622104275.db2.gz VDIMZVBDXQWKIM-VIFPVBQESA-N 1 0 302.296 3.300 20 5 DGBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866369183 622104987 /nfs/dbraw/zinc/10/49/87/622104987.db2.gz BIZQCANJCHIISN-USBNGQNGSA-N 1 0 310.369 3.068 20 5 DGBDRO COCC1(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866382721 622107225 /nfs/dbraw/zinc/10/72/25/622107225.db2.gz UBALJBUVXRZANK-LBPRGKRZSA-N 1 0 310.369 3.071 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000866388952 622108735 /nfs/dbraw/zinc/10/87/35/622108735.db2.gz BRVZWXXVXMULNZ-JMSVASOKSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC1(C)C ZINC000866391965 622109384 /nfs/dbraw/zinc/10/93/84/622109384.db2.gz ULEIMAXKVQYIOF-DGCLKSJQSA-N 1 0 310.369 3.070 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)CC1(C)OCCO1 ZINC000866425594 622115756 /nfs/dbraw/zinc/11/57/56/622115756.db2.gz NDQGJMXGNUOWLK-OCCSQVGLSA-N 1 0 322.405 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@@H](C4CC4)C3)c2)cc1 ZINC000763331816 622138715 /nfs/dbraw/zinc/13/87/15/622138715.db2.gz JAYPEFHGPAEQJP-OAHLLOKOSA-N 1 0 312.373 3.148 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000866613006 622147275 /nfs/dbraw/zinc/14/72/75/622147275.db2.gz DGKNMSZOIFHWCY-NWDGAFQWSA-N 1 0 318.377 3.139 20 5 DGBDRO CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000867992139 622202387 /nfs/dbraw/zinc/20/23/87/622202387.db2.gz XEWOZLIRUMJYJA-ZDUSSCGKSA-N 1 0 317.370 3.095 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000764940411 622234610 /nfs/dbraw/zinc/23/46/10/622234610.db2.gz JPIQVCYPYNKWFR-GFCCVEGCSA-N 1 0 323.368 3.171 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766248909 622314903 /nfs/dbraw/zinc/31/49/03/622314903.db2.gz JGTHFGNDGBEZHM-NEPJUHHUSA-N 1 0 311.813 3.163 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766253198 622315131 /nfs/dbraw/zinc/31/51/31/622315131.db2.gz JRWHNLRSKJTUES-VXGBXAGGSA-N 1 0 311.813 3.163 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000766255812 622315424 /nfs/dbraw/zinc/31/54/24/622315424.db2.gz XSVMRWSGZGPXAH-VXGBXAGGSA-N 1 0 311.813 3.163 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000766255809 622315535 /nfs/dbraw/zinc/31/55/35/622315535.db2.gz XSVMRWSGZGPXAH-NWDGAFQWSA-N 1 0 311.813 3.163 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H]1C ZINC000766380651 622325769 /nfs/dbraw/zinc/32/57/69/622325769.db2.gz KAYDNQINTLDDFQ-KGLIPLIRSA-N 1 0 314.389 3.394 20 5 DGBDRO CSC[C@@H]1CCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000767772853 622421379 /nfs/dbraw/zinc/42/13/79/622421379.db2.gz ALBVKXKUGJPZJI-ZDUSSCGKSA-N 1 0 320.418 3.038 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768540703 622463522 /nfs/dbraw/zinc/46/35/22/622463522.db2.gz CCRZSIVQZCAQOM-CYBMUJFWSA-N 1 0 311.813 3.211 20 5 DGBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000771227439 622729426 /nfs/dbraw/zinc/72/94/26/622729426.db2.gz AAAAIWVJASCCQH-JTQLQIEISA-N 1 0 315.320 3.092 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872018997 622755367 /nfs/dbraw/zinc/75/53/67/622755367.db2.gz RLGLKQVPUQANEJ-CYBMUJFWSA-N 1 0 320.368 3.288 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)CC(C)C ZINC000872024837 622757660 /nfs/dbraw/zinc/75/76/60/622757660.db2.gz WJZPQYJRPPJVNQ-RYUDHWBXSA-N 1 0 312.435 3.374 20 5 DGBDRO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025796 622758570 /nfs/dbraw/zinc/75/85/70/622758570.db2.gz TXVSNRWXCLSMBY-LBPRGKRZSA-N 1 0 321.396 3.259 20 5 DGBDRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872027945 622761068 /nfs/dbraw/zinc/76/10/68/622761068.db2.gz GYEMDSKZQBQEJG-RKDXNWHRSA-N 1 0 324.274 3.352 20 5 DGBDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])[nH]n1 ZINC000872049959 622775778 /nfs/dbraw/zinc/77/57/78/622775778.db2.gz XNVGYKKPOGMAMT-GXSJLCMTSA-N 1 0 306.341 3.047 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872054230 622779142 /nfs/dbraw/zinc/77/91/42/622779142.db2.gz RQMBAUDPWKXQRF-DPDCMNJDSA-N 1 0 320.364 3.342 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCC(F)F ZINC000872064239 622785113 /nfs/dbraw/zinc/78/51/13/622785113.db2.gz DLOLTYYKZFESKM-VIFPVBQESA-N 1 0 320.361 3.249 20 5 DGBDRO CO[C@H](CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F ZINC000872064965 622785936 /nfs/dbraw/zinc/78/59/36/622785936.db2.gz PZMBXVLHXWOBDI-LDYMZIIASA-N 1 0 324.274 3.352 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1(O)CCC1 ZINC000872070602 622788365 /nfs/dbraw/zinc/78/83/65/622788365.db2.gz UZHCNECLKOOZOZ-LLVKDONJSA-N 1 0 310.419 3.272 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C)C[NH+](C)C ZINC000872073123 622790159 /nfs/dbraw/zinc/79/01/59/622790159.db2.gz NCKCXTVHZVXVMK-RYUDHWBXSA-N 1 0 311.451 3.165 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)C[NH+](C)C ZINC000872073122 622790169 /nfs/dbraw/zinc/79/01/69/622790169.db2.gz NCKCXTVHZVXVMK-NWDGAFQWSA-N 1 0 311.451 3.165 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1=CCOCC1 ZINC000872075046 622790953 /nfs/dbraw/zinc/79/09/53/622790953.db2.gz NCLOTQHZOSHJRR-NSHDSACASA-N 1 0 308.403 3.314 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1(CO)CC1 ZINC000872077027 622792154 /nfs/dbraw/zinc/79/21/54/622792154.db2.gz XNSYNIIKMKAHDV-NSHDSACASA-N 1 0 310.419 3.130 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(N(C)C)CC1 ZINC000872078689 622793104 /nfs/dbraw/zinc/79/31/04/622793104.db2.gz DDHLJWCRQSDEPE-LLVKDONJSA-N 1 0 309.435 3.062 20 5 DGBDRO C[C@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086236 622797472 /nfs/dbraw/zinc/79/74/72/622797472.db2.gz VPOXABAVMYBKTH-RYUDHWBXSA-N 1 0 309.385 3.257 20 5 DGBDRO C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087887 622797961 /nfs/dbraw/zinc/79/79/61/622797961.db2.gz LQOFNDHOBAAIAR-QWHCGFSZSA-N 1 0 309.385 3.116 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000872091628 622799754 /nfs/dbraw/zinc/79/97/54/622799754.db2.gz XZOBBXGZTDXWHZ-SNVBAGLBSA-N 1 0 319.386 3.268 20 5 DGBDRO C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872096438 622804407 /nfs/dbraw/zinc/80/44/07/622804407.db2.gz ZXFZAGVPAAGLAT-XHDPSFHLSA-N 1 0 310.369 3.326 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872107345 622809712 /nfs/dbraw/zinc/80/97/12/622809712.db2.gz LPSKDZWEDVOFBP-JUFZMCDQSA-N 1 0 308.353 3.342 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCc2ccccc21 ZINC000790052524 625597824 /nfs/dbraw/zinc/59/78/24/625597824.db2.gz GLDOYGZWNOQGPI-CQSZACIVSA-N 1 0 312.369 3.423 20 5 DGBDRO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000872131536 622824800 /nfs/dbraw/zinc/82/48/00/622824800.db2.gz WHJQPYNYMDOCCG-JQWIXIFHSA-N 1 0 318.352 3.114 20 5 DGBDRO Cc1cc(N2CCC(C)([NH+]3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000872665740 622950275 /nfs/dbraw/zinc/95/02/75/622950275.db2.gz SBAIOOANYVUBIS-UHFFFAOYSA-N 1 0 318.421 3.143 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCOCC(F)(F)F ZINC000873012080 623017008 /nfs/dbraw/zinc/01/70/08/623017008.db2.gz CSIBSZDCPHHPEN-UHFFFAOYSA-N 1 0 320.311 3.270 20 5 DGBDRO Cc1c(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873021777 623019325 /nfs/dbraw/zinc/01/93/25/623019325.db2.gz LQLAZSPZFZFEJL-MRXNPFEDSA-N 1 0 316.405 3.304 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)c1ccccc1C ZINC000873051909 623026281 /nfs/dbraw/zinc/02/62/81/623026281.db2.gz PVPULEGDIXXDEA-SFHVURJKSA-N 1 0 314.385 3.343 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@](C)(O)c1cccs1 ZINC000873058523 623026809 /nfs/dbraw/zinc/02/68/09/623026809.db2.gz PYQLMYNQWYGFEQ-MRXNPFEDSA-N 1 0 320.414 3.270 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@](C)(O)c1cccs1 ZINC000873058522 623026931 /nfs/dbraw/zinc/02/69/31/623026931.db2.gz PYQLMYNQWYGFEQ-INIZCTEOSA-N 1 0 320.414 3.270 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)C[C@@H](O)c1ccco1 ZINC000873097956 623036285 /nfs/dbraw/zinc/03/62/85/623036285.db2.gz ZQWBDAXKKHDNHG-MLGOLLRUSA-N 1 0 318.373 3.406 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccc(CO)cc1 ZINC000873101308 623036855 /nfs/dbraw/zinc/03/68/55/623036855.db2.gz SPDMIESLUXOLGD-UHFFFAOYSA-N 1 0 314.385 3.036 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(CF)CCOCC1 ZINC000873130622 623043168 /nfs/dbraw/zinc/04/31/68/623043168.db2.gz FCEPGHVDXNAMTF-UHFFFAOYSA-N 1 0 310.369 3.068 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873149967 623050923 /nfs/dbraw/zinc/05/09/23/623050923.db2.gz WAWGPAYVTYITAN-HOTGVXAUSA-N 1 0 318.417 3.364 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2c3ccccc3CN2C)cccc1[N+](=O)[O-] ZINC000873151794 623051038 /nfs/dbraw/zinc/05/10/38/623051038.db2.gz AOVJMOANMJRTMY-GOSISDBHSA-N 1 0 311.385 3.180 20 5 DGBDRO O=[N+]([O-])c1c(F)nccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000882047560 625619473 /nfs/dbraw/zinc/61/94/73/625619473.db2.gz VVGHQAHPCXSMNX-UHFFFAOYSA-N 1 0 322.384 3.338 20 5 DGBDRO Nc1cc(F)cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000873288814 623104381 /nfs/dbraw/zinc/10/43/81/623104381.db2.gz LZWZWOCITQEIOE-QGZVFWFLSA-N 1 0 315.348 3.483 20 5 DGBDRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774213686 623120758 /nfs/dbraw/zinc/12/07/58/623120758.db2.gz QOKFYASEPDVCRR-DGAVXFQQSA-N 1 0 324.450 3.149 20 5 DGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000774618012 623166493 /nfs/dbraw/zinc/16/64/93/623166493.db2.gz HHMQVRVOXNQNRJ-XHDPSFHLSA-N 1 0 302.378 3.331 20 5 DGBDRO C[C@@H]1C[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C[C@H]1C ZINC000774636133 623168506 /nfs/dbraw/zinc/16/85/06/623168506.db2.gz MFMRBULTPPLARL-NXEZZACHSA-N 1 0 308.769 3.143 20 5 DGBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775061619 623224514 /nfs/dbraw/zinc/22/45/14/623224514.db2.gz YRISATXKKRWADK-GFCCVEGCSA-N 1 0 307.350 3.371 20 5 DGBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000776276570 623405759 /nfs/dbraw/zinc/40/57/59/623405759.db2.gz NZYIOFZOVYIEHZ-QZTJIDSGSA-N 1 0 312.369 3.248 20 5 DGBDRO C[N@H+](CCCc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277428 623406194 /nfs/dbraw/zinc/40/61/94/623406194.db2.gz PGSKLSCHNKGCGF-SFHVURJKSA-N 1 0 314.385 3.193 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000776578160 623442306 /nfs/dbraw/zinc/44/23/06/623442306.db2.gz DRTIXCGBOQJWIQ-AEFFLSMTSA-N 1 0 312.369 3.118 20 5 DGBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590343 623444113 /nfs/dbraw/zinc/44/41/13/623444113.db2.gz ZVCQAIZGGADQNO-FZKQIMNGSA-N 1 0 312.369 3.075 20 5 DGBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000776596967 623445339 /nfs/dbraw/zinc/44/53/39/623445339.db2.gz BDIHDQGKLTVMNK-CZUORRHYSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777739969 623563897 /nfs/dbraw/zinc/56/38/97/623563897.db2.gz SXHBJMAVWBGPOV-OAHLLOKOSA-N 1 0 308.353 3.125 20 5 DGBDRO C[C@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H]1C ZINC000777958567 623591029 /nfs/dbraw/zinc/59/10/29/623591029.db2.gz RHWWVMHJMDIKPN-UONOGXRCSA-N 1 0 314.389 3.394 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)[C@H]1C ZINC000777963390 623591692 /nfs/dbraw/zinc/59/16/92/623591692.db2.gz KSPLVZXZYBQQEW-OLZOCXBDSA-N 1 0 300.362 3.146 20 5 DGBDRO C[C@@H]1C[C@@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000778994774 623718700 /nfs/dbraw/zinc/71/87/00/623718700.db2.gz KTYOUQUNNOXBDT-NEPJUHHUSA-N 1 0 312.797 3.495 20 5 DGBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000779121936 623732031 /nfs/dbraw/zinc/73/20/31/623732031.db2.gz HCUMHCHCODPNBU-UHFFFAOYSA-N 1 0 320.389 3.291 20 5 DGBDRO CC[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876885487 623736269 /nfs/dbraw/zinc/73/62/69/623736269.db2.gz XZOUKWWJDPJQHD-JEYLPNPQSA-N 1 0 314.389 3.278 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)C2)c1 ZINC000876903690 623741080 /nfs/dbraw/zinc/74/10/80/623741080.db2.gz OOGWHXKQCBYZGE-ZJKXKIRJSA-N 1 0 318.421 3.443 20 5 DGBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876988567 623760755 /nfs/dbraw/zinc/76/07/55/623760755.db2.gz GUIUXEBKWPTZOE-ZBCRRDGASA-N 1 0 300.362 3.236 20 5 DGBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1nc(C)cs1 ZINC000877025135 623768884 /nfs/dbraw/zinc/76/88/84/623768884.db2.gz CQVFYUPMCPJVKG-GCZXYKMCSA-N 1 0 321.406 3.001 20 5 DGBDRO C[C@@H]1CCC[C@H](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877029506 623769713 /nfs/dbraw/zinc/76/97/13/623769713.db2.gz FNLQGPRDHCJRKZ-LMRVLLHPSA-N 1 0 306.410 3.301 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3Cc4ccccc4C3)nc2c1 ZINC000877035322 623771258 /nfs/dbraw/zinc/77/12/58/623771258.db2.gz FCWGQWUPURHCKS-UHFFFAOYSA-N 1 0 323.352 3.241 20 5 DGBDRO Cc1ccc(CC[C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000877066730 623781670 /nfs/dbraw/zinc/78/16/70/623781670.db2.gz RYJXABSRRFADKV-LMWSTFAQSA-N 1 0 318.377 3.007 20 5 DGBDRO CS[C@@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877068394 623782271 /nfs/dbraw/zinc/78/22/71/623782271.db2.gz QMWQQJPPZQKJHQ-GXSJLCMTSA-N 1 0 307.375 3.110 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3C[C@@H]3C3CCCCC3)C2)c1 ZINC000877156216 623809934 /nfs/dbraw/zinc/80/99/34/623809934.db2.gz RTKXINWHJSYMFA-BCAXMMLOSA-N 1 0 304.394 3.053 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3C[C@@H]3C3CCCCC3)C2)c1 ZINC000877156219 623810226 /nfs/dbraw/zinc/81/02/26/623810226.db2.gz RTKXINWHJSYMFA-GMEATFMZSA-N 1 0 304.394 3.053 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2CCC2CCCC2)cc1[N+](=O)[O-] ZINC000779866167 623824267 /nfs/dbraw/zinc/82/42/67/623824267.db2.gz CKABFCGLPAQXOH-OAHLLOKOSA-N 1 0 306.410 3.492 20 5 DGBDRO COc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000877557899 623940658 /nfs/dbraw/zinc/94/06/58/623940658.db2.gz RNGXIMJSKLZRCJ-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCC[C@H](C4CC4)C3)C2)c1 ZINC000877601012 623958247 /nfs/dbraw/zinc/95/82/47/623958247.db2.gz QVCMWVNYAAXPIX-ZUJMUWTESA-N 1 0 304.394 3.053 20 5 DGBDRO C[C@@]1(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@]1(F)Cl ZINC000877611620 623961615 /nfs/dbraw/zinc/96/16/15/623961615.db2.gz VWKUXYDQZAAOOZ-KGLIPLIRSA-N 1 0 300.761 3.432 20 5 DGBDRO C[C@]1(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@]1(F)Cl ZINC000877611621 623962343 /nfs/dbraw/zinc/96/23/43/623962343.db2.gz VWKUXYDQZAAOOZ-UONOGXRCSA-N 1 0 300.761 3.432 20 5 DGBDRO COc1cc(C[C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000877730133 624006969 /nfs/dbraw/zinc/00/69/69/624006969.db2.gz NLRIXPFCUHVLQC-ZDUSSCGKSA-N 1 0 315.373 3.028 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)ccc1Cl ZINC000877737352 624010798 /nfs/dbraw/zinc/01/07/98/624010798.db2.gz FWDCFZSBLWSFMO-RYUDHWBXSA-N 1 0 312.822 3.433 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877741479 624013399 /nfs/dbraw/zinc/01/33/99/624013399.db2.gz VWSKWCAIFAWCQF-UJOCRUBTSA-N 1 0 304.415 3.293 20 5 DGBDRO CC1([NH+]2CCCCC2)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000877795662 624037036 /nfs/dbraw/zinc/03/70/36/624037036.db2.gz RQNWHGAFEQUXOF-UHFFFAOYSA-N 1 0 323.462 3.497 20 5 DGBDRO Cc1csc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000877813311 624045928 /nfs/dbraw/zinc/04/59/28/624045928.db2.gz KUJVBFCJFOYRAD-LBPRGKRZSA-N 1 0 321.377 3.488 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@H]1SC ZINC000877827553 624057828 /nfs/dbraw/zinc/05/78/28/624057828.db2.gz AYXBPPZCSQGYLX-PZTHBURQSA-N 1 0 310.419 3.154 20 5 DGBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000877832195 624061799 /nfs/dbraw/zinc/06/17/99/624061799.db2.gz HVZHIYMNZOJVBJ-ZWKOTPCHSA-N 1 0 314.385 3.239 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000877836091 624064570 /nfs/dbraw/zinc/06/45/70/624064570.db2.gz MOXHAWMPFJGHGS-UZGISAJGSA-N 1 0 304.390 3.091 20 5 DGBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877996463 624130448 /nfs/dbraw/zinc/13/04/48/624130448.db2.gz SXEYFXUHCFLYIA-CYBMUJFWSA-N 1 0 316.361 3.265 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878045981 624148378 /nfs/dbraw/zinc/14/83/78/624148378.db2.gz OVYXYAJMQYPJHM-LLVKDONJSA-N 1 0 302.334 3.019 20 5 DGBDRO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H]2CCCC[C@H]12 ZINC000782274608 624230833 /nfs/dbraw/zinc/23/08/33/624230833.db2.gz BRZOBCSGZABAFS-VMGRFDJRSA-N 1 0 314.389 3.413 20 5 DGBDRO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCC[C@H]21 ZINC000782274594 624231220 /nfs/dbraw/zinc/23/12/20/624231220.db2.gz BRZOBCSGZABAFS-ISTRZQFTSA-N 1 0 314.389 3.413 20 5 DGBDRO CN(CC1([NH+](C)C)CCC1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000782427418 624249834 /nfs/dbraw/zinc/24/98/34/624249834.db2.gz ZBKJYWKKSXKLGF-UHFFFAOYSA-N 1 0 320.418 3.125 20 5 DGBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000782502858 624257413 /nfs/dbraw/zinc/25/74/13/624257413.db2.gz HVIGJJOYUIZSAZ-VZEFYGNVSA-N 1 0 304.390 3.139 20 5 DGBDRO CCCCCC[N@H+](C)CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000782812929 624283194 /nfs/dbraw/zinc/28/31/94/624283194.db2.gz COQXEIFKTVLWNL-UHFFFAOYSA-N 1 0 323.393 3.054 20 5 DGBDRO CCOC(C[N@H+](CC)Cc1ccc(C)c([N+](=O)[O-])c1)OCC ZINC000878685793 624340064 /nfs/dbraw/zinc/34/00/64/624340064.db2.gz MKVNUNZTPREHIE-UHFFFAOYSA-N 1 0 310.394 3.124 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)[C@H]1C ZINC000878718081 624346627 /nfs/dbraw/zinc/34/66/27/624346627.db2.gz OKUSRJQKAFNOSO-WOPDTQHZSA-N 1 0 316.361 3.121 20 5 DGBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878718079 624347156 /nfs/dbraw/zinc/34/71/56/624347156.db2.gz OKUSRJQKAFNOSO-IJLUTSLNSA-N 1 0 316.361 3.121 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2Cc3ccccc3O2)cc1Cl ZINC000783597475 624373139 /nfs/dbraw/zinc/37/31/39/624373139.db2.gz FIDLGBCVNNYQMK-ZDUSSCGKSA-N 1 0 318.760 3.342 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CCCCC2)cc1Cl ZINC000783639983 624378387 /nfs/dbraw/zinc/37/83/87/624378387.db2.gz XKAOOPZVRHPOGE-CQSZACIVSA-N 1 0 312.797 3.279 20 5 DGBDRO CC[C@H](C)[N@H+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878884839 624380180 /nfs/dbraw/zinc/38/01/80/624380180.db2.gz NCYGCEGXYWJVBP-NSHDSACASA-N 1 0 304.350 3.265 20 5 DGBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783676234 624382578 /nfs/dbraw/zinc/38/25/78/624382578.db2.gz GPWPZKWOTJIBKF-CYBMUJFWSA-N 1 0 312.797 3.497 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000879242292 624458990 /nfs/dbraw/zinc/45/89/90/624458990.db2.gz YOOSHQRYPANVDM-ROUUACIJSA-N 1 0 312.369 3.293 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879406762 624535258 /nfs/dbraw/zinc/53/52/58/624535258.db2.gz RGTFARHQFAXWAO-HNNXBMFYSA-N 1 0 308.378 3.041 20 5 DGBDRO CC(C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000785602956 624696593 /nfs/dbraw/zinc/69/65/93/624696593.db2.gz RRESPXDXHCHBMB-FNORWQNLSA-N 1 0 304.390 3.403 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880313386 624910479 /nfs/dbraw/zinc/91/04/79/624910479.db2.gz MELGZBNMKNKSOM-NSHDSACASA-N 1 0 319.386 3.049 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000786803131 624955032 /nfs/dbraw/zinc/95/50/32/624955032.db2.gz DXXORZCOMXADIE-STQMWFEESA-N 1 0 305.378 3.082 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[S@](=O)C(C)(C)C ZINC000786814454 624956075 /nfs/dbraw/zinc/95/60/75/624956075.db2.gz OHSOOBSSIIHLGR-FLSMSTFGSA-N 1 0 324.446 3.135 20 5 DGBDRO CCCN(CCC[NH+](C)C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000786828349 624957253 /nfs/dbraw/zinc/95/72/53/624957253.db2.gz VECUOMDOVPJUEY-UHFFFAOYSA-N 1 0 316.405 3.311 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000880457961 624960209 /nfs/dbraw/zinc/96/02/09/624960209.db2.gz CLZUWPJNAWYVHB-UHFFFAOYSA-N 1 0 308.353 3.269 20 5 DGBDRO CC[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000880465456 624962468 /nfs/dbraw/zinc/96/24/68/624962468.db2.gz DZLKPIRPYIFLNR-RHSMWYFYSA-N 1 0 322.405 3.159 20 5 DGBDRO CC1([NH+]2CCC2)CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000880474299 624964540 /nfs/dbraw/zinc/96/45/40/624964540.db2.gz XWMPPDJPKOBNKT-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCc3ccccc3OC2)cccc1[N+](=O)[O-] ZINC000786926247 624965268 /nfs/dbraw/zinc/96/52/68/624965268.db2.gz IHAYCJBXKCWIHU-MRXNPFEDSA-N 1 0 312.369 3.387 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@]23CCCO3)c(Cl)c1 ZINC000880503668 624967353 /nfs/dbraw/zinc/96/73/53/624967353.db2.gz DRZWYYCRAQYKHR-CABCVRRESA-N 1 0 310.781 3.440 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@]23CCCO3)ccc1Cl ZINC000880507048 624969256 /nfs/dbraw/zinc/96/92/56/624969256.db2.gz TXXDJBMRDUKNMR-CABCVRRESA-N 1 0 310.781 3.440 20 5 DGBDRO C[C@H]([NH2+]CCCOc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788507596 625201633 /nfs/dbraw/zinc/20/16/33/625201633.db2.gz RWCZTWSYKOXKDC-ZDUSSCGKSA-N 1 0 315.373 3.297 20 5 DGBDRO C[C@@H]([NH2+]CC1Cc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788643566 625234787 /nfs/dbraw/zinc/23/47/87/625234787.db2.gz KMFIWAHSFUYDFO-GFCCVEGCSA-N 1 0 311.385 3.243 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(F)c1 ZINC000788667706 625238066 /nfs/dbraw/zinc/23/80/66/625238066.db2.gz HJDRVQBJDXVOMU-JTQLQIEISA-N 1 0 319.336 3.176 20 5 DGBDRO C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788664201 625238410 /nfs/dbraw/zinc/23/84/10/625238410.db2.gz IKIAEFJRQGHCAT-XGWLTEMNSA-N 1 0 311.385 3.459 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)c1ccccc1F ZINC000130360952 625841692 /nfs/dbraw/zinc/84/16/92/625841692.db2.gz SHQMRUAFHNLKKF-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000796486776 626055712 /nfs/dbraw/zinc/05/57/12/626055712.db2.gz QBPRKVCOVDFAKZ-KSSFIOAISA-N 1 0 314.385 3.423 20 5 DGBDRO CC1=C[C@@H](C)C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000797417009 626141237 /nfs/dbraw/zinc/14/12/37/626141237.db2.gz LQVBYCHTBHKTAG-CYBMUJFWSA-N 1 0 312.373 3.314 20 5 DGBDRO Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000797602667 626159008 /nfs/dbraw/zinc/15/90/08/626159008.db2.gz OVIBTOVWTDDUGS-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CC)[NH+](CC)CC ZINC000798542029 626225511 /nfs/dbraw/zinc/22/55/11/626225511.db2.gz DHTMPDQMXYDGBY-AWEZNQCLSA-N 1 0 323.393 3.052 20 5 DGBDRO CN(CCC[NH+]1CCCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000798958339 626263248 /nfs/dbraw/zinc/26/32/48/626263248.db2.gz VCCOKXWINJHGQD-UHFFFAOYSA-N 1 0 311.813 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](c4ccccn4)C3)nc2c1 ZINC000799193557 626279638 /nfs/dbraw/zinc/27/96/38/626279638.db2.gz LOIXQBMSGLUFMF-LBPRGKRZSA-N 1 0 324.340 3.121 20 5 DGBDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801525534 626407712 /nfs/dbraw/zinc/40/77/12/626407712.db2.gz VUFKHVVFVDHPID-YVEFUNNKSA-N 1 0 324.396 3.401 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1OC ZINC000801551320 626409662 /nfs/dbraw/zinc/40/96/62/626409662.db2.gz LHSQXVRGURLZRO-CABCVRRESA-N 1 0 310.369 3.417 20 5 DGBDRO Cc1ccc([C@@H](O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000801600209 626411920 /nfs/dbraw/zinc/41/19/20/626411920.db2.gz MRBFOFNEKZTNJB-SFHVURJKSA-N 1 0 314.385 3.111 20 5 DGBDRO CC(C)(C)SCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000801914060 626425342 /nfs/dbraw/zinc/42/53/42/626425342.db2.gz DNDFHGQKABYPPY-UHFFFAOYSA-N 1 0 323.462 3.249 20 5 DGBDRO C[N@@H+]1CC[C@H](CSc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000839987590 626588662 /nfs/dbraw/zinc/58/86/62/626588662.db2.gz XKEWGLVJAUCJNG-VIFPVBQESA-N 1 0 309.416 3.248 20 5 DGBDRO CCC[N@H+](C)CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000803617895 626625506 /nfs/dbraw/zinc/62/55/06/626625506.db2.gz YKKKUINEUZUCAL-UHFFFAOYSA-N 1 0 307.394 3.173 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000883316622 626644139 /nfs/dbraw/zinc/64/41/39/626644139.db2.gz FRJHSIBYCGJKSU-BETUJISGSA-N 1 0 316.357 3.369 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000803854570 626644264 /nfs/dbraw/zinc/64/42/64/626644264.db2.gz UHDPZJMYQNEMIT-ZDUSSCGKSA-N 1 0 324.352 3.042 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000883340967 626653734 /nfs/dbraw/zinc/65/37/34/626653734.db2.gz DSBWWZDJZNMIRT-SFHVURJKSA-N 1 0 312.369 3.173 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883353555 626657707 /nfs/dbraw/zinc/65/77/07/626657707.db2.gz XBQTYCYJYNLSBY-UHOFOFEASA-N 1 0 304.390 3.377 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883357839 626659446 /nfs/dbraw/zinc/65/94/46/626659446.db2.gz WDJHXIQAJPVEMI-JSGCOSHPSA-N 1 0 320.389 3.356 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883357793 626659496 /nfs/dbraw/zinc/65/94/96/626659496.db2.gz UHYCAHLDGJKDOY-WFASDCNBSA-N 1 0 302.374 3.273 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000883357416 626659806 /nfs/dbraw/zinc/65/98/06/626659806.db2.gz KVSANBLKPPWBLA-NEPJUHHUSA-N 1 0 308.353 3.486 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883358942 626660138 /nfs/dbraw/zinc/66/01/38/626660138.db2.gz UNCHEXVGSBBTTP-SWLSCSKDSA-N 1 0 322.380 3.356 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883363055 626661681 /nfs/dbraw/zinc/66/16/81/626661681.db2.gz UXAZOLHBSISLHN-CQSZACIVSA-N 1 0 304.390 3.403 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@H+]1CCCC[C@@H]1C ZINC000804330110 626670191 /nfs/dbraw/zinc/67/01/91/626670191.db2.gz LIMQESHKMFFBCP-ZDUSSCGKSA-N 1 0 319.405 3.474 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CCC2(COC2)CC1 ZINC000883391044 626670709 /nfs/dbraw/zinc/67/07/09/626670709.db2.gz AKWLROLGYBLGAH-HYXAFXHYSA-N 1 0 302.374 3.157 20 5 DGBDRO CC(C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000804341130 626671292 /nfs/dbraw/zinc/67/12/92/626671292.db2.gz ZIAIMDFWEWIXHQ-CQSZACIVSA-N 1 0 322.365 3.035 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCC3(COC3)CC2)c1 ZINC000883391820 626671461 /nfs/dbraw/zinc/67/14/61/626671461.db2.gz SGNJACKSAIDJHW-UHFFFAOYSA-N 1 0 310.781 3.297 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1CCCCC1 ZINC000804347187 626671777 /nfs/dbraw/zinc/67/17/77/626671777.db2.gz AKCPCEXZXZQTCB-GFCCVEGCSA-N 1 0 305.378 3.084 20 5 DGBDRO CC[NH+]1CCC(CCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804505727 626688468 /nfs/dbraw/zinc/68/84/68/626688468.db2.gz JBCSMOOPBKJBMY-UHFFFAOYSA-N 1 0 322.365 3.037 20 5 DGBDRO CC1(C)CC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000806170196 626704068 /nfs/dbraw/zinc/70/40/68/626704068.db2.gz WYQXRPLRKVZJSX-INIZCTEOSA-N 1 0 303.406 3.342 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H](C4CC4)C3)c2c1 ZINC000808229945 626806651 /nfs/dbraw/zinc/80/66/51/626806651.db2.gz DWDWIDHMXIMVQO-CQSZACIVSA-N 1 0 300.362 3.024 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000808230018 626806673 /nfs/dbraw/zinc/80/66/73/626806673.db2.gz FPLZAHQNFDJIDU-CQSZACIVSA-N 1 0 314.389 3.332 20 5 DGBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808727537 626854394 /nfs/dbraw/zinc/85/43/94/626854394.db2.gz HCQXYCFUSCJGFD-QWHCGFSZSA-N 1 0 317.389 3.023 20 5 DGBDRO Cc1[nH]c(C2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)[nH+]c1C ZINC000884707368 626932151 /nfs/dbraw/zinc/93/21/51/626932151.db2.gz HYAWEWZKRAUFCO-UHFFFAOYSA-N 1 0 315.377 3.022 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000884717697 626934719 /nfs/dbraw/zinc/93/47/19/626934719.db2.gz JIUYENXEFPIPGY-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO [NH3+]CCN(Cc1coc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000809734358 626943255 /nfs/dbraw/zinc/94/32/55/626943255.db2.gz DUMOVGXSCDBILI-UHFFFAOYSA-N 1 0 311.341 3.306 20 5 DGBDRO CCCN(CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809755781 626947596 /nfs/dbraw/zinc/94/75/96/626947596.db2.gz KUFFZPKWIJQFMU-UHFFFAOYSA-N 1 0 313.829 3.412 20 5 DGBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766462 626948805 /nfs/dbraw/zinc/94/88/05/626948805.db2.gz XYFIINSNHRDQRN-FZMZJTMJSA-N 1 0 311.813 3.020 20 5 DGBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC1(O)CCC1 ZINC000809976910 626964963 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627229799 /nfs/dbraw/zinc/22/97/99/627229799.db2.gz YPDOLURHUFTPEI-UHFFFAOYSA-N 1 0 317.389 3.154 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC000811480435 627279656 /nfs/dbraw/zinc/27/96/56/627279656.db2.gz XVPAWRWMDVNMCZ-ZDUSSCGKSA-N 1 0 319.188 3.418 20 5 DGBDRO CCC[NH+]1CCC(CNc2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000811787926 627322059 /nfs/dbraw/zinc/32/20/59/627322059.db2.gz TWTYFZXUJJIMSL-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000811868984 627331719 /nfs/dbraw/zinc/33/17/19/627331719.db2.gz ZLTWUNZLJKGVKY-GFCCVEGCSA-N 1 0 307.394 3.330 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000812834149 627427110 /nfs/dbraw/zinc/42/71/10/627427110.db2.gz LUFWJSRWZAQFKM-INIZCTEOSA-N 1 0 323.368 3.054 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000813630192 627504514 /nfs/dbraw/zinc/50/45/14/627504514.db2.gz IWBPYOPZCFYCRH-CYBMUJFWSA-N 1 0 303.406 3.214 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000814852658 627598443 /nfs/dbraw/zinc/59/84/43/627598443.db2.gz JPAJZQYMNGYLQY-ZDUSSCGKSA-N 1 0 323.824 3.479 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000814909237 627606352 /nfs/dbraw/zinc/60/63/52/627606352.db2.gz IYVFZFOVPRRIGP-MRXNPFEDSA-N 1 0 323.824 3.479 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553539 627684079 /nfs/dbraw/zinc/68/40/79/627684079.db2.gz CLCFMSYFQRVYJH-WBMJQRKESA-N 1 0 311.385 3.385 20 5 DGBDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000924840735 627686358 /nfs/dbraw/zinc/68/63/58/627686358.db2.gz FXBJIKPJRLKNFC-BBRMVZONSA-N 1 0 310.394 3.023 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588861 627688654 /nfs/dbraw/zinc/68/86/54/627688654.db2.gz AQMSXSYMFRBYFX-WBMJQRKESA-N 1 0 321.421 3.159 20 5 DGBDRO C[C@H]([NH2+]CCc1cccc(F)c1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592258 627689134 /nfs/dbraw/zinc/68/91/34/627689134.db2.gz DFABOTJLZLBDRO-JTQLQIEISA-N 1 0 321.327 3.349 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925629088 627764996 /nfs/dbraw/zinc/76/49/96/627764996.db2.gz LMOZDUVTBAYSKE-OAHLLOKOSA-N 1 0 323.824 3.055 20 5 DGBDRO CC(C)N(Cc1cnn(C)c1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000816487651 627796342 /nfs/dbraw/zinc/79/63/42/627796342.db2.gz TZYGVULNBXDFST-UHFFFAOYSA-N 1 0 322.796 3.392 20 5 DGBDRO C[C@@H]1[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CO[C@H]1C ZINC000926303576 627876646 /nfs/dbraw/zinc/87/66/46/627876646.db2.gz NAEUHSSLYSEDSS-RVBZMBCESA-N 1 0 318.295 3.127 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](C3CCCC3)C2)cc1 ZINC000817283415 627878304 /nfs/dbraw/zinc/87/83/04/627878304.db2.gz VMMKWECNUPLAIK-NVXWUHKLSA-N 1 0 304.390 3.140 20 5 DGBDRO CSC1CC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000926438658 627895844 /nfs/dbraw/zinc/89/58/44/627895844.db2.gz FDKWBCOGUCUUPQ-UHFFFAOYSA-N 1 0 305.403 3.102 20 5 DGBDRO COc1ccnc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000926492474 627903799 /nfs/dbraw/zinc/90/37/99/627903799.db2.gz AUAAEVHYZHANIJ-RYUDHWBXSA-N 1 0 301.346 3.410 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926939888 627985514 /nfs/dbraw/zinc/98/55/14/627985514.db2.gz AXBYPRLTPFOHGI-LLLHUVSDSA-N 1 0 316.401 3.097 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC2CC=CC2)n1 ZINC000926952008 627988393 /nfs/dbraw/zinc/98/83/93/627988393.db2.gz IVTKTBVYADMKQY-LSDHHAIUSA-N 1 0 304.394 3.221 20 5 DGBDRO C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000926964294 627990762 /nfs/dbraw/zinc/99/07/62/627990762.db2.gz RFEYJJIOYVRHEZ-GWCFXTLKSA-N 1 0 319.327 3.128 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000927057080 628004344 /nfs/dbraw/zinc/00/43/44/628004344.db2.gz GEHRTJRPQRDXOW-BHTHQVBYSA-N 1 0 320.389 3.236 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927064329 628006339 /nfs/dbraw/zinc/00/63/39/628006339.db2.gz SKXFFQHHTFCNIH-ABAIWWIYSA-N 1 0 312.373 3.300 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc([N+](=O)[O-])cc1 ZINC000927098904 628014123 /nfs/dbraw/zinc/01/41/23/628014123.db2.gz JPGPJCXOGFLQAJ-LLVKDONJSA-N 1 0 300.362 3.057 20 5 DGBDRO C[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927130000 628022771 /nfs/dbraw/zinc/02/27/71/628022771.db2.gz RIBLXAPAVZZNMZ-OCCSQVGLSA-N 1 0 319.405 3.319 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000819014702 628078054 /nfs/dbraw/zinc/07/80/54/628078054.db2.gz SQVICTHULMXLHO-LEOMRAHMSA-N 1 0 312.369 3.164 20 5 DGBDRO CCc1ccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819087328 628089825 /nfs/dbraw/zinc/08/98/25/628089825.db2.gz UKIOFXZVURTPJT-SFHVURJKSA-N 1 0 314.385 3.023 20 5 DGBDRO Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819088010 628089851 /nfs/dbraw/zinc/08/98/51/628089851.db2.gz FGTXSZBHLYDQEW-BZNIZROVSA-N 1 0 320.414 3.219 20 5 DGBDRO Cc1cc(F)ccc1[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000819259302 628122365 /nfs/dbraw/zinc/12/23/65/628122365.db2.gz GLULMMVVMAMCFI-QGZVFWFLSA-N 1 0 318.348 3.174 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CCC(F)(F)CC2)cc1 ZINC000819290319 628128082 /nfs/dbraw/zinc/12/80/82/628128082.db2.gz YXLUCURVPYONQE-AWEZNQCLSA-N 1 0 314.332 3.043 20 5 DGBDRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928249231 628133187 /nfs/dbraw/zinc/13/31/87/628133187.db2.gz PLIQMBCRRIBRBU-KGLIPLIRSA-N 1 0 319.405 3.037 20 5 DGBDRO CC[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000819372297 628143042 /nfs/dbraw/zinc/14/30/42/628143042.db2.gz YZOQHFLDBPYKJJ-GXFFZTMASA-N 1 0 320.311 3.196 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823591739 628577542 /nfs/dbraw/zinc/57/75/42/628577542.db2.gz MZSZHURAWQWKLO-KDOFPFPSSA-N 1 0 314.385 3.495 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000824716698 628687050 /nfs/dbraw/zinc/68/70/50/628687050.db2.gz XVMGKJYVUYVNQU-BMFZPTHFSA-N 1 0 324.808 3.374 20 5 DGBDRO Cc1ncsc1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824737862 628688398 /nfs/dbraw/zinc/68/83/98/628688398.db2.gz FSJJVMJHFPWUQR-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000824765901 628691391 /nfs/dbraw/zinc/69/13/91/628691391.db2.gz QXJNDTLMDIIZGT-GFCCVEGCSA-N 1 0 319.188 3.277 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825337556 628751714 /nfs/dbraw/zinc/75/17/14/628751714.db2.gz HDVGGRLSTFBYCR-AWEZNQCLSA-N 1 0 311.813 3.163 20 5 DGBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000827716416 628985254 /nfs/dbraw/zinc/98/52/54/628985254.db2.gz ZQGBHUSYJZAHHF-PWSUYJOCSA-N 1 0 305.161 3.169 20 5 DGBDRO CC[C@H]1C[N@H+](CC)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000829126956 629132661 /nfs/dbraw/zinc/13/26/61/629132661.db2.gz RPWPYDCZYDQNPI-NSHDSACASA-N 1 0 320.418 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000829505633 629163756 /nfs/dbraw/zinc/16/37/56/629163756.db2.gz OPFYZSNOXGOXHR-ZDUSSCGKSA-N 1 0 301.321 3.118 20 5 DGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000830365783 629259366 /nfs/dbraw/zinc/25/93/66/629259366.db2.gz OITWBKSDSFCPJR-GFCCVEGCSA-N 1 0 324.352 3.074 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000830989207 629327399 /nfs/dbraw/zinc/32/73/99/629327399.db2.gz UMGFSXXFTAHBFP-IAGOWNOFSA-N 1 0 304.390 3.283 20 5 DGBDRO C[C@@]12C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000831009821 629330579 /nfs/dbraw/zinc/33/05/79/629330579.db2.gz HJANKYQMFSHBSO-FHIRATQRSA-N 1 0 302.349 3.378 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000831307847 629360383 /nfs/dbraw/zinc/36/03/83/629360383.db2.gz GUZYCVIFISNXKL-GJZGRUSLSA-N 1 0 308.353 3.171 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000831321693 629362091 /nfs/dbraw/zinc/36/20/91/629362091.db2.gz QHKRZZNQSMOGCB-YUELXQCFSA-N 1 0 308.353 3.027 20 5 DGBDRO CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000834885326 629797805 /nfs/dbraw/zinc/79/78/05/629797805.db2.gz IGNLXZXKFZAIIQ-DCGLDWPTSA-N 1 0 321.421 3.279 20 5 DGBDRO C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834885889 629797869 /nfs/dbraw/zinc/79/78/69/629797869.db2.gz YTXCNEMXKHKOLZ-PELKAZGASA-N 1 0 318.204 3.412 20 5 DGBDRO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000834901989 629803670 /nfs/dbraw/zinc/80/36/70/629803670.db2.gz CJWAWUOIPJPCOH-LBPRGKRZSA-N 1 0 300.362 3.040 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000837446322 630258799 /nfs/dbraw/zinc/25/87/99/630258799.db2.gz NCGLPGHUONIPSP-GFCCVEGCSA-N 1 0 312.391 3.076 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000840965957 630387551 /nfs/dbraw/zinc/38/75/51/630387551.db2.gz CILCGGNANPJQIG-GXTWGEPZSA-N 1 0 300.786 3.133 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000841088918 630406848 /nfs/dbraw/zinc/40/68/48/630406848.db2.gz FYUIRIRNRGZOSQ-CYBMUJFWSA-N 1 0 309.797 3.013 20 5 DGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])c(F)c1F)Cc1ccccc1 ZINC000842076895 630488694 /nfs/dbraw/zinc/48/86/94/630488694.db2.gz SRZGEKVGPWWYHE-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000842832175 630581829 /nfs/dbraw/zinc/58/18/29/630581829.db2.gz AFCCRVSCNDBDTI-AWEZNQCLSA-N 1 0 320.389 3.180 20 5 DGBDRO C[C@H]1SCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842929615 630594873 /nfs/dbraw/zinc/59/48/73/630594873.db2.gz NZIYGBUEIFZDRV-MLGOLLRUSA-N 1 0 321.446 3.047 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000843045353 630607521 /nfs/dbraw/zinc/60/75/21/630607521.db2.gz NVLFTLVSMHOXRP-ZFWWWQNUSA-N 1 0 323.824 3.212 20 5 DGBDRO CC(C)c1ccc(-c2nc([C@@H]([NH3+])C(C)C)no2)cc1[N+](=O)[O-] ZINC000843154221 630621756 /nfs/dbraw/zinc/62/17/56/630621756.db2.gz OCTUAJOOZLECND-ZDUSSCGKSA-N 1 0 304.350 3.424 20 5 DGBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000843296499 630643160 /nfs/dbraw/zinc/64/31/60/630643160.db2.gz MGXXSBCSROUPDI-SJORKVTESA-N 1 0 316.401 3.305 20 5 DGBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843360514 630649953 /nfs/dbraw/zinc/64/99/53/630649953.db2.gz BCOTUHOPOOXSDS-AGUYFDCRSA-N 1 0 309.797 3.092 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@](C)(O)c1ccccc1 ZINC000846040477 631207668 /nfs/dbraw/zinc/20/76/68/631207668.db2.gz XJUXLTIELRWNEV-YVEFUNNKSA-N 1 0 318.348 3.120 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000848481693 631668495 /nfs/dbraw/zinc/66/84/95/631668495.db2.gz BQLMMKCZOSYXIQ-AWEZNQCLSA-N 1 0 312.373 3.148 20 5 DGBDRO CC1(C)[C@@H]2C[N@@H+](Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)C[C@@H]21 ZINC000848480486 631669002 /nfs/dbraw/zinc/66/90/02/631669002.db2.gz QQHZSNMBZSRTLJ-GASCZTMLSA-N 1 0 312.373 3.004 20 5 DGBDRO CC[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848483035 631669045 /nfs/dbraw/zinc/66/90/45/631669045.db2.gz XMWZVKMVTCARJF-CYBMUJFWSA-N 1 0 300.362 3.148 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCSC(F)(F)F ZINC000848520152 631674567 /nfs/dbraw/zinc/67/45/67/631674567.db2.gz GXQMLCOVSZPFAY-SNVBAGLBSA-N 1 0 306.309 3.425 20 5 DGBDRO Cc1noc(C)c1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848533280 631681810 /nfs/dbraw/zinc/68/18/10/631681810.db2.gz QAIHMQFVTGXKPZ-INIZCTEOSA-N 1 0 315.373 3.409 20 5 DGBDRO Cn1c(Cl)ncc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000848540062 631685095 /nfs/dbraw/zinc/68/50/95/631685095.db2.gz FGBUGCJFRLODOV-UHFFFAOYSA-N 1 0 322.796 3.094 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848557639 631691733 /nfs/dbraw/zinc/69/17/33/631691733.db2.gz GKZKYTRRLKWAAQ-YMRXKLBXSA-N 1 0 319.405 3.175 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848557612 631692140 /nfs/dbraw/zinc/69/21/40/631692140.db2.gz GKZKYTRRLKWAAQ-GOPGUHFVSA-N 1 0 319.405 3.175 20 5 DGBDRO C[C@H](Cc1ccccn1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000848567292 631695852 /nfs/dbraw/zinc/69/58/52/631695852.db2.gz RWQWWZRTGYGDOC-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000848926663 631790707 /nfs/dbraw/zinc/79/07/07/631790707.db2.gz VDTRLAUEMYVKIL-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCc1ccccc1[N+](=O)[O-] ZINC000849088681 631832510 /nfs/dbraw/zinc/83/25/10/631832510.db2.gz SYPBBQXAHRNHCI-AWEZNQCLSA-N 1 0 320.437 3.466 20 5 DGBDRO COc1cncc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000850159101 632068746 /nfs/dbraw/zinc/06/87/46/632068746.db2.gz ALBNCEHYSDLHOD-UHFFFAOYSA-N 1 0 315.373 3.111 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850351731 632121574 /nfs/dbraw/zinc/12/15/74/632121574.db2.gz RZAXMQQNTBCPDX-GFCCVEGCSA-N 1 0 311.813 3.211 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850525006 632180190 /nfs/dbraw/zinc/18/01/90/632180190.db2.gz KJGLHXPNSRPHHS-HIFRSBDPSA-N 1 0 304.390 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000852009379 632538372 /nfs/dbraw/zinc/53/83/72/632538372.db2.gz IEWPODVWAQGMOM-LBPRGKRZSA-N 1 0 301.321 3.118 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCOC(F)F)C2)cc1 ZINC000852134204 632561545 /nfs/dbraw/zinc/56/15/45/632561545.db2.gz AUMHCSJVHFLVFF-GFCCVEGCSA-N 1 0 300.305 3.013 20 5 DGBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852425284 632602550 /nfs/dbraw/zinc/60/25/50/632602550.db2.gz JEQNUEKDWTYHBE-BXUZGUMPSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(CCCC2)C1 ZINC000173820155 659402118 /nfs/dbraw/zinc/40/21/18/659402118.db2.gz AHNAHZQEYYXDIE-CYBMUJFWSA-N 1 0 317.389 3.188 20 5 DGBDRO CC(=O)NCCCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000929337573 660610802 /nfs/dbraw/zinc/61/08/02/660610802.db2.gz HLCVYYUXDUNDMI-UHFFFAOYSA-N 1 0 321.421 3.112 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCCC[C@H]1CCO ZINC000792928459 660994915 /nfs/dbraw/zinc/99/49/15/660994915.db2.gz UBACBDQQGNUOTG-AWEZNQCLSA-N 1 0 312.797 3.375 20 5 DGBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000793042379 661001469 /nfs/dbraw/zinc/00/14/69/661001469.db2.gz MSRAZNAPOGTWCC-VYDXJSESSA-N 1 0 306.406 3.433 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n(C)n1 ZINC000793556298 661045594 /nfs/dbraw/zinc/04/55/94/661045594.db2.gz WTBUSSPJFIKACZ-LLVKDONJSA-N 1 0 322.796 3.183 20 5 DGBDRO CCC(CC)[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000794621868 661094556 /nfs/dbraw/zinc/09/45/56/661094556.db2.gz WBBCIUJVMWJXBA-UHFFFAOYSA-N 1 0 319.361 3.113 20 5 DGBDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000795670501 661166852 /nfs/dbraw/zinc/16/68/52/661166852.db2.gz IOZLXKOPMSIANB-QGZVFWFLSA-N 1 0 314.389 3.193 20 5 DGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000795678530 661167236 /nfs/dbraw/zinc/16/72/36/661167236.db2.gz FMOHHMGYVFMMDC-BZUAXINKSA-N 1 0 312.373 3.017 20 5 DGBDRO Cc1nn(C[NH+]2CCC3(CCC3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000795714165 661169582 /nfs/dbraw/zinc/16/95/82/661169582.db2.gz NUEGYNFTUUOYCH-UHFFFAOYSA-N 1 0 314.389 3.477 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444026 655659023 /nfs/dbraw/zinc/65/90/23/655659023.db2.gz SNMLGVMFVSKPLZ-GFCCVEGCSA-N 1 0 311.813 3.068 20 5 DGBDRO C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000235645675 655920861 /nfs/dbraw/zinc/92/08/61/655920861.db2.gz VEZMHMSCAZAGGF-CPCISQLKSA-N 1 0 304.177 3.075 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000715919452 661216024 /nfs/dbraw/zinc/21/60/24/661216024.db2.gz TYWFROZZLIUVMC-TZMCWYRMSA-N 1 0 322.405 3.343 20 5 DGBDRO CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000023991693 656051851 /nfs/dbraw/zinc/05/18/51/656051851.db2.gz CGEKOTGQOVKLDB-JTQLQIEISA-N 1 0 313.785 3.307 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[N+](=O)[O-])ccc1OCCC(C)C ZINC000930208142 661236490 /nfs/dbraw/zinc/23/64/90/661236490.db2.gz KODSICMZNGFWJA-ZDUSSCGKSA-N 1 0 310.394 3.047 20 5 DGBDRO C[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178864224 657092751 /nfs/dbraw/zinc/09/27/51/657092751.db2.gz ZEYUEXYHZJSUCS-UGSOOPFHSA-N 1 0 312.369 3.075 20 5 DGBDRO CC[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000054521061 658439595 /nfs/dbraw/zinc/43/95/95/658439595.db2.gz APZKVFQENYOAKF-UHFFFAOYSA-N 1 0 315.377 3.075 20 5 DGBDRO CC[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000054521050 658440018 /nfs/dbraw/zinc/44/00/18/658440018.db2.gz RALCVLUUAYOUSP-UHFFFAOYSA-N 1 0 315.377 3.075 20 5 DGBDRO CC(C)CCOCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000045094055 658942626 /nfs/dbraw/zinc/94/26/26/658942626.db2.gz KSXKSOSQHGXPKK-UHFFFAOYSA-N 1 0 300.786 3.401 20 5 DGBDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000058539307 659086223 /nfs/dbraw/zinc/08/62/23/659086223.db2.gz SEHWHNPABPDDCT-DLBZAZTESA-N 1 0 314.389 3.407 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000172178957 659323337 /nfs/dbraw/zinc/32/33/37/659323337.db2.gz VHNGVEAMENMWKR-OAHLLOKOSA-N 1 0 323.824 3.308 20 5 DGBDRO CCOc1ccc([C@@H]([NH2+]CC[N+](=O)[O-])C(C)C)cc1OCC ZINC000930186775 661375606 /nfs/dbraw/zinc/37/56/06/661375606.db2.gz FISADSVNEMAPPS-INIZCTEOSA-N 1 0 310.394 3.047 20 5 DGBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000930215126 661378799 /nfs/dbraw/zinc/37/87/99/661378799.db2.gz YLUUYCMHMCWJGN-CYBMUJFWSA-N 1 0 318.348 3.332 20 5 DGBDRO Cc1c(C[NH+]2CCC(c3ncco3)CC2)cccc1[N+](=O)[O-] ZINC000931452654 661478000 /nfs/dbraw/zinc/47/80/00/661478000.db2.gz TXMKCOYDRKONTE-UHFFFAOYSA-N 1 0 301.346 3.271 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1[N+](=O)[O-] ZINC000931617029 661493153 /nfs/dbraw/zinc/49/31/53/661493153.db2.gz IMMDDGPZWJGAAE-GBIKHYSHSA-N 1 0 318.295 3.355 20 5 DGBDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000932275372 661555832 /nfs/dbraw/zinc/55/58/32/661555832.db2.gz OXOFTKJHZBHBOP-CJNGLKHVSA-N 1 0 314.389 3.096 20 5 DGBDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932277844 661556000 /nfs/dbraw/zinc/55/60/00/661556000.db2.gz LEPSFQHXNYFHMK-GDBMZVCRSA-N 1 0 314.389 3.059 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c(F)c1 ZINC000933076864 661616017 /nfs/dbraw/zinc/61/60/17/661616017.db2.gz CFNSJHTXZINJAB-CQSZACIVSA-N 1 0 322.380 3.373 20 5 DGBDRO CCOc1cc(C[NH2+]C2([C@H]3CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC000933374462 661631474 /nfs/dbraw/zinc/63/14/74/661631474.db2.gz BNVFQARJSABJMT-MRXNPFEDSA-N 1 0 320.389 3.185 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1CN(Cc1ccoc1)C1CC1 ZINC000934003256 661673108 /nfs/dbraw/zinc/67/31/08/661673108.db2.gz DXVNIOZXTVFLHR-UHFFFAOYSA-N 1 0 302.330 3.361 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934333584 661697939 /nfs/dbraw/zinc/69/79/39/661697939.db2.gz KVMZAMISLBNJGH-ZDUSSCGKSA-N 1 0 303.387 3.116 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cs1 ZINC000934838014 661739505 /nfs/dbraw/zinc/73/95/05/661739505.db2.gz YDZLGQXJPIKKSL-ZIAGYGMSSA-N 1 0 310.419 3.295 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000934840115 661740267 /nfs/dbraw/zinc/74/02/67/661740267.db2.gz BDFLCVKNRKTUFP-JKSUJKDBSA-N 1 0 304.390 3.233 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934840907 661740449 /nfs/dbraw/zinc/74/04/49/661740449.db2.gz GKCDHDNRCXKIHR-UONOGXRCSA-N 1 0 322.380 3.373 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000936033155 661827565 /nfs/dbraw/zinc/82/75/65/661827565.db2.gz LADKTRFFIYJGFO-AWEZNQCLSA-N 1 0 305.378 3.023 20 5 DGBDRO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000089092102 662237664 /nfs/dbraw/zinc/23/76/64/662237664.db2.gz FOIDRRNTOZTFFS-LDYMZIIASA-N 1 0 303.284 3.153 20 5 DGBDRO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000089092104 662237725 /nfs/dbraw/zinc/23/77/25/662237725.db2.gz FOIDRRNTOZTFFS-GZMMTYOYSA-N 1 0 303.284 3.153 20 5 DGBDRO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000089092103 662237747 /nfs/dbraw/zinc/23/77/47/662237747.db2.gz FOIDRRNTOZTFFS-KCJUWKMLSA-N 1 0 303.284 3.153 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000246338044 662254518 /nfs/dbraw/zinc/25/45/18/662254518.db2.gz UGUTVPCKGDUYDQ-RRQGHBQHSA-N 1 0 304.390 3.283 20 5 DGBDRO C[C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000038028868 662271155 /nfs/dbraw/zinc/27/11/55/662271155.db2.gz WFVKEQJGAZIXQU-LBPRGKRZSA-N 1 0 311.813 3.212 20 5 DGBDRO CCCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000093633619 662357400 /nfs/dbraw/zinc/35/74/00/662357400.db2.gz HZYJKTOYNYCGBT-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cn1cc(Cl)cn1 ZINC000066370730 685055468 /nfs/dbraw/zinc/05/54/68/685055468.db2.gz NLAQRZFAGCUEKD-UHFFFAOYSA-N 1 0 308.769 3.313 20 5 DGBDRO Cc1c(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)c(F)ccc1[N+](=O)[O-] ZINC001579544007 1191979729 /nfs/dbraw/zinc/97/97/29/1191979729.db2.gz OCUYFKOYSWCCBF-SNVBAGLBSA-N 1 0 317.320 3.314 20 5 DGBDRO Cc1cc(NC[C@H]2Cc3ccccc3C[NH2+]2)c(F)cc1[N+](=O)[O-] ZINC001579636159 1191983458 /nfs/dbraw/zinc/98/34/58/1191983458.db2.gz UGHRJZMTRTURPK-CQSZACIVSA-N 1 0 315.348 3.169 20 5 DGBDRO [NH3+][C@H](CNc1nccc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC001580131938 1192009579 /nfs/dbraw/zinc/00/95/79/1192009579.db2.gz JSNWTWCAHKOIAV-OAHLLOKOSA-N 1 0 308.341 3.255 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC001620591920 1192021680 /nfs/dbraw/zinc/02/16/80/1192021680.db2.gz UTEJALPBRIJQBZ-MGPQQGTHSA-N 1 0 319.405 3.290 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(OC[C@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC001580875004 1192043340 /nfs/dbraw/zinc/04/33/40/1192043340.db2.gz TVHSCAVOXFARAO-VIFPVBQESA-N 1 0 302.733 3.156 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@]23CCC[C@@H]2[NH2+]CC3)cc1C(F)(F)F ZINC001580876035 1192043489 /nfs/dbraw/zinc/04/34/89/1192043489.db2.gz XSGSXXRYDURVSI-STQMWFEESA-N 1 0 315.295 3.310 20 5 DGBDRO COc1ccccc1/C=C/C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001620920567 1192609806 /nfs/dbraw/zinc/60/98/06/1192609806.db2.gz UNGNDRBAIIJTFB-RMKNXTFCSA-N 1 0 312.369 3.449 20 5 DGBDRO CN(C)c1ccc(F)cc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001620920551 1192610331 /nfs/dbraw/zinc/61/03/31/1192610331.db2.gz UACVFTXDZULRRE-UHFFFAOYSA-N 1 0 317.364 3.132 20 5 DGBDRO O=[N+]([O-])CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001332996762 1178536601 /nfs/dbraw/zinc/53/66/01/1178536601.db2.gz RTMWQBNRGOANRM-YPMHNXCESA-N 1 0 302.296 3.208 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001334972718 1178836224 /nfs/dbraw/zinc/83/62/24/1178836224.db2.gz JMEILAQTWCQWOF-KBPBESRZSA-N 1 0 311.813 3.211 20 5 DGBDRO Cc1cc(N2CCCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])s1 ZINC001335544304 1178929541 /nfs/dbraw/zinc/92/95/41/1178929541.db2.gz SVWNFQBYINGMSD-UHFFFAOYSA-N 1 0 318.402 3.076 20 5 DGBDRO Cc1ccc(OC(=O)c2ccc3c[nH+]cn3c2C)c([N+](=O)[O-])c1 ZINC001343464455 1179280115 /nfs/dbraw/zinc/28/01/15/1179280115.db2.gz YGXSUMOPSIBTGD-UHFFFAOYSA-N 1 0 311.297 3.079 20 5 DGBDRO [NH3+]CC[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC001345000332 1179508863 /nfs/dbraw/zinc/50/88/63/1179508863.db2.gz TVXUWQLZECQGLV-AWEZNQCLSA-N 1 0 319.408 3.199 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn3ccnc3s2)cc1[N+](=O)[O-] ZINC001345077030 1179523182 /nfs/dbraw/zinc/52/31/82/1179523182.db2.gz PDLBROUODLPCBV-LLVKDONJSA-N 1 0 316.386 3.463 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC(C)(C)C2(C)C)c1 ZINC001346116352 1179656813 /nfs/dbraw/zinc/65/68/13/1179656813.db2.gz JPMYKZFUHPVVEA-UHFFFAOYSA-N 1 0 306.362 3.002 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(CC2CCOCC2)C1 ZINC001350330385 1180054810 /nfs/dbraw/zinc/05/48/10/1180054810.db2.gz VEJVCHYOHGSYAK-HWKANZROSA-N 1 0 316.401 3.357 20 5 DGBDRO CC[C@@H]([NH2+]CCc1ccc(OC)nc1)c1cccc([N+](=O)[O-])c1 ZINC001351354808 1180203669 /nfs/dbraw/zinc/20/36/69/1180203669.db2.gz ZYBXAFIUKVJBEV-MRXNPFEDSA-N 1 0 315.373 3.282 20 5 DGBDRO C[NH+]1CCC(Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001353200674 1180492302 /nfs/dbraw/zinc/49/23/02/1180492302.db2.gz GGNSIXMNLGNCJH-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1F ZINC001200801813 1180921354 /nfs/dbraw/zinc/92/13/54/1180921354.db2.gz BZDFFGXTLVCJNF-IAGOWNOFSA-N 1 0 318.348 3.336 20 5 DGBDRO C[C@H]1CCC[C@](CNc2ncc([N+](=O)[O-])cc2F)([NH+](C)C)C1 ZINC001458120966 1182498708 /nfs/dbraw/zinc/49/87/08/1182498708.db2.gz LQZKJBPNFVHCBV-NHYWBVRUSA-N 1 0 310.373 3.051 20 5 DGBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]1 ZINC001458555795 1182538732 /nfs/dbraw/zinc/53/87/32/1182538732.db2.gz SOGFMRVVISTSJM-JTQLQIEISA-N 1 0 317.311 3.192 20 5 DGBDRO C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459936323 1182630639 /nfs/dbraw/zinc/63/06/39/1182630639.db2.gz NTCWWPLCORAMMX-TZMCWYRMSA-N 1 0 323.462 3.399 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC001460097911 1182650999 /nfs/dbraw/zinc/65/09/99/1182650999.db2.gz IXZKGYHRAAVRGO-QWHCGFSZSA-N 1 0 320.389 3.392 20 5 DGBDRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001460766423 1182719274 /nfs/dbraw/zinc/71/92/74/1182719274.db2.gz ZMTPAXZHJFBIIH-QFBILLFUSA-N 1 0 324.380 3.377 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCOC23CCCCC3)cc1[N+](=O)[O-] ZINC001460886518 1182735982 /nfs/dbraw/zinc/73/59/82/1182735982.db2.gz DWJNLKWLJXBLPW-INIZCTEOSA-N 1 0 304.390 3.485 20 5 DGBDRO CC(C)[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001460978327 1182749570 /nfs/dbraw/zinc/74/95/70/1182749570.db2.gz POPTYJIVCQGXLY-NSHDSACASA-N 1 0 307.177 3.008 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCNc1ccccc1 ZINC001461264858 1182790214 /nfs/dbraw/zinc/79/02/14/1182790214.db2.gz QYLYAYQYZWCODL-UHFFFAOYSA-N 1 0 315.373 3.195 20 5 DGBDRO CC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CCCCC1 ZINC001462016359 1182895570 /nfs/dbraw/zinc/89/55/70/1182895570.db2.gz HILXPXURCGCJRD-UHFFFAOYSA-N 1 0 308.378 3.464 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)C2CCCCCC2)c1[N+](=O)[O-] ZINC001462029288 1182896708 /nfs/dbraw/zinc/89/67/08/1182896708.db2.gz NGMWJBPUOZVMOI-UHFFFAOYSA-N 1 0 308.378 3.464 20 5 DGBDRO Cc1cnc([C@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC001462064784 1182903339 /nfs/dbraw/zinc/90/33/39/1182903339.db2.gz MPRQJEOCABODTG-SECBINFHSA-N 1 0 309.366 3.392 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001462273141 1182930844 /nfs/dbraw/zinc/93/08/44/1182930844.db2.gz UNKCQXLUKDEGBX-VXGBXAGGSA-N 1 0 308.378 3.225 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC(Cc2ccco2)C1 ZINC001462427631 1182951868 /nfs/dbraw/zinc/95/18/68/1182951868.db2.gz LJSPGDYEWQMTPM-UHFFFAOYSA-N 1 0 300.358 3.479 20 5 DGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001472776467 1183680506 /nfs/dbraw/zinc/68/05/06/1183680506.db2.gz VHHCESHBUITPKV-AWEZNQCLSA-N 1 0 322.365 3.035 20 5 DGBDRO Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC001472848311 1183689804 /nfs/dbraw/zinc/68/98/04/1183689804.db2.gz ZNCDUECKBWCOCR-ZDUSSCGKSA-N 1 0 307.369 3.471 20 5 DGBDRO Cc1ccc(N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)c([N+](=O)[O-])c1 ZINC001472903489 1183698643 /nfs/dbraw/zinc/69/86/43/1183698643.db2.gz GEKULCGPQOCVHS-HDICACEKSA-N 1 0 315.417 3.215 20 5 DGBDRO CCC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001473540328 1183771368 /nfs/dbraw/zinc/77/13/68/1183771368.db2.gz GZKKFSHMEVSYLF-INIZCTEOSA-N 1 0 319.405 3.482 20 5 DGBDRO Cc1ccc(CN2CC[N@@H+](C)[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001473600282 1183779836 /nfs/dbraw/zinc/77/98/36/1183779836.db2.gz YNIAXUWZDVZRHM-INIZCTEOSA-N 1 0 305.422 3.065 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001473665528 1183787777 /nfs/dbraw/zinc/78/77/77/1183787777.db2.gz GPRNWWZXEAPDJC-UHFFFAOYSA-N 1 0 313.829 3.458 20 5 DGBDRO CCC1(CC)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001473769601 1183799843 /nfs/dbraw/zinc/79/98/43/1183799843.db2.gz KGMJBVGMDIKFTR-UHFFFAOYSA-N 1 0 319.405 3.212 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)c1 ZINC001473884442 1183819180 /nfs/dbraw/zinc/81/91/80/1183819180.db2.gz IUQBFGJLVIRFDU-IRXDYDNUSA-N 1 0 320.389 3.007 20 5 DGBDRO CCCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001473940284 1183833419 /nfs/dbraw/zinc/83/34/19/1183833419.db2.gz WEANYPJFLSRVKW-LBPRGKRZSA-N 1 0 302.378 3.361 20 5 DGBDRO Cc1c(CNCC[N@@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC001473962259 1183838691 /nfs/dbraw/zinc/83/86/91/1183838691.db2.gz AZUSOUYYTAGGRB-UHFFFAOYSA-N 1 0 305.422 3.257 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001474257619 1183890477 /nfs/dbraw/zinc/89/04/77/1183890477.db2.gz QCRIHMWCEALPJY-ROCHPLJESA-N 1 0 304.390 3.403 20 5 DGBDRO Cc1nc2c(cccc2CC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001474258869 1183891229 /nfs/dbraw/zinc/89/12/29/1183891229.db2.gz RFUONITTZBVXNY-UHFFFAOYSA-N 1 0 311.341 3.377 20 5 DGBDRO CO[C@@](C)(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC001474318269 1183903760 /nfs/dbraw/zinc/90/37/60/1183903760.db2.gz CNSRGDDGMREDQO-KRWDZBQOSA-N 1 0 304.390 3.374 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC001474391311 1183914613 /nfs/dbraw/zinc/91/46/13/1183914613.db2.gz LOKGLCSWXMUIEB-WMLDXEAASA-N 1 0 306.406 3.195 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC001474420000 1183918413 /nfs/dbraw/zinc/91/84/13/1183918413.db2.gz NNRYBWYUFAVNTM-MZMPZRCHSA-N 1 0 318.417 3.463 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1CO ZINC001474519984 1183934964 /nfs/dbraw/zinc/93/49/64/1183934964.db2.gz ACXGKCKUNAZPRP-PRHODGIISA-N 1 0 319.188 3.152 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001611860912 1193442250 /nfs/dbraw/zinc/44/22/50/1193442250.db2.gz MGHHJZHLAHYPKV-CYBMUJFWSA-N 1 0 318.421 3.012 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001516620812 1186788038 /nfs/dbraw/zinc/78/80/38/1186788038.db2.gz GACXMFMEVNCNTO-GFCCVEGCSA-N 1 0 317.393 3.070 20 5 DGBDRO CC1(C)CC[N@H+](CCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC001613056883 1193466675 /nfs/dbraw/zinc/46/66/75/1193466675.db2.gz OWXYPWWAGCEFHB-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@@H]([NH2+]C[Si](C)(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001616700318 1193545622 /nfs/dbraw/zinc/54/56/22/1193545622.db2.gz UDXJJZWQMKKVDU-CQSZACIVSA-N 1 0 314.461 3.400 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001617207032 1193562186 /nfs/dbraw/zinc/56/21/86/1193562186.db2.gz MXBMNSDKEMLVNM-TZMCWYRMSA-N 1 0 308.378 3.151 20 5 DGBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC001617359235 1193566647 /nfs/dbraw/zinc/56/66/47/1193566647.db2.gz FEVDTEWSCULCKM-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC001617464583 1193570496 /nfs/dbraw/zinc/57/04/96/1193570496.db2.gz GOKMWIWYBUZWDR-GOSISDBHSA-N 1 0 319.449 3.332 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC2(CCC2)CO1 ZINC001617465857 1193570638 /nfs/dbraw/zinc/57/06/38/1193570638.db2.gz VAOXBZHQIBBORK-MRXNPFEDSA-N 1 0 304.390 3.028 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c1 ZINC001617798370 1193581317 /nfs/dbraw/zinc/58/13/17/1193581317.db2.gz BUKPIBMTJNVRDL-ATCWAGBWSA-N 1 0 320.389 3.296 20 5 DGBDRO CC(C)[NH+](CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)C(C)C ZINC001559050839 1189166542 /nfs/dbraw/zinc/16/65/42/1189166542.db2.gz YTWBYPJYJMVACM-UHFFFAOYSA-N 1 0 320.437 3.399 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1(C)C ZINC001559219589 1189182296 /nfs/dbraw/zinc/18/22/96/1189182296.db2.gz TXZOOAVKJVWNQK-LSDHHAIUSA-N 1 0 314.389 3.284 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001559235060 1189184214 /nfs/dbraw/zinc/18/42/14/1189184214.db2.gz VNQUNLXOMNMXIN-GFCCVEGCSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1cnc(N(C)CCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001559266128 1189188871 /nfs/dbraw/zinc/18/88/71/1189188871.db2.gz PNPOWQRBBMWFGE-UHFFFAOYSA-N 1 0 306.410 3.001 20 5 DGBDRO CC(C)CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001559264053 1189189049 /nfs/dbraw/zinc/18/90/49/1189189049.db2.gz PHXYXAPKWCFSHO-UHFFFAOYSA-N 1 0 305.422 3.399 20 5 DGBDRO CC[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H]1C ZINC001559769760 1189240332 /nfs/dbraw/zinc/24/03/32/1189240332.db2.gz SEKDNZHKORNMRI-VXGBXAGGSA-N 1 0 306.362 3.002 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001559921877 1189258169 /nfs/dbraw/zinc/25/81/69/1189258169.db2.gz USRGQWAJMSMQBK-CHWSQXEVSA-N 1 0 307.350 3.417 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C1CCCC1)C1CCCC1 ZINC001560164124 1189286577 /nfs/dbraw/zinc/28/65/77/1189286577.db2.gz LVPKRDHOZKWDES-UHFFFAOYSA-N 1 0 320.437 3.438 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC001560291237 1189306690 /nfs/dbraw/zinc/30/66/90/1189306690.db2.gz IFMSBWRVBKKONU-VIFPVBQESA-N 1 0 300.305 3.332 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc3ccccn23)cc1[N+](=O)[O-] ZINC001560357668 1189317275 /nfs/dbraw/zinc/31/72/75/1189317275.db2.gz UCYMEQLOQGASGD-ZDUSSCGKSA-N 1 0 310.357 3.402 20 5 DGBDRO CC(C)(C)[C@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001560382633 1189320826 /nfs/dbraw/zinc/32/08/26/1189320826.db2.gz LEVNXSGNZXBADW-UONOGXRCSA-N 1 0 308.426 3.376 20 5 DGBDRO CC[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001561014961 1189420436 /nfs/dbraw/zinc/42/04/36/1189420436.db2.gz HGTQOSWVTMOZSN-CQSZACIVSA-N 1 0 322.405 3.095 20 5 DGBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1=CCOCC1 ZINC001561049604 1189426670 /nfs/dbraw/zinc/42/66/70/1189426670.db2.gz ZSCARGGHCBTPMW-UHFFFAOYSA-N 1 0 304.390 3.100 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001575967111 1191521470 /nfs/dbraw/zinc/52/14/70/1191521470.db2.gz VAWZUILTZOWFLR-ZBFHGGJFSA-N 1 0 319.449 3.284 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC=CC23CCCCC3)c1 ZINC001620681229 1193790108 /nfs/dbraw/zinc/79/01/08/1193790108.db2.gz FXWNIQKNHMPYBK-INIZCTEOSA-N 1 0 302.374 3.203 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccc([N+](=O)[O-])cc1 ZINC001621066512 1193798261 /nfs/dbraw/zinc/79/82/61/1193798261.db2.gz QUUPIUJVKDNGBL-LLVKDONJSA-N 1 0 312.329 3.429 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(Br)CC1 ZINC001621549167 1193857113 /nfs/dbraw/zinc/85/71/13/1193857113.db2.gz FPEHLXPOZOHNLI-UHFFFAOYSA-N 1 0 319.586 3.265 20 5 DGBDRO CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001623189442 1193921710 /nfs/dbraw/zinc/92/17/10/1193921710.db2.gz IPGACNDQKJHKOI-OAHLLOKOSA-N 1 0 321.421 3.140 20 5 DGBDRO CCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001639453371 1194767191 /nfs/dbraw/zinc/76/71/91/1194767191.db2.gz FHBVGZRAEPBAMY-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO C[NH2+]C1(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC1 ZINC001642702400 1194930614 /nfs/dbraw/zinc/93/06/14/1194930614.db2.gz LVWJVBMTTVGEAH-UHFFFAOYSA-N 1 0 303.284 3.168 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1(C)C ZINC001642841495 1194946564 /nfs/dbraw/zinc/94/65/64/1194946564.db2.gz SQLLKKGADGBDCB-CHWSQXEVSA-N 1 0 320.418 3.345 20 5 DGBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC001642938078 1194955348 /nfs/dbraw/zinc/95/53/48/1194955348.db2.gz JQMXIGPSKMEOAF-HUUCEWRRSA-N 1 0 322.405 3.111 20 5 DGBDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001644444311 1195108589 /nfs/dbraw/zinc/10/85/89/1195108589.db2.gz ZPEDBWHATRWOQB-INIZCTEOSA-N 1 0 306.406 3.417 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ncccn2)CC1 ZINC001644577711 1195117957 /nfs/dbraw/zinc/11/79/57/1195117957.db2.gz MRHNWJFNJOUYCE-CYBMUJFWSA-N 1 0 312.373 3.325 20 5 DGBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C1CCCC1 ZINC001648327079 1195292379 /nfs/dbraw/zinc/29/23/79/1195292379.db2.gz ADIIEZLTEAFEGZ-CYBMUJFWSA-N 1 0 321.396 3.183 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001648442327 1195301178 /nfs/dbraw/zinc/30/11/78/1195301178.db2.gz GYZCFGVNLXOQRP-KBPBESRZSA-N 1 0 312.373 3.244 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001651114555 1195416297 /nfs/dbraw/zinc/41/62/97/1195416297.db2.gz UKMNPSALRFKURI-CYBMUJFWSA-N 1 0 320.437 3.401 20 5 DGBDRO Cc1ccc(N2CCC(C)([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001651306473 1195442234 /nfs/dbraw/zinc/44/22/34/1195442234.db2.gz SNBORYHWJXZTJX-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO C[NH+](C)[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1(C)C ZINC001651972612 1195530596 /nfs/dbraw/zinc/53/05/96/1195530596.db2.gz HKVRLHSAJGFIDO-GJZGRUSLSA-N 1 0 314.389 3.284 20 5 DGBDRO CN(CCCC[NH+]1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC001652162885 1195556263 /nfs/dbraw/zinc/55/62/63/1195556263.db2.gz VWWWMRQJRGYUJW-UHFFFAOYSA-N 1 0 309.385 3.436 20 5 DGBDRO C[C@H]1CCC[C@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001652526041 1195612138 /nfs/dbraw/zinc/61/21/38/1195612138.db2.gz FHPIEKFVJODWOV-KBPBESRZSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@@H]1CCCC[C@H]1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001652628321 1195628607 /nfs/dbraw/zinc/62/86/07/1195628607.db2.gz NAOQYVOKFGBLHY-KGLIPLIRSA-N 1 0 304.390 3.484 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001652654604 1195633084 /nfs/dbraw/zinc/63/30/84/1195633084.db2.gz MQJCLIFMTZJUAY-RVDBLKIQSA-N 1 0 316.401 3.355 20 5 DGBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001652862599 1195662667 /nfs/dbraw/zinc/66/26/67/1195662667.db2.gz XPVIAVICXDECPA-UHFFFAOYSA-N 1 0 316.704 3.148 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cccc2ccccc21 ZINC001653166255 1195694680 /nfs/dbraw/zinc/69/46/80/1195694680.db2.gz GVAFYARJOCLQBB-UHFFFAOYSA-N 1 0 324.384 3.385 20 5 DGBDRO O=[N+]([O-])CC[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC001653577423 1195736212 /nfs/dbraw/zinc/73/62/12/1195736212.db2.gz CADWJBVPFKROMY-UHFFFAOYSA-N 1 0 302.296 3.194 20 5 DGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC(C)(C)CC(C)(C)C1 ZINC001654181008 1195781856 /nfs/dbraw/zinc/78/18/56/1195781856.db2.gz CKBIPVIIBFLOOZ-UHFFFAOYSA-N 1 0 308.426 3.328 20 5 DGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001654402280 1195799598 /nfs/dbraw/zinc/79/95/98/1195799598.db2.gz ZHHVXUBPJFDRLI-UKRRQHHQSA-N 1 0 310.419 3.367 20 5 DGBDRO CC(C)(C)[C@@H]1CSCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001654630718 1195824925 /nfs/dbraw/zinc/82/49/25/1195824925.db2.gz XFRUSRQVXRNZJF-HNNXBMFYSA-N 1 0 324.446 3.437 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H](C)C(C)(C)C)c1 ZINC001654730403 1195833500 /nfs/dbraw/zinc/83/35/00/1195833500.db2.gz NANDQLFRDDFHAP-LBPRGKRZSA-N 1 0 322.405 3.495 20 5 DGBDRO CCCCC1([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC001655045354 1195869262 /nfs/dbraw/zinc/86/92/62/1195869262.db2.gz GLNXUVOFJCVTDP-UHFFFAOYSA-N 1 0 306.362 3.194 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+]C2([C@H]3CCCO3)CCC2)cc1 ZINC001655101365 1195876129 /nfs/dbraw/zinc/87/61/29/1195876129.db2.gz LLYQXWAUFQOOMY-MRXNPFEDSA-N 1 0 320.389 3.055 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)nc1 ZINC001655775311 1195961525 /nfs/dbraw/zinc/96/15/25/1195961525.db2.gz GSFDXSMMSQIFAB-AWEZNQCLSA-N 1 0 304.394 3.199 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001655799803 1195964015 /nfs/dbraw/zinc/96/40/15/1195964015.db2.gz NGVLBDFMONFNSR-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO C[N@@H+]1C[C@@]23CN(c4ccc([N+](=O)[O-])cc4F)C[C@]2(C1)CCCC3 ZINC001655955560 1195982738 /nfs/dbraw/zinc/98/27/38/1195982738.db2.gz NEOKCOYTZSLHEK-CALCHBBNSA-N 1 0 319.380 3.046 20 5 DGBDRO CC[N@H+](C)[C@H]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001655961221 1195983384 /nfs/dbraw/zinc/98/33/84/1195983384.db2.gz BPKFWMKSGJFPJH-VIFPVBQESA-N 1 0 318.204 3.432 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1nc2c(s1)CCCC2 ZINC001656178353 1196014830 /nfs/dbraw/zinc/01/48/30/1196014830.db2.gz UNXZPYHSFPLBLP-UHFFFAOYSA-N 1 0 317.414 3.262 20 5 DGBDRO CC1(C)CCC[C@@](O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001656776742 1196070668 /nfs/dbraw/zinc/07/06/68/1196070668.db2.gz PULVEKLLGPYYCS-KRWDZBQOSA-N 1 0 306.406 3.406 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cnc(C)s1 ZINC001656958979 1196087384 /nfs/dbraw/zinc/08/73/84/1196087384.db2.gz BOMSBOXRUUWNQY-UHFFFAOYSA-N 1 0 321.402 3.091 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnc(Cl)c(F)c2)c1 ZINC001657092020 1196104411 /nfs/dbraw/zinc/10/44/11/1196104411.db2.gz FNMYPMHTMPGHCY-UHFFFAOYSA-N 1 0 309.728 3.115 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2nonc2c1 ZINC001657098709 1196105691 /nfs/dbraw/zinc/10/56/91/1196105691.db2.gz AGLYGCBFFHHRIZ-KPKJPENVSA-N 1 0 324.340 3.324 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2nccnc2c1 ZINC001657882270 1196190932 /nfs/dbraw/zinc/19/09/32/1196190932.db2.gz MFCFMHCUUCVVMN-UHFFFAOYSA-N 1 0 322.368 3.213 20 5 DGBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001657911579 1196193253 /nfs/dbraw/zinc/19/32/53/1196193253.db2.gz BRQQJMLALKQZDN-CYBMUJFWSA-N 1 0 322.405 3.350 20 5 DGBDRO COc1ccccc1C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001657946510 1196195619 /nfs/dbraw/zinc/19/56/19/1196195619.db2.gz UVKUNOTWONUORT-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001658075953 1196209314 /nfs/dbraw/zinc/20/93/14/1196209314.db2.gz JVOLBIOPSVMCGA-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC001658112256 1196213249 /nfs/dbraw/zinc/21/32/49/1196213249.db2.gz RNGCCTBJXGXBKV-HNNXBMFYSA-N 1 0 322.405 3.431 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC001658347506 1196245282 /nfs/dbraw/zinc/24/52/82/1196245282.db2.gz TVPKWUNDKUUMBZ-OCCSQVGLSA-N 1 0 320.389 3.225 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC001658796019 1196302651 /nfs/dbraw/zinc/30/26/51/1196302651.db2.gz XNYVYUXLQHIILP-GFCCVEGCSA-N 1 0 320.389 3.321 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC001659076293 1196341921 /nfs/dbraw/zinc/34/19/21/1196341921.db2.gz FPKLCTQFAUXBDZ-HNNXBMFYSA-N 1 0 304.390 3.486 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC001659104070 1196345158 /nfs/dbraw/zinc/34/51/58/1196345158.db2.gz KUXHZMKXZZOJFF-NEPJUHHUSA-N 1 0 308.378 3.320 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC001659266276 1196365531 /nfs/dbraw/zinc/36/55/31/1196365531.db2.gz VGIYIEYUEBTTOH-NVXWUHKLSA-N 1 0 320.433 3.441 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001659422321 1196382269 /nfs/dbraw/zinc/38/22/69/1196382269.db2.gz MTHYAGMSDQHWMA-QMCVQRASSA-N 1 0 318.417 3.463 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O)(C(C)C)CC1 ZINC001660627126 1196505788 /nfs/dbraw/zinc/50/57/88/1196505788.db2.gz ZVOCKAWWEODUIJ-AWEZNQCLSA-N 1 0 306.406 3.447 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@]23CCCOC3)cc1F ZINC001660700385 1196513621 /nfs/dbraw/zinc/51/36/21/1196513621.db2.gz HVWMEWVPFNEKDB-INIZCTEOSA-N 1 0 308.353 3.269 20 5 DGBDRO COc1nc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1C ZINC001660792892 1196524725 /nfs/dbraw/zinc/52/47/25/1196524725.db2.gz MKNOYPFRHYTQAH-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO CC(C)c1ccc(CNCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC001661615955 1196624891 /nfs/dbraw/zinc/62/48/91/1196624891.db2.gz ICPAIIODTWFIMG-CQSZACIVSA-N 1 0 305.422 3.292 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCC(C)(C)C[NH+]1CCCC1 ZINC001662361047 1196711935 /nfs/dbraw/zinc/71/19/35/1196711935.db2.gz QVPHKVTYMWRMTP-UHFFFAOYSA-N 1 0 319.449 3.423 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC001663405302 1196859835 /nfs/dbraw/zinc/85/98/35/1196859835.db2.gz NLZXHKZFVLFYDM-SOHPYSCWSA-N 1 0 324.446 3.107 20 5 DGBDRO [NH3+]CCCN(CCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC001663994012 1196963587 /nfs/dbraw/zinc/96/35/87/1196963587.db2.gz GONMOZLUHPFWLR-UHFFFAOYSA-N 1 0 317.364 3.132 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1CO ZINC001664716291 1197042288 /nfs/dbraw/zinc/04/22/88/1197042288.db2.gz GKBXEMYAUCFBLZ-RKTXRCNFSA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1ccc(NCC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC001665723307 1197181578 /nfs/dbraw/zinc/18/15/78/1197181578.db2.gz BPRHGAFYEKAVEE-UHFFFAOYSA-N 1 0 320.780 3.153 20 5 DGBDRO CC(=O)c1cccc(Br)c1O[C@@H](C)C[N+](C)(C)C ZINC001227971945 1097022767 /nfs/dbraw/zinc/02/27/67/1097022767.db2.gz ZTQKFAMNCMUFMY-JTQLQIEISA-N 1 0 315.231 3.125 20 5 DGBDRO C[NH2+]Cc1cn(-c2ccc([N+](=O)[O-])c(C)n2)c2ccc(C)cc12 ZINC001167121302 1081722562 /nfs/dbraw/zinc/72/25/62/1081722562.db2.gz JDFYDNNLFOSHQP-UHFFFAOYSA-N 1 0 310.357 3.270 20 5 DGBDRO C[NH+](C)CCOc1cc(F)ccc1Nc1cccc([N+](=O)[O-])c1 ZINC001204477172 1081846776 /nfs/dbraw/zinc/84/67/76/1081846776.db2.gz UQFJYLRBTGRYDF-UHFFFAOYSA-N 1 0 319.336 3.418 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170293089 1082335983 /nfs/dbraw/zinc/33/59/83/1082335983.db2.gz KKYKAFRNBVXFPN-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170293090 1082336580 /nfs/dbraw/zinc/33/65/80/1082336580.db2.gz KKYKAFRNBVXFPN-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccs2)c([N+](=O)[O-])c1 ZINC001170294030 1082337555 /nfs/dbraw/zinc/33/75/55/1082337555.db2.gz OIFQOXXUQGNTHJ-LLVKDONJSA-N 1 0 306.387 3.386 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC001170294579 1082337840 /nfs/dbraw/zinc/33/78/40/1082337840.db2.gz BFMIPCUQBZLSIF-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2csc(C)n2)c([N+](=O)[O-])c1 ZINC001170298407 1082338593 /nfs/dbraw/zinc/33/85/93/1082338593.db2.gz LBFSOJVKOMOOEI-JTQLQIEISA-N 1 0 321.402 3.089 20 5 DGBDRO COc1ccc(C[C@H](C)[NH+]2CC3(C2)CCCC3)c([N+](=O)[O-])c1 ZINC001170336397 1082348858 /nfs/dbraw/zinc/34/88/58/1082348858.db2.gz XKKKJEWGGHUDGZ-ZDUSSCGKSA-N 1 0 304.390 3.410 20 5 DGBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC001170335473 1082349186 /nfs/dbraw/zinc/34/91/86/1082349186.db2.gz OEPFVPLVWQELOW-ZDUSSCGKSA-N 1 0 304.390 3.410 20 5 DGBDRO CC1(C)CC(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CC(C)(C)O1 ZINC001170361296 1082352825 /nfs/dbraw/zinc/35/28/25/1082352825.db2.gz KBABIEBDBHKUEJ-UHFFFAOYSA-N 1 0 319.405 3.346 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1NCc1nccc(Cl)n1 ZINC001170547107 1082651969 /nfs/dbraw/zinc/65/19/69/1082651969.db2.gz ZEXFKGIIFUGSTI-UHFFFAOYSA-N 1 0 305.833 3.338 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1CCCC[NH2+]C1 ZINC001217973580 1082976696 /nfs/dbraw/zinc/97/66/96/1082976696.db2.gz XVAVBTOKBJTAJL-QMMMGPOBSA-N 1 0 305.161 3.423 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001218029132 1083013041 /nfs/dbraw/zinc/01/30/41/1083013041.db2.gz YYEFYRFZILRUBW-UFBFGSQYSA-N 1 0 302.733 3.154 20 5 DGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H](C)C2C[NH2+]C2)c1Cl ZINC001218196449 1083073866 /nfs/dbraw/zinc/07/38/66/1083073866.db2.gz VCBJJTJLTFJSAX-ZETCQYMHSA-N 1 0 319.188 3.451 20 5 DGBDRO C[C@@H]1CC[C@@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218396798 1083168462 /nfs/dbraw/zinc/16/84/62/1083168462.db2.gz ATRCXQXVBJIHDO-VXNVDRBHSA-N 1 0 305.161 3.421 20 5 DGBDRO CCCC[NH+](CCCC)CCNc1ncc([N+](=O)[O-])cc1OC ZINC001167732131 1083309692 /nfs/dbraw/zinc/30/96/92/1083309692.db2.gz NYGNRMDAQWRJHZ-UHFFFAOYSA-N 1 0 324.425 3.313 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001181764947 1083534504 /nfs/dbraw/zinc/53/45/04/1083534504.db2.gz RVKGROUTOYZABM-NWDGAFQWSA-N 1 0 308.378 3.320 20 5 DGBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])c2ccccc21)C1CC1 ZINC001185181027 1084369820 /nfs/dbraw/zinc/36/98/20/1084369820.db2.gz UJAYIPFKVDDJBM-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO C[NH+](C)C1(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001186748481 1084695808 /nfs/dbraw/zinc/69/58/08/1084695808.db2.gz RGQPZAPLDXJSMH-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO C[NH+](C)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1(C)C ZINC001186791214 1084704379 /nfs/dbraw/zinc/70/43/79/1084704379.db2.gz LTSYWSQQDBULFU-GJZGRUSLSA-N 1 0 314.389 3.284 20 5 DGBDRO C[N@@H+]1CCCC[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001187044772 1084746114 /nfs/dbraw/zinc/74/61/14/1084746114.db2.gz OPKNLMSJAFDQRS-CYBMUJFWSA-N 1 0 318.421 3.012 20 5 DGBDRO C[NH+]1C[C@@]2(C)CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001187215089 1084775940 /nfs/dbraw/zinc/77/59/40/1084775940.db2.gz AMRIMDXAVGHEFM-GJZGRUSLSA-N 1 0 309.797 3.026 20 5 DGBDRO CCOc1cc(N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001187446039 1084803660 /nfs/dbraw/zinc/80/36/60/1084803660.db2.gz UJTSKSVDCMHQTL-MRXNPFEDSA-N 1 0 321.421 3.160 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ccc(Br)cc2o1 ZINC001226302235 1086023204 /nfs/dbraw/zinc/02/32/04/1086023204.db2.gz WZGPJAYOAIQCGG-VIFPVBQESA-N 1 0 314.203 3.064 20 5 DGBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)c(F)cc1Br ZINC001227827401 1086724097 /nfs/dbraw/zinc/72/40/97/1086724097.db2.gz AQWQBUBVIJGYHY-SNVBAGLBSA-N 1 0 305.211 3.370 20 5 DGBDRO C[C@H](OCC[N+](C)(C)C)c1ccc(F)c(Br)c1 ZINC001224776008 1087446885 /nfs/dbraw/zinc/44/68/85/1087446885.db2.gz REUAKWVZELUTCX-JTQLQIEISA-N 1 0 305.211 3.372 20 5 DGBDRO C[C@@H]([NH3+])c1ccn(-c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])n1 ZINC001158355959 1087786872 /nfs/dbraw/zinc/78/68/72/1087786872.db2.gz LIRSDSXLXOOSRP-MRVPVSSYSA-N 1 0 317.736 3.002 20 5 DGBDRO O=[N+]([O-])c1cc(Nc2ccc3c(c2)CC[NH2+]CC3)ccc1F ZINC001159680877 1088444749 /nfs/dbraw/zinc/44/47/49/1088444749.db2.gz DXAZBPJSIYCKEG-UHFFFAOYSA-N 1 0 301.321 3.166 20 5 DGBDRO Nc1c2cccnc2c2ncccc2c1NC=CC1CC[NH2+]CC1 ZINC001159736739 1088466960 /nfs/dbraw/zinc/46/69/60/1088466960.db2.gz QEXPNZCDTXEDOP-KPKJPENVSA-N 1 0 319.412 3.290 20 5 DGBDRO Cc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)c([N+](=O)[O-])c1 ZINC001159921744 1088550971 /nfs/dbraw/zinc/55/09/71/1088550971.db2.gz DUJBWHYQZREYAC-OAHLLOKOSA-N 1 0 313.357 3.388 20 5 DGBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)c1 ZINC001159920473 1088551652 /nfs/dbraw/zinc/55/16/52/1088551652.db2.gz FZBFVDZKEAUQQG-MRXNPFEDSA-N 1 0 317.320 3.218 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2cccc(O[C@@H]3CCC[NH2+]C3)c2)c1 ZINC001160218885 1088706046 /nfs/dbraw/zinc/70/60/46/1088706046.db2.gz GICZJUZOXRFHRP-QGZVFWFLSA-N 1 0 313.357 3.469 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001154990967 1088879995 /nfs/dbraw/zinc/87/99/95/1088879995.db2.gz ZRRBAGSKWLTCLK-ZJUUUORDSA-N 1 0 320.780 3.478 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001155025000 1088901897 /nfs/dbraw/zinc/90/18/97/1088901897.db2.gz KSDXEKJWOYXADQ-QWHCGFSZSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001155024888 1088902245 /nfs/dbraw/zinc/90/22/45/1088902245.db2.gz JYDZTVWWWABQEB-OLZOCXBDSA-N 1 0 314.389 3.191 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1-n1cc(C(C)(C)C[NH3+])c2ccccc21 ZINC001160843367 1088990482 /nfs/dbraw/zinc/99/04/82/1088990482.db2.gz XJJGPHSNBMBSQZ-UHFFFAOYSA-N 1 0 324.384 3.478 20 5 DGBDRO [NH3+]Cc1ccccc1CNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001160907580 1089010101 /nfs/dbraw/zinc/01/01/01/1089010101.db2.gz WFPYLCUCZFSQBU-UHFFFAOYSA-N 1 0 308.341 3.214 20 5 DGBDRO [NH3+]Cc1ccccc1CNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001160906412 1089010624 /nfs/dbraw/zinc/01/06/24/1089010624.db2.gz XGUGYTMLTFPXGM-UHFFFAOYSA-N 1 0 308.341 3.214 20 5 DGBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ncc(F)cc2[N+](=O)[O-])c1 ZINC001155337409 1089071590 /nfs/dbraw/zinc/07/15/90/1089071590.db2.gz AOZMXCUQHYXAEE-VIFPVBQESA-N 1 0 300.293 3.093 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)nc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC001155550100 1089157668 /nfs/dbraw/zinc/15/76/68/1089157668.db2.gz QHVYSCLXIYEZJK-DOMZBBRYSA-N 1 0 318.764 3.158 20 5 DGBDRO CC(C)(C)CN(c1cc([N+](=O)[O-])ccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161677103 1089341190 /nfs/dbraw/zinc/34/11/90/1089341190.db2.gz IESDJTSMLGCXMY-JOCQHMNTSA-N 1 0 306.410 3.112 20 5 DGBDRO Cc1cc(C[NH3+])nn1-c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001156039095 1089359259 /nfs/dbraw/zinc/35/92/59/1089359259.db2.gz MJXWAYOWQIICON-UHFFFAOYSA-N 1 0 323.787 3.389 20 5 DGBDRO CC(C)N(CCC[NH3+])c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001156117903 1089393410 /nfs/dbraw/zinc/39/34/10/1089393410.db2.gz HGOQSLYNRBTIRQ-UHFFFAOYSA-N 1 0 322.796 3.360 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001156377737 1089495885 /nfs/dbraw/zinc/49/58/85/1089495885.db2.gz CNBKGFQISHHCFZ-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[N@@H+]1CCC[C@@](C)(Nc2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001162341143 1089684111 /nfs/dbraw/zinc/68/41/11/1089684111.db2.gz IZNCNFVTZLIBNN-GFCCVEGCSA-N 1 0 319.192 3.193 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC001162465233 1089746590 /nfs/dbraw/zinc/74/65/90/1089746590.db2.gz DZUHSEUKYXWQCG-STQMWFEESA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001162766787 1089940942 /nfs/dbraw/zinc/94/09/42/1089940942.db2.gz PNGPFLOPEUYMOO-JTQLQIEISA-N 1 0 321.340 3.435 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001162841837 1089987784 /nfs/dbraw/zinc/98/77/84/1089987784.db2.gz QIFKUSWMSSURBO-CQSZACIVSA-N 1 0 320.352 3.165 20 5 DGBDRO O=[N+]([O-])c1cccc(CCNc2cc[nH+]cc2C(F)(F)F)c1 ZINC001162966730 1090037954 /nfs/dbraw/zinc/03/79/54/1090037954.db2.gz CVUURNNOCNKNAI-UHFFFAOYSA-N 1 0 311.263 3.085 20 5 DGBDRO O=[N+]([O-])c1cccc2nc(NC3CC4(C3)CCC[NH2+]C4)ccc21 ZINC001162981738 1090045226 /nfs/dbraw/zinc/04/52/26/1090045226.db2.gz PAHLKCAKUVTNRN-UHFFFAOYSA-N 1 0 312.373 3.087 20 5 DGBDRO COc1c(F)cc(N[C@@H]2C[NH2+]Cc3ccsc32)cc1[N+](=O)[O-] ZINC001163227851 1090125319 /nfs/dbraw/zinc/12/53/19/1090125319.db2.gz CYAVMJTZJUYGTE-LLVKDONJSA-N 1 0 323.349 3.060 20 5 DGBDRO [NH3+]C[C@@H](Nc1ccc2cccc([N+](=O)[O-])c2n1)c1ccccc1 ZINC001163294643 1090142154 /nfs/dbraw/zinc/14/21/54/1090142154.db2.gz WORBQDSEWBISKQ-CQSZACIVSA-N 1 0 308.341 3.255 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc(Cl)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC001163362765 1090163741 /nfs/dbraw/zinc/16/37/41/1090163741.db2.gz NYJWHHWYYIGDTF-WDEREUQCSA-N 1 0 312.801 3.174 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163386733 1090171966 /nfs/dbraw/zinc/17/19/66/1090171966.db2.gz XMNPEJIRGPQESC-INIZCTEOSA-N 1 0 324.384 3.163 20 5 DGBDRO CC(C)N(c1ccc2ccc3cccnc3c2n1)[C@@H]1CC[NH2+]C1 ZINC001158020760 1090174544 /nfs/dbraw/zinc/17/45/44/1090174544.db2.gz BWWKKXQTWNSMIP-MRXNPFEDSA-N 1 0 306.413 3.360 20 5 DGBDRO c1cnc2c(c1)cc(N[C@H]1C[NH+]3CCC1CC3)c1cccnc12 ZINC001163394601 1090174599 /nfs/dbraw/zinc/17/45/99/1090174599.db2.gz IMOJACPUEYPRIR-KRWDZBQOSA-N 1 0 304.397 3.289 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001163712401 1090240527 /nfs/dbraw/zinc/24/05/27/1090240527.db2.gz XXSJSNHNPVHVRO-GFCCVEGCSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(-n2c(C[NH3+])cc3cc(Cl)ccc32)n1 ZINC001163897857 1090282957 /nfs/dbraw/zinc/28/29/57/1090282957.db2.gz IYORWGRYLLFCLN-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1NCc1cnc3ccccc3c1)C[NH2+]C2 ZINC001164203626 1090371296 /nfs/dbraw/zinc/37/12/96/1090371296.db2.gz DOHJEKYZOSBVQP-UHFFFAOYSA-N 1 0 320.352 3.358 20 5 DGBDRO C[C@]1(C[NH3+])CCCN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001164248615 1090386483 /nfs/dbraw/zinc/38/64/83/1090386483.db2.gz WCQAOKSSTOKXHE-KRWDZBQOSA-N 1 0 314.389 3.098 20 5 DGBDRO CC(C)(C)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001165095419 1090465208 /nfs/dbraw/zinc/46/52/08/1090465208.db2.gz SRPLCKCDDZKZIS-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC001165289652 1090497093 /nfs/dbraw/zinc/49/70/93/1090497093.db2.gz HQPOBLKRWGMJNS-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001165320225 1090502445 /nfs/dbraw/zinc/50/24/45/1090502445.db2.gz PDOQCJJIOFSEAG-ZDUSSCGKSA-N 1 0 324.812 3.002 20 5 DGBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001165321151 1090503193 /nfs/dbraw/zinc/50/31/93/1090503193.db2.gz WYEUEBBMHFLEMN-LBPRGKRZSA-N 1 0 324.812 3.002 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2cc(F)cc(F)c2[N+](=O)[O-])CC1 ZINC001166616103 1090629958 /nfs/dbraw/zinc/62/99/58/1090629958.db2.gz SVDGTHVONKMQNB-UHFFFAOYSA-N 1 0 313.348 3.405 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC001203665126 1090776293 /nfs/dbraw/zinc/77/62/93/1090776293.db2.gz JIGWESBDONAMRP-OAHLLOKOSA-N 1 0 322.405 3.288 20 5 DGBDRO C[N@@H+](Cc1ccc2ccc3cccc4ccc1c2c34)C[C@H](O)CO ZINC001204001315 1090864239 /nfs/dbraw/zinc/86/42/39/1090864239.db2.gz FGZTUMFBYCQKGJ-SFHVURJKSA-N 1 0 319.404 3.369 20 5 DGBDRO C[NH+]1CCN(c2ccccc2Nc2ccccc2[N+](=O)[O-])CC1 ZINC001206164497 1091516112 /nfs/dbraw/zinc/51/61/12/1091516112.db2.gz MBYMKEVWBQYLQS-UHFFFAOYSA-N 1 0 312.373 3.090 20 5 DGBDRO C[C@@H]1CCC[C@@H](C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001206195268 1091529868 /nfs/dbraw/zinc/52/98/68/1091529868.db2.gz QNUDMFAPMWFCEE-ZIAGYGMSSA-N 1 0 304.390 3.484 20 5 DGBDRO C[NH+](C)CCO[C@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001206285201 1091561519 /nfs/dbraw/zinc/56/15/19/1091561519.db2.gz CCGOESJUPAIRQB-QGZVFWFLSA-N 1 0 300.358 3.262 20 5 DGBDRO C[N@@H+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001307196668 1091593197 /nfs/dbraw/zinc/59/31/97/1091593197.db2.gz XWLCOKPQHPEKFR-AWEZNQCLSA-N 1 0 311.813 3.415 20 5 DGBDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC[N+](=O)[O-])s2)cc1 ZINC001119735548 1091610968 /nfs/dbraw/zinc/61/09/68/1091610968.db2.gz RSSZTRXOFSFEIK-JTQLQIEISA-N 1 0 321.402 3.054 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001207449127 1091970723 /nfs/dbraw/zinc/97/07/23/1091970723.db2.gz PPVDIPQCVPCASG-UKRRQHHQSA-N 1 0 306.406 3.321 20 5 DGBDRO OC[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1O ZINC001141723106 1092325086 /nfs/dbraw/zinc/32/50/86/1092325086.db2.gz OQPZJEKHTVJTIH-UWJYYQICSA-N 1 0 321.420 3.168 20 5 DGBDRO [NH3+]CCN(c1cccnc1)c1cc2cccnc2c2ncccc12 ZINC001168838134 1092390250 /nfs/dbraw/zinc/39/02/50/1092390250.db2.gz QAWBIWDVJDWQGS-UHFFFAOYSA-N 1 0 315.380 3.275 20 5 DGBDRO C[C@@H]([NH3+])Cc1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168984366 1092460779 /nfs/dbraw/zinc/46/07/79/1092460779.db2.gz MPOLJOVSPZGPRY-IPYPFGDCSA-N 1 0 301.390 3.149 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC001168955758 1092462601 /nfs/dbraw/zinc/46/26/01/1092462601.db2.gz CBHXEOGZWPXIHZ-DGCLKSJQSA-N 1 0 302.296 3.240 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nccs3)cc2)C1 ZINC001168986200 1092462717 /nfs/dbraw/zinc/46/27/17/1092462717.db2.gz WXBOHYQOUACAFW-ZFWWWQNUSA-N 1 0 317.414 3.345 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC001168956931 1092462838 /nfs/dbraw/zinc/46/28/38/1092462838.db2.gz CVGLJOZATMSMTN-BXKDBHETSA-N 1 0 320.286 3.380 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)C1 ZINC001168960151 1092464404 /nfs/dbraw/zinc/46/44/04/1092464404.db2.gz ZUPYAGVEEAMOTN-TZMCWYRMSA-N 1 0 316.323 3.283 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2c(F)ccc(Cl)c2F)C1 ZINC001168964770 1092466878 /nfs/dbraw/zinc/46/68/78/1092466878.db2.gz WBKYFCQCLCCOMQ-DTWKUNHWSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)C1 ZINC001168966951 1092468008 /nfs/dbraw/zinc/46/80/08/1092468008.db2.gz MKANFXNCVUGOTO-GXSJLCMTSA-N 1 0 320.286 3.380 20 5 DGBDRO C[Si](C)(C)C([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)[Si](C)(C)C ZINC001168988240 1092491585 /nfs/dbraw/zinc/49/15/85/1092491585.db2.gz PPBRJMRYFKNXPZ-NEPJUHHUSA-N 1 0 302.567 3.145 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCSCc2ccc(F)cc2)C1 ZINC001168965885 1092468513 /nfs/dbraw/zinc/46/85/13/1092468513.db2.gz DFLMYYUWQINANY-UKRRQHHQSA-N 1 0 312.410 3.094 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001168967365 1092468861 /nfs/dbraw/zinc/46/88/61/1092468861.db2.gz PAKPXNMTISSKIS-TVQRCGJNSA-N 1 0 320.286 3.380 20 5 DGBDRO COc1ccc(C2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC2)cc1 ZINC001168992340 1092477106 /nfs/dbraw/zinc/47/71/06/1092477106.db2.gz JMNOSSROHPRBSN-HIFRSBDPSA-N 1 0 304.390 3.109 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)C1 ZINC001168995600 1092477546 /nfs/dbraw/zinc/47/75/46/1092477546.db2.gz SBOBMDUHOLELOV-GDBMZVCRSA-N 1 0 306.381 3.326 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(CC3CCC3)CCOCC2)C1 ZINC001168998566 1092479276 /nfs/dbraw/zinc/47/92/76/1092479276.db2.gz OQAXVMYRSJRMSZ-JKSUJKDBSA-N 1 0 310.438 3.008 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2cncc(Cl)c2)C2CC2)C1 ZINC001168999925 1092480815 /nfs/dbraw/zinc/48/08/15/1092480815.db2.gz WHGXKVPOONSPTG-WKPIXPDZSA-N 1 0 309.797 3.221 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOc3ccc(Cl)cc32)C1 ZINC001169007987 1092485941 /nfs/dbraw/zinc/48/59/41/1092485941.db2.gz QIZFVUAGBJFODE-MPKXVKKWSA-N 1 0 310.781 3.199 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn([C@H]3CC[C@H](C[N+](=O)[O-])C3)c2c1 ZINC001168987329 1092491682 /nfs/dbraw/zinc/49/16/82/1092491682.db2.gz IKCUITUHWPMCEI-DZKIICNBSA-N 1 0 315.417 3.457 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC3CCC3)c2)C1 ZINC001168990208 1092492201 /nfs/dbraw/zinc/49/22/01/1092492201.db2.gz YHDRHHMFILQCAQ-IAGOWNOFSA-N 1 0 318.417 3.401 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3cccc(F)c3)CC2)C1 ZINC001169021817 1092504263 /nfs/dbraw/zinc/50/42/63/1092504263.db2.gz ADABUTSSMPMUJW-UKRRQHHQSA-N 1 0 322.380 3.114 20 5 DGBDRO COc1cccc(C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169046941 1092506509 /nfs/dbraw/zinc/50/65/09/1092506509.db2.gz PBHXHBLPNGGNDS-PBHICJAKSA-N 1 0 318.417 3.320 20 5 DGBDRO CC[N@H+](CCc1ccc(OC)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046896 1092507568 /nfs/dbraw/zinc/50/75/68/1092507568.db2.gz OGAZVSKKDIDTAD-HOTGVXAUSA-N 1 0 306.406 3.005 20 5 DGBDRO COc1ccc(C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169026597 1092507802 /nfs/dbraw/zinc/50/78/02/1092507802.db2.gz NCJRFQQBZOXJFX-WMLDXEAASA-N 1 0 318.417 3.320 20 5 DGBDRO CC1(c2ccccc2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049637 1092509532 /nfs/dbraw/zinc/50/95/32/1092509532.db2.gz XCUHBXLAJMGTGM-WBVHZDCISA-N 1 0 302.418 3.486 20 5 DGBDRO Cc1c(F)cnc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169141039 1092557169 /nfs/dbraw/zinc/55/71/69/1092557169.db2.gz ILLNTNRYLRJWFH-MEDUHNTESA-N 1 0 324.400 3.393 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1NCCc1ccnc(OC)c1 ZINC001169225826 1092600480 /nfs/dbraw/zinc/60/04/80/1092600480.db2.gz IXPFVGVDUKDIPM-UHFFFAOYSA-N 1 0 314.453 3.341 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2c[nH+]ccc2N2CCCC2)c1F ZINC001210381860 1093148199 /nfs/dbraw/zinc/14/81/99/1093148199.db2.gz QWJKGBAMSONZOB-UHFFFAOYSA-N 1 0 302.309 3.473 20 5 DGBDRO C[N@@H+]1CCc2ccc(Nc3cccc([N+](=O)[O-])c3F)cc2C1 ZINC001210386760 1093150302 /nfs/dbraw/zinc/15/03/02/1093150302.db2.gz ZKVNVJONKLUSQL-UHFFFAOYSA-N 1 0 301.321 3.465 20 5 DGBDRO O=[N+]([O-])c1cc(Nc2c[nH+]ccc2N2CCCC2)ccc1O ZINC001210396199 1093153097 /nfs/dbraw/zinc/15/30/97/1093153097.db2.gz MWSIJFJZOSGDOH-UHFFFAOYSA-N 1 0 300.318 3.039 20 5 DGBDRO Cc1cccc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001120071715 1094370648 /nfs/dbraw/zinc/37/06/48/1094370648.db2.gz AXMSIHZFTVISOV-ZNMIVQPWSA-N 1 0 303.406 3.070 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217945073 1094523753 /nfs/dbraw/zinc/52/37/53/1094523753.db2.gz AOVCSRCBELBHGU-MWLCHTKSSA-N 1 0 322.258 3.083 20 5 DGBDRO Cc1cc(O[C@H]2CCC[NH2+]C[C@@H]2F)c([N+](=O)[O-])cc1Cl ZINC001217948242 1094525920 /nfs/dbraw/zinc/52/59/20/1094525920.db2.gz LTYDBCGJISCXJJ-JQWIXIFHSA-N 1 0 302.733 3.026 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC[C@@H]2F)ccc1C(F)(F)F ZINC001217974183 1094537580 /nfs/dbraw/zinc/53/75/80/1094537580.db2.gz CWNSUIMTRUJJCW-JQWIXIFHSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1c(O[C@@H]2C[NH2+]CCC[C@H]2F)ccc2ccccc21 ZINC001217982088 1094541595 /nfs/dbraw/zinc/54/15/95/1094541595.db2.gz RTBDJTDUGGINDO-UKRRQHHQSA-N 1 0 304.321 3.217 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001217990701 1094546817 /nfs/dbraw/zinc/54/68/17/1094546817.db2.gz VHJAQDGHIFYOAV-CABZTGNLSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001217990700 1094547184 /nfs/dbraw/zinc/54/71/84/1094547184.db2.gz VHJAQDGHIFYOAV-BXKDBHETSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CCC[NH2+]CC1 ZINC001217993658 1094547725 /nfs/dbraw/zinc/54/77/25/1094547725.db2.gz BBMVTFKCOQPCKT-VIFPVBQESA-N 1 0 320.267 3.014 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]CC2)cc1C(F)(F)F ZINC001217997075 1094549798 /nfs/dbraw/zinc/54/97/98/1094549798.db2.gz YADFIFRBGSFWSY-VIFPVBQESA-N 1 0 304.268 3.135 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001135495354 1094555785 /nfs/dbraw/zinc/55/57/85/1094555785.db2.gz ZRNGLRNSGVNQME-KBPBESRZSA-N 1 0 319.405 3.271 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001218028645 1094568588 /nfs/dbraw/zinc/56/85/88/1094568588.db2.gz WBPHKICWEMYANV-NOZJJQNGSA-N 1 0 318.295 3.381 20 5 DGBDRO Cn1cncc1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001121015648 1094570296 /nfs/dbraw/zinc/57/02/96/1094570296.db2.gz PDOFSXOFADFALQ-UHFFFAOYSA-N 1 0 320.780 3.366 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(O[C@H]3CCC34CC[NH2+]CC4)sc2c1 ZINC001218083581 1094592315 /nfs/dbraw/zinc/59/23/15/1094592315.db2.gz SKESHIGDLUTIJX-ZDUSSCGKSA-N 1 0 319.386 3.116 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218094975 1094600247 /nfs/dbraw/zinc/60/02/47/1094600247.db2.gz XYIXHOBNEXGFSQ-UONOGXRCSA-N 1 0 314.744 3.298 20 5 DGBDRO Cc1cc(OC2CC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])cc1Cl ZINC001218106559 1094606950 /nfs/dbraw/zinc/60/69/50/1094606950.db2.gz VELAYNVECAIJLY-UHFFFAOYSA-N 1 0 310.781 3.468 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)cc1 ZINC001218111077 1094608980 /nfs/dbraw/zinc/60/89/80/1094608980.db2.gz AFUXZYDCMPKWHO-HBUWYVDXSA-N 1 0 310.353 3.391 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2O[C@@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001218107258 1094609001 /nfs/dbraw/zinc/60/90/01/1094609001.db2.gz NAUNHIKXOHSBRK-ZWKOTPCHSA-N 1 0 318.420 3.418 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218113665 1094609969 /nfs/dbraw/zinc/60/99/69/1094609969.db2.gz CMAZAMBODSACCC-QWHCGFSZSA-N 1 0 317.172 3.423 20 5 DGBDRO O=c1oc2cc(O[C@@H]3CC[C@@]34CC[NH2+]C4)ccc2c2ccccc21 ZINC001218113497 1094610700 /nfs/dbraw/zinc/61/07/00/1094610700.db2.gz AIQVYQRGHAZTPH-QUCCMNQESA-N 1 0 321.376 3.467 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218114721 1094613777 /nfs/dbraw/zinc/61/37/77/1094613777.db2.gz CYINKBRGPNPFPJ-AAEUAGOBSA-N 1 0 316.279 3.135 20 5 DGBDRO Cc1cc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c(C)c(C)c1[N+](=O)[O-] ZINC001218145276 1094631539 /nfs/dbraw/zinc/63/15/39/1094631539.db2.gz AIHHAWZUIJHORD-QLFBSQMISA-N 1 0 304.390 3.287 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@H]3CC[C@@H]4[NH2+]CCO[C@H]43)cc2c1 ZINC001218149644 1094633501 /nfs/dbraw/zinc/63/35/01/1094633501.db2.gz NRGYBHUWGWKZMA-XKGZKEIXSA-N 1 0 320.392 3.286 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CCC23C[NH2+]C3)cc1Cl ZINC001218240183 1094673687 /nfs/dbraw/zinc/67/36/87/1094673687.db2.gz LCXORLLGRWUZPC-LLVKDONJSA-N 1 0 303.145 3.032 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC23C[NH2+]C3)c(Cl)cc1Cl ZINC001218241659 1094675200 /nfs/dbraw/zinc/67/52/00/1094675200.db2.gz VDFUDMRQSOYVJP-NSHDSACASA-N 1 0 303.145 3.032 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2CCC23C[NH2+]C3)cc1 ZINC001218245169 1094677851 /nfs/dbraw/zinc/67/78/51/1094677851.db2.gz WLJKXGNFKFXJLX-QGZVFWFLSA-N 1 0 310.353 3.393 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1OC1CC2(C1)CCC[NH2+]C2 ZINC001218252162 1094682384 /nfs/dbraw/zinc/68/23/84/1094682384.db2.gz QKSKBXRUTTWVRS-UHFFFAOYSA-N 1 0 310.781 3.468 20 5 DGBDRO c1ccc2c(c1)nc(OC[C@@H]1C[NH2+]CCCO1)c1ccccc21 ZINC001218300687 1094704171 /nfs/dbraw/zinc/70/41/71/1094704171.db2.gz QGXWSKSDUVLWJJ-AWEZNQCLSA-N 1 0 308.381 3.145 20 5 DGBDRO c1ccc2nc3c(cccc3OC[C@H]3C[NH2+]CCCO3)cc2c1 ZINC001218301095 1094704886 /nfs/dbraw/zinc/70/48/86/1094704886.db2.gz XPNKHDKKXGNURQ-MRXNPFEDSA-N 1 0 308.381 3.145 20 5 DGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001218311933 1094709509 /nfs/dbraw/zinc/70/95/09/1094709509.db2.gz QPOAMBHTLDBDQD-GFCCVEGCSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)c2)c1 ZINC001218329762 1094719727 /nfs/dbraw/zinc/71/97/27/1094719727.db2.gz FYQJGSWLVDEVFN-JCGIZDLHSA-N 1 0 310.353 3.249 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)c2)c1 ZINC001218329760 1094719898 /nfs/dbraw/zinc/71/98/98/1094719898.db2.gz FYQJGSWLVDEVFN-BMGDILEWSA-N 1 0 310.353 3.249 20 5 DGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C=CC[NH2+]C2)c1Cl ZINC001218330337 1094720081 /nfs/dbraw/zinc/72/00/81/1094720081.db2.gz DPEDEJGKQZSWOH-QMMMGPOBSA-N 1 0 317.172 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2C[NH2+]CCC23CC3)c(Cl)c1 ZINC001218405703 1094757045 /nfs/dbraw/zinc/75/70/45/1094757045.db2.gz PSELDHYQEUURID-NSHDSACASA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC23CC3)c(Cl)c1Cl ZINC001218407478 1094758321 /nfs/dbraw/zinc/75/83/21/1094758321.db2.gz VYNVGXLKSZNJTO-SNVBAGLBSA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1Cl ZINC001218444277 1094778425 /nfs/dbraw/zinc/77/84/25/1094778425.db2.gz JOOJFHYHLQUTDN-AKGNYGMASA-N 1 0 303.145 3.031 20 5 DGBDRO CC1(C)C[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)CC[NH2+]1 ZINC001218474409 1094796393 /nfs/dbraw/zinc/79/63/93/1094796393.db2.gz FPLQAAQTJYIPLP-MRVPVSSYSA-N 1 0 302.733 3.297 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218484500 1094808201 /nfs/dbraw/zinc/80/82/01/1094808201.db2.gz QKQSTKSSVOKVOK-OAHLLOKOSA-N 1 0 304.733 3.472 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(O[C@H]3C[NH2+]Cc4ccccc43)c2c1 ZINC001218488933 1094814046 /nfs/dbraw/zinc/81/40/46/1094814046.db2.gz NLJKGIGKXAKBPP-KRWDZBQOSA-N 1 0 321.336 3.366 20 5 DGBDRO O=[N+]([O-])c1cc(F)cc(F)c1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218489483 1094817751 /nfs/dbraw/zinc/81/77/51/1094817751.db2.gz PHFXAAOSJVLAKG-AWEZNQCLSA-N 1 0 306.268 3.096 20 5 DGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001337066210 1094840267 /nfs/dbraw/zinc/84/02/67/1094840267.db2.gz FUWDCYIONANMSX-BZNIZROVSA-N 1 0 312.373 3.038 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC001337345758 1094940856 /nfs/dbraw/zinc/94/08/56/1094940856.db2.gz YLFHNRNFTIAMFU-LBPRGKRZSA-N 1 0 307.394 3.330 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC001337555304 1095017883 /nfs/dbraw/zinc/01/78/83/1095017883.db2.gz AFQIDDDWEMZNKW-LBPRGKRZSA-N 1 0 307.394 3.330 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001337733494 1095075947 /nfs/dbraw/zinc/07/59/47/1095075947.db2.gz MQXUFNFORCIFSU-WBVHZDCISA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC001337735097 1095077389 /nfs/dbraw/zinc/07/73/89/1095077389.db2.gz SHLWTIYNKWNKQW-CVEARBPZSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nc(C)ccc3[N+](=O)[O-])c2c1 ZINC001171168679 1095623352 /nfs/dbraw/zinc/62/33/52/1095623352.db2.gz LTOLWRPEOPUQNO-LBPRGKRZSA-N 1 0 324.384 3.440 20 5 DGBDRO COc1ccc(-c2ccc(CO[C@H](C)C[N+](C)(C)C)cn2)cc1 ZINC001222922882 1095790822 /nfs/dbraw/zinc/79/08/22/1095790822.db2.gz ACUDGZBGBWMCPC-OAHLLOKOSA-N 1 0 315.437 3.369 20 5 DGBDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001340619786 1095990704 /nfs/dbraw/zinc/99/07/04/1095990704.db2.gz DGNGDCONZXHVIW-CZUORRHYSA-N 1 0 321.421 3.095 20 5 DGBDRO C[N@@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224205012 1096162690 /nfs/dbraw/zinc/16/26/90/1096162690.db2.gz XCQSUTIPYYPYGD-AWEZNQCLSA-N 1 0 300.358 3.359 20 5 DGBDRO C[C@@H](OCCC[N+](C)(C)C)c1cccc(Br)n1 ZINC001224620120 1096248682 /nfs/dbraw/zinc/24/86/82/1096248682.db2.gz TYPZLPPBBHRWQD-LLVKDONJSA-N 1 0 302.236 3.018 20 5 DGBDRO C[N+](C)(C)CCO[C@@H](C(=O)c1cccs1)c1cccs1 ZINC001224771008 1096282777 /nfs/dbraw/zinc/28/27/77/1096282777.db2.gz DZVVIAULRRYLIQ-OAHLLOKOSA-N 1 0 310.464 3.456 20 5 DGBDRO Cc1ccc2c(ccnc2NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001171327603 1096338198 /nfs/dbraw/zinc/33/81/98/1096338198.db2.gz HIBJUTYUYTTWTC-GFCCVEGCSA-N 1 0 300.362 3.005 20 5 DGBDRO C[C@H](Oc1ccc(CC(=[NH2+])NO)cc1)c1cccc([N+](=O)[O-])c1 ZINC001225547523 1096465262 /nfs/dbraw/zinc/46/52/62/1096465262.db2.gz YLHUJWNVGVMUIS-NSHDSACASA-N 1 0 315.329 3.233 20 5 DGBDRO O=[N+]([O-])c1ncccc1O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001225628303 1096487389 /nfs/dbraw/zinc/48/73/89/1096487389.db2.gz GYMBFAPZEOAHBY-HNNXBMFYSA-N 1 0 313.357 3.033 20 5 DGBDRO O=[N+]([O-])c1ncccc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001225628004 1096487421 /nfs/dbraw/zinc/48/74/21/1096487421.db2.gz AXQOCLNCOJYVQJ-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)c(Br)c(F)c1 ZINC001225735190 1096515721 /nfs/dbraw/zinc/51/57/21/1096515721.db2.gz DUODDHVPEPNWRA-MRVPVSSYSA-N 1 0 309.174 3.201 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001225905173 1096559867 /nfs/dbraw/zinc/55/98/67/1096559867.db2.gz OCKDLDIYAXTLLT-HNNXBMFYSA-N 1 0 316.332 3.387 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH+]3CCC2CC3)c(C(F)(F)F)c1 ZINC001226311208 1096658534 /nfs/dbraw/zinc/65/85/34/1096658534.db2.gz NJVGOQIKXAWDMY-ZDUSSCGKSA-N 1 0 316.279 3.087 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226311025 1096658641 /nfs/dbraw/zinc/65/86/41/1096658641.db2.gz JCNBJMNITMSIRB-SNVBAGLBSA-N 1 0 304.268 3.087 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226512806 1096709361 /nfs/dbraw/zinc/70/93/61/1096709361.db2.gz VHNAJPKCYOJDSM-CQSZACIVSA-N 1 0 309.365 3.419 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC1CC[NH+](C(C)C)CC1 ZINC001226530975 1096714347 /nfs/dbraw/zinc/71/43/47/1096714347.db2.gz JGKFJKUWCYBJMG-UHFFFAOYSA-N 1 0 306.362 3.049 20 5 DGBDRO COc1cc(Br)cc(C)c1O[C@@H](C)C[N+](C)(C)C ZINC001226595987 1096730559 /nfs/dbraw/zinc/73/05/59/1096730559.db2.gz NCMJXUIJAYFGCT-NSHDSACASA-N 1 0 317.247 3.240 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC001226708642 1096756879 /nfs/dbraw/zinc/75/68/79/1096756879.db2.gz BMPKBBQHZPGIDL-MRXNPFEDSA-N 1 0 313.357 3.033 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1ccc([N+](=O)[O-])nc1)c1cccs1 ZINC001226710754 1096757464 /nfs/dbraw/zinc/75/74/64/1096757464.db2.gz UOGAOQOFZXXHOY-LBPRGKRZSA-N 1 0 307.375 3.123 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001226709861 1096758113 /nfs/dbraw/zinc/75/81/13/1096758113.db2.gz LRCGZQSVPOSHTL-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001227155264 1096882191 /nfs/dbraw/zinc/88/21/91/1096882191.db2.gz XXYZYRNPMTWZDF-VIFPVBQESA-N 1 0 302.733 3.250 20 5 DGBDRO C[C@H](CN1CCOCC1)Oc1cccc2ccc3cccnc3c21 ZINC001227763758 1096984058 /nfs/dbraw/zinc/98/40/58/1096984058.db2.gz HTWHPQIVUYAOKQ-OAHLLOKOSA-N 1 0 322.408 3.488 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001228135271 1097059505 /nfs/dbraw/zinc/05/95/05/1097059505.db2.gz DBOVAFSLHWQMRO-GFCCVEGCSA-N 1 0 301.346 3.006 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228138580 1097060696 /nfs/dbraw/zinc/06/06/96/1097060696.db2.gz MJFBJPITBUYAKL-LBPRGKRZSA-N 1 0 301.346 3.006 20 5 DGBDRO CCN1CC[C@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001228198737 1097072202 /nfs/dbraw/zinc/07/22/02/1097072202.db2.gz PAPWRSJBEIUZLY-VIFPVBQESA-N 1 0 305.161 3.375 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(OC3CC[NH+](C4CC4)CC3)sc2c1 ZINC001228209027 1097073876 /nfs/dbraw/zinc/07/38/76/1097073876.db2.gz JHCGZCFIXXUMMH-UHFFFAOYSA-N 1 0 319.386 3.210 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccncc2c1Br ZINC001228671632 1097163875 /nfs/dbraw/zinc/16/38/75/1097163875.db2.gz JRNDVISFLFHAAV-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO c1ccc2nc3cc(O[C@@H]4C[NH+]5CCC4CC5)ccc3nc2c1 ZINC001228739618 1097180384 /nfs/dbraw/zinc/18/03/84/1097180384.db2.gz BVNBHVFJHANJBZ-LJQANCHMSA-N 1 0 305.381 3.256 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1noc2ccc(Br)cc21 ZINC001228793635 1097192348 /nfs/dbraw/zinc/19/23/48/1097192348.db2.gz ZCJJZWNAMLRCQP-VIFPVBQESA-N 1 0 314.203 3.064 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nc1 ZINC001172896869 1097266619 /nfs/dbraw/zinc/26/66/19/1097266619.db2.gz TURMBMHDHDBQJG-INIZCTEOSA-N 1 0 311.385 3.335 20 5 DGBDRO COc1ccc(-c2ccc(O[C@@H](C)C[N+](C)(C)C)nc2)cc1 ZINC001229157951 1097267070 /nfs/dbraw/zinc/26/70/70/1097267070.db2.gz XXGWKHNVAQEAMB-AWEZNQCLSA-N 1 0 301.410 3.231 20 5 DGBDRO CC(C)(C)C(=O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897935 1097267667 /nfs/dbraw/zinc/26/76/67/1097267667.db2.gz DYOHYOUYHDBZKF-AWEZNQCLSA-N 1 0 304.390 3.047 20 5 DGBDRO CC(C)OCCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901105 1097268033 /nfs/dbraw/zinc/26/80/33/1097268033.db2.gz JSDJQPBVCQIXFU-MRXNPFEDSA-N 1 0 306.406 3.247 20 5 DGBDRO COCC1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172908284 1097270352 /nfs/dbraw/zinc/27/03/52/1097270352.db2.gz LOYDWIIUJCNZKF-QGZVFWFLSA-N 1 0 318.417 3.201 20 5 DGBDRO CC(C)[N@H+]([C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)CN ZINC001172907750 1097270442 /nfs/dbraw/zinc/27/04/42/1097270442.db2.gz HYWAZRBYMMZCLA-MRXNPFEDSA-N 1 0 319.449 3.290 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC(c3cccnc3)C1)CC2 ZINC001172920980 1097280628 /nfs/dbraw/zinc/28/06/28/1097280628.db2.gz NBPNVTKYIRMHJZ-GOSISDBHSA-N 1 0 323.396 3.337 20 5 DGBDRO C[N@H+](Cc1cscn1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172920210 1097281097 /nfs/dbraw/zinc/28/10/97/1097281097.db2.gz IZXZXUPQFGUBDF-HNNXBMFYSA-N 1 0 317.414 3.431 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1cncs1)CC2 ZINC001172910848 1097292234 /nfs/dbraw/zinc/29/22/34/1097292234.db2.gz DNUIRIPVQMKRBU-AWEZNQCLSA-N 1 0 317.414 3.131 20 5 DGBDRO CC(C)(C)N1CC(Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229343767 1097301251 /nfs/dbraw/zinc/30/12/51/1097301251.db2.gz HDLIVBUVZXVPMX-UHFFFAOYSA-N 1 0 301.346 3.005 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc([N+](=O)[O-])cc2cccnc21 ZINC001229344183 1097301708 /nfs/dbraw/zinc/30/17/08/1097301708.db2.gz RVANYAUARSVXDQ-GFCCVEGCSA-N 1 0 303.362 3.252 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2(F)CCC2)c1F ZINC001173177458 1097356399 /nfs/dbraw/zinc/35/63/99/1097356399.db2.gz ADLLAZMTDPERLO-SNVBAGLBSA-N 1 0 314.332 3.155 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2C[C@@H]3CCC[C@H]3C2)c1F ZINC001173183631 1097357066 /nfs/dbraw/zinc/35/70/66/1097357066.db2.gz IMGMOMHLQBIVIL-AVGNSLFASA-N 1 0 322.380 3.405 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC(C)(C)C2)c1F ZINC001173190966 1097357946 /nfs/dbraw/zinc/35/79/46/1097357946.db2.gz YNTRMIHOAAQLMW-LLVKDONJSA-N 1 0 310.369 3.405 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1nc(C[NH3+])c2ccccc21 ZINC001173217076 1097368934 /nfs/dbraw/zinc/36/89/34/1097368934.db2.gz KZHVPGLRAQSZJN-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccncc1Cl ZINC001173217925 1097368973 /nfs/dbraw/zinc/36/89/73/1097368973.db2.gz HQYSOFMYUOCZKI-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H](CCCC(C)(C)O)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218099 1097369278 /nfs/dbraw/zinc/36/92/78/1097369278.db2.gz OHZKHZHGIUVSES-KGLIPLIRSA-N 1 0 308.422 3.445 20 5 DGBDRO COc1cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001173219868 1097370149 /nfs/dbraw/zinc/37/01/49/1097370149.db2.gz PZHRFEFYDQVKAP-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001173221049 1097372403 /nfs/dbraw/zinc/37/24/03/1097372403.db2.gz FNCOXDVTQVTBHQ-GUYCJALGSA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(O)cc1F ZINC001173222612 1097372931 /nfs/dbraw/zinc/37/29/31/1097372931.db2.gz XPVZKIBDEGOLEA-LLVKDONJSA-N 1 0 304.321 3.160 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001173225135 1097374275 /nfs/dbraw/zinc/37/42/75/1097374275.db2.gz BNFOUQWFDCBPKE-GOEBONIOSA-N 1 0 311.385 3.410 20 5 DGBDRO Cc1cccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173226947 1097375119 /nfs/dbraw/zinc/37/51/19/1097375119.db2.gz DXBQALXLMWAHAX-KBXCAEBGSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1ncsc1CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230106 1097376032 /nfs/dbraw/zinc/37/60/32/1097376032.db2.gz QODINEFVWCJKMF-NSHDSACASA-N 1 0 305.403 3.123 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001173227239 1097376414 /nfs/dbraw/zinc/37/64/14/1097376414.db2.gz OUGWOLORIGFELN-WMLDXEAASA-N 1 0 311.385 3.410 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001173228965 1097376465 /nfs/dbraw/zinc/37/64/65/1097376465.db2.gz OQRAQDGRXOXIIW-UKPHBRMFSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ncsc2C1 ZINC001173233233 1097377495 /nfs/dbraw/zinc/37/74/95/1097377495.db2.gz JRZSAOJJLIHNBV-LLVKDONJSA-N 1 0 303.387 3.041 20 5 DGBDRO CC(C)c1cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)on1 ZINC001173235311 1097378349 /nfs/dbraw/zinc/37/83/49/1097378349.db2.gz SFMWESVAQNANTP-LBPRGKRZSA-N 1 0 303.362 3.427 20 5 DGBDRO CC(C)N(CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001173212274 1097381202 /nfs/dbraw/zinc/38/12/02/1097381202.db2.gz YUCDGZKTPQIZCJ-OAHLLOKOSA-N 1 0 307.438 3.234 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)nc1 ZINC001173213605 1097381826 /nfs/dbraw/zinc/38/18/26/1097381826.db2.gz GQHHZKLEVBICGN-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229831208 1097394950 /nfs/dbraw/zinc/39/49/50/1097394950.db2.gz KSWXXQOLUTVPGT-LBPRGKRZSA-N 1 0 318.295 3.477 20 5 DGBDRO CCOC(=O)CCCc1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001230008465 1097428050 /nfs/dbraw/zinc/42/80/50/1097428050.db2.gz SYFHGGZGIKHWOV-HNNXBMFYSA-N 1 0 308.442 3.046 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(CCC(=O)C(F)(F)F)cc1 ZINC001230644053 1097544271 /nfs/dbraw/zinc/54/42/71/1097544271.db2.gz ZBJWQZWMQZVQDA-GFCCVEGCSA-N 1 0 318.359 3.224 20 5 DGBDRO C[N@@H+]1CC[C@@H](Oc2c3c(O)cccc3cc3cccc(O)c32)C1 ZINC001230760907 1097576149 /nfs/dbraw/zinc/57/61/49/1097576149.db2.gz KBXYCGDBWDGLCM-CQSZACIVSA-N 1 0 309.365 3.487 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC001174705096 1097813321 /nfs/dbraw/zinc/81/33/21/1097813321.db2.gz QAZJQQBAMLJZQW-OAHLLOKOSA-N 1 0 304.390 3.486 20 5 DGBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219094 1097972019 /nfs/dbraw/zinc/97/20/19/1097972019.db2.gz QTTCLCMDFVEVIR-CXAGYDPISA-N 1 0 307.397 3.128 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@]1(C)O ZINC001232218843 1097972252 /nfs/dbraw/zinc/97/22/52/1097972252.db2.gz MJBVIOMKKTYFJW-VLIAUNLRSA-N 1 0 321.424 3.376 20 5 DGBDRO OCC[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232221877 1097973058 /nfs/dbraw/zinc/97/30/58/1097973058.db2.gz FYQZQAOJUJEWBG-HNNXBMFYSA-N 1 0 321.424 3.377 20 5 DGBDRO CCC(C)(CC)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001176519998 1098374564 /nfs/dbraw/zinc/37/45/64/1098374564.db2.gz IJFITRHBSHAYCE-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO CCC(C)(CC)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001176530296 1098377147 /nfs/dbraw/zinc/37/71/47/1098377147.db2.gz IRCZTFKFIUDTFH-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)C1CCCCC1 ZINC001177624342 1098569658 /nfs/dbraw/zinc/56/96/58/1098569658.db2.gz JYLDZAHPMOHYAN-QGZVFWFLSA-N 1 0 306.406 3.242 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc3cc[nH]c3c2)cc1 ZINC001177683838 1098577746 /nfs/dbraw/zinc/57/77/46/1098577746.db2.gz XJWUQVDTDQZPFE-UHFFFAOYSA-N 1 0 311.341 3.245 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccc(O)cc1 ZINC001177764080 1098603006 /nfs/dbraw/zinc/60/30/06/1098603006.db2.gz BBVALUVGMMWPIB-UHFFFAOYSA-N 1 0 300.358 3.250 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nccc3c1cccc3[N+](=O)[O-])C2 ZINC001234674756 1098641587 /nfs/dbraw/zinc/64/15/87/1098641587.db2.gz RQMRKYRXQIWILS-ITGUQSILSA-N 1 0 313.357 3.147 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234675967 1098642990 /nfs/dbraw/zinc/64/29/90/1098642990.db2.gz GWHOKHNYUZRWEJ-CYBMUJFWSA-N 1 0 315.373 3.395 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC001180024283 1099284462 /nfs/dbraw/zinc/28/44/62/1099284462.db2.gz JUUVNBGPJHNFIJ-MRXNPFEDSA-N 1 0 317.433 3.272 20 5 DGBDRO Cc1nnc([C@@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC001180674095 1099489162 /nfs/dbraw/zinc/48/91/62/1099489162.db2.gz SGHBSQWOXDLEKC-GHMZBOCLSA-N 1 0 320.418 3.427 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC(C)(C)CC1 ZINC001191297339 1100445535 /nfs/dbraw/zinc/44/55/35/1100445535.db2.gz FSPUFQVOAVFOHI-CYBMUJFWSA-N 1 0 319.405 3.434 20 5 DGBDRO O=[N+]([O-])CC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001194723741 1100999501 /nfs/dbraw/zinc/99/95/01/1100999501.db2.gz MFCDSCZIJIADBC-UHFFFAOYSA-N 1 0 318.295 3.041 20 5 DGBDRO Cc1c(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001194962944 1101045642 /nfs/dbraw/zinc/04/56/42/1101045642.db2.gz HIJXKBVTYFBXSE-LBPRGKRZSA-N 1 0 322.405 3.313 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001197823631 1101683697 /nfs/dbraw/zinc/68/36/97/1101683697.db2.gz ONRYXFYJHXYEJS-UHFFFAOYSA-N 1 0 322.409 3.145 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C/C=C\C3CC3)CC2)cc1 ZINC001326286351 1103257513 /nfs/dbraw/zinc/25/75/13/1103257513.db2.gz PFPDLXNCNXBCRA-UPHRSURJSA-N 1 0 301.390 3.119 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001330314924 1104537723 /nfs/dbraw/zinc/53/77/23/1104537723.db2.gz GVALYTAPTYERDN-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246616539 1104629996 /nfs/dbraw/zinc/62/99/96/1104629996.db2.gz WZCKIJDFMQWMLT-MAUKXSAKSA-N 1 0 317.433 3.134 20 5 DGBDRO N[C@H](C[NH3+])c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001249127259 1105229196 /nfs/dbraw/zinc/22/91/96/1105229196.db2.gz ITHPMOAGBVTFGH-MRXNPFEDSA-N 1 0 304.353 3.002 20 5 DGBDRO Cc1ccccc1-c1noc(C[C@@H]([NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC001249343186 1105271753 /nfs/dbraw/zinc/27/17/53/1105271753.db2.gz YAAYWKPYZNTMDO-OAHLLOKOSA-N 1 0 324.340 3.196 20 5 DGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cccc(Cn2ccnc2)c1 ZINC001249548403 1105310045 /nfs/dbraw/zinc/31/00/45/1105310045.db2.gz LVRFFSXGAYKNTF-UHFFFAOYSA-N 1 0 309.329 3.287 20 5 DGBDRO C[NH+](C)Cc1ccc2[nH]c(-c3cc(F)ccc3[N+](=O)[O-])nc2c1 ZINC001250656710 1105555591 /nfs/dbraw/zinc/55/55/91/1105555591.db2.gz FCRRBWBUOPQYKW-UHFFFAOYSA-N 1 0 314.320 3.339 20 5 DGBDRO C[NH+](C)Cc1ccc2[nH]c(-c3ccc(F)cc3[N+](=O)[O-])nc2c1 ZINC001250853152 1105594551 /nfs/dbraw/zinc/59/45/51/1105594551.db2.gz QIKPYGIYXCVOJW-UHFFFAOYSA-N 1 0 314.320 3.339 20 5 DGBDRO C[NH+](C)Cc1ccc2[nH]c(-c3c(F)cccc3[N+](=O)[O-])nc2c1 ZINC001250912762 1105602822 /nfs/dbraw/zinc/60/28/22/1105602822.db2.gz MFPAZEHRFLDYNE-UHFFFAOYSA-N 1 0 314.320 3.339 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC001254466533 1106077125 /nfs/dbraw/zinc/07/71/25/1106077125.db2.gz BDVLNRGVFBEBIT-PMUMKWKESA-N 1 0 315.417 3.342 20 5 DGBDRO C[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1F ZINC001254474684 1106077793 /nfs/dbraw/zinc/07/77/93/1106077793.db2.gz SRWNGCUAWHOXJD-CXAGYDPISA-N 1 0 321.396 3.244 20 5 DGBDRO CCC1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001254470220 1106077934 /nfs/dbraw/zinc/07/79/34/1106077934.db2.gz KKLVYOOFHHGRMJ-UHFFFAOYSA-N 1 0 303.406 3.486 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCC(CF)CC3)CC2)cc1 ZINC001254478833 1106079035 /nfs/dbraw/zinc/07/90/35/1106079035.db2.gz LCRXQNGUSHECGW-UHFFFAOYSA-N 1 0 321.396 3.245 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC4(CCC4)C3)CC2)cc1 ZINC001254479483 1106079158 /nfs/dbraw/zinc/07/91/58/1106079158.db2.gz AZJRACJZIHQLIY-UHFFFAOYSA-N 1 0 315.417 3.440 20 5 DGBDRO Cc1cccc2ncc(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])n21 ZINC001254532210 1106096870 /nfs/dbraw/zinc/09/68/70/1106096870.db2.gz KQDUNYNKAUBNAE-CYBMUJFWSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(C(N)=[NH2+])c1ccccc1F ZINC001254537951 1106097646 /nfs/dbraw/zinc/09/76/46/1106097646.db2.gz KPQSXWHUVJJCEJ-LLVKDONJSA-N 1 0 316.336 3.065 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])c1ccc(Cl)nc1 ZINC001254534914 1106097701 /nfs/dbraw/zinc/09/77/01/1106097701.db2.gz DOHJONHQBRXIPC-SNVBAGLBSA-N 1 0 318.764 3.189 20 5 DGBDRO CC(=O)[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001254537887 1106098251 /nfs/dbraw/zinc/09/82/51/1106098251.db2.gz JGWZZOQEDBKUCJ-FZKQIMNGSA-N 1 0 312.369 3.446 20 5 DGBDRO CCCCN(CC)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254535377 1106098305 /nfs/dbraw/zinc/09/83/05/1106098305.db2.gz IVDLCJSMOCRLSG-OAHLLOKOSA-N 1 0 307.438 3.237 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(F)cn1 ZINC001254536773 1106098407 /nfs/dbraw/zinc/09/84/07/1106098407.db2.gz SWHPYEDNNSVSEQ-RYUDHWBXSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(CCO)CC1 ZINC001254548264 1106100304 /nfs/dbraw/zinc/10/03/04/1106100304.db2.gz MLZKHLVQXFDPNK-HLIUYOAVSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001254550578 1106101524 /nfs/dbraw/zinc/10/15/24/1106101524.db2.gz MGXFMJHEDDKNSS-FRFSOERESA-N 1 0 304.390 3.027 20 5 DGBDRO COCC[C@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254561680 1106103993 /nfs/dbraw/zinc/10/39/93/1106103993.db2.gz IERXFWJSDHGIPK-GOEBONIOSA-N 1 0 306.406 3.417 20 5 DGBDRO CCN(CC[NH+](CC)CC)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563627 1106104174 /nfs/dbraw/zinc/10/41/74/1106104174.db2.gz ZRJLBUNBKWTADD-OAHLLOKOSA-N 1 0 307.438 3.190 20 5 DGBDRO CCCOC1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254561741 1106104473 /nfs/dbraw/zinc/10/44/73/1106104473.db2.gz IUSUBRSTAOFGRG-AWEZNQCLSA-N 1 0 306.406 3.417 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(F)cc1F)C2 ZINC001254566151 1106104780 /nfs/dbraw/zinc/10/47/80/1106104780.db2.gz IHRIHTIPKIFFDY-AWEZNQCLSA-N 1 0 304.296 3.130 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001254565457 1106105065 /nfs/dbraw/zinc/10/50/65/1106105065.db2.gz PGDOJBARRZUSHX-UKRRQHHQSA-N 1 0 322.380 3.119 20 5 DGBDRO CC(C)([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)c1ccccc1 ZINC001254567834 1106105131 /nfs/dbraw/zinc/10/51/31/1106105131.db2.gz PGYTVPWKPLNPMZ-INIZCTEOSA-N 1 0 324.380 3.313 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](CF)c1ccccc1)C2 ZINC001254576611 1106107540 /nfs/dbraw/zinc/10/75/40/1106107540.db2.gz YURIJVQFBNDTNZ-NVXWUHKLSA-N 1 0 300.333 3.362 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]1c1ccc(F)cc1)C2 ZINC001254579614 1106107639 /nfs/dbraw/zinc/10/76/39/1106107639.db2.gz UMKWBDYJAVSYAK-BPQIPLTHSA-N 1 0 312.344 3.347 20 5 DGBDRO CC(C)c1ncc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)s1 ZINC001254582444 1106108578 /nfs/dbraw/zinc/10/85/78/1106108578.db2.gz UPYVOQFRKHWQOK-ZDUSSCGKSA-N 1 0 317.414 3.432 20 5 DGBDRO Cc1cc2c(cn1)[C@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254586299 1106109113 /nfs/dbraw/zinc/10/91/13/1106109113.db2.gz PLXFEBVMQWCXQZ-MAUKXSAKSA-N 1 0 309.369 3.043 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCc3ccccc31)C2 ZINC001254586214 1106109157 /nfs/dbraw/zinc/10/91/57/1106109157.db2.gz IMYFPWKITYKRRF-NVXWUHKLSA-N 1 0 308.381 3.382 20 5 DGBDRO Cc1ccnc(C2(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254585720 1106109302 /nfs/dbraw/zinc/10/93/02/1106109302.db2.gz FJOVHZSYONQPNV-MRXNPFEDSA-N 1 0 323.396 3.087 20 5 DGBDRO Cc1cccc2c1CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599673 1106110731 /nfs/dbraw/zinc/11/07/31/1106110731.db2.gz OHNSFOAMOXYKIN-GOSISDBHSA-N 1 0 308.381 3.429 20 5 DGBDRO C[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596711 1106110750 /nfs/dbraw/zinc/11/07/50/1106110750.db2.gz FLTRJKCXOOHOSM-ABAIWWIYSA-N 1 0 310.344 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](Oc3ccccc3)C1)C2 ZINC001254600357 1106110781 /nfs/dbraw/zinc/11/07/81/1106110781.db2.gz PCRDERPFPFLKNI-PKOBYXMFSA-N 1 0 324.380 3.215 20 5 DGBDRO Cc1cc([C@H]2CCC[N@@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254599269 1106110841 /nfs/dbraw/zinc/11/08/41/1106110841.db2.gz MZIGAQRPFFGANB-NVXWUHKLSA-N 1 0 313.357 3.196 20 5 DGBDRO Cc1cc([C@H]2CCC[N@@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254599262 1106110962 /nfs/dbraw/zinc/11/09/62/1106110962.db2.gz MZIGAQRPFFGANB-DOTOQJQBSA-N 1 0 313.357 3.196 20 5 DGBDRO CC(C)[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccncc1 ZINC001254599211 1106110985 /nfs/dbraw/zinc/11/09/85/1106110985.db2.gz MIAYDFRDYVSQEJ-FUHWJXTLSA-N 1 0 311.385 3.444 20 5 DGBDRO C[N@H+](Cc1cnc(Cl)s1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601031 1106111733 /nfs/dbraw/zinc/11/17/33/1106111733.db2.gz XKGQXMMDTHYDMT-GFCCVEGCSA-N 1 0 323.805 3.304 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@](C)(CO)C1 ZINC001320643807 1107085067 /nfs/dbraw/zinc/08/50/67/1107085067.db2.gz QGEBXQBQFFCELU-ZGUWOUCSSA-N 1 0 304.390 3.093 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001320951098 1107201003 /nfs/dbraw/zinc/20/10/03/1107201003.db2.gz JICMHJXCRHSUIF-RXBGNRNISA-N 1 0 315.417 3.168 20 5 DGBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001262010426 1107572674 /nfs/dbraw/zinc/57/26/74/1107572674.db2.gz FDUALZWKQQMNKK-NEPJUHHUSA-N 1 0 318.295 3.271 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCC[NH+]1CCCC1 ZINC001306916468 1111250198 /nfs/dbraw/zinc/25/01/98/1111250198.db2.gz DNYLNXGMDSVMTN-UHFFFAOYSA-N 1 0 303.284 3.121 20 5 DGBDRO CC(C)C[N@H+](C)CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001307158469 1111272697 /nfs/dbraw/zinc/27/26/97/1111272697.db2.gz ZUANRDIHYBMJOB-UHFFFAOYSA-N 1 0 320.437 3.258 20 5 DGBDRO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001307703583 1111329971 /nfs/dbraw/zinc/32/99/71/1111329971.db2.gz VUTNWVXNXLGLBQ-RWMBFGLXSA-N 1 0 305.378 3.042 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC001307718354 1111331604 /nfs/dbraw/zinc/33/16/04/1111331604.db2.gz ZCNPMCFCMAVFTP-UHFFFAOYSA-N 1 0 306.406 3.154 20 5 DGBDRO CCCN(CC[NH+]1CCCC1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001307756968 1111335870 /nfs/dbraw/zinc/33/58/70/1111335870.db2.gz GPCPPBQUIXXEJH-HNNXBMFYSA-N 1 0 305.422 3.464 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](CC(C)C)N(C)C ZINC001308193479 1111394510 /nfs/dbraw/zinc/39/45/10/1111394510.db2.gz ZMBRIDFDGDNBFR-HNNXBMFYSA-N 1 0 307.438 3.278 20 5 DGBDRO C[C@H]([N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(C)CC1 ZINC000128870083 432002038 /nfs/dbraw/zinc/00/20/38/432002038.db2.gz ULPHFDVXRGERFA-NSHDSACASA-N 1 0 323.368 3.183 20 5 DGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000278460433 214167146 /nfs/dbraw/zinc/16/71/46/214167146.db2.gz ASGNNHOYNAXZMH-UHFFFAOYSA-N 1 0 312.373 3.066 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000278530499 214215422 /nfs/dbraw/zinc/21/54/22/214215422.db2.gz UZZZTZYBVWQBCL-INIZCTEOSA-N 1 0 320.776 3.380 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000278634686 214292029 /nfs/dbraw/zinc/29/20/29/214292029.db2.gz FSMQAOYNYLGDTB-BXKDBHETSA-N 1 0 318.295 3.271 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H](CO)C2)c(Cl)c1 ZINC000314890232 231134711 /nfs/dbraw/zinc/13/47/11/231134711.db2.gz GRYUUNWSRFFZDB-NEPJUHHUSA-N 1 0 312.797 3.137 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@@H+]1C ZINC000316806990 231154073 /nfs/dbraw/zinc/15/40/73/231154073.db2.gz PKSGLUFXEBEDIE-RYUDHWBXSA-N 1 0 300.362 3.038 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000318785938 231175021 /nfs/dbraw/zinc/17/50/21/231175021.db2.gz FEDOLJNFVCTSKG-UHFFFAOYSA-N 1 0 320.315 3.008 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000319368367 231183878 /nfs/dbraw/zinc/18/38/78/231183878.db2.gz YKJBJCVJCWKCOG-DJIMGWMZSA-N 1 0 304.390 3.029 20 5 DGBDRO C[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000322225799 231208817 /nfs/dbraw/zinc/20/88/17/231208817.db2.gz ZNIUFXMIGJIAOJ-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc2ncccc21 ZINC000322601463 231212571 /nfs/dbraw/zinc/21/25/71/231212571.db2.gz MIALBWWRIDGIBO-CHWSQXEVSA-N 1 0 312.373 3.182 20 5 DGBDRO CC[C@]1(O)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000428429213 529442124 /nfs/dbraw/zinc/44/21/24/529442124.db2.gz FNKJDFXQKKSIHL-KRWDZBQOSA-N 1 0 316.357 3.202 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000063302471 432004689 /nfs/dbraw/zinc/00/46/89/432004689.db2.gz NVSNJGKXUFGWNT-GFCCVEGCSA-N 1 0 316.361 3.267 20 5 DGBDRO CC[C@H]([NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414526696 529582570 /nfs/dbraw/zinc/58/25/70/529582570.db2.gz LRWDYELZWXLSSL-QQGHQYIOSA-N 1 0 306.406 3.383 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000090085678 185281235 /nfs/dbraw/zinc/28/12/35/185281235.db2.gz HWSVZCUUNVVJBD-STQMWFEESA-N 1 0 324.421 3.441 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000318642995 529690455 /nfs/dbraw/zinc/69/04/55/529690455.db2.gz DNGHGNHTJCHLGP-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000181460815 199299376 /nfs/dbraw/zinc/29/93/76/199299376.db2.gz KPMUNWGJTOXUTL-WFASDCNBSA-N 1 0 312.797 3.231 20 5 DGBDRO COC[C@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000272805770 210207303 /nfs/dbraw/zinc/20/73/03/210207303.db2.gz FPTONJGIRRHYIJ-ZDUSSCGKSA-N 1 0 315.373 3.314 20 5 DGBDRO C[N@H+](CCCCNc1ccnc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000413349575 529884364 /nfs/dbraw/zinc/88/43/64/529884364.db2.gz SOJGGVYHWBCZTG-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[N@H+](CCNc1sccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301978726 529918335 /nfs/dbraw/zinc/91/83/35/529918335.db2.gz ACWSQNXQDAASAX-UHFFFAOYSA-N 1 0 309.366 3.339 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000413437734 530061022 /nfs/dbraw/zinc/06/10/22/530061022.db2.gz KQSZHMVPBUJDGQ-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO Cn1cc(C[NH2+]C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181952656 199367173 /nfs/dbraw/zinc/36/71/73/199367173.db2.gz GMROMNCHZZPJTK-UHFFFAOYSA-N 1 0 300.362 3.028 20 5 DGBDRO CC[C@H](COC)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279622607 215013325 /nfs/dbraw/zinc/01/33/25/215013325.db2.gz YIPHKQTTZBKUGD-LLVKDONJSA-N 1 0 306.284 3.128 20 5 DGBDRO CO[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000130279762 432019662 /nfs/dbraw/zinc/01/96/62/432019662.db2.gz XMYJEHVRKUUQHY-OAHLLOKOSA-N 1 0 316.357 3.466 20 5 DGBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279818879 215172767 /nfs/dbraw/zinc/17/27/67/215172767.db2.gz QIZAQWPDDDJZOW-DGCLKSJQSA-N 1 0 312.797 3.374 20 5 DGBDRO CC(C)n1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000080347042 192149883 /nfs/dbraw/zinc/14/98/83/192149883.db2.gz XQMONALPTUHCJB-UHFFFAOYSA-N 1 0 302.378 3.397 20 5 DGBDRO Cc1ccnc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301306955 229619308 /nfs/dbraw/zinc/61/93/08/229619308.db2.gz VJEKBRYXKAHQRD-BLLLJJGKSA-N 1 0 306.410 3.221 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000287147935 219342796 /nfs/dbraw/zinc/34/27/96/219342796.db2.gz FAFWDUQXSRMNTF-ZDUSSCGKSA-N 1 0 307.369 3.046 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000181920862 186219347 /nfs/dbraw/zinc/21/93/47/186219347.db2.gz GILXJIIXGUUMDB-BMFZPTHFSA-N 1 0 302.374 3.032 20 5 DGBDRO C[C@@H](CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237450816 186291351 /nfs/dbraw/zinc/29/13/51/186291351.db2.gz VLBLAESQUZDSTQ-SNVBAGLBSA-N 1 0 324.764 3.226 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000266844986 186356527 /nfs/dbraw/zinc/35/65/27/186356527.db2.gz HRGCGCUGEVZASW-GUYCJALGSA-N 1 0 300.358 3.287 20 5 DGBDRO COC[C@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172115893 198041637 /nfs/dbraw/zinc/04/16/37/198041637.db2.gz XSFQUXAVRIQHQC-LLVKDONJSA-N 1 0 321.402 3.090 20 5 DGBDRO COC[C@@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172115891 198041697 /nfs/dbraw/zinc/04/16/97/198041697.db2.gz XSFQUXAVRIQHQC-NSHDSACASA-N 1 0 321.402 3.090 20 5 DGBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000072543855 191190028 /nfs/dbraw/zinc/19/00/28/191190028.db2.gz QKVKFWQTDFLNEW-UHFFFAOYSA-N 1 0 316.361 3.409 20 5 DGBDRO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000449515402 535226435 /nfs/dbraw/zinc/22/64/35/535226435.db2.gz YZUGCPUXXAOCAL-UWWQBHOKSA-N 1 0 322.449 3.405 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000174816813 198389387 /nfs/dbraw/zinc/38/93/87/198389387.db2.gz HUKWDLBLJAHSKF-OAHLLOKOSA-N 1 0 320.780 3.282 20 5 DGBDRO COc1ccc(CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000131296510 432035087 /nfs/dbraw/zinc/03/50/87/432035087.db2.gz YOLVEGKBPXFMNU-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CCCCCC1 ZINC000073158389 191285681 /nfs/dbraw/zinc/28/56/81/191285681.db2.gz ZTYYGTQPKWEOSL-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000179141099 432044690 /nfs/dbraw/zinc/04/46/90/432044690.db2.gz WIDUYNMHEGTJNX-YGSJXBCNSA-N 1 0 316.401 3.216 20 5 DGBDRO COCc1cccc(CN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179187458 432048750 /nfs/dbraw/zinc/04/87/50/432048750.db2.gz IAEMUTJAGMCMBM-UHFFFAOYSA-N 1 0 300.358 3.373 20 5 DGBDRO CCC[NH2+]CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000236840192 202034665 /nfs/dbraw/zinc/03/46/65/202034665.db2.gz FKDAWAYYMJPFMU-UHFFFAOYSA-N 1 0 307.397 3.117 20 5 DGBDRO CCN(CC)c1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000236950037 202088966 /nfs/dbraw/zinc/08/89/66/202088966.db2.gz JNNUZERPUZMCJD-UHFFFAOYSA-N 1 0 320.418 3.187 20 5 DGBDRO COc1cc(C[NH2+]C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237132135 202162622 /nfs/dbraw/zinc/16/26/22/202162622.db2.gz BSTGDRCDRPBESV-UHFFFAOYSA-N 1 0 322.283 3.043 20 5 DGBDRO CCOc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000276846695 213130281 /nfs/dbraw/zinc/13/02/81/213130281.db2.gz CZEMLMMCMILKGV-IAGOWNOFSA-N 1 0 320.389 3.041 20 5 DGBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+](C2CCC2)C1 ZINC000292357192 223018190 /nfs/dbraw/zinc/01/81/90/223018190.db2.gz QEMPBRWKTVANMC-CYBMUJFWSA-N 1 0 321.396 3.040 20 5 DGBDRO CCn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000179320211 199015012 /nfs/dbraw/zinc/01/50/12/199015012.db2.gz NTQGXKRMOKBKBO-UHFFFAOYSA-N 1 0 302.378 3.222 20 5 DGBDRO Cn1cc(C[N@H+](C)C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179796502 199081326 /nfs/dbraw/zinc/08/13/26/199081326.db2.gz GETWJGBAZVVGQF-UHFFFAOYSA-N 1 0 314.389 3.370 20 5 DGBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCOC1 ZINC000180158306 199124905 /nfs/dbraw/zinc/12/49/05/199124905.db2.gz VWRKZKGXKDGGHK-CYBMUJFWSA-N 1 0 316.357 3.323 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000415101304 237076252 /nfs/dbraw/zinc/07/62/52/237076252.db2.gz AZFSINXCAUWXKP-IUYMFKLXSA-N 1 0 323.396 3.255 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000186794371 200012428 /nfs/dbraw/zinc/01/24/28/200012428.db2.gz ZYUYFSZWTZBVFS-KMANFZQXSA-N 1 0 318.417 3.199 20 5 DGBDRO CCn1cc([C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000449666960 240353855 /nfs/dbraw/zinc/35/38/55/240353855.db2.gz IHNGWGBRUFKTEV-WOLRVDTOSA-N 1 0 300.362 3.175 20 5 DGBDRO C[C@@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000187930305 200178590 /nfs/dbraw/zinc/17/85/90/200178590.db2.gz JOHBREJOLXJJIB-GFCCVEGCSA-N 1 0 306.362 3.083 20 5 DGBDRO C[NH+](C)C1(CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000416303336 237583265 /nfs/dbraw/zinc/58/32/65/237583265.db2.gz RCLGYIVRSPSRSL-UHFFFAOYSA-N 1 0 319.408 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCSCCCO)CCCC2 ZINC000417310581 237610752 /nfs/dbraw/zinc/61/07/52/237610752.db2.gz KLVOEMDVRUPZPK-MRXNPFEDSA-N 1 0 324.446 3.068 20 5 DGBDRO Cc1c(CN(C)C(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000419373276 237675311 /nfs/dbraw/zinc/67/53/11/237675311.db2.gz IQSHKXDDQNEBIG-UHFFFAOYSA-N 1 0 305.422 3.209 20 5 DGBDRO C[NH+](C)C1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000420622517 237704329 /nfs/dbraw/zinc/70/43/29/237704329.db2.gz FXOAYMALZAAJGQ-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1ccoc1CN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000292402284 223053298 /nfs/dbraw/zinc/05/32/98/223053298.db2.gz TXQPVJXRZXZAAQ-UHFFFAOYSA-N 1 0 305.290 3.036 20 5 DGBDRO CC1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)COC1 ZINC000180533547 432089285 /nfs/dbraw/zinc/08/92/85/432089285.db2.gz MNISZUVFIIDSPQ-KRWDZBQOSA-N 1 0 312.369 3.310 20 5 DGBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429115333 238040577 /nfs/dbraw/zinc/04/05/77/238040577.db2.gz OAWLFGBGXHOUMR-AWEZNQCLSA-N 1 0 312.369 3.420 20 5 DGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000429532958 238053849 /nfs/dbraw/zinc/05/38/49/238053849.db2.gz YUKONZKXYBLDKK-NVXWUHKLSA-N 1 0 322.405 3.429 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429575853 238055930 /nfs/dbraw/zinc/05/59/30/238055930.db2.gz AWLMRIHPGJPPHF-QWHCGFSZSA-N 1 0 308.378 3.103 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429584353 238056174 /nfs/dbraw/zinc/05/61/74/238056174.db2.gz DTDNTGCHQOHHOC-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301584984 229758779 /nfs/dbraw/zinc/75/87/79/229758779.db2.gz OOTSHRRAHWFDCR-QWHCGFSZSA-N 1 0 314.389 3.428 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCC[C@H]1C ZINC000430239685 238072054 /nfs/dbraw/zinc/07/20/54/238072054.db2.gz BPZWEBJPMMEDED-CZUORRHYSA-N 1 0 322.405 3.240 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432315174 238124821 /nfs/dbraw/zinc/12/48/21/238124821.db2.gz YBVXNNKMJIWUTC-QWHCGFSZSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@H](O)CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000433081298 238146066 /nfs/dbraw/zinc/14/60/66/238146066.db2.gz GNZGZWARKJGVJR-KSSFIOAISA-N 1 0 314.385 3.435 20 5 DGBDRO C[NH+](C)[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000433107442 238147455 /nfs/dbraw/zinc/14/74/55/238147455.db2.gz WHJOYAIUZAWCIP-MRXNPFEDSA-N 1 0 313.357 3.226 20 5 DGBDRO C[C@@H](O)CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000433174999 238149340 /nfs/dbraw/zinc/14/93/40/238149340.db2.gz KVNDLPACVVIALM-GFCCVEGCSA-N 1 0 304.346 3.105 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433804908 238168484 /nfs/dbraw/zinc/16/84/84/238168484.db2.gz SIZOZBZCEYWKRU-INIZCTEOSA-N 1 0 319.405 3.170 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435582297 238321357 /nfs/dbraw/zinc/32/13/57/238321357.db2.gz CNYJLVGPFJCUQX-CQSZACIVSA-N 1 0 304.394 3.199 20 5 DGBDRO CCOc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000058092730 283645184 /nfs/dbraw/zinc/64/51/84/283645184.db2.gz QGNYMQRWFHWVKY-UHFFFAOYSA-N 1 0 300.358 3.326 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271865962 209278761 /nfs/dbraw/zinc/27/87/61/209278761.db2.gz LNQGCYHCVIOYAE-CJNGLKHVSA-N 1 0 306.406 3.351 20 5 DGBDRO COc1ccccc1C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000194416024 201222913 /nfs/dbraw/zinc/22/29/13/201222913.db2.gz YORMLDBDGBZNIY-AWEZNQCLSA-N 1 0 314.385 3.367 20 5 DGBDRO COc1ccc(OCC[N@H+](CCC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000441191051 239017677 /nfs/dbraw/zinc/01/76/77/239017677.db2.gz UQSFWUNIFYSUQF-UHFFFAOYSA-N 1 0 322.405 3.493 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000441184687 239017876 /nfs/dbraw/zinc/01/78/76/239017876.db2.gz WQEAYPCATBGIOS-KGLIPLIRSA-N 1 0 322.405 3.493 20 5 DGBDRO CCO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000194465686 201233315 /nfs/dbraw/zinc/23/33/15/201233315.db2.gz SGGMEUOLWDXLGJ-KRWDZBQOSA-N 1 0 300.358 3.462 20 5 DGBDRO COc1ccc(OCC[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441312467 239033243 /nfs/dbraw/zinc/03/32/43/239033243.db2.gz ZXUULAURWFDPDF-BETUJISGSA-N 1 0 308.378 3.245 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000443643994 239223447 /nfs/dbraw/zinc/22/34/47/239223447.db2.gz WSZFEAOTICWOPB-STQMWFEESA-N 1 0 319.405 3.210 20 5 DGBDRO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C(C)(C)C1 ZINC000275462027 212347925 /nfs/dbraw/zinc/34/79/25/212347925.db2.gz KGVMTHGTIZGUIX-LLVKDONJSA-N 1 0 323.368 3.183 20 5 DGBDRO COCc1ccccc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449072528 240001684 /nfs/dbraw/zinc/00/16/84/240001684.db2.gz QAFGBNURZRPGLV-AWEZNQCLSA-N 1 0 314.385 3.462 20 5 DGBDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449099923 240016147 /nfs/dbraw/zinc/01/61/47/240016147.db2.gz PGVVDAGYCIHOGL-WDEREUQCSA-N 1 0 320.311 3.083 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1cnc2ccccc21 ZINC000449098064 240016814 /nfs/dbraw/zinc/01/68/14/240016814.db2.gz GZLDPKPGRNRRAL-CQSZACIVSA-N 1 0 324.384 3.165 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(O)cc1 ZINC000449100866 240018517 /nfs/dbraw/zinc/01/85/17/240018517.db2.gz CSYHABGWXYGVDE-CYBMUJFWSA-N 1 0 300.358 3.064 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC1CCCC1 ZINC000449107979 240021647 /nfs/dbraw/zinc/02/16/47/240021647.db2.gz RMOGLEATFVUIGY-AWEZNQCLSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449120832 240027911 /nfs/dbraw/zinc/02/79/11/240027911.db2.gz FOXWVPZUAZSANL-STQMWFEESA-N 1 0 322.405 3.236 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000449172153 240050285 /nfs/dbraw/zinc/05/02/85/240050285.db2.gz JOHNESYAACAXMI-LNRIEFBSSA-N 1 0 317.433 3.131 20 5 DGBDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449172449 240051084 /nfs/dbraw/zinc/05/10/84/240051084.db2.gz MFJHLWCLAAYOAI-FRFSOERESA-N 1 0 306.406 3.177 20 5 DGBDRO COC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000449180196 240054249 /nfs/dbraw/zinc/05/42/49/240054249.db2.gz YUFYPZUNMIUYGA-OCCSQVGLSA-N 1 0 304.346 3.096 20 5 DGBDRO COc1cc(F)cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449209028 240067470 /nfs/dbraw/zinc/06/74/70/240067470.db2.gz FMEYJUFFCSOTLC-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nccs1 ZINC000449221886 240075876 /nfs/dbraw/zinc/07/58/76/240075876.db2.gz HMDXGWHNONSSTB-LBPRGKRZSA-N 1 0 305.403 3.205 20 5 DGBDRO COCC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000449229535 240079435 /nfs/dbraw/zinc/07/94/35/240079435.db2.gz BUQNPRDHSXFVKR-ZFWWWQNUSA-N 1 0 318.373 3.486 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000449313229 240125598 /nfs/dbraw/zinc/12/55/98/240125598.db2.gz OGXOASLIUAVUMC-CYBMUJFWSA-N 1 0 324.384 3.234 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000449463829 240222700 /nfs/dbraw/zinc/22/27/00/240222700.db2.gz WXXXCULGNXIGJX-UXLLHSPISA-N 1 0 304.390 3.029 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000449475034 240230159 /nfs/dbraw/zinc/23/01/59/240230159.db2.gz DWJZOIHHHMZGRI-LBPRGKRZSA-N 1 0 308.353 3.173 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC3=CCCOC3)C2)cc1 ZINC000449501513 240250460 /nfs/dbraw/zinc/25/04/60/240250460.db2.gz PQTTWDKFCOUYNO-INIZCTEOSA-N 1 0 302.374 3.121 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cncs3)C2)cc1 ZINC000449505379 240253416 /nfs/dbraw/zinc/25/34/16/240253416.db2.gz XDQGXSOGCPPNGF-ZDUSSCGKSA-N 1 0 303.387 3.431 20 5 DGBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000449515363 240262484 /nfs/dbraw/zinc/26/24/84/240262484.db2.gz YVHMIQIPUTXJOM-ZBFHGGJFSA-N 1 0 312.385 3.113 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449589441 240310584 /nfs/dbraw/zinc/31/05/84/240310584.db2.gz MTAUQGBHHZFFQE-DZKOEADISA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N(C)C ZINC000449558167 240287163 /nfs/dbraw/zinc/28/71/63/240287163.db2.gz WDORCCWKFLYXML-LBPRGKRZSA-N 1 0 319.430 3.363 20 5 DGBDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449562310 240291190 /nfs/dbraw/zinc/29/11/90/240291190.db2.gz IYFBIKNVCOKSBD-UONOGXRCSA-N 1 0 316.405 3.483 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000449738543 240392763 /nfs/dbraw/zinc/39/27/63/240392763.db2.gz CRGRZNXLNZEIRY-LESCRADOSA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000078462214 283865620 /nfs/dbraw/zinc/86/56/20/283865620.db2.gz PYFKEIXXXLQNJN-HNNXBMFYSA-N 1 0 311.385 3.478 20 5 DGBDRO CC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000091919374 193126689 /nfs/dbraw/zinc/12/66/89/193126689.db2.gz DKNVOPHFWAUMST-LBPRGKRZSA-N 1 0 308.378 3.234 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451421932 241120148 /nfs/dbraw/zinc/12/01/48/241120148.db2.gz QRPMZYDADNHSES-DNNBLBMLSA-N 1 0 304.390 3.281 20 5 DGBDRO Cc1oncc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542877 241163971 /nfs/dbraw/zinc/16/39/71/241163971.db2.gz ANDSTGRUZCOTDY-AWEZNQCLSA-N 1 0 301.346 3.271 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H]3CCCCO3)C2)cc1 ZINC000451559589 241176065 /nfs/dbraw/zinc/17/60/65/241176065.db2.gz HHKWTVDJBMPVLV-DOTOQJQBSA-N 1 0 304.390 3.343 20 5 DGBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000451587309 241182087 /nfs/dbraw/zinc/18/20/87/241182087.db2.gz BQJLIBATGNMHJX-CABCVRRESA-N 1 0 320.389 3.115 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000451955382 241283037 /nfs/dbraw/zinc/28/30/37/241283037.db2.gz BDAJRNKDWIAZDM-MRXNPFEDSA-N 1 0 306.431 3.356 20 5 DGBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000452071122 241310094 /nfs/dbraw/zinc/31/00/94/241310094.db2.gz QNPUFEQZALMXTC-HZSPNIEDSA-N 1 0 319.405 3.338 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000193920503 283935177 /nfs/dbraw/zinc/93/51/77/283935177.db2.gz LSVOQZOZIPSVBN-BBRMVZONSA-N 1 0 319.405 3.037 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092642857 284007929 /nfs/dbraw/zinc/00/79/29/284007929.db2.gz CWDAQKOYODOCGF-SNVBAGLBSA-N 1 0 317.336 3.338 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000093443583 284012326 /nfs/dbraw/zinc/01/23/26/284012326.db2.gz QBLPOLDQOPYJBJ-PHIMTYICSA-N 1 0 312.316 3.428 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[C@@H]1C ZINC000467431756 243992658 /nfs/dbraw/zinc/99/26/58/243992658.db2.gz DKYNZYBDRBZELV-BFHYXJOUSA-N 1 0 319.405 3.338 20 5 DGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468551044 244051830 /nfs/dbraw/zinc/05/18/30/244051830.db2.gz BYWJCCMXWNALHL-OFQRWUPVSA-N 1 0 308.422 3.303 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000470178924 244157574 /nfs/dbraw/zinc/15/75/74/244157574.db2.gz PVYOXFYNAQKIOM-AJRXROEASA-N 1 0 316.401 3.357 20 5 DGBDRO CC[C@@]1(CO)CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470203109 244158206 /nfs/dbraw/zinc/15/82/06/244158206.db2.gz AKAICSUYPALKGW-QWSHFYNQSA-N 1 0 318.417 3.483 20 5 DGBDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471813651 244253618 /nfs/dbraw/zinc/25/36/18/244253618.db2.gz ZVXUGUKFNNBXFA-NWDGAFQWSA-N 1 0 318.398 3.278 20 5 DGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000118976779 284131100 /nfs/dbraw/zinc/13/11/00/284131100.db2.gz SDLSEGNFPWKKDC-BBRMVZONSA-N 1 0 319.405 3.400 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CCCCC1 ZINC000474141457 244373458 /nfs/dbraw/zinc/37/34/58/244373458.db2.gz IVJQTGXCLQZSKC-UHFFFAOYSA-N 1 0 321.421 3.418 20 5 DGBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000473820145 244350550 /nfs/dbraw/zinc/35/05/50/244350550.db2.gz BPIFLZZMRMEAJW-CHWSQXEVSA-N 1 0 322.405 3.396 20 5 DGBDRO CCCCN(CCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119785932 284151890 /nfs/dbraw/zinc/15/18/90/284151890.db2.gz VAIBZUHZNUBCMY-UHFFFAOYSA-N 1 0 300.786 3.233 20 5 DGBDRO CCOC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093418971 193249076 /nfs/dbraw/zinc/24/90/76/193249076.db2.gz ZHJFSHLQYXTOSC-RZIFZGNASA-N 1 0 304.390 3.357 20 5 DGBDRO Cc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093563799 193268739 /nfs/dbraw/zinc/26/87/39/193268739.db2.gz SQPCGBTZKVIAPU-KRWDZBQOSA-N 1 0 317.433 3.354 20 5 DGBDRO C[C@@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000478226387 244607535 /nfs/dbraw/zinc/60/75/35/244607535.db2.gz GZTVLHQYWCVYHL-INIZCTEOSA-N 1 0 310.369 3.155 20 5 DGBDRO C[NH2+]CCC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093633690 193277050 /nfs/dbraw/zinc/27/70/50/193277050.db2.gz NAPILHFOGDFSRY-UHFFFAOYSA-N 1 0 311.813 3.070 20 5 DGBDRO CC(C)[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000120732336 284177412 /nfs/dbraw/zinc/17/74/12/284177412.db2.gz LGTGZVCEVYIIQN-PBHICJAKSA-N 1 0 305.422 3.366 20 5 DGBDRO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000121585246 284201497 /nfs/dbraw/zinc/20/14/97/284201497.db2.gz HELRPGQNRJUDJQ-LSDHHAIUSA-N 1 0 305.422 3.367 20 5 DGBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCC[C@@H]1C ZINC000488038940 245138198 /nfs/dbraw/zinc/13/81/98/245138198.db2.gz IGUWXFUAMXOXSF-BBRMVZONSA-N 1 0 322.405 3.240 20 5 DGBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1C ZINC000488102746 245146857 /nfs/dbraw/zinc/14/68/57/245146857.db2.gz HQCJHURFAGYWCK-WMLDXEAASA-N 1 0 306.406 3.274 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000488734070 245224525 /nfs/dbraw/zinc/22/45/25/245224525.db2.gz PZKYORARQZNRGH-ZDUSSCGKSA-N 1 0 303.406 3.214 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000488858078 245242094 /nfs/dbraw/zinc/24/20/94/245242094.db2.gz BNWPCMZRELAICQ-CQSZACIVSA-N 1 0 303.406 3.216 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1F ZINC000282484172 217030700 /nfs/dbraw/zinc/03/07/00/217030700.db2.gz LYAMYYGZRNNRRJ-OAHLLOKOSA-N 1 0 308.353 3.173 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265578169 204711906 /nfs/dbraw/zinc/71/19/06/204711906.db2.gz VYJTVFITQICJNO-LLVKDONJSA-N 1 0 312.801 3.176 20 5 DGBDRO C[C@@H](CCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000266168094 205153306 /nfs/dbraw/zinc/15/33/06/205153306.db2.gz PYKWGCCTWBNSIF-LBPRGKRZSA-N 1 0 320.414 3.431 20 5 DGBDRO Cc1cnc(NC[C@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000266221093 205194611 /nfs/dbraw/zinc/19/46/11/205194611.db2.gz QLCUPOIZNDGNGL-GFCCVEGCSA-N 1 0 306.391 3.075 20 5 DGBDRO CCC(CC)(CCO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282920257 217325492 /nfs/dbraw/zinc/32/54/92/217325492.db2.gz HGEKHTAPXBENBL-UHFFFAOYSA-N 1 0 300.786 3.279 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCSC1 ZINC000288477167 220167827 /nfs/dbraw/zinc/16/78/27/220167827.db2.gz PLXITHKGKOMJAZ-GFCCVEGCSA-N 1 0 310.419 3.226 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)cc1F ZINC000282985620 217370603 /nfs/dbraw/zinc/37/06/03/217370603.db2.gz DQTMKLLFXHDUTN-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H](CC)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000492741982 245784566 /nfs/dbraw/zinc/78/45/66/245784566.db2.gz DXEAHBQUFYWNKR-HNNXBMFYSA-N 1 0 322.405 3.288 20 5 DGBDRO CC(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129870603 284425571 /nfs/dbraw/zinc/42/55/71/284425571.db2.gz PSDWTIJVJIESRF-DJIMGWMZSA-N 1 0 320.433 3.303 20 5 DGBDRO CCOC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494497128 246156230 /nfs/dbraw/zinc/15/62/30/246156230.db2.gz QTMXWXYRYMPABK-SECBINFHSA-N 1 0 306.284 3.128 20 5 DGBDRO COC(=O)Nc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000496138868 246359127 /nfs/dbraw/zinc/35/91/27/246359127.db2.gz GNLOBNSRTSHDEV-UHFFFAOYSA-N 1 0 315.329 3.063 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000267690113 206220276 /nfs/dbraw/zinc/22/02/76/206220276.db2.gz HQJJWCRZARVTEL-ZDUSSCGKSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000268812549 432141426 /nfs/dbraw/zinc/14/14/26/432141426.db2.gz BELFHKMLGRJOSD-VERVWZFWSA-N 1 0 318.398 3.183 20 5 DGBDRO O=[N+]([O-])c1ccccc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000038877825 183012195 /nfs/dbraw/zinc/01/21/95/183012195.db2.gz MKVLPEDWRNVEST-UHFFFAOYSA-N 1 0 312.373 3.318 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000284874714 218216321 /nfs/dbraw/zinc/21/63/21/218216321.db2.gz BBRJZGCQWINULT-JTQLQIEISA-N 1 0 319.336 3.176 20 5 DGBDRO C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284946846 218246252 /nfs/dbraw/zinc/24/62/52/218246252.db2.gz FALCTHQPUQPVHK-JSGCOSHPSA-N 1 0 307.394 3.177 20 5 DGBDRO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000105900648 194164609 /nfs/dbraw/zinc/16/46/09/194164609.db2.gz UFEXACGFIGGVCR-YOEHRIQHSA-N 1 0 314.389 3.498 20 5 DGBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285266018 218358736 /nfs/dbraw/zinc/35/87/36/218358736.db2.gz QPDASYWDOHSVPQ-NXEZZACHSA-N 1 0 318.377 3.236 20 5 DGBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285345906 218391486 /nfs/dbraw/zinc/39/14/86/218391486.db2.gz ALXHPVCFFPKVIO-NNQSOWQGSA-N 1 0 323.824 3.305 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245526989 284821012 /nfs/dbraw/zinc/82/10/12/284821012.db2.gz PQNDXXGGFVDKLJ-GDBMZVCRSA-N 1 0 305.422 3.380 20 5 DGBDRO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000245571828 284826857 /nfs/dbraw/zinc/82/68/57/284826857.db2.gz ZFEXSKLORHCKMQ-YXJHDRRASA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(O)cc1 ZINC000268840668 207006506 /nfs/dbraw/zinc/00/65/06/207006506.db2.gz ZMHAVFOUQLJPNM-AWEZNQCLSA-N 1 0 314.385 3.454 20 5 DGBDRO CCOCCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268913143 207081827 /nfs/dbraw/zinc/08/18/27/207081827.db2.gz ZMCOKYZWGJYRTD-MRXNPFEDSA-N 1 0 306.406 3.322 20 5 DGBDRO O=[N+]([O-])c1ccc(CCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157445235 197188090 /nfs/dbraw/zinc/18/80/90/197188090.db2.gz QSLKRCAYVAOMSH-QGZVFWFLSA-N 1 0 317.433 3.088 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000269068422 207216008 /nfs/dbraw/zinc/21/60/08/207216008.db2.gz WJFRAUZNYWIOKE-HUUCEWRRSA-N 1 0 304.346 3.271 20 5 DGBDRO C/C=C/C[C@H](CO)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000248651627 285014613 /nfs/dbraw/zinc/01/46/13/285014613.db2.gz XQPWWPTZUMALPE-YNEIGVHISA-N 1 0 318.417 3.223 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000161978455 197534055 /nfs/dbraw/zinc/53/40/55/197534055.db2.gz UHDRPCBPZSCTKJ-JMGFVUJMSA-N 1 0 304.390 3.367 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000249011102 285046027 /nfs/dbraw/zinc/04/60/27/285046027.db2.gz IQLRBMJOPNUYGR-FPMFFAJLSA-N 1 0 308.378 3.212 20 5 DGBDRO CO[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000249054070 285050203 /nfs/dbraw/zinc/05/02/03/285050203.db2.gz ORWXLNKTNNYTNT-ARFHVFGLSA-N 1 0 304.390 3.073 20 5 DGBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000299415920 252884152 /nfs/dbraw/zinc/88/41/52/252884152.db2.gz ITSWDIBNRDUJPG-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000336853245 253008070 /nfs/dbraw/zinc/00/80/70/253008070.db2.gz FYDZAXIFNNKISS-VXGBXAGGSA-N 1 0 300.362 3.038 20 5 DGBDRO CCOc1cccc(NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000336860470 253010910 /nfs/dbraw/zinc/01/09/10/253010910.db2.gz RFLOMUYWOULZNP-ZDUSSCGKSA-N 1 0 307.394 3.137 20 5 DGBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc2ncccc21 ZINC000264818033 285078521 /nfs/dbraw/zinc/07/85/21/285078521.db2.gz FSKWDAOUHOUXAX-ZBFHGGJFSA-N 1 0 312.373 3.182 20 5 DGBDRO COc1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c(F)cc1[N+](=O)[O-] ZINC000433792114 533033866 /nfs/dbraw/zinc/03/38/66/533033866.db2.gz GQIFMOJVMFKNMJ-LBPRGKRZSA-N 1 0 323.368 3.171 20 5 DGBDRO C[NH2+][C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435374168 533038929 /nfs/dbraw/zinc/03/89/29/533038929.db2.gz WOECTJMNOUGBDL-LBPRGKRZSA-N 1 0 317.414 3.117 20 5 DGBDRO C[C@@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000120159978 195109243 /nfs/dbraw/zinc/10/92/43/195109243.db2.gz YCOJWODVMVKUOU-MRXNPFEDSA-N 1 0 302.330 3.123 20 5 DGBDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000337451550 253118184 /nfs/dbraw/zinc/11/81/84/253118184.db2.gz FRNOJJRIRDWGCC-UHFFFAOYSA-N 1 0 319.405 3.434 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)C1CC1 ZINC000249768507 285087753 /nfs/dbraw/zinc/08/77/53/285087753.db2.gz BHWKCUQLJHAGNO-XKQJLSEDSA-N 1 0 318.417 3.057 20 5 DGBDRO CC1CC[NH+](CCCCNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286218273 218855803 /nfs/dbraw/zinc/85/58/03/218855803.db2.gz GRRGCXIRLIMQGO-UHFFFAOYSA-N 1 0 306.410 3.101 20 5 DGBDRO C[C@@H]([NH2+]CCCO[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000338289930 253258737 /nfs/dbraw/zinc/25/87/37/253258737.db2.gz PPLRWOIEDKQGJI-CZUORRHYSA-N 1 0 308.378 3.179 20 5 DGBDRO C[N@H+](CCCO[C@@H]1CCCCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000338373136 253275511 /nfs/dbraw/zinc/27/55/11/253275511.db2.gz INUNCDCLTIMBAH-QGZVFWFLSA-N 1 0 322.405 3.002 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000281891982 285111251 /nfs/dbraw/zinc/11/12/51/285111251.db2.gz AYEHUNXIDVMCFE-MRXNPFEDSA-N 1 0 304.390 3.076 20 5 DGBDRO CCc1noc(C)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338351578 253271037 /nfs/dbraw/zinc/27/10/37/253271037.db2.gz MFDBWUQCMGAJRD-UHFFFAOYSA-N 1 0 303.362 3.128 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186441477 285114592 /nfs/dbraw/zinc/11/45/92/285114592.db2.gz ROPQYEWHUGUOSQ-GOSISDBHSA-N 1 0 310.353 3.226 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000123109874 285116910 /nfs/dbraw/zinc/11/69/10/285116910.db2.gz LDUPHNOZXOYKEI-CYBMUJFWSA-N 1 0 309.797 3.217 20 5 DGBDRO Cc1nccn1CCCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000338717426 253340448 /nfs/dbraw/zinc/34/04/48/253340448.db2.gz XYTVAFKHNVIPAB-UHFFFAOYSA-N 1 0 311.345 3.150 20 5 DGBDRO CSC1(CNc2cccc(C)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000338726878 253342768 /nfs/dbraw/zinc/34/27/68/253342768.db2.gz UMNUKKFPKCWYOA-UHFFFAOYSA-N 1 0 309.435 3.143 20 5 DGBDRO Cc1nc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000272904185 210291005 /nfs/dbraw/zinc/29/10/05/210291005.db2.gz IZXZSJPNLMQBHQ-JSGCOSHPSA-N 1 0 318.421 3.363 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[C@@H](C)O ZINC000341300171 253784177 /nfs/dbraw/zinc/78/41/77/253784177.db2.gz LCJYGZVLKUYRHS-JHJVBQTASA-N 1 0 312.435 3.215 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000158257157 197258327 /nfs/dbraw/zinc/25/83/27/197258327.db2.gz WXVQTBUYIFZXRW-GDBMZVCRSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000158257293 197258120 /nfs/dbraw/zinc/25/81/20/197258120.db2.gz WXVQTBUYIFZXRW-GOEBONIOSA-N 1 0 314.385 3.157 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccsc2)n1 ZINC000447529826 285168475 /nfs/dbraw/zinc/16/84/75/285168475.db2.gz MUMGYRVJRBPSQL-QWHCGFSZSA-N 1 0 306.391 3.126 20 5 DGBDRO CC[C@@H](C)[NH2+][C@H](CNc1ncc(C)cc1[N+](=O)[O-])c1ccco1 ZINC000343267417 254122070 /nfs/dbraw/zinc/12/20/70/254122070.db2.gz UXHNSDZWWQKDKI-CHWSQXEVSA-N 1 0 318.377 3.433 20 5 DGBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000343960650 254206856 /nfs/dbraw/zinc/20/68/56/254206856.db2.gz MMLCUWVIIUJUJU-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000344190218 254237052 /nfs/dbraw/zinc/23/70/52/254237052.db2.gz PULZFOCNQPVBJR-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[N@@H+](C(C)C)CC1 ZINC000344221302 254241206 /nfs/dbraw/zinc/24/12/06/254241206.db2.gz PMJZNMLVRYACHA-HNNXBMFYSA-N 1 0 305.422 3.380 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000343993349 254210818 /nfs/dbraw/zinc/21/08/18/254210818.db2.gz ZJJUBYGDUWCXBY-DYVFJYSZSA-N 1 0 300.358 3.369 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000343993509 254210938 /nfs/dbraw/zinc/21/09/38/254210938.db2.gz OJUCGVVCGJARDX-TZMCWYRMSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000344376670 254264209 /nfs/dbraw/zinc/26/42/09/254264209.db2.gz GDCVDPCLLHBAHG-QGZVFWFLSA-N 1 0 316.357 3.371 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccco1 ZINC000344429875 254269900 /nfs/dbraw/zinc/26/99/00/254269900.db2.gz BTSQQHWTOJXCMS-ZDUSSCGKSA-N 1 0 304.350 3.078 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C(C)C)C(C)C ZINC000299590743 533138665 /nfs/dbraw/zinc/13/86/65/533138665.db2.gz ICEJZNQSPQYUBJ-UHFFFAOYSA-N 1 0 323.393 3.051 20 5 DGBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000120338870 195146540 /nfs/dbraw/zinc/14/65/40/195146540.db2.gz GAPMHZRAXWUDDX-UHFFFAOYSA-N 1 0 312.797 3.231 20 5 DGBDRO CC1(C)CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155123631 197024586 /nfs/dbraw/zinc/02/45/86/197024586.db2.gz BYLZISBBEVPWFD-CQSZACIVSA-N 1 0 305.378 3.092 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000154965865 197009015 /nfs/dbraw/zinc/00/90/15/197009015.db2.gz RDQKKHJIOAWJMG-AWEZNQCLSA-N 1 0 302.378 3.149 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000153961212 196924783 /nfs/dbraw/zinc/92/47/83/196924783.db2.gz XZYOSQHMMJJETM-ZDUSSCGKSA-N 1 0 324.421 3.443 20 5 DGBDRO CCC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271590411 209039224 /nfs/dbraw/zinc/03/92/24/209039224.db2.gz YGHKAEAQBSUHRV-QWHCGFSZSA-N 1 0 320.311 3.339 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000305766776 285301694 /nfs/dbraw/zinc/30/16/94/285301694.db2.gz GOINVUTZYIYXEZ-MWQQHZPXSA-N 1 0 318.417 3.199 20 5 DGBDRO C[NH+](C)C1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CCCC1 ZINC000322375605 285307278 /nfs/dbraw/zinc/30/72/78/285307278.db2.gz NAUVCEJJPYMITA-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@H]1CCCO1 ZINC000289803770 221236807 /nfs/dbraw/zinc/23/68/07/221236807.db2.gz NWTBPSOBVDRTCC-HZPDHXFCSA-N 1 0 304.390 3.027 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000339397727 285318412 /nfs/dbraw/zinc/31/84/12/285318412.db2.gz TWYLPKWSZMCWKV-NSHDSACASA-N 1 0 310.741 3.344 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000488570578 533382740 /nfs/dbraw/zinc/38/27/40/533382740.db2.gz DLAOHXHCCWAFDA-QWSHFYNQSA-N 1 0 317.433 3.270 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000470210213 533406295 /nfs/dbraw/zinc/40/62/95/533406295.db2.gz AFGQMWHBZMMULZ-WJANQJKRSA-N 1 0 318.417 3.481 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCCO)CC1 ZINC000470214269 533407280 /nfs/dbraw/zinc/40/72/80/533407280.db2.gz NULNOEKHRRMFHS-NTCAYCPXSA-N 1 0 318.417 3.483 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC(C)CC1 ZINC000468637287 533408890 /nfs/dbraw/zinc/40/88/90/533408890.db2.gz HSBCXAHCGDIADH-FOWTUZBSSA-N 1 0 317.433 3.320 20 5 DGBDRO C[C@@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423530904 533527487 /nfs/dbraw/zinc/52/74/87/533527487.db2.gz PUFOYXBENRFWJT-JEBQAFNWSA-N 1 0 311.385 3.001 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCCC1 ZINC000296733375 533504606 /nfs/dbraw/zinc/50/46/06/533504606.db2.gz OETFSUPWQJMHKS-UONOGXRCSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000413256969 533565338 /nfs/dbraw/zinc/56/53/38/533565338.db2.gz AFDSXTKKCJOQIL-ABAIWWIYSA-N 1 0 318.352 3.232 20 5 DGBDRO COc1ccccc1C[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000119778843 132137545 /nfs/dbraw/zinc/13/75/45/132137545.db2.gz YBGVKMFUTKGZSX-ZDUSSCGKSA-N 1 0 300.358 3.324 20 5 DGBDRO CCOC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595040862 400085644 /nfs/dbraw/zinc/08/56/44/400085644.db2.gz NCHILBZFDGFTBY-IUODEOHRSA-N 1 0 310.394 3.315 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000595050433 400089083 /nfs/dbraw/zinc/08/90/83/400089083.db2.gz IFYMSSDPMDDAIU-OLZOCXBDSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000595052021 400090513 /nfs/dbraw/zinc/09/05/13/400090513.db2.gz PNEIYFXBEWHSGQ-BZPMIXESSA-N 1 0 308.378 3.210 20 5 DGBDRO CCC(C)(C)OCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595053532 400091810 /nfs/dbraw/zinc/09/18/10/400091810.db2.gz VUURBTZAKRESRR-LBPRGKRZSA-N 1 0 310.394 3.459 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000595056431 400092517 /nfs/dbraw/zinc/09/25/17/400092517.db2.gz HGIXEBUPYNVNNQ-GDBMZVCRSA-N 1 0 319.449 3.378 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056568 400093283 /nfs/dbraw/zinc/09/32/83/400093283.db2.gz MIBKTMMGCBCJRO-CHWSQXEVSA-N 1 0 321.421 3.127 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccoc1)C1CC1 ZINC000595086473 400101783 /nfs/dbraw/zinc/10/17/83/400101783.db2.gz KHHFTRVFKWZUJU-MRXNPFEDSA-N 1 0 300.358 3.341 20 5 DGBDRO CCSC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595091298 400102935 /nfs/dbraw/zinc/10/29/35/400102935.db2.gz GVOFYMXWCDWODG-CHWSQXEVSA-N 1 0 324.450 3.150 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCc2ccco2)n1 ZINC000595092972 400104127 /nfs/dbraw/zinc/10/41/27/400104127.db2.gz BZEYJWPHWHASCI-LSDHHAIUSA-N 1 0 318.377 3.090 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000595106069 400107508 /nfs/dbraw/zinc/10/75/08/400107508.db2.gz HQSULONEQGOGKD-NEPJUHHUSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000595106073 400107515 /nfs/dbraw/zinc/10/75/15/400107515.db2.gz HQSULONEQGOGKD-RYUDHWBXSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000595022735 400079596 /nfs/dbraw/zinc/07/95/96/400079596.db2.gz VEXQDTSJWSOBLD-COLVAYQJSA-N 1 0 308.378 3.068 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000595031845 400082649 /nfs/dbraw/zinc/08/26/49/400082649.db2.gz GRSJLIQNJVRSEX-RWMBFGLXSA-N 1 0 308.378 3.069 20 5 DGBDRO COCCC(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033099 400083134 /nfs/dbraw/zinc/08/31/34/400083134.db2.gz PTKJSYKURCNVMI-GFCCVEGCSA-N 1 0 310.394 3.317 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CCO)C(C)(C)C ZINC000595034878 400083949 /nfs/dbraw/zinc/08/39/49/400083949.db2.gz YXUYQEWNGCTZHB-XHDPSFHLSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC1(OC)CCC1 ZINC000595038369 400085005 /nfs/dbraw/zinc/08/50/05/400085005.db2.gz MJIHQDQDXYGVNX-LBPRGKRZSA-N 1 0 308.378 3.213 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000595037321 400085101 /nfs/dbraw/zinc/08/51/01/400085101.db2.gz DVMVKBKUZBAJFM-WDEREUQCSA-N 1 0 317.345 3.116 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000322197640 400173584 /nfs/dbraw/zinc/17/35/84/400173584.db2.gz KVTOGPUWNXGCKT-MRXNPFEDSA-N 1 0 314.389 3.485 20 5 DGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595511694 400173772 /nfs/dbraw/zinc/17/37/72/400173772.db2.gz KACLJFUAHGPKHC-HUUCEWRRSA-N 1 0 310.369 3.416 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000609540444 400174419 /nfs/dbraw/zinc/17/44/19/400174419.db2.gz XTWPTVRRDBZXPD-ZDUSSCGKSA-N 1 0 302.330 3.056 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000609560990 400175234 /nfs/dbraw/zinc/17/52/34/400175234.db2.gz OWECBZVCAGWNQL-CYBMUJFWSA-N 1 0 314.389 3.110 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000595525226 400178011 /nfs/dbraw/zinc/17/80/11/400178011.db2.gz PXKUFCOHTBUOMD-GOEBONIOSA-N 1 0 312.385 3.113 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+](CCO)CC2CC2)o1 ZINC000092506003 400178077 /nfs/dbraw/zinc/17/80/77/400178077.db2.gz QGYHCQPTKZHZJX-UHFFFAOYSA-N 1 0 316.357 3.059 20 5 DGBDRO CC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000595536184 400178931 /nfs/dbraw/zinc/17/89/31/400178931.db2.gz OJYNVNMBUICAPR-GFCCVEGCSA-N 1 0 311.813 3.164 20 5 DGBDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000609599084 400180369 /nfs/dbraw/zinc/18/03/69/400180369.db2.gz KNKGBSFYGZDLQF-OAHLLOKOSA-N 1 0 314.341 3.217 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000609613664 400181663 /nfs/dbraw/zinc/18/16/63/400181663.db2.gz HCWHKMVZYLQRDH-HUUCEWRRSA-N 1 0 318.421 3.081 20 5 DGBDRO CN1CCN(c2sccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000588053676 400184111 /nfs/dbraw/zinc/18/41/11/400184111.db2.gz UBNNRKAFRLLLQI-CQSZACIVSA-N 1 0 317.414 3.019 20 5 DGBDRO Cc1c(C[N@@H+](C[C@@H](C)O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000608869027 400129014 /nfs/dbraw/zinc/12/90/14/400129014.db2.gz LGEPUMJUESQBNM-CYBMUJFWSA-N 1 0 306.406 3.419 20 5 DGBDRO COC(C)(C)[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000585725703 400134563 /nfs/dbraw/zinc/13/45/63/400134563.db2.gz GJQFVHNXPHOWFE-JTQLQIEISA-N 1 0 300.786 3.194 20 5 DGBDRO CCC[NH+](CCC)CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000609073513 400137943 /nfs/dbraw/zinc/13/79/43/400137943.db2.gz SQXKRPWXXYKDCT-UHFFFAOYSA-N 1 0 321.421 3.145 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000595423947 400145960 /nfs/dbraw/zinc/14/59/60/400145960.db2.gz SZPHWMRZWKVQBT-OAHLLOKOSA-N 1 0 308.353 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000315867779 400147435 /nfs/dbraw/zinc/14/74/35/400147435.db2.gz BCOOOYYQOQTWMN-CVEARBPZSA-N 1 0 323.824 3.355 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3C4CCC3CC4)o2)c1 ZINC000609193507 400150044 /nfs/dbraw/zinc/15/00/44/400150044.db2.gz LVSFQEJQJGYCPY-UHFFFAOYSA-N 1 0 313.357 3.419 20 5 DGBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC000600782089 400152278 /nfs/dbraw/zinc/15/22/78/400152278.db2.gz JJDSAAKCDXZUDH-UHFFFAOYSA-N 1 0 312.369 3.221 20 5 DGBDRO C/C(=C/c1ccccc1)CN(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595454687 400154693 /nfs/dbraw/zinc/15/46/93/400154693.db2.gz NNPASNCZZDBOFQ-XFXZXTDPSA-N 1 0 301.346 3.427 20 5 DGBDRO Cc1noc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595453855 400155263 /nfs/dbraw/zinc/15/52/63/400155263.db2.gz HROKDJJGUUOCTN-SNVBAGLBSA-N 1 0 321.299 3.302 20 5 DGBDRO COc1cc(NCC2([NH+](C)C)CCCC2)c(F)cc1[N+](=O)[O-] ZINC000318694650 400158732 /nfs/dbraw/zinc/15/87/32/400158732.db2.gz NWLMJXVWZSPJDV-UHFFFAOYSA-N 1 0 311.357 3.029 20 5 DGBDRO Cc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000024644256 400222116 /nfs/dbraw/zinc/22/21/16/400222116.db2.gz KAVZCYQUNXAPLA-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000588929994 400246754 /nfs/dbraw/zinc/24/67/54/400246754.db2.gz GSLDPNUPXYWFEL-AWEZNQCLSA-N 1 0 320.776 3.114 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)s1 ZINC000601140517 400246866 /nfs/dbraw/zinc/24/68/66/400246866.db2.gz WYJJMAWXTMACEI-TXEJJXNPSA-N 1 0 318.398 3.184 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000595563824 400189800 /nfs/dbraw/zinc/18/98/00/400189800.db2.gz ULDJDTRIAYGANQ-DZGCQCFKSA-N 1 0 308.353 3.125 20 5 DGBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000609839920 400195153 /nfs/dbraw/zinc/19/51/53/400195153.db2.gz KRKOPOIPXJNJBL-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCCC2=O)CC1 ZINC000595806201 400265452 /nfs/dbraw/zinc/26/54/52/400265452.db2.gz JLJDMXFFNQJWSP-CYBMUJFWSA-N 1 0 302.374 3.491 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000610511321 400267912 /nfs/dbraw/zinc/26/79/12/400267912.db2.gz BFLAFYMJWOESID-UHFFFAOYSA-N 1 0 319.405 3.422 20 5 DGBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206404 400276867 /nfs/dbraw/zinc/27/68/67/400276867.db2.gz VSWGIQPDMCPMLT-IAQYHMDHSA-N 1 0 311.813 3.020 20 5 DGBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206406 400277024 /nfs/dbraw/zinc/27/70/24/400277024.db2.gz VSWGIQPDMCPMLT-NHYWBVRUSA-N 1 0 311.813 3.020 20 5 DGBDRO Cc1noc(C[N@H+](C)C[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000595881512 400286534 /nfs/dbraw/zinc/28/65/34/400286534.db2.gz SYRIIMFZSDVYQR-ZDUSSCGKSA-N 1 0 301.346 3.053 20 5 DGBDRO Cc1c(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC000595904288 400290513 /nfs/dbraw/zinc/29/05/13/400290513.db2.gz CHTDRTPOEYCEKJ-HDICACEKSA-N 1 0 316.401 3.296 20 5 DGBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCCCC1 ZINC000595910985 400291728 /nfs/dbraw/zinc/29/17/28/400291728.db2.gz VISTVJUPIUKUMU-UHFFFAOYSA-N 1 0 308.378 3.042 20 5 DGBDRO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CC1(C)C ZINC000595908122 400291860 /nfs/dbraw/zinc/29/18/60/400291860.db2.gz GBXWCVJAVRPMTE-LBPRGKRZSA-N 1 0 316.361 3.123 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cs1 ZINC000595905553 400292584 /nfs/dbraw/zinc/29/25/84/400292584.db2.gz VJHUICZRGRQBMU-GASCZTMLSA-N 1 0 308.403 3.049 20 5 DGBDRO C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CC[NH3+] ZINC000404322893 400296079 /nfs/dbraw/zinc/29/60/79/400296079.db2.gz RYCDUKSITQBPJD-NHYWBVRUSA-N 1 0 311.813 3.198 20 5 DGBDRO Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000610729631 400297894 /nfs/dbraw/zinc/29/78/94/400297894.db2.gz WVYVZTHJOSLPAZ-INIZCTEOSA-N 1 0 318.352 3.113 20 5 DGBDRO O=[N+]([O-])c1cccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000069032988 400305993 /nfs/dbraw/zinc/30/59/93/400305993.db2.gz ZXDWMHVXKUABLZ-QGZVFWFLSA-N 1 0 303.406 3.045 20 5 DGBDRO CC(=O)c1cc(NC[C@H](C(C)C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596071158 400309601 /nfs/dbraw/zinc/30/96/01/400309601.db2.gz XJAKVTIDHHPVIC-QGZVFWFLSA-N 1 0 319.405 3.330 20 5 DGBDRO C[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094296 400315294 /nfs/dbraw/zinc/31/52/94/400315294.db2.gz JRYFJXFPWMMJBU-HOCLYGCPSA-N 1 0 317.433 3.367 20 5 DGBDRO COc1cc(N[C@H](C)CC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596099093 400317890 /nfs/dbraw/zinc/31/78/90/400317890.db2.gz QKYZRRMNSFKYEK-SECBINFHSA-N 1 0 301.774 3.009 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000030142143 400320855 /nfs/dbraw/zinc/32/08/55/400320855.db2.gz NCNSCXUYQSVJSK-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000601191098 400259070 /nfs/dbraw/zinc/25/90/70/400259070.db2.gz HUJMJLVDQPGGGX-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000030142739 400321394 /nfs/dbraw/zinc/32/13/94/400321394.db2.gz ILOIKOXPQIDPRE-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595787663 400260167 /nfs/dbraw/zinc/26/01/67/400260167.db2.gz FTURQROTMVNNIN-NVXWUHKLSA-N 1 0 304.390 3.376 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611350082 400382585 /nfs/dbraw/zinc/38/25/85/400382585.db2.gz ATIXNIHRQZEVMY-KBPBESRZSA-N 1 0 322.380 3.373 20 5 DGBDRO CC[C@@H](CSC)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000611350703 400383456 /nfs/dbraw/zinc/38/34/56/400383456.db2.gz QUEGQIDPTIXTOW-ZDUSSCGKSA-N 1 0 312.435 3.437 20 5 DGBDRO CCOc1cc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596334564 400383654 /nfs/dbraw/zinc/38/36/54/400383654.db2.gz CGOHSBZBDKPHDO-ZDUSSCGKSA-N 1 0 307.394 3.278 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000596337429 400384612 /nfs/dbraw/zinc/38/46/12/400384612.db2.gz XGVJXFRMBDYATC-LBPRGKRZSA-N 1 0 314.389 3.428 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000596337387 400384714 /nfs/dbraw/zinc/38/47/14/400384714.db2.gz WFTYVJCFNHBEDW-LBPRGKRZSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CO)CC3CC3)o2)c1 ZINC000611108270 400346113 /nfs/dbraw/zinc/34/61/13/400346113.db2.gz UNZJPAACSRCYQW-CQSZACIVSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC13CCC(CC1)C3)OCCO2 ZINC000611134765 400349607 /nfs/dbraw/zinc/34/96/07/400349607.db2.gz MKNMJWSDECLSFY-UHFFFAOYSA-N 1 0 318.373 3.036 20 5 DGBDRO O=C(C[N@@H+]1CCCC12CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000611153879 400351697 /nfs/dbraw/zinc/35/16/97/400351697.db2.gz GXVHNEIDKKARFR-UHFFFAOYSA-N 1 0 317.389 3.332 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000072608913 400392900 /nfs/dbraw/zinc/39/29/00/400392900.db2.gz COTNGBATEMXFMN-HNNXBMFYSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596241220 400358904 /nfs/dbraw/zinc/35/89/04/400358904.db2.gz PHBPCUUEJVZZKM-NSHDSACASA-N 1 0 309.435 3.275 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H]1CCCC[N@H+]1C(C)C ZINC000596264866 400365928 /nfs/dbraw/zinc/36/59/28/400365928.db2.gz NBRNCLSMHVJMBF-OAHLLOKOSA-N 1 0 320.389 3.439 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]3CCC[C@@H]31)OCCO2 ZINC000611265441 400367737 /nfs/dbraw/zinc/36/77/37/400367737.db2.gz OOWUYECVGBKSLV-JSGCOSHPSA-N 1 0 318.373 3.131 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)cc1[N+](=O)[O-] ZINC000611266585 400367827 /nfs/dbraw/zinc/36/78/27/400367827.db2.gz GKDUOILMWJVFAI-UHFFFAOYSA-N 1 0 312.369 3.210 20 5 DGBDRO COc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596298681 400374037 /nfs/dbraw/zinc/37/40/37/400374037.db2.gz KYLOSBNDUTUNKP-AOOOYVTPSA-N 1 0 313.785 3.009 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000596305789 400374821 /nfs/dbraw/zinc/37/48/21/400374821.db2.gz ALTOTNIGAVGGKD-LBPRGKRZSA-N 1 0 314.389 3.428 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000596309262 400376838 /nfs/dbraw/zinc/37/68/38/400376838.db2.gz RDQBPOFLLSRVIU-GFCCVEGCSA-N 1 0 314.389 3.428 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000596309574 400376994 /nfs/dbraw/zinc/37/69/94/400376994.db2.gz VVXUNMKISFCEQQ-CYBMUJFWSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[NH+](C)C ZINC000596428631 400413465 /nfs/dbraw/zinc/41/34/65/400413465.db2.gz FWUVVOWRTZYLEZ-VIFPVBQESA-N 1 0 305.300 3.366 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000611516691 400414157 /nfs/dbraw/zinc/41/41/57/400414157.db2.gz XIVYEVACSCBDEC-HUUCEWRRSA-N 1 0 305.422 3.427 20 5 DGBDRO COCC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072712627 400399529 /nfs/dbraw/zinc/39/95/29/400399529.db2.gz YVNXXDJILCRJGY-UHFFFAOYSA-N 1 0 315.373 3.099 20 5 DGBDRO Cc1n[nH]cc1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611522217 400415426 /nfs/dbraw/zinc/41/54/26/400415426.db2.gz ZRBOWIVNDSVKKM-SECBINFHSA-N 1 0 308.769 3.173 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccc(CO)cc1 ZINC000611439462 400401705 /nfs/dbraw/zinc/40/17/05/400401705.db2.gz QBEMKNAEQQORBA-CQSZACIVSA-N 1 0 314.385 3.289 20 5 DGBDRO C[C@@H]1C[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000072873036 400410581 /nfs/dbraw/zinc/41/05/81/400410581.db2.gz FLRCXAOHULHOSQ-CHWSQXEVSA-N 1 0 315.373 3.380 20 5 DGBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000590657706 400410676 /nfs/dbraw/zinc/41/06/76/400410676.db2.gz OBCCETNMLDOSAF-CABCVRRESA-N 1 0 320.389 3.150 20 5 DGBDRO COc1cc(NCC[C@H](C)[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596426496 400412609 /nfs/dbraw/zinc/41/26/09/400412609.db2.gz AXXRVLAFKFEANV-VIFPVBQESA-N 1 0 301.774 3.009 20 5 DGBDRO COc1cc(N[C@@H](C)c2nccn2C)c(Cl)cc1[N+](=O)[O-] ZINC000596542149 400440174 /nfs/dbraw/zinc/44/01/74/400440174.db2.gz IVRHALATEVNMJO-QMMMGPOBSA-N 1 0 310.741 3.163 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602582641 400504091 /nfs/dbraw/zinc/50/40/91/400504091.db2.gz QUZXRRNLZQEXFR-NHYWBVRUSA-N 1 0 319.361 3.029 20 5 DGBDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000612194673 400506439 /nfs/dbraw/zinc/50/64/39/400506439.db2.gz HTTXHPXSRZFEEZ-INIZCTEOSA-N 1 0 312.369 3.251 20 5 DGBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCCC2)c2ncccc12 ZINC000073861661 400473635 /nfs/dbraw/zinc/47/36/35/400473635.db2.gz SVRCUERYYLDGTJ-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](C4CCC4)C3)nc2c1 ZINC000591063181 400481108 /nfs/dbraw/zinc/48/11/08/400481108.db2.gz ITNJYJFGTAUOTD-GFCCVEGCSA-N 1 0 300.362 3.093 20 5 DGBDRO CC(C)(C)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602552160 400495320 /nfs/dbraw/zinc/49/53/20/400495320.db2.gz GHRJEGJHFVVWDK-UHFFFAOYSA-N 1 0 320.437 3.375 20 5 DGBDRO COc1cc(C[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccn1 ZINC000602633979 400518933 /nfs/dbraw/zinc/51/89/33/400518933.db2.gz NGLQAKDGBFPYOW-GFCCVEGCSA-N 1 0 315.373 3.028 20 5 DGBDRO Cc1nocc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000602675305 400535708 /nfs/dbraw/zinc/53/57/08/400535708.db2.gz LXVZVTBZULMCOK-CZUORRHYSA-N 1 0 315.373 3.392 20 5 DGBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(O)CCCC1 ZINC000602682905 400537554 /nfs/dbraw/zinc/53/75/54/400537554.db2.gz UAUIUBGYKQKJFI-UHFFFAOYSA-N 1 0 306.406 3.058 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602691694 400541204 /nfs/dbraw/zinc/54/12/04/400541204.db2.gz QKCVJLQXDMJJBW-TXEJJXNPSA-N 1 0 318.295 3.271 20 5 DGBDRO Cc1c([C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000591582609 400543075 /nfs/dbraw/zinc/54/30/75/400543075.db2.gz NUEUPFZUSBWEGA-KGLIPLIRSA-N 1 0 303.406 3.229 20 5 DGBDRO COCC[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602698502 400543713 /nfs/dbraw/zinc/54/37/13/400543713.db2.gz VUQXIWOLVRJWRO-SNVBAGLBSA-N 1 0 320.311 3.376 20 5 DGBDRO Cc1ccc(C(C)(C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nc1 ZINC000602722981 400550362 /nfs/dbraw/zinc/55/03/62/400550362.db2.gz JTBJPTCYINFJKI-UHFFFAOYSA-N 1 0 313.401 3.408 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000602761266 400566589 /nfs/dbraw/zinc/56/65/89/400566589.db2.gz BFKFPMWCWOTTLD-ZDUSSCGKSA-N 1 0 302.378 3.101 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)CCc1ccccc1 ZINC000602773341 400569743 /nfs/dbraw/zinc/56/97/43/400569743.db2.gz OHBPEMOIBWKATA-UHFFFAOYSA-N 1 0 316.405 3.101 20 5 DGBDRO Cc1ncc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])s1 ZINC000602958439 400614713 /nfs/dbraw/zinc/61/47/13/400614713.db2.gz XSOCPUXNPSFBAA-SNVBAGLBSA-N 1 0 307.375 3.089 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CCO)c1ccccc1 ZINC000075897547 400619441 /nfs/dbraw/zinc/61/94/41/400619441.db2.gz PBHFGZVOJYTEDH-KRWDZBQOSA-N 1 0 300.358 3.150 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC(F)(F)C2)n1 ZINC000618574647 400627588 /nfs/dbraw/zinc/62/75/88/400627588.db2.gz FJTUPHOXZUELHB-SDDRHHMPSA-N 1 0 314.336 3.052 20 5 DGBDRO CC(C)(C)c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592356664 400637567 /nfs/dbraw/zinc/63/75/67/400637567.db2.gz CUKINDANJATOBG-GFCCVEGCSA-N 1 0 316.361 3.367 20 5 DGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000602813806 400582631 /nfs/dbraw/zinc/58/26/31/400582631.db2.gz ZIMNDYAVNJMCBQ-LBPRGKRZSA-N 1 0 322.434 3.114 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1nnc(C)s1 ZINC000597243144 400598491 /nfs/dbraw/zinc/59/84/91/400598491.db2.gz FOPCUXJWRPKYHV-XFFZJAGNSA-N 1 0 318.402 3.290 20 5 DGBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000592520795 400662663 /nfs/dbraw/zinc/66/26/63/400662663.db2.gz SKKIZRLAZIQPCF-AWEZNQCLSA-N 1 0 311.813 3.164 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000358088817 285967894 /nfs/dbraw/zinc/96/78/94/285967894.db2.gz SXTBSKOHCMOWJW-NWDGAFQWSA-N 1 0 308.378 3.366 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CN1CCCCC1 ZINC000151881540 400676592 /nfs/dbraw/zinc/67/65/92/400676592.db2.gz HBFQPDGXSWPKGT-HZPDHXFCSA-N 1 0 319.449 3.380 20 5 DGBDRO Cc1ccnc(N(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000603421650 400685067 /nfs/dbraw/zinc/68/50/67/400685067.db2.gz ADXWLKPUZKMRQG-UHFFFAOYSA-N 1 0 306.410 3.001 20 5 DGBDRO Cc1cc(N(C)CCCC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000603422831 400685165 /nfs/dbraw/zinc/68/51/65/400685165.db2.gz JOZZBPWEIKGBCH-UHFFFAOYSA-N 1 0 306.410 3.001 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000157710946 400720485 /nfs/dbraw/zinc/72/04/85/400720485.db2.gz OBHDCGWKDVWICS-ZFWWWQNUSA-N 1 0 303.406 3.038 20 5 DGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000603838174 400720513 /nfs/dbraw/zinc/72/05/13/400720513.db2.gz DEYIENPDRJTDAO-UHFFFAOYSA-N 1 0 300.358 3.496 20 5 DGBDRO CC(C)CC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000052246101 400725111 /nfs/dbraw/zinc/72/51/11/400725111.db2.gz POYFGFSBPUKQDY-UHFFFAOYSA-N 1 0 304.350 3.123 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc3ccccc3[nH]2)cc1 ZINC000618967073 400730286 /nfs/dbraw/zinc/73/02/86/400730286.db2.gz ATXGFMJAOZEYCH-UHFFFAOYSA-N 1 0 311.341 3.245 20 5 DGBDRO COc1ccccc1OCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000052452053 400732061 /nfs/dbraw/zinc/73/20/61/400732061.db2.gz ANICCKAXHJOVPP-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@H](CO)CC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000618986669 400739523 /nfs/dbraw/zinc/73/95/23/400739523.db2.gz DRXNHSFQIBMSGJ-BLLLJJGKSA-N 1 0 304.390 3.068 20 5 DGBDRO Cc1cccn2cc(CC[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)nc12 ZINC000156282341 400709822 /nfs/dbraw/zinc/70/98/22/400709822.db2.gz LOKZEIPUYSDZFB-AWEZNQCLSA-N 1 0 324.384 3.444 20 5 DGBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCCC1 ZINC000052908463 400753591 /nfs/dbraw/zinc/75/35/91/400753591.db2.gz VFAGSUGRLISDDY-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000078559569 400808921 /nfs/dbraw/zinc/80/89/21/400808921.db2.gz ZOGXJWAGLGPXOA-LBPRGKRZSA-N 1 0 311.813 3.416 20 5 DGBDRO C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000171911518 400810609 /nfs/dbraw/zinc/81/06/09/400810609.db2.gz SGDAXRXWTDOVRZ-UHFFFAOYSA-N 1 0 305.378 3.188 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000078576665 400811746 /nfs/dbraw/zinc/81/17/46/400811746.db2.gz JEDCKQKTRFNAPM-HNNXBMFYSA-N 1 0 314.389 3.064 20 5 DGBDRO CCOC(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000171034273 400783144 /nfs/dbraw/zinc/78/31/44/400783144.db2.gz JTWBSOZGQRPPSN-UHFFFAOYSA-N 1 0 308.378 3.149 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cncc(Cl)c1 ZINC000598613219 400843695 /nfs/dbraw/zinc/84/36/95/400843695.db2.gz FZKBCOPLGQGYNS-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO CCOc1cncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000598671463 400853997 /nfs/dbraw/zinc/85/39/97/400853997.db2.gz CUYJQGMJJZHQSY-UHFFFAOYSA-N 1 0 315.373 3.063 20 5 DGBDRO O=[N+]([O-])c1ccc(NCCNc2cc[nH+]c3c(O)cccc23)cc1 ZINC000619474406 400854269 /nfs/dbraw/zinc/85/42/69/400854269.db2.gz HZIDCHMMPHRPSU-UHFFFAOYSA-N 1 0 324.340 3.373 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000593989816 400936598 /nfs/dbraw/zinc/93/65/98/400936598.db2.gz XAAJZDKTEMDJQA-CYBMUJFWSA-N 1 0 301.321 3.118 20 5 DGBDRO C[C@H](CCO)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000593695194 400893668 /nfs/dbraw/zinc/89/36/68/400893668.db2.gz YKXBDTILBZKSAE-GFCCVEGCSA-N 1 0 304.346 3.058 20 5 DGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000619783788 400906233 /nfs/dbraw/zinc/90/62/33/400906233.db2.gz YPLYCISTVKFFQO-NSHDSACASA-N 1 0 319.386 3.336 20 5 DGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000079927328 400907616 /nfs/dbraw/zinc/90/76/16/400907616.db2.gz NAZOEXXGGSOCNE-KBPBESRZSA-N 1 0 306.410 3.160 20 5 DGBDRO Cn1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000619846233 400910299 /nfs/dbraw/zinc/91/02/99/400910299.db2.gz PXHODWZQGNJRMZ-UHFFFAOYSA-N 1 0 324.384 3.156 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000056197338 400914194 /nfs/dbraw/zinc/91/41/94/400914194.db2.gz FOUPIKQVOKCZTR-OLZOCXBDSA-N 1 0 319.405 3.083 20 5 DGBDRO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965668 400915314 /nfs/dbraw/zinc/91/53/14/400915314.db2.gz OIMKDHOYCBBUOU-ZFWWWQNUSA-N 1 0 305.422 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000594027637 400953390 /nfs/dbraw/zinc/95/33/90/400953390.db2.gz XTTVNEOWOWDBBY-KRWDZBQOSA-N 1 0 320.389 3.007 20 5 DGBDRO Cc1cccc2c1C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)CO2 ZINC000598986731 400921007 /nfs/dbraw/zinc/92/10/07/400921007.db2.gz MVZSHXGBMNSNQS-GFCCVEGCSA-N 1 0 304.371 3.058 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCCOC1 ZINC000598985669 400921212 /nfs/dbraw/zinc/92/12/12/400921212.db2.gz YCHYRVVTOIMOMH-YVGNARHYSA-N 1 0 304.390 3.404 20 5 DGBDRO COc1cccc([C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)OC)c1 ZINC000598988456 400922178 /nfs/dbraw/zinc/92/21/78/400922178.db2.gz RLEBIKMHDJTXTO-CQSZACIVSA-N 1 0 322.386 3.142 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000598994790 400922766 /nfs/dbraw/zinc/92/27/66/400922766.db2.gz RZTYOCIFIQYHRP-OBHPCNEJSA-N 1 0 317.433 3.320 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CCC(C)CC1 ZINC000198202666 400929171 /nfs/dbraw/zinc/92/91/71/400929171.db2.gz DAOSCXOZDBEPRZ-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000599022570 400929671 /nfs/dbraw/zinc/92/96/71/400929671.db2.gz RKFXNOLFGYTVJL-AWEZNQCLSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2scnc21 ZINC000599031632 400932934 /nfs/dbraw/zinc/93/29/34/400932934.db2.gz GSBOPXDRBXVIGR-GFCCVEGCSA-N 1 0 303.387 3.261 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000599041487 400935376 /nfs/dbraw/zinc/93/53/76/400935376.db2.gz DNBBHOHWTRYATP-NHYWBVRUSA-N 1 0 312.797 3.338 20 5 DGBDRO C[C@@H]1C[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])[C@@H](C)O1 ZINC000599086659 400955651 /nfs/dbraw/zinc/95/56/51/400955651.db2.gz RMNGEVSOTGERHE-NQBHXWOUSA-N 1 0 301.346 3.368 20 5 DGBDRO COc1cc(NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599165220 400981899 /nfs/dbraw/zinc/98/18/99/400981899.db2.gz NWMYFJXKKRWYSH-CQSZACIVSA-N 1 0 305.378 3.032 20 5 DGBDRO Cc1ccnc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599127956 400969833 /nfs/dbraw/zinc/96/98/33/400969833.db2.gz RWEDOOFRDPGXPM-AWEZNQCLSA-N 1 0 304.394 3.117 20 5 DGBDRO COc1cc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000599127029 400970126 /nfs/dbraw/zinc/97/01/26/400970126.db2.gz MJIHJCCKBTUGLQ-HNNXBMFYSA-N 1 0 319.405 3.422 20 5 DGBDRO Cc1ccnc(NC[C@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599127957 400970494 /nfs/dbraw/zinc/97/04/94/400970494.db2.gz RWEDOOFRDPGXPM-CQSZACIVSA-N 1 0 304.394 3.117 20 5 DGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000057156954 400977071 /nfs/dbraw/zinc/97/70/71/400977071.db2.gz IFVBUMVWTCIXKQ-CQSZACIVSA-N 1 0 321.421 3.144 20 5 DGBDRO CCOc1cc(C[NH+]2CCC(CCOC)CC2)ccc1[N+](=O)[O-] ZINC000599507887 401062988 /nfs/dbraw/zinc/06/29/88/401062988.db2.gz VQTVEIDVVJHGQW-UHFFFAOYSA-N 1 0 322.405 3.242 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000594502707 401082383 /nfs/dbraw/zinc/08/23/83/401082383.db2.gz NTFVIWIJESEECT-MJEQTWJJSA-N 1 0 304.390 3.375 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000060089770 401100758 /nfs/dbraw/zinc/10/07/58/401100758.db2.gz GWKOYJWSEXMNLF-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[N@@H+]1C ZINC000255020092 401101946 /nfs/dbraw/zinc/10/19/46/401101946.db2.gz GVFJOUPLDPHVNB-NBEHIINDSA-N 1 0 317.433 3.414 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000255353985 401103692 /nfs/dbraw/zinc/10/36/92/401103692.db2.gz PDHZADZMBHZKCB-GMNBZTITSA-N 1 0 315.417 3.026 20 5 DGBDRO COC(=O)C1C[C@@H](C)[NH+](Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000599712341 401124342 /nfs/dbraw/zinc/12/43/42/401124342.db2.gz XCINHDHZMJEGIQ-VXGBXAGGSA-N 1 0 320.389 3.065 20 5 DGBDRO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000059370445 401091338 /nfs/dbraw/zinc/09/13/38/401091338.db2.gz ADQFCDKHZLWCTP-UHFFFAOYSA-N 1 0 311.385 3.225 20 5 DGBDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594516110 401092874 /nfs/dbraw/zinc/09/28/74/401092874.db2.gz BDAADSFQCDIQDO-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594521250 401099315 /nfs/dbraw/zinc/09/93/15/401099315.db2.gz STYGJTLTHPLQQL-HZPDHXFCSA-N 1 0 303.406 3.010 20 5 DGBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cc(C)ccc1C ZINC000599639788 401100332 /nfs/dbraw/zinc/10/03/32/401100332.db2.gz BUDDMZKCNYOXHR-HNNXBMFYSA-N 1 0 302.378 3.149 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000281424385 401153518 /nfs/dbraw/zinc/15/35/18/401153518.db2.gz ZCIARNOGCKWANP-LZLYRXPVSA-N 1 0 318.417 3.419 20 5 DGBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccc(F)cc1 ZINC000358261229 286014136 /nfs/dbraw/zinc/01/41/36/286014136.db2.gz DMLZXVCQQWVIJG-GFCCVEGCSA-N 1 0 306.341 3.014 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000358308141 286027160 /nfs/dbraw/zinc/02/71/60/286027160.db2.gz SIAWTHQSTDFAJO-KCXAZCMYSA-N 1 0 304.390 3.073 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2c(C3CC3)cnn2C)cc1[N+](=O)[O-] ZINC000594937206 401199242 /nfs/dbraw/zinc/19/92/42/401199242.db2.gz IWXZGBWADUMJAH-LBPRGKRZSA-N 1 0 314.389 3.365 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOc1ccccc1 ZINC000595004284 401225621 /nfs/dbraw/zinc/22/56/21/401225621.db2.gz OLBVLJXWPQRWSK-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c(F)c1 ZINC000594976387 401215572 /nfs/dbraw/zinc/21/55/72/401215572.db2.gz CIYLCUYZHSLGFM-AWEZNQCLSA-N 1 0 321.396 3.231 20 5 DGBDRO CC(C)[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000615966461 401187692 /nfs/dbraw/zinc/18/76/92/401187692.db2.gz ANFWEFZLCMEXCS-BBRMVZONSA-N 1 0 316.405 3.419 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1nc(C)cs1 ZINC000595008146 401228358 /nfs/dbraw/zinc/22/83/58/401228358.db2.gz RFUWAUGVXCXEGJ-LLVKDONJSA-N 1 0 321.402 3.262 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000595012700 401231001 /nfs/dbraw/zinc/23/10/01/401231001.db2.gz NRBSJZSRBBNMFR-STQMWFEESA-N 1 0 315.373 3.453 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000595013980 401232872 /nfs/dbraw/zinc/23/28/72/401232872.db2.gz TVZVHTHWHCRSPY-BLLLJJGKSA-N 1 0 322.405 3.459 20 5 DGBDRO CCC1(O)CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595015319 401233034 /nfs/dbraw/zinc/23/30/34/401233034.db2.gz SOGBZCVEQBIUGO-SFYCDEOASA-N 1 0 322.405 3.338 20 5 DGBDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595017550 401233794 /nfs/dbraw/zinc/23/37/94/401233794.db2.gz JHVIDSCFFKGRBZ-NHYWBVRUSA-N 1 0 310.394 3.051 20 5 DGBDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000359796747 286381919 /nfs/dbraw/zinc/38/19/19/286381919.db2.gz JPWKKBJQMDEOLL-UHFFFAOYSA-N 1 0 316.405 3.051 20 5 DGBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000359951823 286395992 /nfs/dbraw/zinc/39/59/92/286395992.db2.gz FGWFULCNTXUSAS-TZMCWYRMSA-N 1 0 307.369 3.105 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000360010510 286407445 /nfs/dbraw/zinc/40/74/45/286407445.db2.gz OAVYPMNKHFZACA-OAHLLOKOSA-N 1 0 323.824 3.308 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000362728036 286855546 /nfs/dbraw/zinc/85/55/46/286855546.db2.gz KHPJZBDOMMCJII-UHFFFAOYSA-N 1 0 321.421 3.094 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000186356612 165039455 /nfs/dbraw/zinc/03/94/55/165039455.db2.gz NKKQIUCJLCJFLV-WBVHZDCISA-N 1 0 322.405 3.287 20 5 DGBDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000190794120 165217584 /nfs/dbraw/zinc/21/75/84/165217584.db2.gz BOMFUSKSSLGVDF-CYBMUJFWSA-N 1 0 314.389 3.297 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000262370941 165800617 /nfs/dbraw/zinc/80/06/17/165800617.db2.gz XNVWXAILMVHSCI-ZDUSSCGKSA-N 1 0 317.776 3.138 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C ZINC000246645805 432152420 /nfs/dbraw/zinc/15/24/20/432152420.db2.gz IIURCGCEVILPDR-NEPJUHHUSA-N 1 0 306.362 3.082 20 5 DGBDRO C[C@@H]1CC[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000190609567 432174947 /nfs/dbraw/zinc/17/49/47/432174947.db2.gz WOPBIAYCZIXUIY-DYVFJYSZSA-N 1 0 320.389 3.006 20 5 DGBDRO C[C@@H](c1ccco1)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269660665 432192595 /nfs/dbraw/zinc/19/25/95/432192595.db2.gz QBMMGWZGWDRJKE-LRDDRELGSA-N 1 0 316.357 3.447 20 5 DGBDRO C[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675876 432195423 /nfs/dbraw/zinc/19/54/23/432195423.db2.gz CESXRBHDMMRXDI-INIZCTEOSA-N 1 0 320.776 3.414 20 5 DGBDRO CC[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000247416635 432228496 /nfs/dbraw/zinc/22/84/96/432228496.db2.gz DDPWYODPGUHJKP-WCQYABFASA-N 1 0 307.394 3.208 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000131708820 196192902 /nfs/dbraw/zinc/19/29/02/196192902.db2.gz UTRRBHWSGQUHHD-LBPRGKRZSA-N 1 0 309.797 3.170 20 5 DGBDRO CC1CC[NH+](C2CCC(Nc3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000132166541 196232156 /nfs/dbraw/zinc/23/21/56/196232156.db2.gz SNGBKNLRDICUBL-UHFFFAOYSA-N 1 0 318.421 3.445 20 5 DGBDRO CCc1ccccc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000133097844 196311882 /nfs/dbraw/zinc/31/18/82/196311882.db2.gz SROLVGOUHCCPQO-UHFFFAOYSA-N 1 0 300.358 3.456 20 5 DGBDRO CCCn1nc(C)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1C ZINC000133941947 196347488 /nfs/dbraw/zinc/34/74/88/196347488.db2.gz KFLFBMGFPWDALU-UHFFFAOYSA-N 1 0 316.405 3.150 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000295401291 224790367 /nfs/dbraw/zinc/79/03/67/224790367.db2.gz MEQOUSZKHACYBE-CQSZACIVSA-N 1 0 324.808 3.482 20 5 DGBDRO CO[C@](C)(C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000291128946 222157879 /nfs/dbraw/zinc/15/78/79/222157879.db2.gz GRSBWHFLFDUFNT-CXAGYDPISA-N 1 0 306.406 3.321 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178640263 228344169 /nfs/dbraw/zinc/34/41/69/228344169.db2.gz QZZJSWICIQXKHA-ZDUSSCGKSA-N 1 0 316.357 3.333 20 5 DGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181377866 228361575 /nfs/dbraw/zinc/36/15/75/228361575.db2.gz FVFLAQXLFSIFSF-ZDUSSCGKSA-N 1 0 313.357 3.274 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000298156756 228386776 /nfs/dbraw/zinc/38/67/76/228386776.db2.gz DUEWVPGAHAWICX-NTZNESFSSA-N 1 0 305.378 3.103 20 5 DGBDRO COCc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000344683887 229142055 /nfs/dbraw/zinc/14/20/55/229142055.db2.gz OJQGFPFBZWOTAH-UHFFFAOYSA-N 1 0 318.373 3.447 20 5 DGBDRO Cc1ccc(CNC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000299600277 229248391 /nfs/dbraw/zinc/24/83/91/229248391.db2.gz HGSFJAWARNTXQB-UHFFFAOYSA-N 1 0 303.406 3.010 20 5 DGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302042842 230057034 /nfs/dbraw/zinc/05/70/34/230057034.db2.gz IYSFOTBKYONBNM-STQMWFEESA-N 1 0 304.394 3.055 20 5 DGBDRO Cc1cc(N2CCC[C@@H]2C[C@@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302095211 230092543 /nfs/dbraw/zinc/09/25/43/230092543.db2.gz ROTJFSCFUCNDBP-CHWSQXEVSA-N 1 0 315.373 3.191 20 5 DGBDRO Cc1cc(N2CCC[C@H]2C[C@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302095214 230093078 /nfs/dbraw/zinc/09/30/78/230093078.db2.gz ROTJFSCFUCNDBP-STQMWFEESA-N 1 0 315.373 3.191 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413165982 230143372 /nfs/dbraw/zinc/14/33/72/230143372.db2.gz FJJZSZJMUBUPQC-QWHCGFSZSA-N 1 0 314.389 3.428 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCCCC[N@H+](C)C1CC1 ZINC000413343648 230197280 /nfs/dbraw/zinc/19/72/80/230197280.db2.gz BMAYWSYYZZMCLP-UHFFFAOYSA-N 1 0 307.394 3.028 20 5 DGBDRO Cc1cccc(NC2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000302491932 230267805 /nfs/dbraw/zinc/26/78/05/230267805.db2.gz KJNDFJDQDSERFU-UHFFFAOYSA-N 1 0 321.421 3.205 20 5 DGBDRO C[C@H]1[NH2+]CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000346687097 264079586 /nfs/dbraw/zinc/07/95/86/264079586.db2.gz VKDDLXAGHISGJF-OLZOCXBDSA-N 1 0 315.373 3.037 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000346688342 264079591 /nfs/dbraw/zinc/07/95/91/264079591.db2.gz MYQSRNJRMAZLLV-GJZGRUSLSA-N 1 0 322.405 3.287 20 5 DGBDRO Cc1nc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000346806210 264101322 /nfs/dbraw/zinc/10/13/22/264101322.db2.gz SGSPFNZHDIHYPG-ALCCZGGFSA-N 1 0 301.346 3.045 20 5 DGBDRO COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000346809326 264102276 /nfs/dbraw/zinc/10/22/76/264102276.db2.gz GCRMSMIDSKJGSV-ZFWWWQNUSA-N 1 0 318.373 3.486 20 5 DGBDRO C[NH+](C)CCN(Cc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000347048216 264147150 /nfs/dbraw/zinc/14/71/50/264147150.db2.gz DCOWSAFHNYTVPE-UHFFFAOYSA-N 1 0 305.403 3.225 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347070198 264152034 /nfs/dbraw/zinc/15/20/34/264152034.db2.gz AAVZKIOMDDGLAR-ZFWWWQNUSA-N 1 0 313.357 3.204 20 5 DGBDRO C[NH+](C)CCN(Cc1cccs1)c1ccc(F)cc1[N+](=O)[O-] ZINC000347118316 264159593 /nfs/dbraw/zinc/15/95/93/264159593.db2.gz YWVPZNLFJQQXFK-UHFFFAOYSA-N 1 0 323.393 3.364 20 5 DGBDRO CC(C)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000347173590 264169806 /nfs/dbraw/zinc/16/98/06/264169806.db2.gz PGTVYIRIPUIVRC-XYPWUTKMSA-N 1 0 317.433 3.433 20 5 DGBDRO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000347177422 264170480 /nfs/dbraw/zinc/17/04/80/264170480.db2.gz XEQTVYXVYAMOOR-LLVKDONJSA-N 1 0 312.797 3.374 20 5 DGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000347327627 264197280 /nfs/dbraw/zinc/19/72/80/264197280.db2.gz XLNHXCFMSDOGHT-IUODEOHRSA-N 1 0 323.824 3.307 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000348148299 264352072 /nfs/dbraw/zinc/35/20/72/264352072.db2.gz YUTUVGDNEXYNGL-KGLIPLIRSA-N 1 0 322.405 3.287 20 5 DGBDRO C[C@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CCC1 ZINC000348286280 264382518 /nfs/dbraw/zinc/38/25/18/264382518.db2.gz YHEKGBQHKHLSNJ-LLVKDONJSA-N 1 0 312.797 3.231 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@H]1O ZINC000348559854 264428297 /nfs/dbraw/zinc/42/82/97/264428297.db2.gz UFWLPPHTOLGEFI-JKSUJKDBSA-N 1 0 316.357 3.200 20 5 DGBDRO [NH3+]CCN(Cc1cc2ccccc2o1)c1ccccc1[N+](=O)[O-] ZINC000348898060 264467310 /nfs/dbraw/zinc/46/73/10/264467310.db2.gz WKPVTAUPBYWGEQ-UHFFFAOYSA-N 1 0 311.341 3.306 20 5 DGBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000352316677 265001129 /nfs/dbraw/zinc/00/11/29/265001129.db2.gz WSXCEFUMQRJWMC-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352366252 265017730 /nfs/dbraw/zinc/01/77/30/265017730.db2.gz CNXVUCSOBBZTIV-XHDPSFHLSA-N 1 0 312.373 3.038 20 5 DGBDRO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000352791832 265169940 /nfs/dbraw/zinc/16/99/40/265169940.db2.gz JGZOKBMKTSGASA-HOCLYGCPSA-N 1 0 314.389 3.265 20 5 DGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352796635 265171451 /nfs/dbraw/zinc/17/14/51/265171451.db2.gz GZHCJGMSHCKICG-STQMWFEESA-N 1 0 323.824 3.307 20 5 DGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352796634 265171742 /nfs/dbraw/zinc/17/17/42/265171742.db2.gz GZHCJGMSHCKICG-QWHCGFSZSA-N 1 0 323.824 3.307 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCOC(F)(F)F)cc1[N+](=O)[O-] ZINC000353344678 265395662 /nfs/dbraw/zinc/39/56/62/265395662.db2.gz VQKFCGIQPMGWJE-SECBINFHSA-N 1 0 322.283 3.181 20 5 DGBDRO CC[C@H]([NH2+]Cc1cnn2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000353864755 265577311 /nfs/dbraw/zinc/57/73/11/265577311.db2.gz JIDRJIYPNDNSMS-INIZCTEOSA-N 1 0 310.357 3.483 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](CC)C(C)C ZINC000353917918 265596436 /nfs/dbraw/zinc/59/64/36/265596436.db2.gz WJCSABYKMBXTHH-UHFFFAOYSA-N 1 0 322.409 3.009 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1(O)CCC1 ZINC000355364908 266052035 /nfs/dbraw/zinc/05/20/35/266052035.db2.gz FACIGJOPMUMOHI-UHFFFAOYSA-N 1 0 316.357 3.202 20 5 DGBDRO COc1cc(CN2CC(C)(C)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000356297297 266345336 /nfs/dbraw/zinc/34/53/36/266345336.db2.gz OJFWKDQDRYFGFH-INIZCTEOSA-N 1 0 320.389 3.232 20 5 DGBDRO CC1(C)CCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191308821 432248172 /nfs/dbraw/zinc/24/81/72/432248172.db2.gz CLTGUEDBXWGSBL-CQSZACIVSA-N 1 0 305.378 3.092 20 5 DGBDRO CC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000359898085 271012584 /nfs/dbraw/zinc/01/25/84/271012584.db2.gz LTWSNACDRLVZAQ-UHFFFAOYSA-N 1 0 305.300 3.286 20 5 DGBDRO CCOc1cccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000368601399 271177901 /nfs/dbraw/zinc/17/79/01/271177901.db2.gz FTMZTADAASZALC-STQMWFEESA-N 1 0 305.378 3.032 20 5 DGBDRO C[C@@H]1CCC[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000369681473 271309245 /nfs/dbraw/zinc/30/92/45/271309245.db2.gz MHBVSAJEUGYBDX-ZIAGYGMSSA-N 1 0 306.410 3.255 20 5 DGBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000270504643 432252930 /nfs/dbraw/zinc/25/29/30/432252930.db2.gz ILNIQOKNLCJONW-UHFFFAOYSA-N 1 0 312.797 3.231 20 5 DGBDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183051533 432253212 /nfs/dbraw/zinc/25/32/12/432253212.db2.gz XDLWQRQCCSFYNH-NXEZZACHSA-N 1 0 313.785 3.211 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000078542686 273805602 /nfs/dbraw/zinc/80/56/02/273805602.db2.gz NVHPNHLNXAPSQC-ZDUSSCGKSA-N 1 0 317.311 3.366 20 5 DGBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451632576 274063278 /nfs/dbraw/zinc/06/32/78/274063278.db2.gz MAGAVGFOLDBKAF-CHWSQXEVSA-N 1 0 318.295 3.271 20 5 DGBDRO CO[C@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000267773777 274080465 /nfs/dbraw/zinc/08/04/65/274080465.db2.gz GTQPYLNZTQGFPN-HNNXBMFYSA-N 1 0 309.365 3.167 20 5 DGBDRO COc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000192646506 274094940 /nfs/dbraw/zinc/09/49/40/274094940.db2.gz OBWHFMUBQSHWTP-INIZCTEOSA-N 1 0 313.357 3.166 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000430204623 274099791 /nfs/dbraw/zinc/09/97/91/274099791.db2.gz RWKHAHVDPAJZMP-HOCLYGCPSA-N 1 0 322.430 3.463 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000237363729 274111302 /nfs/dbraw/zinc/11/13/02/274111302.db2.gz BZWQJXWCKRQOAA-AWEZNQCLSA-N 1 0 314.341 3.217 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000279222982 274225866 /nfs/dbraw/zinc/22/58/66/274225866.db2.gz ZEDUSVNXJRKHAK-WQGACYEGSA-N 1 0 306.406 3.314 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000449123208 274231755 /nfs/dbraw/zinc/23/17/55/274231755.db2.gz BNZFODZLUVYBPW-HOCLYGCPSA-N 1 0 317.433 3.132 20 5 DGBDRO C[C@@H](Cn1ccnc1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279226052 274233218 /nfs/dbraw/zinc/23/32/18/274233218.db2.gz ZMBRJTSVPQNFMS-LRDDRELGSA-N 1 0 314.389 3.192 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc(=O)oc2ccc3ccccc3c12)[C@H]1CCOC1 ZINC000162670151 274251675 /nfs/dbraw/zinc/25/16/75/274251675.db2.gz PZWJIUBUEXWJCF-HIFRSBDPSA-N 1 0 323.392 3.461 20 5 DGBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000089092253 274949361 /nfs/dbraw/zinc/94/93/61/274949361.db2.gz MQKCSVJZMUWFIF-WPRPVWTQSA-N 1 0 303.284 3.153 20 5 DGBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc2ncccc21 ZINC000264818029 275032732 /nfs/dbraw/zinc/03/27/32/275032732.db2.gz FSKWDAOUHOUXAX-HOCLYGCPSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(O)CCCCC1)CCC2 ZINC000192793658 275038047 /nfs/dbraw/zinc/03/80/47/275038047.db2.gz CMTLZKOJUAFSAD-MRXNPFEDSA-N 1 0 304.390 3.257 20 5 DGBDRO CC(C)C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000301782712 275596707 /nfs/dbraw/zinc/59/67/07/275596707.db2.gz JZEUFHRKLHKSJP-LLVKDONJSA-N 1 0 301.337 3.261 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCC2(CO)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000453339523 275867335 /nfs/dbraw/zinc/86/73/35/275867335.db2.gz KPMNPWCSBOJFBV-HNNXBMFYSA-N 1 0 304.390 3.069 20 5 DGBDRO CCN1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192606037 276187668 /nfs/dbraw/zinc/18/76/68/276187668.db2.gz RROXYADSZKFNDO-DOTOQJQBSA-N 1 0 303.406 3.046 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000491975641 276241400 /nfs/dbraw/zinc/24/14/00/276241400.db2.gz DTNCNZQZELBEPJ-VXGBXAGGSA-N 1 0 311.813 3.163 20 5 DGBDRO Cc1nc(NCC2([NH+](C)C)CCCCCC2)ccc1[N+](=O)[O-] ZINC000471620126 429713204 /nfs/dbraw/zinc/71/32/04/429713204.db2.gz RGUILJUNKOWTBI-UHFFFAOYSA-N 1 0 306.410 3.365 20 5 DGBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000412058342 277144038 /nfs/dbraw/zinc/14/40/38/277144038.db2.gz AJYQUZGXXPGHJD-CXAGYDPISA-N 1 0 320.389 3.239 20 5 DGBDRO C[NH2+]C[C@@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420116458 277275931 /nfs/dbraw/zinc/27/59/31/277275931.db2.gz GGKBCNNPWXBKHV-VIFPVBQESA-N 1 0 318.204 3.337 20 5 DGBDRO COC1([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000421826952 277471994 /nfs/dbraw/zinc/47/19/94/277471994.db2.gz VPFPZLHWXZAWKS-CQSZACIVSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293270848 278372117 /nfs/dbraw/zinc/37/21/17/278372117.db2.gz CILORZMACPLFJM-QMTHXVAHSA-N 1 0 301.346 3.498 20 5 DGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000343797424 278542221 /nfs/dbraw/zinc/54/22/21/278542221.db2.gz UQLGJIOZXZJBNN-WCQYABFASA-N 1 0 309.797 3.311 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182827362 279040348 /nfs/dbraw/zinc/04/03/48/279040348.db2.gz KYSJMJIAVXXARN-LSDHHAIUSA-N 1 0 305.422 3.238 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C)CC2)cccc1[N+](=O)[O-] ZINC000068838165 431143499 /nfs/dbraw/zinc/14/34/99/431143499.db2.gz RLFQRPUOUGNJJE-CYBMUJFWSA-N 1 0 319.405 3.354 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000449308158 279382458 /nfs/dbraw/zinc/38/24/58/279382458.db2.gz VCOGOUTVFHCAON-MPKXVKKWSA-N 1 0 314.332 3.276 20 5 DGBDRO CC[N@H+](CCNc1ccc2ncccc2c1[N+](=O)[O-])C(C)C ZINC000112079438 431245964 /nfs/dbraw/zinc/24/59/64/431245964.db2.gz MLRGLJUEMTYETG-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)COC1 ZINC000112711691 431297406 /nfs/dbraw/zinc/29/74/06/431297406.db2.gz VBHLQQLOWGDGLE-UHFFFAOYSA-N 1 0 318.398 3.449 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007379455 431344498 /nfs/dbraw/zinc/34/44/98/431344498.db2.gz JJWAMTNEWQTVCP-STQMWFEESA-N 1 0 313.357 3.273 20 5 DGBDRO C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447588920 279760852 /nfs/dbraw/zinc/76/08/52/279760852.db2.gz VWYZLMRHPUALRC-TUVASFSCSA-N 1 0 306.410 3.443 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000074230480 431406991 /nfs/dbraw/zinc/40/69/91/431406991.db2.gz SGOPUHIEBWRRCK-MRXNPFEDSA-N 1 0 320.776 3.380 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c2c(c1)COCO2 ZINC000075769326 431494900 /nfs/dbraw/zinc/49/49/00/431494900.db2.gz HEJJDICQZTZMRQ-LRDDRELGSA-N 1 0 318.373 3.226 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1C(C)C ZINC000117349036 431560305 /nfs/dbraw/zinc/56/03/05/431560305.db2.gz ZSKCTUHQXDHLTR-AWEZNQCLSA-N 1 0 319.405 3.352 20 5 DGBDRO CCC[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119115596 431649675 /nfs/dbraw/zinc/64/96/75/431649675.db2.gz AEGXAXOQNNTBSR-IAGOWNOFSA-N 1 0 322.405 3.221 20 5 DGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026468005 431674251 /nfs/dbraw/zinc/67/42/51/431674251.db2.gz LGXYSLZWAKHOQK-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000121205837 431754124 /nfs/dbraw/zinc/75/41/24/431754124.db2.gz XVSWGYHSMJEJSH-AWEZNQCLSA-N 1 0 300.362 3.006 20 5 DGBDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121453264 431789380 /nfs/dbraw/zinc/78/93/80/431789380.db2.gz HIUWSJUGGMIIOQ-LBPRGKRZSA-N 1 0 302.378 3.218 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000122134493 431813675 /nfs/dbraw/zinc/81/36/75/431813675.db2.gz JLIDDUPYONRFEX-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO CCC[C@@H]([NH2+]CCC(=O)N[C@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000121447859 431787286 /nfs/dbraw/zinc/78/72/86/431787286.db2.gz RRGCPFAUXNANHJ-CZUORRHYSA-N 1 0 321.421 3.330 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2c[nH]c3ccccc23)cs1 ZINC000037562558 431847798 /nfs/dbraw/zinc/84/77/98/431847798.db2.gz FQXZZFJGWXTGRE-UHFFFAOYSA-N 1 0 301.371 3.470 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000123619842 431869746 /nfs/dbraw/zinc/86/97/46/431869746.db2.gz YBFULCXZKNGJDH-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CSCCS2)c1 ZINC000125172844 431916617 /nfs/dbraw/zinc/91/66/17/431916617.db2.gz CZIBDHFFDXIIKP-LLVKDONJSA-N 1 0 318.851 3.186 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000125381677 431923157 /nfs/dbraw/zinc/92/31/57/431923157.db2.gz KVGZLWIAFXHABK-CHWSQXEVSA-N 1 0 320.389 3.472 20 5 DGBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000090538315 431893051 /nfs/dbraw/zinc/89/30/51/431893051.db2.gz BTZCCGUHINHOMD-CQSZACIVSA-N 1 0 308.769 3.186 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](COC)C2CC2)cc1[N+](=O)[O-] ZINC000090717097 431894727 /nfs/dbraw/zinc/89/47/27/431894727.db2.gz KSSSXBMUZBANRQ-SMDDNHRTSA-N 1 0 308.378 3.069 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000127393954 431970769 /nfs/dbraw/zinc/97/07/69/431970769.db2.gz DCADBROGBQAGGN-XUSGNXJCSA-N 1 0 312.435 3.101 20 5 DGBDRO C[C@@H](c1cccnc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000127732621 431979630 /nfs/dbraw/zinc/97/96/30/431979630.db2.gz BPCBTIJTFHNGHS-ZDUSSCGKSA-N 1 0 301.346 3.062 20 5 DGBDRO CC(C)[NH+](CCNCc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000049963083 431945235 /nfs/dbraw/zinc/94/52/35/431945235.db2.gz NHEPGADTGZLCMU-UHFFFAOYSA-N 1 0 313.829 3.457 20 5 DGBDRO CCC[C@@H]([NH2+][C@H]1CCN(C(=O)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000126560039 431953115 /nfs/dbraw/zinc/95/31/15/431953115.db2.gz APKLVFDQMQPYLM-GOEBONIOSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1CC1 ZINC000053184502 431961720 /nfs/dbraw/zinc/96/17/20/431961720.db2.gz XPRISYKPFJEWTO-JTQLQIEISA-N 1 0 302.334 3.048 20 5 DGBDRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286502 281004097 /nfs/dbraw/zinc/00/40/97/281004097.db2.gz QJZPFBJZPYNYED-GXTWGEPZSA-N 1 0 318.377 3.166 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000292001285 281021997 /nfs/dbraw/zinc/02/19/97/281021997.db2.gz XKEXKNIZADJLLC-DZGCQCFKSA-N 1 0 300.362 3.108 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1nccs1)C1CC1 ZINC000127846956 431982571 /nfs/dbraw/zinc/98/25/71/431982571.db2.gz FHUGBEGCNCYHSW-CQSZACIVSA-N 1 0 317.414 3.205 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(CCC[NH+](C)C)CC1 ZINC000162717663 281258591 /nfs/dbraw/zinc/25/85/91/281258591.db2.gz YWBCDHVUWJGOLD-UHFFFAOYSA-N 1 0 305.422 3.461 20 5 DGBDRO C[C@H]([NH2+]CCOc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173338678 432272524 /nfs/dbraw/zinc/27/25/24/432272524.db2.gz CXODAAVXFZQDBM-LBPRGKRZSA-N 1 0 304.321 3.464 20 5 DGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191560870 432278326 /nfs/dbraw/zinc/27/83/26/432278326.db2.gz XHCMJOMMJLYQQT-PBHICJAKSA-N 1 0 314.385 3.157 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C/C=C/c3ccccc3)C2)nc1 ZINC000173467248 432280715 /nfs/dbraw/zinc/28/07/15/432280715.db2.gz PQJWJDSDHZHVPB-RRGWEWPQSA-N 1 0 324.384 3.189 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248343668 432280900 /nfs/dbraw/zinc/28/09/00/432280900.db2.gz KPFUVMQPNUPCGJ-GRYCIOLGSA-N 1 0 316.361 3.436 20 5 DGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000191599155 432281144 /nfs/dbraw/zinc/28/11/44/432281144.db2.gz IIYNJVJXZSXCQM-YOEHRIQHSA-N 1 0 314.385 3.157 20 5 DGBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000191655086 432287827 /nfs/dbraw/zinc/28/78/27/432287827.db2.gz JFPBEJSYGIEPPP-KRWDZBQOSA-N 1 0 306.406 3.010 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000248543133 432298532 /nfs/dbraw/zinc/29/85/32/432298532.db2.gz CUVIRFNGNCBVEG-SYQHCUMBSA-N 1 0 319.405 3.336 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000248552747 432299943 /nfs/dbraw/zinc/29/99/43/432299943.db2.gz JFGQNEMXSABZTE-YWPYICTPSA-N 1 0 319.405 3.256 20 5 DGBDRO CC[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)N1CCCC1 ZINC000151687188 432266892 /nfs/dbraw/zinc/26/68/92/432266892.db2.gz NUSRVCAQXLNKQK-CABCVRRESA-N 1 0 305.422 3.428 20 5 DGBDRO CCC[C@H]([NH2+]CC(C)(C)C(=O)NCC)c1cccc([N+](=O)[O-])c1 ZINC000183204613 432268662 /nfs/dbraw/zinc/26/86/62/432268662.db2.gz PPIAFBMJBWKCBQ-HNNXBMFYSA-N 1 0 321.421 3.188 20 5 DGBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000183764852 432322993 /nfs/dbraw/zinc/32/29/93/432322993.db2.gz NDBWBQFKYPHCBT-MRXNPFEDSA-N 1 0 320.776 3.246 20 5 DGBDRO C[C@@H](C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183934333 432336856 /nfs/dbraw/zinc/33/68/56/432336856.db2.gz PYTUVVMNDDODQJ-LBPRGKRZSA-N 1 0 321.402 3.166 20 5 DGBDRO C[C@@H](C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183995633 432344646 /nfs/dbraw/zinc/34/46/46/432344646.db2.gz KSJXSVYGGRILSA-LBPRGKRZSA-N 1 0 305.403 3.329 20 5 DGBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000271184214 432346251 /nfs/dbraw/zinc/34/62/51/432346251.db2.gz MFDYEDKIGNULGE-AWEZNQCLSA-N 1 0 302.330 3.076 20 5 DGBDRO COC[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000271213367 432353942 /nfs/dbraw/zinc/35/39/42/432353942.db2.gz YYHZDGPLCZWBHF-CYBMUJFWSA-N 1 0 316.357 3.323 20 5 DGBDRO Cc1cc(C)n(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000270949780 432307514 /nfs/dbraw/zinc/30/75/14/432307514.db2.gz XASBQAFVHMEETN-UHFFFAOYSA-N 1 0 314.389 3.073 20 5 DGBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174873994 432375296 /nfs/dbraw/zinc/37/52/96/432375296.db2.gz MQZCDKUIMXDRFT-KRWDZBQOSA-N 1 0 314.389 3.327 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1ccccc1)CCC2 ZINC000192597759 432392642 /nfs/dbraw/zinc/39/26/42/432392642.db2.gz MKZFDZARXGIAHX-ZWKOTPCHSA-N 1 0 312.369 3.295 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000271469497 432402570 /nfs/dbraw/zinc/40/25/70/432402570.db2.gz FYCKZVSMUHWYDQ-WCQYABFASA-N 1 0 316.361 3.408 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000153759449 432439485 /nfs/dbraw/zinc/43/94/85/432439485.db2.gz CDPBIGUSVNIPML-TYNCELHUSA-N 1 0 310.394 3.051 20 5 DGBDRO CC[N@H+](CC(C)C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000153770403 432440607 /nfs/dbraw/zinc/44/06/07/432440607.db2.gz GEHWLLTXWUCHGD-ZDUSSCGKSA-N 1 0 307.394 3.208 20 5 DGBDRO CC(C)(C)C[C@@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193035499 432441914 /nfs/dbraw/zinc/44/19/14/432441914.db2.gz KYZWHRKGADEFFJ-XJKSGUPXSA-N 1 0 306.406 3.359 20 5 DGBDRO CC(C)(C)C[C@@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193035534 432442514 /nfs/dbraw/zinc/44/25/14/432442514.db2.gz KYZWHRKGADEFFJ-BBRMVZONSA-N 1 0 306.406 3.359 20 5 DGBDRO [NH3+]C1(c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)CCCC1 ZINC000261793709 432450736 /nfs/dbraw/zinc/45/07/36/432450736.db2.gz OQQLBGUKWHNSNI-UHFFFAOYSA-N 1 0 314.301 3.119 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000261850736 432457066 /nfs/dbraw/zinc/45/70/66/432457066.db2.gz DLCUSBAYBMNHDR-SNVBAGLBSA-N 1 0 317.311 3.415 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000192800698 432416393 /nfs/dbraw/zinc/41/63/93/432416393.db2.gz SUKXBTYDZFUUOJ-WFASDCNBSA-N 1 0 319.405 3.400 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000192800684 432417065 /nfs/dbraw/zinc/41/70/65/432417065.db2.gz SUKXBTYDZFUUOJ-SWLSCSKDSA-N 1 0 319.405 3.400 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000192851718 432422455 /nfs/dbraw/zinc/42/24/55/432422455.db2.gz MGYSHQSWNANGBP-NWDGAFQWSA-N 1 0 302.378 3.357 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)C(C)(C)C ZINC000185189026 432474970 /nfs/dbraw/zinc/47/49/70/432474970.db2.gz HCPKYSIICJPKFP-BBRMVZONSA-N 1 0 308.422 3.303 20 5 DGBDRO CC1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000262355342 432482428 /nfs/dbraw/zinc/48/24/28/432482428.db2.gz VSJJHSBDDKCNOM-UHFFFAOYSA-N 1 0 317.311 3.415 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000262339974 432483682 /nfs/dbraw/zinc/48/36/82/432483682.db2.gz UDSRPFMDRJHJHH-UHFFFAOYSA-N 1 0 323.824 3.212 20 5 DGBDRO CC(C)([NH2+]Cc1cnn2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000175986538 432484414 /nfs/dbraw/zinc/48/44/14/432484414.db2.gz GGURCLFRJIQLIO-UHFFFAOYSA-N 1 0 310.357 3.267 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000261989669 432468501 /nfs/dbraw/zinc/46/85/01/432468501.db2.gz STWZQNCOGNZSFZ-SNVBAGLBSA-N 1 0 317.311 3.415 20 5 DGBDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000194414799 432549175 /nfs/dbraw/zinc/54/91/75/432549175.db2.gz IHXAAZULOMGTBX-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000194414772 432549528 /nfs/dbraw/zinc/54/95/28/432549528.db2.gz ZJYGCUBTAGVJIC-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCOC(F)F)cc1[N+](=O)[O-] ZINC000194031117 432518994 /nfs/dbraw/zinc/51/89/94/432518994.db2.gz YVWHQFDXEQNKCX-SNVBAGLBSA-N 1 0 318.320 3.273 20 5 DGBDRO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1nccn1C ZINC000272584043 432528317 /nfs/dbraw/zinc/52/83/17/432528317.db2.gz GZYMCMKYOLWXGM-CYBMUJFWSA-N 1 0 322.796 3.265 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)c1ccco1 ZINC000186560084 432608046 /nfs/dbraw/zinc/60/80/46/432608046.db2.gz XXYQCGCBXHABGR-UKRRQHHQSA-N 1 0 318.373 3.222 20 5 DGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c2cnccc12)C1CC1 ZINC000263687498 432566549 /nfs/dbraw/zinc/56/65/49/432566549.db2.gz GKAILIDZQMFWAL-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000194871598 432582045 /nfs/dbraw/zinc/58/20/45/432582045.db2.gz XAHALWJIULMWOH-QGZVFWFLSA-N 1 0 320.389 3.006 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCC(C)CC1 ZINC000156003266 432586066 /nfs/dbraw/zinc/58/60/66/432586066.db2.gz OMMJCEQLRBEDJO-HNNXBMFYSA-N 1 0 305.422 3.286 20 5 DGBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000194933584 432587435 /nfs/dbraw/zinc/58/74/35/432587435.db2.gz NZWQDYXFUMIXGT-KRWDZBQOSA-N 1 0 322.405 3.385 20 5 DGBDRO COc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000158008682 432635220 /nfs/dbraw/zinc/63/52/20/432635220.db2.gz DEWUXUWVDRFZNP-TXEJJXNPSA-N 1 0 308.378 3.090 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000177579725 432639936 /nfs/dbraw/zinc/63/99/36/432639936.db2.gz XPIOHDUQNRMSCM-BETUJISGSA-N 1 0 318.373 3.083 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000265459052 432700946 /nfs/dbraw/zinc/70/09/46/432700946.db2.gz FDGJCTTVPLCHDM-LBPRGKRZSA-N 1 0 300.362 3.259 20 5 DGBDRO CC(C)(O)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000274771241 432706499 /nfs/dbraw/zinc/70/64/99/432706499.db2.gz HOGCGNGNNAXHKU-ZFWWWQNUSA-N 1 0 306.406 3.057 20 5 DGBDRO CC(C)(O)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000274771239 432707556 /nfs/dbraw/zinc/70/75/56/432707556.db2.gz HOGCGNGNNAXHKU-UKRRQHHQSA-N 1 0 306.406 3.057 20 5 DGBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230142849 432724452 /nfs/dbraw/zinc/72/44/52/432724452.db2.gz AJMKHFUEGSXFHN-AWEZNQCLSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000177960362 432679266 /nfs/dbraw/zinc/67/92/66/432679266.db2.gz CLYOTPGTCBAUAV-RYUDHWBXSA-N 1 0 302.378 3.357 20 5 DGBDRO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680421 432766703 /nfs/dbraw/zinc/76/67/03/432766703.db2.gz RUMODUSDOGDPRX-CHWSQXEVSA-N 1 0 321.421 3.247 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCO)C2CCC2)o1 ZINC000276039125 432768859 /nfs/dbraw/zinc/76/88/59/432768859.db2.gz QSMNEMJMBDVUOV-UHFFFAOYSA-N 1 0 316.357 3.202 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000236975188 432772820 /nfs/dbraw/zinc/77/28/20/432772820.db2.gz FISPXHAAGITBPP-CVEARBPZSA-N 1 0 304.390 3.422 20 5 DGBDRO Cc1nc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000161313535 432772871 /nfs/dbraw/zinc/77/28/71/432772871.db2.gz FMSFOIQFHSPXIS-CQSZACIVSA-N 1 0 306.410 3.078 20 5 DGBDRO C[N@H+](CCOc1c(F)cccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000189358501 432780480 /nfs/dbraw/zinc/78/04/80/432780480.db2.gz XPUKVMYLTSUQCR-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000161492941 432781639 /nfs/dbraw/zinc/78/16/39/432781639.db2.gz BZXKOKDFZCYYGQ-GOEBONIOSA-N 1 0 314.385 3.330 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000235111169 432741842 /nfs/dbraw/zinc/74/18/42/432741842.db2.gz MZCXPXHZODISRE-NWDGAFQWSA-N 1 0 323.393 3.159 20 5 DGBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000267170338 432818797 /nfs/dbraw/zinc/81/87/97/432818797.db2.gz HYCHPDCJZYWHFR-LKFCYVNXSA-N 1 0 310.350 3.007 20 5 DGBDRO CC(=O)c1ccc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000267290300 432829370 /nfs/dbraw/zinc/82/93/70/432829370.db2.gz REKYDPSTIXPMED-ZIAGYGMSSA-N 1 0 305.378 3.082 20 5 DGBDRO CC(=O)c1ccc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000267290295 432829812 /nfs/dbraw/zinc/82/98/12/432829812.db2.gz REKYDPSTIXPMED-KGLIPLIRSA-N 1 0 305.378 3.082 20 5 DGBDRO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266761219 432785269 /nfs/dbraw/zinc/78/52/69/432785269.db2.gz GRPOERPHRRBDEX-BDJLRTHQSA-N 1 0 304.321 3.118 20 5 DGBDRO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266777596 432786820 /nfs/dbraw/zinc/78/68/20/432786820.db2.gz LVSHBYDRZUMFDV-CXAGYDPISA-N 1 0 300.358 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC[C@H]3CCCO3)CC2)cc1 ZINC000189477016 432789303 /nfs/dbraw/zinc/78/93/03/432789303.db2.gz OFIGZQWPXSGULL-OAHLLOKOSA-N 1 0 320.389 3.007 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1F ZINC000276282349 432790995 /nfs/dbraw/zinc/79/09/95/432790995.db2.gz GCJBCCUWUIRJIW-OAHLLOKOSA-N 1 0 321.396 3.184 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[NH+]2CCCCC2)cc1F ZINC000276282345 432791810 /nfs/dbraw/zinc/79/18/10/432791810.db2.gz GCJBCCUWUIRJIW-HNNXBMFYSA-N 1 0 321.396 3.184 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCOC2)s1 ZINC000178996031 432794153 /nfs/dbraw/zinc/79/41/53/432794153.db2.gz LNCJXYSIIFULCT-LLVKDONJSA-N 1 0 304.371 3.202 20 5 DGBDRO CCn1cc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000276309727 432794569 /nfs/dbraw/zinc/79/45/69/432794569.db2.gz LUTIVRUNFAOKDJ-CYBMUJFWSA-N 1 0 302.378 3.013 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(O)CCC2)s1 ZINC000238144960 432813349 /nfs/dbraw/zinc/81/33/49/432813349.db2.gz UTDSEGPATYYTKB-UHFFFAOYSA-N 1 0 318.398 3.328 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245755603 432861431 /nfs/dbraw/zinc/86/14/31/432861431.db2.gz HOHQRLJCUQOEKL-QWHCGFSZSA-N 1 0 307.394 3.290 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000268311317 432863435 /nfs/dbraw/zinc/86/34/35/432863435.db2.gz BRXSYECKUZCUNM-LBPRGKRZSA-N 1 0 323.393 3.112 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN(C[C@@H]1CCOC1)C1CC1 ZINC000163312910 432849581 /nfs/dbraw/zinc/84/95/81/432849581.db2.gz MWLNLXDGBWGWBG-NSHDSACASA-N 1 0 310.781 3.249 20 5 DGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000268199311 432854605 /nfs/dbraw/zinc/85/46/05/432854605.db2.gz XHCFEOLMPILLCI-BDJLRTHQSA-N 1 0 312.373 3.038 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000268226456 432856347 /nfs/dbraw/zinc/85/63/47/432856347.db2.gz KYSGCFJHDDUYCL-AWEZNQCLSA-N 1 0 321.421 3.131 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000245703599 432857099 /nfs/dbraw/zinc/85/70/99/432857099.db2.gz DOKGPQADMHOKFY-NWDGAFQWSA-N 1 0 308.378 3.090 20 5 DGBDRO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000277530165 432858415 /nfs/dbraw/zinc/85/84/15/432858415.db2.gz OSDHRKZPPUQDNF-VIFPVBQESA-N 1 0 324.274 3.162 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000279044427 432929268 /nfs/dbraw/zinc/92/92/68/432929268.db2.gz XMKBFPHTOUGERP-ZIAGYGMSSA-N 1 0 314.389 3.013 20 5 DGBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000296846153 432930826 /nfs/dbraw/zinc/93/08/26/432930826.db2.gz OLFMVOUPPLOZGT-PELKAZGASA-N 1 0 320.336 3.455 20 5 DGBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331434848 432940728 /nfs/dbraw/zinc/94/07/28/432940728.db2.gz GNQFQGNOCMCCCJ-GFCCVEGCSA-N 1 0 302.378 3.482 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCCCC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000278803844 432902473 /nfs/dbraw/zinc/90/24/73/432902473.db2.gz RIWOMRSEGUPUIH-CQSZACIVSA-N 1 0 322.405 3.487 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000330624509 432920026 /nfs/dbraw/zinc/92/00/26/432920026.db2.gz RLJSJVVXKSCPTM-HNNXBMFYSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000279394366 432964329 /nfs/dbraw/zinc/96/43/29/432964329.db2.gz ZBKSDBFQMPCKAS-SMDDNHRTSA-N 1 0 316.361 3.313 20 5 DGBDRO CC(C)(O)C1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000297501631 432997662 /nfs/dbraw/zinc/99/76/62/432997662.db2.gz WEDBKLUJRJYVPB-UHFFFAOYSA-N 1 0 316.357 3.058 20 5 DGBDRO Cc1cscc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331612541 432952806 /nfs/dbraw/zinc/95/28/06/432952806.db2.gz MKAMTOZJJQANMH-ZIAGYGMSSA-N 1 0 320.418 3.435 20 5 DGBDRO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000349746177 433002818 /nfs/dbraw/zinc/00/28/18/433002818.db2.gz ORVLVMRJXZMVDS-UHFFFAOYSA-N 1 0 302.334 3.019 20 5 DGBDRO C[NH+](C)C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000290195493 433010757 /nfs/dbraw/zinc/01/07/57/433010757.db2.gz UAXBFZXHYFLUEC-QGZVFWFLSA-N 1 0 317.364 3.126 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000290362760 433038896 /nfs/dbraw/zinc/03/88/96/433038896.db2.gz QUYSYJIYIRLJKT-AHIWAGSCSA-N 1 0 300.358 3.368 20 5 DGBDRO CSC1(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000290376347 433039880 /nfs/dbraw/zinc/03/98/80/433039880.db2.gz NRXFBBPTULRDHQ-UHFFFAOYSA-N 1 0 300.811 3.276 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000453333951 433099452 /nfs/dbraw/zinc/09/94/52/433099452.db2.gz WWCLSQCMIUGZGN-UXIGCNINSA-N 1 0 308.378 3.212 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000354458612 433096306 /nfs/dbraw/zinc/09/63/06/433096306.db2.gz QGYWFENSUBZDBX-JKSUJKDBSA-N 1 0 322.405 3.239 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000446891213 433121721 /nfs/dbraw/zinc/12/17/21/433121721.db2.gz VQDXRVYCWGCOON-SFHVURJKSA-N 1 0 311.385 3.396 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000453390209 433142861 /nfs/dbraw/zinc/14/28/61/433142861.db2.gz YCDIDMCPXYZKDA-PRXAMGSTSA-N 1 0 322.405 3.458 20 5 DGBDRO Cc1c([C@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000453385844 433143049 /nfs/dbraw/zinc/14/30/49/433143049.db2.gz UVFMHTPMYXHMMQ-WMLDXEAASA-N 1 0 304.390 3.467 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420280792 433143493 /nfs/dbraw/zinc/14/34/93/433143493.db2.gz LJFMGZJUHVUHRX-ZJUUUORDSA-N 1 0 315.320 3.126 20 5 DGBDRO CCc1ccccc1[C@@H]([NH3+])CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000420282878 433143757 /nfs/dbraw/zinc/14/37/57/433143757.db2.gz SLUWAXAGDGEGCR-HNNXBMFYSA-N 1 0 314.389 3.281 20 5 DGBDRO Cc1c([C@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000453385845 433144278 /nfs/dbraw/zinc/14/42/78/433144278.db2.gz UVFMHTPMYXHMMQ-YOEHRIQHSA-N 1 0 304.390 3.467 20 5 DGBDRO Cc1c(C[NH+]2CCC(c3ccncn3)CC2)cccc1[N+](=O)[O-] ZINC000298482005 433151321 /nfs/dbraw/zinc/15/13/21/433151321.db2.gz SXPOXHHJTUDXSE-UHFFFAOYSA-N 1 0 312.373 3.073 20 5 DGBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446836632 433112856 /nfs/dbraw/zinc/11/28/56/433112856.db2.gz RVRMFYZYKWREDA-NEPJUHHUSA-N 1 0 302.378 3.387 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453355798 433117167 /nfs/dbraw/zinc/11/71/67/433117167.db2.gz IUFLEEBGWLBVED-RHSMWYFYSA-N 1 0 304.390 3.028 20 5 DGBDRO CC(C)[C@]1(CO)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000354569421 433155185 /nfs/dbraw/zinc/15/51/85/433155185.db2.gz PLNDZIOXZDRUJW-GNJLHFKMSA-N 1 0 318.417 3.339 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000280798036 433176063 /nfs/dbraw/zinc/17/60/63/433176063.db2.gz VMHIZLPQNQRGLC-LSDHHAIUSA-N 1 0 317.389 3.226 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425361963 433203092 /nfs/dbraw/zinc/20/30/92/433203092.db2.gz YXTLPHZGCPGUDZ-FGCGXKTGSA-N 1 0 315.417 3.024 20 5 DGBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582848 433234956 /nfs/dbraw/zinc/23/49/56/433234956.db2.gz AAQCRUMFCXMTEX-PJSAGSTRSA-N 1 0 315.417 3.045 20 5 DGBDRO C[C@]1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000374642341 433247315 /nfs/dbraw/zinc/24/73/15/433247315.db2.gz CIAMLUMQXHSYQD-CABCVRRESA-N 1 0 310.781 3.295 20 5 DGBDRO CC(C)[NH+](CCN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000447681600 433260311 /nfs/dbraw/zinc/26/03/11/433260311.db2.gz PSONNRPZDJVPGB-UHFFFAOYSA-N 1 0 319.409 3.026 20 5 DGBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(F)cc1 ZINC000350725478 433265006 /nfs/dbraw/zinc/26/50/06/433265006.db2.gz XQUZWYZUPFZAPA-GFCCVEGCSA-N 1 0 306.341 3.014 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1C ZINC000413216667 433267926 /nfs/dbraw/zinc/26/79/26/433267926.db2.gz UNGUURAPBANKLH-CHWSQXEVSA-N 1 0 314.389 3.062 20 5 DGBDRO CO[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000338548384 433304628 /nfs/dbraw/zinc/30/46/28/433304628.db2.gz XHKVCYGGKIDWJC-QGZVFWFLSA-N 1 0 300.358 3.414 20 5 DGBDRO CC[NH+]1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000338623052 433308497 /nfs/dbraw/zinc/30/84/97/433308497.db2.gz ADEQRBXECUQUBE-UHFFFAOYSA-N 1 0 317.311 3.064 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)c(Cl)c1 ZINC000421012046 433387157 /nfs/dbraw/zinc/38/71/57/433387157.db2.gz HXFBIBUQIMASCA-GFCCVEGCSA-N 1 0 312.797 3.233 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000301174510 433439561 /nfs/dbraw/zinc/43/95/61/433439561.db2.gz KWRWHOABWUYRKH-UHFFFAOYSA-N 1 0 311.385 3.225 20 5 DGBDRO C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000339213102 433442424 /nfs/dbraw/zinc/44/24/24/433442424.db2.gz POXMBMLWDNQOQI-LBPRGKRZSA-N 1 0 314.341 3.084 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000119098739 290047980 /nfs/dbraw/zinc/04/79/80/290047980.db2.gz MZRUUEKRKXNXTM-SFHVURJKSA-N 1 0 311.385 3.084 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000337558378 290049966 /nfs/dbraw/zinc/04/99/66/290049966.db2.gz SRDOYTADSYUGJH-XHVZSJERSA-N 1 0 300.305 3.406 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CS1 ZINC000414227047 433469399 /nfs/dbraw/zinc/46/93/99/433469399.db2.gz KIFSESSCXHHVIR-KCPJHIHWSA-N 1 0 306.431 3.400 20 5 DGBDRO CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000301342867 433516074 /nfs/dbraw/zinc/51/60/74/433516074.db2.gz JIARRWKSOLGNQU-NSHDSACASA-N 1 0 317.311 3.144 20 5 DGBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000351500029 433533936 /nfs/dbraw/zinc/53/39/36/433533936.db2.gz FXKIWIMYIMTZGV-KRWDZBQOSA-N 1 0 306.406 3.455 20 5 DGBDRO CC[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000421390739 433536312 /nfs/dbraw/zinc/53/63/12/433536312.db2.gz VBOOFEPBKPIQHJ-GFCCVEGCSA-N 1 0 302.378 3.131 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000421359793 433501416 /nfs/dbraw/zinc/50/14/16/433501416.db2.gz GWONJBFMHFIYBE-HIFRSBDPSA-N 1 0 306.406 3.169 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426453173 433501707 /nfs/dbraw/zinc/50/17/07/433501707.db2.gz CZTHZTYIVPXWFN-CZUORRHYSA-N 1 0 317.389 3.106 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)n2)c1 ZINC000426466665 433505591 /nfs/dbraw/zinc/50/55/91/433505591.db2.gz GVLNCMBZGJLAIZ-SMDDNHRTSA-N 1 0 314.345 3.019 20 5 DGBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C)C1 ZINC000362153915 433550642 /nfs/dbraw/zinc/55/06/42/433550642.db2.gz YVKORNWWPBKISL-RHSMWYFYSA-N 1 0 306.406 3.274 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000339387992 433553705 /nfs/dbraw/zinc/55/37/05/433553705.db2.gz UBZQSNXDAFIHQA-FUEXJSSKSA-N 1 0 320.324 3.333 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000421412952 433557084 /nfs/dbraw/zinc/55/70/84/433557084.db2.gz UVWANEJGXJGZOG-IDKBZEPQSA-N 1 0 303.406 3.024 20 5 DGBDRO Cc1cc(N2CC[NH+](CC3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000301445142 433557900 /nfs/dbraw/zinc/55/79/00/433557900.db2.gz QNFWCXIQYPYLQM-UHFFFAOYSA-N 1 0 318.421 3.001 20 5 DGBDRO CCCCN(CC)C(=O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000342271777 433575822 /nfs/dbraw/zinc/57/58/22/433575822.db2.gz YERKVOQQVIZORW-INIZCTEOSA-N 1 0 321.421 3.284 20 5 DGBDRO CCOc1cc(NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301504513 433584254 /nfs/dbraw/zinc/58/42/54/433584254.db2.gz GJKLSCBFWOHMFK-UHFFFAOYSA-N 1 0 307.394 3.278 20 5 DGBDRO C[C@H](NCc1nc2cccnc2s1)c1ccccc1[N+](=O)[O-] ZINC000342287996 433589399 /nfs/dbraw/zinc/58/93/99/433589399.db2.gz XZEBGTHAQUFGAG-JTQLQIEISA-N 1 0 314.370 3.450 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCCCC1 ZINC000301522221 433592270 /nfs/dbraw/zinc/59/22/70/433592270.db2.gz LUOLNGOXUIQSDX-UHFFFAOYSA-N 1 0 307.394 3.029 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161072730 292827247 /nfs/dbraw/zinc/82/72/47/292827247.db2.gz ALEVFIGBPFXJTG-KKUMJFAQSA-N 1 0 305.422 3.427 20 5 DGBDRO Cc1cc(N(C)CC2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301422579 433547618 /nfs/dbraw/zinc/54/76/18/433547618.db2.gz AHVYLEGZRSBORU-UHFFFAOYSA-N 1 0 311.813 3.335 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000301628559 433645869 /nfs/dbraw/zinc/64/58/69/433645869.db2.gz IBPNXOLIYQVLHK-GASCZTMLSA-N 1 0 321.421 3.205 20 5 DGBDRO Cc1nc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301623757 433645935 /nfs/dbraw/zinc/64/59/35/433645935.db2.gz GKMPZMOFYLKLBC-WBMJQRKESA-N 1 0 306.410 3.221 20 5 DGBDRO COCC1(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000339452461 433597707 /nfs/dbraw/zinc/59/77/07/433597707.db2.gz KVOADTASSPPYFP-DAXSKMNVSA-N 1 0 304.390 3.404 20 5 DGBDRO CCOc1cc(N2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301559969 433610913 /nfs/dbraw/zinc/61/09/13/433610913.db2.gz XQYRNZMUSJVPNZ-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283196291 433691498 /nfs/dbraw/zinc/69/14/98/433691498.db2.gz GCATYVZKSSWEKX-ZFWWWQNUSA-N 1 0 317.389 3.188 20 5 DGBDRO Cc1nc(NCCCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301635487 433650273 /nfs/dbraw/zinc/65/02/73/433650273.db2.gz KTVHEGWYAXDBDR-CYBMUJFWSA-N 1 0 306.410 3.222 20 5 DGBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000356798659 433699078 /nfs/dbraw/zinc/69/90/78/433699078.db2.gz RILUTDJCCXDPNB-UWVGGRQHSA-N 1 0 317.311 3.142 20 5 DGBDRO Cc1ccoc1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293341621 433704794 /nfs/dbraw/zinc/70/47/94/433704794.db2.gz GPADNYRUOBTTPP-LBPRGKRZSA-N 1 0 317.345 3.003 20 5 DGBDRO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000301749453 433707109 /nfs/dbraw/zinc/70/71/09/433707109.db2.gz AABGDJANBDIUHR-KSSFIOAISA-N 1 0 315.417 3.356 20 5 DGBDRO Cc1c(CN2CCOC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000362432523 433708105 /nfs/dbraw/zinc/70/81/05/433708105.db2.gz AKTXYGHPEALYJW-GOSISDBHSA-N 1 0 312.369 3.477 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000374048509 293346922 /nfs/dbraw/zinc/34/69/22/293346922.db2.gz HIZRFWOSXLFNNH-OAHLLOKOSA-N 1 0 314.389 3.098 20 5 DGBDRO Cc1cc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000301781691 433720638 /nfs/dbraw/zinc/72/06/38/433720638.db2.gz NIOAPHJYJVKRIJ-CQSZACIVSA-N 1 0 306.410 3.078 20 5 DGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000301782136 433721027 /nfs/dbraw/zinc/72/10/27/433721027.db2.gz JWOQHDZJWWTHJE-LLVKDONJSA-N 1 0 313.348 3.184 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H]2c2ccco2)c1 ZINC000414576484 433734501 /nfs/dbraw/zinc/73/45/01/433734501.db2.gz GNDKWAMOBDYRSY-VXGBXAGGSA-N 1 0 324.283 3.435 20 5 DGBDRO CSc1cccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)c1[N+](=O)[O-] ZINC000414622747 433751327 /nfs/dbraw/zinc/75/13/27/433751327.db2.gz SQUCOXRPQKBLBR-JTQLQIEISA-N 1 0 322.390 3.413 20 5 DGBDRO Cc1nc(NC[C@@H]2CCCC[N@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000301785655 433722602 /nfs/dbraw/zinc/72/26/02/433722602.db2.gz LOGGQKYYSXSWLE-AWEZNQCLSA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1cc(N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000302495651 433824326 /nfs/dbraw/zinc/82/43/26/433824326.db2.gz JVUXHFKAYMBBRJ-MRXNPFEDSA-N 1 0 303.406 3.358 20 5 DGBDRO CC[C@H](C)[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293567514 433786268 /nfs/dbraw/zinc/78/62/68/433786268.db2.gz MREZKQGNYAPOIC-JTQLQIEISA-N 1 0 320.311 3.206 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000449792016 433805904 /nfs/dbraw/zinc/80/59/04/433805904.db2.gz RBCYRZFZJIPEGT-IPJDOKCGSA-N 1 0 304.390 3.093 20 5 DGBDRO CCC[C@](C)(O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433174721 433844737 /nfs/dbraw/zinc/84/47/37/433844737.db2.gz KDTOJDYPSVVLDC-RDJZCZTQSA-N 1 0 306.406 3.458 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433258460 433850241 /nfs/dbraw/zinc/85/02/41/433850241.db2.gz UGUGUMRWHKAHBN-QEORTHHSSA-N 1 0 318.417 3.458 20 5 DGBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302752749 433853334 /nfs/dbraw/zinc/85/33/34/433853334.db2.gz HNICFOLVIKACOC-GFCCVEGCSA-N 1 0 311.813 3.416 20 5 DGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302762850 433853357 /nfs/dbraw/zinc/85/33/57/433853357.db2.gz KRYLGIAKYXRDNK-OLZOCXBDSA-N 1 0 309.797 3.311 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(C[NH3+])cc1 ZINC000414904964 433908929 /nfs/dbraw/zinc/90/89/29/433908929.db2.gz AFKKVTDNAWIMNC-UHFFFAOYSA-N 1 0 301.346 3.064 20 5 DGBDRO Cc1cc(NCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000302959199 433911848 /nfs/dbraw/zinc/91/18/48/433911848.db2.gz PUTMHKHOAGZQKU-UHFFFAOYSA-N 1 0 311.385 3.373 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(CNCc3ccccc3Cl)nc2c1 ZINC000352124083 433925998 /nfs/dbraw/zinc/92/59/98/433925998.db2.gz VNYIIKIIDWSKBB-UHFFFAOYSA-N 1 0 316.748 3.414 20 5 DGBDRO C[C@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]1 ZINC000414948675 433929079 /nfs/dbraw/zinc/92/90/79/433929079.db2.gz MNRJMJYCEYDLOA-JSGCOSHPSA-N 1 0 315.373 3.085 20 5 DGBDRO C[NH+](C)CCN(Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000357139510 433880818 /nfs/dbraw/zinc/88/08/18/433880818.db2.gz QSUIIJKCIRUNES-UHFFFAOYSA-N 1 0 313.401 3.159 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293840731 433891563 /nfs/dbraw/zinc/89/15/63/433891563.db2.gz SWFMGHQLSYMVOP-LBPRGKRZSA-N 1 0 314.389 3.094 20 5 DGBDRO CC[NH2+]Cc1cccc(NCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000414864166 433891997 /nfs/dbraw/zinc/89/19/97/433891997.db2.gz JLXHTDUCDPFRCK-UHFFFAOYSA-N 1 0 303.337 3.456 20 5 DGBDRO C[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000285448181 433951121 /nfs/dbraw/zinc/95/11/21/433951121.db2.gz XTYVIFGZACRCQJ-SECBINFHSA-N 1 0 302.346 3.200 20 5 DGBDRO CC(C)c1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422732189 433955935 /nfs/dbraw/zinc/95/59/35/433955935.db2.gz NIDZCTYJNMOMPE-WFASDCNBSA-N 1 0 319.405 3.060 20 5 DGBDRO C[C@H]1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]1 ZINC000414957599 293894122 /nfs/dbraw/zinc/89/41/22/293894122.db2.gz WCMJIUYWBQPMDO-QWHCGFSZSA-N 1 0 315.373 3.085 20 5 DGBDRO CSC1(CNc2ccc([N+](=O)[O-])cc2C)CC[NH+](C)CC1 ZINC000357544763 434071501 /nfs/dbraw/zinc/07/15/01/434071501.db2.gz GRYIVJQAGMUNER-UHFFFAOYSA-N 1 0 309.435 3.143 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000357554895 434075295 /nfs/dbraw/zinc/07/52/95/434075295.db2.gz SXLVYZARHVPLSI-UONOGXRCSA-N 1 0 319.405 3.495 20 5 DGBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000309759454 434098692 /nfs/dbraw/zinc/09/86/92/434098692.db2.gz XRAHVTNRGKDLPR-XJKSGUPXSA-N 1 0 312.373 3.065 20 5 DGBDRO CCc1cc(OC)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000501392561 294139669 /nfs/dbraw/zinc/13/96/69/294139669.db2.gz WMSLEJSJVVDCFI-UHFFFAOYSA-N 1 0 300.358 3.456 20 5 DGBDRO CCc1cc(OC)ccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000501478109 294141638 /nfs/dbraw/zinc/14/16/38/294141638.db2.gz MSGJZQSNIZYPCG-UHFFFAOYSA-N 1 0 314.385 3.498 20 5 DGBDRO COc1cc(NC[C@@H](CC(C)C)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000508251430 294320742 /nfs/dbraw/zinc/32/07/42/294320742.db2.gz ZEERYHCRXJHSGG-LLVKDONJSA-N 1 0 313.373 3.131 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000340452537 434138746 /nfs/dbraw/zinc/13/87/46/434138746.db2.gz STSLNQAXMQCUTQ-RYUDHWBXSA-N 1 0 301.346 3.416 20 5 DGBDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000286035934 434144418 /nfs/dbraw/zinc/14/44/18/434144418.db2.gz QOKBLTZSFDGCKY-DZGCQCFKSA-N 1 0 322.405 3.119 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357774942 434173904 /nfs/dbraw/zinc/17/39/04/434173904.db2.gz NJBAEOAFSNZORQ-GFCCVEGCSA-N 1 0 317.393 3.070 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CN(C)Cc2ccccc21 ZINC000363884089 434174169 /nfs/dbraw/zinc/17/41/69/434174169.db2.gz FOAVAYBXPUGSRA-SFHVURJKSA-N 1 0 311.385 3.180 20 5 DGBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295071593 434177005 /nfs/dbraw/zinc/17/70/05/434177005.db2.gz PHTKGLBTMJMHDZ-GFCCVEGCSA-N 1 0 318.373 3.494 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450485372 434220343 /nfs/dbraw/zinc/22/03/43/434220343.db2.gz NGNOLWXFZPRVJD-GOSISDBHSA-N 1 0 317.433 3.216 20 5 DGBDRO Cc1nc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000357791051 434182809 /nfs/dbraw/zinc/18/28/09/434182809.db2.gz HPVGKBQDZTYKEL-GFCCVEGCSA-N 1 0 317.389 3.353 20 5 DGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000286213852 434198963 /nfs/dbraw/zinc/19/89/63/434198963.db2.gz QQPPJCJVLPHXFH-RISCZKNCSA-N 1 0 321.402 3.500 20 5 DGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000286213871 434199726 /nfs/dbraw/zinc/19/97/26/434199726.db2.gz QQPPJCJVLPHXFH-SMDDNHRTSA-N 1 0 321.402 3.500 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000317287614 434200643 /nfs/dbraw/zinc/20/06/43/434200643.db2.gz QMQZRFFCPMBJFB-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO CCC[C@](C)(O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000318446321 434210056 /nfs/dbraw/zinc/21/00/56/434210056.db2.gz FIUABKBHGRIGHX-INIZCTEOSA-N 1 0 303.362 3.414 20 5 DGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286258295 434213253 /nfs/dbraw/zinc/21/32/53/434213253.db2.gz AWPUXGNYYPBPQI-SCYJSFNGSA-N 1 0 322.792 3.103 20 5 DGBDRO CCOc1ccc([C@@H](C)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000423177238 434268670 /nfs/dbraw/zinc/26/86/70/434268670.db2.gz IOWKLBAALKZXKJ-CYBMUJFWSA-N 1 0 321.421 3.306 20 5 DGBDRO [NH3+]C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000423185754 434269449 /nfs/dbraw/zinc/26/94/49/434269449.db2.gz WCTCWHFIDYCTLG-INIZCTEOSA-N 1 0 303.406 3.223 20 5 DGBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000516076952 294588284 /nfs/dbraw/zinc/58/82/84/294588284.db2.gz URQGPKWOKPMHIU-ZDUSSCGKSA-N 1 0 321.421 3.160 20 5 DGBDRO Cc1cc(NC[C@H]2CCCSC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000384121020 434292466 /nfs/dbraw/zinc/29/24/66/434292466.db2.gz JBQILSYMEXZPJF-GFCCVEGCSA-N 1 0 317.414 3.428 20 5 DGBDRO N[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423238829 434306216 /nfs/dbraw/zinc/30/62/16/434306216.db2.gz JOXQONQIXUMZIW-MSOLQXFVSA-N 1 0 311.385 3.262 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353681724 434332974 /nfs/dbraw/zinc/33/29/74/434332974.db2.gz BJDOJWMKXJEVBE-INWMFGNUSA-N 1 0 314.389 3.196 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000295401286 434343740 /nfs/dbraw/zinc/34/37/40/434343740.db2.gz MEQOUSZKHACYBE-AWEZNQCLSA-N 1 0 324.808 3.482 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(C3CC3)C1)CCCC2 ZINC000417300301 434350489 /nfs/dbraw/zinc/35/04/89/434350489.db2.gz AKNVZWOVAGWSJV-KSSFIOAISA-N 1 0 315.417 3.189 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000395294452 434414365 /nfs/dbraw/zinc/41/43/65/434414365.db2.gz PRZIQYNPIHJDTH-AWEZNQCLSA-N 1 0 312.797 3.279 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000353780082 434427641 /nfs/dbraw/zinc/42/76/41/434427641.db2.gz KGIGEGAJSMAXMX-JKSUJKDBSA-N 1 0 322.405 3.239 20 5 DGBDRO C[C@@H](CC(C)(C)O)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000295845816 434439968 /nfs/dbraw/zinc/43/99/68/434439968.db2.gz ATMAGGXXTJJSQJ-NHYWBVRUSA-N 1 0 306.406 3.456 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1F ZINC000296081439 434500756 /nfs/dbraw/zinc/50/07/56/434500756.db2.gz SLOQZUVDGXGGMT-DAXOMENPSA-N 1 0 320.364 3.171 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCOC1 ZINC000348708918 434457743 /nfs/dbraw/zinc/45/77/43/434457743.db2.gz ALDKPRVETCNAPT-OAHLLOKOSA-N 1 0 316.357 3.466 20 5 DGBDRO Cc1nc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000408284366 434558545 /nfs/dbraw/zinc/55/85/45/434558545.db2.gz XQVZBNGDAXIJHH-NFAWXSAZSA-N 1 0 318.421 3.140 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525408841 295014309 /nfs/dbraw/zinc/01/43/09/295014309.db2.gz KWNCRKLZTRUXPC-HZPDHXFCSA-N 1 0 306.406 3.273 20 5 DGBDRO CCc1cc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)on1 ZINC000527038714 295072927 /nfs/dbraw/zinc/07/29/27/295072927.db2.gz NACHWYQCICPKNM-KPKJPENVSA-N 1 0 301.346 3.338 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451463325 434569120 /nfs/dbraw/zinc/56/91/20/434569120.db2.gz XGXKZXHOXSCDBH-MRXNPFEDSA-N 1 0 320.389 3.295 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000360328767 434579523 /nfs/dbraw/zinc/57/95/23/434579523.db2.gz HJIIYHNOXNMXCB-IATRGZMQSA-N 1 0 319.405 3.336 20 5 DGBDRO CO[C@@H]1C[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451849991 434580842 /nfs/dbraw/zinc/58/08/42/434580842.db2.gz LFHJVGOXBKKIAU-JKSUJKDBSA-N 1 0 304.390 3.027 20 5 DGBDRO Cc1ccc(CN(CC[NH+](C)C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC000349036224 434584737 /nfs/dbraw/zinc/58/47/37/434584737.db2.gz NWKPQCXCYNGUJK-UHFFFAOYSA-N 1 0 317.389 3.060 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261854578 295326177 /nfs/dbraw/zinc/32/61/77/295326177.db2.gz DWQMGJFSDGAOBQ-CQSZACIVSA-N 1 0 317.776 3.138 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C(C)C ZINC000349211507 434638620 /nfs/dbraw/zinc/63/86/20/434638620.db2.gz YEKPBABBTHHGIV-OLZOCXBDSA-N 1 0 312.435 3.072 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000360598139 434644410 /nfs/dbraw/zinc/64/44/10/434644410.db2.gz NZOQQCSGEYNDDJ-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)c1ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000439414065 434599062 /nfs/dbraw/zinc/59/90/62/434599062.db2.gz ZSOVROKYLZAFBZ-UHFFFAOYSA-N 1 0 321.421 3.178 20 5 DGBDRO CC(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(CO)CCCC1 ZINC000459549203 434603142 /nfs/dbraw/zinc/60/31/42/434603142.db2.gz YWEWADGVUZDFKL-QGZVFWFLSA-N 1 0 320.433 3.304 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]2C2CCC2)n1 ZINC000424315737 434693659 /nfs/dbraw/zinc/69/36/59/434693659.db2.gz AKKMHRHJMJTDQE-XQLPTFJDSA-N 1 0 304.394 3.053 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000349248187 434650978 /nfs/dbraw/zinc/65/09/78/434650978.db2.gz REMKCQATHXSBMZ-WBMJQRKESA-N 1 0 308.378 3.071 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000360621603 434652319 /nfs/dbraw/zinc/65/23/19/434652319.db2.gz TZHYWJRXHNABSG-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1ccc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000354181952 434659866 /nfs/dbraw/zinc/65/98/66/434659866.db2.gz VSHPJCYZZGTARO-MRXNPFEDSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000360668459 434660978 /nfs/dbraw/zinc/66/09/78/434660978.db2.gz HUPXVWWQMAMMRV-OKILXGFUSA-N 1 0 320.437 3.468 20 5 DGBDRO COc1cccc2c1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C2 ZINC000459704048 434669851 /nfs/dbraw/zinc/66/98/51/434669851.db2.gz PJLYCOGTZBXJPX-HNNXBMFYSA-N 1 0 312.369 3.169 20 5 DGBDRO C[NH+](C)CCN(Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000349332682 434677297 /nfs/dbraw/zinc/67/72/97/434677297.db2.gz OGRUYAYTELMPCA-UHFFFAOYSA-N 1 0 319.430 3.220 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2CCC1CC2 ZINC000371386674 434687226 /nfs/dbraw/zinc/68/72/26/434687226.db2.gz CRMIPLCDDSMVNC-UHFFFAOYSA-N 1 0 317.389 3.106 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+](C(C)C)C(C)C ZINC000360987393 434754166 /nfs/dbraw/zinc/75/41/66/434754166.db2.gz ZOAMDDDALTYKSP-UHFFFAOYSA-N 1 0 311.430 3.040 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000371442632 434703616 /nfs/dbraw/zinc/70/36/16/434703616.db2.gz KBWUVKNVTNVGOW-HZPDHXFCSA-N 1 0 304.390 3.233 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000459770491 434707799 /nfs/dbraw/zinc/70/77/99/434707799.db2.gz RIBIABMKQXRLEX-KBPBESRZSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459770162 434708408 /nfs/dbraw/zinc/70/84/08/434708408.db2.gz MPXBDKQMNSSZKF-LBPRGKRZSA-N 1 0 308.378 3.004 20 5 DGBDRO C[C@@H]1CC2(C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424378452 434715033 /nfs/dbraw/zinc/71/50/33/434715033.db2.gz NELBVDQFWQWUDS-CSPWOOARSA-N 1 0 315.417 3.072 20 5 DGBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000424382009 434717179 /nfs/dbraw/zinc/71/71/79/434717179.db2.gz RSOVMIFJBIKSMT-HUUCEWRRSA-N 1 0 315.373 3.214 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459792535 434722340 /nfs/dbraw/zinc/72/23/40/434722340.db2.gz SGWLYYHSSMQSKS-KBRIMQKVSA-N 1 0 318.417 3.463 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000459807627 434727099 /nfs/dbraw/zinc/72/70/99/434727099.db2.gz RGZWXIQTYHCXOM-JSGCOSHPSA-N 1 0 319.405 3.480 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000360951787 434742037 /nfs/dbraw/zinc/74/20/37/434742037.db2.gz SMWYHVFHRHFOIQ-QWHCGFSZSA-N 1 0 307.394 3.136 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000441481440 434767107 /nfs/dbraw/zinc/76/71/07/434767107.db2.gz NRBXMNSQDKYBPC-ZIAGYGMSSA-N 1 0 300.362 3.189 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000441481438 434763664 /nfs/dbraw/zinc/76/36/64/434763664.db2.gz NRBXMNSQDKYBPC-KGLIPLIRSA-N 1 0 300.362 3.189 20 5 DGBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000419394174 434785641 /nfs/dbraw/zinc/78/56/41/434785641.db2.gz ONKACMUQNJFEIM-IJLUTSLNSA-N 1 0 316.361 3.121 20 5 DGBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000419394177 434786971 /nfs/dbraw/zinc/78/69/71/434786971.db2.gz ONKACMUQNJFEIM-UTUOFQBUSA-N 1 0 316.361 3.121 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419372732 434781067 /nfs/dbraw/zinc/78/10/67/434781067.db2.gz MWPZYELLZMMWPM-IHRRRGAJSA-N 1 0 319.405 3.208 20 5 DGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CCC1 ZINC000445602177 434814820 /nfs/dbraw/zinc/81/48/20/434814820.db2.gz XIDAUTXWORPIFQ-UHFFFAOYSA-N 1 0 315.320 3.092 20 5 DGBDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000411766449 434826866 /nfs/dbraw/zinc/82/68/66/434826866.db2.gz CHAZMJIYPVTCLK-JTQLQIEISA-N 1 0 320.370 3.294 20 5 DGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411811982 434830893 /nfs/dbraw/zinc/83/08/93/434830893.db2.gz WAMJONFMPSPMSH-GFCCVEGCSA-N 1 0 305.378 3.186 20 5 DGBDRO C[C@@H](CCCCO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453286926 434849415 /nfs/dbraw/zinc/84/94/15/434849415.db2.gz NLGFLKWHDFLAJD-LRDDRELGSA-N 1 0 306.406 3.458 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC(C)(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000412041494 434859514 /nfs/dbraw/zinc/85/95/14/434859514.db2.gz LMNVYZOKYAYGGI-WCQYABFASA-N 1 0 319.405 3.351 20 5 DGBDRO Cc1cc(N(C)[C@@H](C)C2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461960330 434894433 /nfs/dbraw/zinc/89/44/33/434894433.db2.gz UFMSGDSSFABERB-LBPRGKRZSA-N 1 0 309.385 3.209 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000462367785 434910084 /nfs/dbraw/zinc/91/00/84/434910084.db2.gz FTRXLIUDNBEZBO-SNVBAGLBSA-N 1 0 317.336 3.338 20 5 DGBDRO CC(C)[C@H](CO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000554096009 434913196 /nfs/dbraw/zinc/91/31/96/434913196.db2.gz VQSKRXISYATFAV-LRDDRELGSA-N 1 0 306.406 3.171 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463029236 434940268 /nfs/dbraw/zinc/94/02/68/434940268.db2.gz OASLTWNSMLMQLT-CVEARBPZSA-N 1 0 306.406 3.319 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000492175884 434931005 /nfs/dbraw/zinc/93/10/05/434931005.db2.gz NVTVMZGGXZXJJK-STQMWFEESA-N 1 0 324.808 3.497 20 5 DGBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000578244806 435069843 /nfs/dbraw/zinc/06/98/43/435069843.db2.gz LMKXCHDECLXHCG-OCCSQVGLSA-N 1 0 315.373 3.166 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000556966757 435041285 /nfs/dbraw/zinc/04/12/85/435041285.db2.gz CLBPQXBGAQRVMA-LTBFUDJGSA-N 1 0 304.390 3.093 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000556981300 435042396 /nfs/dbraw/zinc/04/23/96/435042396.db2.gz XHUPNRGCTGSNMH-JZLODUJNSA-N 1 0 304.390 3.355 20 5 DGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000466931585 435102156 /nfs/dbraw/zinc/10/21/56/435102156.db2.gz XCKAUAWHMBJQKG-STQMWFEESA-N 1 0 308.378 3.103 20 5 DGBDRO CC(C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000467173504 435110000 /nfs/dbraw/zinc/11/00/00/435110000.db2.gz CWJMNOLNQSRGSO-KGLIPLIRSA-N 1 0 319.405 3.290 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000467432858 435122232 /nfs/dbraw/zinc/12/22/32/435122232.db2.gz FVFAYURZQDVPHJ-UKRRQHHQSA-N 1 0 306.406 3.434 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCC[NH+]1CCCC1 ZINC000467516658 435124314 /nfs/dbraw/zinc/12/43/14/435124314.db2.gz NSINSDGOADALAK-DTQAZKPQSA-N 1 0 317.433 3.416 20 5 DGBDRO COc1cccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000475498399 435200167 /nfs/dbraw/zinc/20/01/67/435200167.db2.gz OEJHRKIWOONEAV-CQSZACIVSA-N 1 0 319.405 3.280 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000475566203 435203047 /nfs/dbraw/zinc/20/30/47/435203047.db2.gz NXMZFWLNWVDAEU-MCIONIFRSA-N 1 0 319.405 3.338 20 5 DGBDRO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000532249810 435152434 /nfs/dbraw/zinc/15/24/34/435152434.db2.gz LDVGCKKMMBLESW-DYVFJYSZSA-N 1 0 300.358 3.287 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000533300030 435224696 /nfs/dbraw/zinc/22/46/96/435224696.db2.gz XDLULTPYKAGNMQ-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO CCCCN(C)C[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000561754865 435232344 /nfs/dbraw/zinc/23/23/44/435232344.db2.gz ZHHOFGFJWVGSPZ-HQPKTYMTSA-N 1 0 305.422 3.318 20 5 DGBDRO COc1cc(C[N@H+](C)[C@H](C)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000534349882 435285997 /nfs/dbraw/zinc/28/59/97/435285997.db2.gz NOXPAHQTKVFHPM-LLVKDONJSA-N 1 0 310.394 3.478 20 5 DGBDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000478282934 435295991 /nfs/dbraw/zinc/29/59/91/435295991.db2.gz VQDMSKHPLVPEQG-UKRRQHHQSA-N 1 0 310.369 3.417 20 5 DGBDRO CCc1ccc([C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C(C)C)cc1 ZINC000478421569 435299516 /nfs/dbraw/zinc/29/95/16/435299516.db2.gz AMNRGBSPEKNLHZ-QGZVFWFLSA-N 1 0 316.405 3.341 20 5 DGBDRO CCC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000567262385 435303112 /nfs/dbraw/zinc/30/31/12/435303112.db2.gz MTOMHKAPTIXZLN-UHFFFAOYSA-N 1 0 319.405 3.483 20 5 DGBDRO C[C@H](C[NH+]1CCCCCC1)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000479605226 435342337 /nfs/dbraw/zinc/34/23/37/435342337.db2.gz XENLCTHZUVEMDO-SIJIIQCFSA-N 1 0 317.433 3.462 20 5 DGBDRO Cc1ccc(CN[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000479601306 435342496 /nfs/dbraw/zinc/34/24/96/435342496.db2.gz HFEIQPJDDITNLN-HNNXBMFYSA-N 1 0 305.422 3.257 20 5 DGBDRO C[C@@H](C[NH+]1CCCCCC1)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000479605231 435343103 /nfs/dbraw/zinc/34/31/03/435343103.db2.gz XENLCTHZUVEMDO-YHWKNFMLSA-N 1 0 317.433 3.462 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000480005089 435360726 /nfs/dbraw/zinc/36/07/26/435360726.db2.gz FYOMBFVCYXPWGO-DGCLKSJQSA-N 1 0 305.378 3.082 20 5 DGBDRO C[N@H+](CCOc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511072280 435312322 /nfs/dbraw/zinc/31/23/22/435312322.db2.gz DMYKXMYULZDDJQ-UHFFFAOYSA-N 1 0 300.358 3.148 20 5 DGBDRO Cn1cc(C[NH+]2C3CCC2CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535066923 435314463 /nfs/dbraw/zinc/31/44/63/435314463.db2.gz ZCPYRTHKQNERIY-UHFFFAOYSA-N 1 0 312.373 3.122 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000481174540 435413365 /nfs/dbraw/zinc/41/33/65/435413365.db2.gz LGYMDOZILONUPL-VNHYZAJKSA-N 1 0 322.405 3.397 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000481180929 435413976 /nfs/dbraw/zinc/41/39/76/435413976.db2.gz VGPZCHPJHOBWRM-GDBMZVCRSA-N 1 0 314.385 3.097 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCN2CCCCCC2)cccc1[N+](=O)[O-] ZINC000480277476 435373575 /nfs/dbraw/zinc/37/35/75/435373575.db2.gz XDXVITGDHCMNDS-OAHLLOKOSA-N 1 0 305.422 3.430 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000513100110 435378269 /nfs/dbraw/zinc/37/82/69/435378269.db2.gz GSYPEJRLWWUTLD-RXBGNRNISA-N 1 0 317.433 3.462 20 5 DGBDRO Cc1c(C[NH2+]CC2=Cc3ccccc3OC2)cccc1[N+](=O)[O-] ZINC000480472625 435380279 /nfs/dbraw/zinc/38/02/79/435380279.db2.gz QJRLVHVMVUMHJE-UHFFFAOYSA-N 1 0 310.353 3.469 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2CCCC[C@H]2O)C2CC2)c1 ZINC000514605710 435423618 /nfs/dbraw/zinc/42/36/18/435423618.db2.gz OPKQZNRSCASVPV-RHSMWYFYSA-N 1 0 304.390 3.110 20 5 DGBDRO CC[C@@H](C[N@H+](CC)CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000481761954 435440849 /nfs/dbraw/zinc/44/08/49/435440849.db2.gz RTSUEZCZNLCDKO-HNNXBMFYSA-N 1 0 316.405 3.307 20 5 DGBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538717488 435514292 /nfs/dbraw/zinc/51/42/92/435514292.db2.gz FBRLCSDFIZNIRO-OLZOCXBDSA-N 1 0 314.389 3.226 20 5 DGBDRO Cc1nc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)o1 ZINC000538986426 435533670 /nfs/dbraw/zinc/53/36/70/435533670.db2.gz VWWYZALQNIRZRH-NSHDSACASA-N 1 0 303.362 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1 ZINC000515444414 435484400 /nfs/dbraw/zinc/48/44/00/435484400.db2.gz DKMOLSDZPCSDLQ-GOSISDBHSA-N 1 0 323.396 3.232 20 5 DGBDRO CC[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000483052461 435493535 /nfs/dbraw/zinc/49/35/35/435493535.db2.gz WEEQXTKNRUYQFM-CYBMUJFWSA-N 1 0 308.378 3.104 20 5 DGBDRO Cc1ccc2c(c1)CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000484008184 435537791 /nfs/dbraw/zinc/53/77/91/435537791.db2.gz QABQZZJAGAJLQL-UHFFFAOYSA-N 1 0 312.369 3.340 20 5 DGBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000488333121 435637064 /nfs/dbraw/zinc/63/70/64/435637064.db2.gz CMPDZNSFBVDGBJ-AAEUAGOBSA-N 1 0 319.405 3.029 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488716231 435641019 /nfs/dbraw/zinc/64/10/19/435641019.db2.gz QEITZKWHQZICOE-LBPRGKRZSA-N 1 0 321.396 3.353 20 5 DGBDRO CO[C@@H]1CCC[C@@H]1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000541191014 435641772 /nfs/dbraw/zinc/64/17/72/435641772.db2.gz ZSINFXBNRZFJQO-SJKOYZFVSA-N 1 0 315.373 3.100 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000570939810 435663729 /nfs/dbraw/zinc/66/37/29/435663729.db2.gz MOJXEICRBUZXEG-UHFFFAOYSA-N 1 0 307.394 3.352 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+]([C@@H]3CCCC[C@H]3O)C2)cc1 ZINC000570670065 435639793 /nfs/dbraw/zinc/63/97/93/435639793.db2.gz DTGWJVHCJIPKHQ-DJIMGWMZSA-N 1 0 304.390 3.078 20 5 DGBDRO CC(C)C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N(C)C ZINC000571225187 435688156 /nfs/dbraw/zinc/68/81/56/435688156.db2.gz VSTZGLRUAQBCOI-XJKSGUPXSA-N 1 0 305.422 3.148 20 5 DGBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])OCC1CC1 ZINC000571344527 435699278 /nfs/dbraw/zinc/69/92/78/435699278.db2.gz JYXSOAFLPHULEB-HNNXBMFYSA-N 1 0 304.390 3.377 20 5 DGBDRO CC1(C)SC[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000549237402 435752292 /nfs/dbraw/zinc/75/22/92/435752292.db2.gz OQSDXWAPCSDJIW-ZFWWWQNUSA-N 1 0 306.431 3.400 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCC(C)CC1 ZINC000571536371 435713693 /nfs/dbraw/zinc/71/36/93/435713693.db2.gz FXQHLJNWSCOADV-WMLDXEAASA-N 1 0 317.433 3.292 20 5 DGBDRO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCC[C@@H]21 ZINC000550063520 435791975 /nfs/dbraw/zinc/79/19/75/435791975.db2.gz NRCSGZNHMVGYAB-WFASDCNBSA-N 1 0 314.389 3.482 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000550896189 435812357 /nfs/dbraw/zinc/81/23/57/435812357.db2.gz XISIAXARVKTHSQ-CJNGLKHVSA-N 1 0 306.406 3.434 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000182739015 301868804 /nfs/dbraw/zinc/86/88/04/301868804.db2.gz NBBQQSAEMFXABE-HOCLYGCPSA-N 1 0 303.406 3.134 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173366075 312756105 /nfs/dbraw/zinc/75/61/05/312756105.db2.gz ZPSQTAPJGFUESI-LLVKDONJSA-N 1 0 317.320 3.023 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173365738 312756225 /nfs/dbraw/zinc/75/62/25/312756225.db2.gz FOCFCTFNLUMHKG-LLVKDONJSA-N 1 0 317.320 3.023 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(Cl)cc3)CCC2)c1 ZINC000174847570 312766374 /nfs/dbraw/zinc/76/63/74/312766374.db2.gz XIQYKDUNUHZNEE-UHFFFAOYSA-N 1 0 320.780 3.114 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000530690620 313396627 /nfs/dbraw/zinc/39/66/27/313396627.db2.gz JGTCOGSHGKCRGZ-KWCYVHTRSA-N 1 0 319.405 3.399 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000532551391 313561586 /nfs/dbraw/zinc/56/15/86/313561586.db2.gz ALEVFIGBPFXJTG-SOUVJXGZSA-N 1 0 305.422 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3ccc(F)cc3)CC2)cc1 ZINC000533526855 313625882 /nfs/dbraw/zinc/62/58/82/313625882.db2.gz FCGPJEZQWCZNMK-UHFFFAOYSA-N 1 0 316.332 3.392 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000537963416 313842251 /nfs/dbraw/zinc/84/22/51/313842251.db2.gz KOYPVLIPSLZEDF-MUIFIZLQSA-N 1 0 318.417 3.463 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)C1CCCCC1 ZINC000539086730 313899429 /nfs/dbraw/zinc/89/94/29/313899429.db2.gz KIDDOEWAJMVRFO-GUYCJALGSA-N 1 0 306.406 3.495 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000547738736 314390900 /nfs/dbraw/zinc/39/09/00/314390900.db2.gz PRFDHUONWGJPES-IAGOWNOFSA-N 1 0 318.417 3.465 20 5 DGBDRO CC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000562998755 315068741 /nfs/dbraw/zinc/06/87/41/315068741.db2.gz DHPAOJPLHKJKSD-UHFFFAOYSA-N 1 0 305.378 3.093 20 5 DGBDRO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000563257832 315095950 /nfs/dbraw/zinc/09/59/50/315095950.db2.gz NUMYKVFMJAUGGT-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO CC(C)[NH2+]CCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000564649619 315188623 /nfs/dbraw/zinc/18/86/23/315188623.db2.gz CYFXWRIKJMCNRS-MRXNPFEDSA-N 1 0 305.422 3.295 20 5 DGBDRO CC(C)C[C@H](CCO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217759 315242686 /nfs/dbraw/zinc/24/26/86/315242686.db2.gz MYKQCROJFPDGQX-BBRMVZONSA-N 1 0 306.406 3.216 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccc2c(c1)CCO2 ZINC000565217543 315242788 /nfs/dbraw/zinc/24/27/88/315242788.db2.gz MDHWQQJJCFZKSN-KRWDZBQOSA-N 1 0 324.380 3.349 20 5 DGBDRO COCC1(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000565218485 315243595 /nfs/dbraw/zinc/24/35/95/315243595.db2.gz OJEPBMJWGXKVCA-OAHLLOKOSA-N 1 0 304.390 3.379 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c[nH]nc1C(C)(C)C ZINC000566705340 315368493 /nfs/dbraw/zinc/36/84/93/315368493.db2.gz GAUUQKHAOWUXGN-UHFFFAOYSA-N 1 0 316.405 3.290 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2CCSCC2)n1 ZINC000567117310 315397625 /nfs/dbraw/zinc/39/76/25/315397625.db2.gz QTUYACPJJBXHPL-KGLIPLIRSA-N 1 0 324.450 3.008 20 5 DGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCCC[NH+](C)C ZINC000568805473 315537572 /nfs/dbraw/zinc/53/75/72/315537572.db2.gz DVYQAKCTESOAHT-UHFFFAOYSA-N 1 0 321.421 3.064 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000570985975 315689237 /nfs/dbraw/zinc/68/92/37/315689237.db2.gz WZVRWAFPUBTELB-CJNGLKHVSA-N 1 0 310.353 3.175 20 5 DGBDRO C[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000573677951 315889840 /nfs/dbraw/zinc/88/98/40/315889840.db2.gz AGQOKCCQHBBQCU-KGLIPLIRSA-N 1 0 319.405 3.482 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1COc1cccc(C[NH3+])c1 ZINC000576627882 316150123 /nfs/dbraw/zinc/15/01/23/316150123.db2.gz HERFMAKQCPLZHE-UHFFFAOYSA-N 1 0 316.357 3.420 20 5 DGBDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000576983668 316189251 /nfs/dbraw/zinc/18/92/51/316189251.db2.gz XEYKNTYUGRHEQJ-BBRMVZONSA-N 1 0 317.389 3.188 20 5 DGBDRO CC[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000577457162 316237110 /nfs/dbraw/zinc/23/71/10/316237110.db2.gz DIFOVFVMBOFLQM-QAPCUYQASA-N 1 0 317.433 3.436 20 5 DGBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000180005989 323219708 /nfs/dbraw/zinc/21/97/08/323219708.db2.gz BHRIAVLNFCEFHP-INIZCTEOSA-N 1 0 316.405 3.137 20 5 DGBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000182420386 323298501 /nfs/dbraw/zinc/29/85/01/323298501.db2.gz HRNXOUWYPKXHIU-OAHLLOKOSA-N 1 0 303.362 3.483 20 5 DGBDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183079198 323323715 /nfs/dbraw/zinc/32/37/15/323323715.db2.gz SJRCVUKBUYXXGW-ZJUUUORDSA-N 1 0 313.785 3.211 20 5 DGBDRO CCOc1cccc(NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000183135107 323326903 /nfs/dbraw/zinc/32/69/03/323326903.db2.gz LPVKELPODWKOLO-CYBMUJFWSA-N 1 0 319.361 3.301 20 5 DGBDRO Cc1ccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000583499587 324361791 /nfs/dbraw/zinc/36/17/91/324361791.db2.gz PITMMPUNGTYKSK-CVEARBPZSA-N 1 0 303.406 3.010 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000584539683 337359380 /nfs/dbraw/zinc/35/93/80/337359380.db2.gz ALHGGZQUULJHIQ-QGZVFWFLSA-N 1 0 315.417 3.046 20 5 DGBDRO Cc1ccc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430119374 533933929 /nfs/dbraw/zinc/93/39/29/533933929.db2.gz GFVBRQYYOMIYPK-JLJPHGGASA-N 1 0 317.433 3.065 20 5 DGBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000296733321 534143828 /nfs/dbraw/zinc/14/38/28/534143828.db2.gz ODSQHZRNPNLOBE-JTQLQIEISA-N 1 0 320.370 3.294 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+](C)Cc2ccccc2)n1 ZINC000303379146 534328372 /nfs/dbraw/zinc/32/83/72/534328372.db2.gz ROOUJIHZDZILAL-UHFFFAOYSA-N 1 0 314.389 3.232 20 5 DGBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cc2ccccc2c2cccnc12 ZINC000444263149 534427475 /nfs/dbraw/zinc/42/74/75/534427475.db2.gz CXDSYUGYPVUDHU-OAHLLOKOSA-N 1 0 319.408 3.260 20 5 DGBDRO Cc1cccc(CCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000294532081 534691048 /nfs/dbraw/zinc/69/10/48/534691048.db2.gz ZYCAFKBJSVUVNO-CYBMUJFWSA-N 1 0 314.389 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(NC3CC[NH+](C4CC4)CC3)c2c1 ZINC000413042517 534884731 /nfs/dbraw/zinc/88/47/31/534884731.db2.gz MADQVCIRKHIIQD-UHFFFAOYSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000156684224 525893680 /nfs/dbraw/zinc/89/36/80/525893680.db2.gz MFFFKMPVPWPOKG-DZGCQCFKSA-N 1 0 305.422 3.286 20 5 DGBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc2ccccc2c2cccnc12 ZINC000237995721 526597874 /nfs/dbraw/zinc/59/78/74/526597874.db2.gz ABKNGZQKBRDHDJ-AWEZNQCLSA-N 1 0 319.408 3.117 20 5 DGBDRO CC(=O)c1ccc(NCC[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443944836 527316496 /nfs/dbraw/zinc/31/64/96/527316496.db2.gz ILDBHQHGGWJXLB-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CC(C)[C@H](O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433269179 527729759 /nfs/dbraw/zinc/72/97/59/527729759.db2.gz HQGNQQBZNWOCLP-HZPDHXFCSA-N 1 0 306.406 3.314 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443967901 528168101 /nfs/dbraw/zinc/16/81/01/528168101.db2.gz ZZFPOEZGECDHAA-GFCCVEGCSA-N 1 0 322.409 3.063 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413085687 528179587 /nfs/dbraw/zinc/17/95/87/528179587.db2.gz QCXRONWVDUYHMZ-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO CCOc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])ccc1O ZINC000297351962 528277071 /nfs/dbraw/zinc/27/70/71/528277071.db2.gz FGFNDNHLSMOHRL-UHFFFAOYSA-N 1 0 316.357 3.031 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413160421 528292034 /nfs/dbraw/zinc/29/20/34/528292034.db2.gz AGPCACAVRRBNDG-HNNXBMFYSA-N 1 0 314.389 3.064 20 5 DGBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000441285277 528574512 /nfs/dbraw/zinc/57/45/12/528574512.db2.gz LPWKKSILHSHNGQ-CYBMUJFWSA-N 1 0 310.394 3.349 20 5 DGBDRO CC(C)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444688001 528668330 /nfs/dbraw/zinc/66/83/30/528668330.db2.gz IFFBPRBEDKBTFP-GFCCVEGCSA-N 1 0 302.378 3.339 20 5 DGBDRO CC[NH+]1CCC(Nc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000317696037 528988310 /nfs/dbraw/zinc/98/83/10/528988310.db2.gz NYFUCSKACLUFGY-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302178414 528988672 /nfs/dbraw/zinc/98/86/72/528988672.db2.gz YDDVBMDQYBVUEJ-UHFFFAOYSA-N 1 0 315.320 3.092 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000315263804 529019721 /nfs/dbraw/zinc/01/97/21/529019721.db2.gz DVZFVEUZDBOMIF-RHSMWYFYSA-N 1 0 303.406 3.262 20 5 DGBDRO CC[N@@H+]1CCC[C@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000317247595 529106857 /nfs/dbraw/zinc/10/68/57/529106857.db2.gz JYJDPQBUBNLJNZ-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000421868913 529233399 /nfs/dbraw/zinc/23/33/99/529233399.db2.gz CXLYDMWMOUBCRK-IAGOWNOFSA-N 1 0 300.358 3.045 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000429772106 529234898 /nfs/dbraw/zinc/23/48/98/529234898.db2.gz IWSHMEOAZCQZJI-XJKSGUPXSA-N 1 0 319.405 3.400 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429785924 529322206 /nfs/dbraw/zinc/32/22/06/529322206.db2.gz LFDOZNAMLBGMMK-JHJVBQTASA-N 1 0 305.378 3.090 20 5 DGBDRO CCCCC[N@H+](CCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470175477 535041995 /nfs/dbraw/zinc/04/19/95/535041995.db2.gz QQPIDBVLMBTGKK-NTCAYCPXSA-N 1 0 306.406 3.483 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000451479354 535073080 /nfs/dbraw/zinc/07/30/80/535073080.db2.gz MRBWZPZYZBAIJR-VQISRLSMSA-N 1 0 308.353 3.027 20 5 DGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000449395600 535148862 /nfs/dbraw/zinc/14/88/62/535148862.db2.gz JENGWGGRJMBJMA-UHFFFAOYSA-N 1 0 303.337 3.196 20 5 DGBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000473532623 535223262 /nfs/dbraw/zinc/22/32/62/535223262.db2.gz MQJKZHODEZCITR-UHFFFAOYSA-N 1 0 321.421 3.180 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470175708 535678009 /nfs/dbraw/zinc/67/80/09/535678009.db2.gz RREJSTYIDIJCBV-OTMARIDSSA-N 1 0 317.433 3.414 20 5 DGBDRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449562311 536117299 /nfs/dbraw/zinc/11/72/99/536117299.db2.gz IYFBIKNVCOKSBD-ZIAGYGMSSA-N 1 0 316.405 3.483 20 5 DGBDRO CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000451551553 536750774 /nfs/dbraw/zinc/75/07/74/536750774.db2.gz WKTIDLSDQACJBT-CJNGLKHVSA-N 1 0 322.405 3.239 20 5 DGBDRO COc1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449534212 536861990 /nfs/dbraw/zinc/86/19/90/536861990.db2.gz GIFOKSZJRLONCI-WMLDXEAASA-N 1 0 302.374 3.224 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000449073652 536896831 /nfs/dbraw/zinc/89/68/31/536896831.db2.gz STYLYSRZDWARIA-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO Cc1c(C[NH2+]CCn2cnc3ccccc32)cccc1[N+](=O)[O-] ZINC000730570320 574532046 /nfs/dbraw/zinc/53/20/46/574532046.db2.gz HTEKWFVGNPXEOM-UHFFFAOYSA-N 1 0 310.357 3.043 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000730806438 574536244 /nfs/dbraw/zinc/53/62/44/574536244.db2.gz JNEOMNYUVBSZJI-CYBMUJFWSA-N 1 0 309.797 3.313 20 5 DGBDRO CO[C@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000733329970 574616578 /nfs/dbraw/zinc/61/65/78/574616578.db2.gz MTNANYOSYXWWCD-CYBMUJFWSA-N 1 0 320.311 3.385 20 5 DGBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000740870594 574944054 /nfs/dbraw/zinc/94/40/54/574944054.db2.gz FZOHFTGYDILELK-WFASDCNBSA-N 1 0 319.405 3.106 20 5 DGBDRO C[C@H]([NH2+][C@@H](CCO)c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000746049704 575428891 /nfs/dbraw/zinc/42/88/91/575428891.db2.gz WGKNGDSYDQJUAF-AAEUAGOBSA-N 1 0 306.387 3.431 20 5 DGBDRO CC(C)[NH+](CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000746390788 575449454 /nfs/dbraw/zinc/44/94/54/575449454.db2.gz GJYXAYZXVRORLK-UHFFFAOYSA-N 1 0 324.381 3.424 20 5 DGBDRO CC(C)(C)C[N@H+](CCCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746665194 575467695 /nfs/dbraw/zinc/46/76/95/575467695.db2.gz ADJSJYXTGHCULA-UHFFFAOYSA-N 1 0 314.813 3.479 20 5 DGBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747209989 575506067 /nfs/dbraw/zinc/50/60/67/575506067.db2.gz PYNGLSNWBIBIAW-NSHDSACASA-N 1 0 309.797 3.453 20 5 DGBDRO Cc1nn(C[N@@H+]2CC[C@@H](c3ccccc3C)C2)c(C)c1[N+](=O)[O-] ZINC000725777820 575911995 /nfs/dbraw/zinc/91/19/95/575911995.db2.gz HCQXMMMPYBBSQD-OAHLLOKOSA-N 1 0 314.389 3.164 20 5 DGBDRO Cc1ccc(OCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000917134508 620658009 /nfs/dbraw/zinc/65/80/09/620658009.db2.gz XFVSOIAKCRAHLY-UHFFFAOYSA-N 1 0 300.358 3.380 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000853015392 620660631 /nfs/dbraw/zinc/66/06/31/620660631.db2.gz ZVJHWIOGALCLRW-OAHLLOKOSA-N 1 0 311.332 3.112 20 5 DGBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000853121978 620671274 /nfs/dbraw/zinc/67/12/74/620671274.db2.gz JRLUMBRDQRNBPT-DYVFJYSZSA-N 1 0 306.406 3.434 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(OCc2cccc3c2CC[NH2+]C3)c1 ZINC000853135890 620672670 /nfs/dbraw/zinc/67/26/70/620672670.db2.gz MDUVLPSTGREQDZ-UHFFFAOYSA-N 1 0 318.760 3.473 20 5 DGBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000853133560 620672312 /nfs/dbraw/zinc/67/23/12/620672312.db2.gz KLHHZKDKOPUDFT-LBPRGKRZSA-N 1 0 320.311 3.196 20 5 DGBDRO COc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1C ZINC000853240016 620680832 /nfs/dbraw/zinc/68/08/32/620680832.db2.gz FIUXOQROEPDBFX-UHFFFAOYSA-N 1 0 321.421 3.222 20 5 DGBDRO CCN(CCC[NH+](C)C)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853522948 620705977 /nfs/dbraw/zinc/70/59/77/620705977.db2.gz RMAQNZGHYUHASP-UHFFFAOYSA-N 1 0 301.337 3.310 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000853764317 620735502 /nfs/dbraw/zinc/73/55/02/620735502.db2.gz SWGXKKHYJCAPKN-SNVBAGLBSA-N 1 0 320.418 3.489 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000891870813 617916225 /nfs/dbraw/zinc/91/62/25/617916225.db2.gz RUVYJTRZQSZLJN-CYBMUJFWSA-N 1 0 306.362 3.074 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000919721970 620763140 /nfs/dbraw/zinc/76/31/40/620763140.db2.gz IFBCTGXJOUFJFJ-CKEIUWERSA-N 1 0 303.406 3.436 20 5 DGBDRO C[C@@H](OC(=O)C12CCC[NH+](CCC1)C2)c1cccc([N+](=O)[O-])c1 ZINC000892615698 618119639 /nfs/dbraw/zinc/11/96/39/618119639.db2.gz PZCQWQBLRAUVTE-CYBMUJFWSA-N 1 0 318.373 3.075 20 5 DGBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783626930 618142625 /nfs/dbraw/zinc/14/26/25/618142625.db2.gz CRDFVZFPBGBJQU-YGRLFVJLSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840892483 618149431 /nfs/dbraw/zinc/14/94/31/618149431.db2.gz UIBBUYDCNTZDDG-GFCCVEGCSA-N 1 0 314.389 3.200 20 5 DGBDRO COc1c(O)ccc(C[NH+](C2CCC2)C2CCC2)c1[N+](=O)[O-] ZINC000894591067 618392274 /nfs/dbraw/zinc/39/22/74/618392274.db2.gz CHPSLVSTBZIGRL-UHFFFAOYSA-N 1 0 306.362 3.216 20 5 DGBDRO CCn1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000893093433 618421375 /nfs/dbraw/zinc/42/13/75/618421375.db2.gz YMTAKZOPPRCFCJ-UHFFFAOYSA-N 1 0 316.405 3.232 20 5 DGBDRO C[NH+](C)C1(C)CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000894850143 618476296 /nfs/dbraw/zinc/47/62/96/618476296.db2.gz SHBKZYROLOPUQX-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1n[nH]c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000894899923 618493625 /nfs/dbraw/zinc/49/36/25/618493625.db2.gz CNLIDYDIECLVEW-HNNXBMFYSA-N 1 0 314.389 3.314 20 5 DGBDRO CC1=NO[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000895311758 618593052 /nfs/dbraw/zinc/59/30/52/618593052.db2.gz QXSGWSQCZSHVMP-CYBMUJFWSA-N 1 0 315.329 3.109 20 5 DGBDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893597375 618613503 /nfs/dbraw/zinc/61/35/03/618613503.db2.gz JQTYSSBYUYXHRI-VIFPVBQESA-N 1 0 322.283 3.130 20 5 DGBDRO Cc1ccc(NC(=O)CCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000920758076 620821150 /nfs/dbraw/zinc/82/11/50/620821150.db2.gz NKUZJZOTQVQPNJ-UHFFFAOYSA-N 1 0 305.378 3.108 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3C[C@H]4CCC[C@@H]4C3)nc2c1 ZINC000894057005 618701698 /nfs/dbraw/zinc/70/16/98/618701698.db2.gz UENMFVZUVAUPGU-GHMZBOCLSA-N 1 0 300.362 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@]23CCCO3)cc1Cl ZINC000895678603 618815075 /nfs/dbraw/zinc/81/50/75/618815075.db2.gz ABSSMQPRSTUXRN-CABCVRRESA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846705 618841084 /nfs/dbraw/zinc/84/10/84/618841084.db2.gz WSKHIURUFAOLMP-WMLDXEAASA-N 1 0 304.390 3.213 20 5 DGBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(OC)n1 ZINC000925151122 619052884 /nfs/dbraw/zinc/05/28/84/619052884.db2.gz ABDKEMUSTGWUFL-AWEZNQCLSA-N 1 0 315.373 3.282 20 5 DGBDRO CCON1CCC([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000925231067 619087158 /nfs/dbraw/zinc/08/71/58/619087158.db2.gz RJZDLBCOKZXETL-INIZCTEOSA-N 1 0 307.394 3.051 20 5 DGBDRO C[C@H](C[NH2+]Cc1cnn(C)c1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897459938 619129945 /nfs/dbraw/zinc/12/99/45/619129945.db2.gz PMKQSGLFUGTRMC-GFCCVEGCSA-N 1 0 314.389 3.099 20 5 DGBDRO C[C@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC000897460184 619130152 /nfs/dbraw/zinc/13/01/52/619130152.db2.gz QZIYDQRYECMMOK-GXZXJKLZSA-N 1 0 304.390 3.246 20 5 DGBDRO C[C@@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC000897460186 619130179 /nfs/dbraw/zinc/13/01/79/619130179.db2.gz QZIYDQRYECMMOK-WIJYIZELSA-N 1 0 304.390 3.246 20 5 DGBDRO C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000897461277 619130370 /nfs/dbraw/zinc/13/03/70/619130370.db2.gz ZDDPSYZWPGBAIU-QCPWZWHMSA-N 1 0 316.401 3.246 20 5 DGBDRO Cc1ccc2nc(C[NH2+]C[C@@H](C)c3ccccc3[N+](=O)[O-])cn2c1 ZINC000897464321 619130558 /nfs/dbraw/zinc/13/05/58/619130558.db2.gz LAYODSMSQIWQDR-CQSZACIVSA-N 1 0 324.384 3.444 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897464604 619130614 /nfs/dbraw/zinc/13/06/14/619130614.db2.gz MVDPOOILLOIEJS-KBPBESRZSA-N 1 0 304.390 3.390 20 5 DGBDRO C[C@H](C[NH2+]Cc1cnc(C2CC2)nc1)c1ccccc1[N+](=O)[O-] ZINC000897463261 619130628 /nfs/dbraw/zinc/13/06/28/619130628.db2.gz DKUHCKILADZTSH-GFCCVEGCSA-N 1 0 312.373 3.156 20 5 DGBDRO CC(C)n1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000897469724 619131798 /nfs/dbraw/zinc/13/17/98/619131798.db2.gz PIJKDFPVGWIIEB-CYBMUJFWSA-N 1 0 302.378 3.266 20 5 DGBDRO Cc1ccc(-c2noc([C@@H]3CCC[N@H+]3C(C)C)n2)cc1[N+](=O)[O-] ZINC000923821707 619149473 /nfs/dbraw/zinc/14/94/73/619149473.db2.gz RBKAJYMIRIKNIX-ZDUSSCGKSA-N 1 0 316.361 3.499 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897955200 619198613 /nfs/dbraw/zinc/19/86/13/619198613.db2.gz QOOYTBOCPLCUDG-NOXHYTERSA-N 1 0 317.389 3.090 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897955991 619198664 /nfs/dbraw/zinc/19/86/64/619198664.db2.gz ZXHSDJDDZPJKCH-NOXHYTERSA-N 1 0 317.389 3.090 20 5 DGBDRO Cc1ncccc1CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000898253819 619228727 /nfs/dbraw/zinc/22/87/27/619228727.db2.gz WAMFOEUOAQKYCB-AWEZNQCLSA-N 1 0 313.401 3.452 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cccnc1C ZINC000898257473 619233147 /nfs/dbraw/zinc/23/31/47/619233147.db2.gz WMBUDDNXLSVDQM-UHFFFAOYSA-N 1 0 315.373 3.029 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cn(C2CC2)cn1)c1ccccc1[N+](=O)[O-] ZINC000902672230 619661794 /nfs/dbraw/zinc/66/17/94/619661794.db2.gz SCDKVUCBBOLZPA-LBPRGKRZSA-N 1 0 300.362 3.020 20 5 DGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc2C1 ZINC000902853481 619685502 /nfs/dbraw/zinc/68/55/02/619685502.db2.gz OBGUWWXBUHUMMY-XJKSGUPXSA-N 1 0 312.369 3.324 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2cccnc2)cc([N+](=O)[O-])c1 ZINC000903058814 619707638 /nfs/dbraw/zinc/70/76/38/619707638.db2.gz UGDNIEVDACUCPE-NEPJUHHUSA-N 1 0 301.346 3.410 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903114022 619720356 /nfs/dbraw/zinc/72/03/56/619720356.db2.gz SDXCMZYSJXLLQP-FRRDWIJNSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)cc([N+](=O)[O-])c1 ZINC000903157630 619727117 /nfs/dbraw/zinc/72/71/17/619727117.db2.gz KMGHUGMUQDIQDA-ABAIWWIYSA-N 1 0 310.394 3.050 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCOC12CCCC2 ZINC000903148078 619728875 /nfs/dbraw/zinc/72/88/75/619728875.db2.gz VVLGAYFHSSLODB-HNNXBMFYSA-N 1 0 324.808 3.482 20 5 DGBDRO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903177231 619730581 /nfs/dbraw/zinc/73/05/81/619730581.db2.gz IXXBMNVLDNUTTR-BINIMTDWSA-N 1 0 315.417 3.403 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCCOC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903200472 619735594 /nfs/dbraw/zinc/73/55/94/619735594.db2.gz POVHTHOCNDEYTB-GFCCVEGCSA-N 1 0 310.394 3.459 20 5 DGBDRO Cc1c([C@H](C)NCc2cc(N(C)C)cc[nH+]2)cccc1[N+](=O)[O-] ZINC000903201766 619736144 /nfs/dbraw/zinc/73/61/44/619736144.db2.gz MUGGBOKDNHBRCS-ZDUSSCGKSA-N 1 0 314.389 3.215 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903224584 619737695 /nfs/dbraw/zinc/73/76/95/619737695.db2.gz YRKUEHIQXOIKDA-GMOODISLSA-N 1 0 318.295 3.452 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CCCCO2)cc([N+](=O)[O-])c1 ZINC000903224799 619737801 /nfs/dbraw/zinc/73/78/01/619737801.db2.gz ASTMCOZCYGAFFT-MLGOLLRUSA-N 1 0 308.378 3.213 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903211292 619739345 /nfs/dbraw/zinc/73/93/45/619739345.db2.gz FTKCTIVSAZTRFY-NZXMKCKXSA-N 1 0 304.268 3.205 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)cc([N+](=O)[O-])c1 ZINC000903220490 619740998 /nfs/dbraw/zinc/74/09/98/619740998.db2.gz MCQXRCBRUTWXJM-VUCTXSBTSA-N 1 0 320.389 3.356 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000903244827 619743176 /nfs/dbraw/zinc/74/31/76/619743176.db2.gz DYWADXJSWQPIRA-SIIHOXLZSA-N 1 0 318.417 3.493 20 5 DGBDRO C[C@H](C[NH2+][C@H](C1CC1)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000903244862 619743328 /nfs/dbraw/zinc/74/33/28/619743328.db2.gz FSIVODWTOHHAPN-FZKQIMNGSA-N 1 0 318.417 3.493 20 5 DGBDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000903244926 619743587 /nfs/dbraw/zinc/74/35/87/619743587.db2.gz GODQWBODZHJULW-QWHCGFSZSA-N 1 0 317.393 3.222 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000903245842 619743700 /nfs/dbraw/zinc/74/37/00/619743700.db2.gz OSNZJFDYPJVLPX-LZWOXQAQSA-N 1 0 306.406 3.493 20 5 DGBDRO COc1ccnc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000903245208 619743765 /nfs/dbraw/zinc/74/37/65/619743765.db2.gz KDZPEGOYDFSBTG-QWHCGFSZSA-N 1 0 315.373 3.453 20 5 DGBDRO Cc1ncncc1[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245232 619743775 /nfs/dbraw/zinc/74/37/75/619743775.db2.gz KRXCWAUWZPITHW-NWDGAFQWSA-N 1 0 300.362 3.148 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C2([C@H]3CCCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000903228171 619744017 /nfs/dbraw/zinc/74/40/17/619744017.db2.gz QEHRFQWFZRJEIG-BLLLJJGKSA-N 1 0 320.389 3.356 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903262296 619747103 /nfs/dbraw/zinc/74/71/03/619747103.db2.gz CMHRBFXNLOEESV-DCGLDWPTSA-N 1 0 324.396 3.196 20 5 DGBDRO COC(=O)CC1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903287929 619754484 /nfs/dbraw/zinc/75/44/84/619754484.db2.gz TXOXUGOQHVSXIT-DNOWBOINSA-N 1 0 320.389 3.367 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CO)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000903289744 619755028 /nfs/dbraw/zinc/75/50/28/619755028.db2.gz NVLYDSLNZAYZMX-RHSMWYFYSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903323303 619756002 /nfs/dbraw/zinc/75/60/02/619756002.db2.gz IWUHIHUZBIUIBV-FFLHNBHYSA-N 1 0 319.405 3.175 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1cncs1 ZINC000903306205 619756512 /nfs/dbraw/zinc/75/65/12/619756512.db2.gz VXKZGJOANLRPBA-ZJUUUORDSA-N 1 0 309.366 3.472 20 5 DGBDRO CO[C@]1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCSC1 ZINC000903311250 619757615 /nfs/dbraw/zinc/75/76/15/619757615.db2.gz QYKRVPAJVXAARE-BBRMVZONSA-N 1 0 324.446 3.028 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cccc1[N+](=O)[O-] ZINC000903441174 619775948 /nfs/dbraw/zinc/77/59/48/619775948.db2.gz YLFWRAYTCQLOOV-XHBKTUGNSA-N 1 0 312.369 3.212 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903483029 619781271 /nfs/dbraw/zinc/78/12/71/619781271.db2.gz BHXFWDRQNFMTPQ-CQSZACIVSA-N 1 0 309.797 3.013 20 5 DGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCC[NH2+]C1 ZINC000903718172 619802978 /nfs/dbraw/zinc/80/29/78/619802978.db2.gz HSLXPBFMBZKWGE-LBPRGKRZSA-N 1 0 311.813 3.070 20 5 DGBDRO C[NH2+][C@@H](CC(C)C)c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000904098122 619874890 /nfs/dbraw/zinc/87/48/90/619874890.db2.gz OMDLQCMMDFTUHL-ZDUSSCGKSA-N 1 0 318.377 3.184 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000905645302 620016319 /nfs/dbraw/zinc/01/63/19/620016319.db2.gz WBEFWAAGKAIRPO-KDOFPFPSSA-N 1 0 314.385 3.330 20 5 DGBDRO CC(C)N(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000905852854 620037729 /nfs/dbraw/zinc/03/77/29/620037729.db2.gz NOPGYFHPBABEJE-ZIAGYGMSSA-N 1 0 321.421 3.279 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)CC[NH2+]C(C)(C)C ZINC000906108207 620058409 /nfs/dbraw/zinc/05/84/09/620058409.db2.gz KNEWDAHJQRTQET-UHFFFAOYSA-N 1 0 308.378 3.033 20 5 DGBDRO CC(=O)c1ccc(OCC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000906504076 620103497 /nfs/dbraw/zinc/10/34/97/620103497.db2.gz UYDXOJMDKTXDDK-CQSZACIVSA-N 1 0 306.362 3.051 20 5 DGBDRO C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000907220026 620144135 /nfs/dbraw/zinc/14/41/35/620144135.db2.gz DGFAQPSVNAKTGY-ZDUSSCGKSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908268957 620197463 /nfs/dbraw/zinc/19/74/63/620197463.db2.gz RYPLFHNXGDAIMI-DZGCQCFKSA-N 1 0 317.389 3.167 20 5 DGBDRO O=C(C[NH2+]Cc1c2ccccc2cc2ccccc21)NC1CC1 ZINC000915226502 620574577 /nfs/dbraw/zinc/57/45/77/620574577.db2.gz OUSFZTCGXCVNTD-UHFFFAOYSA-N 1 0 304.393 3.361 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000921552929 620907592 /nfs/dbraw/zinc/90/75/92/620907592.db2.gz OIIHYYADYXBFJQ-GFCCVEGCSA-N 1 0 300.362 3.367 20 5 DGBDRO CC(C)Cn1nccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922537180 621052169 /nfs/dbraw/zinc/05/21/69/621052169.db2.gz AGQIZQZSCYXFID-CYBMUJFWSA-N 1 0 302.378 3.298 20 5 DGBDRO COCCc1ncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000922540870 621053362 /nfs/dbraw/zinc/05/33/62/621053362.db2.gz MEUNFCPMESUFED-LLVKDONJSA-N 1 0 321.402 3.091 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000922697771 621084265 /nfs/dbraw/zinc/08/42/65/621084265.db2.gz VDKDLPSDUSFWRC-STQMWFEESA-N 1 0 318.295 3.184 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1[N+](=O)[O-] ZINC000922721749 621090340 /nfs/dbraw/zinc/09/03/40/621090340.db2.gz CONCATHFXBHKCM-XHSDSOJGSA-N 1 0 316.401 3.399 20 5 DGBDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000922864543 621110735 /nfs/dbraw/zinc/11/07/35/621110735.db2.gz DZMFHKBHAHKESI-GHMZBOCLSA-N 1 0 322.390 3.028 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000922897175 621128488 /nfs/dbraw/zinc/12/84/88/621128488.db2.gz MHUBBFONSGPUJO-HIBMMOJTSA-N 1 0 316.401 3.403 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3ccc(Cl)nc32)c1 ZINC000857906841 621130010 /nfs/dbraw/zinc/13/00/10/621130010.db2.gz INZXRFZKBLJMEP-CQSZACIVSA-N 1 0 317.776 3.463 20 5 DGBDRO Cn1nc(CNC/C=C\c2ccccc2[N+](=O)[O-])cc1C1CC1 ZINC000922954611 621136821 /nfs/dbraw/zinc/13/68/21/621136821.db2.gz KYZARNGVAWCJKG-XQRVVYSFSA-N 1 0 312.373 3.009 20 5 DGBDRO O[C@H]1CCN(CC[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000858338661 621178057 /nfs/dbraw/zinc/17/80/57/621178057.db2.gz JTEYFZMNMXWYCM-SFHVURJKSA-N 1 0 320.436 3.149 20 5 DGBDRO C[N@@H+]1CCCC[C@H](CNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000858715660 621216064 /nfs/dbraw/zinc/21/60/64/621216064.db2.gz RBGCHMZFNSEZAT-LLVKDONJSA-N 1 0 320.418 3.348 20 5 DGBDRO C/C=C\C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860182727 621378626 /nfs/dbraw/zinc/37/86/26/621378626.db2.gz BRJZIUBQKRAVMV-MKXCZPOJSA-N 1 0 304.390 3.306 20 5 DGBDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754171938 621493810 /nfs/dbraw/zinc/49/38/10/621493810.db2.gz XJBVFDUSTSGXGX-ZJUUUORDSA-N 1 0 313.785 3.211 20 5 DGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1csc2ccccc12 ZINC000754729432 621529033 /nfs/dbraw/zinc/52/90/33/621529033.db2.gz CQXCCQYYCHKGFV-NSHDSACASA-N 1 0 316.386 3.357 20 5 DGBDRO C[C@]1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCS1 ZINC000862212644 621562134 /nfs/dbraw/zinc/56/21/34/621562134.db2.gz UJQWBHATZJMQRX-MRXNPFEDSA-N 1 0 321.446 3.003 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCS3)CC2)cc1 ZINC000118949932 621591839 /nfs/dbraw/zinc/59/18/39/621591839.db2.gz ZGERCYDKOSJIQL-INIZCTEOSA-N 1 0 321.446 3.049 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000863330214 621663974 /nfs/dbraw/zinc/66/39/74/621663974.db2.gz KHECGLGJRIHVRI-UHFFFAOYSA-N 1 0 300.362 3.168 20 5 DGBDRO CC1(C)CCC[C@H]1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863560391 621683456 /nfs/dbraw/zinc/68/34/56/621683456.db2.gz HGOMXCRDNRASDV-HOCLYGCPSA-N 1 0 306.406 3.434 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1OC ZINC000759616132 621875894 /nfs/dbraw/zinc/87/58/94/621875894.db2.gz SUTMFWNLPKRXRL-HUUCEWRRSA-N 1 0 310.369 3.417 20 5 DGBDRO COc1ccc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000865747729 621987708 /nfs/dbraw/zinc/98/77/08/621987708.db2.gz WDUSFFDCANIDLT-HNNXBMFYSA-N 1 0 308.378 3.041 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000865760699 621990261 /nfs/dbraw/zinc/99/02/61/621990261.db2.gz FUOWGYOCNJJQTG-NVXWUHKLSA-N 1 0 304.390 3.198 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865778398 621993542 /nfs/dbraw/zinc/99/35/42/621993542.db2.gz JFZJZKWCIYFLGU-LLCTXKFZSA-N 1 0 316.401 3.404 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC23CCOCC3)c(F)c1 ZINC000865778472 621993554 /nfs/dbraw/zinc/99/35/54/621993554.db2.gz VAZIDOZMLNBDSX-ZDUSSCGKSA-N 1 0 308.353 3.030 20 5 DGBDRO Cc1nn(C[N@@H+]2CCCC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761289897 621999618 /nfs/dbraw/zinc/99/96/18/621999618.db2.gz CXCWVSIPLNKIKD-UHFFFAOYSA-N 1 0 302.378 3.332 20 5 DGBDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000865872560 622012631 /nfs/dbraw/zinc/01/26/31/622012631.db2.gz MGSMCGKJQLJSRB-STQMWFEESA-N 1 0 318.373 3.494 20 5 DGBDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000865872307 622012741 /nfs/dbraw/zinc/01/27/41/622012741.db2.gz KLQQAMVYXSRWOD-OCCSQVGLSA-N 1 0 318.373 3.494 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1Cl ZINC000761516112 622014208 /nfs/dbraw/zinc/01/42/08/622014208.db2.gz ZBOJYWVEZLAQPE-KBPBESRZSA-N 1 0 324.808 3.497 20 5 DGBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761532250 622015156 /nfs/dbraw/zinc/01/51/56/622015156.db2.gz CVUGVBQHQFAKKA-CQSZACIVSA-N 1 0 314.769 3.070 20 5 DGBDRO C[N@@H+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CCC1(C)C ZINC000866112663 622047433 /nfs/dbraw/zinc/04/74/33/622047433.db2.gz ICKSBVBSVPOCSJ-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO COc1cc(NC2CCC(C)([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000866148708 622055460 /nfs/dbraw/zinc/05/54/60/622055460.db2.gz PLIHWLKOOMBNNH-UHFFFAOYSA-N 1 0 307.394 3.278 20 5 DGBDRO Cc1nn(C[N@H+]2CC3(CCC3)C[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000762138875 622056436 /nfs/dbraw/zinc/05/64/36/622056436.db2.gz NNUYNAFXHURRMF-LBPRGKRZSA-N 1 0 314.389 3.475 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccnc1 ZINC000866214796 622067284 /nfs/dbraw/zinc/06/72/84/622067284.db2.gz GOWZCRQFHAEUPB-NEPJUHHUSA-N 1 0 303.337 3.411 20 5 DGBDRO Cc1nc(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000866226727 622070458 /nfs/dbraw/zinc/07/04/58/622070458.db2.gz RSKADPDMYIHIFT-SNVBAGLBSA-N 1 0 323.393 3.262 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccc(O)cc1 ZINC000866241803 622074541 /nfs/dbraw/zinc/07/45/41/622074541.db2.gz GEAKHVKWNNACOM-LBPRGKRZSA-N 1 0 318.348 3.203 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cccc(O)c1 ZINC000866253179 622077120 /nfs/dbraw/zinc/07/71/20/622077120.db2.gz XGDFJMCUIGYZOC-LLVKDONJSA-N 1 0 304.321 3.160 20 5 DGBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866259910 622078399 /nfs/dbraw/zinc/07/83/99/622078399.db2.gz QYHLXTLQTSYWQO-QWRGUYRKSA-N 1 0 320.368 3.058 20 5 DGBDRO COC1CCC(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866281339 622084408 /nfs/dbraw/zinc/08/44/08/622084408.db2.gz HHPXYMVUUJCRQP-VEAWUBTESA-N 1 0 324.396 3.460 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000866284811 622084670 /nfs/dbraw/zinc/08/46/70/622084670.db2.gz BCXNCJRTYAHPMB-MVQRFQBOSA-N 1 0 322.380 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000866288201 622085770 /nfs/dbraw/zinc/08/57/70/622085770.db2.gz DRLBFLMQFBBUGM-UPJWGTAASA-N 1 0 310.369 3.070 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cs1 ZINC000762615552 622086634 /nfs/dbraw/zinc/08/66/34/622086634.db2.gz OUORFFYYSDMDAI-JFGNBEQYSA-N 1 0 316.473 3.126 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(C)CCOCC1 ZINC000866305425 622089637 /nfs/dbraw/zinc/08/96/37/622089637.db2.gz QVWGLYHHVCBMCD-LBPRGKRZSA-N 1 0 310.369 3.071 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000866305287 622089719 /nfs/dbraw/zinc/08/97/19/622089719.db2.gz GCGQYUMQMKFFST-YGRLFVJLSA-N 1 0 318.352 3.055 20 5 DGBDRO Cc1nnc([C@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866338193 622096905 /nfs/dbraw/zinc/09/69/05/622096905.db2.gz PEZDSUQZUVUPSO-IUCAKERBSA-N 1 0 324.381 3.176 20 5 DGBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866354391 622101368 /nfs/dbraw/zinc/10/13/68/622101368.db2.gz ZYUBMQRYULEXSU-WPGHFRTFSA-N 1 0 310.369 3.212 20 5 DGBDRO CCc1nc(C)c(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000866363156 622103173 /nfs/dbraw/zinc/10/31/73/622103173.db2.gz JYJFGRHTQVEYQS-JTQLQIEISA-N 1 0 321.352 3.314 20 5 DGBDRO Cc1cc(C)c(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000866370572 622105019 /nfs/dbraw/zinc/10/50/19/622105019.db2.gz YERUWFQWLIWJEI-ZDUSSCGKSA-N 1 0 317.364 3.467 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000866376147 622105996 /nfs/dbraw/zinc/10/59/96/622105996.db2.gz SPSBKDBFIMZNNN-NMKXLXIOSA-N 1 0 310.369 3.068 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000866386136 622108359 /nfs/dbraw/zinc/10/83/59/622108359.db2.gz XSABJEQAZVDLPV-SWLSCSKDSA-N 1 0 323.412 3.127 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccccn1 ZINC000866387025 622108390 /nfs/dbraw/zinc/10/83/90/622108390.db2.gz KIUHZFZUVUYQKL-OLZOCXBDSA-N 1 0 317.364 3.281 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOC(C)(C)C ZINC000866388604 622108948 /nfs/dbraw/zinc/10/89/48/622108948.db2.gz DAPKJSOZJRWMSI-LBPRGKRZSA-N 1 0 312.385 3.460 20 5 DGBDRO Cc1ncc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000866456451 622121225 /nfs/dbraw/zinc/12/12/25/622121225.db2.gz ZCAHJHKOOWVCPX-BDAKNGLRSA-N 1 0 306.391 3.354 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000866527431 622131880 /nfs/dbraw/zinc/13/18/80/622131880.db2.gz IJPLWPARHSTBMG-HIFRSBDPSA-N 1 0 304.390 3.452 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000866527432 622131934 /nfs/dbraw/zinc/13/19/34/622131934.db2.gz IJPLWPARHSTBMG-UKRRQHHQSA-N 1 0 304.390 3.452 20 5 DGBDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000866540376 622134931 /nfs/dbraw/zinc/13/49/31/622134931.db2.gz MYRYCZFLTQQEQQ-ZDUSSCGKSA-N 1 0 322.405 3.361 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1cccc([N+](=O)[O-])c1 ZINC000866562370 622138751 /nfs/dbraw/zinc/13/87/51/622138751.db2.gz RPAVWIYYNPMLMX-FZKQIMNGSA-N 1 0 311.385 3.432 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000866615017 622147771 /nfs/dbraw/zinc/14/77/71/622147771.db2.gz SBQNPOCHOCTATG-NHYWBVRUSA-N 1 0 300.362 3.057 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000866634185 622150829 /nfs/dbraw/zinc/15/08/29/622150829.db2.gz BUSNEVDHLSZKKJ-MBNYWOFBSA-N 1 0 310.394 3.194 20 5 DGBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000866635630 622151227 /nfs/dbraw/zinc/15/12/27/622151227.db2.gz RUWCZQFNSOMZRB-DAXOMENPSA-N 1 0 306.406 3.055 20 5 DGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000866635636 622151422 /nfs/dbraw/zinc/15/14/22/622151422.db2.gz RUWCZQFNSOMZRB-MAZHCROVSA-N 1 0 306.406 3.055 20 5 DGBDRO CCCN(CC[NH+](CC)CC)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000763551285 622151703 /nfs/dbraw/zinc/15/17/03/622151703.db2.gz LRCRGBVLTQAUNJ-UHFFFAOYSA-N 1 0 321.421 3.356 20 5 DGBDRO CC[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764883281 622229787 /nfs/dbraw/zinc/22/97/87/622229787.db2.gz CZYPYDRNQVDKLP-CYBMUJFWSA-N 1 0 302.378 3.332 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1C ZINC000765635915 622278941 /nfs/dbraw/zinc/27/89/41/622278941.db2.gz NWLGHJAXZCKPJW-QWRGUYRKSA-N 1 0 320.418 3.123 20 5 DGBDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848973 622291207 /nfs/dbraw/zinc/29/12/07/622291207.db2.gz MNEMGHHPTBSSNI-NXOUGTEYSA-N 1 0 312.369 3.151 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000766375321 622325115 /nfs/dbraw/zinc/32/51/15/622325115.db2.gz UGMNKJBTEZJSMI-RYUDHWBXSA-N 1 0 302.378 3.188 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000766376339 622325376 /nfs/dbraw/zinc/32/53/76/622325376.db2.gz ZMOAVYCHUGYWKX-NWDGAFQWSA-N 1 0 302.378 3.188 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccon1 ZINC000768104619 622438655 /nfs/dbraw/zinc/43/86/55/622438655.db2.gz BIDZIDYXTINSBD-NSHDSACASA-N 1 0 307.375 3.243 20 5 DGBDRO C[C@@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000870789912 622511492 /nfs/dbraw/zinc/51/14/92/622511492.db2.gz ZMTBAPHTNPBSBS-QWHCGFSZSA-N 1 0 306.362 3.015 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000123363304 622521371 /nfs/dbraw/zinc/52/13/71/622521371.db2.gz XSUURKXEECOPFI-NXEZZACHSA-N 1 0 311.769 3.060 20 5 DGBDRO CCc1noc(C)c1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000769875103 622570621 /nfs/dbraw/zinc/57/06/21/622570621.db2.gz SBVFAPVKFULHOH-NSHDSACASA-N 1 0 303.362 3.347 20 5 DGBDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872020902 622756062 /nfs/dbraw/zinc/75/60/62/622756062.db2.gz LAMJRXNRAGUBGC-LLVKDONJSA-N 1 0 306.341 3.049 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028113 622761109 /nfs/dbraw/zinc/76/11/09/622761109.db2.gz NVMDVAAYXXPBAG-ZUZCIYMTSA-N 1 0 322.311 3.257 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)CC(C)C ZINC000872029815 622762212 /nfs/dbraw/zinc/76/22/12/622762212.db2.gz TWNOJXSRPMINRX-YPMHNXCESA-N 1 0 312.435 3.374 20 5 DGBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872033639 622764957 /nfs/dbraw/zinc/76/49/57/622764957.db2.gz CWBHKEOCZUITIP-COPLHBTASA-N 1 0 312.435 3.374 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000872037670 622767433 /nfs/dbraw/zinc/76/74/33/622767433.db2.gz DOWYLZSLNPONGP-AGIUHOORSA-N 1 0 323.462 3.450 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872038372 622768037 /nfs/dbraw/zinc/76/80/37/622768037.db2.gz KUUHHAFYEYBYMN-HNNXBMFYSA-N 1 0 304.390 3.219 20 5 DGBDRO C[C@H]([NH2+]CCCNc1ccccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041811 622769612 /nfs/dbraw/zinc/76/96/12/622769612.db2.gz KZQNAYYYIPRAPO-LBPRGKRZSA-N 1 0 318.352 3.282 20 5 DGBDRO C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042050 622770551 /nfs/dbraw/zinc/77/05/51/622770551.db2.gz YYBZWGIDDBBFLL-RWMBFGLXSA-N 1 0 309.385 3.257 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000872046011 622772480 /nfs/dbraw/zinc/77/24/80/622772480.db2.gz UKAPPKQMRNXNIB-CQSZACIVSA-N 1 0 320.389 3.055 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000872048747 622774633 /nfs/dbraw/zinc/77/46/33/622774633.db2.gz LGPLXZGSWCHWJW-YGRLFVJLSA-N 1 0 310.419 3.128 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CCO)CC1 ZINC000872065224 622785947 /nfs/dbraw/zinc/78/59/47/622785947.db2.gz VZNAKEIEFNIKCX-LLVKDONJSA-N 1 0 310.419 3.130 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1CC(O)C1 ZINC000872066821 622786680 /nfs/dbraw/zinc/78/66/80/622786680.db2.gz RBBCQIATAGTZNN-ZBOXLXRLSA-N 1 0 310.419 3.128 20 5 DGBDRO CCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)COC1 ZINC000872075828 622790818 /nfs/dbraw/zinc/79/08/18/622790818.db2.gz GPMRHZKPHGRKPR-LLVKDONJSA-N 1 0 310.419 3.394 20 5 DGBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000771791802 622796559 /nfs/dbraw/zinc/79/65/59/622796559.db2.gz MYDWIWFJFRSQFE-GVDBMIGSSA-N 1 0 306.406 3.433 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2CCC3(CC3)CC2)cc1 ZINC000872223058 622860588 /nfs/dbraw/zinc/86/05/88/622860588.db2.gz MOSAZMPSYXNBLB-MRXNPFEDSA-N 1 0 304.390 3.188 20 5 DGBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000772739905 622934523 /nfs/dbraw/zinc/93/45/23/622934523.db2.gz FSBWFTATIYYYGF-MRXNPFEDSA-N 1 0 320.776 3.414 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCC3CC3)CC2)cc1 ZINC000773001830 622964358 /nfs/dbraw/zinc/96/43/58/622964358.db2.gz QHVZXVZAMQTZIE-UHFFFAOYSA-N 1 0 303.406 3.343 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](c2cccs2)N(C)C)cccc1[N+](=O)[O-] ZINC000873007744 623016017 /nfs/dbraw/zinc/01/60/17/623016017.db2.gz DKCRHIRBOTYQRP-OAHLLOKOSA-N 1 0 319.430 3.357 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000873013812 623017084 /nfs/dbraw/zinc/01/70/84/623017084.db2.gz ICPWWCICDPXBFA-UHFFFAOYSA-N 1 0 315.329 3.410 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873029931 623021206 /nfs/dbraw/zinc/02/12/06/623021206.db2.gz WCOGAKXOKLFHIG-OAHLLOKOSA-N 1 0 305.422 3.033 20 5 DGBDRO Cc1c(CNC[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000873044622 623025011 /nfs/dbraw/zinc/02/50/11/623025011.db2.gz SQZOQVKSOLKFBZ-OAHLLOKOSA-N 1 0 305.422 3.113 20 5 DGBDRO COC(=O)C1CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873047650 623025681 /nfs/dbraw/zinc/02/56/81/623025681.db2.gz YKDRSYYENAQSKJ-UHFFFAOYSA-N 1 0 320.389 3.033 20 5 DGBDRO Cc1noc(C)c1C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873057348 623027086 /nfs/dbraw/zinc/02/70/86/623027086.db2.gz QJVHIMMPGUCRDV-JTQLQIEISA-N 1 0 303.362 3.229 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000873107695 623036988 /nfs/dbraw/zinc/03/69/88/623036988.db2.gz PUDQJDYHIOTMFV-PBHICJAKSA-N 1 0 304.390 3.259 20 5 DGBDRO CO[C@@H](CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000873113358 623037710 /nfs/dbraw/zinc/03/77/10/623037710.db2.gz YXDRQGVIFNREKP-ZDUSSCGKSA-N 1 0 320.311 3.269 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000873132881 623044137 /nfs/dbraw/zinc/04/41/37/623044137.db2.gz JKMRNSNCBNOPEL-IRXDYDNUSA-N 1 0 304.390 3.341 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000873131095 623044220 /nfs/dbraw/zinc/04/42/20/623044220.db2.gz LNMGCCUJLUMQFE-CQSZACIVSA-N 1 0 304.390 3.342 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000873137286 623046460 /nfs/dbraw/zinc/04/64/60/623046460.db2.gz UIEKVCQYCCJZSE-AEFFLSMTSA-N 1 0 312.369 3.480 20 5 DGBDRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774213687 623120705 /nfs/dbraw/zinc/12/07/05/623120705.db2.gz QOKFYASEPDVCRR-REWJHTLYSA-N 1 0 324.450 3.149 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000774473478 623149807 /nfs/dbraw/zinc/14/98/07/623149807.db2.gz BXVJGDBQEPIDOK-DZGCQCFKSA-N 1 0 320.389 3.240 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774639258 623169298 /nfs/dbraw/zinc/16/92/98/623169298.db2.gz UYHFMAYOFRIYOJ-VHSXEESVSA-N 1 0 308.769 3.286 20 5 DGBDRO Cc1cccc(CN(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000774835999 623197435 /nfs/dbraw/zinc/19/74/35/623197435.db2.gz OJIOCBBTVMSFNN-UHFFFAOYSA-N 1 0 315.329 3.443 20 5 DGBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775061620 623224350 /nfs/dbraw/zinc/22/43/50/623224350.db2.gz YRISATXKKRWADK-LBPRGKRZSA-N 1 0 307.350 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000775870295 623344690 /nfs/dbraw/zinc/34/46/90/623344690.db2.gz CTDGQCOCIIKVER-SFHVURJKSA-N 1 0 324.380 3.176 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1Cl ZINC000776252949 623401440 /nfs/dbraw/zinc/40/14/40/623401440.db2.gz GUDCEMGYLFSLAO-KCPJHIHWSA-N 1 0 322.792 3.295 20 5 DGBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274402 623405354 /nfs/dbraw/zinc/40/53/54/623405354.db2.gz HJCLVGVBSYAAOL-YVEFUNNKSA-N 1 0 318.348 3.460 20 5 DGBDRO CC[N@@H+](Cc1ccccc1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276572 623406181 /nfs/dbraw/zinc/40/61/81/623406181.db2.gz KQNMQDANDGSWRQ-GOSISDBHSA-N 1 0 314.385 3.459 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC000776311454 623410722 /nfs/dbraw/zinc/41/07/22/623410722.db2.gz ZBQBNUJFXYWEHO-MEBBXXQBSA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582674 623442869 /nfs/dbraw/zinc/44/28/69/623442869.db2.gz SVUMKWATDXOBGN-FZKQIMNGSA-N 1 0 312.369 3.248 20 5 DGBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000776591242 623445364 /nfs/dbraw/zinc/44/53/64/623445364.db2.gz HZCDDFHBMDEETR-XWIAVFTESA-N 1 0 312.369 3.321 20 5 DGBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593120 623445379 /nfs/dbraw/zinc/44/53/79/623445379.db2.gz PDAZGSYXSDQFSZ-YVEFUNNKSA-N 1 0 316.357 3.027 20 5 DGBDRO CC(C)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000776604240 623446078 /nfs/dbraw/zinc/44/60/78/623446078.db2.gz AIRKEUYLNHOHGJ-INIZCTEOSA-N 1 0 318.348 3.292 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C1(C)CC1 ZINC000776883671 623473516 /nfs/dbraw/zinc/47/35/16/623473516.db2.gz PGRAALPMRIFCQR-NEPJUHHUSA-N 1 0 305.378 3.090 20 5 DGBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000777009922 623485641 /nfs/dbraw/zinc/48/56/41/623485641.db2.gz JMVMKVITTKZDFK-JOYOIKCWSA-N 1 0 306.284 3.131 20 5 DGBDRO CO[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000777013347 623485797 /nfs/dbraw/zinc/48/57/97/623485797.db2.gz USQVBISIKBBMTB-SKDRFNHKSA-N 1 0 306.284 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCc4ccccc43)CC2)cc1 ZINC000777401147 623520950 /nfs/dbraw/zinc/52/09/50/623520950.db2.gz LBHTTZLOJGGZPV-IBGZPJMESA-N 1 0 323.396 3.404 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777950127 623588962 /nfs/dbraw/zinc/58/89/62/623588962.db2.gz HCLUKHBRZUZAEA-CYBMUJFWSA-N 1 0 300.362 3.148 20 5 DGBDRO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000778245439 623631475 /nfs/dbraw/zinc/63/14/75/623631475.db2.gz LPEHYJWEUXMUHO-XHDPSFHLSA-N 1 0 312.797 3.231 20 5 DGBDRO CC[C@@H](C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000778613792 623676823 /nfs/dbraw/zinc/67/68/23/623676823.db2.gz IYFODXZFRAUBIG-OCCSQVGLSA-N 1 0 308.378 3.319 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCc4ccccc43)C2)c1 ZINC000876884577 623736540 /nfs/dbraw/zinc/73/65/40/623736540.db2.gz DUBFEIUVMPFSTF-MQBCKMQZSA-N 1 0 312.373 3.162 20 5 DGBDRO C[C@@H](Cc1ccco1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000876916917 623744186 /nfs/dbraw/zinc/74/41/86/623744186.db2.gz JGZUQBIGHIXVKU-JTQLQIEISA-N 1 0 301.302 3.050 20 5 DGBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877004785 623764478 /nfs/dbraw/zinc/76/44/78/623764478.db2.gz RODQJGPQNIDAJD-UWLZSVRSSA-N 1 0 306.410 3.443 20 5 DGBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877078745 623785909 /nfs/dbraw/zinc/78/59/09/623785909.db2.gz CAUAQOVPHGLRAO-FWIFWCIWSA-N 1 0 324.450 3.149 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](C)c1ccccc1 ZINC000877080705 623786598 /nfs/dbraw/zinc/78/65/98/623786598.db2.gz NCGWPRATTOZGLF-SQHUISNBSA-N 1 0 314.389 3.277 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCC3=CCCCCC3)C2)c1 ZINC000877380995 623864283 /nfs/dbraw/zinc/86/42/83/623864283.db2.gz XSVITSQFUYDVDD-UHFFFAOYSA-N 1 0 304.394 3.365 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCc2ncsc2C1 ZINC000877462614 623894145 /nfs/dbraw/zinc/89/41/45/623894145.db2.gz UINLZOWUFVUFRZ-UHFFFAOYSA-N 1 0 303.387 3.226 20 5 DGBDRO Cc1nccn1CCC[N@@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877527327 623924375 /nfs/dbraw/zinc/92/43/75/623924375.db2.gz KITWZRBPJCZNPF-UHFFFAOYSA-N 1 0 316.405 3.239 20 5 DGBDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877558330 623941542 /nfs/dbraw/zinc/94/15/42/623941542.db2.gz DCYAJHGXIHYUNB-LMRVLLHPSA-N 1 0 306.410 3.301 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@](C)(O)c1ccccc1 ZINC000877610962 623960795 /nfs/dbraw/zinc/96/07/95/623960795.db2.gz UKGXZKZFGLEBKO-KBXCAEBGSA-N 1 0 314.385 3.023 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCSC2)cc1Cl ZINC000877662728 623981959 /nfs/dbraw/zinc/98/19/59/623981959.db2.gz XICCCJOZPOTBRN-JTQLQIEISA-N 1 0 300.811 3.481 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000877753912 624019438 /nfs/dbraw/zinc/01/94/38/624019438.db2.gz OWMNCCMSOQIIDP-KAMYIIQDSA-N 1 0 318.417 3.481 20 5 DGBDRO C[C@@H]1CC[C@]2(CC[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000781585563 624097579 /nfs/dbraw/zinc/09/75/79/624097579.db2.gz NYZHZHZGGHFRDZ-DYVFJYSZSA-N 1 0 314.389 3.414 20 5 DGBDRO CC1(C)CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878047175 624148435 /nfs/dbraw/zinc/14/84/35/624148435.db2.gz CNFQYVMHZYPCLR-UHFFFAOYSA-N 1 0 302.334 3.019 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000878128582 624181078 /nfs/dbraw/zinc/18/10/78/624181078.db2.gz ANNXMTAESKLHBL-NEPJUHHUSA-N 1 0 316.361 3.265 20 5 DGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782502695 624257356 /nfs/dbraw/zinc/25/73/56/624257356.db2.gz FPCHKYIUKQOSDA-NEPJUHHUSA-N 1 0 323.368 3.183 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000783310277 624337389 /nfs/dbraw/zinc/33/73/89/624337389.db2.gz NGPBUIRRVOZADG-JKSUJKDBSA-N 1 0 302.374 3.198 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783626921 624376375 /nfs/dbraw/zinc/37/63/75/624376375.db2.gz CRDFVZFPBGBJQU-HZMBPMFUSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783638814 624378345 /nfs/dbraw/zinc/37/83/45/624378345.db2.gz OVGGIBGPUNWLJK-OAHLLOKOSA-N 1 0 320.776 3.380 20 5 DGBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000879696267 624642542 /nfs/dbraw/zinc/64/25/42/624642542.db2.gz AKBYKEMQGVBZLX-UHFFFAOYSA-N 1 0 310.394 3.023 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)C1CCOCC1 ZINC000785606436 624698113 /nfs/dbraw/zinc/69/81/13/624698113.db2.gz KECCXBPBRYYZCZ-UHFFFAOYSA-N 1 0 322.405 3.288 20 5 DGBDRO C[NH+](C)C1(CNc2ccc(N)cc2[N+](=O)[O-])CCCCCC1 ZINC000786573725 624922451 /nfs/dbraw/zinc/92/24/51/624922451.db2.gz DHXDIMSQAIMBGQ-UHFFFAOYSA-N 1 0 306.410 3.244 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CCCC1 ZINC000786576925 624924180 /nfs/dbraw/zinc/92/41/80/624924180.db2.gz WULKHGLXQQMFHA-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC(C)C)CC1 ZINC000786580414 624925161 /nfs/dbraw/zinc/92/51/61/624925161.db2.gz HFQWQWPEIBANKQ-UHFFFAOYSA-N 1 0 319.405 3.330 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)N1CCCCC1 ZINC000786811705 624955368 /nfs/dbraw/zinc/95/53/68/624955368.db2.gz LEPBZNFRMGYHLA-RBFDBLARSA-N 1 0 317.433 3.462 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CSCCS1 ZINC000786813617 624955877 /nfs/dbraw/zinc/95/58/77/624955877.db2.gz DOBYHNOYBASFJC-XCHKQJEOSA-N 1 0 324.471 3.436 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CSCCS1 ZINC000786813614 624955923 /nfs/dbraw/zinc/95/59/23/624955923.db2.gz DOBYHNOYBASFJC-CUXKMMBLSA-N 1 0 324.471 3.436 20 5 DGBDRO CCCN(CCC[NH+](C)C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000786827460 624956788 /nfs/dbraw/zinc/95/67/88/624956788.db2.gz NWURIKZISSHDDK-UHFFFAOYSA-N 1 0 301.337 3.041 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C)([NH+]2CCC2)CC1 ZINC000880472865 624964203 /nfs/dbraw/zinc/96/42/03/624964203.db2.gz GUSOKLIZBXDLNW-CQSZACIVSA-N 1 0 303.406 3.216 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C2(CCCCC2)C1 ZINC000788483154 625193822 /nfs/dbraw/zinc/19/38/22/625193822.db2.gz RXUUOMOPOXMONL-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000788535146 625209078 /nfs/dbraw/zinc/20/90/78/625209078.db2.gz CJAIKDXCLREORG-MSOLQXFVSA-N 1 0 314.385 3.443 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000788575687 625218218 /nfs/dbraw/zinc/21/82/18/625218218.db2.gz IQBAUFDYRMWMFP-HUUCEWRRSA-N 1 0 316.357 3.233 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000788575679 625218475 /nfs/dbraw/zinc/21/84/75/625218475.db2.gz IQBAUFDYRMWMFP-CABCVRRESA-N 1 0 316.357 3.233 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCOC2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000788595510 625223272 /nfs/dbraw/zinc/22/32/72/625223272.db2.gz DGWBUYUZUYXEGV-INIZCTEOSA-N 1 0 304.390 3.476 20 5 DGBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788666188 625238368 /nfs/dbraw/zinc/23/83/68/625238368.db2.gz QPMJSWBIIPVNIF-JDFRZJQESA-N 1 0 321.421 3.279 20 5 DGBDRO CCCN(CC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796380896 626044915 /nfs/dbraw/zinc/04/49/15/626044915.db2.gz SLCKQGWREOFALM-UHFFFAOYSA-N 1 0 309.385 3.042 20 5 DGBDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000796491640 626055633 /nfs/dbraw/zinc/05/56/33/626055633.db2.gz XBFJOIKTFMZSLX-CXAGYDPISA-N 1 0 300.358 3.115 20 5 DGBDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000796485928 626055869 /nfs/dbraw/zinc/05/58/69/626055869.db2.gz PCGVRICDIDYGJU-CXAGYDPISA-N 1 0 300.358 3.115 20 5 DGBDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000796492887 626056109 /nfs/dbraw/zinc/05/61/09/626056109.db2.gz YXGWGXGFSFDEOR-KDOFPFPSSA-N 1 0 314.385 3.423 20 5 DGBDRO C[C@@H](CO)[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCC1 ZINC000796544624 626061348 /nfs/dbraw/zinc/06/13/48/626061348.db2.gz BRGOEFIEOQSEAZ-NSHDSACASA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@@H](CO)[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CCC1 ZINC000796556854 626061842 /nfs/dbraw/zinc/06/18/42/626061842.db2.gz SDAIHUMYAUUTLL-NSHDSACASA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1nn(C[N@@H+]2CC(C)=C[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797417151 626141278 /nfs/dbraw/zinc/14/12/78/626141278.db2.gz MTXGOUOUVLYFDU-NSHDSACASA-N 1 0 300.362 3.108 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000799728045 626325113 /nfs/dbraw/zinc/32/51/13/626325113.db2.gz FAJTYLDZAYZROS-PBHICJAKSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517660 626407046 /nfs/dbraw/zinc/40/70/46/626407046.db2.gz KBZJTLIQPRVHLU-CYBMUJFWSA-N 1 0 318.348 3.117 20 5 DGBDRO CCCN(CC[NH+](CC)CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801540394 626408928 /nfs/dbraw/zinc/40/89/28/626408928.db2.gz NNQSXHUTTUVNLM-UHFFFAOYSA-N 1 0 311.401 3.288 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[C@H](C)C1 ZINC000801548653 626409307 /nfs/dbraw/zinc/40/93/07/626409307.db2.gz KQEMGIRNVVDQDF-GXTWGEPZSA-N 1 0 310.369 3.371 20 5 DGBDRO CC(C)(C)SCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000801933332 626426439 /nfs/dbraw/zinc/42/64/39/626426439.db2.gz OGGYWUXRRMRJQU-GFCCVEGCSA-N 1 0 324.450 3.008 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccns2)cc1[N+](=O)[O-] ZINC000883248511 626623133 /nfs/dbraw/zinc/62/31/33/626623133.db2.gz VKDPUPCZNXYNHZ-LLVKDONJSA-N 1 0 321.402 3.343 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000883352432 626657265 /nfs/dbraw/zinc/65/72/65/626657265.db2.gz ASEOLAOZFGVYPM-KYOSRNDESA-N 1 0 307.394 3.033 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCC2(COC2)CC1 ZINC000883383692 626668037 /nfs/dbraw/zinc/66/80/37/626668037.db2.gz DPRIWMKGQKSKMM-GFCCVEGCSA-N 1 0 322.380 3.214 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCC2(COC2)CC1 ZINC000883388496 626669284 /nfs/dbraw/zinc/66/92/84/626669284.db2.gz WFXKPZCDONVDAV-UHFFFAOYSA-N 1 0 304.390 3.260 20 5 DGBDRO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000804362213 626673646 /nfs/dbraw/zinc/67/36/46/626673646.db2.gz VHLNTSNJCGLOQA-LBPRGKRZSA-N 1 0 322.365 3.037 20 5 DGBDRO C[NH+]1CCC([C@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000804580569 626694388 /nfs/dbraw/zinc/69/43/88/626694388.db2.gz YABPBINXGKHJMK-ZDUSSCGKSA-N 1 0 323.824 3.416 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3nc(Cl)ccc32)c1 ZINC000806150032 626702487 /nfs/dbraw/zinc/70/24/87/626702487.db2.gz JVGIDXCGDVAJNC-AWEZNQCLSA-N 1 0 317.776 3.463 20 5 DGBDRO CC1(C)CC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000806170197 626704091 /nfs/dbraw/zinc/70/40/91/626704091.db2.gz WYQXRPLRKVZJSX-MRXNPFEDSA-N 1 0 303.406 3.342 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)C[NH+]1CCCCC1 ZINC000807931219 626778684 /nfs/dbraw/zinc/77/86/84/626778684.db2.gz OHVVJEMMPOUTBB-CYBMUJFWSA-N 1 0 319.405 3.331 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[C@H](C)[NH+]1CCCCC1 ZINC000808016769 626787465 /nfs/dbraw/zinc/78/74/65/626787465.db2.gz VCIUDZVJCNURHD-ZDUSSCGKSA-N 1 0 319.405 3.474 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000808229706 626807261 /nfs/dbraw/zinc/80/72/61/626807261.db2.gz CCRKWPXDFWROMI-CQSZACIVSA-N 1 0 314.389 3.332 20 5 DGBDRO C[C@@H](C(=O)OCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000800214417 626826717 /nfs/dbraw/zinc/82/67/17/626826717.db2.gz LHNQSMQRYLVQPZ-CQSZACIVSA-N 1 0 320.389 3.118 20 5 DGBDRO C[C@H](C(=O)OCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000800214406 626826930 /nfs/dbraw/zinc/82/69/30/626826930.db2.gz LHNQSMQRYLVQPZ-AWEZNQCLSA-N 1 0 320.389 3.118 20 5 DGBDRO Cc1ccc([C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000884171193 626844135 /nfs/dbraw/zinc/84/41/35/626844135.db2.gz PFBXHKFIOPMTSI-WFASDCNBSA-N 1 0 321.421 3.090 20 5 DGBDRO Cc1[nH]c(C2CCN(c3sccc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884707717 626932315 /nfs/dbraw/zinc/93/23/15/626932315.db2.gz XFGCFPHWZCBJFG-UHFFFAOYSA-N 1 0 306.391 3.380 20 5 DGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809724765 626941833 /nfs/dbraw/zinc/94/18/33/626941833.db2.gz YPQHTTNNDLFEKK-IUODEOHRSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000809732369 626943009 /nfs/dbraw/zinc/94/30/09/626943009.db2.gz CFYRAIDXHSLCIU-INIZCTEOSA-N 1 0 320.776 3.380 20 5 DGBDRO CC[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000809733015 626943226 /nfs/dbraw/zinc/94/32/26/626943226.db2.gz OOAHMJTYOOZVSX-KSSFIOAISA-N 1 0 314.385 3.412 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809735977 626943528 /nfs/dbraw/zinc/94/35/28/626943528.db2.gz YOUJEGUZQVSRGJ-ZDUSSCGKSA-N 1 0 311.813 3.068 20 5 DGBDRO [NH3+]CCN(Cc1ccc2occc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000809735275 626943654 /nfs/dbraw/zinc/94/36/54/626943654.db2.gz YUQWBSGJVZCMGI-UHFFFAOYSA-N 1 0 311.341 3.306 20 5 DGBDRO [NH3+]CCN(C[C@@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734953 626943712 /nfs/dbraw/zinc/94/37/12/626943712.db2.gz OLXDYXWKPBYEFW-YJBOKZPZSA-N 1 0 311.385 3.164 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000885959183 627070148 /nfs/dbraw/zinc/07/01/48/627070148.db2.gz UYSBMVIYHLXNAP-INIZCTEOSA-N 1 0 315.348 3.336 20 5 DGBDRO CC(C)(COCc1ccccc1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886185774 627118768 /nfs/dbraw/zinc/11/87/68/627118768.db2.gz HGPJWRQSNDYNOU-UHFFFAOYSA-N 1 0 315.373 3.075 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886680691 627188528 /nfs/dbraw/zinc/18/85/28/627188528.db2.gz JYMDJRZEVZEBDN-KBPBESRZSA-N 1 0 312.373 3.325 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000886689891 627191288 /nfs/dbraw/zinc/19/12/88/627191288.db2.gz JYOZNWMBQZJUCQ-OAHLLOKOSA-N 1 0 312.373 3.073 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886703398 627195009 /nfs/dbraw/zinc/19/50/09/627195009.db2.gz UQVYZAYINFIBDR-TZMCWYRMSA-N 1 0 320.389 3.213 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000886709137 627195415 /nfs/dbraw/zinc/19/54/15/627195415.db2.gz LDZHZSNPTDGUJA-UHFFFAOYSA-N 1 0 317.433 3.354 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000886711206 627195982 /nfs/dbraw/zinc/19/59/82/627195982.db2.gz OSQOOKYDFRWGNV-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000300247176 627263241 /nfs/dbraw/zinc/26/32/41/627263241.db2.gz VEZMHMSCAZAGGF-WRWORJQWSA-N 1 0 304.177 3.075 20 5 DGBDRO C[NH+](C)CCCOC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811373094 627268346 /nfs/dbraw/zinc/26/83/46/627268346.db2.gz PIYFXWGOQVSMMQ-UHFFFAOYSA-N 1 0 321.160 3.010 20 5 DGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000814909834 627606407 /nfs/dbraw/zinc/60/64/07/627606407.db2.gz OCFLVISTQRCZSB-OAHLLOKOSA-N 1 0 309.797 3.170 20 5 DGBDRO C[C@@H](COc1ccccc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815570408 627685403 /nfs/dbraw/zinc/68/54/03/627685403.db2.gz BKSSLOBDYWJWAZ-STQMWFEESA-N 1 0 315.373 3.295 20 5 DGBDRO C[C@H](COc1ccccc1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815570405 627685445 /nfs/dbraw/zinc/68/54/45/627685445.db2.gz BKSSLOBDYWJWAZ-CHWSQXEVSA-N 1 0 315.373 3.295 20 5 DGBDRO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000815579795 627686821 /nfs/dbraw/zinc/68/68/21/627686821.db2.gz VGXRCTHBNGPADW-NWDGAFQWSA-N 1 0 317.393 3.366 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc(F)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579677 627686950 /nfs/dbraw/zinc/68/69/50/627686950.db2.gz SETBYGJODFZXAM-JTQLQIEISA-N 1 0 321.327 3.349 20 5 DGBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000815593067 627689115 /nfs/dbraw/zinc/68/91/15/627689115.db2.gz APXQITKIXODWPN-BLLLJJGKSA-N 1 0 315.373 3.215 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000815596156 627689159 /nfs/dbraw/zinc/68/91/59/627689159.db2.gz MDCAJIMQDXUICP-GFCCVEGCSA-N 1 0 315.373 3.345 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815648745 627694940 /nfs/dbraw/zinc/69/49/40/627694940.db2.gz VVZARSCFSQMRQV-IUODEOHRSA-N 1 0 321.421 3.016 20 5 DGBDRO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000924954216 627697484 /nfs/dbraw/zinc/69/74/84/627697484.db2.gz HWMRSCYNEOZUFB-CZUORRHYSA-N 1 0 310.394 3.023 20 5 DGBDRO C[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCOc2ccc(N)cc2C1 ZINC000925751247 627787448 /nfs/dbraw/zinc/78/74/48/627787448.db2.gz XTGKSQVWMKNDRN-LBPRGKRZSA-N 1 0 313.357 3.133 20 5 DGBDRO CCOc1ccc([C@H](C)N2CCC([NH3+])(CC)CC2)cc1[N+](=O)[O-] ZINC000925757266 627789796 /nfs/dbraw/zinc/78/97/96/627789796.db2.gz SQZMPKMCKPXSCQ-ZDUSSCGKSA-N 1 0 321.421 3.258 20 5 DGBDRO C[C@H](Cc1ccccn1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113731 627845582 /nfs/dbraw/zinc/84/55/82/627845582.db2.gz SZSRKDKQWHOKLR-GFCCVEGCSA-N 1 0 319.792 3.407 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)cc1Cl ZINC000817419898 627898328 /nfs/dbraw/zinc/89/83/28/627898328.db2.gz ZGHYJSAVHMJSCC-GFCCVEGCSA-N 1 0 312.797 3.233 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000926492547 627903815 /nfs/dbraw/zinc/90/38/15/627903815.db2.gz FQBFXVBTSWWDJS-ARLBYUKCSA-N 1 0 304.390 3.451 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000840342391 627911004 /nfs/dbraw/zinc/91/10/04/627911004.db2.gz YOIRAXFHKCCDCD-LLVKDONJSA-N 1 0 320.418 3.348 20 5 DGBDRO CCC[C@H]([NH2+]CCc1cc(C)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000926914535 627978774 /nfs/dbraw/zinc/97/87/74/627978774.db2.gz LEFWEKULLQHDHO-KRWDZBQOSA-N 1 0 316.405 3.310 20 5 DGBDRO Cc1cc(F)c(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000818187408 628001630 /nfs/dbraw/zinc/00/16/30/628001630.db2.gz XSMKCUDMIIXLSN-INIZCTEOSA-N 1 0 322.311 3.005 20 5 DGBDRO CCOCCOCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000927086217 628011241 /nfs/dbraw/zinc/01/12/41/628011241.db2.gz LMCYVKYEBYXZLU-KRWDZBQOSA-N 1 0 322.405 3.005 20 5 DGBDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819012862 628077489 /nfs/dbraw/zinc/07/74/89/628077489.db2.gz KKWHKWKBFWHSCW-AEFFLSMTSA-N 1 0 314.385 3.239 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000819014701 628078515 /nfs/dbraw/zinc/07/85/15/628078515.db2.gz SQVICTHULMXLHO-HTWSVDAQSA-N 1 0 312.369 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000819091964 628090739 /nfs/dbraw/zinc/09/07/39/628090739.db2.gz OZCSXUQGFYTQAX-GOSISDBHSA-N 1 0 314.385 3.241 20 5 DGBDRO Cc1cc(-c2noc([C@@H]3C[C@@H](C)CC[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000823269176 628544103 /nfs/dbraw/zinc/54/41/03/628544103.db2.gz DGRZLBQAGKCFGC-ZANVPECISA-N 1 0 302.334 3.014 20 5 DGBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC000824510173 628666034 /nfs/dbraw/zinc/66/60/34/628666034.db2.gz SIOQTAISODMGOU-CQSZACIVSA-N 1 0 313.348 3.197 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000830161723 629232767 /nfs/dbraw/zinc/23/27/67/629232767.db2.gz VHFUFOAAKSWQMA-QFYYESIMSA-N 1 0 322.311 3.257 20 5 DGBDRO CCOC(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)OCC ZINC000831539480 629388281 /nfs/dbraw/zinc/38/82/81/629388281.db2.gz RWXOKOFONBFPGN-OAHLLOKOSA-N 1 0 322.405 3.173 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834884238 629796975 /nfs/dbraw/zinc/79/69/75/629796975.db2.gz XWVLATDWYNJRRO-OLZOCXBDSA-N 1 0 319.405 3.177 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000837574606 630277864 /nfs/dbraw/zinc/27/78/64/630277864.db2.gz ZIBUAUDCJVHDFL-ZDUSSCGKSA-N 1 0 324.352 3.154 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000841085680 630405921 /nfs/dbraw/zinc/40/59/21/630405921.db2.gz APKSGHJLDIIJOQ-MLGOLLRUSA-N 1 0 323.824 3.212 20 5 DGBDRO CO[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)C ZINC000841889057 630473517 /nfs/dbraw/zinc/47/35/17/630473517.db2.gz ZEQJMIBFZNSVFZ-ZDUSSCGKSA-N 1 0 300.786 3.399 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000842590524 630550996 /nfs/dbraw/zinc/55/09/96/630550996.db2.gz ZMUFDQRWIOUCLJ-SNVBAGLBSA-N 1 0 310.741 3.344 20 5 DGBDRO Cc1c(C(=O)OC[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000842835074 630582999 /nfs/dbraw/zinc/58/29/99/630582999.db2.gz VDLMEVYEYBYSCH-AWEZNQCLSA-N 1 0 320.389 3.180 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000842834773 630583033 /nfs/dbraw/zinc/58/30/33/630583033.db2.gz ZXFQZISPCURXQP-GFCCVEGCSA-N 1 0 324.352 3.011 20 5 DGBDRO C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842921852 630593586 /nfs/dbraw/zinc/59/35/86/630593586.db2.gz RZUOQJPQQNSRRE-RTXFEEFZSA-N 1 0 307.394 3.174 20 5 DGBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000843296495 630643197 /nfs/dbraw/zinc/64/31/97/630643197.db2.gz MGXXSBCSROUPDI-IAGOWNOFSA-N 1 0 316.401 3.305 20 5 DGBDRO CCCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000843422113 630656365 /nfs/dbraw/zinc/65/63/65/630656365.db2.gz LLXXYPUKYYXILH-CYBMUJFWSA-N 1 0 311.813 3.164 20 5 DGBDRO CCCC[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843426521 630656823 /nfs/dbraw/zinc/65/68/23/630656823.db2.gz YHNTWGFAOFWCAG-CQSZACIVSA-N 1 0 300.786 3.279 20 5 DGBDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CO1 ZINC000843432239 630658392 /nfs/dbraw/zinc/65/83/92/630658392.db2.gz KQABCTIBUSMWAI-XVKPBYJWSA-N 1 0 305.161 3.169 20 5 DGBDRO CN(CC[NH+]1CCCCC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844465208 630732480 /nfs/dbraw/zinc/73/24/80/630732480.db2.gz WWPUVKFVOLHYIX-UHFFFAOYSA-N 1 0 311.813 3.166 20 5 DGBDRO Cc1cc(-c2noc([C@H]3CC[C@H](C4CC4)[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000844918779 630980706 /nfs/dbraw/zinc/98/07/06/630980706.db2.gz DLZPCAKFIJKUBK-ZIAGYGMSSA-N 1 0 314.345 3.156 20 5 DGBDRO Cc1c(-c2noc([C@H]3CC[C@@H](C4CC4)[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000844918829 630980976 /nfs/dbraw/zinc/98/09/76/630980976.db2.gz FYARDBQBHQTMBS-QWHCGFSZSA-N 1 0 314.345 3.156 20 5 DGBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846019372 631206617 /nfs/dbraw/zinc/20/66/17/631206617.db2.gz YXAINCUZUSJSGG-GWCFXTLKSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846185941 631214233 /nfs/dbraw/zinc/21/42/33/631214233.db2.gz BLSKUSCBRKECQX-PIGZYNQJSA-N 1 0 319.405 3.033 20 5 DGBDRO Cn1cncc1CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000846817480 631317519 /nfs/dbraw/zinc/31/75/19/631317519.db2.gz MFFQKRJXDGNUNS-UHFFFAOYSA-N 1 0 322.796 3.046 20 5 DGBDRO C[C@@H]1C[C@H](C)[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848479432 631667684 /nfs/dbraw/zinc/66/76/84/631667684.db2.gz AFXAJJQLLNIETH-OLZOCXBDSA-N 1 0 300.362 3.146 20 5 DGBDRO CC[C@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848476855 631667935 /nfs/dbraw/zinc/66/79/35/631667935.db2.gz JCPZOXDVTHTHTO-AWEZNQCLSA-N 1 0 300.362 3.290 20 5 DGBDRO C[C@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)[C@H]1C ZINC000848479789 631668434 /nfs/dbraw/zinc/66/84/34/631668434.db2.gz BQGIXXYLSOKSLN-STQMWFEESA-N 1 0 300.362 3.146 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000848527012 631678080 /nfs/dbraw/zinc/67/80/80/631678080.db2.gz OYRCMUZJKNSNHK-DOTOQJQBSA-N 1 0 316.332 3.044 20 5 DGBDRO Cn1c(Cl)ncc1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000848554078 631690877 /nfs/dbraw/zinc/69/08/77/631690877.db2.gz VEHOWDGLWVCEII-UHFFFAOYSA-N 1 0 308.769 3.007 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848557614 631691935 /nfs/dbraw/zinc/69/19/35/631691935.db2.gz GKZKYTRRLKWAAQ-MZPVMMEZSA-N 1 0 319.405 3.175 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848575490 631701284 /nfs/dbraw/zinc/70/12/84/631701284.db2.gz RILYNIAUIDYFJR-CVEARBPZSA-N 1 0 323.824 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1Cl ZINC000848927634 631791346 /nfs/dbraw/zinc/79/13/46/631791346.db2.gz JLCUUYVTQHAGNQ-GOEBONIOSA-N 1 0 323.824 3.355 20 5 DGBDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCc1ccc([N+](=O)[O-])cc1 ZINC000849065001 631824067 /nfs/dbraw/zinc/82/40/67/631824067.db2.gz IIGDFKNJIRYNBF-AWEZNQCLSA-N 1 0 320.437 3.466 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccn1 ZINC000850482325 632165853 /nfs/dbraw/zinc/16/58/53/632165853.db2.gz NWFXASBOMQQPKW-NEPJUHHUSA-N 1 0 300.362 3.026 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)C1CC1 ZINC000850525739 632180965 /nfs/dbraw/zinc/18/09/65/632180965.db2.gz QFEQDCQNIZADDC-JKSUJKDBSA-N 1 0 316.401 3.217 20 5 DGBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC000850563095 632195428 /nfs/dbraw/zinc/19/54/28/632195428.db2.gz RUSYWOOSZYXPQF-BZNIZROVSA-N 1 0 307.394 3.033 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+](C2CC2)C2(CO)CCC2)ccc1Cl ZINC000852159356 632565666 /nfs/dbraw/zinc/56/56/66/632565666.db2.gz VRRGZGHFIMXAPL-UHFFFAOYSA-N 1 0 310.781 3.128 20 5 DGBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852422933 632603015 /nfs/dbraw/zinc/60/30/15/632603015.db2.gz NTVNJQGWCCSNGJ-RISCZKNCSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1CCO ZINC000852455988 632605686 /nfs/dbraw/zinc/60/56/86/632605686.db2.gz HMTASBUPIVHJDC-FZMZJTMJSA-N 1 0 312.797 3.231 20 5 DGBDRO CC(C)([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC000793255893 661018464 /nfs/dbraw/zinc/01/84/64/661018464.db2.gz ULGVXXAHAKESJE-UHFFFAOYSA-N 1 0 313.348 3.197 20 5 DGBDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000793539050 661043244 /nfs/dbraw/zinc/04/32/44/661043244.db2.gz GVBBCRKOJXYWRD-OLZOCXBDSA-N 1 0 302.378 3.357 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000794614003 661093920 /nfs/dbraw/zinc/09/39/20/661093920.db2.gz QHRDJRAUISMSSR-ROUUACIJSA-N 1 0 314.385 3.443 20 5 DGBDRO CC[N@H+](CC1CCC1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000794687957 661099075 /nfs/dbraw/zinc/09/90/75/661099075.db2.gz JNYNNTGZQWWKBJ-UHFFFAOYSA-N 1 0 302.378 3.332 20 5 DGBDRO CC(C)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000795240133 661135836 /nfs/dbraw/zinc/13/58/36/661135836.db2.gz LBQQPBUPNIEMAQ-MRXNPFEDSA-N 1 0 318.348 3.292 20 5 DGBDRO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000795686697 661167861 /nfs/dbraw/zinc/16/78/61/661167861.db2.gz HXXFMOFEQSQCAF-ZACQAIPSSA-N 1 0 312.373 3.017 20 5 DGBDRO Cc1csc(C[C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000933125897 655683602 /nfs/dbraw/zinc/68/36/02/655683602.db2.gz LGCLJSOVVNMYAD-CYBMUJFWSA-N 1 0 317.414 3.424 20 5 DGBDRO C[C@@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000084439869 655752939 /nfs/dbraw/zinc/75/29/39/655752939.db2.gz WXNPJDNEGMYXNX-LBPRGKRZSA-N 1 0 311.813 3.070 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)o1 ZINC000934338648 655769151 /nfs/dbraw/zinc/76/91/51/655769151.db2.gz DQPVTJMKHPHSAJ-AAEUAGOBSA-N 1 0 314.345 3.019 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000715915084 661215845 /nfs/dbraw/zinc/21/58/45/661215845.db2.gz FWTREDACLJPTMT-XJKSGUPXSA-N 1 0 322.405 3.425 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC1(C)OCCO1 ZINC000715964059 661216281 /nfs/dbraw/zinc/21/62/81/661216281.db2.gz CSZFLOOBEUATGO-OLZOCXBDSA-N 1 0 308.378 3.035 20 5 DGBDRO Cc1ccc(-c2csc([C@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000053252103 656137927 /nfs/dbraw/zinc/13/79/27/656137927.db2.gz WKMMNOFERHJGEX-LBPRGKRZSA-N 1 0 303.387 3.494 20 5 DGBDRO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000037562435 661265443 /nfs/dbraw/zinc/26/54/43/661265443.db2.gz ZNPNFVGMSHXTSQ-UHFFFAOYSA-N 1 0 305.403 3.272 20 5 DGBDRO CC[N@H+](CCc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178574746 656933998 /nfs/dbraw/zinc/93/39/98/656933998.db2.gz RTXUNUAJPOWQHW-SFHVURJKSA-N 1 0 314.385 3.193 20 5 DGBDRO [NH3+]C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C1CCCCC1 ZINC000261663524 656952550 /nfs/dbraw/zinc/95/25/50/656952550.db2.gz GIZDDFZHUVBJRD-INIZCTEOSA-N 1 0 314.389 3.463 20 5 DGBDRO [NH3+]C1(c2noc(-c3cccc(Cl)c3[N+](=O)[O-])n2)CCCC1 ZINC000261882139 657157565 /nfs/dbraw/zinc/15/75/65/657157565.db2.gz WNHLNYPGMYCELR-UHFFFAOYSA-N 1 0 308.725 3.026 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1[NH3+] ZINC000262109337 657372431 /nfs/dbraw/zinc/37/24/31/657372431.db2.gz WHDXRBRGDIGVJO-XHDPSFHLSA-N 1 0 317.414 3.102 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1[NH3+] ZINC000262109333 657372594 /nfs/dbraw/zinc/37/25/94/657372594.db2.gz WHDXRBRGDIGVJO-ABAIWWIYSA-N 1 0 317.414 3.102 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCCCCCC3)n2)c1 ZINC000054422491 658182361 /nfs/dbraw/zinc/18/23/61/658182361.db2.gz QUXFNXJAWFZCSD-UHFFFAOYSA-N 1 0 315.377 3.077 20 5 DGBDRO C[NH+](C)CC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000042393124 658772967 /nfs/dbraw/zinc/77/29/67/658772967.db2.gz NWDZBBMPDWVVFP-UHFFFAOYSA-N 1 0 311.813 3.022 20 5 DGBDRO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)nn1 ZINC000929337209 661298621 /nfs/dbraw/zinc/29/86/21/661298621.db2.gz CGKLFNWFVDPIES-UHFFFAOYSA-N 1 0 314.389 3.412 20 5 DGBDRO COC/C(C)=C/C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930636368 661417556 /nfs/dbraw/zinc/41/75/56/661417556.db2.gz GBNKLPDGXXFOKR-IDJPSDCMSA-N 1 0 304.390 3.367 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)NC1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932183347 661545212 /nfs/dbraw/zinc/54/52/12/661545212.db2.gz QNYKWRBTYJBGNB-CYBMUJFWSA-N 1 0 319.405 3.084 20 5 DGBDRO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932183412 661545310 /nfs/dbraw/zinc/54/53/10/661545310.db2.gz RNODTFKXSIRSRS-HIFRSBDPSA-N 1 0 319.405 3.037 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000932379688 661563995 /nfs/dbraw/zinc/56/39/95/661563995.db2.gz NRFWJNPZYQPTFC-KRWDZBQOSA-N 1 0 313.357 3.110 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C ZINC000933078274 661616086 /nfs/dbraw/zinc/61/60/86/661616086.db2.gz KOVJTRSILQUFLA-UHFFFAOYSA-N 1 0 313.785 3.273 20 5 DGBDRO Cc1csc(C[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000933130455 661619347 /nfs/dbraw/zinc/61/93/47/661619347.db2.gz MQWMSNFCQNMVRA-CQSZACIVSA-N 1 0 317.414 3.424 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933393715 661632142 /nfs/dbraw/zinc/63/21/42/661632142.db2.gz ZDTIRRGFYTVZIC-XHDPSFHLSA-N 1 0 308.765 3.049 20 5 DGBDRO CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000934208967 661688230 /nfs/dbraw/zinc/68/82/30/661688230.db2.gz HKUNWHLGPOFZAG-JKSUJKDBSA-N 1 0 319.405 3.035 20 5 DGBDRO Cn1c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc2ccccc21 ZINC001620778388 1191848391 /nfs/dbraw/zinc/84/83/91/1191848391.db2.gz QUAVIKHWSKNQQW-UHFFFAOYSA-N 1 0 309.369 3.419 20 5 DGBDRO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])c2ccccc2C[NH2+]1 ZINC001576807256 1191869890 /nfs/dbraw/zinc/86/98/90/1191869890.db2.gz OUNIGZOHDFVCMZ-LBPRGKRZSA-N 1 0 315.348 3.232 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1OC ZINC001617727073 1191878665 /nfs/dbraw/zinc/87/86/65/1191878665.db2.gz GFSSYHVUBFNRRV-CABCVRRESA-N 1 0 310.369 3.417 20 5 DGBDRO Cc1cccc2c1C[NH2+]CCN2CCc1ccc([N+](=O)[O-])cc1 ZINC001579779279 1191993012 /nfs/dbraw/zinc/99/30/12/1191993012.db2.gz KYPXXHNSADLSSE-UHFFFAOYSA-N 1 0 311.385 3.056 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1C(F)(F)F ZINC001580876034 1192043576 /nfs/dbraw/zinc/04/35/76/1192043576.db2.gz XSGSXXRYDURVSI-QWHCGFSZSA-N 1 0 315.295 3.310 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@]23CCC[C@H]2[NH2+]CC3)cc1C(F)(F)F ZINC001580876033 1192043665 /nfs/dbraw/zinc/04/36/65/1192043665.db2.gz XSGSXXRYDURVSI-OLZOCXBDSA-N 1 0 315.295 3.310 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC001587984219 1192428440 /nfs/dbraw/zinc/42/84/40/1192428440.db2.gz SIHVLRJVMGORAQ-UHFFFAOYSA-N 1 0 321.421 3.007 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cnc2ccccn12)c1cccc([N+](=O)[O-])c1 ZINC001620863319 1192476781 /nfs/dbraw/zinc/47/67/81/1192476781.db2.gz KHIALKJEXDZGLJ-MRXNPFEDSA-N 1 0 310.357 3.483 20 5 DGBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001332996759 1178536293 /nfs/dbraw/zinc/53/62/93/1178536293.db2.gz RTMWQBNRGOANRM-WCQYABFASA-N 1 0 302.296 3.208 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC001333000192 1178537913 /nfs/dbraw/zinc/53/79/13/1178537913.db2.gz MMKOULOOGJGENM-KRWDZBQOSA-N 1 0 306.406 3.052 20 5 DGBDRO Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(Cl)n1 ZINC001333717667 1178659519 /nfs/dbraw/zinc/65/95/19/1178659519.db2.gz ASGXGKIBTZRDSC-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO Cc1ccc(N2CCCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001335542845 1178929423 /nfs/dbraw/zinc/92/94/23/1178929423.db2.gz KCACAAMDUZPREX-UHFFFAOYSA-N 1 0 312.373 3.015 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC001343318460 1179255686 /nfs/dbraw/zinc/25/56/86/1179255686.db2.gz GWQMTGQXXFPZSY-JHJVBQTASA-N 1 0 323.824 3.415 20 5 DGBDRO Cc1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001344075998 1179375017 /nfs/dbraw/zinc/37/50/17/1179375017.db2.gz QUNWNBDAEIQODM-AWEZNQCLSA-N 1 0 300.362 3.006 20 5 DGBDRO CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001345670356 1179591348 /nfs/dbraw/zinc/59/13/48/1179591348.db2.gz TUEXZPMISKBQMW-YPMHNXCESA-N 1 0 316.361 3.117 20 5 DGBDRO Cc1ccc([C@H](C)NC(=O)[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC001357322833 1181387247 /nfs/dbraw/zinc/38/72/47/1181387247.db2.gz VHYACLPTSIIQPY-GUYCJALGSA-N 1 0 321.421 3.092 20 5 DGBDRO CC[NH+]1CCC(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC001458116150 1182498402 /nfs/dbraw/zinc/49/84/02/1182498402.db2.gz BDSMJRPWTBUQCP-UHFFFAOYSA-N 1 0 318.421 3.012 20 5 DGBDRO CC[N@@H+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@@H]1C ZINC001458267790 1182510209 /nfs/dbraw/zinc/51/02/09/1182510209.db2.gz VSDDGEOCBYPVNX-JTQLQIEISA-N 1 0 317.311 3.144 20 5 DGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001458372303 1182518990 /nfs/dbraw/zinc/51/89/90/1182518990.db2.gz QYGPZEMJLWZURE-GFCCVEGCSA-N 1 0 302.378 3.284 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](CC3CC3)CC2)c1 ZINC001458518528 1182534547 /nfs/dbraw/zinc/53/45/47/1182534547.db2.gz SQZNUJUMKBWKMF-UHFFFAOYSA-N 1 0 303.406 3.437 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)cn1 ZINC001458544116 1182537802 /nfs/dbraw/zinc/53/78/02/1182537802.db2.gz HFUCDIYCDZCGNT-HNNXBMFYSA-N 1 0 304.394 3.199 20 5 DGBDRO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001459702359 1182606785 /nfs/dbraw/zinc/60/67/85/1182606785.db2.gz VUSCIECIHIHNAP-QLFBSQMISA-N 1 0 318.421 3.302 20 5 DGBDRO CCC[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001459745019 1182612464 /nfs/dbraw/zinc/61/24/64/1182612464.db2.gz VULNNQAELWSNCC-CQSZACIVSA-N 1 0 322.405 3.494 20 5 DGBDRO CC(C)[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001459829641 1182620781 /nfs/dbraw/zinc/62/07/81/1182620781.db2.gz FQQBMYFMCCYSIZ-HNNXBMFYSA-N 1 0 319.405 3.434 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001460252672 1182667461 /nfs/dbraw/zinc/66/74/61/1182667461.db2.gz SWUZISNYYPFTNY-LBPRGKRZSA-N 1 0 308.378 3.103 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)N1CCCCC1 ZINC001461086522 1182764977 /nfs/dbraw/zinc/76/49/77/1182764977.db2.gz FSJNDCRAMXWYDS-CQSZACIVSA-N 1 0 305.422 3.176 20 5 DGBDRO C[C@H](CC[NH+](C)C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001461125430 1182771694 /nfs/dbraw/zinc/77/16/94/1182771694.db2.gz GQRKNZNCXPNJFM-CYBMUJFWSA-N 1 0 317.389 3.285 20 5 DGBDRO Cc1cnc([C@@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC001462064785 1182903556 /nfs/dbraw/zinc/90/35/56/1182903556.db2.gz MPRQJEOCABODTG-VIFPVBQESA-N 1 0 309.366 3.392 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)C1CCCC1 ZINC001462538073 1182966197 /nfs/dbraw/zinc/96/61/97/1182966197.db2.gz ZQAHZMADMXXDBD-KSSFIOAISA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001472668754 1183663816 /nfs/dbraw/zinc/66/38/16/1183663816.db2.gz XJBOZKKATWSJSK-RYUDHWBXSA-N 1 0 317.393 3.003 20 5 DGBDRO C[C@H](CC[NH+](C)C)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001472676473 1183664792 /nfs/dbraw/zinc/66/47/92/1183664792.db2.gz KDGUFGGTOSFVBL-SECBINFHSA-N 1 0 305.300 3.366 20 5 DGBDRO CCCN(CC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])c(C)n1 ZINC001472799471 1183683263 /nfs/dbraw/zinc/68/32/63/1183683263.db2.gz VOBZAGNHOFCQGT-UHFFFAOYSA-N 1 0 320.437 3.391 20 5 DGBDRO CN(CC(C)(C)C[NH+](C)C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC001472897076 1183698193 /nfs/dbraw/zinc/69/81/93/1183698193.db2.gz INFYJBLAJQNNFJ-UHFFFAOYSA-N 1 0 316.405 3.167 20 5 DGBDRO CCOC(=O)CCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001473294317 1183741381 /nfs/dbraw/zinc/74/13/81/1183741381.db2.gz KUJZPURUYMFABN-UHFFFAOYSA-N 1 0 320.389 3.293 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001474029735 1183854383 /nfs/dbraw/zinc/85/43/83/1183854383.db2.gz XXFPIEJSYZFDFO-HUUCEWRRSA-N 1 0 305.422 3.174 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001474257620 1183890704 /nfs/dbraw/zinc/89/07/04/1183890704.db2.gz QCRIHMWCEALPJY-UDYBNVKDSA-N 1 0 304.390 3.403 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccc([N+](=O)[O-])cc1 ZINC001474266643 1183891263 /nfs/dbraw/zinc/89/12/63/1183891263.db2.gz XQGINDBIGIBJHQ-JTQLQIEISA-N 1 0 313.313 3.292 20 5 DGBDRO CC[C@H](OC(=O)C12CCC[NH+]1CCC2)c1cccc([N+](=O)[O-])c1 ZINC001527576979 1187436823 /nfs/dbraw/zinc/43/68/23/1187436823.db2.gz PTYRJKBCXSIEJJ-HNNXBMFYSA-N 1 0 318.373 3.218 20 5 DGBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001617359237 1193566483 /nfs/dbraw/zinc/56/64/83/1193566483.db2.gz FEVDTEWSCULCKM-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[NH+]1CCCC1 ZINC001559067570 1189167694 /nfs/dbraw/zinc/16/76/94/1189167694.db2.gz FDSUSGCGTUFTON-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO CCC[N@H+](CC)CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001559124232 1189173307 /nfs/dbraw/zinc/17/33/07/1189173307.db2.gz HJVOGURRSIAHBM-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO C[N@@H+]1CCCC[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001559237076 1189184817 /nfs/dbraw/zinc/18/48/17/1189184817.db2.gz BQYLFKSUFYKQKC-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+]2C2CCCCCC2)c(F)c1 ZINC001559260206 1189188089 /nfs/dbraw/zinc/18/80/89/1189188089.db2.gz FFUJVUHLEMSRBS-CYBMUJFWSA-N 1 0 322.384 3.338 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001560275077 1189303820 /nfs/dbraw/zinc/30/38/20/1189303820.db2.gz XUDIYQXDCJNTIM-GFCCVEGCSA-N 1 0 323.356 3.231 20 5 DGBDRO C[C@H](CC1CCC1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001560954649 1189410256 /nfs/dbraw/zinc/41/02/56/1189410256.db2.gz YAGRMYYOYRTLGE-OLZOCXBDSA-N 1 0 319.405 3.480 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)C2CCCC2)c(Cl)c1 ZINC001560976989 1189414527 /nfs/dbraw/zinc/41/45/27/1189414527.db2.gz XDUMPXMFBNDXGK-HNNXBMFYSA-N 1 0 312.797 3.279 20 5 DGBDRO CC(C)(C)[C@@H](C[NH3+])NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001575107486 1191466520 /nfs/dbraw/zinc/46/65/20/1191466520.db2.gz CIBNDPGBAPVBKV-LLVKDONJSA-N 1 0 320.220 3.365 20 5 DGBDRO CC(C)=CCC[C@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575390445 1191478440 /nfs/dbraw/zinc/47/84/40/1191478440.db2.gz UXHIZMRZFMSLTQ-GUYCJALGSA-N 1 0 319.405 3.020 20 5 DGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC001618654407 1193745793 /nfs/dbraw/zinc/74/57/93/1193745793.db2.gz UORUHSBQYIQQDS-LSDHHAIUSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001620583454 1193781490 /nfs/dbraw/zinc/78/14/90/1193781490.db2.gz LPHMMMXCURBIEO-ZDUSSCGKSA-N 1 0 321.396 3.183 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001620591138 1193782101 /nfs/dbraw/zinc/78/21/01/1193782101.db2.gz RDNFLQQPTBZTRW-OAHLLOKOSA-N 1 0 316.332 3.390 20 5 DGBDRO C[NH+](C)Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c(F)c1 ZINC001626399650 1194074892 /nfs/dbraw/zinc/07/48/92/1194074892.db2.gz OMCDIWSADBWSNW-UHFFFAOYSA-N 1 0 323.349 3.109 20 5 DGBDRO CC(C)(C)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000048927629 1194500094 /nfs/dbraw/zinc/50/00/94/1194500094.db2.gz VUFNASKOOZSZHI-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001639463183 1194767657 /nfs/dbraw/zinc/76/76/57/1194767657.db2.gz CNHKXCOZSXWYQZ-CYBMUJFWSA-N 1 0 322.409 3.063 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001640499865 1194817011 /nfs/dbraw/zinc/81/70/11/1194817011.db2.gz TZXPZXKKDJYKAC-NSHDSACASA-N 1 0 306.391 3.101 20 5 DGBDRO CCCC[N@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC001642243582 1194895826 /nfs/dbraw/zinc/89/58/26/1194895826.db2.gz BQDNJLAVAWEGPL-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO Cc1nc(N[C@@H](CC(C)C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001642737309 1194933492 /nfs/dbraw/zinc/93/34/92/1194933492.db2.gz SIMNQTCALQNCAP-AWEZNQCLSA-N 1 0 306.410 3.221 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc2c[nH+]cn2c1 ZINC001642775115 1194938185 /nfs/dbraw/zinc/93/81/85/1194938185.db2.gz CQQBZYPCEPJGIH-UHFFFAOYSA-N 1 0 319.324 3.403 20 5 DGBDRO CC[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC001642792005 1194939532 /nfs/dbraw/zinc/93/95/32/1194939532.db2.gz WMDALIXOWSNLCJ-RYUDHWBXSA-N 1 0 316.361 3.265 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1(C)C ZINC001642841496 1194946412 /nfs/dbraw/zinc/94/64/12/1194946412.db2.gz SQLLKKGADGBDCB-OLZOCXBDSA-N 1 0 320.418 3.345 20 5 DGBDRO CCC[C@]1(COC)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001642897762 1194952282 /nfs/dbraw/zinc/95/22/82/1194952282.db2.gz QWUQIDCYRXSBMH-QGZVFWFLSA-N 1 0 322.405 3.255 20 5 DGBDRO COCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC001642938215 1194955167 /nfs/dbraw/zinc/95/51/67/1194955167.db2.gz NUSKTSKFSNHKIC-DOMZBBRYSA-N 1 0 310.369 3.371 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCCCCCCC1 ZINC001643113092 1194996474 /nfs/dbraw/zinc/99/64/74/1194996474.db2.gz ACSGFDANSIWIHL-UHFFFAOYSA-N 1 0 319.405 3.498 20 5 DGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC(OC(C)(C)C)C1 ZINC001643475972 1195027209 /nfs/dbraw/zinc/02/72/09/1195027209.db2.gz JURSRRGZBQGMCU-UHFFFAOYSA-N 1 0 306.406 3.415 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC001648114088 1195276939 /nfs/dbraw/zinc/27/69/39/1195276939.db2.gz LXHZVKOKZJJNIJ-BMFZPTHFSA-N 1 0 324.808 3.374 20 5 DGBDRO COC(=O)C(C)(C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC001648167791 1195281432 /nfs/dbraw/zinc/28/14/32/1195281432.db2.gz UNNDOEIXVUJTQI-UHFFFAOYSA-N 1 0 322.405 3.252 20 5 DGBDRO C[C@@H](NCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001648229093 1195285174 /nfs/dbraw/zinc/28/51/74/1195285174.db2.gz UQUUTEBHPREXAS-SOUVJXGZSA-N 1 0 305.422 3.223 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCCC[NH+]1CCCCC1 ZINC001648725605 1195326362 /nfs/dbraw/zinc/32/63/62/1195326362.db2.gz RKGCFBCBSNBDAG-UHFFFAOYSA-N 1 0 305.422 3.177 20 5 DGBDRO CCOc1cc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001651174923 1195422976 /nfs/dbraw/zinc/42/29/76/1195422976.db2.gz WJYJKRATXBFWKO-CABCVRRESA-N 1 0 307.394 3.134 20 5 DGBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC001651344754 1195446033 /nfs/dbraw/zinc/44/60/33/1195446033.db2.gz PRARIRPIKLFXBR-HNNXBMFYSA-N 1 0 324.400 3.441 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001651516305 1195475349 /nfs/dbraw/zinc/47/53/49/1195475349.db2.gz OXWSKZCATGZEIN-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO C[C@H](CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-])[NH+](C)C ZINC001652029078 1195538429 /nfs/dbraw/zinc/53/84/29/1195538429.db2.gz BCAHHMYKQQEZJM-SECBINFHSA-N 1 0 305.300 3.366 20 5 DGBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[NH+](C)C ZINC001652030584 1195539262 /nfs/dbraw/zinc/53/92/62/1195539262.db2.gz WPKCPTJLWZRVAJ-ZDUSSCGKSA-N 1 0 314.389 3.409 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001652526042 1195611870 /nfs/dbraw/zinc/61/18/70/1195611870.db2.gz FHPIEKFVJODWOV-KGLIPLIRSA-N 1 0 319.405 3.434 20 5 DGBDRO CO[C@@]1(C)C[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001652571080 1195618207 /nfs/dbraw/zinc/61/82/07/1195618207.db2.gz FCHNGONTHJCMGN-RDJZCZTQSA-N 1 0 322.405 3.109 20 5 DGBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653449933 1195724027 /nfs/dbraw/zinc/72/40/27/1195724027.db2.gz PBRVJOCFECUASF-WBVHZDCISA-N 1 0 306.406 3.273 20 5 DGBDRO COc1ccc(OCC[N@@H+]2[C@H](C)CCC2(C)C)c([N+](=O)[O-])c1 ZINC001653869423 1195756658 /nfs/dbraw/zinc/75/66/58/1195756658.db2.gz RBBXSGGEDQHONF-GFCCVEGCSA-N 1 0 308.378 3.245 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001653868231 1195756679 /nfs/dbraw/zinc/75/66/79/1195756679.db2.gz LRKDXKYNCNUGKE-STQMWFEESA-N 1 0 319.405 3.290 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC001653868228 1195756739 /nfs/dbraw/zinc/75/67/39/1195756739.db2.gz LRKDXKYNCNUGKE-CHWSQXEVSA-N 1 0 319.405 3.290 20 5 DGBDRO C[C@@H]1CCC[C@@H](C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC001654504340 1195811584 /nfs/dbraw/zinc/81/15/84/1195811584.db2.gz XLFCGLBXVQPCBY-CPUCHLNUSA-N 1 0 306.406 3.218 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC001654770983 1195838661 /nfs/dbraw/zinc/83/86/61/1195838661.db2.gz BRPNACJDIJWOSC-UHFFFAOYSA-N 1 0 322.405 3.381 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C2CCCCC2)CC1 ZINC001654976212 1195861079 /nfs/dbraw/zinc/86/10/79/1195861079.db2.gz OADNRVYGRCSJIV-UHFFFAOYSA-N 1 0 320.437 3.392 20 5 DGBDRO Cc1ccc(C[NH+]2CCC(c3cncn3C)CC2)cc1[N+](=O)[O-] ZINC001655123172 1195880350 /nfs/dbraw/zinc/88/03/50/1195880350.db2.gz CKQOWNPFTOIIGK-UHFFFAOYSA-N 1 0 314.389 3.016 20 5 DGBDRO CC(C)Oc1nc(NC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001655579673 1195935104 /nfs/dbraw/zinc/93/51/04/1195935104.db2.gz WBNZZPSPHFGUES-UHFFFAOYSA-N 1 0 322.409 3.063 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001655725299 1195956704 /nfs/dbraw/zinc/95/67/04/1195956704.db2.gz UHSMEJLIWVAGLS-DOTOQJQBSA-N 1 0 306.406 3.444 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cccc(O)c2)cc1 ZINC001655739772 1195958201 /nfs/dbraw/zinc/95/82/01/1195958201.db2.gz NWNQWFJUIDPOTG-UHFFFAOYSA-N 1 0 300.358 3.413 20 5 DGBDRO C[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001655801537 1195963800 /nfs/dbraw/zinc/96/38/00/1195963800.db2.gz IPLCCGUIPCUKEG-CQSZACIVSA-N 1 0 311.813 3.415 20 5 DGBDRO C[C@@H]([NH2+]Cc1cn2ccnc2s1)c1cccc([N+](=O)[O-])c1 ZINC001656820081 1196073177 /nfs/dbraw/zinc/07/31/77/1196073177.db2.gz LXSQFLRBMHHVCT-SNVBAGLBSA-N 1 0 302.359 3.155 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CN1CCC[C@H](C)C1 ZINC001656947323 1196085933 /nfs/dbraw/zinc/08/59/33/1196085933.db2.gz UCSIVRNSMNXZLU-ZFWWWQNUSA-N 1 0 319.449 3.422 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc3c2CCC3)cc1 ZINC001657104919 1196106499 /nfs/dbraw/zinc/10/64/99/1196106499.db2.gz LTWUBXQGWRBYEB-UHFFFAOYSA-N 1 0 312.369 3.252 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC001657525656 1196151356 /nfs/dbraw/zinc/15/13/56/1196151356.db2.gz DDEYXRQNEIWMRD-YUTCNCBUSA-N 1 0 320.389 3.320 20 5 DGBDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001658181734 1196222064 /nfs/dbraw/zinc/22/20/64/1196222064.db2.gz GVOMRIDWWVOUAW-HNNXBMFYSA-N 1 0 312.797 3.279 20 5 DGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001658354004 1196245601 /nfs/dbraw/zinc/24/56/01/1196245601.db2.gz BUHOLYLWZOKFAI-CJNGLKHVSA-N 1 0 319.405 3.482 20 5 DGBDRO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001658692707 1196289652 /nfs/dbraw/zinc/28/96/52/1196289652.db2.gz IAGYUQOODMIVDM-TZMCWYRMSA-N 1 0 312.797 3.277 20 5 DGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001658757628 1196296513 /nfs/dbraw/zinc/29/65/13/1196296513.db2.gz XKSMJOCEPDTSST-DIECFANBSA-N 1 0 320.433 3.445 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CC[NH+]1CCCCC1 ZINC001659560465 1196395546 /nfs/dbraw/zinc/39/55/46/1196395546.db2.gz KOXVFDRJRUKZAL-DTQAZKPQSA-N 1 0 317.433 3.416 20 5 DGBDRO CC(C)C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001660215028 1196457895 /nfs/dbraw/zinc/45/78/95/1196457895.db2.gz MKXANBAVGSAGAE-LLVKDONJSA-N 1 0 321.204 3.398 20 5 DGBDRO Cc1c(CN2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001660369701 1196476029 /nfs/dbraw/zinc/47/60/29/1196476029.db2.gz JSWMYLVUOSDNAR-WMLDXEAASA-N 1 0 319.449 3.455 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001660947791 1196545581 /nfs/dbraw/zinc/54/55/81/1196545581.db2.gz PUMYEIKYPOFKDV-MVWJERBFSA-N 1 0 317.172 3.311 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](C)C[NH+]1CCCC1 ZINC001660976879 1196548612 /nfs/dbraw/zinc/54/86/12/1196548612.db2.gz RMGOUGCWTRECRF-ZDUSSCGKSA-N 1 0 305.422 3.033 20 5 DGBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc2n1 ZINC001661590625 1196622113 /nfs/dbraw/zinc/62/21/13/1196622113.db2.gz NEDRZIAFBCCEJI-UHFFFAOYSA-N 1 0 323.352 3.441 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC001661590722 1196622126 /nfs/dbraw/zinc/62/21/26/1196622126.db2.gz QAJKRHWFLSFBRN-LBPRGKRZSA-N 1 0 304.321 3.291 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC001662350776 1196711533 /nfs/dbraw/zinc/71/15/33/1196711533.db2.gz RAJYSTSWFSOMJY-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@@H+]1CCCC1(C)C ZINC001662637778 1196736092 /nfs/dbraw/zinc/73/60/92/1196736092.db2.gz FONUMLDVFMPAJO-UHFFFAOYSA-N 1 0 305.422 3.176 20 5 DGBDRO CC1(C)CCC[C@@](O)(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001665440367 1197138199 /nfs/dbraw/zinc/13/81/99/1197138199.db2.gz ZFEOEDWWPKFVBZ-SFHVURJKSA-N 1 0 320.433 3.448 20 5 DGBDRO CCOC(=O)C1(C)CC([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001665780857 1197195051 /nfs/dbraw/zinc/19/50/51/1197195051.db2.gz STIXITYMXCOWGM-POZPTJLLSA-N 1 0 320.389 3.020 20 5 DGBDRO [NH3+]C1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCCCC1 ZINC000262565551 1204325755 /nfs/dbraw/zinc/32/57/55/1204325755.db2.gz WNAUNXRCADFSRR-UHFFFAOYSA-N 1 0 318.299 3.082 20 5 DGBDRO C[C@@H]1CN(c2ccc3ccc4cccnc4c3n2)[C@@H](C)C[N@@H+]1C ZINC001164639302 719173937 /nfs/dbraw/zinc/17/39/37/719173937.db2.gz RMAVXRKXBGVJJI-KGLIPLIRSA-N 1 0 306.413 3.312 20 5 DGBDRO O=[N+]([O-])c1cc(NCC[C@H]2CCC[NH2+]2)ccc1C(F)(F)F ZINC001169563844 1081592824 /nfs/dbraw/zinc/59/28/24/1081592824.db2.gz CWMOBGNKHUTPFK-SECBINFHSA-N 1 0 303.284 3.168 20 5 DGBDRO C[NH2+]Cc1cn(-c2nccc(C)c2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167121103 1081721899 /nfs/dbraw/zinc/72/18/99/1081721899.db2.gz GTXNTDGAWOPOJU-UHFFFAOYSA-N 1 0 310.357 3.270 20 5 DGBDRO CCCC[NH+](CCCC)CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC001156905347 1081917892 /nfs/dbraw/zinc/91/78/92/1081917892.db2.gz JNKPCZMNYZLVCJ-UHFFFAOYSA-N 1 0 309.414 3.007 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170297821 1082338199 /nfs/dbraw/zinc/33/81/99/1082338199.db2.gz SRMUROWLSRHNDE-LBPRGKRZSA-N 1 0 316.357 3.030 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC001170296721 1082338428 /nfs/dbraw/zinc/33/84/28/1082338428.db2.gz HWKOJSHRGKQSSE-GHMZBOCLSA-N 1 0 321.402 3.342 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170297820 1082338464 /nfs/dbraw/zinc/33/84/64/1082338464.db2.gz SRMUROWLSRHNDE-GFCCVEGCSA-N 1 0 316.357 3.030 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC23CCCC3)c([N+](=O)[O-])c1 ZINC001170317888 1082345159 /nfs/dbraw/zinc/34/51/59/1082345159.db2.gz LPMFISFPNHMRBL-MLGOLLRUSA-N 1 0 304.390 3.457 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC23CCCC3)c([N+](=O)[O-])c1 ZINC001170317889 1082345466 /nfs/dbraw/zinc/34/54/66/1082345466.db2.gz LPMFISFPNHMRBL-WBMJQRKESA-N 1 0 304.390 3.457 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(C)(F)CC2)c([N+](=O)[O-])c1 ZINC001170330133 1082347437 /nfs/dbraw/zinc/34/74/37/1082347437.db2.gz ZBHSROJHRGZSQW-GFCCVEGCSA-N 1 0 310.369 3.358 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170328385 1082347477 /nfs/dbraw/zinc/34/74/77/1082347477.db2.gz KGZYQAZUCAFMTD-TZMCWYRMSA-N 1 0 310.369 3.358 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170344950 1082355110 /nfs/dbraw/zinc/35/51/10/1082355110.db2.gz FUAXASGGOCPGJJ-ZDUSSCGKSA-N 1 0 322.405 3.035 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc1Cl ZINC001157796925 1082424941 /nfs/dbraw/zinc/42/49/41/1082424941.db2.gz KVXOXTNPHGVICF-QWRGUYRKSA-N 1 0 312.801 3.236 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217947387 1082962205 /nfs/dbraw/zinc/96/22/05/1082962205.db2.gz RBQBJJKAGURVQC-MWLCHTKSSA-N 1 0 302.733 3.026 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2cnccc2o1 ZINC001181153352 1083421257 /nfs/dbraw/zinc/42/12/57/1083421257.db2.gz BWJYGLXEZMTQEQ-UHFFFAOYSA-N 1 0 311.341 3.411 20 5 DGBDRO Cc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(F)c1 ZINC001181555858 1083491428 /nfs/dbraw/zinc/49/14/28/1083491428.db2.gz PFJJFEBPFATJPM-UHFFFAOYSA-N 1 0 303.337 3.008 20 5 DGBDRO CCOc1cnc(NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001167751156 1083623108 /nfs/dbraw/zinc/62/31/08/1083623108.db2.gz IJUHOMYBKUHWQR-CYBMUJFWSA-N 1 0 322.409 3.065 20 5 DGBDRO C[C@H](C[N+](C)(C)C)OC(Cl)(Cl)c1cccc(Cl)n1 ZINC001222867327 1083848204 /nfs/dbraw/zinc/84/82/04/1083848204.db2.gz WEDFIYOBBGDRMG-SECBINFHSA-N 1 0 312.648 3.434 20 5 DGBDRO CCN(CCC[NH+](C)C)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001186131280 1084597235 /nfs/dbraw/zinc/59/72/35/1084597235.db2.gz LRFRKNWDCZPTOZ-UHFFFAOYSA-N 1 0 319.327 3.392 20 5 DGBDRO CC(C)Oc1nc(NCC[N@@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC001186681666 1084693352 /nfs/dbraw/zinc/69/33/52/1084693352.db2.gz VTHAHNDSCMNFJX-UHFFFAOYSA-N 1 0 322.409 3.063 20 5 DGBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001186763706 1084697888 /nfs/dbraw/zinc/69/78/88/1084697888.db2.gz HXFKTPMATBPTPX-NSHDSACASA-N 1 0 317.311 3.144 20 5 DGBDRO C[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CCC1(C)C ZINC001187189790 1084767853 /nfs/dbraw/zinc/76/78/53/1084767853.db2.gz IJJCMTYTWJYGHV-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H](OCC[N+](C)(C)C)c1c(F)cccc1Br ZINC001224773532 1087445905 /nfs/dbraw/zinc/44/59/05/1087445905.db2.gz JFJOICWIDWPCGT-SNVBAGLBSA-N 1 0 305.211 3.372 20 5 DGBDRO Cc1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001158268652 1087752286 /nfs/dbraw/zinc/75/22/86/1087752286.db2.gz PUZKUOWTGJIZEE-WBMJQRKESA-N 1 0 306.410 3.254 20 5 DGBDRO Cc1cc(NCC[C@H]2CCC[NH2+]2)nc2ccc([N+](=O)[O-])cc12 ZINC001158628313 1087951312 /nfs/dbraw/zinc/95/13/12/1087951312.db2.gz DIPNVBSCRMLQRB-GFCCVEGCSA-N 1 0 300.362 3.005 20 5 DGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC001159678925 1088441950 /nfs/dbraw/zinc/44/19/50/1088441950.db2.gz ISFHDWDZDMPTME-FMIVXFBMSA-N 1 0 309.369 3.366 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)C2CCCCC2)c(F)c1 ZINC001168519672 1088522558 /nfs/dbraw/zinc/52/25/58/1088522558.db2.gz NSQDWTPXDLIWMH-INIZCTEOSA-N 1 0 310.369 3.155 20 5 DGBDRO Cc1ccnc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001159947963 1088566120 /nfs/dbraw/zinc/56/61/20/1088566120.db2.gz QTRMTXOTEGHQAQ-LBPRGKRZSA-N 1 0 322.368 3.058 20 5 DGBDRO [NH3+]C1CN(c2cccc(Nc3ccc([N+](=O)[O-])cc3Cl)c2)C1 ZINC001159989257 1088591138 /nfs/dbraw/zinc/59/11/38/1088591138.db2.gz YDFYURCVWPCCSM-UHFFFAOYSA-N 1 0 318.764 3.139 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncc([N+](=O)[O-])cc3C)c2c1 ZINC001160005048 1088597357 /nfs/dbraw/zinc/59/73/57/1088597357.db2.gz XOBOOAZQLYYRBU-ZDUSSCGKSA-N 1 0 324.384 3.440 20 5 DGBDRO [NH3+]CCN(c1cc([N+](=O)[O-])ccn1)c1cccc2ccccc21 ZINC001154679952 1088708887 /nfs/dbraw/zinc/70/88/87/1088708887.db2.gz OWRXYHUPKPAYCJ-UHFFFAOYSA-N 1 0 308.341 3.240 20 5 DGBDRO Cc1ccc(Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)cc1[N+](=O)[O-] ZINC001160401277 1088787313 /nfs/dbraw/zinc/78/73/13/1088787313.db2.gz YRZILDULCHDEIZ-WBMJQRKESA-N 1 0 311.341 3.095 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001160963754 1089047968 /nfs/dbraw/zinc/04/79/68/1089047968.db2.gz HFQFAFYQOVMTQK-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO Cc1cnc(NCC2CC[NH+](CC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001161229432 1089161324 /nfs/dbraw/zinc/16/13/24/1089161324.db2.gz VJDQEZIUTUVHIC-UHFFFAOYSA-N 1 0 318.421 3.222 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H]2C[NH2+]Cc3ccsc32)n1 ZINC001155562449 1089166876 /nfs/dbraw/zinc/16/68/76/1089166876.db2.gz UQVJHUKFJCHFJP-JTQLQIEISA-N 1 0 324.793 3.270 20 5 DGBDRO [NH3+]C1(CC2CCC2)CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001161569562 1089291953 /nfs/dbraw/zinc/29/19/53/1089291953.db2.gz MMQFPFSWGAKZPY-UHFFFAOYSA-N 1 0 324.812 3.131 20 5 DGBDRO Cc1c(C)n(-c2ncc([N+](=O)[O-])cc2F)c2ccc(C[NH3+])cc12 ZINC001155902903 1089295732 /nfs/dbraw/zinc/29/57/32/1089295732.db2.gz YHQXQKNKXCXHSX-UHFFFAOYSA-N 1 0 314.320 3.148 20 5 DGBDRO CCC[NH+](CCC)CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001161923647 1089474709 /nfs/dbraw/zinc/47/47/09/1089474709.db2.gz GKZLOUAIUZTHER-UHFFFAOYSA-N 1 0 319.409 3.395 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001156386161 1089500451 /nfs/dbraw/zinc/50/04/51/1089500451.db2.gz POZZSWTWFPOVMA-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO [NH3+]CCc1nccn1-c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001156479029 1089541809 /nfs/dbraw/zinc/54/18/09/1089541809.db2.gz VOQPXDVQKFIVTM-UHFFFAOYSA-N 1 0 323.787 3.123 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001156495405 1089548219 /nfs/dbraw/zinc/54/82/19/1089548219.db2.gz CBVDWVLLGADVBL-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO [NH3+]Cc1cccn1-c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001156723751 1089664884 /nfs/dbraw/zinc/66/48/84/1089664884.db2.gz FHPHOITXEGJTAR-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@]2(CC3CC3)CCC[NH2+]2)n1 ZINC001162351166 1089691790 /nfs/dbraw/zinc/69/17/90/1089691790.db2.gz VGJSKUZSGNMVRL-OAHLLOKOSA-N 1 0 324.812 3.286 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001162402537 1089716702 /nfs/dbraw/zinc/71/67/02/1089716702.db2.gz TVDLFXWPBVYFRF-BDAKNGLRSA-N 1 0 319.283 3.175 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001162464994 1089747830 /nfs/dbraw/zinc/74/78/30/1089747830.db2.gz AXIFJMONAWAJQQ-GXTWGEPZSA-N 1 0 314.389 3.191 20 5 DGBDRO O=[N+]([O-])c1c(NC[C@@]2(F)CCCC[NH2+]C2)ccc2ncccc21 ZINC001162583989 1089807286 /nfs/dbraw/zinc/80/72/86/1089807286.db2.gz XCEYSYTYGMCIBR-MRXNPFEDSA-N 1 0 318.352 3.037 20 5 DGBDRO CCOc1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162848341 1089990727 /nfs/dbraw/zinc/99/07/27/1089990727.db2.gz HMNMOBSWBLCBNS-ZDUSSCGKSA-N 1 0 313.357 3.015 20 5 DGBDRO CCOc1cc(N2C[C@@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001162854481 1089992236 /nfs/dbraw/zinc/99/22/36/1089992236.db2.gz UIKBCXNHKPSLOK-ZDUSSCGKSA-N 1 0 313.357 3.015 20 5 DGBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cnc(F)c([N+](=O)[O-])c2)c1 ZINC001162907322 1090017519 /nfs/dbraw/zinc/01/75/19/1090017519.db2.gz BSPQCZMRZMVPCN-SECBINFHSA-N 1 0 300.293 3.093 20 5 DGBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CC=CC1 ZINC001157678618 1090071713 /nfs/dbraw/zinc/07/17/13/1090071713.db2.gz CWPNBSHGMXOFRQ-FQEVSTJZSA-N 1 0 316.404 3.261 20 5 DGBDRO c1ccc2c(c1)nc(N[C@@H]1COCCC13C[NH2+]C3)c1ccccc21 ZINC001163083488 1090071654 /nfs/dbraw/zinc/07/16/54/1090071654.db2.gz ZAGWPBVJJRDLAV-GOSISDBHSA-N 1 0 319.408 3.178 20 5 DGBDRO C[C@H]1[C@H]([NH3+])CCCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001157739683 1090092224 /nfs/dbraw/zinc/09/22/24/1090092224.db2.gz DQQZEGLNLWRMHW-JOYOIKCWSA-N 1 0 320.780 3.112 20 5 DGBDRO [NH3+]CC[C@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)c2ccccc21 ZINC001157744207 1090094194 /nfs/dbraw/zinc/09/41/94/1090094194.db2.gz IVENGUONSRBCQJ-NSHDSACASA-N 1 0 323.356 3.055 20 5 DGBDRO Cc1c(C)c(N2C[C@H](CC[NH3+])c3ccccc32)ncc1[N+](=O)[O-] ZINC001157745336 1090095367 /nfs/dbraw/zinc/09/53/67/1090095367.db2.gz MFCGTFPHUIXNPG-ZDUSSCGKSA-N 1 0 312.373 3.191 20 5 DGBDRO CC(C)N(c1ccc2ccc([N+](=O)[O-])cc2n1)C(C)(C)C[NH3+] ZINC001163186752 1090105812 /nfs/dbraw/zinc/10/58/12/1090105812.db2.gz MRNSJBMEKGFRKW-UHFFFAOYSA-N 1 0 302.378 3.095 20 5 DGBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163228609 1090126418 /nfs/dbraw/zinc/12/64/18/1090126418.db2.gz LPKIBEHZWOICBI-GFCCVEGCSA-N 1 0 319.386 3.230 20 5 DGBDRO [NH3+]C[C@@H](Nc1nccc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC001163297622 1090142071 /nfs/dbraw/zinc/14/20/71/1090142071.db2.gz GJNNAUMWCBHAGX-MRXNPFEDSA-N 1 0 308.341 3.255 20 5 DGBDRO O=[N+]([O-])c1cccc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC001163314183 1090147626 /nfs/dbraw/zinc/14/76/26/1090147626.db2.gz CKEAXFMTBFSFOT-AWEZNQCLSA-N 1 0 316.405 3.222 20 5 DGBDRO C[NH+](C)C1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)C1 ZINC001163940136 1090292190 /nfs/dbraw/zinc/29/21/90/1090292190.db2.gz CQNHWPBNKBYFFR-UHFFFAOYSA-N 1 0 312.804 3.187 20 5 DGBDRO CC(C)[N@@H+]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)C[C@H]1C ZINC001165199164 1090477683 /nfs/dbraw/zinc/47/76/83/1090477683.db2.gz KIDGMSLKJGNPIG-CYBMUJFWSA-N 1 0 314.389 3.062 20 5 DGBDRO CCOc1cc([N+](=O)[O-])ccc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165278763 1090495351 /nfs/dbraw/zinc/49/53/51/1090495351.db2.gz LJCVZIQABCRJRQ-ZDUSSCGKSA-N 1 0 307.394 3.137 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC001168601879 1090598850 /nfs/dbraw/zinc/59/88/50/1090598850.db2.gz ZRWAQNFXPYIUCF-HOCLYGCPSA-N 1 0 314.389 3.428 20 5 DGBDRO COc1cc(C)c([N+](=O)[O-])cc1NCC1CC[NH+](C(C)C)CC1 ZINC001166622890 1090631348 /nfs/dbraw/zinc/63/13/48/1090631348.db2.gz JYRBVVYRUWJENX-UHFFFAOYSA-N 1 0 321.421 3.444 20 5 DGBDRO C[NH2+]Cc1cccc(Nc2cnc3cc([N+](=O)[O-])ccc3n2)c1 ZINC001167033542 1090699478 /nfs/dbraw/zinc/69/94/78/1090699478.db2.gz WKKIGJDSYJIMQD-UHFFFAOYSA-N 1 0 309.329 3.001 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CCCS1 ZINC001203276246 1090710691 /nfs/dbraw/zinc/71/06/91/1090710691.db2.gz KOCSMHCETAIBMF-AWEZNQCLSA-N 1 0 310.419 3.369 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2cccc3[nH]c(=O)oc32)cc1[N+](=O)[O-] ZINC001203409512 1090731284 /nfs/dbraw/zinc/73/12/84/1090731284.db2.gz ZQLUQIVTPICDOP-UHFFFAOYSA-N 1 0 313.313 3.040 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2cc3ccccc3[nH]c2=O)cc1[N+](=O)[O-] ZINC001203415899 1090732484 /nfs/dbraw/zinc/73/24/84/1090732484.db2.gz VQBDVHYWCXPRTJ-UHFFFAOYSA-N 1 0 323.352 3.447 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccc2[nH]cnc2c1)c1ccccc1[N+](=O)[O-] ZINC001203863955 1090822421 /nfs/dbraw/zinc/82/24/21/1090822421.db2.gz JKQJXOJZOUDESB-LBPRGKRZSA-N 1 0 310.357 3.364 20 5 DGBDRO CC1=CCC[C@@H](C)[C@@H]1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001205709284 1091317993 /nfs/dbraw/zinc/31/79/93/1091317993.db2.gz WNVMIIAYLUXIFJ-HUUCEWRRSA-N 1 0 303.406 3.352 20 5 DGBDRO C[NH+](C)CCO[C@@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001206285200 1091561765 /nfs/dbraw/zinc/56/17/65/1091561765.db2.gz CCGOESJUPAIRQB-KRWDZBQOSA-N 1 0 300.358 3.262 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001168769762 1091749450 /nfs/dbraw/zinc/74/94/50/1091749450.db2.gz ZFRPYYHKZFBOJZ-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001207449128 1091971779 /nfs/dbraw/zinc/97/17/79/1091971779.db2.gz PPVDIPQCVPCASG-ZFWWWQNUSA-N 1 0 306.406 3.321 20 5 DGBDRO COc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC2)cc1 ZINC001168977667 1092457379 /nfs/dbraw/zinc/45/73/79/1092457379.db2.gz LBKMKYUDEMIZKF-XGWLTEMNSA-N 1 0 304.390 3.181 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2cccnc2)C1 ZINC001168980409 1092458844 /nfs/dbraw/zinc/45/88/44/1092458844.db2.gz DHZUSEVPHOBGTG-YOEHRIQHSA-N 1 0 311.385 3.284 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)C1 ZINC001168982021 1092461042 /nfs/dbraw/zinc/46/10/42/1092461042.db2.gz HYJYBSRHFCGLAM-QAPCUYQASA-N 1 0 311.385 3.284 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC001168985198 1092462472 /nfs/dbraw/zinc/46/24/72/1092462472.db2.gz RNRMXULVZQMUAF-TZMCWYRMSA-N 1 0 317.414 3.345 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC001168957357 1092462755 /nfs/dbraw/zinc/46/27/55/1092462755.db2.gz GIYUOROXKWULIG-ZYHUDNBSSA-N 1 0 302.296 3.240 20 5 DGBDRO Cc1cc(C)cc(OC[C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168962797 1092466382 /nfs/dbraw/zinc/46/63/82/1092466382.db2.gz MZXBBQBZDZSCPY-ARFHVFGLSA-N 1 0 306.406 3.106 20 5 DGBDRO Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168961879 1092466583 /nfs/dbraw/zinc/46/65/83/1092466583.db2.gz KQMXGSFIKYDIIL-UKRRQHHQSA-N 1 0 301.390 3.069 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCOc2cccc(Cl)c2)C1 ZINC001168966916 1092468461 /nfs/dbraw/zinc/46/84/61/1092468461.db2.gz MFDSYACIMDNJOY-JSGCOSHPSA-N 1 0 312.797 3.144 20 5 DGBDRO Cc1ccc(F)c(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1Cl ZINC001168967642 1092470687 /nfs/dbraw/zinc/47/06/87/1092470687.db2.gz RTAKPTCHTNGQNF-MNOVXSKESA-N 1 0 300.761 3.323 20 5 DGBDRO COc1cccc(C2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001168992911 1092477649 /nfs/dbraw/zinc/47/76/49/1092477649.db2.gz LJURFNXKARCITM-DZGCQCFKSA-N 1 0 304.390 3.109 20 5 DGBDRO [NH3+]CCc1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2cc(Cl)ccc12 ZINC001168998861 1092479245 /nfs/dbraw/zinc/47/92/45/1092479245.db2.gz QRCANDMUBVEQTP-BXUZGUMPSA-N 1 0 321.808 3.414 20 5 DGBDRO COc1cccc(CC2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001168999894 1092481589 /nfs/dbraw/zinc/48/15/89/1092481589.db2.gz WBLPOTGUSCDWNX-JKSUJKDBSA-N 1 0 318.417 3.195 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001168988393 1092491993 /nfs/dbraw/zinc/49/19/93/1092491993.db2.gz RVEZEZKAOLTFKR-XFBWCDHKSA-N 1 0 308.809 3.232 20 5 DGBDRO [NH3+]Cc1ccc(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)c(C(F)(F)F)c1 ZINC001168988128 1092492764 /nfs/dbraw/zinc/49/27/64/1092492764.db2.gz OBQOKGNTZCNKNB-QWRGUYRKSA-N 1 0 317.311 3.021 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2c3ccc(F)cc3c3c2C[NH2+]CC3)C1 ZINC001169045576 1092496521 /nfs/dbraw/zinc/49/65/21/1092496521.db2.gz JMDSLLMNFITODF-DGCLKSJQSA-N 1 0 317.364 3.044 20 5 DGBDRO Cc1cccc(OC2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169037063 1092498507 /nfs/dbraw/zinc/49/85/07/1092498507.db2.gz INRLAFRDMUESJR-HOTGVXAUSA-N 1 0 318.417 3.284 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](OCc3ccccc3)C2)C1 ZINC001169040209 1092501645 /nfs/dbraw/zinc/50/16/45/1092501645.db2.gz YTMPUIPXTUKFAG-KZNAEPCWSA-N 1 0 318.417 3.113 20 5 DGBDRO Cc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169025028 1092505797 /nfs/dbraw/zinc/50/57/97/1092505797.db2.gz IMMOQLVMTRPFEN-XYJFISCASA-N 1 0 318.417 3.284 20 5 DGBDRO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049185 1092509951 /nfs/dbraw/zinc/50/99/51/1092509951.db2.gz WHQWQHNCQGPNKY-HYVNUMGLSA-N 1 0 318.417 3.415 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001169141186 1092555545 /nfs/dbraw/zinc/55/55/45/1092555545.db2.gz AWIIOMUDGNCRDO-LRDDRELGSA-N 1 0 306.410 3.254 20 5 DGBDRO Cc1cc(C)c(-n2ncc3c2cccc3C[NH3+])c(C)c1[N+](=O)[O-] ZINC001169191384 1092580889 /nfs/dbraw/zinc/58/08/89/1092580889.db2.gz FLXKKXMKZVOQAF-UHFFFAOYSA-N 1 0 310.357 3.318 20 5 DGBDRO C[C@@H]([NH3+])c1ccn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC001169234979 1092605187 /nfs/dbraw/zinc/60/51/87/1092605187.db2.gz NBKKNMIIRNDYGE-GFCCVEGCSA-N 1 0 308.341 3.467 20 5 DGBDRO COc1c[nH+]ccc1Nc1cccc2nc3ccccc3nc21 ZINC001211263710 1093435354 /nfs/dbraw/zinc/43/53/54/1093435354.db2.gz FMQXJTMSOGEJMY-UHFFFAOYSA-N 1 0 302.337 3.352 20 5 DGBDRO O=[N+]([O-])c1cc(F)cc(Nc2cc[nH+]c(N3CCCC3)c2)c1 ZINC001216482249 1094205980 /nfs/dbraw/zinc/20/59/80/1094205980.db2.gz DCDJLYUSMYJLHZ-UHFFFAOYSA-N 1 0 302.309 3.473 20 5 DGBDRO Cc1ccc(Cl)cc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001120560871 1094455320 /nfs/dbraw/zinc/45/53/20/1094455320.db2.gz JYHJGNBDMXSKFA-INIZCTEOSA-N 1 0 320.776 3.380 20 5 DGBDRO F[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001217952320 1094527421 /nfs/dbraw/zinc/52/74/21/1094527421.db2.gz UUKRHXNPBOKWNN-ACJLOTCBSA-N 1 0 311.360 3.252 20 5 DGBDRO CC(C)(C)c1ccc(O[C@@H]2CC[NH2+]CC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001218013487 1094558877 /nfs/dbraw/zinc/55/88/77/1094558877.db2.gz RPOKXRHNBJUXQP-GXTWGEPZSA-N 1 0 310.369 3.361 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]CC[C@@H]2F)ccc1C(F)(F)F ZINC001218013582 1094559854 /nfs/dbraw/zinc/55/98/54/1094559854.db2.gz BYMRJZBORYGTNM-JQWIXIFHSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CC[NH2+]CC[C@H]2F)c(Cl)c1 ZINC001218015713 1094561027 /nfs/dbraw/zinc/56/10/27/1094561027.db2.gz MPLSWYWOLUKOSU-MNOVXSKESA-N 1 0 323.151 3.371 20 5 DGBDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@H]2F)c([N+](=O)[O-])cc1Cl ZINC001218017074 1094562381 /nfs/dbraw/zinc/56/23/81/1094562381.db2.gz HLKSUZCPAWOVNF-PWSUYJOCSA-N 1 0 302.733 3.026 20 5 DGBDRO O=[N+]([O-])c1c(O[C@@H]2CC[NH2+]CC[C@@H]2F)ccc2ccccc21 ZINC001218018096 1094562993 /nfs/dbraw/zinc/56/29/93/1094562993.db2.gz MAYNXLRMROTPCW-UONOGXRCSA-N 1 0 304.321 3.217 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001218025169 1094566089 /nfs/dbraw/zinc/56/60/89/1094566089.db2.gz REZDLHBLTQIHDV-SKDRFNHKSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1C[C@@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1 ZINC001218049274 1094577187 /nfs/dbraw/zinc/57/71/87/1094577187.db2.gz KGXPWOMPKPLTAA-WPRPVWTQSA-N 1 0 304.268 3.133 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC1CC2(C1)CC[NH2+]C2 ZINC001218059774 1094580121 /nfs/dbraw/zinc/58/01/21/1094580121.db2.gz BTDOAJLBKRSURR-UHFFFAOYSA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3CC[NH2+]C[C@@H]3F)cc2)cc1 ZINC001218064559 1094582458 /nfs/dbraw/zinc/58/24/58/1094582458.db2.gz MOFBVWHJYOTXNF-DLBZAZTESA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218090271 1094595020 /nfs/dbraw/zinc/59/50/20/1094595020.db2.gz MLGCZIWENQWRNP-ZIAGYGMSSA-N 1 0 314.744 3.298 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218094977 1094600295 /nfs/dbraw/zinc/60/02/95/1094600295.db2.gz XYIXHOBNEXGFSQ-ZIAGYGMSSA-N 1 0 314.744 3.298 20 5 DGBDRO Cc1cc(OC2CC3(C2)CC[NH2+]CC3)c(C)c(C)c1[N+](=O)[O-] ZINC001218106844 1094607919 /nfs/dbraw/zinc/60/79/19/1094607919.db2.gz WUUACZKLXSGXQU-UHFFFAOYSA-N 1 0 304.390 3.431 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218113666 1094610484 /nfs/dbraw/zinc/61/04/84/1094610484.db2.gz CMAZAMBODSACCC-STQMWFEESA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3C[C@H]4C[C@@H]3C[NH2+]4)cc2)cc1 ZINC001218141546 1094628509 /nfs/dbraw/zinc/62/85/09/1094628509.db2.gz UEOOWQACICVBNA-RKVPGOIHSA-N 1 0 310.353 3.391 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)cc1 ZINC001218148900 1094633296 /nfs/dbraw/zinc/63/32/96/1094633296.db2.gz FKBZSSGKCWPJJL-UOIKSKOESA-N 1 0 310.353 3.249 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2CCC23C[NH2+]C3)cc1 ZINC001218245168 1094678468 /nfs/dbraw/zinc/67/84/68/1094678468.db2.gz WLJKXGNFKFXJLX-KRWDZBQOSA-N 1 0 310.353 3.393 20 5 DGBDRO c1ccc2nc3cc(O[C@@H]4C[C@H]5CC[NH2+][C@@H]5C4)ccc3nc2c1 ZINC001218252719 1094682527 /nfs/dbraw/zinc/68/25/27/1094682527.db2.gz UUNWNVHYZDECCT-RVZJWNSFSA-N 1 0 305.381 3.302 20 5 DGBDRO F[C@H]1[C@H]2CC[C@@H](C[C@H]1Oc1cccc3nc4ccccc4nc31)[NH2+]2 ZINC001218270420 1094690060 /nfs/dbraw/zinc/69/00/60/1094690060.db2.gz JLTPAHAFLHBBQS-AOYRSGHYSA-N 1 0 323.371 3.393 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)cc2)c1 ZINC001218331897 1094722175 /nfs/dbraw/zinc/72/21/75/1094722175.db2.gz UTANPHHMTFOGOW-ZTFGCOKTSA-N 1 0 310.353 3.249 20 5 DGBDRO Oc1c2ccccc2c(OCCO[C@@H]2CC[NH2+]C2)c2ccccc12 ZINC001218386904 1094743526 /nfs/dbraw/zinc/74/35/26/1094743526.db2.gz JAWHPDIDVLTHBZ-CQSZACIVSA-N 1 0 323.392 3.456 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001218412792 1094761907 /nfs/dbraw/zinc/76/19/07/1094761907.db2.gz GIJKPONRFDFKKD-HQJQHLMTSA-N 1 0 305.161 3.278 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001218420703 1094766099 /nfs/dbraw/zinc/76/60/99/1094766099.db2.gz UKRFZIWFXYAWEV-CPCISQLKSA-N 1 0 305.161 3.278 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001218421323 1094766576 /nfs/dbraw/zinc/76/65/76/1094766576.db2.gz HFYXHZZKCOWZCU-RDDDGLTNSA-N 1 0 305.161 3.278 20 5 DGBDRO O=[N+]([O-])c1ccsc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001336898759 1094776499 /nfs/dbraw/zinc/77/64/99/1094776499.db2.gz JNOMQOGMWXQGPQ-UHFFFAOYSA-N 1 0 304.375 3.132 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3[C@@H]4CC[C@H]3[NH2+]C4)cc2)c1 ZINC001218444717 1094778245 /nfs/dbraw/zinc/77/82/45/1094778245.db2.gz LKIHBYQYEDRHQD-OLMNPRSZSA-N 1 0 310.353 3.391 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001218444471 1094779077 /nfs/dbraw/zinc/77/90/77/1094779077.db2.gz IVOOBDNUWYPWIP-QBIMZIAESA-N 1 0 310.353 3.391 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(F)cc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218483932 1094807470 /nfs/dbraw/zinc/80/74/70/1094807470.db2.gz AZOZLBZKERWWOP-HNNXBMFYSA-N 1 0 306.268 3.096 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(O[C@@H]3C[NH2+]Cc4ccccc43)c2c1 ZINC001218488936 1094815737 /nfs/dbraw/zinc/81/57/37/1094815737.db2.gz NLJKGIGKXAKBPP-QGZVFWFLSA-N 1 0 321.336 3.366 20 5 DGBDRO Cc1cc(F)c(O[C@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC001218492975 1094820149 /nfs/dbraw/zinc/82/01/49/1094820149.db2.gz FVQAGUWAEQEDTE-INIZCTEOSA-N 1 0 302.305 3.266 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(O[C@H]3C[NH2+]Cc4ccccc43)nc21 ZINC001218491515 1094820325 /nfs/dbraw/zinc/82/03/25/1094820325.db2.gz VAQAPSCMAYIFDP-INIZCTEOSA-N 1 0 321.336 3.366 20 5 DGBDRO C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001218979108 1094918788 /nfs/dbraw/zinc/91/87/88/1094918788.db2.gz HTNGCOUOHRHPHT-BLLLJJGKSA-N 1 0 320.396 3.110 20 5 DGBDRO O=C(C[C@H]1CCC[NH2+]C1)Nc1cc2cccnc2c2ncccc12 ZINC001218979902 1094920582 /nfs/dbraw/zinc/92/05/82/1094920582.db2.gz KWNIOIZCMDYJGF-CYBMUJFWSA-N 1 0 320.396 3.111 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001222767348 1095747515 /nfs/dbraw/zinc/74/75/15/1095747515.db2.gz KLVXXPGVHFQEIZ-AWEZNQCLSA-N 1 0 308.442 3.253 20 5 DGBDRO O=[N+]([O-])c1ccc(COC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001222791848 1095755863 /nfs/dbraw/zinc/75/58/63/1095755863.db2.gz XLXMUSRCRNIWKX-UHFFFAOYSA-N 1 0 313.357 3.175 20 5 DGBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)[C@@H]2C1 ZINC001340000446 1095807396 /nfs/dbraw/zinc/80/73/96/1095807396.db2.gz WVAKQUVFZBNNQH-BHYNMZESSA-N 1 0 311.332 3.285 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)OC(Cl)(Cl)c1ccc(Cl)nc1 ZINC001223064013 1095852099 /nfs/dbraw/zinc/85/20/99/1095852099.db2.gz HZXNZYLKLRJLIA-VIFPVBQESA-N 1 0 312.648 3.434 20 5 DGBDRO C[C@H](C[N+](C)(C)C)OC(Cl)(Cl)c1ccc(Cl)nc1 ZINC001223064010 1095852729 /nfs/dbraw/zinc/85/27/29/1095852729.db2.gz HZXNZYLKLRJLIA-SECBINFHSA-N 1 0 312.648 3.434 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001118486542 1096021252 /nfs/dbraw/zinc/02/12/52/1096021252.db2.gz HBWOGNXDZTVDSH-MAZHCROVSA-N 1 0 321.421 3.127 20 5 DGBDRO CCC1([NH3+])CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC001119315628 1096163240 /nfs/dbraw/zinc/16/32/40/1096163240.db2.gz PBXLWPZUGJCKCZ-UHFFFAOYSA-N 1 0 319.405 3.062 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001119401624 1096189639 /nfs/dbraw/zinc/18/96/39/1096189639.db2.gz FRVRPAZXWJEQTL-UHFFFAOYSA-N 1 0 314.389 3.110 20 5 DGBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1c(CC[NH3+])cc2ccccc21 ZINC001171303920 1096221906 /nfs/dbraw/zinc/22/19/06/1096221906.db2.gz IPJNODQWUKIBKD-UHFFFAOYSA-N 1 0 313.332 3.487 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1NC[C@H]1CCCC[NH2+]1 ZINC001171327570 1096337585 /nfs/dbraw/zinc/33/75/85/1096337585.db2.gz GPDLAYWHPYDOCH-CQSZACIVSA-N 1 0 312.373 3.211 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC001225382775 1096414480 /nfs/dbraw/zinc/41/44/80/1096414480.db2.gz RTNYJVVWRMHFID-OAHLLOKOSA-N 1 0 316.332 3.387 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cccnc2c1Br ZINC001225390868 1096417175 /nfs/dbraw/zinc/41/71/75/1096417175.db2.gz GZFQTWOTGVYUMK-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO O=[N+]([O-])c1cccnc1O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001225592810 1096475897 /nfs/dbraw/zinc/47/58/97/1096475897.db2.gz IMWRPOUOAUKKOF-OAHLLOKOSA-N 1 0 313.357 3.033 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC[C@H]1CCCC[NH2+]1 ZINC001171341939 1096478689 /nfs/dbraw/zinc/47/86/89/1096478689.db2.gz ZZXJFXGUKAADEK-CYBMUJFWSA-N 1 0 307.394 3.244 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(OC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001225683015 1096504112 /nfs/dbraw/zinc/50/41/12/1096504112.db2.gz OWXQOADRRHTBRU-UHFFFAOYSA-N 1 0 313.357 3.346 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)cc(F)cc1Br ZINC001225850409 1096545698 /nfs/dbraw/zinc/54/56/98/1096545698.db2.gz IPXRFFCCGBZSAW-QMMMGPOBSA-N 1 0 309.174 3.201 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001226006316 1096586841 /nfs/dbraw/zinc/58/68/41/1096586841.db2.gz BUTXURJAOHDWTO-UHFFFAOYSA-N 1 0 317.320 3.177 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001226194611 1096634684 /nfs/dbraw/zinc/63/46/84/1096634684.db2.gz DCBMRGAFSMKYQC-SECBINFHSA-N 1 0 304.749 3.496 20 5 DGBDRO CC(=O)c1ccc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226291511 1096654613 /nfs/dbraw/zinc/65/46/13/1096654613.db2.gz DRDPXZAXXAPABM-CQSZACIVSA-N 1 0 306.362 3.049 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1cccc([N+](=O)[O-])c1 ZINC001226768576 1096771816 /nfs/dbraw/zinc/77/18/16/1096771816.db2.gz PZDSQTOUJYSPAU-KSSFIOAISA-N 1 0 312.369 3.494 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC001226908512 1096812030 /nfs/dbraw/zinc/81/20/30/1096812030.db2.gz JCIKUAMTPSNPFI-SECBINFHSA-N 1 0 302.733 3.250 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2cc(Br)ccc2o1 ZINC001227098902 1096868567 /nfs/dbraw/zinc/86/85/67/1096868567.db2.gz QSOLAAUSLZCYSL-VIFPVBQESA-N 1 0 314.203 3.064 20 5 DGBDRO COC(=O)c1ccc2cc(O[C@@H](C)C[N+](C)(C)C)ccc2c1 ZINC001227153137 1096881150 /nfs/dbraw/zinc/88/11/50/1096881150.db2.gz SZEOIKIENJPMNJ-ZDUSSCGKSA-N 1 0 302.394 3.100 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001227155006 1096882085 /nfs/dbraw/zinc/88/20/85/1096882085.db2.gz XXYZYRNPMTWZDF-SECBINFHSA-N 1 0 302.733 3.250 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC001227154835 1096882449 /nfs/dbraw/zinc/88/24/49/1096882449.db2.gz USRKTOSMGYECGC-MYJAWHEDSA-N 1 0 314.744 3.391 20 5 DGBDRO CCOC(=O)c1cc2ccccc2cc1O[C@H](C)C[N+](C)(C)C ZINC001227213206 1096895925 /nfs/dbraw/zinc/89/59/25/1096895925.db2.gz SZTLZRHSGSTZKR-CQSZACIVSA-N 1 0 316.421 3.490 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cccc(Br)c2n1 ZINC001227287558 1096911807 /nfs/dbraw/zinc/91/18/07/1096911807.db2.gz PTQDLYZIMWSDSH-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227467669 1096938039 /nfs/dbraw/zinc/93/80/39/1096938039.db2.gz UQJVAGOAJFJNRA-UHFFFAOYSA-N 1 0 323.349 3.145 20 5 DGBDRO CCCCOCc1ccc(O[C@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001227498984 1096942001 /nfs/dbraw/zinc/94/20/01/1096942001.db2.gz SCQPYLSPNAJLEN-OAHLLOKOSA-N 1 0 310.458 3.485 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c(Br)ccnc12 ZINC001227931083 1097015690 /nfs/dbraw/zinc/01/56/90/1097015690.db2.gz DHUSDWTWPDOYGI-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])cc(F)c2F)CC1 ZINC001228017577 1097033222 /nfs/dbraw/zinc/03/32/22/1097033222.db2.gz WWLOJTGBMKNXPZ-HOMQSWHASA-N 1 0 300.305 3.125 20 5 DGBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001228135483 1097059814 /nfs/dbraw/zinc/05/98/14/1097059814.db2.gz HPUSYTALBOLXEA-UHFFFAOYSA-N 1 0 301.346 3.006 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228138565 1097060543 /nfs/dbraw/zinc/06/05/43/1097060543.db2.gz MHIDCGXWAFKZQZ-ZDUSSCGKSA-N 1 0 315.373 3.395 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001228256821 1097082595 /nfs/dbraw/zinc/08/25/95/1097082595.db2.gz BJHBPJYWAWDYQM-HBYGRHMLSA-N 1 0 310.781 3.357 20 5 DGBDRO Cc1c(Cl)c(=O)oc2cc(O[C@@H](C)C[N+](C)(C)C)ccc12 ZINC001228509766 1097132830 /nfs/dbraw/zinc/13/28/30/1097132830.db2.gz UKRQYGVLBAJZST-JTQLQIEISA-N 1 0 310.801 3.228 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001228935961 1097221025 /nfs/dbraw/zinc/22/10/25/1097221025.db2.gz MDUPVFXIIWNQPJ-SECBINFHSA-N 1 0 307.292 3.087 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229007368 1097235300 /nfs/dbraw/zinc/23/53/00/1097235300.db2.gz HIANMNFDGXVQJY-AWEZNQCLSA-N 1 0 301.346 3.005 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ncc(Br)cc2c1 ZINC001229130411 1097261596 /nfs/dbraw/zinc/26/15/96/1097261596.db2.gz QNYHCWWTWDDTKG-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO C[C@@]1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC[C@@H](O)CC1 ZINC001172900446 1097268115 /nfs/dbraw/zinc/26/81/15/1097268115.db2.gz DVDHIPDFGPZBMI-KBAYOESNSA-N 1 0 318.417 3.125 20 5 DGBDRO NC(=[NH2+])N(c1ccccc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902093 1097268471 /nfs/dbraw/zinc/26/84/71/1097268471.db2.gz VAYMAYDWFWSYND-MRXNPFEDSA-N 1 0 324.384 3.242 20 5 DGBDRO C[C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172905057 1097269050 /nfs/dbraw/zinc/26/90/50/1097269050.db2.gz QIOGERXBNWTCRA-XJKSGUPXSA-N 1 0 316.401 3.143 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@]13CCCOC3)CC2 ZINC001172906006 1097269435 /nfs/dbraw/zinc/26/94/35/1097269435.db2.gz LSOGEVJDYMDDQC-NXHRZFHOSA-N 1 0 316.401 3.001 20 5 DGBDRO CC(=O)[C@H]1CCCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919709 1097280704 /nfs/dbraw/zinc/28/07/04/1097280704.db2.gz HGASYRHFVVPJFW-FUHWJXTLSA-N 1 0 316.401 3.286 20 5 DGBDRO C[N@H+](C[C@@H]1CCCCO1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914141 1097292148 /nfs/dbraw/zinc/29/21/48/1097292148.db2.gz CZGYDBZMOKUIHY-AEFFLSMTSA-N 1 0 318.417 3.343 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1Cc1ccccc1O ZINC001229567568 1097346532 /nfs/dbraw/zinc/34/65/32/1097346532.db2.gz ZRPWZLOWGWUGGV-OAHLLOKOSA-O 1 0 300.422 3.457 20 5 DGBDRO CCCCCc1ccc(C)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229594433 1097350366 /nfs/dbraw/zinc/35/03/66/1097350366.db2.gz PHTDMFAKBHYGJK-QGZVFWFLSA-N 1 0 322.469 3.090 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H](F)C[C@H]2C)c1F ZINC001173178298 1097355816 /nfs/dbraw/zinc/35/58/16/1097355816.db2.gz AERZWZUFQUJCHI-VWYCJHECSA-N 1 0 314.332 3.106 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)c2ccno2)c1F ZINC001173186354 1097356596 /nfs/dbraw/zinc/35/65/96/1097356596.db2.gz RLUOTFDJPRDVHG-NXEZZACHSA-N 1 0 323.324 3.012 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C2CC(C)C2)c1F ZINC001173181373 1097356866 /nfs/dbraw/zinc/35/68/66/1097356866.db2.gz PEWVGQSUPGMHIP-MOENNCHZSA-N 1 0 310.369 3.404 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)c1F ZINC001173189335 1097357737 /nfs/dbraw/zinc/35/77/37/1097357737.db2.gz OKNONFWKQXTBQV-GFQSEFKGSA-N 1 0 322.380 3.452 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC001173215088 1097366798 /nfs/dbraw/zinc/36/67/98/1097366798.db2.gz RTJFMCJYDNMBHT-GUYCJALGSA-N 1 0 312.369 3.119 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COCc2ccccc21 ZINC001173215901 1097367585 /nfs/dbraw/zinc/36/75/85/1097367585.db2.gz AWFJTXMSGWEEIG-UGSOOPFHSA-N 1 0 312.369 3.387 20 5 DGBDRO Cc1cccnc1CCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216108 1097367888 /nfs/dbraw/zinc/36/78/88/1097367888.db2.gz KMDIRGGJBFYKOL-HNNXBMFYSA-N 1 0 313.401 3.452 20 5 DGBDRO CC(=O)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001173218070 1097369400 /nfs/dbraw/zinc/36/94/00/1097369400.db2.gz OEOMYUXPJMVFBE-ACJLOTCBSA-N 1 0 312.369 3.446 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncc(Cl)c1 ZINC001173219617 1097370577 /nfs/dbraw/zinc/37/05/77/1097370577.db2.gz OIUIPFAZSVUPRT-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C2CCOCC2)CC1 ZINC001173218911 1097370602 /nfs/dbraw/zinc/37/06/02/1097370602.db2.gz SXLFKXZTGXYKQR-ZDUSSCGKSA-N 1 0 304.390 3.075 20 5 DGBDRO CC(C)n1cnc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173220573 1097371109 /nfs/dbraw/zinc/37/11/09/1097371109.db2.gz CZTAMVJVFBYBAH-ZDUSSCGKSA-N 1 0 302.378 3.093 20 5 DGBDRO CCOc1ccnc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173221228 1097371799 /nfs/dbraw/zinc/37/17/99/1097371799.db2.gz LTSPNRJFKRFSSW-CYBMUJFWSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001173221048 1097372469 /nfs/dbraw/zinc/37/24/69/1097372469.db2.gz FNCOXDVTQVTBHQ-DYVFJYSZSA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](C)(CO)CC1 ZINC001173222760 1097372958 /nfs/dbraw/zinc/37/29/58/1097372958.db2.gz VIHSPUJOALMLFV-YOEHRIQHSA-N 1 0 306.406 3.010 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](C)(CO)CC1 ZINC001173222757 1097373023 /nfs/dbraw/zinc/37/30/23/1097373023.db2.gz VIHSPUJOALMLFV-PBHICJAKSA-N 1 0 306.406 3.010 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(CC[NH3+])c1ccc(F)cc1 ZINC001173223003 1097373098 /nfs/dbraw/zinc/37/30/98/1097373098.db2.gz GKIJWEKLIIOYNA-ZDUSSCGKSA-N 1 0 317.364 3.130 20 5 DGBDRO CC(C)n1cncc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226163 1097375017 /nfs/dbraw/zinc/37/50/17/1097375017.db2.gz VOMIDHOESPKHAX-CYBMUJFWSA-N 1 0 302.378 3.093 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001173225500 1097375129 /nfs/dbraw/zinc/37/51/29/1097375129.db2.gz COKBSJVSRUOFRF-YJBOKZPZSA-N 1 0 317.433 3.086 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001173225740 1097375140 /nfs/dbraw/zinc/37/51/40/1097375140.db2.gz FSLGCJYKQWPJMC-PBHICJAKSA-N 1 0 311.385 3.410 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2cccnc2)CC1 ZINC001173230584 1097377142 /nfs/dbraw/zinc/37/71/42/1097377142.db2.gz RZEVKJAOQVDYKI-AWEZNQCLSA-N 1 0 311.385 3.286 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001173232384 1097377439 /nfs/dbraw/zinc/37/74/39/1097377439.db2.gz FUJDEJNHBRFWDR-AAEUAGOBSA-N 1 0 310.394 3.055 20 5 DGBDRO CCC1(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001173230824 1097377470 /nfs/dbraw/zinc/37/74/70/1097377470.db2.gz URHQFVYMZXRMGF-CQSZACIVSA-N 1 0 306.406 3.322 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(n2ccnc2)CC1 ZINC001173232861 1097377515 /nfs/dbraw/zinc/37/75/15/1097377515.db2.gz IMAQTQCIUIWJGQ-CQSZACIVSA-N 1 0 314.389 3.059 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cn2ccccc2n1 ZINC001173236182 1097380806 /nfs/dbraw/zinc/38/08/06/1097380806.db2.gz YRWDZGSOFJPLQH-CQSZACIVSA-N 1 0 324.384 3.006 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@](C)(O)c1ccccc1 ZINC001173208695 1097380933 /nfs/dbraw/zinc/38/09/33/1097380933.db2.gz AOOLUVBQILQBEC-KSSFIOAISA-N 1 0 314.385 3.023 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1ccc(F)cc1 ZINC001173212924 1097381389 /nfs/dbraw/zinc/38/13/89/1097381389.db2.gz CUPBIWAHDHIEJC-CYBMUJFWSA-N 1 0 318.348 3.334 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001173236261 1097381854 /nfs/dbraw/zinc/38/18/54/1097381854.db2.gz ZMVGYFUZGBTWEF-LFVTVUPYSA-N 1 0 317.433 3.131 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001229963274 1097418981 /nfs/dbraw/zinc/41/89/81/1097418981.db2.gz HTKDWISZIBMZLZ-HBYGRHMLSA-N 1 0 310.781 3.357 20 5 DGBDRO CCOC(=O)CCCc1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001230008466 1097428110 /nfs/dbraw/zinc/42/81/10/1097428110.db2.gz SYFHGGZGIKHWOV-OAHLLOKOSA-N 1 0 308.442 3.046 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001230491275 1097497137 /nfs/dbraw/zinc/49/71/37/1097497137.db2.gz MXDOFUJSZQUQHA-UHFFFAOYSA-N 1 0 323.349 3.063 20 5 DGBDRO COC(=O)C[C@@H](c1cccc(O[C@@H](C)C[N+](C)(C)C)c1)C(C)C ZINC001230998838 1097641772 /nfs/dbraw/zinc/64/17/72/1097641772.db2.gz GFLKGZCYEORIIF-MAUKXSAKSA-N 1 0 322.469 3.463 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)C1 ZINC001231331075 1097723626 /nfs/dbraw/zinc/72/36/26/1097723626.db2.gz FBZYHXHTKVUSEW-OAHLLOKOSA-N 1 0 324.380 3.154 20 5 DGBDRO CC[N@@H+]1CCCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219649 1097971631 /nfs/dbraw/zinc/97/16/31/1097971631.db2.gz XQHSJQWFAPLBDY-UHFFFAOYSA-N 1 0 320.440 3.311 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@]1(C)O ZINC001232218841 1097971821 /nfs/dbraw/zinc/97/18/21/1097971821.db2.gz MJBVIOMKKTYFJW-JLTOFOAXSA-N 1 0 321.424 3.376 20 5 DGBDRO CCC[NH+]1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232221764 1097973179 /nfs/dbraw/zinc/97/31/79/1097973179.db2.gz DTZUDEZFPIMPET-UHFFFAOYSA-N 1 0 320.440 3.311 20 5 DGBDRO C[N@@H+]1CCc2ccc(Nc3cc([N+](=O)[O-])ccc3F)cc2C1 ZINC001175737308 1098150953 /nfs/dbraw/zinc/15/09/53/1098150953.db2.gz NONZJKJWBOETMA-UHFFFAOYSA-N 1 0 301.321 3.465 20 5 DGBDRO CC(=O)c1cc(OC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001233497333 1098351388 /nfs/dbraw/zinc/35/13/88/1098351388.db2.gz DYXRRMOSBNMRLQ-UHFFFAOYSA-N 1 0 306.362 3.049 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cncc2ccc(Br)cc21 ZINC001233738067 1098419509 /nfs/dbraw/zinc/41/95/09/1098419509.db2.gz KQECHAPTWURCRA-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO CSCC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001176710408 1098423557 /nfs/dbraw/zinc/42/35/57/1098423557.db2.gz PFIDZNKQVRCANN-UHFFFAOYSA-N 1 0 324.446 3.439 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233770864 1098428135 /nfs/dbraw/zinc/42/81/35/1098428135.db2.gz RJKKVAQAXCJXGO-JTQLQIEISA-N 1 0 300.305 3.125 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2c3cccnc3ccc2[N+](=O)[O-])CC1 ZINC001233778276 1098430004 /nfs/dbraw/zinc/43/00/04/1098430004.db2.gz HNLUIIHAKKQMAA-GFCCVEGCSA-N 1 0 301.346 3.006 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233837176 1098440192 /nfs/dbraw/zinc/44/01/92/1098440192.db2.gz WAMCJEIYYRSNHI-CYBMUJFWSA-N 1 0 301.346 3.006 20 5 DGBDRO Cc1c(CNCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001177294873 1098505362 /nfs/dbraw/zinc/50/53/62/1098505362.db2.gz QHFAIRKDJYALLH-HUUCEWRRSA-N 1 0 319.449 3.361 20 5 DGBDRO COc1c(Br)cc(F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001234199129 1098512708 /nfs/dbraw/zinc/51/27/08/1098512708.db2.gz IRLCIZKLGJDOLY-VIFPVBQESA-N 1 0 321.210 3.070 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC001177896461 1098640841 /nfs/dbraw/zinc/64/08/41/1098640841.db2.gz CGFPJINSYBUJQU-ZFWWWQNUSA-N 1 0 306.406 3.359 20 5 DGBDRO CN1CCOC[C@@H]1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001179365486 1099084618 /nfs/dbraw/zinc/08/46/18/1099084618.db2.gz JILJREKGDPQGEG-SFHVURJKSA-N 1 0 320.436 3.413 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC001179673850 1099173861 /nfs/dbraw/zinc/17/38/61/1099173861.db2.gz XXIISFCUVXIZHG-INIZCTEOSA-N 1 0 322.405 3.024 20 5 DGBDRO O=[N+]([O-])CC[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC001193292915 1100724580 /nfs/dbraw/zinc/72/45/80/1100724580.db2.gz BOHKYHFPPGBGPC-UHFFFAOYSA-N 1 0 302.296 3.341 20 5 DGBDRO CC[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C ZINC001193603316 1100781721 /nfs/dbraw/zinc/78/17/21/1100781721.db2.gz BLSADXQOHXDQMW-NEPJUHHUSA-N 1 0 316.361 3.265 20 5 DGBDRO COC(=O)[C@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001197506140 1101586245 /nfs/dbraw/zinc/58/62/45/1101586245.db2.gz DPXAXHZPVHTRCR-GUTXKFCHSA-N 1 0 320.389 3.225 20 5 DGBDRO Cc1c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001198684605 1101957060 /nfs/dbraw/zinc/95/70/60/1101957060.db2.gz CAZYDESQTGBBLR-SJORKVTESA-N 1 0 304.390 3.437 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc3ccc(Cl)cn23)cc1 ZINC001199580807 1102160812 /nfs/dbraw/zinc/16/08/12/1102160812.db2.gz AOINSRKIGKHPNE-UHFFFAOYSA-N 1 0 316.748 3.186 20 5 DGBDRO O=[N+]([O-])c1cc(O)cc(Nc2c[nH+]ccc2N2CCCC2)c1 ZINC001199828217 1102227051 /nfs/dbraw/zinc/22/70/51/1102227051.db2.gz CPLVBSKOZMBMJK-UHFFFAOYSA-N 1 0 300.318 3.039 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C2(C[NH3+])CCCC2)n1 ZINC001326214563 1103237125 /nfs/dbraw/zinc/23/71/25/1103237125.db2.gz RJGPBDJQKWBDRG-UHFFFAOYSA-N 1 0 316.361 3.032 20 5 DGBDRO COc1ccc(CNC(=[NH2+])Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001326950187 1103486764 /nfs/dbraw/zinc/48/67/64/1103486764.db2.gz XHWRVBDFXIINLX-UHFFFAOYSA-N 1 0 314.345 3.048 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC001327159763 1103561522 /nfs/dbraw/zinc/56/15/22/1103561522.db2.gz XKQDAIUGPGPKGC-AWEZNQCLSA-N 1 0 324.352 3.042 20 5 DGBDRO CO[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001330624959 1104596904 /nfs/dbraw/zinc/59/69/04/1104596904.db2.gz IZQWUJMFMBIRNT-KRWDZBQOSA-N 1 0 318.348 3.254 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@]12CCC[NH2+]C2 ZINC001246653087 1104649907 /nfs/dbraw/zinc/64/99/07/1104649907.db2.gz QVWUPVHODGONHL-YJBOKZPZSA-N 1 0 317.433 3.134 20 5 DGBDRO Cc1cccc(-c2nc3ccccc3n2[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001247054935 1104788259 /nfs/dbraw/zinc/78/82/59/1104788259.db2.gz ZUZWTPJNIUUGRD-CYBMUJFWSA-N 1 0 322.368 3.454 20 5 DGBDRO C[NH2+][C@@H](C)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247491816 1104911968 /nfs/dbraw/zinc/91/19/68/1104911968.db2.gz RTANLCVLKBCLEG-JTQLQIEISA-N 1 0 305.341 3.113 20 5 DGBDRO Cc1cccc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001249342680 1105271527 /nfs/dbraw/zinc/27/15/27/1105271527.db2.gz PZTXJCLICKFHRD-OAHLLOKOSA-N 1 0 324.340 3.196 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001251761823 1105693064 /nfs/dbraw/zinc/69/30/64/1105693064.db2.gz QGWXXQWVHUPLMZ-JKSUJKDBSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[C@@H](F)C3)CC2)cc1 ZINC001254464046 1106076981 /nfs/dbraw/zinc/07/69/81/1106076981.db2.gz AMBHUPHSQWISCZ-OCCSQVGLSA-N 1 0 307.369 3.044 20 5 DGBDRO C[C@@]1(F)CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254474702 1106077901 /nfs/dbraw/zinc/07/79/01/1106077901.db2.gz TZJWBWBHGUDUBL-QGZVFWFLSA-N 1 0 321.396 3.388 20 5 DGBDRO C[N@H+](CC1CCC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479455 1106078722 /nfs/dbraw/zinc/07/87/22/1106078722.db2.gz ZWZAILRRHWBYCI-UHFFFAOYSA-N 1 0 303.406 3.296 20 5 DGBDRO Cc1ccn2c(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])cnc2c1 ZINC001254533273 1106095984 /nfs/dbraw/zinc/09/59/84/1106095984.db2.gz ZMIAUJFJTUVZSB-AWEZNQCLSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1Cl ZINC001254537834 1106097807 /nfs/dbraw/zinc/09/78/07/1106097807.db2.gz IBYKBRWRZPLGAZ-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1Cl ZINC001254537835 1106097837 /nfs/dbraw/zinc/09/78/37/1106097837.db2.gz IBYKBRWRZPLGAZ-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2cn(C)nc21 ZINC001254538213 1106098222 /nfs/dbraw/zinc/09/82/22/1106098222.db2.gz RKQHEGGUVGOHNC-CYBMUJFWSA-N 1 0 324.384 3.202 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(C)(C)N(O)C1(C)C ZINC001254541615 1106099545 /nfs/dbraw/zinc/09/95/45/1106099545.db2.gz ICDXMELSXYCWSQ-IUODEOHRSA-N 1 0 321.421 3.136 20 5 DGBDRO CCOC(=O)CC(C)(C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254546098 1106099594 /nfs/dbraw/zinc/09/95/94/1106099594.db2.gz FLVWNGBDGPWQAE-ZDUSSCGKSA-N 1 0 322.405 3.095 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC([NH3+])(CC2CC2)CC1 ZINC001254545391 1106100294 /nfs/dbraw/zinc/10/02/94/1106100294.db2.gz NEVPMSAGRJOXAG-AWEZNQCLSA-N 1 0 317.433 3.119 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@](C)(CO)c1ccccc1 ZINC001254547369 1106100392 /nfs/dbraw/zinc/10/03/92/1106100392.db2.gz HLQVSMPWDZQLRO-RDTXWAMCSA-N 1 0 314.385 3.023 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(Cc2cccnc2)CC1 ZINC001254549944 1106101223 /nfs/dbraw/zinc/10/12/23/1106101223.db2.gz YKMSOFDWJCKULI-AWEZNQCLSA-N 1 0 311.385 3.286 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(O)cccc2C1 ZINC001254551859 1106101253 /nfs/dbraw/zinc/10/12/53/1106101253.db2.gz GKTQYQOIPXEKKD-ZDUSSCGKSA-N 1 0 312.369 3.290 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001254552261 1106101745 /nfs/dbraw/zinc/10/17/45/1106101745.db2.gz JRGAMSSDCBZPPK-RHSMWYFYSA-N 1 0 304.390 3.171 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cnc2ccccn12 ZINC001254553309 1106102217 /nfs/dbraw/zinc/10/22/17/1106102217.db2.gz USSLMJMEPGOMSG-CQSZACIVSA-N 1 0 324.384 3.306 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC001254562427 1106104381 /nfs/dbraw/zinc/10/43/81/1106104381.db2.gz MFYQWAMOTDQPLB-OAHLLOKOSA-N 1 0 317.433 3.086 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC001254562426 1106104396 /nfs/dbraw/zinc/10/43/96/1106104396.db2.gz MFYQWAMOTDQPLB-HNNXBMFYSA-N 1 0 317.433 3.086 20 5 DGBDRO CCCOC1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254561742 1106104529 /nfs/dbraw/zinc/10/45/29/1106104529.db2.gz IUSUBRSTAOFGRG-CQSZACIVSA-N 1 0 306.406 3.417 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001254565458 1106104814 /nfs/dbraw/zinc/10/48/14/1106104814.db2.gz PGDOJBARRZUSHX-ZFWWWQNUSA-N 1 0 322.380 3.119 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3c(c1)CCC3)C2 ZINC001254566874 1106105181 /nfs/dbraw/zinc/10/51/81/1106105181.db2.gz LAWBBMDBPIJFDC-GOSISDBHSA-N 1 0 308.381 3.341 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCOc3ccccc31)C2 ZINC001254568385 1106106222 /nfs/dbraw/zinc/10/62/22/1106106222.db2.gz UBGHDXOYWHFGSF-RHSMWYFYSA-N 1 0 310.353 3.175 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCc3ccccc3C1)C2 ZINC001254573542 1106106650 /nfs/dbraw/zinc/10/66/50/1106106650.db2.gz BPNMHRNCVAYNMI-MSOLQXFVSA-N 1 0 308.381 3.209 20 5 DGBDRO Cn1c(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc2ccccc21 ZINC001254572219 1106106771 /nfs/dbraw/zinc/10/67/71/1106106771.db2.gz JYESDKKFDWFKTB-INIZCTEOSA-N 1 0 321.380 3.344 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCc3ncccc31)C2 ZINC001254574709 1106106891 /nfs/dbraw/zinc/10/68/91/1106106891.db2.gz KJWKODQBFOFUHJ-KBXCAEBGSA-N 1 0 309.369 3.124 20 5 DGBDRO [NH3+]CCc1ccc2c(ccn2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254578239 1106107559 /nfs/dbraw/zinc/10/75/59/1106107559.db2.gz CBMVTULKRZCCHX-GOSISDBHSA-N 1 0 321.380 3.391 20 5 DGBDRO CC(C)[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254576327 1106107686 /nfs/dbraw/zinc/10/76/86/1106107686.db2.gz VOQSRVLUXHAAFZ-AEFFLSMTSA-N 1 0 311.385 3.444 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3ncccc3c1)C2 ZINC001254581099 1106108293 /nfs/dbraw/zinc/10/82/93/1106108293.db2.gz IUQSBQCFURZGOD-KRWDZBQOSA-N 1 0 319.364 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)C2 ZINC001254583114 1106108613 /nfs/dbraw/zinc/10/86/13/1106108613.db2.gz XMYFEVNQTKXLON-SJLPKXTDSA-N 1 0 309.369 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCc1ccc(F)cc1)C2 ZINC001254585886 1106108953 /nfs/dbraw/zinc/10/89/53/1106108953.db2.gz YFXXKTIDKXUBJE-KRWDZBQOSA-N 1 0 314.360 3.424 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCc3ccccc31)C2 ZINC001254586213 1106109294 /nfs/dbraw/zinc/10/92/94/1106109294.db2.gz IMYFPWKITYKRRF-DOTOQJQBSA-N 1 0 308.381 3.382 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCc3cnccc31)C2 ZINC001254590401 1106109728 /nfs/dbraw/zinc/10/97/28/1106109728.db2.gz WRBUEWVAJZVBOW-QAPCUYQASA-N 1 0 309.369 3.124 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3[C@H](CCC3(F)F)C1)C2 ZINC001254593413 1106110068 /nfs/dbraw/zinc/11/00/68/1106110068.db2.gz MEGNYLLXWFLTKT-DFBGVHRSSA-N 1 0 308.328 3.039 20 5 DGBDRO C[N@H+](CCOc1ccccc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598554 1106110465 /nfs/dbraw/zinc/11/04/65/1106110465.db2.gz HSNQBAJBNZUPTK-KRWDZBQOSA-N 1 0 312.369 3.073 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H]1Cc1ccccn1)C2 ZINC001254597968 1106110787 /nfs/dbraw/zinc/11/07/87/1106110787.db2.gz FMJQAHUIANFBOL-MJGOQNOKSA-N 1 0 323.396 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H]1c1cccnc1)C2 ZINC001254597308 1106110909 /nfs/dbraw/zinc/11/09/09/1106110909.db2.gz HBDYJHFDBHRMPE-ROUUACIJSA-N 1 0 309.369 3.294 20 5 DGBDRO C[N@H+](CCc1ccccc1F)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612110 1106113312 /nfs/dbraw/zinc/11/33/12/1106113312.db2.gz VEAZVUAMIBEXMN-QGZVFWFLSA-N 1 0 314.360 3.376 20 5 DGBDRO COc1cc(N2CCC([NH2+][C@H](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256083933 1106367569 /nfs/dbraw/zinc/36/75/69/1106367569.db2.gz YWRMYNYNMOTEJG-CYBMUJFWSA-N 1 0 321.421 3.206 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001320643621 1107084871 /nfs/dbraw/zinc/08/48/71/1107084871.db2.gz QBLZSKZXARSSNM-TUZKUMHLSA-N 1 0 316.401 3.091 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cnn1C ZINC001261853037 1107549162 /nfs/dbraw/zinc/54/91/62/1107549162.db2.gz VVMXXCKKZMLJCX-QWRGUYRKSA-N 1 0 320.368 3.058 20 5 DGBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001262558401 1107723245 /nfs/dbraw/zinc/72/32/45/1107723245.db2.gz DHNPXRWAXPAYLS-ROUUACIJSA-N 1 0 312.369 3.214 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@H]2N(C)C)cccc1[N+](=O)[O-] ZINC001319392916 1108444927 /nfs/dbraw/zinc/44/49/27/1108444927.db2.gz GPMYPXMGGPQYIQ-JLJPHGGASA-N 1 0 305.422 3.427 20 5 DGBDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC001324761592 1108455037 /nfs/dbraw/zinc/45/50/37/1108455037.db2.gz XMEYFOPAIWDSJW-FGTMMUONSA-N 1 0 317.433 3.435 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001319822286 1108652148 /nfs/dbraw/zinc/65/21/48/1108652148.db2.gz BARWBLRKMUVPLL-IAQYHMDHSA-N 1 0 310.781 3.249 20 5 DGBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC001319831896 1108655372 /nfs/dbraw/zinc/65/53/72/1108655372.db2.gz NRJHVOMQSNQKAQ-FNOHHLHBSA-N 1 0 320.389 3.318 20 5 DGBDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC001319832854 1108655590 /nfs/dbraw/zinc/65/55/90/1108655590.db2.gz UTLLOTFPHLGDCL-PRLJZHDASA-N 1 0 303.406 3.070 20 5 DGBDRO CCOCCOC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001307414908 1111297253 /nfs/dbraw/zinc/29/72/53/1111297253.db2.gz GFNGIVIECKHHLE-AWEZNQCLSA-N 1 0 322.405 3.173 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ccccc2)c1 ZINC001307639344 1111321760 /nfs/dbraw/zinc/32/17/60/1111321760.db2.gz ZGDNOZJZQSEYQZ-GFCCVEGCSA-N 1 0 314.341 3.232 20 5 DGBDRO CCC1(CC)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001307687091 1111327149 /nfs/dbraw/zinc/32/71/49/1111327149.db2.gz VVCPVTCPBDVLNW-UHFFFAOYSA-N 1 0 308.426 3.392 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC001307717491 1111331404 /nfs/dbraw/zinc/33/14/04/1111331404.db2.gz SBKBBZNQXYJYIW-UHFFFAOYSA-N 1 0 306.406 3.415 20 5 DGBDRO C[C@@H](C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001308060663 1111372146 /nfs/dbraw/zinc/37/21/46/1111372146.db2.gz ACCDYTPIFUQTGV-LBPRGKRZSA-N 1 0 307.394 3.147 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001308115324 1111380560 /nfs/dbraw/zinc/38/05/60/1111380560.db2.gz UUUSVFMISUMZLB-ZIAGYGMSSA-N 1 0 312.373 3.244 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](CC(C)C)N(C)C ZINC001308193480 1111394316 /nfs/dbraw/zinc/39/43/16/1111394316.db2.gz ZMBRIDFDGDNBFR-OAHLLOKOSA-N 1 0 307.438 3.278 20 5 DGBDRO Nc1c(Cl)cccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001308357085 1111421082 /nfs/dbraw/zinc/42/10/82/1111421082.db2.gz NYAJGOKYRKTKER-UHFFFAOYSA-N 1 0 305.765 3.163 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC001308547815 1111441806 /nfs/dbraw/zinc/44/18/06/1111441806.db2.gz SCQRYPUYSKHXFJ-OASPWFOLSA-N 1 0 312.316 3.474 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2cccc3[nH]ccc32)cc1 ZINC001308717959 1111465445 /nfs/dbraw/zinc/46/54/45/1111465445.db2.gz LQHZYRZYDNDGDS-UHFFFAOYSA-N 1 0 309.369 3.451 20 5 DGBDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000295112446 529402034 /nfs/dbraw/zinc/40/20/34/529402034.db2.gz LUEAIFVYRWPJQT-GFCCVEGCSA-N 1 0 320.311 3.350 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000318419700 231170169 /nfs/dbraw/zinc/17/01/69/231170169.db2.gz KFYWERMFJZIUDY-BMFZPTHFSA-N 1 0 324.808 3.374 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000427845812 529418249 /nfs/dbraw/zinc/41/82/49/529418249.db2.gz FYQIXWXUDCXQAK-BYCMXARLSA-N 1 0 324.446 3.215 20 5 DGBDRO CC[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000295922065 529480206 /nfs/dbraw/zinc/48/02/06/529480206.db2.gz AEXCVJCEDWJQGS-RCBQFDQVSA-N 1 0 319.405 3.070 20 5 DGBDRO CCC(CC)[N@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000343005052 282184381 /nfs/dbraw/zinc/18/43/81/282184381.db2.gz WHFUMKGXJSINTC-UHFFFAOYSA-N 1 0 310.394 3.240 20 5 DGBDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000295188132 529522522 /nfs/dbraw/zinc/52/25/22/529522522.db2.gz WXXHCOXJJRCPFB-NSHDSACASA-N 1 0 306.284 3.042 20 5 DGBDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090217353 185286984 /nfs/dbraw/zinc/28/69/84/185286984.db2.gz NZEWKUVTMWRUHS-UONOGXRCSA-N 1 0 321.421 3.201 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413119192 529690764 /nfs/dbraw/zinc/69/07/64/529690764.db2.gz WWKOJONVZUTITP-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO CCc1nc(C)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000428969293 529721399 /nfs/dbraw/zinc/72/13/99/529721399.db2.gz RLJMMDBSZZENCC-UHFFFAOYSA-N 1 0 303.362 3.128 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000181489932 199305057 /nfs/dbraw/zinc/30/50/57/199305057.db2.gz CLSBMJNAVCLLLH-LBPRGKRZSA-N 1 0 302.330 3.030 20 5 DGBDRO Cc1cc(N[C@H]2CCCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181538763 199313941 /nfs/dbraw/zinc/31/39/41/199313941.db2.gz XEGKXBCFXKEMOB-LBPRGKRZSA-N 1 0 301.346 3.432 20 5 DGBDRO CN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000154400612 529773982 /nfs/dbraw/zinc/77/39/82/529773982.db2.gz XYJIODUTTWUARP-UHFFFAOYSA-N 1 0 317.414 3.071 20 5 DGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192825284 282299000 /nfs/dbraw/zinc/29/90/00/282299000.db2.gz PJEUFGFQRPQLAB-PIGZYNQJSA-N 1 0 314.389 3.365 20 5 DGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297408691 529939880 /nfs/dbraw/zinc/93/98/80/529939880.db2.gz CRKOWXBIVJJDCK-CVEARBPZSA-N 1 0 314.389 3.059 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C1CC1)C1CCCC1 ZINC000064808062 432010352 /nfs/dbraw/zinc/01/03/52/432010352.db2.gz ZXINEAKXGLFOSM-UHFFFAOYSA-N 1 0 317.389 3.249 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1(O)CCCCCC1 ZINC000426222968 529990448 /nfs/dbraw/zinc/99/04/48/529990448.db2.gz PYUIIRSVEJUWBA-UHFFFAOYSA-N 1 0 310.369 3.251 20 5 DGBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000292940814 530065237 /nfs/dbraw/zinc/06/52/37/530065237.db2.gz JVYCMALOLGDVST-INIZCTEOSA-N 1 0 323.824 3.166 20 5 DGBDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330867228 232123369 /nfs/dbraw/zinc/12/33/69/232123369.db2.gz VODYGPABHJSQOQ-YPMHNXCESA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000104078520 432013931 /nfs/dbraw/zinc/01/39/31/432013931.db2.gz JDZYKEDQMQIWOV-ZIAGYGMSSA-N 1 0 319.405 3.495 20 5 DGBDRO CC[C@@H](COC)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279622618 215012787 /nfs/dbraw/zinc/01/27/87/215012787.db2.gz YIPHKQTTZBKUGD-NSHDSACASA-N 1 0 306.284 3.128 20 5 DGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000272675229 210079239 /nfs/dbraw/zinc/07/92/39/210079239.db2.gz UMUMSBGGJISXID-KAFRUAOYSA-N 1 0 304.390 3.091 20 5 DGBDRO Cc1ccnc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000272660627 210064664 /nfs/dbraw/zinc/06/46/64/210064664.db2.gz BUWMEZVUVTZISK-UONOGXRCSA-N 1 0 318.421 3.363 20 5 DGBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000106439759 432021475 /nfs/dbraw/zinc/02/14/75/432021475.db2.gz GFLQSXGAGNKCAW-NWDGAFQWSA-N 1 0 319.405 3.093 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000152523855 186081426 /nfs/dbraw/zinc/08/14/26/186081426.db2.gz GWZVQRCAODDUFG-GFCCVEGCSA-N 1 0 301.346 3.239 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173346832 186178862 /nfs/dbraw/zinc/17/88/62/186178862.db2.gz KQYVYDNVWUSMQX-OLZOCXBDSA-N 1 0 300.358 3.499 20 5 DGBDRO CC[C@H](C)C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000171948357 198013396 /nfs/dbraw/zinc/01/33/96/198013396.db2.gz MUKPKXGQSIJRRN-NSHDSACASA-N 1 0 304.350 3.123 20 5 DGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCSC1 ZINC000130637608 432028570 /nfs/dbraw/zinc/02/85/70/432028570.db2.gz WAWPBPOXAMHTQZ-LLVKDONJSA-N 1 0 318.345 3.134 20 5 DGBDRO CC(C)(CCO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000174578101 198354414 /nfs/dbraw/zinc/35/44/14/198354414.db2.gz FOIGNDFHGKCDDM-UHFFFAOYSA-N 1 0 304.346 3.105 20 5 DGBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000176041766 198539049 /nfs/dbraw/zinc/53/90/49/198539049.db2.gz SZYGTILJZRNXOA-XHDPSFHLSA-N 1 0 306.362 3.130 20 5 DGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280324753 215541400 /nfs/dbraw/zinc/54/14/00/215541400.db2.gz PRWCNDFLJWWYLX-NEPJUHHUSA-N 1 0 322.796 3.227 20 5 DGBDRO Cc1ccn2c(CN(C)Cc3ccccc3[N+](=O)[O-])cnc2c1 ZINC000179315593 432054044 /nfs/dbraw/zinc/05/40/44/432054044.db2.gz KLXQKYQXVACVQA-UHFFFAOYSA-N 1 0 310.357 3.183 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000132902109 432054717 /nfs/dbraw/zinc/05/47/17/432054717.db2.gz DFJFGYBALBNDHB-GFCCVEGCSA-N 1 0 323.393 3.079 20 5 DGBDRO CCOC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000081519879 192278397 /nfs/dbraw/zinc/27/83/97/192278397.db2.gz YWXGUGIREOHODD-CQSZACIVSA-N 1 0 322.405 3.240 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000178721206 198916894 /nfs/dbraw/zinc/91/68/94/198916894.db2.gz XEINZGHCYASNRF-ZBEGNZNMSA-N 1 0 302.378 3.439 20 5 DGBDRO Cc1c([C@@H](C)NC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000180402539 199154752 /nfs/dbraw/zinc/15/47/52/199154752.db2.gz NPIXYSUXEKHWIF-CQSZACIVSA-N 1 0 305.422 3.427 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180736799 199202585 /nfs/dbraw/zinc/20/25/85/199202585.db2.gz YDIFVPGLXGCZPV-XJKSGUPXSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000432146583 291158069 /nfs/dbraw/zinc/15/80/69/291158069.db2.gz CAUKXDACXNLABM-SLEUVZQESA-N 1 0 323.824 3.415 20 5 DGBDRO CC[N@H+](C)CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180270859 432082754 /nfs/dbraw/zinc/08/27/54/432082754.db2.gz FFFGEWQEPPZOSO-GOSISDBHSA-N 1 0 313.401 3.226 20 5 DGBDRO Cc1cccc2c1C[NH2+]CCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000415105207 237080414 /nfs/dbraw/zinc/08/04/14/237080414.db2.gz RNBARUZDHBYYPH-UHFFFAOYSA-N 1 0 315.348 3.152 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000415574719 237223965 /nfs/dbraw/zinc/22/39/65/237223965.db2.gz DTAZUHQYZYNFTM-MRXNPFEDSA-N 1 0 322.409 3.097 20 5 DGBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000420626393 237704756 /nfs/dbraw/zinc/70/47/56/237704756.db2.gz METVPHUWDNRMPM-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000134885431 432087811 /nfs/dbraw/zinc/08/78/11/432087811.db2.gz CVSMIOCHDQSWFM-LLVKDONJSA-N 1 0 317.414 3.433 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000189295512 200377711 /nfs/dbraw/zinc/37/77/11/200377711.db2.gz VOIXTUKJOVJGNN-JHNDHUHGSA-N 1 0 318.417 3.057 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281186554 216137888 /nfs/dbraw/zinc/13/78/88/216137888.db2.gz JAGLYZMSSMFEJF-KRWDZBQOSA-N 1 0 315.348 3.412 20 5 DGBDRO CC(C)[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180552542 432089856 /nfs/dbraw/zinc/08/98/56/432089856.db2.gz FXYYONIWTDPYSF-QZTJIDSGSA-N 1 0 314.385 3.291 20 5 DGBDRO Cc1c(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429030715 238038931 /nfs/dbraw/zinc/03/89/31/238038931.db2.gz RYVULNDZTHURQM-PMUMKWKESA-N 1 0 317.433 3.065 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000434797410 238247286 /nfs/dbraw/zinc/24/72/86/238247286.db2.gz YAGDSBMHORBZNZ-XTKXOIQPSA-N 1 0 315.417 3.215 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281427551 216293360 /nfs/dbraw/zinc/29/33/60/216293360.db2.gz CAKLWSAFGNDDAH-INIZCTEOSA-N 1 0 301.321 3.370 20 5 DGBDRO C[C@@H](Cc1ccccc1F)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000437784252 238681524 /nfs/dbraw/zinc/68/15/24/238681524.db2.gz BZWIYLCLUSXACP-ZDUSSCGKSA-N 1 0 302.349 3.497 20 5 DGBDRO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000281492483 216338280 /nfs/dbraw/zinc/33/82/80/216338280.db2.gz TVMRLUJWSOUKMS-KRWDZBQOSA-N 1 0 314.389 3.098 20 5 DGBDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193984749 201157287 /nfs/dbraw/zinc/15/72/87/201157287.db2.gz DODOSFCBMFTYPI-SNVBAGLBSA-N 1 0 313.379 3.076 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000194036145 201167345 /nfs/dbraw/zinc/16/73/45/201167345.db2.gz BEQLNGSPNIGSKN-CORIIIEPSA-N 1 0 319.405 3.256 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C ZINC000194414979 201223252 /nfs/dbraw/zinc/22/32/52/201223252.db2.gz DCANBMXJMYKMDY-CYBMUJFWSA-N 1 0 324.384 3.375 20 5 DGBDRO COc1ccc(OCC[N@H+]([C@@H](C)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000441180483 239017867 /nfs/dbraw/zinc/01/78/67/239017867.db2.gz RDOMUFJBRZTGGO-LBPRGKRZSA-N 1 0 320.389 3.245 20 5 DGBDRO COc1ccc(OCC[N@H+]([C@H](C)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000441180481 239018324 /nfs/dbraw/zinc/01/83/24/239018324.db2.gz RDOMUFJBRZTGGO-GFCCVEGCSA-N 1 0 320.389 3.245 20 5 DGBDRO CCC(O)(CC)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000171051991 432098930 /nfs/dbraw/zinc/09/89/30/432098930.db2.gz DFAVPDSEOPOLEI-UHFFFAOYSA-N 1 0 318.373 3.496 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195308394 201377620 /nfs/dbraw/zinc/37/76/20/201377620.db2.gz LCTOLJFBQFQAOD-UHFFFAOYSA-N 1 0 317.389 3.025 20 5 DGBDRO Cc1c(C[NH2+][C@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000271837758 209256069 /nfs/dbraw/zinc/25/60/69/209256069.db2.gz XWXJCTVVEOVQET-MRXNPFEDSA-N 1 0 300.358 3.117 20 5 DGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000135167873 432102411 /nfs/dbraw/zinc/10/24/11/432102411.db2.gz IFOQEMUTKKRIDX-LBPRGKRZSA-N 1 0 315.329 3.396 20 5 DGBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449120829 240027241 /nfs/dbraw/zinc/02/72/41/240027241.db2.gz FOXWVPZUAZSANL-CHWSQXEVSA-N 1 0 322.405 3.236 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000449209889 240070156 /nfs/dbraw/zinc/07/01/56/240070156.db2.gz RCIOKCGZSBOTPH-JWZBEHFJSA-N 1 0 316.401 3.073 20 5 DGBDRO Cc1cccn2cc(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])nc12 ZINC000449221839 240076596 /nfs/dbraw/zinc/07/65/96/240076596.db2.gz HKNPRLCDVJEBJK-AWEZNQCLSA-N 1 0 324.384 3.272 20 5 DGBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000292987008 223338522 /nfs/dbraw/zinc/33/85/22/223338522.db2.gz GFBODBZFNBVXDJ-SNVBAGLBSA-N 1 0 317.311 3.002 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000449252157 240092177 /nfs/dbraw/zinc/09/21/77/240092177.db2.gz RPZBHRMSQKNTBQ-FSPWUOQZSA-N 1 0 318.417 3.321 20 5 DGBDRO CCOC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000449342752 240142761 /nfs/dbraw/zinc/14/27/61/240142761.db2.gz FBPAXNMOUDJSHB-AWEZNQCLSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COc2ccccc21 ZINC000449327923 240135366 /nfs/dbraw/zinc/13/53/66/240135366.db2.gz GXEWQKDKIHBZNE-HIFRSBDPSA-N 1 0 312.369 3.292 20 5 DGBDRO C=Cn1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449500835 240248950 /nfs/dbraw/zinc/24/89/50/240248950.db2.gz ODYXWTHPDGFPQK-INIZCTEOSA-N 1 0 312.373 3.271 20 5 DGBDRO C[C@H]([NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000451606562 299352015 /nfs/dbraw/zinc/35/20/15/299352015.db2.gz LYPGMUOMHISPGK-UXEPBGEESA-N 1 0 304.390 3.043 20 5 DGBDRO CCO[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449493523 240243085 /nfs/dbraw/zinc/24/30/85/240243085.db2.gz LOOXNOSRSGQVKM-HTFDGFGYSA-N 1 0 304.390 3.355 20 5 DGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449553155 240281859 /nfs/dbraw/zinc/28/18/59/240281859.db2.gz LTDALSAZAYFRDX-XEZPLFJOSA-N 1 0 319.405 3.194 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(Cl)c1 ZINC000449557541 240288588 /nfs/dbraw/zinc/28/85/88/240288588.db2.gz UYVDZQGDSCBTAC-JMSVASOKSA-N 1 0 324.808 3.231 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@@H]1CCOC1 ZINC000449686886 240369008 /nfs/dbraw/zinc/36/90/08/240369008.db2.gz YTPYRLCHNTZQSR-HUUCEWRRSA-N 1 0 306.406 3.322 20 5 DGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449637036 240338372 /nfs/dbraw/zinc/33/83/72/240338372.db2.gz FVGCGHZRRVCYDN-VKZRIFJHSA-N 1 0 320.433 3.445 20 5 DGBDRO CCC1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)COC1 ZINC000449597630 240314099 /nfs/dbraw/zinc/31/40/99/240314099.db2.gz GEIVMCCAHDIDLJ-UHFFFAOYSA-N 1 0 316.357 3.371 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000449738545 240391512 /nfs/dbraw/zinc/39/15/12/240391512.db2.gz CRGRZNXLNZEIRY-YXJHDRRASA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000279108260 299355528 /nfs/dbraw/zinc/35/55/28/299355528.db2.gz OYURZAYWGUYBHM-MQIPJXDCSA-N 1 0 304.390 3.332 20 5 DGBDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000091960206 193132204 /nfs/dbraw/zinc/13/22/04/193132204.db2.gz WXNUCEVRTQDLOK-WMLDXEAASA-N 1 0 314.389 3.183 20 5 DGBDRO C[C@H](c1ccncc1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000091986533 193137595 /nfs/dbraw/zinc/13/75/95/193137595.db2.gz OGGVTZDNJBVSFZ-CQSZACIVSA-N 1 0 315.373 3.452 20 5 DGBDRO CCC1([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000451271217 241065401 /nfs/dbraw/zinc/06/54/01/241065401.db2.gz CWDNFTDFASXKGI-UHFFFAOYSA-N 1 0 305.378 3.154 20 5 DGBDRO CCC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000451438103 241123649 /nfs/dbraw/zinc/12/36/49/241123649.db2.gz MNZGZVYZZLHJRY-CJNGLKHVSA-N 1 0 324.421 3.139 20 5 DGBDRO CCC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000451442949 241126019 /nfs/dbraw/zinc/12/60/19/241126019.db2.gz XSAANMVNGFHLDP-CQSZACIVSA-N 1 0 307.394 3.338 20 5 DGBDRO O=C(CC[NH2+][C@H]1CCC12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000451459538 241130008 /nfs/dbraw/zinc/13/00/08/241130008.db2.gz QOVPWQFQOGQCOV-HNNXBMFYSA-N 1 0 317.389 3.236 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@@H](C)CCC1(C)C ZINC000452010111 241296986 /nfs/dbraw/zinc/29/69/86/241296986.db2.gz QGJNSZGEIFYDBK-LBPRGKRZSA-N 1 0 305.378 3.105 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453381872 241753589 /nfs/dbraw/zinc/75/35/89/241753589.db2.gz RKPXZTLEBBCGBK-YJBOKZPZSA-N 1 0 318.417 3.418 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000453400760 241765971 /nfs/dbraw/zinc/76/59/71/241765971.db2.gz CYEFYIGEMLNQGU-WQVCFCJDSA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000271767645 209196960 /nfs/dbraw/zinc/19/69/60/209196960.db2.gz NJGBGPZQUOOLPA-MEBBXXQBSA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc([N+](=O)[O-])cc1 ZINC000268798723 299384131 /nfs/dbraw/zinc/38/41/31/299384131.db2.gz GXLITCVFCZWRAM-XHDPSFHLSA-N 1 0 300.362 3.057 20 5 DGBDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181207797 432117726 /nfs/dbraw/zinc/11/77/26/432117726.db2.gz YQZYYORVFKISRJ-DZGCQCFKSA-N 1 0 319.405 3.035 20 5 DGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000463014148 243702359 /nfs/dbraw/zinc/70/23/59/243702359.db2.gz UFXPFFSXFKPSPL-HZPDHXFCSA-N 1 0 306.406 3.319 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468619469 244056233 /nfs/dbraw/zinc/05/62/33/244056233.db2.gz GHLOZEBTMAHBKY-IPJDOKCGSA-N 1 0 306.406 3.386 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN(C)C1CCCC1 ZINC000468643554 244058254 /nfs/dbraw/zinc/05/82/54/244058254.db2.gz QGZGIPBRUMPWCE-QINSGFPZSA-N 1 0 317.433 3.462 20 5 DGBDRO CCN1CCCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468648826 244060083 /nfs/dbraw/zinc/06/00/83/244060083.db2.gz MZRCYEXJNGIXNV-RXBGNRNISA-N 1 0 317.433 3.462 20 5 DGBDRO CC(C)N(CC[NH+](C)C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000468429036 244041121 /nfs/dbraw/zinc/04/11/21/244041121.db2.gz LVIXXSONABLJAP-UHFFFAOYSA-N 1 0 319.327 3.390 20 5 DGBDRO C[C@H](CCC1CC1)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469810355 244125260 /nfs/dbraw/zinc/12/52/60/244125260.db2.gz WJJMWGZIMGPIMV-CHWSQXEVSA-N 1 0 319.405 3.480 20 5 DGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000118976860 284131080 /nfs/dbraw/zinc/13/10/80/284131080.db2.gz SDLSEGNFPWKKDC-CZUORRHYSA-N 1 0 319.405 3.400 20 5 DGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000118976655 284131158 /nfs/dbraw/zinc/13/11/58/284131158.db2.gz SDLSEGNFPWKKDC-CJNGLKHVSA-N 1 0 319.405 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000093221530 193218607 /nfs/dbraw/zinc/21/86/07/193218607.db2.gz YLVWDFBQVUFPCI-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534331 193266810 /nfs/dbraw/zinc/26/68/10/193266810.db2.gz RIKAHUHQXUQDRV-LBPRGKRZSA-N 1 0 318.402 3.046 20 5 DGBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093693111 193290333 /nfs/dbraw/zinc/29/03/33/193290333.db2.gz WZZXPJPCIIBSGX-MRXNPFEDSA-N 1 0 305.422 3.067 20 5 DGBDRO CCOc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000486981585 245008557 /nfs/dbraw/zinc/00/85/57/245008557.db2.gz OMVPQVWLVGIVNR-AWEZNQCLSA-N 1 0 321.421 3.304 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285340406 296161830 /nfs/dbraw/zinc/16/18/30/296161830.db2.gz UUFDLYZQCGEIPN-WBMJQRKESA-N 1 0 319.405 3.177 20 5 DGBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000488070319 245143080 /nfs/dbraw/zinc/14/30/80/245143080.db2.gz GCKPPHRFHKJFHW-LSDHHAIUSA-N 1 0 322.405 3.111 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCc3ccsc3)CC2)n1 ZINC000488999510 245260752 /nfs/dbraw/zinc/26/07/52/245260752.db2.gz ZYOVYPNHGNGVQA-UHFFFAOYSA-N 1 0 320.418 3.123 20 5 DGBDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000264909342 204259895 /nfs/dbraw/zinc/25/98/95/204259895.db2.gz YPOLUWYCYLYOQL-DYVFJYSZSA-N 1 0 300.358 3.153 20 5 DGBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264965482 204308050 /nfs/dbraw/zinc/30/80/50/204308050.db2.gz PGDVOZAGCPVGKH-CMPLNLGQSA-N 1 0 303.387 3.464 20 5 DGBDRO CCC(CC)(CCO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000282502064 217045330 /nfs/dbraw/zinc/04/53/30/217045330.db2.gz QZBOWDMOPSMUKZ-UHFFFAOYSA-N 1 0 300.786 3.279 20 5 DGBDRO CC(C)n1nccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282540544 217075292 /nfs/dbraw/zinc/07/52/92/217075292.db2.gz VYZCQBZJHKCRKC-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000127311429 284334520 /nfs/dbraw/zinc/33/45/20/284334520.db2.gz CGSIYTKLHYQRQG-MNDMWVCDSA-N 1 0 303.406 3.024 20 5 DGBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000288288839 220064853 /nfs/dbraw/zinc/06/48/53/220064853.db2.gz GPIKELZTRIUJAP-UHFFFAOYSA-N 1 0 319.405 3.474 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000271699807 209136528 /nfs/dbraw/zinc/13/65/28/209136528.db2.gz SHUMRRDOXVEZIN-IRXDYDNUSA-N 1 0 300.358 3.369 20 5 DGBDRO COc1cc(NC2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000266083216 205084193 /nfs/dbraw/zinc/08/41/93/205084193.db2.gz BTVKDTCGSYOKQV-UHFFFAOYSA-N 1 0 307.394 3.136 20 5 DGBDRO Cc1nccn1CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000127607138 284345637 /nfs/dbraw/zinc/34/56/37/284345637.db2.gz LTTGFIMJOOHNBE-UHFFFAOYSA-N 1 0 314.389 3.154 20 5 DGBDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000282965512 217355019 /nfs/dbraw/zinc/35/50/19/217355019.db2.gz KUPFXLDFPTWJET-CQSZACIVSA-N 1 0 306.387 3.096 20 5 DGBDRO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000495439010 246269815 /nfs/dbraw/zinc/26/98/15/246269815.db2.gz JYUASHJXHFHBRZ-TZMCWYRMSA-N 1 0 312.797 3.195 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)F)cc1[N+](=O)[O-] ZINC000274516119 211682477 /nfs/dbraw/zinc/68/24/77/211682477.db2.gz WXNSQXZJEHCNME-SNVBAGLBSA-N 1 0 324.331 3.425 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000267612451 206173349 /nfs/dbraw/zinc/17/33/49/206173349.db2.gz GZGAWHRVLOCUQX-KSSFIOAISA-N 1 0 314.385 3.462 20 5 DGBDRO C[C@@H]1CCC[C@@](CNCc2csc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000040668904 183115352 /nfs/dbraw/zinc/11/53/52/183115352.db2.gz HKJQZNBOHOHPOU-IUODEOHRSA-N 1 0 311.451 3.256 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000268977419 432149632 /nfs/dbraw/zinc/14/96/32/432149632.db2.gz BLJHBDJJGJPQGY-IIAWOOMASA-N 1 0 306.406 3.057 20 5 DGBDRO CC(=O)c1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000283954046 217823270 /nfs/dbraw/zinc/82/32/70/217823270.db2.gz YNHXFBKBSBWDIG-OCCSQVGLSA-N 1 0 305.378 3.082 20 5 DGBDRO Cc1cc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000285107051 218293445 /nfs/dbraw/zinc/29/34/45/218293445.db2.gz KOMKAWHWMKUJTO-JTQLQIEISA-N 1 0 309.753 3.438 20 5 DGBDRO CCOCCC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000285162342 218314666 /nfs/dbraw/zinc/31/46/66/218314666.db2.gz MPHVZYDMMUTVEI-CYBMUJFWSA-N 1 0 321.421 3.425 20 5 DGBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H](O)c1ccccc1 ZINC000285262325 218358025 /nfs/dbraw/zinc/35/80/25/218358025.db2.gz HYSSERMPDNOABO-GOSISDBHSA-N 1 0 314.385 3.193 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285248600 218351140 /nfs/dbraw/zinc/35/11/40/218351140.db2.gz PVCKOUZOPLQWCJ-GHJWDPDVSA-N 1 0 321.421 3.421 20 5 DGBDRO Cc1csc([C@H](C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000285316557 218379483 /nfs/dbraw/zinc/37/94/83/218379483.db2.gz SVBDOHOPKMNZHT-MWLCHTKSSA-N 1 0 320.418 3.396 20 5 DGBDRO Cc1c(CN2CCCC[C@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000285350603 218392615 /nfs/dbraw/zinc/39/26/15/218392615.db2.gz LHIJAGAJXXGWJI-INIZCTEOSA-N 1 0 300.362 3.354 20 5 DGBDRO COCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245547076 284822947 /nfs/dbraw/zinc/82/29/47/284822947.db2.gz NIUHCCQEFBCXTB-OFQRWUPVSA-N 1 0 306.406 3.321 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[C@H]1CC[NH2+]C1 ZINC000110798294 194360021 /nfs/dbraw/zinc/36/00/21/194360021.db2.gz SEKIQRSRDKOUNS-SECBINFHSA-N 1 0 303.284 3.025 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000268975173 207137697 /nfs/dbraw/zinc/13/76/97/207137697.db2.gz GSCRDFDBNRKWJA-ZDUSSCGKSA-N 1 0 306.391 3.075 20 5 DGBDRO C[N@H+](CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000058938185 184132421 /nfs/dbraw/zinc/13/24/21/184132421.db2.gz LPJSIEIAZDFDSB-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000269068420 207216085 /nfs/dbraw/zinc/21/60/85/207216085.db2.gz WJFRAUZNYWIOKE-CABCVRRESA-N 1 0 304.346 3.271 20 5 DGBDRO CC[C@H]([NH2+]CCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000269075956 207223341 /nfs/dbraw/zinc/22/33/41/207223341.db2.gz YIOBKMIPVPXRGS-HNNXBMFYSA-N 1 0 300.362 3.143 20 5 DGBDRO COCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000119866351 195052352 /nfs/dbraw/zinc/05/23/52/195052352.db2.gz JJDXZIVCNDOOCN-UHFFFAOYSA-N 1 0 320.320 3.262 20 5 DGBDRO COc1cc(NCCC[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000301986317 533028279 /nfs/dbraw/zinc/02/82/79/533028279.db2.gz ZIZANLBOYQKNGH-UHFFFAOYSA-N 1 0 311.357 3.030 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000336984226 253030806 /nfs/dbraw/zinc/03/08/06/253030806.db2.gz HFRMKRFJEXQCJS-KGYLQXTDSA-N 1 0 305.378 3.008 20 5 DGBDRO CCC[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000336872218 253015644 /nfs/dbraw/zinc/01/56/44/253015644.db2.gz LPHDTCGJEIMMTA-HNNXBMFYSA-N 1 0 321.421 3.330 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)c(F)c1 ZINC000337294805 253080759 /nfs/dbraw/zinc/08/07/59/253080759.db2.gz PNUCFNFGCIRBJM-OLZOCXBDSA-N 1 0 318.295 3.374 20 5 DGBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000337318903 253085896 /nfs/dbraw/zinc/08/58/96/253085896.db2.gz NFVPUDKIDQTHEK-KBPBESRZSA-N 1 0 319.405 3.291 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)cs1 ZINC000337238314 253067566 /nfs/dbraw/zinc/06/75/66/253067566.db2.gz AAXJORCSLRJWFN-ZJUUUORDSA-N 1 0 306.334 3.296 20 5 DGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337250707 253070611 /nfs/dbraw/zinc/07/06/11/253070611.db2.gz NAYDAXXOGHHDRG-STQMWFEESA-N 1 0 305.378 3.186 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337250705 253070739 /nfs/dbraw/zinc/07/07/39/253070739.db2.gz NAYDAXXOGHHDRG-CHWSQXEVSA-N 1 0 305.378 3.186 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(COC)CCC2)cc1[N+](=O)[O-] ZINC000337407805 253109073 /nfs/dbraw/zinc/10/90/73/253109073.db2.gz MKSOXUBCQOXPCM-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO C[C@@H]1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000338482712 253295615 /nfs/dbraw/zinc/29/56/15/253295615.db2.gz GJEADUUKANLAOR-VXGBXAGGSA-N 1 0 310.369 3.417 20 5 DGBDRO Cn1cc(Cl)cc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000120206692 195118396 /nfs/dbraw/zinc/11/83/96/195118396.db2.gz PEUAQGGICDNUNO-UHFFFAOYSA-N 1 0 323.780 3.098 20 5 DGBDRO CC(=O)c1cc(NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000286492438 219017813 /nfs/dbraw/zinc/01/78/13/219017813.db2.gz VIARIMLNWWGFOO-UHFFFAOYSA-N 1 0 319.405 3.472 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000157956636 197229889 /nfs/dbraw/zinc/22/98/89/197229889.db2.gz JHNIRIRMCRWJDM-MRXNPFEDSA-N 1 0 318.352 3.061 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)C1CC1 ZINC000188030427 285161279 /nfs/dbraw/zinc/16/12/79/285161279.db2.gz BHWKCUQLJHAGNO-XOKHGSTOSA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1cnc(NCc2ccc(C[NH+](C)C)c(F)c2)c([N+](=O)[O-])c1 ZINC000342768528 254046213 /nfs/dbraw/zinc/04/62/13/254046213.db2.gz LSZALTJPBLBWFO-UHFFFAOYSA-N 1 0 318.352 3.111 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2=CCCCC2)n1 ZINC000453248092 285168546 /nfs/dbraw/zinc/16/85/46/285168546.db2.gz KPQCBVUKKJCNGQ-LSDHHAIUSA-N 1 0 304.394 3.365 20 5 DGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000343250083 254119987 /nfs/dbraw/zinc/11/99/87/254119987.db2.gz MAHPKLMZMAXZMP-JTQLQIEISA-N 1 0 317.311 3.144 20 5 DGBDRO CC[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000343253520 254120507 /nfs/dbraw/zinc/12/05/07/254120507.db2.gz PAZHRWZEIHXPCZ-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO CC[C@@H](C)[NH2+][C@H](CNc1ncc([N+](=O)[O-])cc1C)c1ccco1 ZINC000343272107 254122389 /nfs/dbraw/zinc/12/23/89/254122389.db2.gz POJWMKTVAJCTDP-TZMCWYRMSA-N 1 0 318.377 3.433 20 5 DGBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCC[N@@H+]1C ZINC000343480378 254150406 /nfs/dbraw/zinc/15/04/06/254150406.db2.gz QWHQUWVJKMKFSG-FZMZJTMJSA-N 1 0 300.362 3.038 20 5 DGBDRO CCN(CC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000343796006 254189624 /nfs/dbraw/zinc/18/96/24/254189624.db2.gz SHNVYXZFPLVXAJ-UHFFFAOYSA-N 1 0 306.410 3.001 20 5 DGBDRO Cc1cccc(NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000344143142 254231222 /nfs/dbraw/zinc/23/12/22/254231222.db2.gz NNUFAUPIASKTGR-UHFFFAOYSA-N 1 0 320.780 3.153 20 5 DGBDRO CC[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000344214662 254240425 /nfs/dbraw/zinc/24/04/25/254240425.db2.gz CCNRKXOSPKTDGW-LRDDRELGSA-N 1 0 305.378 3.044 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCc3occc3C2)cc1 ZINC000344233022 254243090 /nfs/dbraw/zinc/24/30/90/254243090.db2.gz HIHWCOGZYOFCMI-UHFFFAOYSA-N 1 0 302.330 3.015 20 5 DGBDRO CC[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344283008 254249936 /nfs/dbraw/zinc/24/99/36/254249936.db2.gz WCDFHVSKVZLTFQ-LRDDRELGSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])nc1 ZINC000344417729 254268833 /nfs/dbraw/zinc/26/88/33/254268833.db2.gz LEWIKNHRHCWHSD-UHFFFAOYSA-N 1 0 314.389 3.442 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000344428734 254270025 /nfs/dbraw/zinc/27/00/25/254270025.db2.gz HEJJHWZHTJDFLY-CYBMUJFWSA-N 1 0 318.402 3.300 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000344436193 254270643 /nfs/dbraw/zinc/27/06/43/254270643.db2.gz PTDLMBJOCYAJCR-MRXNPFEDSA-N 1 0 312.373 3.066 20 5 DGBDRO CCN(CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000344838099 254309983 /nfs/dbraw/zinc/30/99/83/254309983.db2.gz BXVKTSMPBODTKU-KAMYIIQDSA-N 1 0 303.406 3.072 20 5 DGBDRO CC(C)n1cc2c(n1)C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)CC2 ZINC000345019808 254323871 /nfs/dbraw/zinc/32/38/71/254323871.db2.gz SWFJUIISYCRDMQ-CYBMUJFWSA-N 1 0 320.418 3.081 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000271493506 208954580 /nfs/dbraw/zinc/95/45/80/208954580.db2.gz JOIGNSHMBBWXFH-MCKRRDHZSA-N 1 0 304.390 3.401 20 5 DGBDRO CC[C@H]([NH2+]CCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000156039216 197082823 /nfs/dbraw/zinc/08/28/23/197082823.db2.gz RHTXFYVDDSTAJQ-INIZCTEOSA-N 1 0 303.362 3.483 20 5 DGBDRO CC[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)OC ZINC000289696010 221161492 /nfs/dbraw/zinc/16/14/92/221161492.db2.gz DJPZITNZHQDUHX-CQSZACIVSA-N 1 0 321.402 3.233 20 5 DGBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000289796105 221230819 /nfs/dbraw/zinc/23/08/19/221230819.db2.gz MQJZBANQYOFVFD-AWEZNQCLSA-N 1 0 322.405 3.383 20 5 DGBDRO CCOC1CC2(C1)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000289838930 221261204 /nfs/dbraw/zinc/26/12/04/221261204.db2.gz UNTHZXKAPPCJOW-FNORWQNLSA-N 1 0 316.401 3.499 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000126415374 195837781 /nfs/dbraw/zinc/83/77/81/195837781.db2.gz UGFZKUYKAGPONQ-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO C[C@@H](C1CC1)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444584428 533371385 /nfs/dbraw/zinc/37/13/85/533371385.db2.gz TXFVNQHZCWPGJL-JTQLQIEISA-N 1 0 300.362 3.234 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000470178858 533382914 /nfs/dbraw/zinc/38/29/14/533382914.db2.gz OXLCCDNSOMTEFU-IHWMJMDHSA-N 1 0 316.401 3.499 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CC(C)C)CC1 ZINC000470177856 533382985 /nfs/dbraw/zinc/38/29/85/533382985.db2.gz VACKKMGOXNUFHD-WJDWOHSUSA-N 1 0 317.433 3.272 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000488570576 533383789 /nfs/dbraw/zinc/38/37/89/533383789.db2.gz DLAOHXHCCWAFDA-BXBOZWQASA-N 1 0 317.433 3.270 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000468748322 533409571 /nfs/dbraw/zinc/40/95/71/533409571.db2.gz PTABGOBSXUXEKI-XLQKBUROSA-N 1 0 315.417 3.213 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000432320657 533662685 /nfs/dbraw/zinc/66/26/85/533662685.db2.gz ALSIVSJIPFKHST-VXGBXAGGSA-N 1 0 312.373 3.180 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000279555373 130751308 /nfs/dbraw/zinc/75/13/08/130751308.db2.gz RHGYTSXQYURUKX-MWLCHTKSSA-N 1 0 318.295 3.128 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)C1CCCCC1 ZINC000595041102 400085727 /nfs/dbraw/zinc/08/57/27/400085727.db2.gz QYWYCJORQHLRJP-WBMJQRKESA-N 1 0 322.405 3.195 20 5 DGBDRO CCOC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595040864 400086018 /nfs/dbraw/zinc/08/60/18/400086018.db2.gz NCHILBZFDGFTBY-WFASDCNBSA-N 1 0 310.394 3.315 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)C1CCCCC1 ZINC000584665538 400087548 /nfs/dbraw/zinc/08/75/48/400087548.db2.gz QCISNBOCMABMIW-JKSUJKDBSA-N 1 0 304.390 3.113 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000595050434 400089357 /nfs/dbraw/zinc/08/93/57/400089357.db2.gz IFYMSSDPMDDAIU-QWHCGFSZSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000595052017 400090320 /nfs/dbraw/zinc/09/03/20/400090320.db2.gz PMEMYUJHVCWDDN-NEPJUHHUSA-N 1 0 308.378 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCSCCC[NH+]2CCCC2)cc1 ZINC000600569188 400094966 /nfs/dbraw/zinc/09/49/66/400094966.db2.gz MBWCXUGASLHNRU-UHFFFAOYSA-N 1 0 310.419 3.193 20 5 DGBDRO CC1(C)OCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595107684 400107625 /nfs/dbraw/zinc/10/76/25/400107625.db2.gz PUMPVSHJYAUGRK-CJNGLKHVSA-N 1 0 304.390 3.377 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000007783673 400108900 /nfs/dbraw/zinc/10/89/00/400108900.db2.gz XIMCLGLTFQQWRZ-CYBMUJFWSA-N 1 0 313.357 3.193 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000007980168 400116121 /nfs/dbraw/zinc/11/61/21/400116121.db2.gz PLDJHHUKCKOWBE-INIZCTEOSA-N 1 0 312.373 3.239 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000595023045 400079667 /nfs/dbraw/zinc/07/96/67/400079667.db2.gz WVCAKWYTFAKADY-AGIUHOORSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CC(C)(C)OC ZINC000595024842 400079705 /nfs/dbraw/zinc/07/97/05/400079705.db2.gz HMKMDVJWQACRJV-VXGBXAGGSA-N 1 0 310.394 3.458 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(CO)CCCCC1 ZINC000595026881 400080363 /nfs/dbraw/zinc/08/03/63/400080363.db2.gz ODQSYLNMKXOTIO-ZDUSSCGKSA-N 1 0 322.405 3.197 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(C)CCOCC1 ZINC000595028790 400081693 /nfs/dbraw/zinc/08/16/93/400081693.db2.gz VCGUDXQZOFQTTQ-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000595510035 400173610 /nfs/dbraw/zinc/17/36/10/400173610.db2.gz JHLPXTGSQZTRCZ-BFYDXBDKSA-N 1 0 322.380 3.249 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000609540479 400174253 /nfs/dbraw/zinc/17/42/53/400174253.db2.gz ZODKLAVPKDLRFC-ZDUSSCGKSA-N 1 0 302.330 3.056 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000322157981 400174376 /nfs/dbraw/zinc/17/43/76/400174376.db2.gz MCJSJFUSWXPOGL-CYBMUJFWSA-N 1 0 314.389 3.285 20 5 DGBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595519503 400174832 /nfs/dbraw/zinc/17/48/32/400174832.db2.gz KSPOHXMMDIMGHP-CABCVRRESA-N 1 0 308.353 3.123 20 5 DGBDRO CC[C@H](C)[NH2+][C@@H](CNc1cccnc1[N+](=O)[O-])c1ccco1 ZINC000588067113 400185512 /nfs/dbraw/zinc/18/55/12/400185512.db2.gz WHJZHJOWEWXEOU-AAEUAGOBSA-N 1 0 304.350 3.124 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000595297718 400122313 /nfs/dbraw/zinc/12/23/13/400122313.db2.gz NAWSOAXWMQLREM-AWEZNQCLSA-N 1 0 319.336 3.237 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000305797738 400123931 /nfs/dbraw/zinc/12/39/31/400123931.db2.gz WCMBJLWSNVZJAS-AWEZNQCLSA-N 1 0 314.385 3.289 20 5 DGBDRO C[N@H+](CCNC(=O)c1cc2ccccc2c2cccnc12)C1CC1 ZINC000066924070 400129324 /nfs/dbraw/zinc/12/93/24/400129324.db2.gz LYSROTXBBRKYNU-UHFFFAOYSA-N 1 0 319.408 3.212 20 5 DGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595346473 400132471 /nfs/dbraw/zinc/13/24/71/400132471.db2.gz JJYHIXORTYOBPN-IUODEOHRSA-N 1 0 309.385 3.039 20 5 DGBDRO CO[C@@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCC1 ZINC000595387048 400138276 /nfs/dbraw/zinc/13/82/76/400138276.db2.gz NGIQGUZLQNITPP-KRWDZBQOSA-N 1 0 304.390 3.374 20 5 DGBDRO CCN(CC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000600771950 400148179 /nfs/dbraw/zinc/14/81/79/400148179.db2.gz CLANFROYPMDDAV-UHFFFAOYSA-N 1 0 323.780 3.289 20 5 DGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])s1 ZINC000588083391 400187300 /nfs/dbraw/zinc/18/73/00/400187300.db2.gz HVMIEXFGTWZTBL-UHFFFAOYSA-N 1 0 309.391 3.208 20 5 DGBDRO CC1(C)CCC(O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000319317549 400159867 /nfs/dbraw/zinc/15/98/67/400159867.db2.gz KTRKVUNLKZILNC-UHFFFAOYSA-N 1 0 310.369 3.155 20 5 DGBDRO O=[N+]([O-])c1c(NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc2ncccc21 ZINC000319751579 400161236 /nfs/dbraw/zinc/16/12/36/400161236.db2.gz JFEFPJPPXGPZMK-LBPRGKRZSA-N 1 0 312.373 3.039 20 5 DGBDRO O=[N+]([O-])c1c(NC[C@H]2CC[N@@H+](C3CC3)C2)ccc2ncccc21 ZINC000319751576 400161324 /nfs/dbraw/zinc/16/13/24/400161324.db2.gz JFEFPJPPXGPZMK-GFCCVEGCSA-N 1 0 312.373 3.039 20 5 DGBDRO COc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1C ZINC000320756111 400166878 /nfs/dbraw/zinc/16/68/78/400166878.db2.gz AXFJSYJXDIMJSW-ZDUSSCGKSA-N 1 0 307.394 3.054 20 5 DGBDRO C[NH+]1CCC(CCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000092631846 400188364 /nfs/dbraw/zinc/18/83/64/400188364.db2.gz BJSFGOSJASDURI-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H](NCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420406 400256018 /nfs/dbraw/zinc/25/60/18/400256018.db2.gz QZONDXQQMWDUIU-KFWWJZLASA-N 1 0 305.422 3.223 20 5 DGBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000093283272 400236533 /nfs/dbraw/zinc/23/65/33/400236533.db2.gz PUMHCWUVOZFZKS-CQSZACIVSA-N 1 0 320.389 3.006 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000610342106 400244987 /nfs/dbraw/zinc/24/49/87/400244987.db2.gz QQGPXZCCPDZHPI-OLZOCXBDSA-N 1 0 319.405 3.480 20 5 DGBDRO C[C@@H]1C[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1 ZINC000610370634 400252671 /nfs/dbraw/zinc/25/26/71/400252671.db2.gz FGCAFYQFRGZVQO-CHWSQXEVSA-N 1 0 310.419 3.190 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000022500638 400202273 /nfs/dbraw/zinc/20/22/73/400202273.db2.gz PLDJHHUKCKOWBE-MRXNPFEDSA-N 1 0 312.373 3.239 20 5 DGBDRO O=[N+]([O-])c1sccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067905648 400215198 /nfs/dbraw/zinc/21/51/98/400215198.db2.gz ODRNOPKOHRAFEO-ZDUSSCGKSA-N 1 0 303.387 3.343 20 5 DGBDRO Cc1c(C[N@@H+](Cc2ccccc2)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000610161312 400217444 /nfs/dbraw/zinc/21/74/44/400217444.db2.gz IEBZTPYLTOLWIU-AWEZNQCLSA-N 1 0 314.385 3.286 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000027133113 400267535 /nfs/dbraw/zinc/26/75/35/400267535.db2.gz MWEYLHNQIXTRPQ-GFCCVEGCSA-N 1 0 307.394 3.208 20 5 DGBDRO [NH3+]CCN(Cc1nccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000589191404 400274084 /nfs/dbraw/zinc/27/40/84/400274084.db2.gz VUSGUZZVFMFHLH-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO CN(CC[NH+](C)C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000589191905 400274089 /nfs/dbraw/zinc/27/40/89/400274089.db2.gz WICGAZOPPNIYDY-UHFFFAOYSA-N 1 0 319.430 3.317 20 5 DGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206615 400276924 /nfs/dbraw/zinc/27/69/24/400276924.db2.gz WYFLZIURQOAQCD-CZUORRHYSA-N 1 0 323.824 3.164 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000589209550 400276964 /nfs/dbraw/zinc/27/69/64/400276964.db2.gz MSOOKGGYGGZTRA-ZDUSSCGKSA-N 1 0 320.389 3.234 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCCc3ncccc32)cc1[N+](=O)[O-] ZINC000601265567 400278711 /nfs/dbraw/zinc/27/87/11/400278711.db2.gz RAIVLRVMQFSMEW-OAHLLOKOSA-N 1 0 313.357 3.166 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858015 400282321 /nfs/dbraw/zinc/28/23/21/400282321.db2.gz QIDZJICCNYQLTN-CPIKKWJDSA-N 1 0 317.389 3.185 20 5 DGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595856444 400282436 /nfs/dbraw/zinc/28/24/36/400282436.db2.gz CNZRHNARTBWKRJ-AGUYFDCRSA-N 1 0 317.389 3.186 20 5 DGBDRO CCC[C@@H](CCO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000601289337 400285338 /nfs/dbraw/zinc/28/53/38/400285338.db2.gz LIHASDUKYPZNJH-HOTGVXAUSA-N 1 0 306.406 3.057 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000589571692 400306138 /nfs/dbraw/zinc/30/61/38/400306138.db2.gz GNGWVMQLSVQBOU-SNVBAGLBSA-N 1 0 317.336 3.338 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000596070181 400308383 /nfs/dbraw/zinc/30/83/83/400308383.db2.gz PHZFLOZKRSUPPE-KRWDZBQOSA-N 1 0 321.421 3.274 20 5 DGBDRO COc1cc(NCC[NH2+]C(C)(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596105980 400318770 /nfs/dbraw/zinc/31/87/70/400318770.db2.gz RJFBHPNRTGZHIS-UHFFFAOYSA-N 1 0 301.774 3.057 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000026468685 400258022 /nfs/dbraw/zinc/25/80/22/400258022.db2.gz ALTSKPGOPXCWJN-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CO)CCCCC1 ZINC000611336424 400379591 /nfs/dbraw/zinc/37/95/91/400379591.db2.gz MFLRBOABYGEFHN-AWEZNQCLSA-N 1 0 306.406 3.497 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000072635482 400394559 /nfs/dbraw/zinc/39/45/59/400394559.db2.gz FYNKYGZGAATWBQ-CABCVRRESA-N 1 0 303.406 3.216 20 5 DGBDRO C[NH+](C)C[C@H]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596189869 400345589 /nfs/dbraw/zinc/34/55/89/400345589.db2.gz MLYJWULCUUPTQB-SNVBAGLBSA-N 1 0 317.311 3.002 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC2(CCOC2)CC1 ZINC000611177399 400354713 /nfs/dbraw/zinc/35/47/13/400354713.db2.gz IXNHQHLOZQPIBH-UHFFFAOYSA-N 1 0 310.781 3.251 20 5 DGBDRO CC[NH+](CC)Cc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000070792768 400357322 /nfs/dbraw/zinc/35/73/22/400357322.db2.gz OWBZMEOJGUPUHV-UHFFFAOYSA-N 1 0 314.389 3.444 20 5 DGBDRO COc1cc(N[C@H](C)C[N@H+](C)C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596239172 400357990 /nfs/dbraw/zinc/35/79/90/400357990.db2.gz YJCHGRBKAZCPAK-SNVBAGLBSA-N 1 0 315.801 3.397 20 5 DGBDRO CC[C@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[NH+](CC)CC ZINC000590549480 400395138 /nfs/dbraw/zinc/39/51/38/400395138.db2.gz GNJRBCWPWHAUKO-CYBMUJFWSA-N 1 0 307.394 3.271 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000111398508 400363587 /nfs/dbraw/zinc/36/35/87/400363587.db2.gz ZJNDIPFHVZWICN-HZPDHXFCSA-N 1 0 312.369 3.497 20 5 DGBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)C1 ZINC000596267996 400366986 /nfs/dbraw/zinc/36/69/86/400366986.db2.gz BDKSAVGSLDFYDO-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO CCOC(=O)CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000611265282 400368345 /nfs/dbraw/zinc/36/83/45/400368345.db2.gz MMVOSIGTDFSFIS-ALCCZGGFSA-N 1 0 318.373 3.026 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000596306456 400375886 /nfs/dbraw/zinc/37/58/86/400375886.db2.gz DKSUBUJKFVOHBN-JTQLQIEISA-N 1 0 313.348 3.405 20 5 DGBDRO CCOc1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596308472 400375990 /nfs/dbraw/zinc/37/59/90/400375990.db2.gz SQWOXJYRKMCOAZ-ZDUSSCGKSA-N 1 0 307.394 3.278 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000596306587 400376012 /nfs/dbraw/zinc/37/60/12/400376012.db2.gz GVZVMGKSGGSXML-AWEZNQCLSA-N 1 0 307.394 3.026 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000596306467 400376227 /nfs/dbraw/zinc/37/62/27/400376227.db2.gz DKSUBUJKFVOHBN-SNVBAGLBSA-N 1 0 313.348 3.405 20 5 DGBDRO CCC1(O)CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000611314651 400378216 /nfs/dbraw/zinc/37/82/16/400378216.db2.gz YBMSUNDZELYRIB-FNORWQNLSA-N 1 0 304.390 3.281 20 5 DGBDRO C[C@H](CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000596428614 400413516 /nfs/dbraw/zinc/41/35/16/400413516.db2.gz FUJJXWYBLWIYKG-SECBINFHSA-N 1 0 305.300 3.366 20 5 DGBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000072744345 400400648 /nfs/dbraw/zinc/40/06/48/400400648.db2.gz XLTTWFMJMIFWSL-YERXGYGTSA-N 1 0 304.390 3.403 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C(C)C)C(C)C ZINC000611434222 400400879 /nfs/dbraw/zinc/40/08/79/400400879.db2.gz XUXKUIBTJRYRIG-UHFFFAOYSA-N 1 0 307.394 3.112 20 5 DGBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000590599340 400401226 /nfs/dbraw/zinc/40/12/26/400401226.db2.gz AJSHIAJRYRHXHT-XDTLVQLUSA-N 1 0 320.311 3.193 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CO)CCCCC1 ZINC000611462825 400404691 /nfs/dbraw/zinc/40/46/91/400404691.db2.gz BYRFYBUXFNOTMW-UHFFFAOYSA-N 1 0 322.405 3.167 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1cocn1 ZINC000611473900 400408156 /nfs/dbraw/zinc/40/81/56/400408156.db2.gz BJIPQSPJZLLKMA-WFASDCNBSA-N 1 0 301.346 3.084 20 5 DGBDRO COC1([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000421864126 292149158 /nfs/dbraw/zinc/14/91/58/292149158.db2.gz LGSVNRSPCVIWJD-KGLIPLIRSA-N 1 0 322.405 3.138 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596478963 400424373 /nfs/dbraw/zinc/42/43/73/400424373.db2.gz QJYHJTKAFAPWPA-ZDUSSCGKSA-N 1 0 304.394 3.117 20 5 DGBDRO C[N@H+](CCCOc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000042133267 400424989 /nfs/dbraw/zinc/42/49/89/400424989.db2.gz SGKKCQFWCLOROA-UHFFFAOYSA-N 1 0 300.358 3.496 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000596515999 400435843 /nfs/dbraw/zinc/43/58/43/400435843.db2.gz BLHGLGNTASGSKJ-LLVKDONJSA-N 1 0 315.320 3.092 20 5 DGBDRO CCO[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000590756969 400429620 /nfs/dbraw/zinc/42/96/20/400429620.db2.gz VDXOZKGRJABSTD-RHSMWYFYSA-N 1 0 322.405 3.111 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596541436 400440248 /nfs/dbraw/zinc/44/02/48/400440248.db2.gz FXYWQGPUTOYEQX-UHFFFAOYSA-N 1 0 323.422 3.132 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000121476124 400454802 /nfs/dbraw/zinc/45/48/02/400454802.db2.gz BLJHBDJJGJPQGY-OFQRWUPVSA-N 1 0 306.406 3.057 20 5 DGBDRO CC1CC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602573847 400500423 /nfs/dbraw/zinc/50/04/23/400500423.db2.gz VRROJIRTRMXQES-UHFFFAOYSA-N 1 0 305.197 3.307 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000074311679 400503161 /nfs/dbraw/zinc/50/31/61/400503161.db2.gz JXQJOCMBQWYVFW-GOSISDBHSA-N 1 0 312.369 3.077 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc(CO)cc1 ZINC000602603192 400509719 /nfs/dbraw/zinc/50/97/19/400509719.db2.gz MSLXANYOVPXMJI-UHFFFAOYSA-N 1 0 320.776 3.073 20 5 DGBDRO CC1(C)C[C@@H](NCC2([NH3+])CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000596648655 400472354 /nfs/dbraw/zinc/47/23/54/400472354.db2.gz URAQMZMWCIVFEO-OAHLLOKOSA-N 1 0 303.406 3.178 20 5 DGBDRO CC(C)CC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602504858 400482947 /nfs/dbraw/zinc/48/29/47/400482947.db2.gz MVNBJNCSPCIYNY-CQSZACIVSA-N 1 0 320.437 3.373 20 5 DGBDRO CN1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347870 400512467 /nfs/dbraw/zinc/51/24/67/400512467.db2.gz GEPRRYHRKFWTPG-QGZVFWFLSA-N 1 0 303.406 3.046 20 5 DGBDRO C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602510398 400483567 /nfs/dbraw/zinc/48/35/67/400483567.db2.gz NHOILNFQZLYWOP-HIFRSBDPSA-N 1 0 318.421 3.127 20 5 DGBDRO COCCCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602515459 400485128 /nfs/dbraw/zinc/48/51/28/400485128.db2.gz VXQGEMIBRJINFZ-UHFFFAOYSA-N 1 0 306.284 3.130 20 5 DGBDRO COc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000602519390 400486922 /nfs/dbraw/zinc/48/69/22/400486922.db2.gz XXFKZWMTGVVANP-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO CO[C@H](C)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602527729 400488716 /nfs/dbraw/zinc/48/87/16/400488716.db2.gz KOQSGUNLIMOVNH-SECBINFHSA-N 1 0 306.284 3.128 20 5 DGBDRO CCC[C@H](CC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602546839 400493448 /nfs/dbraw/zinc/49/34/48/400493448.db2.gz XZWWPJOLUDKNLD-ZDUSSCGKSA-N 1 0 306.410 3.127 20 5 DGBDRO Cc1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)sn1 ZINC000602559909 400496059 /nfs/dbraw/zinc/49/60/59/400496059.db2.gz JPZBKKMKDHZNLX-UHFFFAOYSA-N 1 0 305.403 3.472 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000602791173 400574924 /nfs/dbraw/zinc/57/49/24/400574924.db2.gz MAJAGNGOXFVJLC-ZDUSSCGKSA-N 1 0 314.389 3.325 20 5 DGBDRO CO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000602641945 400520932 /nfs/dbraw/zinc/52/09/32/400520932.db2.gz VXMCXJIPYRCEPL-CYBMUJFWSA-N 1 0 318.295 3.128 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCC(F)(F)C3)nc2c1 ZINC000602643232 400522415 /nfs/dbraw/zinc/52/24/15/400522415.db2.gz OPFWQDWVCNUSGF-VIFPVBQESA-N 1 0 311.288 3.261 20 5 DGBDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602679599 400537054 /nfs/dbraw/zinc/53/70/54/400537054.db2.gz RACJYIWQTSHTPO-JTQLQIEISA-N 1 0 320.311 3.254 20 5 DGBDRO CC1(C)C[C@H](NC[C@H]2CCCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000591577831 400541268 /nfs/dbraw/zinc/54/12/68/400541268.db2.gz IDNABEFCCWTVRS-WBMJQRKESA-N 1 0 303.406 3.049 20 5 DGBDRO C[C@@H]([NH3+])CN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591580660 400543044 /nfs/dbraw/zinc/54/30/44/400543044.db2.gz JCXHKCWEVYYQEF-MNOVXSKESA-N 1 0 305.403 3.321 20 5 DGBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000602716246 400549909 /nfs/dbraw/zinc/54/99/09/400549909.db2.gz CHFSDGNWQLLYEV-OAHLLOKOSA-N 1 0 319.361 3.031 20 5 DGBDRO CSc1ccccc1[C@@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602831181 400586464 /nfs/dbraw/zinc/58/64/64/400586464.db2.gz ZZWPENMIMUMDFW-LLVKDONJSA-N 1 0 320.418 3.172 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000597211683 400589642 /nfs/dbraw/zinc/58/96/42/400589642.db2.gz NOAGNAMSLIWNJJ-RHSMWYFYSA-N 1 0 304.390 3.187 20 5 DGBDRO C[C@@H](O)C1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000597234368 400595217 /nfs/dbraw/zinc/59/52/17/400595217.db2.gz JXQLLUIJXBWEJV-LLVKDONJSA-N 1 0 318.398 3.326 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccsc1)C(C)(C)C ZINC000602885299 400598780 /nfs/dbraw/zinc/59/87/80/400598780.db2.gz SSZTWOKTRKWLHP-UHFFFAOYSA-N 1 0 322.434 3.462 20 5 DGBDRO Cc1cccc2nc(CC[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000592402569 400647051 /nfs/dbraw/zinc/64/70/51/400647051.db2.gz JEUBMAHMAGVHJF-AWEZNQCLSA-N 1 0 324.384 3.444 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000150070553 400663098 /nfs/dbraw/zinc/66/30/98/400663098.db2.gz ODITWRATURTUMF-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO Cc1ccc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000592525595 400664992 /nfs/dbraw/zinc/66/49/92/400664992.db2.gz AFFQOSKCNGIZNE-CQSZACIVSA-N 1 0 304.390 3.294 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157668748 400718467 /nfs/dbraw/zinc/71/84/67/400718467.db2.gz CFTMPXHAEZZISL-GHMZBOCLSA-N 1 0 316.361 3.484 20 5 DGBDRO C[C@](O)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000077460304 400718584 /nfs/dbraw/zinc/71/85/84/400718584.db2.gz XQYNORLXNYTVDL-NBUZRDOWSA-N 1 0 318.398 3.167 20 5 DGBDRO Cc1c(C[N@H+](C)CCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000603839309 400720985 /nfs/dbraw/zinc/72/09/85/400720985.db2.gz OCHCSBIWCIRPKE-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cccnc2[N+](=O)[O-])C1 ZINC000603860708 400725757 /nfs/dbraw/zinc/72/57/57/400725757.db2.gz UPKJEUUYZVVXMI-OKILXGFUSA-N 1 0 306.410 3.160 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000603864381 400726767 /nfs/dbraw/zinc/72/67/67/400726767.db2.gz BQZHRZKXFTYMEH-CALCHBBNSA-N 1 0 323.396 3.163 20 5 DGBDRO Cc1c(C[N@H+](C)Cc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000051588772 400706125 /nfs/dbraw/zinc/70/61/25/400706125.db2.gz RJFVUNYJSDEULD-UHFFFAOYSA-N 1 0 314.341 3.264 20 5 DGBDRO Cc1cnc(NCCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000078631139 400816457 /nfs/dbraw/zinc/81/64/57/400816457.db2.gz FBJREVOEJMQCAE-AWEZNQCLSA-N 1 0 306.410 3.365 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCC(C)C)cccc1[N+](=O)[O-] ZINC000053365428 400777778 /nfs/dbraw/zinc/77/77/78/400777778.db2.gz HWHIJSZVDYSNHV-ZDUSSCGKSA-N 1 0 307.394 3.208 20 5 DGBDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000593597215 400877753 /nfs/dbraw/zinc/87/77/53/400877753.db2.gz VRLUMGPTPJHYMA-ZDUSSCGKSA-N 1 0 310.394 3.144 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676246 400854995 /nfs/dbraw/zinc/85/49/95/400854995.db2.gz FROZUCQDSIWTGM-UKRRQHHQSA-N 1 0 306.406 3.169 20 5 DGBDRO CC(C)c1ccc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721662 400864942 /nfs/dbraw/zinc/86/49/42/400864942.db2.gz VTJSUVJJSWIIQW-YOEHRIQHSA-N 1 0 303.406 3.031 20 5 DGBDRO CC(C)O[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000593660332 400887623 /nfs/dbraw/zinc/88/76/23/400887623.db2.gz PCTOEERZAVGYLV-WHWKNOJMSA-N 1 0 304.390 3.497 20 5 DGBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCCO1 ZINC000599047414 400938262 /nfs/dbraw/zinc/93/82/62/400938262.db2.gz WATWYWDTBKBQMS-SJCJKPOMSA-N 1 0 317.389 3.166 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000599084396 400954795 /nfs/dbraw/zinc/95/47/95/400954795.db2.gz CAVIVCLKUCTDMJ-VMGRFDJRSA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCCOC1 ZINC000599054557 400940992 /nfs/dbraw/zinc/94/09/92/400940992.db2.gz BQJGPXITIMUQEU-HUUCEWRRSA-N 1 0 306.406 3.322 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000599055359 400941692 /nfs/dbraw/zinc/94/16/92/400941692.db2.gz FLJKJTLQBIFASN-STQMWFEESA-N 1 0 308.378 3.071 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069299 400949115 /nfs/dbraw/zinc/94/91/15/400949115.db2.gz FKLKHOIQPPOHJZ-HUUCEWRRSA-N 1 0 305.422 3.286 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000593677230 400890183 /nfs/dbraw/zinc/89/01/83/400890183.db2.gz VMWNSMSTDYVVSM-BAAYTWLHSA-N 1 0 318.417 3.339 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)C1CCCCC1 ZINC000182693701 400895962 /nfs/dbraw/zinc/89/59/62/400895962.db2.gz RKXRPWRZTMGWBP-CYBMUJFWSA-N 1 0 319.405 3.400 20 5 DGBDRO COc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1[N+](=O)[O-] ZINC000594026375 400952291 /nfs/dbraw/zinc/95/22/91/400952291.db2.gz KFFQQNOOYUCRCT-HNNXBMFYSA-N 1 0 320.389 3.137 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCCC1 ZINC000056197337 400914521 /nfs/dbraw/zinc/91/45/21/400914521.db2.gz FOUPIKQVOKCZTR-STQMWFEESA-N 1 0 319.405 3.083 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)cc1[N+](=O)[O-] ZINC000598987914 400922044 /nfs/dbraw/zinc/92/20/44/400922044.db2.gz NPDRJGBZMKQYLH-DYVFJYSZSA-N 1 0 304.390 3.375 20 5 DGBDRO C[N@@H+]1CCCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598993398 400922612 /nfs/dbraw/zinc/92/26/12/400922612.db2.gz AWLMXQMWTAMXNV-LBPRGKRZSA-N 1 0 311.813 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)c(Cl)c1 ZINC000598998678 400924624 /nfs/dbraw/zinc/92/46/24/400924624.db2.gz UHMLOOMXPDETDM-HNNXBMFYSA-N 1 0 323.824 3.355 20 5 DGBDRO COc1cc(C[NH2+]CC[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000599000176 400925024 /nfs/dbraw/zinc/92/50/24/400925024.db2.gz LLGJCWDUTYBDOD-CYBMUJFWSA-N 1 0 320.389 3.448 20 5 DGBDRO COc1cc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000599005774 400925079 /nfs/dbraw/zinc/92/50/79/400925079.db2.gz SMJSRSCRLRVTNU-DPIQGUFMSA-N 1 0 320.389 3.138 20 5 DGBDRO CC(C)c1ccc(C[NH2+]Cc2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC000599006104 400925426 /nfs/dbraw/zinc/92/54/26/400925426.db2.gz IYGPALOYHLWZNI-UHFFFAOYSA-N 1 0 301.346 3.109 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599038798 400934277 /nfs/dbraw/zinc/93/42/77/400934277.db2.gz SWZPULKXJMWZRR-UHFFFAOYSA-N 1 0 314.389 3.110 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000057364297 400991465 /nfs/dbraw/zinc/99/14/65/400991465.db2.gz ZLSGZAXMYVCWRW-INIZCTEOSA-N 1 0 314.389 3.485 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080960527 401007272 /nfs/dbraw/zinc/00/72/72/401007272.db2.gz MGPQRAVCPHFOFW-STQMWFEESA-N 1 0 300.362 3.259 20 5 DGBDRO CC(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000615141188 401015103 /nfs/dbraw/zinc/01/51/03/401015103.db2.gz HHJOQPWGHYXKKN-CYBMUJFWSA-N 1 0 320.389 3.234 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCC23CC3)n1 ZINC000599091260 400957123 /nfs/dbraw/zinc/95/71/23/400957123.db2.gz IYVUDNJULYNLHF-QLFBSQMISA-N 1 0 318.421 3.445 20 5 DGBDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594041455 400960635 /nfs/dbraw/zinc/96/06/35/400960635.db2.gz NLWBCYZEKIMRCJ-HNNXBMFYSA-N 1 0 308.378 3.051 20 5 DGBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000080611250 400969233 /nfs/dbraw/zinc/96/92/33/400969233.db2.gz FMFKPRAKQOEEFD-GFCCVEGCSA-N 1 0 309.797 3.231 20 5 DGBDRO C[C@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599512364 401062195 /nfs/dbraw/zinc/06/21/95/401062195.db2.gz IZYFNFBZNLZTRT-RYUDHWBXSA-N 1 0 314.332 3.197 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000599552243 401074842 /nfs/dbraw/zinc/07/48/42/401074842.db2.gz YWCFZFROCGQIGE-UHFFFAOYSA-N 1 0 314.332 3.485 20 5 DGBDRO C[N@H+](CCOc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000057951637 401037879 /nfs/dbraw/zinc/03/78/79/401037879.db2.gz VURISUNLBDLYSD-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO CCC[NH+](CCC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000060090178 401100745 /nfs/dbraw/zinc/10/07/45/401100745.db2.gz FKCPBCLTAJTELR-UHFFFAOYSA-N 1 0 307.394 3.354 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCC3(CCCCC3)CC2)c1 ZINC000615561508 401104044 /nfs/dbraw/zinc/10/40/44/401104044.db2.gz QDJBIMUJYXKTIV-UHFFFAOYSA-N 1 0 306.410 3.274 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594598799 401123725 /nfs/dbraw/zinc/12/37/25/401123725.db2.gz HYGUITHLQQKKFY-QWHCGFSZSA-N 1 0 310.785 3.072 20 5 DGBDRO CC(=O)c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594600556 401125810 /nfs/dbraw/zinc/12/58/10/401125810.db2.gz MBLYXTPKNQISAM-HOCLYGCPSA-N 1 0 317.389 3.226 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594603338 401127459 /nfs/dbraw/zinc/12/74/59/401127459.db2.gz UHZGFPZGZAXXFB-SJORKVTESA-N 1 0 319.405 3.170 20 5 DGBDRO COc1cc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000599597645 401089153 /nfs/dbraw/zinc/08/91/53/401089153.db2.gz WFVBEIHCCRXOIB-QGZVFWFLSA-N 1 0 322.405 3.024 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594514346 401090606 /nfs/dbraw/zinc/09/06/06/401090606.db2.gz OAWAMCWHJBSHLI-NWDGAFQWSA-N 1 0 308.378 3.223 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000594518209 401096216 /nfs/dbraw/zinc/09/62/16/401096216.db2.gz NBEGAGXYUMUQGO-QKRUOFELSA-N 1 0 324.380 3.246 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594519394 401097266 /nfs/dbraw/zinc/09/72/66/401097266.db2.gz KHYIOSPHMZUKJH-QRTARXTBSA-N 1 0 303.406 3.262 20 5 DGBDRO CC[N@@H+]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000615835315 401161487 /nfs/dbraw/zinc/16/14/87/401161487.db2.gz ISOVGUGJICBBAI-LTBFUDJGSA-N 1 0 303.406 3.024 20 5 DGBDRO [NH3+]C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCC1 ZINC000594738036 401165897 /nfs/dbraw/zinc/16/58/97/401165897.db2.gz ATOAQBKOFPUQBG-UHFFFAOYSA-N 1 0 315.373 3.216 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000358308139 286027203 /nfs/dbraw/zinc/02/72/03/286027203.db2.gz SIAWTHQSTDFAJO-DAXOMENPSA-N 1 0 304.390 3.073 20 5 DGBDRO CCC[NH+]1CCC(N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595004006 401225499 /nfs/dbraw/zinc/22/54/99/401225499.db2.gz MJWNZIADURRBFS-CYBMUJFWSA-N 1 0 321.421 3.128 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000063738980 401214333 /nfs/dbraw/zinc/21/43/33/401214333.db2.gz GDQHFNONHPJPHD-GFCCVEGCSA-N 1 0 322.365 3.035 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1(C)COC1 ZINC000600190195 401215624 /nfs/dbraw/zinc/21/56/24/401215624.db2.gz KSBQYLTVQXZZOW-UHFFFAOYSA-N 1 0 316.357 3.323 20 5 DGBDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000594976535 401216317 /nfs/dbraw/zinc/21/63/17/401216317.db2.gz PCENOKGOVOJJNG-CQSZACIVSA-N 1 0 318.373 3.351 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2ccoc2)c1 ZINC000594982546 401217458 /nfs/dbraw/zinc/21/74/58/401217458.db2.gz VJXYVZWLVLZEJV-UHFFFAOYSA-N 1 0 312.272 3.122 20 5 DGBDRO C[C@H](CN1CCC(C)CC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000594978897 401218295 /nfs/dbraw/zinc/21/82/95/401218295.db2.gz CTMUMJWCZJQZMK-GMNBZTITSA-N 1 0 317.433 3.318 20 5 DGBDRO COc1cc(Cn2c(C)[nH+]c3c2CCCC3)c([N+](=O)[O-])cc1F ZINC000594897694 401181162 /nfs/dbraw/zinc/18/11/62/401181162.db2.gz SNXMEESLEGCZNN-UHFFFAOYSA-N 1 0 319.336 3.175 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000595001107 401224021 /nfs/dbraw/zinc/22/40/21/401224021.db2.gz QKNWIRHQWNIRKW-KSSFIOAISA-N 1 0 314.385 3.157 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000595010603 401229628 /nfs/dbraw/zinc/22/96/28/401229628.db2.gz CONZJPKTDRIJIW-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595008752 401230066 /nfs/dbraw/zinc/23/00/66/401230066.db2.gz QLANZHAJXKIUGA-STQMWFEESA-N 1 0 310.394 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000595012699 401230787 /nfs/dbraw/zinc/23/07/87/401230787.db2.gz NRBSJZSRBBNMFR-QWHCGFSZSA-N 1 0 315.373 3.453 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](CCO)CC(C)C ZINC000595011035 401231545 /nfs/dbraw/zinc/23/15/45/401231545.db2.gz GLSBUWXQYFZUKG-KGLIPLIRSA-N 1 0 324.421 3.299 20 5 DGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000065208345 401259649 /nfs/dbraw/zinc/25/96/49/401259649.db2.gz NJMMNKUSGLTRGC-UHFFFAOYSA-N 1 0 300.358 3.496 20 5 DGBDRO CCC(=O)c1ccc(NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000358959424 286198378 /nfs/dbraw/zinc/19/83/78/286198378.db2.gz XEICFJYNQIXVSN-ZDUSSCGKSA-N 1 0 319.405 3.331 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000359110613 286239523 /nfs/dbraw/zinc/23/95/23/286239523.db2.gz SIQGSEGJQMHOAZ-CQSZACIVSA-N 1 0 306.410 3.283 20 5 DGBDRO Cc1ccn2c(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cnc2c1 ZINC000359801225 286382834 /nfs/dbraw/zinc/38/28/34/286382834.db2.gz KQGOVLZXDIDUKW-UHFFFAOYSA-N 1 0 310.357 3.149 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161977837 292296892 /nfs/dbraw/zinc/29/68/92/292296892.db2.gz GFRUKUOQIVZVFO-MZGVZZPPSA-N 1 0 304.390 3.367 20 5 DGBDRO COc1cccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000185452746 286456648 /nfs/dbraw/zinc/45/66/48/286456648.db2.gz XGKDZXGFBQRQFJ-AWEZNQCLSA-N 1 0 319.405 3.058 20 5 DGBDRO Cc1cc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)ncc1[N+](=O)[O-] ZINC000408278847 165951913 /nfs/dbraw/zinc/95/19/13/165951913.db2.gz YRZACERHHJBBRD-KFWWJZLASA-N 1 0 318.421 3.140 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000183228499 287062222 /nfs/dbraw/zinc/06/22/22/287062222.db2.gz FGIIERVKRYLORS-CAPXZKIUSA-N 1 0 302.374 3.203 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC000182116533 164929969 /nfs/dbraw/zinc/92/99/69/164929969.db2.gz OBOWEIJXIWQUHU-HNNXBMFYSA-N 1 0 323.824 3.308 20 5 DGBDRO CCC[N@H+](CC)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000184479764 164978637 /nfs/dbraw/zinc/97/86/37/164978637.db2.gz YPHMSDUMLQEJAE-UHFFFAOYSA-N 1 0 322.409 3.065 20 5 DGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185667225 165012414 /nfs/dbraw/zinc/01/24/14/165012414.db2.gz DFMINPJCWVCBRA-BLLLJJGKSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](CC3CCCCC3)CC2)s1 ZINC000195510246 165372069 /nfs/dbraw/zinc/37/20/69/165372069.db2.gz BXVMEAAFBGVSAX-UHFFFAOYSA-N 1 0 324.450 3.144 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](CO)C(C)(C)C ZINC000182354122 432182302 /nfs/dbraw/zinc/18/23/02/432182302.db2.gz ALUPEJWPTUZFMX-CYBMUJFWSA-N 1 0 300.786 3.087 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000246864730 432173790 /nfs/dbraw/zinc/17/37/90/432173790.db2.gz CQVSSTUWAZBSLB-IAOVAPTHSA-N 1 0 306.406 3.495 20 5 DGBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246940441 432183445 /nfs/dbraw/zinc/18/34/45/432183445.db2.gz GVTASPMOUOPZFU-GFZCPQIUSA-N 1 0 324.446 3.325 20 5 DGBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000171954644 432185690 /nfs/dbraw/zinc/18/56/90/432185690.db2.gz LVTAAUSMSWVAGX-CQSZACIVSA-N 1 0 319.408 3.070 20 5 DGBDRO CC[C@H]1CCCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000150738145 432189413 /nfs/dbraw/zinc/18/94/13/432189413.db2.gz GTEGFJLVOKPCMC-AWEZNQCLSA-N 1 0 319.405 3.496 20 5 DGBDRO C[C@H](c1ccco1)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269660669 432193870 /nfs/dbraw/zinc/19/38/70/432193870.db2.gz QBMMGWZGWDRJKE-WBMJQRKESA-N 1 0 316.357 3.447 20 5 DGBDRO Cc1c([C@H](C)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000247037756 432194126 /nfs/dbraw/zinc/19/41/26/432194126.db2.gz LPNLLLOYIKHTRS-SOUVJXGZSA-N 1 0 305.422 3.427 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247030390 432194494 /nfs/dbraw/zinc/19/44/94/432194494.db2.gz MFFFKMPVPWPOKG-HIFRSBDPSA-N 1 0 305.422 3.286 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCc3ccccc3C2)c1 ZINC000269666328 432195657 /nfs/dbraw/zinc/19/56/57/432195657.db2.gz SEOPBMZPHZPRDT-SFHVURJKSA-N 1 0 312.369 3.077 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247063643 432197234 /nfs/dbraw/zinc/19/72/34/432197234.db2.gz VEGSTGZMLNHVNU-NOLJZWGESA-N 1 0 322.430 3.300 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCc2cn3ccccc3n2)cccc1[N+](=O)[O-] ZINC000130617962 196096174 /nfs/dbraw/zinc/09/61/74/196096174.db2.gz GXSNXKHPTIDLFG-CQSZACIVSA-N 1 0 324.384 3.444 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000130722067 196104023 /nfs/dbraw/zinc/10/40/23/196104023.db2.gz PGOHKJAEZMMORV-UHFFFAOYSA-N 1 0 302.330 3.231 20 5 DGBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182594715 432209126 /nfs/dbraw/zinc/20/91/26/432209126.db2.gz IZPIDMKXJSOUHR-UONOGXRCSA-N 1 0 320.389 3.239 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)CO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000247205435 432211075 /nfs/dbraw/zinc/21/10/75/432211075.db2.gz VGMYFRQPPPZERL-JQFCIGGWSA-N 1 0 322.405 3.220 20 5 DGBDRO Cc1cnn(-c2cc[nH+]cc2NCc2csc([N+](=O)[O-])c2)c1 ZINC000182669495 432215545 /nfs/dbraw/zinc/21/55/45/432215545.db2.gz MCNOIRSOCRVKJJ-UHFFFAOYSA-N 1 0 315.358 3.158 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000132138369 196229418 /nfs/dbraw/zinc/22/94/18/196229418.db2.gz GOYHNVGRAGXONC-QZTJIDSGSA-N 1 0 314.385 3.239 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000132394964 196252808 /nfs/dbraw/zinc/25/28/08/196252808.db2.gz SEVSOPMGIQMGPI-HNNXBMFYSA-N 1 0 305.422 3.286 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000132550839 196264313 /nfs/dbraw/zinc/26/43/13/196264313.db2.gz YRLQBDQDNGNOEU-YPMHNXCESA-N 1 0 312.460 3.402 20 5 DGBDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c1 ZINC000271641315 209086574 /nfs/dbraw/zinc/08/65/74/209086574.db2.gz HGJAUKHCMIGACB-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO C[C@H](CCCO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000296626007 226063884 /nfs/dbraw/zinc/06/38/84/226063884.db2.gz XEAGAKBWLXSLOI-WBMJQRKESA-N 1 0 306.406 3.315 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000162500521 228257937 /nfs/dbraw/zinc/25/79/37/228257937.db2.gz OCHCQQAZTNPKHZ-LBPRGKRZSA-N 1 0 322.409 3.001 20 5 DGBDRO Cc1ccc([C@@H](C)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000171141360 228269761 /nfs/dbraw/zinc/26/97/61/228269761.db2.gz VUFBPXBNKHYFDX-DZGCQCFKSA-N 1 0 305.422 3.286 20 5 DGBDRO Cc1ccc([C@H](C)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000171141357 228270192 /nfs/dbraw/zinc/27/01/92/228270192.db2.gz VUFBPXBNKHYFDX-HIFRSBDPSA-N 1 0 305.422 3.286 20 5 DGBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000181685735 228363991 /nfs/dbraw/zinc/36/39/91/228363991.db2.gz FPNDKEFBWDYSPJ-INIZCTEOSA-N 1 0 300.358 3.381 20 5 DGBDRO Cc1cccc2ncc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])n21 ZINC000348675009 229206659 /nfs/dbraw/zinc/20/66/59/229206659.db2.gz PINVOQFLDKYWHP-UHFFFAOYSA-N 1 0 324.384 3.225 20 5 DGBDRO C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+](C)C ZINC000357767295 229353098 /nfs/dbraw/zinc/35/30/98/229353098.db2.gz RZCXQRPPDYMSOL-CYBMUJFWSA-N 1 0 307.397 3.068 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(NCCC[NH+]3CCCCC3)ccc2c1 ZINC000301114030 229508852 /nfs/dbraw/zinc/50/88/52/229508852.db2.gz VJGWBVMXUCWYLT-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2ccc(CC[NH+]3CCCC3)cc2)nc1 ZINC000301204315 229559390 /nfs/dbraw/zinc/55/93/90/229559390.db2.gz RRLLJIAIVYXVMI-UHFFFAOYSA-N 1 0 312.373 3.372 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000301968134 230009646 /nfs/dbraw/zinc/00/96/46/230009646.db2.gz XQBZIJYQUMSUDC-LBPRGKRZSA-N 1 0 306.410 3.221 20 5 DGBDRO C[NH+](C)[C@H](CNc1sccc1[N+](=O)[O-])Cc1ccccc1 ZINC000301985128 230020599 /nfs/dbraw/zinc/02/05/99/230020599.db2.gz JKXOQJJUQMGCLJ-ZDUSSCGKSA-N 1 0 305.403 3.241 20 5 DGBDRO Cc1cc(N(C)C[C@@H]2CCC[C@@H]2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302056618 230069643 /nfs/dbraw/zinc/06/96/43/230069643.db2.gz AXGMEGNWSVFRGB-SJCJKPOMSA-N 1 0 315.373 3.049 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ncc([N+](=O)[O-])cc1F ZINC000413058937 230121861 /nfs/dbraw/zinc/12/18/61/230121861.db2.gz IZUSXORVVSBHHH-LBPRGKRZSA-N 1 0 310.373 3.195 20 5 DGBDRO Cc1cc(N(C)C[C@@H]2CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302145342 230122170 /nfs/dbraw/zinc/12/21/70/230122170.db2.gz GKJBKZFHDROYDS-ZDUSSCGKSA-N 1 0 315.373 3.314 20 5 DGBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000413082754 230128194 /nfs/dbraw/zinc/12/81/94/230128194.db2.gz HTLLHKNEFLZNPO-OAHLLOKOSA-N 1 0 318.352 3.152 20 5 DGBDRO Cc1cc(N[C@@H]2C[C@@H]3OCCC[C@@H]23)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302564246 230298910 /nfs/dbraw/zinc/29/89/10/230298910.db2.gz NZYRKEQFNLLZPZ-VUCTXSBTSA-N 1 0 313.357 3.431 20 5 DGBDRO CC[C@H](CCO)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180608467 263575970 /nfs/dbraw/zinc/57/59/70/263575970.db2.gz JPIDPUORBGYXTH-AEFFLSMTSA-N 1 0 314.385 3.435 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCOC(F)F ZINC000194024634 263805399 /nfs/dbraw/zinc/80/53/99/263805399.db2.gz SJXOOYNWNPBUNO-NSHDSACASA-N 1 0 302.321 3.135 20 5 DGBDRO CCc1ccc([C@H]([NH2+]C[C@@H](C)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346452791 264034871 /nfs/dbraw/zinc/03/48/71/264034871.db2.gz XZQMTUXODGXLGY-SJKOYZFVSA-N 1 0 318.373 3.058 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)[NH2+]1 ZINC000347063181 264150145 /nfs/dbraw/zinc/15/01/45/264150145.db2.gz IWDCDYQNPAYMMF-STQMWFEESA-N 1 0 315.373 3.037 20 5 DGBDRO C[C@H](CO)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000347183973 264171262 /nfs/dbraw/zinc/17/12/62/264171262.db2.gz AYFYIGHUEHPUHV-LLVKDONJSA-N 1 0 312.797 3.374 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000347384740 264210743 /nfs/dbraw/zinc/21/07/43/264210743.db2.gz YVICUPCNPIFWQO-OVHOFWQVSA-N 1 0 304.390 3.091 20 5 DGBDRO CCOc1cc(N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000347413848 264216484 /nfs/dbraw/zinc/21/64/84/264216484.db2.gz NOBNDWZMALUNQR-CYBMUJFWSA-N 1 0 321.421 3.160 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000347679664 264266211 /nfs/dbraw/zinc/26/62/11/264266211.db2.gz JRMUTILKRNJPQG-INIZCTEOSA-N 1 0 304.390 3.294 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000348192689 264362105 /nfs/dbraw/zinc/36/21/05/264362105.db2.gz IZYXHTYDOUECGT-UHFFFAOYSA-N 1 0 320.389 3.248 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN(C)C ZINC000348293493 264383770 /nfs/dbraw/zinc/38/37/70/264383770.db2.gz PICPNSQTEZESBR-QWHCGFSZSA-N 1 0 311.451 3.005 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCOC1 ZINC000348719166 264441827 /nfs/dbraw/zinc/44/18/27/264441827.db2.gz ZHOKWLWIMMABCP-ZDUSSCGKSA-N 1 0 316.357 3.466 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1F)c1ccccc1 ZINC000348729677 264442781 /nfs/dbraw/zinc/44/27/81/264442781.db2.gz VGSJJWYIYHOJOA-AWEZNQCLSA-N 1 0 318.352 3.031 20 5 DGBDRO COc1ccc(C[NH2+]CCC2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000350175714 264591698 /nfs/dbraw/zinc/59/16/98/264591698.db2.gz QGSAJRRQCXCXKG-UHFFFAOYSA-N 1 0 322.405 3.288 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000352474374 265062678 /nfs/dbraw/zinc/06/26/78/265062678.db2.gz GKUJRKFVRZZTFD-CYBMUJFWSA-N 1 0 321.421 3.178 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000352613844 265105178 /nfs/dbraw/zinc/10/51/78/265105178.db2.gz ZIWOMVTZYJCASD-LSDHHAIUSA-N 1 0 310.369 3.369 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000352888914 265215634 /nfs/dbraw/zinc/21/56/34/265215634.db2.gz WHFLROHPPZGQIY-ZFWWWQNUSA-N 1 0 322.405 3.119 20 5 DGBDRO CC[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)OC ZINC000353113602 265302189 /nfs/dbraw/zinc/30/21/89/265302189.db2.gz LCCIHHLBDAALCK-CQSZACIVSA-N 1 0 304.346 3.369 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CCOC(F)(F)F)cc1[N+](=O)[O-] ZINC000353195238 265338700 /nfs/dbraw/zinc/33/87/00/265338700.db2.gz UYLCHMNFMLBLDM-UHFFFAOYSA-N 1 0 306.284 3.344 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000354018422 265635838 /nfs/dbraw/zinc/63/58/38/265635838.db2.gz PWUHFSSYBJTROI-MDZLAQPJSA-N 1 0 310.419 3.396 20 5 DGBDRO COc1cccc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000355333894 266041802 /nfs/dbraw/zinc/04/18/02/266041802.db2.gz RBBMHMGAQHRXHG-STQMWFEESA-N 1 0 307.394 3.136 20 5 DGBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000355363006 266051732 /nfs/dbraw/zinc/05/17/32/266051732.db2.gz BJZSBZCVACRZBW-MRXNPFEDSA-N 1 0 310.369 3.107 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000355366219 266051994 /nfs/dbraw/zinc/05/19/94/266051994.db2.gz NAVGKMREPMQGDJ-HNNXBMFYSA-N 1 0 311.813 3.020 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccccn1)C1CC1 ZINC000151385683 432243182 /nfs/dbraw/zinc/24/31/82/432243182.db2.gz OJJIQMKOOHWZNH-QGZVFWFLSA-N 1 0 311.385 3.143 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCCn1ccnc1 ZINC000182970493 432247725 /nfs/dbraw/zinc/24/77/25/432247725.db2.gz AFKYWZZEMMEIAI-AWEZNQCLSA-N 1 0 302.378 3.183 20 5 DGBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000359878019 271007644 /nfs/dbraw/zinc/00/76/44/271007644.db2.gz MYZSGTWDQOFMNR-CYBMUJFWSA-N 1 0 307.369 3.107 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000370587564 271372176 /nfs/dbraw/zinc/37/21/76/271372176.db2.gz FIBSAKLQFMZVEI-MRXNPFEDSA-N 1 0 320.389 3.042 20 5 DGBDRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000183039135 432251435 /nfs/dbraw/zinc/25/14/35/432251435.db2.gz QZGILXVGZGNABF-YPMHNXCESA-N 1 0 307.394 3.256 20 5 DGBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000183039093 432252380 /nfs/dbraw/zinc/25/23/80/432252380.db2.gz QZGILXVGZGNABF-DGCLKSJQSA-N 1 0 307.394 3.256 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)C1CC1 ZINC000247935487 432254097 /nfs/dbraw/zinc/25/40/97/432254097.db2.gz CKLSONIVCPCFNU-XKQJLSEDSA-N 1 0 318.417 3.057 20 5 DGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447583028 274063245 /nfs/dbraw/zinc/06/32/45/274063245.db2.gz AOYUZRDZDJAHSB-XOKHGSTOSA-N 1 0 304.390 3.377 20 5 DGBDRO CSCC[C@@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433287402 274176116 /nfs/dbraw/zinc/17/61/16/274176116.db2.gz LIWUDGJRFUVOKK-NHYWBVRUSA-N 1 0 324.446 3.021 20 5 DGBDRO CSCC[C@@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433287406 274176307 /nfs/dbraw/zinc/17/63/07/274176307.db2.gz LIWUDGJRFUVOKK-XHDPSFHLSA-N 1 0 324.446 3.021 20 5 DGBDRO C[C@@H](CN1CCCCC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447529746 274217636 /nfs/dbraw/zinc/21/76/36/274217636.db2.gz MLPCUTBJPWVJEG-KSSFIOAISA-N 1 0 317.433 3.436 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccncc1F ZINC000449309289 274231167 /nfs/dbraw/zinc/23/11/67/274231167.db2.gz CVPPLANMEUICOS-RYUDHWBXSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCOC1 ZINC000294594844 274251684 /nfs/dbraw/zinc/25/16/84/274251684.db2.gz NHBWAJTWPBFMOT-ZJUUUORDSA-N 1 0 318.295 3.128 20 5 DGBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065229 274335242 /nfs/dbraw/zinc/33/52/42/274335242.db2.gz JMIQSDMJZUBISM-IAQYHMDHSA-N 1 0 311.813 3.020 20 5 DGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCOC1 ZINC000294594840 274516277 /nfs/dbraw/zinc/51/62/77/274516277.db2.gz NHBWAJTWPBFMOT-UWVGGRQHSA-N 1 0 318.295 3.128 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000192660125 274665890 /nfs/dbraw/zinc/66/58/90/274665890.db2.gz HOWBCJZWTXDVBA-DIFFPNOSSA-N 1 0 314.389 3.365 20 5 DGBDRO Cc1cc(N2CC[C@@](C)(C[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420236462 274710687 /nfs/dbraw/zinc/71/06/87/274710687.db2.gz FASFTBGTNPMCCI-ZDUSSCGKSA-N 1 0 317.311 3.097 20 5 DGBDRO Cc1cc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338644610 274718649 /nfs/dbraw/zinc/71/86/49/274718649.db2.gz HPYWQBUNGCDJRS-SECBINFHSA-N 1 0 305.300 3.284 20 5 DGBDRO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000262353422 274951564 /nfs/dbraw/zinc/95/15/64/274951564.db2.gz VKEUZXCXUFHLGZ-OCCSQVGLSA-N 1 0 300.362 3.072 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCOCC(F)F)C2)cc1 ZINC000451544349 275037371 /nfs/dbraw/zinc/03/73/71/275037371.db2.gz DXXVUDNQAHEHFD-CYBMUJFWSA-N 1 0 314.332 3.056 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([N@@H+]1CCC[C@@]3(CCOC3)C1)CCC2 ZINC000453357970 275038137 /nfs/dbraw/zinc/03/81/37/275038137.db2.gz JNBXEWVHYLWSSG-QZTJIDSGSA-N 1 0 316.401 3.475 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3cn[nH]c31)CCC2 ZINC000278639240 275038156 /nfs/dbraw/zinc/03/81/56/275038156.db2.gz HJWGVRKQMMOZIQ-HOTGVXAUSA-N 1 0 312.373 3.363 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2c1 ZINC000413067684 275038862 /nfs/dbraw/zinc/03/88/62/275038862.db2.gz WWSMSLOFSCXFMB-HOTGVXAUSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000493332962 275039473 /nfs/dbraw/zinc/03/94/73/275039473.db2.gz DONHXGNXGNEXCE-FZMZJTMJSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CC=CCC2)n1 ZINC000332060106 275040534 /nfs/dbraw/zinc/04/05/34/275040534.db2.gz PLZLOHPFDILVCV-RRFJBIMHSA-N 1 0 304.394 3.221 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@@]2(C)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433120739 275861019 /nfs/dbraw/zinc/86/10/19/275861019.db2.gz OWJNFAQYJMPGSV-NVXWUHKLSA-N 1 0 304.390 3.333 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c2cc([N+](=O)[O-])ccc21 ZINC000433063287 275869228 /nfs/dbraw/zinc/86/92/28/275869228.db2.gz XKHVQSAXPIIDIJ-NKKGCODLSA-N 1 0 316.401 3.474 20 5 DGBDRO CCC(=O)c1ccc(N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000281491162 275949387 /nfs/dbraw/zinc/94/93/87/275949387.db2.gz OANVIXBKWLRUAJ-AWEZNQCLSA-N 1 0 319.405 3.108 20 5 DGBDRO CCC[NH+](CCC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000267881562 275997315 /nfs/dbraw/zinc/99/73/15/275997315.db2.gz PWZASTFPCIVJJC-GFCCVEGCSA-N 1 0 323.393 3.052 20 5 DGBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331301664 276053516 /nfs/dbraw/zinc/05/35/16/276053516.db2.gz ROBYIOOWUWSDLL-OAHLLOKOSA-N 1 0 312.797 3.375 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000491975639 276250129 /nfs/dbraw/zinc/25/01/29/276250129.db2.gz DTNCNZQZELBEPJ-RYUDHWBXSA-N 1 0 311.813 3.163 20 5 DGBDRO CCO[C@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000302208653 276358813 /nfs/dbraw/zinc/35/88/13/276358813.db2.gz XUUURTNGDOQFFG-AWEZNQCLSA-N 1 0 315.373 3.457 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000301720425 277070146 /nfs/dbraw/zinc/07/01/46/277070146.db2.gz PVGRJBSMJFNPFU-DGCLKSJQSA-N 1 0 309.797 3.169 20 5 DGBDRO COCCC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193030267 277489278 /nfs/dbraw/zinc/48/92/78/277489278.db2.gz JNXLEDYADCCHQR-MRXNPFEDSA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@@H]1C[C@H](NC(=O)c2cc3ccccc3c3cccnc23)CC[NH2+]1 ZINC000262836551 278023949 /nfs/dbraw/zinc/02/39/49/278023949.db2.gz ILHIOSLVDFLUTK-UKRRQHHQSA-N 1 0 319.408 3.258 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COCc2ccccc21 ZINC000417374703 278220657 /nfs/dbraw/zinc/22/06/57/278220657.db2.gz ZIFYNQRPKSBHNO-DYVFJYSZSA-N 1 0 312.369 3.387 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1OCCc2sccc21 ZINC000291759628 278357781 /nfs/dbraw/zinc/35/77/81/278357781.db2.gz RFVXGRPYPMKZDH-BDJLRTHQSA-N 1 0 318.398 3.448 20 5 DGBDRO Cc1cc(N(C)[C@H]2CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000343270329 278705062 /nfs/dbraw/zinc/70/50/62/278705062.db2.gz NKJDVARRYWNJLB-ZDUSSCGKSA-N 1 0 301.346 3.067 20 5 DGBDRO CCCO[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000108392858 431137530 /nfs/dbraw/zinc/13/75/30/431137530.db2.gz YOMLKEQEMLHEBC-INIZCTEOSA-N 1 0 322.405 3.255 20 5 DGBDRO CCCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000108394730 431140739 /nfs/dbraw/zinc/14/07/39/431140739.db2.gz ZBOCPZFWIXPNGK-INIZCTEOSA-N 1 0 322.405 3.385 20 5 DGBDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000108397962 431139337 /nfs/dbraw/zinc/13/93/37/431139337.db2.gz SIEUNRCBMJBBLH-HNNXBMFYSA-N 1 0 322.405 3.385 20 5 DGBDRO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cc2)[NH+](C)C)c1 ZINC000068836634 431143189 /nfs/dbraw/zinc/14/31/89/431143189.db2.gz UBWJIMWPLZHILR-QGZVFWFLSA-N 1 0 315.373 3.318 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000068837992 431143217 /nfs/dbraw/zinc/14/32/17/431143217.db2.gz VYKAVPRQPFSGRU-LBPRGKRZSA-N 1 0 306.362 3.083 20 5 DGBDRO CC[N@H+](CCNc1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000112079367 431246337 /nfs/dbraw/zinc/24/63/37/431246337.db2.gz PNRGIFSGFIVLPI-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO CC(C)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000072685699 431347968 /nfs/dbraw/zinc/34/79/68/431347968.db2.gz DSLVICSQDCBRRB-UHFFFAOYSA-N 1 0 316.361 3.408 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000007783668 431362165 /nfs/dbraw/zinc/36/21/65/431362165.db2.gz TYSOGAVFVDBGNL-ZDUSSCGKSA-N 1 0 313.357 3.193 20 5 DGBDRO Cc1c(C(=O)NCCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000074336909 431415836 /nfs/dbraw/zinc/41/58/36/431415836.db2.gz UHZRIDUPECOEAJ-UHFFFAOYSA-N 1 0 321.421 3.142 20 5 DGBDRO CC(C)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000076611833 431559916 /nfs/dbraw/zinc/55/99/16/431559916.db2.gz BYTULGPPVIGVCW-UHFFFAOYSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCS1 ZINC000331683654 280158304 /nfs/dbraw/zinc/15/83/04/280158304.db2.gz WUJXNULUHPDLHI-VNHYZAJKSA-N 1 0 324.450 3.150 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000278952531 280190019 /nfs/dbraw/zinc/19/00/19/280190019.db2.gz LLYMVXMUWTYHBW-CZUORRHYSA-N 1 0 314.389 3.095 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269408795 280360322 /nfs/dbraw/zinc/36/03/22/280360322.db2.gz IOUYHBAJYXAWSP-WFASDCNBSA-N 1 0 319.380 3.187 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC000182116510 280363463 /nfs/dbraw/zinc/36/34/63/280363463.db2.gz OBOWEIJXIWQUHU-OAHLLOKOSA-N 1 0 323.824 3.308 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCC[C@H]2F)n1 ZINC000414316182 280377467 /nfs/dbraw/zinc/37/74/67/280377467.db2.gz UBPIDGALQUXIJG-AAVRWANBSA-N 1 0 310.373 3.145 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C(C)C)C1CCC1 ZINC000077357529 431587281 /nfs/dbraw/zinc/58/72/81/431587281.db2.gz BYLUCNXKELXCQV-UHFFFAOYSA-N 1 0 305.378 3.105 20 5 DGBDRO CC(C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCC1 ZINC000077358377 431588083 /nfs/dbraw/zinc/58/80/83/431588083.db2.gz QNAUEZYODREGOP-UHFFFAOYSA-N 1 0 316.361 3.408 20 5 DGBDRO CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000030142364 431733272 /nfs/dbraw/zinc/73/32/72/431733272.db2.gz RYRFJSFPQGTPRG-LBPRGKRZSA-N 1 0 306.362 3.083 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+]2CCC(C)CC2)n1 ZINC000121416063 431783645 /nfs/dbraw/zinc/78/36/45/431783645.db2.gz GTVQHSBSTCIEGZ-UHFFFAOYSA-N 1 0 306.410 3.222 20 5 DGBDRO CCC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000121447534 431787370 /nfs/dbraw/zinc/78/73/70/431787370.db2.gz RRGCPFAUXNANHJ-XJKSGUPXSA-N 1 0 321.421 3.330 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CSCCS1 ZINC000125183511 431916508 /nfs/dbraw/zinc/91/65/08/431916508.db2.gz LJXCCFAPBDQNEN-LLVKDONJSA-N 1 0 318.851 3.186 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC)[C@@H](C)O ZINC000453334139 280858581 /nfs/dbraw/zinc/85/85/81/280858581.db2.gz JHLUURNIWJDVTQ-JHJVBQTASA-N 1 0 312.435 3.215 20 5 DGBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123757935 431874139 /nfs/dbraw/zinc/87/41/39/431874139.db2.gz HQDNNKDBVVZPJO-SMDDNHRTSA-N 1 0 312.797 3.374 20 5 DGBDRO Cc1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301471233 280873541 /nfs/dbraw/zinc/87/35/41/280873541.db2.gz JNZXQNDNDSDXTC-HNNXBMFYSA-N 1 0 303.406 3.358 20 5 DGBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCSC1 ZINC000089935687 431886677 /nfs/dbraw/zinc/88/66/77/431886677.db2.gz SLEPKBJYJNSHLT-AWEZNQCLSA-N 1 0 319.386 3.187 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000090850993 431896912 /nfs/dbraw/zinc/89/69/12/431896912.db2.gz RVHPXWLXLFDIGX-ZDUSSCGKSA-N 1 0 314.389 3.215 20 5 DGBDRO C[C@H](O)CC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000127678645 431978432 /nfs/dbraw/zinc/97/84/32/431978432.db2.gz OXFIBGPOBCEPFQ-LBPRGKRZSA-N 1 0 304.346 3.058 20 5 DGBDRO COc1cc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)ccc1O ZINC000125960442 431939477 /nfs/dbraw/zinc/93/94/77/431939477.db2.gz GAJKXGUXHLLTPP-UHFFFAOYSA-N 1 0 316.357 3.249 20 5 DGBDRO CC(C)[N@H+](C)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000054128476 431967680 /nfs/dbraw/zinc/96/76/80/431967680.db2.gz MATNMHJCRBNGJW-UHFFFAOYSA-N 1 0 305.300 3.366 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCC[NH+]1CCCC1 ZINC000337276436 281019488 /nfs/dbraw/zinc/01/94/88/281019488.db2.gz QWPHUWDDTXSDHX-OAHLLOKOSA-N 1 0 305.422 3.382 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292846620 281022714 /nfs/dbraw/zinc/02/27/14/281022714.db2.gz BNPHMHWQIHRJRJ-MAUKXSAKSA-N 1 0 317.433 3.382 20 5 DGBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493060035 288294427 /nfs/dbraw/zinc/29/44/27/288294427.db2.gz VMAGYPQPYDQZNG-CHWSQXEVSA-N 1 0 323.824 3.307 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000173363394 432273384 /nfs/dbraw/zinc/27/33/84/432273384.db2.gz AXWJNLZZKHKKOM-CABCVRRESA-N 1 0 305.422 3.366 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000183346209 432285581 /nfs/dbraw/zinc/28/55/81/432285581.db2.gz TXKSXGMOZVQGGA-UAGQMJEPSA-N 1 0 318.417 3.465 20 5 DGBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183550964 432302530 /nfs/dbraw/zinc/30/25/30/432302530.db2.gz PBSBLRKDNFBHQH-LBPRGKRZSA-N 1 0 314.345 3.197 20 5 DGBDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)N1CCCC1 ZINC000151677970 432266033 /nfs/dbraw/zinc/26/60/33/432266033.db2.gz OCSVVHXOPSKDBI-ZBFHGGJFSA-N 1 0 305.422 3.428 20 5 DGBDRO CC[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)N1CCCC1 ZINC000151686653 432266370 /nfs/dbraw/zinc/26/63/70/432266370.db2.gz AYAXTBXKZNGBMY-CABCVRRESA-N 1 0 305.422 3.428 20 5 DGBDRO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829331 432321930 /nfs/dbraw/zinc/32/19/30/432321930.db2.gz GZXPFINDAJCZQM-BVGQSLNGSA-N 1 0 317.433 3.291 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)C3)o2)c(Cl)c1 ZINC000271049367 432322519 /nfs/dbraw/zinc/32/25/19/432322519.db2.gz UPJYRRXZVJWIOW-LLVKDONJSA-N 1 0 322.748 3.075 20 5 DGBDRO Cc1ccsc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331526577 281505967 /nfs/dbraw/zinc/50/59/67/281505967.db2.gz DJVABQCZTZDGQO-OLZOCXBDSA-N 1 0 320.418 3.435 20 5 DGBDRO COc1ccc(C[N@H+](C)C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000183921413 432334839 /nfs/dbraw/zinc/33/48/39/432334839.db2.gz OVPYLWYDJVVZRT-LLVKDONJSA-N 1 0 321.402 3.295 20 5 DGBDRO Cc1cnc(C(C)(C)[NH2+]CCOc2ccccc2[N+](=O)[O-])s1 ZINC000183956133 432338768 /nfs/dbraw/zinc/33/87/68/432338768.db2.gz GNJMVGUNYCNAJW-UHFFFAOYSA-N 1 0 321.402 3.263 20 5 DGBDRO COC[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000271214540 432354372 /nfs/dbraw/zinc/35/43/72/432354372.db2.gz ZMRZPMMCCOBUBQ-ZDUSSCGKSA-N 1 0 316.357 3.323 20 5 DGBDRO CC[C@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H]1O ZINC000270932696 432305481 /nfs/dbraw/zinc/30/54/81/432305481.db2.gz QJTLJEOQOUCSGF-SUMWQHHRSA-N 1 0 323.392 3.149 20 5 DGBDRO CCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191826839 432307171 /nfs/dbraw/zinc/30/71/71/432307171.db2.gz CWMDYIHUVAEAAX-LBPRGKRZSA-N 1 0 307.394 3.338 20 5 DGBDRO CC1(C)CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191849838 432308689 /nfs/dbraw/zinc/30/86/89/432308689.db2.gz UGQXKULOKBFZDT-AWEZNQCLSA-N 1 0 305.378 3.092 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000251984362 432374067 /nfs/dbraw/zinc/37/40/67/432374067.db2.gz VNYFMGJUZJGHDJ-VYHVBIQSSA-N 1 0 320.389 3.212 20 5 DGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc2ccccc2s1 ZINC000184363869 432383603 /nfs/dbraw/zinc/38/36/03/432383603.db2.gz LKEFYDVFEYJGFS-NSHDSACASA-N 1 0 316.386 3.357 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192623297 432393257 /nfs/dbraw/zinc/39/32/57/432393257.db2.gz LVIVOVSUQTXHAI-TZMCWYRMSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000192623578 432393799 /nfs/dbraw/zinc/39/37/99/432393799.db2.gz GGUVLHFIKGZQGA-BBRMVZONSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000271468672 432402332 /nfs/dbraw/zinc/40/23/32/432402332.db2.gz LJBWZLFPAGWEKR-MLGOLLRUSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000153828465 432446037 /nfs/dbraw/zinc/44/60/37/432446037.db2.gz VYSKXGQYNSHKIH-CXAGYDPISA-N 1 0 300.358 3.287 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCO[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000193092149 432449136 /nfs/dbraw/zinc/44/91/36/432449136.db2.gz OCFFBRKTSUPHLY-CZUORRHYSA-N 1 0 308.378 3.097 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCO[C@@H]21 ZINC000153907133 432455689 /nfs/dbraw/zinc/45/56/89/432455689.db2.gz DAHAAHBBLVBQFT-YUTCNCBUSA-N 1 0 310.781 3.151 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000184591898 432409346 /nfs/dbraw/zinc/40/93/46/432409346.db2.gz QYNFHTMFCFCCQC-FZMZJTMJSA-N 1 0 316.361 3.313 20 5 DGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000271525470 432414466 /nfs/dbraw/zinc/41/44/66/432414466.db2.gz RCHAAZAQDUSULM-ZETOZRRWSA-N 1 0 311.813 3.067 20 5 DGBDRO C[NH+](C)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000153510133 432415315 /nfs/dbraw/zinc/41/53/15/432415315.db2.gz ZBGURUJXEAZJHR-CQSZACIVSA-N 1 0 320.780 3.358 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000192853631 432422627 /nfs/dbraw/zinc/42/26/27/432422627.db2.gz CTLURCKLTQMAID-BZNIZROVSA-N 1 0 302.378 3.439 20 5 DGBDRO CC(C)(C)OC(=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192895230 432426760 /nfs/dbraw/zinc/42/67/60/432426760.db2.gz ABFBXCDPIBOCAW-HNNXBMFYSA-N 1 0 320.389 3.294 20 5 DGBDRO Cc1cc(-c2nc(C3([NH3+])CCCCC3)no2)cc([N+](=O)[O-])c1 ZINC000262068073 432471076 /nfs/dbraw/zinc/47/10/76/432471076.db2.gz FRYVWUBYSACYSC-UHFFFAOYSA-N 1 0 302.334 3.071 20 5 DGBDRO C[NH2+][C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000262043300 432471143 /nfs/dbraw/zinc/47/11/43/432471143.db2.gz PKWNGSBJSJCKKM-AWEZNQCLSA-N 1 0 315.373 3.039 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000154199721 432482025 /nfs/dbraw/zinc/48/20/25/432482025.db2.gz MLCCWQRVFFUTBH-WBMJQRKESA-N 1 0 308.378 3.213 20 5 DGBDRO C[N@H+](CCc1ccncc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272327550 432482237 /nfs/dbraw/zinc/48/22/37/432482237.db2.gz CUBWPLUQSUOOKT-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCCCC3)no2)c1 ZINC000262339988 432483033 /nfs/dbraw/zinc/48/30/33/432483033.db2.gz UEECRKBDLKPYLM-UHFFFAOYSA-N 1 0 302.334 3.071 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262442075 432485608 /nfs/dbraw/zinc/48/56/08/432485608.db2.gz GVNKUWSXUOSECP-AWEZNQCLSA-N 1 0 301.321 3.033 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nccn2C[C@H](O)Cc2ccccc2)cc1 ZINC000193692562 432491730 /nfs/dbraw/zinc/49/17/30/432491730.db2.gz SMPCZCOAWHIPFK-QGZVFWFLSA-N 1 0 323.352 3.062 20 5 DGBDRO COc1cccc2c1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000193720941 432493226 /nfs/dbraw/zinc/49/32/26/432493226.db2.gz OGWMJWAUKZRNTR-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1csc2ccccc12 ZINC000176209659 432501906 /nfs/dbraw/zinc/50/19/06/432501906.db2.gz CDLIQTCOBZLJED-UHFFFAOYSA-N 1 0 316.386 3.138 20 5 DGBDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1C ZINC000176261834 432505192 /nfs/dbraw/zinc/50/51/92/432505192.db2.gz DDQWLFADYPIAFL-INIZCTEOSA-N 1 0 314.389 3.245 20 5 DGBDRO Cc1cccc(-c2nc(C3([NH3+])CCCCC3)no2)c1[N+](=O)[O-] ZINC000261945072 432464525 /nfs/dbraw/zinc/46/45/25/432464525.db2.gz MFDJBAXOXFJZMC-UHFFFAOYSA-N 1 0 302.334 3.071 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH2+]Cc2ccccc21 ZINC000261968443 432466073 /nfs/dbraw/zinc/46/60/73/432466073.db2.gz PTZBEZDLGGASDW-UHFFFAOYSA-N 1 0 317.776 3.358 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(Cl)c1 ZINC000273140830 432557228 /nfs/dbraw/zinc/55/72/28/432557228.db2.gz DXJHYTKOGRFKFX-CFVMTHIKSA-N 1 0 322.792 3.295 20 5 DGBDRO C[C@@]1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273067947 432546042 /nfs/dbraw/zinc/54/60/42/432546042.db2.gz NUQIZQXYKCXXGX-LSDHHAIUSA-N 1 0 310.781 3.295 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000186395149 432591075 /nfs/dbraw/zinc/59/10/75/432591075.db2.gz UUFAZYDFOMDFFE-WMLDXEAASA-N 1 0 322.405 3.157 20 5 DGBDRO CO[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000274373622 432658994 /nfs/dbraw/zinc/65/89/94/432658994.db2.gz QTLJLTJOFBKRRO-IIAWOOMASA-N 1 0 306.406 3.321 20 5 DGBDRO CCCC[N@H+](C)CC1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265153778 432670032 /nfs/dbraw/zinc/67/00/32/432670032.db2.gz CBKYFQQUHAXCBI-UHFFFAOYSA-N 1 0 320.437 3.247 20 5 DGBDRO CCC[C@H]([NH2+]CCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000159751245 432695841 /nfs/dbraw/zinc/69/58/41/432695841.db2.gz OPFWGFZVIRFVRL-INIZCTEOSA-N 1 0 302.378 3.002 20 5 DGBDRO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178256993 432711800 /nfs/dbraw/zinc/71/18/00/432711800.db2.gz JXYXXRZEGPBRRG-CYBMUJFWSA-N 1 0 303.406 3.120 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCSC2(CCOCC2)C1 ZINC000274482188 432674240 /nfs/dbraw/zinc/67/42/40/432674240.db2.gz FOFMWTYSLLFTTI-CYBMUJFWSA-N 1 0 322.430 3.254 20 5 DGBDRO CCOC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000188869522 432751217 /nfs/dbraw/zinc/75/12/17/432751217.db2.gz ZXAOPLNBVPJOTP-AWEZNQCLSA-N 1 0 300.786 3.399 20 5 DGBDRO C[C@H]([NH2+]CCCOCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178658108 432763066 /nfs/dbraw/zinc/76/30/66/432763066.db2.gz RJPDVWYGQMHLEG-AWEZNQCLSA-N 1 0 322.405 3.079 20 5 DGBDRO CCC[N@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000161218418 432766358 /nfs/dbraw/zinc/76/63/58/432766358.db2.gz KCOLBZUZZUHKEV-UHFFFAOYSA-N 1 0 304.346 3.059 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161399800 432775660 /nfs/dbraw/zinc/77/56/60/432775660.db2.gz YHLXNOOSDSSBPN-XJKSGUPXSA-N 1 0 300.358 3.022 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000276193896 432780358 /nfs/dbraw/zinc/78/03/58/432780358.db2.gz HNXPZEFFILUITC-LBPRGKRZSA-N 1 0 309.797 3.170 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000267255962 432826433 /nfs/dbraw/zinc/82/64/33/432826433.db2.gz JHJJCUZZUBOWBR-UONOGXRCSA-N 1 0 307.394 3.026 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000277165302 432830126 /nfs/dbraw/zinc/83/01/26/432830126.db2.gz MCNDKMCPDQMHPX-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cscn2)cc1[N+](=O)[O-] ZINC000154284543 292675751 /nfs/dbraw/zinc/67/57/51/292675751.db2.gz BQQINRUTRJXCEH-LLVKDONJSA-N 1 0 321.402 3.343 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000245465377 432834494 /nfs/dbraw/zinc/83/44/94/432834494.db2.gz YKKDOZOJUIXEIA-MLGOLLRUSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000162797916 432834704 /nfs/dbraw/zinc/83/47/04/432834704.db2.gz MGYQKRWZBVSFDW-GMOJCLEJSA-N 1 0 324.446 3.325 20 5 DGBDRO COCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130041090 292677952 /nfs/dbraw/zinc/67/79/52/292677952.db2.gz NIUHCCQEFBCXTB-LZWOXQAQSA-N 1 0 306.406 3.321 20 5 DGBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189518646 432794594 /nfs/dbraw/zinc/79/45/94/432794594.db2.gz QDQOJYIOHKEUIZ-OWCLPIDISA-N 1 0 324.446 3.282 20 5 DGBDRO COCCN(Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276307195 432794977 /nfs/dbraw/zinc/79/49/77/432794977.db2.gz LFPGDSWJZDCVNE-UHFFFAOYSA-N 1 0 322.336 3.284 20 5 DGBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000179006255 432795277 /nfs/dbraw/zinc/79/52/77/432795277.db2.gz LHVIIBYHDWCYKK-CQSZACIVSA-N 1 0 319.408 3.070 20 5 DGBDRO C[C@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000266912139 432798262 /nfs/dbraw/zinc/79/82/62/432798262.db2.gz LTJCBFDCGCBGDQ-CYBMUJFWSA-N 1 0 300.362 3.017 20 5 DGBDRO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245519779 432838714 /nfs/dbraw/zinc/83/87/14/432838714.db2.gz IZPIDMKXJSOUHR-KGLIPLIRSA-N 1 0 320.389 3.239 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccccc2-n2cccn2)cs1 ZINC000237975976 432806850 /nfs/dbraw/zinc/80/68/50/432806850.db2.gz UGGNNOLIPIYQAA-UHFFFAOYSA-N 1 0 314.370 3.132 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000245924232 432870397 /nfs/dbraw/zinc/87/03/97/432870397.db2.gz OIOBQHAEDUTMBB-OCCSQVGLSA-N 1 0 319.405 3.210 20 5 DGBDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000296323764 432895831 /nfs/dbraw/zinc/89/58/31/432895831.db2.gz GXTCXUKKDUMQRC-CJNGLKHVSA-N 1 0 321.421 3.057 20 5 DGBDRO CCN1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278295821 432890646 /nfs/dbraw/zinc/89/06/46/432890646.db2.gz RIYIBVTZLXOZPW-KRWDZBQOSA-N 1 0 303.406 3.046 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000330657433 432922983 /nfs/dbraw/zinc/92/29/83/432922983.db2.gz OIHQQEUHFMMHGH-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000296846210 432930776 /nfs/dbraw/zinc/93/07/76/432930776.db2.gz OLFMVOUPPLOZGT-UFBFGSQYSA-N 1 0 320.336 3.455 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn(C(C)(C)C)c1 ZINC000289309254 432944090 /nfs/dbraw/zinc/94/40/90/432944090.db2.gz DNRKCSHNFHJMCV-UHFFFAOYSA-N 1 0 316.405 3.221 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331518162 432947031 /nfs/dbraw/zinc/94/70/31/432947031.db2.gz FRTOJCHOCYJHBQ-CZUORRHYSA-N 1 0 317.389 3.188 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331559027 432948429 /nfs/dbraw/zinc/94/84/29/432948429.db2.gz USTFBANYAIPHNP-AWEZNQCLSA-N 1 0 302.378 3.482 20 5 DGBDRO CCC[C@H]([NH2+][C@H](COC)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000278914134 432916430 /nfs/dbraw/zinc/91/64/30/432916430.db2.gz VZTIGUIZXCBZEI-GVDBMIGSSA-N 1 0 322.405 3.220 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000330552573 432916867 /nfs/dbraw/zinc/91/68/67/432916867.db2.gz YCBMHEDUBULEPI-KWCYVHTRSA-N 1 0 319.405 3.256 20 5 DGBDRO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296521083 432918871 /nfs/dbraw/zinc/91/88/71/432918871.db2.gz CEWFTQDLIHFGTD-MCIONIFRSA-N 1 0 319.405 3.035 20 5 DGBDRO CCC(CC)[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000289517976 432966897 /nfs/dbraw/zinc/96/68/97/432966897.db2.gz VLERPJUMKRFFFQ-UHFFFAOYSA-N 1 0 323.393 3.052 20 5 DGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332045658 432968749 /nfs/dbraw/zinc/96/87/49/432968749.db2.gz LPUXUZKZPXJZOJ-LLVKDONJSA-N 1 0 306.362 3.082 20 5 DGBDRO COCC[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000332372728 433002323 /nfs/dbraw/zinc/00/23/23/433002323.db2.gz XGBGNTWTBKHUNK-CYBMUJFWSA-N 1 0 310.369 3.373 20 5 DGBDRO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC(C)(C)C1 ZINC000332253561 432991871 /nfs/dbraw/zinc/99/18/71/432991871.db2.gz YHDAQSFUWLUVCX-GFCCVEGCSA-N 1 0 320.389 3.329 20 5 DGBDRO C[NH+](C)C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000290195487 433010616 /nfs/dbraw/zinc/01/06/16/433010616.db2.gz UAXBFZXHYFLUEC-KRWDZBQOSA-N 1 0 317.364 3.126 20 5 DGBDRO C[C@@H](c1ccccn1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361263967 433066487 /nfs/dbraw/zinc/06/64/87/433066487.db2.gz YPGWIDIWDRXYFR-NSHDSACASA-N 1 0 311.345 3.059 20 5 DGBDRO CCC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000453291261 433068985 /nfs/dbraw/zinc/06/89/85/433068985.db2.gz MOQUODDTHNTWOM-BHYGNILZSA-N 1 0 322.405 3.077 20 5 DGBDRO CCC[C@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000298419161 433130667 /nfs/dbraw/zinc/13/06/67/433130667.db2.gz KXFGHFGREGQYIC-NSHDSACASA-N 1 0 304.350 3.265 20 5 DGBDRO Cc1cc(N[C@H](C)CCC[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420255993 433136436 /nfs/dbraw/zinc/13/64/36/433136436.db2.gz GNJILJMNEKGEJQ-SECBINFHSA-N 1 0 305.300 3.461 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000298430555 433136461 /nfs/dbraw/zinc/13/64/61/433136461.db2.gz NQIVVVQCTUDWQI-LLVKDONJSA-N 1 0 304.350 3.265 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)C2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000453383775 433138758 /nfs/dbraw/zinc/13/87/58/433138758.db2.gz MMRYQPRGAUYPHV-HZPDHXFCSA-N 1 0 304.390 3.068 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)C2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000453383774 433140416 /nfs/dbraw/zinc/14/04/16/433140416.db2.gz MMRYQPRGAUYPHV-HOTGVXAUSA-N 1 0 304.390 3.068 20 5 DGBDRO Cc1cc(NC[C@H]2CCC[NH2+]C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420178405 433118559 /nfs/dbraw/zinc/11/85/59/433118559.db2.gz UHAWMWUBPWFIKM-JTQLQIEISA-N 1 0 317.311 3.334 20 5 DGBDRO C[C@@H]1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1 ZINC000446854330 433118725 /nfs/dbraw/zinc/11/87/25/433118725.db2.gz WZCVLRUJWAKJEF-QWRGUYRKSA-N 1 0 302.378 3.385 20 5 DGBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000446848061 433118825 /nfs/dbraw/zinc/11/88/25/433118825.db2.gz PWYQQYCFIVVZJP-INIZCTEOSA-N 1 0 318.373 3.351 20 5 DGBDRO CCCCOCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447518711 433208460 /nfs/dbraw/zinc/20/84/60/433208460.db2.gz WPJWUJURCQQYBO-GJZGRUSLSA-N 1 0 324.425 3.071 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447508555 433208712 /nfs/dbraw/zinc/20/87/12/433208712.db2.gz KTOCWKDONRVYAC-CVEARBPZSA-N 1 0 314.389 3.373 20 5 DGBDRO CCC(C)(C)OCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453404105 433156380 /nfs/dbraw/zinc/15/63/80/433156380.db2.gz HQVPXLMMYQDMFW-ZIAGYGMSSA-N 1 0 324.425 3.070 20 5 DGBDRO Cc1cnn([C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000290795312 433169792 /nfs/dbraw/zinc/16/97/92/433169792.db2.gz DWUXUOXUFGJKNP-NBUZRDOWSA-N 1 0 312.373 3.060 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447508561 433210293 /nfs/dbraw/zinc/21/02/93/433210293.db2.gz KTOCWKDONRVYAC-JKSUJKDBSA-N 1 0 314.389 3.373 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC1CCC1 ZINC000361481387 433196858 /nfs/dbraw/zinc/19/68/58/433196858.db2.gz MHQNTCLXDZNMDH-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000280876398 433205064 /nfs/dbraw/zinc/20/50/64/433205064.db2.gz DRQHADLYRPUURR-LLVKDONJSA-N 1 0 300.305 3.128 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccsc2)n1 ZINC000447529828 433213609 /nfs/dbraw/zinc/21/36/09/433213609.db2.gz MUMGYRVJRBPSQL-STQMWFEESA-N 1 0 306.391 3.126 20 5 DGBDRO CC[NH+](CC)C[C@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447534888 433219459 /nfs/dbraw/zinc/21/94/59/433219459.db2.gz AQWJZQDFSMKWOF-GUYCJALGSA-N 1 0 305.422 3.292 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOCC(F)(F)F)CCC2 ZINC000447541666 433222732 /nfs/dbraw/zinc/22/27/32/433222732.db2.gz NDTOCFPKCBANHY-CYBMUJFWSA-N 1 0 318.295 3.141 20 5 DGBDRO CC[NH+]1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000298746864 433237932 /nfs/dbraw/zinc/23/79/32/433237932.db2.gz UUCPBVQOEFPTTJ-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(CO)CCCC1 ZINC000453612412 433238740 /nfs/dbraw/zinc/23/87/40/433238740.db2.gz JOXBKRYAYHSSMX-INIZCTEOSA-N 1 0 306.406 3.262 20 5 DGBDRO CC[C@H](c1ccccc1)[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000350703781 433258698 /nfs/dbraw/zinc/25/86/98/433258698.db2.gz VCIIGMCIHUTNAG-MRXNPFEDSA-N 1 0 302.378 3.265 20 5 DGBDRO CC(C)(C)[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000447830808 433295009 /nfs/dbraw/zinc/29/50/09/433295009.db2.gz LNEXJRZJEIZEEQ-INIZCTEOSA-N 1 0 322.405 3.111 20 5 DGBDRO C[N@H+](CCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000281672168 433344264 /nfs/dbraw/zinc/34/42/64/433344264.db2.gz DLWDZVLAXOSNSH-UHFFFAOYSA-N 1 0 324.764 3.322 20 5 DGBDRO Cc1cc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301065316 433395560 /nfs/dbraw/zinc/39/55/60/433395560.db2.gz BSBKBEOLOQEVJR-MRXNPFEDSA-N 1 0 321.421 3.062 20 5 DGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301092559 433408367 /nfs/dbraw/zinc/40/83/67/433408367.db2.gz UCFFBWPPVONDJK-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO CC1CC[NH+](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301086988 433411138 /nfs/dbraw/zinc/41/11/38/433411138.db2.gz HVZDABNKCRUDLS-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO CC(C)[C@@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000301111454 433416420 /nfs/dbraw/zinc/41/64/20/433416420.db2.gz YUFNWENWQGYHHJ-OAHLLOKOSA-N 1 0 306.410 3.158 20 5 DGBDRO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000342016885 433418441 /nfs/dbraw/zinc/41/84/41/433418441.db2.gz CVYZVRBOFODIHG-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])nn1C ZINC000281946002 433435722 /nfs/dbraw/zinc/43/57/22/433435722.db2.gz BTLPOJHBATUZLY-LLVKDONJSA-N 1 0 322.796 3.183 20 5 DGBDRO COc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000414183318 433446938 /nfs/dbraw/zinc/44/69/38/433446938.db2.gz NGKMBAKVSRQRLV-WFASDCNBSA-N 1 0 312.369 3.421 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000301210355 433454127 /nfs/dbraw/zinc/45/41/27/433454127.db2.gz WGELBOHGYVAXEB-CHWSQXEVSA-N 1 0 306.410 3.078 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000301215429 433455025 /nfs/dbraw/zinc/45/50/25/433455025.db2.gz ZUUSJRTYSUNOKW-ZDUSSCGKSA-N 1 0 306.410 3.222 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000339252783 433466754 /nfs/dbraw/zinc/46/67/54/433466754.db2.gz HKFOYUNOGHXTFE-ZDUSSCGKSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451421933 290266806 /nfs/dbraw/zinc/26/68/06/290266806.db2.gz QRPMZYDADNHSES-DUFGSWQCSA-N 1 0 304.390 3.281 20 5 DGBDRO C[C@H](NC(=O)CC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000339264059 433475717 /nfs/dbraw/zinc/47/57/17/433475717.db2.gz JSYUMKPOGLLVGZ-KBPBESRZSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1ccnc(NCCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000301279598 433483832 /nfs/dbraw/zinc/48/38/32/433483832.db2.gz JPMSLNAMOIHZNZ-CQSZACIVSA-N 1 0 306.410 3.365 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cccc1[N+](=O)[O-] ZINC000414304872 433529818 /nfs/dbraw/zinc/52/98/18/433529818.db2.gz RKEYQIRYEXUXBC-SUHUHFCYSA-N 1 0 314.332 3.103 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000414319705 433537259 /nfs/dbraw/zinc/53/72/59/433537259.db2.gz ZRZHOFKIKVKVDF-SWLSCSKDSA-N 1 0 318.348 3.161 20 5 DGBDRO Cc1ccnc(NCCCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301300299 433496943 /nfs/dbraw/zinc/49/69/43/433496943.db2.gz QQSHFZJUGNZEQY-ZDUSSCGKSA-N 1 0 306.410 3.222 20 5 DGBDRO Cc1ccnc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301306554 433496965 /nfs/dbraw/zinc/49/69/65/433496965.db2.gz VCSJIJGLTLHIPB-LBPRGKRZSA-N 1 0 306.410 3.221 20 5 DGBDRO CC[C@@H](C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000421368876 433509039 /nfs/dbraw/zinc/50/90/39/433509039.db2.gz BYYHDMZYQUFWIY-IUODEOHRSA-N 1 0 302.378 3.053 20 5 DGBDRO CSc1ccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc1[N+](=O)[O-] ZINC000339398534 433557033 /nfs/dbraw/zinc/55/70/33/433557033.db2.gz VUFKXLOMRMSXKY-JTQLQIEISA-N 1 0 322.390 3.413 20 5 DGBDRO Cc1cc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301459855 433564978 /nfs/dbraw/zinc/56/49/78/433564978.db2.gz YDAIECYYFRUWFT-SCRDCRAPSA-N 1 0 306.410 3.077 20 5 DGBDRO CN(CC[N@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000351547295 433566049 /nfs/dbraw/zinc/56/60/49/433566049.db2.gz YBTNWIOXBGSRNX-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000339429189 433575858 /nfs/dbraw/zinc/57/58/58/433575858.db2.gz PZQKFAJLAZIRNW-INIZCTEOSA-N 1 0 323.824 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+](C2CCC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000292510882 433577365 /nfs/dbraw/zinc/57/73/65/433577365.db2.gz VLCSAMSAMSLGKT-UHFFFAOYSA-N 1 0 305.334 3.410 20 5 DGBDRO CCOc1cc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301508332 433587850 /nfs/dbraw/zinc/58/78/50/433587850.db2.gz HQRBZMVPTUVNGV-CQSZACIVSA-N 1 0 319.405 3.422 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421399041 433542171 /nfs/dbraw/zinc/54/21/71/433542171.db2.gz PHVHFCNORCGSEU-QZDDGCDVSA-N 1 0 304.390 3.093 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292308683 433547373 /nfs/dbraw/zinc/54/73/73/433547373.db2.gz DPBLPBHJBUEOHP-BDJLRTHQSA-N 1 0 318.398 3.448 20 5 DGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000163166878 292865143 /nfs/dbraw/zinc/86/51/43/292865143.db2.gz DCDHRDRXOLSRSV-XJKSGUPXSA-N 1 0 319.405 3.116 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292837378 433597211 /nfs/dbraw/zinc/59/72/11/433597211.db2.gz AYVOLCJXQKSVHM-PBHICJAKSA-N 1 0 303.406 3.074 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])ccn1 ZINC000342302247 433601087 /nfs/dbraw/zinc/60/10/87/433601087.db2.gz UBZVMUFHPBUNAG-VUDGCMKMSA-N 1 0 313.357 3.362 20 5 DGBDRO Cc1nc(C)c([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000315731807 292891741 /nfs/dbraw/zinc/89/17/41/292891741.db2.gz KFWIRXUAANYQHN-SNVBAGLBSA-N 1 0 321.402 3.398 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)cccc1[N+](=O)[O-] ZINC000282426080 433606910 /nfs/dbraw/zinc/60/69/10/433606910.db2.gz MBSWXTXMWGHOAJ-SWLSCSKDSA-N 1 0 314.389 3.365 20 5 DGBDRO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)C ZINC000351602055 433607291 /nfs/dbraw/zinc/60/72/91/433607291.db2.gz KGBFBTLUOXLSHX-UHFFFAOYSA-N 1 0 308.378 3.329 20 5 DGBDRO CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000293024586 433608833 /nfs/dbraw/zinc/60/88/33/433608833.db2.gz KTRQYXUQUKXFIU-CQSZACIVSA-N 1 0 312.797 3.135 20 5 DGBDRO COc1cc(C[NH2+]CCC(C)(C)C2CC2)c([N+](=O)[O-])cc1O ZINC000339567955 433656219 /nfs/dbraw/zinc/65/62/19/433656219.db2.gz IIKCMJIWZZJYLO-UHFFFAOYSA-N 1 0 308.378 3.225 20 5 DGBDRO Cc1nc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301663604 433663024 /nfs/dbraw/zinc/66/30/24/433663024.db2.gz VNTNRZPGJRQDIB-XQQFMLRXSA-N 1 0 306.410 3.077 20 5 DGBDRO Cc1ccc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301710825 433689522 /nfs/dbraw/zinc/68/95/22/433689522.db2.gz HSHAZGSWJPZICG-GJZGRUSLSA-N 1 0 321.421 3.205 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000414485403 433652112 /nfs/dbraw/zinc/65/21/12/433652112.db2.gz LHERCCXUAIXWMI-LVJUENIKSA-N 1 0 324.380 3.416 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](C4CC4)C3)co2)cc1 ZINC000367046139 293016429 /nfs/dbraw/zinc/01/64/29/293016429.db2.gz SYQXBQBOMAEYAW-AWEZNQCLSA-N 1 0 313.357 3.482 20 5 DGBDRO Cc1cn2c(n1)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000368218009 293105445 /nfs/dbraw/zinc/10/54/45/293105445.db2.gz CJPBDLLQKHWWJH-HNNXBMFYSA-N 1 0 314.389 3.075 20 5 DGBDRO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000301731534 433700374 /nfs/dbraw/zinc/70/03/74/433700374.db2.gz DWWHQXRVIKJLAG-QWRGUYRKSA-N 1 0 312.801 3.176 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000283398235 433716425 /nfs/dbraw/zinc/71/64/25/433716425.db2.gz FJKCUHLRJKYKRL-UHFFFAOYSA-N 1 0 305.378 3.188 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000374496185 293408015 /nfs/dbraw/zinc/40/80/15/293408015.db2.gz LCCRPZPYMDMPJQ-KHIZAZIESA-N 1 0 320.389 3.212 20 5 DGBDRO O=C(CC[N@@H+]1CC[C@H](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000339680563 433722915 /nfs/dbraw/zinc/72/29/15/433722915.db2.gz WIHAFNDYAYSJDQ-CQSZACIVSA-N 1 0 317.389 3.045 20 5 DGBDRO [NH3+]C[C@@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414658999 433773557 /nfs/dbraw/zinc/77/35/57/433773557.db2.gz MCBSITPDPMYNQY-LBPRGKRZSA-N 1 0 317.414 3.246 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000421853256 433774957 /nfs/dbraw/zinc/77/49/57/433774957.db2.gz ITZOHAZMOOTIHM-ZDUSSCGKSA-N 1 0 322.405 3.339 20 5 DGBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1C ZINC000293574297 433785591 /nfs/dbraw/zinc/78/55/91/433785591.db2.gz DPORDLDOURVKDM-LBPRGKRZSA-N 1 0 315.373 3.345 20 5 DGBDRO CC[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000421868915 433787492 /nfs/dbraw/zinc/78/74/92/433787492.db2.gz CXLYDMWMOUBCRK-SJORKVTESA-N 1 0 300.358 3.045 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CCCO)C2)cc1[N+](=O)[O-] ZINC000449790586 433801777 /nfs/dbraw/zinc/80/17/77/433801777.db2.gz LMWQDLPIYCMKSL-AWEZNQCLSA-N 1 0 306.406 3.313 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CC3(CCOCC3)[C@@H]2C2CC2)cs1 ZINC000293639405 433811240 /nfs/dbraw/zinc/81/12/40/433811240.db2.gz MCBOSYCQWJKHQO-AWEZNQCLSA-N 1 0 308.403 3.047 20 5 DGBDRO CC[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000302142708 433813979 /nfs/dbraw/zinc/81/39/79/433813979.db2.gz FWWFOFXILUWPDE-OCCSQVGLSA-N 1 0 315.373 3.455 20 5 DGBDRO Cc1cc(N2CC[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302066020 433814468 /nfs/dbraw/zinc/81/44/68/433814468.db2.gz FDYRLYRTOLFBEW-QGZVFWFLSA-N 1 0 313.357 3.068 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000351972039 433828073 /nfs/dbraw/zinc/82/80/73/433828073.db2.gz ZMJMLEBRMQLLLQ-AWEZNQCLSA-N 1 0 305.422 3.238 20 5 DGBDRO COC(=O)CC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000351976524 433832288 /nfs/dbraw/zinc/83/22/88/433832288.db2.gz BUFGUQITYIFDGW-ZDUSSCGKSA-N 1 0 320.389 3.239 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccnc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000284115810 433835472 /nfs/dbraw/zinc/83/54/72/433835472.db2.gz SVTZFDYWENAHEC-UHFFFAOYSA-N 1 0 323.299 3.189 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293695755 433835895 /nfs/dbraw/zinc/83/58/95/433835895.db2.gz LDGKDJZEEIGEFW-ZUZCIYMTSA-N 1 0 313.357 3.221 20 5 DGBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(C[NH3+])CCC1 ZINC000414792778 433837860 /nfs/dbraw/zinc/83/78/60/433837860.db2.gz SHXKZTWIPLQPQP-UHFFFAOYSA-N 1 0 315.373 3.168 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433092746 433843833 /nfs/dbraw/zinc/84/38/33/433843833.db2.gz XSDXPEKEFGVTAW-GHJWDPDVSA-N 1 0 304.390 3.068 20 5 DGBDRO C[N@@H+]1CCC[C@]2(CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293729675 433845254 /nfs/dbraw/zinc/84/52/54/433845254.db2.gz USJZSQOAKXUMLW-UKTKYZJWSA-N 1 0 315.417 3.026 20 5 DGBDRO CCc1nc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000293746320 433851260 /nfs/dbraw/zinc/85/12/60/433851260.db2.gz NUWWRFUXUWHGBT-SNVBAGLBSA-N 1 0 320.418 3.089 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNCC[C@H]2CCC[NH2+]2)o1 ZINC000414902947 433907626 /nfs/dbraw/zinc/90/76/26/433907626.db2.gz IYGACJIOBIAPFB-CYBMUJFWSA-N 1 0 315.373 3.087 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000422552688 433918207 /nfs/dbraw/zinc/91/82/07/433918207.db2.gz RBRWPCGQAJWVHL-LBPRGKRZSA-N 1 0 304.350 3.308 20 5 DGBDRO CC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]CC1 ZINC000414946890 433928838 /nfs/dbraw/zinc/92/88/38/433928838.db2.gz UVDBCWUZBRRDKF-UHFFFAOYSA-N 1 0 315.373 3.087 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000362959789 433931188 /nfs/dbraw/zinc/93/11/88/433931188.db2.gz FBYHBLORMQGLGB-CQSZACIVSA-N 1 0 306.410 3.263 20 5 DGBDRO COc1ccccc1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284315313 433884055 /nfs/dbraw/zinc/88/40/55/433884055.db2.gz ZMWQVMITDLTIOA-LBPRGKRZSA-N 1 0 315.373 3.079 20 5 DGBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1ncc(C2CC2)o1 ZINC000285461746 433956647 /nfs/dbraw/zinc/95/66/47/433956647.db2.gz ZIEFTFPHXYTSII-UHFFFAOYSA-N 1 0 301.346 3.135 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000340174907 433957216 /nfs/dbraw/zinc/95/72/16/433957216.db2.gz RXMDHGNHGLWXGZ-UHFFFAOYSA-N 1 0 311.341 3.375 20 5 DGBDRO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000285559313 433992588 /nfs/dbraw/zinc/99/25/88/433992588.db2.gz HEDCFXCJHOGNQF-UHFFFAOYSA-N 1 0 317.389 3.142 20 5 DGBDRO Cc1c(CN(CCC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000303986266 433977868 /nfs/dbraw/zinc/97/78/68/433977868.db2.gz JDCZOPVFWCCCAL-UHFFFAOYSA-N 1 0 313.401 3.254 20 5 DGBDRO O=[N+]([O-])c1ccc2c(ccnc2NCCC[NH+]2CCCCC2)c1 ZINC000450227104 434039659 /nfs/dbraw/zinc/03/96/59/434039659.db2.gz OQKDDIKQBTZOJD-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285554958 433995497 /nfs/dbraw/zinc/99/54/97/433995497.db2.gz RCCNNCLWTHZYDO-PBWFPOADSA-N 1 0 323.824 3.305 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450303074 434094393 /nfs/dbraw/zinc/09/43/93/434094393.db2.gz INDVWUPGHKDGMI-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO Cn1ccnc1[C@@H]([NH2+]CCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353388906 434100026 /nfs/dbraw/zinc/10/00/26/434100026.db2.gz SPLYUCIFCOQPQH-HNNXBMFYSA-N 1 0 316.405 3.444 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1-n1ccnn1 ZINC000353390922 434105755 /nfs/dbraw/zinc/10/57/55/434105755.db2.gz ATGFDAALQATFDW-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO CC(C)([NH2+]Cc1cnc(C2CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000459479860 293978074 /nfs/dbraw/zinc/97/80/74/293978074.db2.gz MVAQOMQQVFJIMX-UHFFFAOYSA-N 1 0 312.373 3.287 20 5 DGBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353399115 434108660 /nfs/dbraw/zinc/10/86/60/434108660.db2.gz BJGSKLVCRRRDHT-DZGCQCFKSA-N 1 0 314.389 3.053 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cnccc1N ZINC000422922607 434113987 /nfs/dbraw/zinc/11/39/87/434113987.db2.gz QFZYGJQDJBKFBN-ZDUSSCGKSA-N 1 0 314.389 3.076 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000504899210 294224388 /nfs/dbraw/zinc/22/43/88/294224388.db2.gz CHOJHTIYVAEIOK-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO CC(C)[N@@H+]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000505301537 294233586 /nfs/dbraw/zinc/23/35/86/294233586.db2.gz JPIXAVATMHMWGH-YVMONPNESA-N 1 0 303.406 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC4CCC3CC4)n2)cc1 ZINC000378382950 434162032 /nfs/dbraw/zinc/16/20/32/434162032.db2.gz IEGMXJHQRBAJSQ-UHFFFAOYSA-N 1 0 314.345 3.019 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000346172634 434170452 /nfs/dbraw/zinc/17/04/52/434170452.db2.gz GCULEHSXYRPXEC-NEPJUHHUSA-N 1 0 311.813 3.163 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000357775230 434173881 /nfs/dbraw/zinc/17/38/81/434173881.db2.gz ORKNUOFFDDWTOT-SNVBAGLBSA-N 1 0 300.790 3.176 20 5 DGBDRO Cc1ccc(C[N@@H+](C)[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000295106890 434202739 /nfs/dbraw/zinc/20/27/39/434202739.db2.gz UJTVXJZMFHCYNS-KRWDZBQOSA-N 1 0 300.358 3.069 20 5 DGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450533951 434249996 /nfs/dbraw/zinc/24/99/96/434249996.db2.gz ZAWINHHTQWOJKW-LBPRGKRZSA-N 1 0 302.378 3.284 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000286396961 434259361 /nfs/dbraw/zinc/25/93/61/434259361.db2.gz ZWGYOXNFFUOAJP-BXUZGUMPSA-N 1 0 323.368 3.231 20 5 DGBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000320838405 434239697 /nfs/dbraw/zinc/23/96/97/434239697.db2.gz OEPOGHOZRVMUNK-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000437544610 434285921 /nfs/dbraw/zinc/28/59/21/434285921.db2.gz IJRCZDGTAGJMCY-JKSUJKDBSA-N 1 0 322.430 3.334 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000516753707 294628850 /nfs/dbraw/zinc/62/88/50/294628850.db2.gz YLMDSNPYCFSUTL-OLZOCXBDSA-N 1 0 319.405 3.480 20 5 DGBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000390762762 434366856 /nfs/dbraw/zinc/36/68/56/434366856.db2.gz ZVCSMKKQOZNQAS-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000295456620 434370099 /nfs/dbraw/zinc/37/00/99/434370099.db2.gz XBCKHMAEKRPPGA-RFQIPJPRSA-N 1 0 319.405 3.033 20 5 DGBDRO C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000295456616 434370548 /nfs/dbraw/zinc/37/05/48/434370548.db2.gz XBCKHMAEKRPPGA-CRWXNKLISA-N 1 0 319.405 3.033 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000295473159 434377500 /nfs/dbraw/zinc/37/75/00/434377500.db2.gz ISUFCYFOMAZASC-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000287335494 434335328 /nfs/dbraw/zinc/33/53/28/434335328.db2.gz GCGPLRCTCNSBNI-YDHLFZDLSA-N 1 0 322.405 3.317 20 5 DGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348472695 434338021 /nfs/dbraw/zinc/33/80/21/434338021.db2.gz YHFBRAZDTCAPAI-JSGCOSHPSA-N 1 0 320.418 3.235 20 5 DGBDRO CCOc1cccc(NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000388990247 434343124 /nfs/dbraw/zinc/34/31/24/434343124.db2.gz PFQCLDKDMPQAPQ-CYBMUJFWSA-N 1 0 307.394 3.136 20 5 DGBDRO CCCC[C@H](CN)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423298115 434349672 /nfs/dbraw/zinc/34/96/72/434349672.db2.gz NEWAPAGMFHICLP-HZPDHXFCSA-N 1 0 305.422 3.023 20 5 DGBDRO C[C@@H]([NH2+]CC[S@](=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000358153304 434354463 /nfs/dbraw/zinc/35/44/63/434354463.db2.gz IEAKQHPMORCOTJ-DMZKTXOQSA-N 1 0 318.398 3.053 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1=CCCOC1)CCCC2 ZINC000417324591 434355476 /nfs/dbraw/zinc/35/54/76/434355476.db2.gz APIWWYXOJIOSLG-KRWDZBQOSA-N 1 0 302.374 3.299 20 5 DGBDRO C[C@H]1CSC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295424514 434355585 /nfs/dbraw/zinc/35/55/85/434355585.db2.gz OCQSCMWWACJLOS-JOYOIKCWSA-N 1 0 300.811 3.132 20 5 DGBDRO Cc1cc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)on1 ZINC000417336021 434358083 /nfs/dbraw/zinc/35/80/83/434358083.db2.gz UTNJHPFHFTXYBU-KRWDZBQOSA-N 1 0 315.373 3.491 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCNc2cc[nH+]c3ccccc23)cc1 ZINC000520339974 294821566 /nfs/dbraw/zinc/82/15/66/294821566.db2.gz OKZPTUBCBDVHMS-UHFFFAOYSA-N 1 0 309.325 3.056 20 5 DGBDRO CCc1ccc([C@H](NC[C@H]([NH3+])CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423461104 434432328 /nfs/dbraw/zinc/43/23/28/434432328.db2.gz JKRKRQXLHHJDHR-CXAGYDPISA-N 1 0 317.389 3.167 20 5 DGBDRO CC(=O)c1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000287866807 434468228 /nfs/dbraw/zinc/46/82/28/434468228.db2.gz SWVYFXJTCXRUQV-HNNXBMFYSA-N 1 0 317.389 3.226 20 5 DGBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000353848766 434478642 /nfs/dbraw/zinc/47/86/42/434478642.db2.gz WGUSLQOBCYCYLV-CQSZACIVSA-N 1 0 302.330 3.076 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cnn2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000353864756 434486969 /nfs/dbraw/zinc/48/69/69/434486969.db2.gz JIDRJIYPNDNSMS-MRXNPFEDSA-N 1 0 310.357 3.483 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000450866478 434450740 /nfs/dbraw/zinc/45/07/40/434450740.db2.gz XUXUKFOLHITVPL-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]Cc2cnn3ccccc23)cccc1[N+](=O)[O-] ZINC000353936497 434537181 /nfs/dbraw/zinc/53/71/81/434537181.db2.gz ZBGVTXNJVXSTGG-CYBMUJFWSA-N 1 0 310.357 3.402 20 5 DGBDRO Cc1cc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])on1 ZINC000353946767 434542026 /nfs/dbraw/zinc/54/20/26/434542026.db2.gz JOQYEQCHFOLMIA-LBPRGKRZSA-N 1 0 303.362 3.045 20 5 DGBDRO [NH3+]CCN(Cc1ccc(F)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000348896955 434546072 /nfs/dbraw/zinc/54/60/72/434546072.db2.gz VDJGVEAQBDTFIG-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO Cc1cc(C)cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000524687556 294982601 /nfs/dbraw/zinc/98/26/01/294982601.db2.gz UNQYZAYWNVHZOB-UHFFFAOYSA-N 1 0 300.358 3.380 20 5 DGBDRO [NH3+]CCN(Cc1coc2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000348920176 434556218 /nfs/dbraw/zinc/55/62/18/434556218.db2.gz IVFMSWWYFUDCHP-UHFFFAOYSA-N 1 0 311.341 3.306 20 5 DGBDRO Cc1nc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000408284368 434559431 /nfs/dbraw/zinc/55/94/31/434559431.db2.gz XQVZBNGDAXIJHH-YDHLFZDLSA-N 1 0 318.421 3.140 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525411646 295015331 /nfs/dbraw/zinc/01/53/31/295015331.db2.gz WIECUBBKGQVXFY-HOTGVXAUSA-N 1 0 322.405 3.109 20 5 DGBDRO CCc1cc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)on1 ZINC000527038713 295072910 /nfs/dbraw/zinc/07/29/10/295072910.db2.gz NACHWYQCICPKNM-GHXNOFRVSA-N 1 0 301.346 3.338 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000452124781 434586338 /nfs/dbraw/zinc/58/63/38/434586338.db2.gz WYFBNHPIOHQYSI-LBPRGKRZSA-N 1 0 311.813 3.163 20 5 DGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411283912 434754969 /nfs/dbraw/zinc/75/49/69/434754969.db2.gz XBMZOUJADLXJSV-STQMWFEESA-N 1 0 305.378 3.186 20 5 DGBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC1(C)C ZINC000419308943 434771398 /nfs/dbraw/zinc/77/13/98/434771398.db2.gz BCVCUOSUSNZPST-KGLIPLIRSA-N 1 0 319.405 3.256 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000371865607 434762626 /nfs/dbraw/zinc/76/26/26/434762626.db2.gz WWCAIXACKWBIEC-CQSZACIVSA-N 1 0 304.390 3.294 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000361030049 434771932 /nfs/dbraw/zinc/77/19/32/434771932.db2.gz IQJDWFYWHRWNMS-JKSUJKDBSA-N 1 0 322.405 3.285 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2cncs2)C2CC2)cc1 ZINC000411425041 434779016 /nfs/dbraw/zinc/77/90/16/434779016.db2.gz ZZRGDFBRKCBZJQ-UHFFFAOYSA-N 1 0 303.387 3.258 20 5 DGBDRO COCCCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419378898 434781875 /nfs/dbraw/zinc/78/18/75/434781875.db2.gz FFGLDIDGJKSSML-UHFFFAOYSA-N 1 0 319.361 3.108 20 5 DGBDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000372525151 434838116 /nfs/dbraw/zinc/83/81/16/434838116.db2.gz XLPIOCKOEQMNSU-AFAVFJNCSA-N 1 0 304.390 3.451 20 5 DGBDRO Cc1c(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411956527 434847396 /nfs/dbraw/zinc/84/73/96/434847396.db2.gz WDPXDZBPQKXEGB-AEFFLSMTSA-N 1 0 312.369 3.211 20 5 DGBDRO Cc1cc(N2CCC[C@H]2C[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000461948956 434892736 /nfs/dbraw/zinc/89/27/36/434892736.db2.gz PEUCKUOHEJUXEX-AWEZNQCLSA-N 1 0 321.396 3.497 20 5 DGBDRO Cc1cnc(NCC2([NH+](C)C)CCCCCC2)c([N+](=O)[O-])c1 ZINC000463049446 434940082 /nfs/dbraw/zinc/94/00/82/434940082.db2.gz TYYGFDKSYMTALP-UHFFFAOYSA-N 1 0 306.410 3.365 20 5 DGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000463032583 434940338 /nfs/dbraw/zinc/94/03/38/434940338.db2.gz YTDIEPNCFBWXAC-JKSUJKDBSA-N 1 0 306.406 3.319 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCc3ccccc3CC2)cc1 ZINC000523859174 434964923 /nfs/dbraw/zinc/96/49/23/434964923.db2.gz VKGOPPHYTFCDSZ-UHFFFAOYSA-N 1 0 312.369 3.074 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](OC)C1CC1 ZINC000556240817 435002067 /nfs/dbraw/zinc/00/20/67/435002067.db2.gz KCTBPRIFJJEJRT-ZFWWWQNUSA-N 1 0 324.446 3.480 20 5 DGBDRO CC1(C)CC(N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000578378837 435079839 /nfs/dbraw/zinc/07/98/39/435079839.db2.gz QOGIGQVUZDZUDF-HNNXBMFYSA-N 1 0 317.433 3.481 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000557272260 435049138 /nfs/dbraw/zinc/04/91/38/435049138.db2.gz JWCWFZVZBLQSBU-CZUORRHYSA-N 1 0 306.406 3.495 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cn1 ZINC000558742154 435109239 /nfs/dbraw/zinc/10/92/39/435109239.db2.gz XGHFDIXZRNJPFG-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000467205089 435110617 /nfs/dbraw/zinc/11/06/17/435110617.db2.gz FYXFBZZXKALHRD-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000532755629 435192453 /nfs/dbraw/zinc/19/24/53/435192453.db2.gz CKWVCCHQWXMWET-UHFFFAOYSA-N 1 0 319.405 3.436 20 5 DGBDRO Cn1ncc2ccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cc21 ZINC000579978691 435197793 /nfs/dbraw/zinc/19/77/93/435197793.db2.gz ZWZZHHMHGHRSKD-MRXNPFEDSA-N 1 0 322.368 3.259 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000579533216 435162161 /nfs/dbraw/zinc/16/21/61/435162161.db2.gz LTOAXVNEVSNIQY-WWRUEGTHSA-N 1 0 305.422 3.318 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000532582151 435178865 /nfs/dbraw/zinc/17/88/65/435178865.db2.gz KOBUKJONWPENAK-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO COC(=O)Nc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000496648853 435236886 /nfs/dbraw/zinc/23/68/86/435236886.db2.gz JDFLDJHYTNOKSC-UHFFFAOYSA-N 1 0 315.329 3.063 20 5 DGBDRO CC(C)(CNc1c(F)cc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000478045357 435290036 /nfs/dbraw/zinc/29/00/36/435290036.db2.gz JZLMBDBCSNQYHP-UHFFFAOYSA-N 1 0 313.348 3.407 20 5 DGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC(C(C)(C)C)CC1 ZINC000478435266 435299139 /nfs/dbraw/zinc/29/91/39/435299139.db2.gz YTLPDQYKANHFAF-UHFFFAOYSA-N 1 0 308.426 3.328 20 5 DGBDRO CCCC[N@H+](C)CCNc1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000479997918 435360420 /nfs/dbraw/zinc/36/04/20/435360420.db2.gz SXXDBYWZJOEJST-UHFFFAOYSA-N 1 0 307.394 3.331 20 5 DGBDRO C[N@H+](CCOc1ccccc1F)CCc1ccccc1[N+](=O)[O-] ZINC000511057559 435313122 /nfs/dbraw/zinc/31/31/22/435313122.db2.gz ATYXEXRQWGUYOT-UHFFFAOYSA-N 1 0 318.348 3.287 20 5 DGBDRO C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000513822069 435401509 /nfs/dbraw/zinc/40/15/09/435401509.db2.gz VXVHVXAZEZQCMI-XCRHUMRWSA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@]1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000513822245 435401729 /nfs/dbraw/zinc/40/17/29/435401729.db2.gz YPRLPSGLDWQRHO-QILLFSRXSA-N 1 0 318.417 3.322 20 5 DGBDRO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000536668891 435402505 /nfs/dbraw/zinc/40/25/05/435402505.db2.gz IHJXELPSZKZYLT-AOOOYVTPSA-N 1 0 300.305 3.284 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000536745146 435408078 /nfs/dbraw/zinc/40/80/78/435408078.db2.gz GXVZNFLBEBDMKU-CHWSQXEVSA-N 1 0 308.378 3.245 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000481182587 435413027 /nfs/dbraw/zinc/41/30/27/435413027.db2.gz YIAUZVVQFZJRTK-KCQAQPDRSA-N 1 0 322.405 3.397 20 5 DGBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536363800 435377963 /nfs/dbraw/zinc/37/79/63/435377963.db2.gz SADWVVJRDNQZPT-VXGBXAGGSA-N 1 0 301.346 3.480 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCC(F)(F)F ZINC000537965431 435474999 /nfs/dbraw/zinc/47/49/99/435474999.db2.gz LLUMCVLGQQSAFT-JTQLQIEISA-N 1 0 306.284 3.133 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000481617635 435437488 /nfs/dbraw/zinc/43/74/88/435437488.db2.gz VQTJPOHAGOOYAL-ZDUSSCGKSA-N 1 0 308.378 3.104 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCC3CCCCC3)C2)nc1 ZINC000483266346 435505378 /nfs/dbraw/zinc/50/53/78/435505378.db2.gz WBTRDLABKHMVRD-OAHLLOKOSA-N 1 0 318.421 3.446 20 5 DGBDRO CC(C)[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCC1 ZINC000569472907 435536520 /nfs/dbraw/zinc/53/65/20/435536520.db2.gz SRRVVYFNYIXIDC-WMZOPIPTSA-N 1 0 317.433 3.292 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000569258348 435519011 /nfs/dbraw/zinc/51/90/11/435519011.db2.gz CNKFLMQEKMFLJT-DYVFJYSZSA-N 1 0 315.417 3.189 20 5 DGBDRO C[C@H]1Cc2ccccc2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000518022044 435622726 /nfs/dbraw/zinc/62/27/26/435622726.db2.gz GTHVJQOIFYZGIW-AWEZNQCLSA-N 1 0 312.369 3.420 20 5 DGBDRO CC(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000540962183 435630618 /nfs/dbraw/zinc/63/06/18/435630618.db2.gz VBQKGDMOTOIEFZ-UKRRQHHQSA-N 1 0 306.406 3.311 20 5 DGBDRO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000487965740 435630722 /nfs/dbraw/zinc/63/07/22/435630722.db2.gz URODLFBCPWPYAB-IUODEOHRSA-N 1 0 310.369 3.371 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000487989655 435631508 /nfs/dbraw/zinc/63/15/08/435631508.db2.gz AMOQDTFOLZKSST-RHSMWYFYSA-N 1 0 305.422 3.236 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@@H](F)C2)n1 ZINC000571208249 435686556 /nfs/dbraw/zinc/68/65/56/435686556.db2.gz MCYOAROQEHWCCJ-ZOBORPQBSA-N 1 0 310.373 3.145 20 5 DGBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])OCC1CC1 ZINC000571344530 435698708 /nfs/dbraw/zinc/69/87/08/435698708.db2.gz JYXSOAFLPHULEB-OAHLLOKOSA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1 ZINC000173416815 312756857 /nfs/dbraw/zinc/75/68/57/312756857.db2.gz NCXQSXVOGPXHBS-CYBMUJFWSA-N 1 0 312.369 3.423 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1 ZINC000173416799 312756873 /nfs/dbraw/zinc/75/68/73/312756873.db2.gz NCXQSXVOGPXHBS-ZDUSSCGKSA-N 1 0 312.369 3.423 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000377251231 313033972 /nfs/dbraw/zinc/03/39/72/313033972.db2.gz PMZDUMOUVZCRLA-RCFWFJCLSA-N 1 0 316.401 3.357 20 5 DGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000537095189 313796898 /nfs/dbraw/zinc/79/68/98/313796898.db2.gz NUZVUNFJZQFEHW-JFIYKMOQSA-N 1 0 318.417 3.321 20 5 DGBDRO CN1Cc2ccccc2[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000537319963 313808211 /nfs/dbraw/zinc/80/82/11/313808211.db2.gz WZDNCNFQUMHJEH-YOCVDRLZSA-N 1 0 323.396 3.384 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000539297931 313906801 /nfs/dbraw/zinc/90/68/01/313906801.db2.gz WOMKUSWGVUQSKI-DUVNUKRYSA-N 1 0 322.405 3.459 20 5 DGBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccccc1O ZINC000541551681 314022570 /nfs/dbraw/zinc/02/25/70/314022570.db2.gz PZMRRDGEKYORJZ-TWGQIWQCSA-N 1 0 312.369 3.488 20 5 DGBDRO C[C@@H]([NH2+]C1(C2CC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000541596649 314027225 /nfs/dbraw/zinc/02/72/25/314027225.db2.gz CLMNNGNEPTVJBD-SECBINFHSA-N 1 0 323.780 3.107 20 5 DGBDRO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000542322271 314070467 /nfs/dbraw/zinc/07/04/67/314070467.db2.gz SLUVYAQZRYOZNX-CYBMUJFWSA-N 1 0 319.405 3.291 20 5 DGBDRO COC(=O)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000542532559 314083490 /nfs/dbraw/zinc/08/34/90/314083490.db2.gz RVBGDBRJPBWEGP-INIZCTEOSA-N 1 0 320.389 3.196 20 5 DGBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000542977365 314109033 /nfs/dbraw/zinc/10/90/33/314109033.db2.gz FRULKGSHWKNCMR-KFWWJZLASA-N 1 0 304.390 3.484 20 5 DGBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000542977367 314109208 /nfs/dbraw/zinc/10/92/08/314109208.db2.gz FRULKGSHWKNCMR-RBSFLKMASA-N 1 0 304.390 3.484 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000548486989 314452023 /nfs/dbraw/zinc/45/20/23/314452023.db2.gz CSFQHZVQADFJRC-GDBMZVCRSA-N 1 0 314.385 3.157 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(C)CCCO1 ZINC000551294998 314557163 /nfs/dbraw/zinc/55/71/63/314557163.db2.gz XWJNLDNVCMCUHE-IAQYHMDHSA-N 1 0 312.797 3.338 20 5 DGBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CC[NH2+]C1 ZINC000563130758 315082119 /nfs/dbraw/zinc/08/21/19/315082119.db2.gz UUYCDTLCGNWURF-GFCCVEGCSA-N 1 0 317.414 3.117 20 5 DGBDRO CCN1CCCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418426 315113283 /nfs/dbraw/zinc/11/32/83/315113283.db2.gz PEFCJDOTQNVZTQ-XJKSGUPXSA-N 1 0 303.406 3.046 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563634579 315129084 /nfs/dbraw/zinc/12/90/84/315129084.db2.gz DFOCMHQDHWQELT-WOSRLPQWSA-N 1 0 303.406 3.045 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563634580 315129133 /nfs/dbraw/zinc/12/91/33/315129133.db2.gz DFOCMHQDHWQELT-XJKCOSOUSA-N 1 0 303.406 3.045 20 5 DGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000563671423 315130506 /nfs/dbraw/zinc/13/05/06/315130506.db2.gz WYCBITNQYURLMO-KGLIPLIRSA-N 1 0 321.421 3.106 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2COc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000569413409 315579169 /nfs/dbraw/zinc/57/91/69/315579169.db2.gz DVLSOVSCHDUMCO-INIZCTEOSA-N 1 0 312.369 3.305 20 5 DGBDRO Cc1ccccc1[C@H]([C@H](C)Nc1ccc([N+](=O)[O-])nc1)[NH+](C)C ZINC000572331426 315784484 /nfs/dbraw/zinc/78/44/84/315784484.db2.gz IIWHWDAPUCBZQM-GUYCJALGSA-N 1 0 314.389 3.402 20 5 DGBDRO CCOC1CC(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000573020334 315835017 /nfs/dbraw/zinc/83/50/17/315835017.db2.gz HPOZUEFWXYNHCG-ZUEPYMLJSA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000573707936 315892574 /nfs/dbraw/zinc/89/25/74/315892574.db2.gz NWCCHNULYXIFCW-PRHODGIISA-N 1 0 318.204 3.288 20 5 DGBDRO CO[C@@](C)([C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000575881139 316072293 /nfs/dbraw/zinc/07/22/93/316072293.db2.gz HJUCIXQOMTVWTO-KCTSRDHCSA-N 1 0 304.390 3.375 20 5 DGBDRO Cc1cc(N[C@H](C)C[C@H](C)[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575922747 316075665 /nfs/dbraw/zinc/07/56/65/316075665.db2.gz HLUSQZIZTOCDBS-DTWKUNHWSA-N 1 0 305.300 3.460 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000576221154 316107001 /nfs/dbraw/zinc/10/70/01/316107001.db2.gz YBZHBWGECDVFFX-KBXCAEBGSA-N 1 0 314.385 3.157 20 5 DGBDRO CCCC[NH+]1CCC(N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577412845 316234343 /nfs/dbraw/zinc/23/43/43/316234343.db2.gz RCIIIKFFIBUJOZ-KRWDZBQOSA-N 1 0 317.433 3.436 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)C1CC1 ZINC000577733386 316265000 /nfs/dbraw/zinc/26/50/00/316265000.db2.gz KYLGUPKYXKWKPG-ZIAGYGMSSA-N 1 0 324.446 3.074 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CCO)c1ccccc1 ZINC000577962764 316289626 /nfs/dbraw/zinc/28/96/26/316289626.db2.gz FFKKMJXXNRQBIX-IAGOWNOFSA-N 1 0 312.369 3.295 20 5 DGBDRO Cc1cccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C(C)(C)C)c1 ZINC000180787992 323238144 /nfs/dbraw/zinc/23/81/44/323238144.db2.gz HLMBKMBQDKCXRI-INIZCTEOSA-N 1 0 316.405 3.477 20 5 DGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182945441 323316740 /nfs/dbraw/zinc/31/67/40/323316740.db2.gz LDGYDYXYKHQWHX-ZDUSSCGKSA-N 1 0 319.405 3.482 20 5 DGBDRO C[C@@H](NCC1(C[NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184473695 323366187 /nfs/dbraw/zinc/36/61/87/323366187.db2.gz HBLYSXHKSLZXTJ-CQSZACIVSA-N 1 0 305.422 3.367 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1COCc2ccccc21 ZINC000580216418 323973643 /nfs/dbraw/zinc/97/36/43/323973643.db2.gz XPKZILGLYLXFEL-IAGOWNOFSA-N 1 0 310.353 3.443 20 5 DGBDRO CC[N@H+](CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000581111432 324075477 /nfs/dbraw/zinc/07/54/77/324075477.db2.gz VXKDJALNBBGVNX-KRWDZBQOSA-N 1 0 305.422 3.292 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@H]3C=CCCCCC3)C2)nc1 ZINC000581501637 324124126 /nfs/dbraw/zinc/12/41/26/324124126.db2.gz FPEFJKCZXOLRQP-CABCVRRESA-N 1 0 316.405 3.365 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC(C2CC2)C2CC2)n1 ZINC000581528196 324126656 /nfs/dbraw/zinc/12/66/56/324126656.db2.gz SZKXUWWGHJLWHX-HZPDHXFCSA-N 1 0 318.421 3.301 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC(C2CC2)C2CC2)n1 ZINC000581528194 324126674 /nfs/dbraw/zinc/12/66/74/324126674.db2.gz SZKXUWWGHJLWHX-CVEARBPZSA-N 1 0 318.421 3.301 20 5 DGBDRO CC(C)[C@H](CO)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000583771388 324395741 /nfs/dbraw/zinc/39/57/41/324395741.db2.gz XNTSZOMRVYAOJE-PVAVHDDUSA-N 1 0 320.433 3.160 20 5 DGBDRO C[C@@H](C[NH+]1CCCCCC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000302412655 533825987 /nfs/dbraw/zinc/82/59/87/533825987.db2.gz MUJYEMNBSUUPEX-NSHDSACASA-N 1 0 312.801 3.320 20 5 DGBDRO Cc1c(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000318457794 533842222 /nfs/dbraw/zinc/84/22/22/533842222.db2.gz QLYFYYSZPUIVMA-CJNGLKHVSA-N 1 0 306.406 3.419 20 5 DGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C2CC2)c1 ZINC000295579347 533877066 /nfs/dbraw/zinc/87/70/66/533877066.db2.gz ZIHAVDFCGNTWQK-LBPRGKRZSA-N 1 0 300.362 3.020 20 5 DGBDRO Cc1ccc(C[N@@H+](CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000428077691 533885743 /nfs/dbraw/zinc/88/57/43/533885743.db2.gz LHPMQKGQLNAGPB-UHFFFAOYSA-N 1 0 305.422 3.209 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429567707 533900131 /nfs/dbraw/zinc/90/01/31/533900131.db2.gz MQKDRNHZTBUPKN-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429567713 533900241 /nfs/dbraw/zinc/90/02/41/533900241.db2.gz MQKDRNHZTBUPKN-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)O1 ZINC000296683386 533955449 /nfs/dbraw/zinc/95/54/49/533955449.db2.gz HAMFHCTWKMKCIY-KKFJDGPESA-N 1 0 318.295 3.269 20 5 DGBDRO COc1ccccc1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178639762 534046683 /nfs/dbraw/zinc/04/66/83/534046683.db2.gz ZPALAOCLISGATQ-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000415294519 534323263 /nfs/dbraw/zinc/32/32/63/534323263.db2.gz KSUDTHZWHFMQSO-INIZCTEOSA-N 1 0 322.409 3.097 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000163404068 521176342 /nfs/dbraw/zinc/17/63/42/521176342.db2.gz OLXYDRMSZZWIGL-PYDTXJQDSA-N 1 0 312.435 3.183 20 5 DGBDRO CC[NH+]1CCC(CCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153843277 521548802 /nfs/dbraw/zinc/54/88/02/521548802.db2.gz VBFWHKNQPIICJE-UHFFFAOYSA-N 1 0 312.801 3.177 20 5 DGBDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000160545875 521659686 /nfs/dbraw/zinc/65/96/86/521659686.db2.gz VNUVSMMFWCCNQK-UHFFFAOYSA-N 1 0 322.409 3.181 20 5 DGBDRO CC(=O)c1ccc(NCC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000302183914 527316333 /nfs/dbraw/zinc/31/63/33/527316333.db2.gz SQHRBROGPLUIFS-ZDUSSCGKSA-N 1 0 319.405 3.474 20 5 DGBDRO CC(C)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000444202597 527653630 /nfs/dbraw/zinc/65/36/30/527653630.db2.gz XDNPUGLTKGDMEQ-ZDUSSCGKSA-N 1 0 319.405 3.290 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c3ncccc32)CC1 ZINC000413118842 527734991 /nfs/dbraw/zinc/73/49/91/527734991.db2.gz VJKNVUDDKSSTET-UHFFFAOYSA-N 1 0 314.389 3.110 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430640507 528210417 /nfs/dbraw/zinc/21/04/17/528210417.db2.gz QZSTWBICSOWQDC-CJNGLKHVSA-N 1 0 321.421 3.084 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC[C@@H]([NH3+])C(C)C ZINC000430576838 528211000 /nfs/dbraw/zinc/21/10/00/528211000.db2.gz YHPZDASANNGOCX-MRXNPFEDSA-N 1 0 323.437 3.187 20 5 DGBDRO CCCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430238098 528571847 /nfs/dbraw/zinc/57/18/47/528571847.db2.gz JSJMHHLODUMWTQ-UHFFFAOYSA-N 1 0 322.405 3.385 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CC)C(C)(C)O)cc1[N+](=O)[O-] ZINC000294909069 528596876 /nfs/dbraw/zinc/59/68/76/528596876.db2.gz GCVLRYYNWJKTIM-ABAIWWIYSA-N 1 0 310.394 3.194 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000296639347 528607485 /nfs/dbraw/zinc/60/74/85/528607485.db2.gz XYBGFDSPVJAXMF-OLZOCXBDSA-N 1 0 310.394 3.053 20 5 DGBDRO CCOc1cccc(NC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000420620877 528673128 /nfs/dbraw/zinc/67/31/28/528673128.db2.gz CCDUAEVWFVJRFW-UHFFFAOYSA-N 1 0 307.394 3.278 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429292843 529115475 /nfs/dbraw/zinc/11/54/75/529115475.db2.gz YIFZUANCIHJLDO-LSDHHAIUSA-N 1 0 310.369 3.417 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCOCC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433120998 529139185 /nfs/dbraw/zinc/13/91/85/529139185.db2.gz PYIGLTYCAZFVRP-MRXNPFEDSA-N 1 0 304.390 3.333 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000429794625 529321824 /nfs/dbraw/zinc/32/18/24/529321824.db2.gz XMUIGRFTFWLCKU-UKRRQHHQSA-N 1 0 319.405 3.400 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000449156932 535516822 /nfs/dbraw/zinc/51/68/22/535516822.db2.gz UCRARKOOJYDPGK-XOKHGSTOSA-N 1 0 318.417 3.463 20 5 DGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000452052800 535743652 /nfs/dbraw/zinc/74/36/52/535743652.db2.gz NYSHRQDHHBODMQ-HUUCEWRRSA-N 1 0 308.378 3.041 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)O ZINC000449538726 535915301 /nfs/dbraw/zinc/91/53/01/535915301.db2.gz HSCPGXCMBALYHL-NHYWBVRUSA-N 1 0 304.346 3.104 20 5 DGBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449639771 536009099 /nfs/dbraw/zinc/00/90/99/536009099.db2.gz QNVBOGNOTIXQCX-HOCLYGCPSA-N 1 0 318.373 3.494 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000459419031 546892039 /nfs/dbraw/zinc/89/20/39/546892039.db2.gz GXPRTQTXCQTWBX-GFCCVEGCSA-N 1 0 312.373 3.421 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)sc2c1 ZINC000731206699 574545245 /nfs/dbraw/zinc/54/52/45/574545245.db2.gz PDMBAYJCPORCGG-GHMZBOCLSA-N 1 0 318.402 3.243 20 5 DGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccccc1F ZINC000731669310 574554904 /nfs/dbraw/zinc/55/49/04/574554904.db2.gz FOAUDGFRYKKXNF-UHFFFAOYSA-N 1 0 318.348 3.287 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000731678748 574556769 /nfs/dbraw/zinc/55/67/69/574556769.db2.gz PAVUJNWBDKGWIZ-QGZVFWFLSA-N 1 0 300.358 3.035 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000731679307 574556778 /nfs/dbraw/zinc/55/67/78/574556778.db2.gz ZQPWELCHZYNROG-MRXNPFEDSA-N 1 0 312.325 3.164 20 5 DGBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000731678710 574556935 /nfs/dbraw/zinc/55/69/35/574556935.db2.gz OJSBERFAYPVGBT-HFBAOOFYSA-N 1 0 316.357 3.134 20 5 DGBDRO Cc1nn(C)c(NCCCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000732568018 574575971 /nfs/dbraw/zinc/57/59/71/574575971.db2.gz YCRZUCUMSRZPDN-UHFFFAOYSA-N 1 0 323.441 3.095 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000734846288 574678701 /nfs/dbraw/zinc/67/87/01/574678701.db2.gz PWRTWFWRCAIJFB-RHSMWYFYSA-N 1 0 314.385 3.157 20 5 DGBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000740870593 574944086 /nfs/dbraw/zinc/94/40/86/574944086.db2.gz FZOHFTGYDILELK-SWLSCSKDSA-N 1 0 319.405 3.106 20 5 DGBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cn1nccc1[N+](=O)[O-] ZINC000742178567 574983768 /nfs/dbraw/zinc/98/37/68/574983768.db2.gz XCZCIHBRSZNTSV-INIZCTEOSA-N 1 0 316.405 3.400 20 5 DGBDRO C[C@H]([NH2+][C@@H](CCO)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000746049151 575428734 /nfs/dbraw/zinc/42/87/34/575428734.db2.gz LDBDNUMUJDRVLR-FZMZJTMJSA-N 1 0 306.387 3.431 20 5 DGBDRO CC(C)[N@@H+]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746666821 575467806 /nfs/dbraw/zinc/46/78/06/575467806.db2.gz RGHJUCAQFWNXAH-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746669484 575468449 /nfs/dbraw/zinc/46/84/49/575468449.db2.gz DJSJUJQCPUALQY-GJZGRUSLSA-N 1 0 312.797 3.374 20 5 DGBDRO CCCC[N@H+](CCOC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746674315 575468747 /nfs/dbraw/zinc/46/87/47/575468747.db2.gz UKVVNPKMJCRMEE-UHFFFAOYSA-N 1 0 300.786 3.497 20 5 DGBDRO CO[C@H](C)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000746676070 575469613 /nfs/dbraw/zinc/46/96/13/575469613.db2.gz ZLQSCDIFLQTCKO-LLVKDONJSA-N 1 0 300.786 3.494 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000749558955 575664822 /nfs/dbraw/zinc/66/48/22/575664822.db2.gz KDZXNMOILVDIBI-STQMWFEESA-N 1 0 324.808 3.497 20 5 DGBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000749670256 575671295 /nfs/dbraw/zinc/67/12/95/575671295.db2.gz KABYIDTVADFBQS-QGZVFWFLSA-N 1 0 314.385 3.196 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000749841337 575682565 /nfs/dbraw/zinc/68/25/65/575682565.db2.gz WMZPOAGMNQXZIN-UONOGXRCSA-N 1 0 312.369 3.497 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](C2CC2)C2CCCCC2)c1 ZINC000750039853 575699333 /nfs/dbraw/zinc/69/93/33/575699333.db2.gz LKKSKMQLANBWFW-QGZVFWFLSA-N 1 0 304.390 3.425 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000750094617 575703435 /nfs/dbraw/zinc/70/34/35/575703435.db2.gz DQLURCBZORPQOU-INIZCTEOSA-N 1 0 316.332 3.046 20 5 DGBDRO C[C@@H]1C[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@H]1C ZINC000751926644 575812368 /nfs/dbraw/zinc/81/23/68/575812368.db2.gz ICTZDSVWTDXKRH-CHWSQXEVSA-N 1 0 300.362 3.004 20 5 DGBDRO CC[N@@H+]1CC[C@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000749319698 576093426 /nfs/dbraw/zinc/09/34/26/576093426.db2.gz AIGQXUNQQQBFCM-MNOVXSKESA-N 1 0 313.348 3.182 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000852649877 620637884 /nfs/dbraw/zinc/63/78/84/620637884.db2.gz CPOBYGZETFDHDR-QXKCDYLGSA-N 1 0 310.369 3.135 20 5 DGBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154383630 620666903 /nfs/dbraw/zinc/66/69/03/620666903.db2.gz SOIMZBJMLPFLBQ-BMFZPTHFSA-N 1 0 324.446 3.234 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC000154367662 620666057 /nfs/dbraw/zinc/66/60/57/620666057.db2.gz SSJXFLXQJPBFMG-INIZCTEOSA-N 1 0 304.390 3.284 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000111193907 620680677 /nfs/dbraw/zinc/68/06/77/620680677.db2.gz VHQZTMHPWOEYGG-LLVKDONJSA-N 1 0 320.418 3.348 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000853393349 620691650 /nfs/dbraw/zinc/69/16/50/620691650.db2.gz CROVJXOXSJFNNU-LBPRGKRZSA-N 1 0 313.348 3.453 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804834781 617682258 /nfs/dbraw/zinc/68/22/58/617682258.db2.gz OYQLLSTUTHCRNY-LBPRGKRZSA-N 1 0 320.418 3.491 20 5 DGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000804852713 617743444 /nfs/dbraw/zinc/74/34/44/617743444.db2.gz MKVODCSBJAUKNW-SMDDNHRTSA-N 1 0 309.797 3.311 20 5 DGBDRO C[C@H]1CC2(CC([NH2+]CCc3ccc(Cl)cc3[N+](=O)[O-])C2)CO1 ZINC000926112833 617769555 /nfs/dbraw/zinc/76/95/55/617769555.db2.gz GXFIHBGBUNMXEN-WJFWJRBTSA-N 1 0 324.808 3.338 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@H](C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000892659915 618129254 /nfs/dbraw/zinc/12/92/54/618129254.db2.gz MMZQXGADPAVKDT-SNVBAGLBSA-N 1 0 322.386 3.091 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CCc1ccc(F)c(F)c1 ZINC000893068582 618411885 /nfs/dbraw/zinc/41/18/85/618411885.db2.gz RKCOUJINIKUDGH-UHFFFAOYSA-N 1 0 306.312 3.248 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)C[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000893521361 618582514 /nfs/dbraw/zinc/58/25/14/618582514.db2.gz DBHZPDSMGHQQHW-GFCCVEGCSA-N 1 0 306.362 3.097 20 5 DGBDRO Cc1n[nH]c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C ZINC000893945603 618681138 /nfs/dbraw/zinc/68/11/38/618681138.db2.gz ANTYNJYNWGYDCC-UHFFFAOYSA-N 1 0 300.362 3.099 20 5 DGBDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000894201249 618727834 /nfs/dbraw/zinc/72/78/34/618727834.db2.gz XAJATBDCHJQKTG-GFCCVEGCSA-N 1 0 320.311 3.110 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1CSC1 ZINC000895422249 618783276 /nfs/dbraw/zinc/78/32/76/618783276.db2.gz XGQPWGCNMMRMLD-ZFWWWQNUSA-N 1 0 306.431 3.259 20 5 DGBDRO CC1([NH+]2CCCC2)CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000895525941 618794638 /nfs/dbraw/zinc/79/46/38/618794638.db2.gz GBAUUEFWXDXVMT-UHFFFAOYSA-N 1 0 318.421 3.386 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1C[C@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000895942638 618852925 /nfs/dbraw/zinc/85/29/25/618852925.db2.gz JHZZEKNARBELHL-BREBYQMCSA-N 1 0 313.195 3.419 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000896046208 618865434 /nfs/dbraw/zinc/86/54/34/618865434.db2.gz BAORSRCAXRFJHJ-CYBMUJFWSA-N 1 0 310.781 3.297 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000896253856 618892268 /nfs/dbraw/zinc/89/22/68/618892268.db2.gz DYOCZKZEYFFERS-UHFFFAOYSA-N 1 0 304.394 3.117 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000896262259 618894583 /nfs/dbraw/zinc/89/45/83/618894583.db2.gz VCGSWMOZKWBBAA-VHRNVKJDSA-N 1 0 306.431 3.401 20 5 DGBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(OC)n1 ZINC000925151124 619052812 /nfs/dbraw/zinc/05/28/12/619052812.db2.gz ABDKEMUSTGWUFL-CQSZACIVSA-N 1 0 315.373 3.282 20 5 DGBDRO Cc1c(Cl)c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])nn1C ZINC000897459965 619129985 /nfs/dbraw/zinc/12/99/85/619129985.db2.gz DOSCACRIAKNBQT-SNVBAGLBSA-N 1 0 322.796 3.183 20 5 DGBDRO CCC1(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000897465886 619130541 /nfs/dbraw/zinc/13/05/41/619130541.db2.gz KFYNIDMEOMIBJS-AWEZNQCLSA-N 1 0 306.406 3.495 20 5 DGBDRO CC(C)Cn1nccc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464072 619130554 /nfs/dbraw/zinc/13/05/54/619130554.db2.gz KFWSLEGERVLOFJ-AWEZNQCLSA-N 1 0 316.405 3.341 20 5 DGBDRO CC[C@@H]1C[C@@H](C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000897466395 619130611 /nfs/dbraw/zinc/13/06/11/619130611.db2.gz SZLNVUARPLQFKL-QLFBSQMISA-N 1 0 306.406 3.493 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000897504742 619140230 /nfs/dbraw/zinc/14/02/30/619140230.db2.gz YXEFBMVRBMQYGW-YLQAJVPDSA-N 1 0 302.374 3.129 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897538786 619152123 /nfs/dbraw/zinc/15/21/23/619152123.db2.gz FXKNGEVUGSSCDD-BBRMVZONSA-N 1 0 322.405 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)nc2c1 ZINC000897746501 619181142 /nfs/dbraw/zinc/18/11/42/619181142.db2.gz MEIJDYANVCFPLF-CLYYMRHHSA-N 1 0 319.386 3.252 20 5 DGBDRO C[C@@H]1CC2(CC([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CO1 ZINC000897780129 619181782 /nfs/dbraw/zinc/18/17/82/619181782.db2.gz FKQBOGVMHWLYSM-ZZJLNTIPSA-N 1 0 310.781 3.295 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H]2CCCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000898049695 619205032 /nfs/dbraw/zinc/20/50/32/619205032.db2.gz JZDAOFUGJZWCMW-CYBMUJFWSA-N 1 0 308.378 3.041 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898061921 619210025 /nfs/dbraw/zinc/21/00/25/619210025.db2.gz QDKIPQNQWBCDKI-SWLSCSKDSA-N 1 0 322.792 3.297 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC23CCCC3)cc1Cl ZINC000898112603 619215058 /nfs/dbraw/zinc/21/50/58/619215058.db2.gz TUQWRFXCDIWHEF-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000926916326 619248454 /nfs/dbraw/zinc/24/84/54/619248454.db2.gz PGTVLMVKKKEDOR-DJSGYFEHSA-N 1 0 308.353 3.344 20 5 DGBDRO C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000926964637 619253516 /nfs/dbraw/zinc/25/35/16/619253516.db2.gz SSCPNHPHSBIMOC-ZWNOBZJWSA-N 1 0 319.327 3.128 20 5 DGBDRO COC(=O)C1(CCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000898413340 619272451 /nfs/dbraw/zinc/27/24/51/619272451.db2.gz VPPYKPBKVMBXCY-UHFFFAOYSA-N 1 0 320.389 3.198 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCN1C(C)(C)C ZINC000899937850 619384477 /nfs/dbraw/zinc/38/44/77/619384477.db2.gz RQXRPSCYHXSJAO-CYBMUJFWSA-N 1 0 305.378 3.023 20 5 DGBDRO Cc1ccc([C@@H](C)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000902447584 619639532 /nfs/dbraw/zinc/63/95/32/619639532.db2.gz ZTJKNAZLCWSCQJ-XHBKTUGNSA-N 1 0 311.385 3.179 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2C1 ZINC000902853239 619683370 /nfs/dbraw/zinc/68/33/70/619683370.db2.gz KVENTGIOBIWTEV-CZUORRHYSA-N 1 0 312.369 3.324 20 5 DGBDRO COc1cccc(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)c1 ZINC000903057800 619707218 /nfs/dbraw/zinc/70/72/18/619707218.db2.gz FKGKEUHLCSIIJG-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2ccc(O)cc2)cc([N+](=O)[O-])c1 ZINC000903081071 619712665 /nfs/dbraw/zinc/71/26/65/619712665.db2.gz SAZWGHDDKMWFFO-LBPRGKRZSA-N 1 0 316.357 3.202 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H](CCO)CC(C)C)cc([N+](=O)[O-])c1 ZINC000903104238 619717208 /nfs/dbraw/zinc/71/72/08/619717208.db2.gz GAFWYXIRFMBNSX-KBPBESRZSA-N 1 0 324.421 3.299 20 5 DGBDRO COCCC1(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CCC1 ZINC000903110484 619718345 /nfs/dbraw/zinc/71/83/45/619718345.db2.gz CUDUUPULZUINKT-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903096994 619719559 /nfs/dbraw/zinc/71/95/59/619719559.db2.gz OKSOMGTVMQCSKN-HWWQOWPSSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903184373 619731994 /nfs/dbraw/zinc/73/19/94/619731994.db2.gz WESKUHQJKYSJDK-DETPVDSQSA-N 1 0 308.378 3.210 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)C(C)(C)O)cc([N+](=O)[O-])c1 ZINC000903185333 619732510 /nfs/dbraw/zinc/73/25/10/619732510.db2.gz DNKGXTUCSYPISU-LLVKDONJSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)cc([N+](=O)[O-])c1 ZINC000903193136 619733652 /nfs/dbraw/zinc/73/36/52/619733652.db2.gz CTVQJJIFUOXKQD-IUIKQTSFSA-N 1 0 308.378 3.212 20 5 DGBDRO C[C@H](NCc1cc(N(C)C)cc[nH+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000903196903 619734290 /nfs/dbraw/zinc/73/42/90/619734290.db2.gz HHMOIYHUKPSRAS-NSHDSACASA-N 1 0 318.352 3.046 20 5 DGBDRO Cc1ccc([C@H](C)NCc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000903203982 619736258 /nfs/dbraw/zinc/73/62/58/619736258.db2.gz ZNYXLSXYPIYNJO-ZDUSSCGKSA-N 1 0 314.389 3.215 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@](C)(OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903186126 619736282 /nfs/dbraw/zinc/73/62/82/619736282.db2.gz NPPQYLSEEIJRBE-PRXAMGSTSA-N 1 0 322.405 3.458 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@]2(C)CCCCO2)cc([N+](=O)[O-])c1 ZINC000903224797 619737794 /nfs/dbraw/zinc/73/77/94/619737794.db2.gz ASTMCOZCYGAFFT-BLLLJJGKSA-N 1 0 308.378 3.213 20 5 DGBDRO Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1[N+](=O)[O-] ZINC000903214765 619739913 /nfs/dbraw/zinc/73/99/13/619739913.db2.gz XGWGVPNHSHNKSJ-ZXFUBFMLSA-N 1 0 315.417 3.151 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000903246341 619742308 /nfs/dbraw/zinc/74/23/08/619742308.db2.gz SYWLLSOKEVRCOJ-GHMZBOCLSA-N 1 0 305.334 3.046 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)c1ccccc1[N+](=O)[O-] ZINC000903244798 619743155 /nfs/dbraw/zinc/74/31/55/619743155.db2.gz DKURPWVYVZUILP-WFASDCNBSA-N 1 0 314.389 3.099 20 5 DGBDRO Cc1ncncc1[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245233 619743594 /nfs/dbraw/zinc/74/35/94/619743594.db2.gz KRXCWAUWZPITHW-RYUDHWBXSA-N 1 0 300.362 3.148 20 5 DGBDRO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244938 619743675 /nfs/dbraw/zinc/74/36/75/619743675.db2.gz GQZDSEWTOQFIEY-OFQRWUPVSA-N 1 0 306.406 3.493 20 5 DGBDRO Cc1ncncc1[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245231 619743748 /nfs/dbraw/zinc/74/37/48/619743748.db2.gz KRXCWAUWZPITHW-NEPJUHHUSA-N 1 0 300.362 3.148 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000903252575 619745249 /nfs/dbraw/zinc/74/52/49/619745249.db2.gz NJENYTUCVRBNQM-WBIUFABUSA-N 1 0 308.353 3.342 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000903279740 619751726 /nfs/dbraw/zinc/75/17/26/619751726.db2.gz PDTHIJMVMKCRTA-OUYXZZOESA-N 1 0 322.380 3.212 20 5 DGBDRO C[C@H]([NH2+][C@H](CO)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000903289746 619755144 /nfs/dbraw/zinc/75/51/44/619755144.db2.gz NVLYDSLNZAYZMX-YOEHRIQHSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000903310982 619757460 /nfs/dbraw/zinc/75/74/60/619757460.db2.gz PQYDXZUKBGOMMR-PXAZEXFGSA-N 1 0 318.348 3.292 20 5 DGBDRO CC[C@H]([NH2+]C[C@@]1(OC)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000903311207 619757779 /nfs/dbraw/zinc/75/77/79/619757779.db2.gz QGOOFROUKWJDPT-GJZGRUSLSA-N 1 0 310.419 3.158 20 5 DGBDRO CCC[C@@H]([NH2+][C@H]1CCCN(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000903393276 619767109 /nfs/dbraw/zinc/76/71/09/619767109.db2.gz JWIQQEGYECDWIR-CVEARBPZSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(CCO)cc2)cccc1[N+](=O)[O-] ZINC000903395756 619767317 /nfs/dbraw/zinc/76/73/17/619767317.db2.gz GIGKZMMLWSMXPF-CQSZACIVSA-N 1 0 314.385 3.289 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2COC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000903435371 619775214 /nfs/dbraw/zinc/77/52/14/619775214.db2.gz DFYSNHJKTHPUHF-GLQYFDAESA-N 1 0 320.389 3.069 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000841087102 620230708 /nfs/dbraw/zinc/23/07/08/620230708.db2.gz MQDLIOPHRHYGJP-UKRRQHHQSA-N 1 0 323.824 3.212 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2nccc3c2CCCC3)c1 ZINC000921940684 620971310 /nfs/dbraw/zinc/97/13/10/620971310.db2.gz UYWRPDJHHXHDFY-UHFFFAOYSA-N 1 0 311.385 3.201 20 5 DGBDRO COc1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000922585299 621062061 /nfs/dbraw/zinc/06/20/61/621062061.db2.gz DYKYCTWYTMSJDJ-KRWDZBQOSA-N 1 0 313.357 3.239 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922676546 621079424 /nfs/dbraw/zinc/07/94/24/621079424.db2.gz AXUBXKCYCUQFHI-WCQYABFASA-N 1 0 318.295 3.184 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922720308 621090134 /nfs/dbraw/zinc/09/01/34/621090134.db2.gz TUVYYYJVCPZHNT-ANUXILCZSA-N 1 0 314.385 3.179 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000923027810 621147788 /nfs/dbraw/zinc/14/77/88/621147788.db2.gz OUUUVYGZABAEBW-WRLNGNIRSA-N 1 0 302.374 3.299 20 5 DGBDRO COC(=O)CC1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000858421294 621188604 /nfs/dbraw/zinc/18/86/04/621188604.db2.gz TXOXUGOQHVSXIT-OPFPJEHXSA-N 1 0 320.389 3.367 20 5 DGBDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000858503868 621199017 /nfs/dbraw/zinc/19/90/17/621199017.db2.gz HMKWIKATXBXZIJ-GOEBONIOSA-N 1 0 318.373 3.287 20 5 DGBDRO CC1(C)CCC[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000859618374 621299463 /nfs/dbraw/zinc/29/94/63/621299463.db2.gz QZRMGECHKJJFFI-INIZCTEOSA-N 1 0 310.369 3.155 20 5 DGBDRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839132399 621338823 /nfs/dbraw/zinc/33/88/23/621338823.db2.gz OUUUJFQVQJOGBM-UHFFFAOYSA-N 1 0 320.368 3.126 20 5 DGBDRO Cc1cc(F)ccc1C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000753787492 621465397 /nfs/dbraw/zinc/46/53/97/621465397.db2.gz WSUCBAUNAALGHO-QGZVFWFLSA-N 1 0 318.348 3.208 20 5 DGBDRO Cc1cc(C)cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000754250994 621499340 /nfs/dbraw/zinc/49/93/40/621499340.db2.gz OTCFJPKZSGCHKT-KRWDZBQOSA-N 1 0 300.358 3.035 20 5 DGBDRO C[C@@H]([NH2+]C1(C2CC2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000754359814 621505529 /nfs/dbraw/zinc/50/55/29/621505529.db2.gz ZZKPGXYECZSXEO-SECBINFHSA-N 1 0 323.780 3.107 20 5 DGBDRO CC(C)CC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862481096 621593593 /nfs/dbraw/zinc/59/35/93/621593593.db2.gz RJPWSQDBZUZYGH-GFCCVEGCSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000755921592 621603309 /nfs/dbraw/zinc/60/33/09/621603309.db2.gz SHHNAQFIDLDSIM-HNNXBMFYSA-N 1 0 303.406 3.071 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000120273480 621823250 /nfs/dbraw/zinc/82/32/50/621823250.db2.gz GFKLWXHBYLQRDF-OAHLLOKOSA-N 1 0 322.368 3.392 20 5 DGBDRO Cc1ccc(C)c(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000759644541 621879115 /nfs/dbraw/zinc/87/91/15/621879115.db2.gz NKLHVPFGPSPXOC-GOSISDBHSA-N 1 0 314.385 3.377 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865487198 621933930 /nfs/dbraw/zinc/93/39/30/621933930.db2.gz BGLWVNPPJQWEAG-LLVKDONJSA-N 1 0 313.348 3.499 20 5 DGBDRO COc1cncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000865581509 621956030 /nfs/dbraw/zinc/95/60/30/621956030.db2.gz OYNAVRFTFDISPW-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC3)CC2)c(C(F)F)c1 ZINC000865625791 621965063 /nfs/dbraw/zinc/96/50/63/621965063.db2.gz ZTBMJJYHPRUNGH-UHFFFAOYSA-N 1 0 311.332 3.253 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865778400 621993771 /nfs/dbraw/zinc/99/37/71/621993771.db2.gz JFZJZKWCIYFLGU-WMHVBEDNSA-N 1 0 316.401 3.404 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2c3ccccc3CN2C)cc1[N+](=O)[O-] ZINC000865806590 621998356 /nfs/dbraw/zinc/99/83/56/621998356.db2.gz LCHNKXLVJAAQGI-SFHVURJKSA-N 1 0 311.385 3.180 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2c3ccccc3CN2C)cc1[N+](=O)[O-] ZINC000865806589 621998481 /nfs/dbraw/zinc/99/84/81/621998481.db2.gz LCHNKXLVJAAQGI-GOSISDBHSA-N 1 0 311.385 3.180 20 5 DGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761290341 621999738 /nfs/dbraw/zinc/99/97/38/621999738.db2.gz IDOOPVHMBGARBI-AAEUAGOBSA-N 1 0 302.378 3.331 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000761507817 622013642 /nfs/dbraw/zinc/01/36/42/622013642.db2.gz YBRISPHPDBKFHG-AWEZNQCLSA-N 1 0 323.824 3.308 20 5 DGBDRO CC(C)(C)C[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761512820 622013687 /nfs/dbraw/zinc/01/36/87/622013687.db2.gz XTCPKUZGHCAPML-UHFFFAOYSA-N 1 0 300.786 3.089 20 5 DGBDRO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000761512364 622013870 /nfs/dbraw/zinc/01/38/70/622013870.db2.gz RKMYJJYBFYKBLU-UHFFFAOYSA-N 1 0 314.769 3.022 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000761516155 622014128 /nfs/dbraw/zinc/01/41/28/622014128.db2.gz ZBOJYWVEZLAQPE-ZIAGYGMSSA-N 1 0 324.808 3.497 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccccc2)cc1Cl ZINC000761528034 622014854 /nfs/dbraw/zinc/01/48/54/622014854.db2.gz XOSKOCOAMAREJK-OAHLLOKOSA-N 1 0 320.776 3.462 20 5 DGBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000866060921 622039683 /nfs/dbraw/zinc/03/96/83/622039683.db2.gz LWKSTSDTAGOAOH-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000762137959 622056721 /nfs/dbraw/zinc/05/67/21/622056721.db2.gz AGXATRWEKUQZMK-LBPRGKRZSA-N 1 0 300.362 3.167 20 5 DGBDRO C[N@@H+]1CC[C@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866206237 622066011 /nfs/dbraw/zinc/06/60/11/622066011.db2.gz CSQIRPRLJAKIEP-NWDGAFQWSA-N 1 0 311.332 3.063 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)CC(C)(C)C ZINC000866270426 622081147 /nfs/dbraw/zinc/08/11/47/622081147.db2.gz XQQJJHUXKUWNGQ-SMDDNHRTSA-N 1 0 312.385 3.052 20 5 DGBDRO CCC1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000866277246 622083317 /nfs/dbraw/zinc/08/33/17/622083317.db2.gz LBMAYGHRZGOOCU-CYBMUJFWSA-N 1 0 324.396 3.461 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000866277226 622083440 /nfs/dbraw/zinc/08/34/40/622083440.db2.gz KRFSDEWUXJLOMK-BLLLJJGKSA-N 1 0 324.396 3.460 20 5 DGBDRO CC(C)OCCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866337255 622096692 /nfs/dbraw/zinc/09/66/92/622096692.db2.gz WCIWUVUHFLTCEN-CYBMUJFWSA-N 1 0 312.385 3.460 20 5 DGBDRO Cc1nnc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866338192 622096970 /nfs/dbraw/zinc/09/69/70/622096970.db2.gz PEZDSUQZUVUPSO-DTWKUNHWSA-N 1 0 324.381 3.176 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccsc1 ZINC000866342639 622098225 /nfs/dbraw/zinc/09/82/25/622098225.db2.gz XVYKPLUREQUCOF-YGRLFVJLSA-N 1 0 324.377 3.050 20 5 DGBDRO CC(C)SCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866355770 622101928 /nfs/dbraw/zinc/10/19/28/622101928.db2.gz DGXZHVYWDQBRLP-NSHDSACASA-N 1 0 300.399 3.396 20 5 DGBDRO CO[C@](C)(C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866365597 622104164 /nfs/dbraw/zinc/10/41/64/622104164.db2.gz UFJADVSFZBEROS-MEDUHNTESA-N 1 0 310.369 3.070 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000866371449 622105145 /nfs/dbraw/zinc/10/51/45/622105145.db2.gz MJNNLUAZCNOKNB-NWDGAFQWSA-N 1 0 320.368 3.232 20 5 DGBDRO C[C@H](COCC1CC1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866383463 622107581 /nfs/dbraw/zinc/10/75/81/622107581.db2.gz MNZODMMKWFKJFP-NWDGAFQWSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CC1(F)F ZINC000866393670 622109826 /nfs/dbraw/zinc/10/98/26/622109826.db2.gz QVTYBZBAMFDREJ-MWLCHTKSSA-N 1 0 302.296 3.300 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CC1(F)F ZINC000866393671 622109947 /nfs/dbraw/zinc/10/99/47/622109947.db2.gz QVTYBZBAMFDREJ-ONGXEEELSA-N 1 0 302.296 3.300 20 5 DGBDRO Cc1ncccc1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866398735 622111044 /nfs/dbraw/zinc/11/10/44/622111044.db2.gz PRZBJBQKJCVHKZ-NSHDSACASA-N 1 0 303.337 3.158 20 5 DGBDRO CC[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cccc([N+](=O)[O-])c1 ZINC000866449170 622120592 /nfs/dbraw/zinc/12/05/92/622120592.db2.gz ZDNJPAJBDYPEQM-CFAIKTRFSA-N 1 0 302.374 3.059 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]2CCCS2)n1 ZINC000866480507 622124981 /nfs/dbraw/zinc/12/49/81/622124981.db2.gz IPZJWLAOPKLPKU-BFHYXJOUSA-N 1 0 324.450 3.150 20 5 DGBDRO COC(C)(C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000866504304 622128509 /nfs/dbraw/zinc/12/85/09/622128509.db2.gz DLRJCMVQWUHWQO-OAHLLOKOSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866512713 622130230 /nfs/dbraw/zinc/13/02/30/622130230.db2.gz NYIYPJAYPOQDHH-FABXCBLPSA-N 1 0 319.405 3.033 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866529657 622132219 /nfs/dbraw/zinc/13/22/19/622132219.db2.gz IANZAAGLLDEHEZ-CZUORRHYSA-N 1 0 316.401 3.379 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000866538090 622134767 /nfs/dbraw/zinc/13/47/67/622134767.db2.gz SZOVSQUIISDRMV-NUTKFTJISA-N 1 0 304.390 3.308 20 5 DGBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000866540208 622134936 /nfs/dbraw/zinc/13/49/36/622134936.db2.gz KZWPENPLWKNFCV-GEEKYZPCSA-N 1 0 304.390 3.196 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000866538789 622135084 /nfs/dbraw/zinc/13/50/84/622135084.db2.gz ZXVIXGJZJKGDEU-PVUWLOKVSA-N 1 0 304.390 3.308 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccnn1C ZINC000866612121 622146645 /nfs/dbraw/zinc/14/66/45/622146645.db2.gz CLJHCFVIJSPBNP-OLZOCXBDSA-N 1 0 302.378 3.000 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000866613005 622147294 /nfs/dbraw/zinc/14/72/94/622147294.db2.gz DGKNMSZOIFHWCY-NEPJUHHUSA-N 1 0 318.377 3.139 20 5 DGBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000763525421 622149982 /nfs/dbraw/zinc/14/99/82/622149982.db2.gz PIOBLWIVAMVUDJ-JVZFRSLZSA-N 1 0 316.357 3.303 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000763620204 622155335 /nfs/dbraw/zinc/15/53/35/622155335.db2.gz RPOKPQKOJUBXHH-CYBMUJFWSA-N 1 0 311.813 3.164 20 5 DGBDRO CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000764900580 622231311 /nfs/dbraw/zinc/23/13/11/622231311.db2.gz FKCFAUDCOKOVCQ-UHFFFAOYSA-N 1 0 302.378 3.475 20 5 DGBDRO CC[C@@]1(C)CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765076463 622244092 /nfs/dbraw/zinc/24/40/92/622244092.db2.gz YTTDGYYJTDSFEV-INIZCTEOSA-N 1 0 302.378 3.332 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1OC ZINC000765263298 622255401 /nfs/dbraw/zinc/25/54/01/622255401.db2.gz UIUYISWBIQSYAV-HZPDHXFCSA-N 1 0 322.405 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CSc3ccccc32)cc1 ZINC000765849363 622291293 /nfs/dbraw/zinc/29/12/93/622291293.db2.gz PLYZLWYGNWOYTR-LSDHHAIUSA-N 1 0 316.382 3.065 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC(F)(F)F)CC2)cc1 ZINC000766530566 622337189 /nfs/dbraw/zinc/33/71/89/622337189.db2.gz VCSIRTAMVOKARS-UHFFFAOYSA-N 1 0 317.311 3.106 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C2CCC(C)(O)CC2)cc1[N+](=O)[O-] ZINC000768107078 622438661 /nfs/dbraw/zinc/43/86/61/622438661.db2.gz LMTRIGUNYBCXPD-MKQDKFQKSA-N 1 0 322.405 3.338 20 5 DGBDRO CC(C)[N@@H+]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000768542759 622463858 /nfs/dbraw/zinc/46/38/58/622463858.db2.gz YYDKYXPGTOYXDX-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(NCC2CC[NH+](C3CC3)CC2)c1 ZINC000770178743 622609456 /nfs/dbraw/zinc/60/94/56/622609456.db2.gz LQAAZQSBWNTGDC-UHFFFAOYSA-N 1 0 323.368 3.029 20 5 DGBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC[NH+]1CCCCC1 ZINC000770413142 622631619 /nfs/dbraw/zinc/63/16/19/622631619.db2.gz XOSQVJQZSPSNMW-YPKPFQOOSA-N 1 0 318.373 3.027 20 5 DGBDRO CC[C@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000872019912 622755326 /nfs/dbraw/zinc/75/53/26/622755326.db2.gz BRBRDXHEKKWNDI-CHWSQXEVSA-N 1 0 309.385 3.259 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872026401 622760080 /nfs/dbraw/zinc/76/00/80/622760080.db2.gz AFPSFFZGOFXXDP-LLVKDONJSA-N 1 0 304.321 3.333 20 5 DGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872032664 622763774 /nfs/dbraw/zinc/76/37/74/622763774.db2.gz XONMARZHAWHQKJ-VXGBXAGGSA-N 1 0 320.368 3.226 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@](C)(O)C1CC1 ZINC000872036054 622766879 /nfs/dbraw/zinc/76/68/79/622766879.db2.gz PLZYJGZYKALSNF-MEBBXXQBSA-N 1 0 310.419 3.128 20 5 DGBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000872038618 622767746 /nfs/dbraw/zinc/76/77/46/622767746.db2.gz NJTSFFUXRBNTEA-ZBFHGGJFSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038966 622768044 /nfs/dbraw/zinc/76/80/44/622768044.db2.gz QARVJTRWGANXKD-MEBBXXQBSA-N 1 0 324.377 3.354 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000872040044 622769000 /nfs/dbraw/zinc/76/90/00/622769000.db2.gz WLHBTXPZJSWRLH-GRYCIOLGSA-N 1 0 310.419 3.392 20 5 DGBDRO C[C@H]([NH2+]CC1(CCO)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040871 622769445 /nfs/dbraw/zinc/76/94/45/622769445.db2.gz NWAWBYGBFCYVCB-LBPRGKRZSA-N 1 0 310.369 3.327 20 5 DGBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000872044873 622771273 /nfs/dbraw/zinc/77/12/73/622771273.db2.gz GUDJIDSOGMQDGY-CZUORRHYSA-N 1 0 322.405 3.157 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)CC1CC1 ZINC000872053652 622777839 /nfs/dbraw/zinc/77/78/39/622777839.db2.gz YWSPOGMIUJLQBX-JQWIXIFHSA-N 1 0 310.419 3.128 20 5 DGBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872063439 622783894 /nfs/dbraw/zinc/78/38/94/622783894.db2.gz PRPQXUVCYINXBH-KBIXYVOKSA-N 1 0 310.419 3.294 20 5 DGBDRO C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087886 622798149 /nfs/dbraw/zinc/79/81/49/622798149.db2.gz LQOFNDHOBAAIAR-OLZOCXBDSA-N 1 0 309.385 3.116 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000872091627 622799921 /nfs/dbraw/zinc/79/99/21/622799921.db2.gz XZOBBXGZTDXWHZ-JTQLQIEISA-N 1 0 319.386 3.268 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000872105253 622807620 /nfs/dbraw/zinc/80/76/20/622807620.db2.gz FEJXVGOEPFIIGZ-WCQYABFASA-N 1 0 308.378 3.069 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872107652 622809904 /nfs/dbraw/zinc/80/99/04/622809904.db2.gz OAAONKBXJWSUHR-WXRXAMBDSA-N 1 0 302.374 3.129 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872108866 622810564 /nfs/dbraw/zinc/81/05/64/622810564.db2.gz YQJRPTUKJJJHMO-JSHWQEIDSA-N 1 0 322.380 3.212 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872313249 622889339 /nfs/dbraw/zinc/88/93/39/622889339.db2.gz RIVBTUUGRPDUQQ-SJORKVTESA-N 1 0 320.389 3.183 20 5 DGBDRO Cc1ccnc(N2CCC(C)([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000872666272 622950230 /nfs/dbraw/zinc/95/02/30/622950230.db2.gz XUBSNYQNSGUSBO-UHFFFAOYSA-N 1 0 318.421 3.143 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)C1CC1 ZINC000773011972 622965858 /nfs/dbraw/zinc/96/58/58/622965858.db2.gz JTKBICCFNYNZRJ-KGLIPLIRSA-N 1 0 324.446 3.216 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(F)n1 ZINC000773091420 622982622 /nfs/dbraw/zinc/98/26/22/622982622.db2.gz XFFXJQKVSUFIRB-LBPRGKRZSA-N 1 0 303.337 3.240 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000873024387 623020372 /nfs/dbraw/zinc/02/03/72/623020372.db2.gz PZMYMVNSNVHRPY-QGZVFWFLSA-N 1 0 318.348 3.174 20 5 DGBDRO CCc1nc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000873036537 623023244 /nfs/dbraw/zinc/02/32/44/623023244.db2.gz YPFISXSDRKVTHI-UHFFFAOYSA-N 1 0 305.403 3.254 20 5 DGBDRO CCc1cnc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000873063885 623028852 /nfs/dbraw/zinc/02/88/52/623028852.db2.gz HYRBGPXXYICKMH-UHFFFAOYSA-N 1 0 305.403 3.254 20 5 DGBDRO Cc1c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873098111 623036101 /nfs/dbraw/zinc/03/61/01/623036101.db2.gz KRVPJDNYCYIFEX-KRWDZBQOSA-N 1 0 318.348 3.040 20 5 DGBDRO Cc1c(C[NH2+]CC[C@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873110512 623036910 /nfs/dbraw/zinc/03/69/10/623036910.db2.gz QVJZCQYFABNOQS-SFHVURJKSA-N 1 0 314.385 3.291 20 5 DGBDRO Cc1c(C[NH2+]CC2([C@H](C)CCO)CCC2)cccc1[N+](=O)[O-] ZINC000873101131 623037289 /nfs/dbraw/zinc/03/72/89/623037289.db2.gz PMDOXMWRWFRJKX-CYBMUJFWSA-N 1 0 306.406 3.182 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000873131922 623043865 /nfs/dbraw/zinc/04/38/65/623043865.db2.gz ZTPJLGNZKMBPLT-WMZOPIPTSA-N 1 0 318.417 3.098 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)CC1(C)OCCO1 ZINC000873145503 623048953 /nfs/dbraw/zinc/04/89/53/623048953.db2.gz DWIHXERGJKLSCC-GFCCVEGCSA-N 1 0 322.405 3.090 20 5 DGBDRO Cc1c(C[NH2+]Cc2cccc3c2CCOC3)cccc1[N+](=O)[O-] ZINC000873149271 623049886 /nfs/dbraw/zinc/04/98/86/623049886.db2.gz BAQITALEEXCGHT-UHFFFAOYSA-N 1 0 312.369 3.266 20 5 DGBDRO Cc1c(C[NH2+]C2([C@H]3CCCCO3)CCC2)cccc1[N+](=O)[O-] ZINC000873152488 623051027 /nfs/dbraw/zinc/05/10/27/623051027.db2.gz QNZWISHVGQMBIC-MRXNPFEDSA-N 1 0 304.390 3.485 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000129438002 625627555 /nfs/dbraw/zinc/62/75/55/625627555.db2.gz XQYVEOPAFQXEHC-INIZCTEOSA-N 1 0 306.406 3.324 20 5 DGBDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775098489 623230677 /nfs/dbraw/zinc/23/06/77/623230677.db2.gz WMEBRWZONPAKNJ-GFCCVEGCSA-N 1 0 307.350 3.371 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc2nsnc21)c1cccc([N+](=O)[O-])c1 ZINC000775193097 623240257 /nfs/dbraw/zinc/24/02/57/623240257.db2.gz KKHZEAHUIWTGJD-SNVBAGLBSA-N 1 0 314.370 3.450 20 5 DGBDRO CCc1ccc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776271315 623404989 /nfs/dbraw/zinc/40/49/89/623404989.db2.gz KKRTZCWVHYELOU-SFHVURJKSA-N 1 0 314.385 3.323 20 5 DGBDRO C[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271630 623405120 /nfs/dbraw/zinc/40/51/20/623405120.db2.gz MNSYQZAOVPQIBT-INIZCTEOSA-N 1 0 320.776 3.414 20 5 DGBDRO C[C@H](c1cccs1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278582 623405859 /nfs/dbraw/zinc/40/58/59/623405859.db2.gz RJVVBXXCZBVMAI-BXUZGUMPSA-N 1 0 306.387 3.383 20 5 DGBDRO CC(C)C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278461 623406098 /nfs/dbraw/zinc/40/60/98/623406098.db2.gz SYGUKXUQQPKREA-YOEHRIQHSA-N 1 0 306.406 3.386 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC000776499984 623436301 /nfs/dbraw/zinc/43/63/01/623436301.db2.gz ZXLXBAMRSRXSAK-BIGNPOOSSA-N 1 0 312.797 3.397 20 5 DGBDRO CCSCC[C@@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590066 623444366 /nfs/dbraw/zinc/44/43/66/623444366.db2.gz BAYKZRFVNGSTEF-DOMZBBRYSA-N 1 0 312.435 3.092 20 5 DGBDRO CC(C)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000776593995 623445420 /nfs/dbraw/zinc/44/54/20/623445420.db2.gz ZYEZPLWREFRHKM-INIZCTEOSA-N 1 0 318.348 3.292 20 5 DGBDRO C[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CCCC1 ZINC000777950919 623589204 /nfs/dbraw/zinc/58/92/04/623589204.db2.gz LCWHDAOPEVIMRB-UHFFFAOYSA-N 1 0 300.362 3.290 20 5 DGBDRO CC(C)[C@H](C)[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955438 623589660 /nfs/dbraw/zinc/58/96/60/623589660.db2.gz RMTSZFXUBYVRDV-ZDUSSCGKSA-N 1 0 302.378 3.392 20 5 DGBDRO CC(C)[C@@H](C)[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955437 623589723 /nfs/dbraw/zinc/58/97/23/623589723.db2.gz RMTSZFXUBYVRDV-CYBMUJFWSA-N 1 0 302.378 3.392 20 5 DGBDRO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778426782 623656022 /nfs/dbraw/zinc/65/60/22/623656022.db2.gz BQBLEDCVTXGQHF-ABAIWWIYSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000876759303 623699322 /nfs/dbraw/zinc/69/93/22/623699322.db2.gz ONIYRXMHFCLLMN-INIZCTEOSA-N 1 0 317.433 3.129 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCC1CCOCC1 ZINC000876759767 623700218 /nfs/dbraw/zinc/70/02/18/623700218.db2.gz MGVCOCVIBRRKKW-UHFFFAOYSA-N 1 0 306.406 3.460 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000876780635 623705420 /nfs/dbraw/zinc/70/54/20/623705420.db2.gz XKHLXDMLIIMUDE-INIZCTEOSA-N 1 0 318.417 3.460 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](c3ccccc3)C3CC3)C2)c1 ZINC000876906797 623741227 /nfs/dbraw/zinc/74/12/27/623741227.db2.gz IHKNLCVOBLPTQB-DQPZFDDXSA-N 1 0 312.373 3.236 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000876947403 623751920 /nfs/dbraw/zinc/75/19/20/623751920.db2.gz GEBMNFBVUCRAMO-LRVUVFPRSA-N 1 0 300.362 3.154 20 5 DGBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877004784 623764607 /nfs/dbraw/zinc/76/46/07/623764607.db2.gz RODQJGPQNIDAJD-USPMSXPRSA-N 1 0 306.410 3.443 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH2+]C1CC(n3cc([N+](=O)[O-])cn3)C1)CC2 ZINC000877015633 623766372 /nfs/dbraw/zinc/76/63/72/623766372.db2.gz XMYZLQYHVGXYGH-MQBCKMQZSA-N 1 0 312.373 3.080 20 5 DGBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877080706 623786761 /nfs/dbraw/zinc/78/67/61/623786761.db2.gz NCGWPRATTOZGLF-VRLRAXNCSA-N 1 0 314.389 3.277 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCc4sccc43)C2)c1 ZINC000877388353 623865392 /nfs/dbraw/zinc/86/53/92/623865392.db2.gz YPIJIRIIBONUJP-MGULZYLOSA-N 1 0 318.402 3.224 20 5 DGBDRO CC(C)c1ccc(C(=O)N(C)CCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000877439188 623882144 /nfs/dbraw/zinc/88/21/44/623882144.db2.gz XVYWTGVRQGROCG-UHFFFAOYSA-N 1 0 321.421 3.309 20 5 DGBDRO CC1CCC(C)(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877491012 623909152 /nfs/dbraw/zinc/90/91/52/623909152.db2.gz MCBLHESEOSRTTQ-UHFFFAOYSA-N 1 0 306.410 3.301 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000877507551 623916176 /nfs/dbraw/zinc/91/61/76/623916176.db2.gz PECBBRQJXSCPKQ-SJORKVTESA-N 1 0 304.390 3.355 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000877573462 623948532 /nfs/dbraw/zinc/94/85/32/623948532.db2.gz RKWLYWRVUQCKHD-AWEZNQCLSA-N 1 0 306.406 3.195 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000877641859 623974410 /nfs/dbraw/zinc/97/44/10/623974410.db2.gz CJSXDSFKGIXSQV-KDOFPFPSSA-N 1 0 314.385 3.423 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C)C(C)(C)CC1 ZINC000877701696 623997801 /nfs/dbraw/zinc/99/78/01/623997801.db2.gz VASUHUVIQVBUNR-NTCAYCPXSA-N 1 0 317.433 3.414 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000877739600 624012382 /nfs/dbraw/zinc/01/23/82/624012382.db2.gz ORAKWRIHMJTAIC-ZYHUDNBSSA-N 1 0 312.822 3.433 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877744541 624016259 /nfs/dbraw/zinc/01/62/59/624016259.db2.gz VGNXRXIQKBSHNH-RDJZCZTQSA-N 1 0 317.433 3.244 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000877753914 624019949 /nfs/dbraw/zinc/01/99/49/624019949.db2.gz OWMNCCMSOQIIDP-SDNWHVSQSA-N 1 0 318.417 3.481 20 5 DGBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000877832192 624061850 /nfs/dbraw/zinc/06/18/50/624061850.db2.gz HVZHIYMNZOJVBJ-MSOLQXFVSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@H]1CCCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878106026 624171117 /nfs/dbraw/zinc/17/11/17/624171117.db2.gz KCWWTDZQTGXKCB-LBPRGKRZSA-N 1 0 316.361 3.409 20 5 DGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878154235 624192141 /nfs/dbraw/zinc/19/21/41/624192141.db2.gz WNIDEVNYBZDEGU-NWDGAFQWSA-N 1 0 316.361 3.265 20 5 DGBDRO CC[C@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000878362649 624256872 /nfs/dbraw/zinc/25/68/72/624256872.db2.gz YXYKYRKOZGVMAE-INIZCTEOSA-N 1 0 302.378 3.015 20 5 DGBDRO C[C@@H]1C[C@H](C)N1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878532551 624300247 /nfs/dbraw/zinc/30/02/47/624300247.db2.gz FUFNPUHXSNJIOA-DTORHVGOSA-N 1 0 322.752 3.281 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000783309414 624337416 /nfs/dbraw/zinc/33/74/16/624337416.db2.gz IQMBWXFDQAOZNO-OCCSQVGLSA-N 1 0 306.362 3.337 20 5 DGBDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783596344 624372535 /nfs/dbraw/zinc/37/25/35/624372535.db2.gz KBBVPHRRHDPLTI-CYBMUJFWSA-N 1 0 320.780 3.149 20 5 DGBDRO C[C@@H](CO)[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000805751341 624391786 /nfs/dbraw/zinc/39/17/86/624391786.db2.gz HNKMXVHNPVDXAC-NSHDSACASA-N 1 0 312.797 3.374 20 5 DGBDRO C[N@H+](C[C@@H]1CC=CCC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000784013759 624421225 /nfs/dbraw/zinc/42/12/25/624421225.db2.gz LASFTTIJWOMWNB-CYBMUJFWSA-N 1 0 300.362 3.190 20 5 DGBDRO Cc1nn(C[N@@H+]2CC[C@H](c3cccc(C)c3)C2)c(C)c1[N+](=O)[O-] ZINC000784026357 624424398 /nfs/dbraw/zinc/42/43/98/624424398.db2.gz SBNUPTSXWBJVRY-INIZCTEOSA-N 1 0 314.389 3.164 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000879242294 624459242 /nfs/dbraw/zinc/45/92/42/624459242.db2.gz YOOSHQRYPANVDM-ZWKOTPCHSA-N 1 0 312.369 3.293 20 5 DGBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@]12C[C@@H]1CCCC2 ZINC000879263013 624470318 /nfs/dbraw/zinc/47/03/18/624470318.db2.gz HFJVAEWRJFIQTE-GDZNZVCISA-N 1 0 317.389 3.092 20 5 DGBDRO CCOc1cc(C[NH2+]C(C)(C)[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000879407004 624535163 /nfs/dbraw/zinc/53/51/63/624535163.db2.gz SIFQIFNQTWEWMW-MRXNPFEDSA-N 1 0 322.405 3.431 20 5 DGBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000879962021 624737311 /nfs/dbraw/zinc/73/73/11/624737311.db2.gz LIWCTCPROKBIJL-LBPRGKRZSA-N 1 0 312.797 3.231 20 5 DGBDRO C[NH+](C)CCc1ccc(CNc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000786077192 624791270 /nfs/dbraw/zinc/79/12/70/624791270.db2.gz FKLGEAIGEBWKRO-UHFFFAOYSA-N 1 0 317.364 3.450 20 5 DGBDRO CO[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000786810862 624955311 /nfs/dbraw/zinc/95/53/11/624955311.db2.gz BLRFOARIOTWQDZ-AGEOTTOMSA-N 1 0 318.295 3.165 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)c1ccc(C)o1 ZINC000786810896 624955386 /nfs/dbraw/zinc/95/53/86/624955386.db2.gz BSDGTRZWOXTDDA-IYCSXQJISA-N 1 0 316.357 3.223 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)c1ccsc1 ZINC000786813864 624956181 /nfs/dbraw/zinc/95/61/81/624956181.db2.gz NGTCQUAEOWGULN-MZTACXPWSA-N 1 0 318.398 3.383 20 5 DGBDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788666187 625239015 /nfs/dbraw/zinc/23/90/15/625239015.db2.gz QPMJSWBIIPVNIF-DXCKQFNASA-N 1 0 321.421 3.279 20 5 DGBDRO C[C@H](CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000788739709 625255596 /nfs/dbraw/zinc/25/55/96/625255596.db2.gz NUEVGCVJZKUMRS-KGLIPLIRSA-N 1 0 320.437 3.092 20 5 DGBDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000796485938 626055784 /nfs/dbraw/zinc/05/57/84/626055784.db2.gz PCGVRICDIDYGJU-GUYCJALGSA-N 1 0 300.358 3.115 20 5 DGBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801519473 626407447 /nfs/dbraw/zinc/40/74/47/626407447.db2.gz OWIMEYUYAJTJGY-HOCLYGCPSA-N 1 0 310.369 3.369 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1c(C)nn(C)c1C ZINC000801539169 626408954 /nfs/dbraw/zinc/40/89/54/626408954.db2.gz CKOCLCSZWATNTO-AWEZNQCLSA-N 1 0 320.368 3.325 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000883273841 626631431 /nfs/dbraw/zinc/63/14/31/626631431.db2.gz TVOWTTWJSJODQI-NQBHXWOUSA-N 1 0 310.419 3.392 20 5 DGBDRO C[C@@H](OC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000803854847 626644111 /nfs/dbraw/zinc/64/41/11/626644111.db2.gz BITLOWCSQNNXIY-KGLIPLIRSA-N 1 0 320.389 3.464 20 5 DGBDRO Cc1c(COC(=O)CC[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000803856116 626644504 /nfs/dbraw/zinc/64/45/04/626644504.db2.gz OOOWROYLGANKDR-HNNXBMFYSA-N 1 0 320.389 3.211 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000883319247 626645149 /nfs/dbraw/zinc/64/51/49/626645149.db2.gz UWXYEPWEXSRPFR-FPMFFAJLSA-N 1 0 320.389 3.280 20 5 DGBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883352693 626657141 /nfs/dbraw/zinc/65/71/41/626657141.db2.gz GNGKPDYFXMJLOY-RQTGCPSESA-N 1 0 304.390 3.403 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883357792 626659747 /nfs/dbraw/zinc/65/97/47/626659747.db2.gz UHYCAHLDGJKDOY-SWLSCSKDSA-N 1 0 302.374 3.273 20 5 DGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804318737 626668335 /nfs/dbraw/zinc/66/83/35/626668335.db2.gz BNECOQBKCCKXMT-GFCCVEGCSA-N 1 0 324.381 3.425 20 5 DGBDRO CC(C)CC[NH+]1CCC(CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804539218 626691606 /nfs/dbraw/zinc/69/16/06/626691606.db2.gz YZVXFCJJTMIVPN-UHFFFAOYSA-N 1 0 320.437 3.347 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)C[NH+]1CCCCC1 ZINC000807931220 626778422 /nfs/dbraw/zinc/77/84/22/626778422.db2.gz OHVVJEMMPOUTBB-ZDUSSCGKSA-N 1 0 319.405 3.331 20 5 DGBDRO CC(C)c1ncc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000809734518 626942850 /nfs/dbraw/zinc/94/28/50/626942850.db2.gz JBJASOVVENRYGM-UHFFFAOYSA-N 1 0 320.418 3.140 20 5 DGBDRO [NH3+]CCN(Cc1cccc2cc[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000809734653 626943569 /nfs/dbraw/zinc/94/35/69/626943569.db2.gz JJFQMKZLMIHUBZ-UHFFFAOYSA-N 1 0 310.357 3.041 20 5 DGBDRO CCCN(CCC[NH+](C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000809757905 626948115 /nfs/dbraw/zinc/94/81/15/626948115.db2.gz ZTOBTISFXJJMJK-UHFFFAOYSA-N 1 0 313.829 3.412 20 5 DGBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809757622 626948158 /nfs/dbraw/zinc/94/81/58/626948158.db2.gz QCFLIBGIJQQEJQ-HNNXBMFYSA-N 1 0 312.797 3.375 20 5 DGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767512 626949089 /nfs/dbraw/zinc/94/90/89/626949089.db2.gz NDUYGPDBLGRYNB-UKRRQHHQSA-N 1 0 323.824 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CC(C(F)F)C3)c2c1 ZINC000809792083 626954515 /nfs/dbraw/zinc/95/45/15/626954515.db2.gz HDNPTHICDQFCGY-UHFFFAOYSA-N 1 0 309.316 3.252 20 5 DGBDRO CN(Cc1ccc(OC(F)F)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885931426 627062765 /nfs/dbraw/zinc/06/27/65/627062765.db2.gz UPINAUPRAUBHRH-UHFFFAOYSA-N 1 0 323.299 3.223 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](OC)CC2)cc1[N+](=O)[O-] ZINC000885951930 627067655 /nfs/dbraw/zinc/06/76/55/627067655.db2.gz RXIPOSZKIUERLY-UONOGXRCSA-N 1 0 308.378 3.041 20 5 DGBDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886024069 627087111 /nfs/dbraw/zinc/08/71/11/627087111.db2.gz YGCYHHPCANTOSX-ZDUSSCGKSA-N 1 0 315.373 3.061 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C12CCCCC2 ZINC000886171722 627116898 /nfs/dbraw/zinc/11/68/98/627116898.db2.gz MRJHSXQXPQCXLM-HUUCEWRRSA-N 1 0 319.405 3.207 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@H](C2CC2)O1 ZINC000886201418 627120343 /nfs/dbraw/zinc/12/03/43/627120343.db2.gz DLJWKPKHRZQDSB-NVXWUHKLSA-N 1 0 304.390 3.027 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886289459 627132327 /nfs/dbraw/zinc/13/23/27/627132327.db2.gz WBISTOMBHPMVLO-OAHLLOKOSA-N 1 0 320.389 3.042 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC2(CCSCC2)CC1 ZINC000886305246 627133797 /nfs/dbraw/zinc/13/37/97/627133797.db2.gz BMRHXHBYJIXPSP-UHFFFAOYSA-N 1 0 307.419 3.099 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC2(CCC2)C1 ZINC000886345408 627140784 /nfs/dbraw/zinc/14/07/84/627140784.db2.gz ZNKGTKCZTRKDIQ-MRXNPFEDSA-N 1 0 304.390 3.424 20 5 DGBDRO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000886432515 627148246 /nfs/dbraw/zinc/14/82/46/627148246.db2.gz ZRMPDYSDZWWCEQ-QGZVFWFLSA-N 1 0 300.358 3.069 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCc2cccnc21 ZINC000886586303 627168414 /nfs/dbraw/zinc/16/84/14/627168414.db2.gz PKBKFILMIPHNMO-CQSZACIVSA-N 1 0 317.776 3.463 20 5 DGBDRO CC(C)(CO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811485268 627279557 /nfs/dbraw/zinc/27/95/57/627279557.db2.gz ZHTLDQQVUZXCLY-UHFFFAOYSA-N 1 0 307.177 3.010 20 5 DGBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000811787427 627322028 /nfs/dbraw/zinc/32/20/28/627322028.db2.gz JPXJEAWGIYLSLQ-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CC(C)CCC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170031 627461740 /nfs/dbraw/zinc/46/17/40/627461740.db2.gz CHKCYYMFDAYTHL-INIZCTEOSA-N 1 0 320.389 3.149 20 5 DGBDRO O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000814919016 627607873 /nfs/dbraw/zinc/60/78/73/627607873.db2.gz FJZSEKXXSKMQNH-UHFFFAOYSA-N 1 0 322.365 3.181 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(O)cc(F)c1 ZINC000924955785 627697103 /nfs/dbraw/zinc/69/71/03/627697103.db2.gz QKBPSANNDOFZNI-NSHDSACASA-N 1 0 304.321 3.333 20 5 DGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1(Br)CC1 ZINC000925153627 627714031 /nfs/dbraw/zinc/71/40/31/627714031.db2.gz MMOWZPNAXJKVMV-JTQLQIEISA-N 1 0 313.195 3.043 20 5 DGBDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925464538 627739289 /nfs/dbraw/zinc/73/92/89/627739289.db2.gz FGIXNYIRKXQERX-HALDLXJZSA-N 1 0 306.406 3.178 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925629087 627765108 /nfs/dbraw/zinc/76/51/08/627765108.db2.gz LMOZDUVTBAYSKE-HNNXBMFYSA-N 1 0 323.824 3.055 20 5 DGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cn2c(n1)CCCC2 ZINC000925642950 627768218 /nfs/dbraw/zinc/76/82/18/627768218.db2.gz UMRYLFHELFGBHN-CYBMUJFWSA-N 1 0 314.389 3.021 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)C2(Br)CC2)cccc1[N+](=O)[O-] ZINC000926271870 627872786 /nfs/dbraw/zinc/87/27/86/627872786.db2.gz VOWQGTXWSOPPOF-JTQLQIEISA-N 1 0 313.195 3.309 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@@H]2CCCO)cccc1[N+](=O)[O-] ZINC000926273084 627872939 /nfs/dbraw/zinc/87/29/39/627872939.db2.gz ZGFZSTVPQBNWLR-GDBMZVCRSA-N 1 0 306.406 3.324 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCCC[C@@H]2CCCO)cccc1[N+](=O)[O-] ZINC000926273087 627873117 /nfs/dbraw/zinc/87/31/17/627873117.db2.gz ZGFZSTVPQBNWLR-ZBFHGGJFSA-N 1 0 306.406 3.324 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)(C)CO ZINC000926305066 627876334 /nfs/dbraw/zinc/87/63/34/627876334.db2.gz YFZGFCXGBAUPEO-SECBINFHSA-N 1 0 320.311 3.110 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](C3CCCC3)C2)cc1 ZINC000817283417 627877900 /nfs/dbraw/zinc/87/79/00/627877900.db2.gz VMMKWECNUPLAIK-WBVHZDCISA-N 1 0 304.390 3.140 20 5 DGBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1(Cl)CC1 ZINC000926439071 627896214 /nfs/dbraw/zinc/89/62/14/627896214.db2.gz HOMJNYADQFDJJT-SNVBAGLBSA-N 1 0 307.781 3.368 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CCO)CC2)cc1Cl ZINC000817419900 627898044 /nfs/dbraw/zinc/89/80/44/627898044.db2.gz ZGHYJSAVHMJSCC-LBPRGKRZSA-N 1 0 312.797 3.233 20 5 DGBDRO C[C@H](NCC[NH2+]C1CCCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817960955 627976128 /nfs/dbraw/zinc/97/61/28/627976128.db2.gz VCAJZQRTCSZSIB-ZDUSSCGKSA-N 1 0 320.437 3.140 20 5 DGBDRO CCC[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000927006937 627996151 /nfs/dbraw/zinc/99/61/51/627996151.db2.gz ZYAMISCLXSIQOP-MRXNPFEDSA-N 1 0 320.389 3.179 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(C)CCCCO1 ZINC000927014649 627997525 /nfs/dbraw/zinc/99/75/25/627997525.db2.gz PJQACJJXQNQYME-LRDDRELGSA-N 1 0 308.378 3.213 20 5 DGBDRO CC(C)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000927068496 628007129 /nfs/dbraw/zinc/00/71/29/628007129.db2.gz RYINRQLKRFEWKJ-LRDDRELGSA-N 1 0 302.378 3.376 20 5 DGBDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000927143704 628025738 /nfs/dbraw/zinc/02/57/38/628025738.db2.gz PDPPZJKZUFTSBX-RZAIGCCYSA-N 1 0 312.369 3.294 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2C[C@H](CO)C2)c2ccccc2)c1 ZINC000927146167 628026260 /nfs/dbraw/zinc/02/62/60/628026260.db2.gz CJRJYBMRVNHJRI-MZMPZRCHSA-N 1 0 312.369 3.045 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927158767 628028874 /nfs/dbraw/zinc/02/88/74/628028874.db2.gz JISVPIYLPJHUPF-WBMJQRKESA-N 1 0 322.380 3.356 20 5 DGBDRO [NH3+]C[C@H]1CC[C@H](COc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC000818618861 628044342 /nfs/dbraw/zinc/04/43/42/628044342.db2.gz SERKNDWXYYXDGA-MGCOHNPYSA-N 1 0 300.305 3.017 20 5 DGBDRO CCc1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819084848 628089139 /nfs/dbraw/zinc/08/91/39/628089139.db2.gz FQZIDBQSBSHMFH-GOSISDBHSA-N 1 0 314.385 3.023 20 5 DGBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000819103566 628092510 /nfs/dbraw/zinc/09/25/10/628092510.db2.gz JTECRUKLFZSKJC-BLLLJJGKSA-N 1 0 320.414 3.158 20 5 DGBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000819103063 628092796 /nfs/dbraw/zinc/09/27/96/628092796.db2.gz DOJDDLTWVKRJBZ-WBMJQRKESA-N 1 0 320.414 3.158 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000819108573 628093495 /nfs/dbraw/zinc/09/34/95/628093495.db2.gz HRKBGFHIWSZKFA-IARIHHJXSA-N 1 0 304.390 3.187 20 5 DGBDRO CCS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819134458 628097693 /nfs/dbraw/zinc/09/76/93/628097693.db2.gz YMQVHOMEDAXWJZ-NUEKZKHPSA-N 1 0 324.446 3.282 20 5 DGBDRO CC(C)CC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819149394 628101093 /nfs/dbraw/zinc/10/10/93/628101093.db2.gz ITLHRFHUZCSIFL-INIZCTEOSA-N 1 0 306.406 3.434 20 5 DGBDRO CC(C)CC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000819149703 628101154 /nfs/dbraw/zinc/10/11/54/628101154.db2.gz LBBMRZNMXPNSQM-INIZCTEOSA-N 1 0 306.406 3.434 20 5 DGBDRO Cc1cccc(C)c1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819172507 628105203 /nfs/dbraw/zinc/10/52/03/628105203.db2.gz YSTOFVFOYJSJTF-QGZVFWFLSA-N 1 0 300.358 3.035 20 5 DGBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819189481 628108857 /nfs/dbraw/zinc/10/88/57/628108857.db2.gz HKQOVPWGJVRYFM-MRXNPFEDSA-N 1 0 306.406 3.434 20 5 DGBDRO Cc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000819230271 628116742 /nfs/dbraw/zinc/11/67/42/628116742.db2.gz UEUDXXHHKOLZTH-MRXNPFEDSA-N 1 0 320.776 3.380 20 5 DGBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1=CCCC1 ZINC000819361870 628141436 /nfs/dbraw/zinc/14/14/36/628141436.db2.gz KRLYSNYCLZABLR-MRXNPFEDSA-N 1 0 304.390 3.354 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCC[C@H]2C2CC2)cc1 ZINC000819366233 628141797 /nfs/dbraw/zinc/14/17/97/628141797.db2.gz LQDVUFASYVUVHX-HYVNUMGLSA-N 1 0 304.390 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000819366002 628141999 /nfs/dbraw/zinc/14/19/99/628141999.db2.gz GKVUVAUNCGNGJD-USXIJHARSA-N 1 0 304.390 3.044 20 5 DGBDRO Cc1ccc(-c2noc([C@@H]3C[C@H](C)CC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822723554 628484805 /nfs/dbraw/zinc/48/48/05/628484805.db2.gz XYYGORJZRJFZBF-SKDRFNHKSA-N 1 0 302.334 3.014 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823591743 628577591 /nfs/dbraw/zinc/57/75/91/628577591.db2.gz MZSZHURAWQWKLO-RDTXWAMCSA-N 1 0 314.385 3.495 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000823671159 628585497 /nfs/dbraw/zinc/58/54/97/628585497.db2.gz JQAIQTRBJQLQSJ-LLVKDONJSA-N 1 0 300.362 3.057 20 5 DGBDRO COC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000825322041 628749017 /nfs/dbraw/zinc/74/90/17/628749017.db2.gz VSTVEDUOOWEWTG-GFCCVEGCSA-N 1 0 312.797 3.497 20 5 DGBDRO COC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000825322051 628749143 /nfs/dbraw/zinc/74/91/43/628749143.db2.gz WIDGUOVBAPBHBF-GFCCVEGCSA-N 1 0 312.797 3.497 20 5 DGBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000831665006 629402509 /nfs/dbraw/zinc/40/25/09/629402509.db2.gz WTGPOERPLSZTJS-CJNGLKHVSA-N 1 0 312.385 3.113 20 5 DGBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000832209407 629450702 /nfs/dbraw/zinc/45/07/02/629450702.db2.gz HZXLDRCACPPYMF-CABCVRRESA-N 1 0 308.353 3.123 20 5 DGBDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832727679 629508452 /nfs/dbraw/zinc/50/84/52/629508452.db2.gz WLGVTWNPVSWRDB-XJKSGUPXSA-N 1 0 306.406 3.386 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834884240 629797087 /nfs/dbraw/zinc/79/70/87/629797087.db2.gz XWVLATDWYNJRRO-QWHCGFSZSA-N 1 0 319.405 3.177 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834909775 629806468 /nfs/dbraw/zinc/80/64/68/629806468.db2.gz MDNZSTVMSKVKJM-NWDGAFQWSA-N 1 0 307.394 3.033 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H]3C3CCC3)c2c1 ZINC000102885994 630302673 /nfs/dbraw/zinc/30/26/73/630302673.db2.gz KUVNSOCOBMVJEQ-OAHLLOKOSA-N 1 0 300.362 3.167 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CS1 ZINC000840857645 630367967 /nfs/dbraw/zinc/36/79/67/630367967.db2.gz YJCDORIXNKTGMQ-TZMCWYRMSA-N 1 0 321.446 3.047 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](O)C(C)C ZINC000840968763 630388233 /nfs/dbraw/zinc/38/82/33/630388233.db2.gz VEYXFPFHJOTVEE-OCCSQVGLSA-N 1 0 300.786 3.133 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000841091054 630406621 /nfs/dbraw/zinc/40/66/21/630406621.db2.gz SPYRMCQQYJITBV-LBPRGKRZSA-N 1 0 309.797 3.013 20 5 DGBDRO CC(C)C[C@@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841747801 630461807 /nfs/dbraw/zinc/46/18/07/630461807.db2.gz UDDKRLPGGLCYAO-WBVHZDCISA-N 1 0 306.406 3.359 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000842590522 630550927 /nfs/dbraw/zinc/55/09/27/630550927.db2.gz ZMUFDQRWIOUCLJ-JTQLQIEISA-N 1 0 310.741 3.344 20 5 DGBDRO CC(C)c1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)cc1[N+](=O)[O-] ZINC000842669655 630561049 /nfs/dbraw/zinc/56/10/49/630561049.db2.gz OONSHYYQZWEBSD-GFCCVEGCSA-N 1 0 316.361 3.235 20 5 DGBDRO Cc1ccc(C(=O)OC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000842835715 630582705 /nfs/dbraw/zinc/58/27/05/630582705.db2.gz YUJZHIGJONWJSY-CQSZACIVSA-N 1 0 320.389 3.180 20 5 DGBDRO CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH2+]CC1 ZINC000843044046 630607444 /nfs/dbraw/zinc/60/74/44/630607444.db2.gz AYSFWVXXKDPBIH-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO C[NH2+][C@H](CC(C)(C)C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843171000 630625498 /nfs/dbraw/zinc/62/54/98/630625498.db2.gz PATCTMVYDHTFCF-GFCCVEGCSA-N 1 0 318.377 3.265 20 5 DGBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844374129 630722438 /nfs/dbraw/zinc/72/24/38/630722438.db2.gz CWRGABKTYVAPBR-MFKMUULPSA-N 1 0 300.786 3.135 20 5 DGBDRO CC(C)c1ccc(C(=O)OCC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000847822052 631548073 /nfs/dbraw/zinc/54/80/73/631548073.db2.gz SQLRLZMPTHDEFM-CYBMUJFWSA-N 1 0 320.389 3.217 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848479433 631667295 /nfs/dbraw/zinc/66/72/95/631667295.db2.gz AFXAJJQLLNIETH-QWHCGFSZSA-N 1 0 300.362 3.146 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)[C@@H]1C ZINC000848479786 631668738 /nfs/dbraw/zinc/66/87/38/631668738.db2.gz BQGIXXYLSOKSLN-CHWSQXEVSA-N 1 0 300.362 3.146 20 5 DGBDRO CC1=C[C@H](C)C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487227 631669751 /nfs/dbraw/zinc/66/97/51/631669751.db2.gz POJALUCNUXVWBO-ZDUSSCGKSA-N 1 0 312.373 3.314 20 5 DGBDRO Cc1ncc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000848536878 631683060 /nfs/dbraw/zinc/68/30/60/631683060.db2.gz XVAOGDOPLVCYNE-CQSZACIVSA-N 1 0 303.387 3.179 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848557613 631691615 /nfs/dbraw/zinc/69/16/15/631691615.db2.gz GKZKYTRRLKWAAQ-JECHBYEQSA-N 1 0 319.405 3.175 20 5 DGBDRO COC[C@H](CC(C)(C)C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848564187 631694620 /nfs/dbraw/zinc/69/46/20/631694620.db2.gz JAWUTUVBQPVFLW-YPMHNXCESA-N 1 0 309.410 3.279 20 5 DGBDRO C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848566181 631694871 /nfs/dbraw/zinc/69/48/71/631694871.db2.gz RZUOQJPQQNSRRE-DRZSPHRISA-N 1 0 307.394 3.174 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848787864 631748612 /nfs/dbraw/zinc/74/86/12/631748612.db2.gz XKRHXUOCVCYKAB-IAGOWNOFSA-N 1 0 317.389 3.226 20 5 DGBDRO Cc1c(CNC(=[NH2+])NC2CCCCCC2)cccc1[N+](=O)[O-] ZINC000849021751 631808967 /nfs/dbraw/zinc/80/89/67/631808967.db2.gz FZJYQXHMTQVSCQ-UHFFFAOYSA-N 1 0 304.394 3.240 20 5 DGBDRO COc1ccc(CNC(=[NH2+])Nc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000849065516 631825322 /nfs/dbraw/zinc/82/53/22/631825322.db2.gz LDLVETNOJVQKQH-UHFFFAOYSA-N 1 0 314.345 3.048 20 5 DGBDRO Cc1c(CNC(=[NH2+])Nc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000849079962 631830033 /nfs/dbraw/zinc/83/00/33/631830033.db2.gz BWKFKFGYVZBIBS-UHFFFAOYSA-N 1 0 320.299 3.318 20 5 DGBDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCc1ccccc1[N+](=O)[O-] ZINC000849088682 631833013 /nfs/dbraw/zinc/83/30/13/631833013.db2.gz SYPBBQXAHRNHCI-CQSZACIVSA-N 1 0 320.437 3.466 20 5 DGBDRO C[C@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000849731319 631952679 /nfs/dbraw/zinc/95/26/79/631952679.db2.gz AXNPSFSNKNSZHV-IJLUTSLNSA-N 1 0 324.352 3.038 20 5 DGBDRO CC1(C)OC[C@H](CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000851883968 632513558 /nfs/dbraw/zinc/51/35/58/632513558.db2.gz ZREPUUDGPOCWDM-INIZCTEOSA-N 1 0 320.389 3.101 20 5 DGBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852422616 632601880 /nfs/dbraw/zinc/60/18/80/632601880.db2.gz GJXOOBZUOLHDIX-IAQYHMDHSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCCC[C@H]2CCO)c1 ZINC000792924487 660994097 /nfs/dbraw/zinc/99/40/97/660994097.db2.gz ILLDXGFIYSTGTP-ZDUSSCGKSA-N 1 0 312.797 3.375 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC3(CCC3)CC2)c1 ZINC000795714142 661169349 /nfs/dbraw/zinc/16/93/49/661169349.db2.gz NQNNFMPLOPJAFH-UHFFFAOYSA-N 1 0 300.362 3.168 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCCCCCC3)n2)cc1 ZINC000051228748 655715155 /nfs/dbraw/zinc/71/51/55/655715155.db2.gz JAKUBBIUOKIMMK-UHFFFAOYSA-N 1 0 316.361 3.411 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933912381 655738057 /nfs/dbraw/zinc/73/80/57/655738057.db2.gz JQBNAMNVFMCGCX-HNNXBMFYSA-N 1 0 310.394 3.451 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2[NH2+]CCc3ccccc32)c(F)c1 ZINC000262489836 655750992 /nfs/dbraw/zinc/75/09/92/655750992.db2.gz KVXQZBLLJRMIHE-MRXNPFEDSA-N 1 0 301.321 3.033 20 5 DGBDRO C[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC1(C)OCCO1 ZINC000715964056 661216392 /nfs/dbraw/zinc/21/63/92/661216392.db2.gz CSZFLOOBEUATGO-CHWSQXEVSA-N 1 0 308.378 3.035 20 5 DGBDRO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000262115839 657379823 /nfs/dbraw/zinc/37/98/23/657379823.db2.gz KEAXJMFJKXJVBO-RISCZKNCSA-N 1 0 300.362 3.072 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1O ZINC000897683617 658483346 /nfs/dbraw/zinc/48/33/46/658483346.db2.gz FQDSMPXFPXCDET-ABAIWWIYSA-N 1 0 318.398 3.136 20 5 DGBDRO CCC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000171682546 659294710 /nfs/dbraw/zinc/29/47/10/659294710.db2.gz PAOZAATXYYYSAI-UHFFFAOYSA-N 1 0 311.769 3.061 20 5 DGBDRO C[N@H+](CCc1cccs1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173407310 659384710 /nfs/dbraw/zinc/38/47/10/659384710.db2.gz DNPWKTJIUIXQQG-UHFFFAOYSA-N 1 0 316.386 3.138 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)C2 ZINC000930098919 659907516 /nfs/dbraw/zinc/90/75/16/659907516.db2.gz HGRIUDRZUGAWQJ-ZOZIMZAQSA-N 1 0 308.328 3.244 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932178509 661544998 /nfs/dbraw/zinc/54/49/98/661544998.db2.gz OAWKYYWSMQHBAJ-IYOUNJFTSA-N 1 0 314.385 3.410 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932820153 661598934 /nfs/dbraw/zinc/59/89/34/661598934.db2.gz JGQCLBYXNRHLGU-ZDUSSCGKSA-N 1 0 304.390 3.283 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c(F)c1 ZINC000933076863 661616091 /nfs/dbraw/zinc/61/60/91/661616091.db2.gz CFNSJHTXZINJAB-AWEZNQCLSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933378083 661631462 /nfs/dbraw/zinc/63/14/62/661631462.db2.gz JQPMNHFWJCSZKI-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000934381110 661703267 /nfs/dbraw/zinc/70/32/67/661703267.db2.gz MMMFVLIEQNFRSZ-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934623764 661719521 /nfs/dbraw/zinc/71/95/21/661719521.db2.gz JPLXYZPROLZYJS-IUODEOHRSA-N 1 0 317.389 3.176 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)c(F)c1 ZINC000934692482 661726488 /nfs/dbraw/zinc/72/64/88/661726488.db2.gz PFOUEOIULGPXMP-INIZCTEOSA-N 1 0 301.321 3.370 20 5 DGBDRO O=C(C[NH2+]C1(C2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000934788978 661734721 /nfs/dbraw/zinc/73/47/21/661734721.db2.gz XMJIJPBZQBQPMV-UHFFFAOYSA-N 1 0 317.389 3.236 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000192685542 662108211 /nfs/dbraw/zinc/10/82/11/662108211.db2.gz RRNRIUUTFXGKKJ-NWDGAFQWSA-N 1 0 323.393 3.159 20 5 DGBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000089092105 662237699 /nfs/dbraw/zinc/23/76/99/662237699.db2.gz FOIDRRNTOZTFFS-KWQFWETISA-N 1 0 303.284 3.153 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000246059133 662246497 /nfs/dbraw/zinc/24/64/97/662246497.db2.gz AWZMGEZSJOTCDN-CZUORRHYSA-N 1 0 314.389 3.244 20 5 DGBDRO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246329525 662254316 /nfs/dbraw/zinc/25/43/16/662254316.db2.gz SOIMZBJMLPFLBQ-NUEKZKHPSA-N 1 0 324.446 3.234 20 5 DGBDRO CCC1(CC)[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC001617726560 1191876923 /nfs/dbraw/zinc/87/69/23/1191876923.db2.gz DJVBHUDYOJRVOY-HOTGVXAUSA-N 1 0 306.406 3.321 20 5 DGBDRO CCCN(C(=O)CC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001577489080 1191905484 /nfs/dbraw/zinc/90/54/84/1191905484.db2.gz VCOZDGXWKHHNRR-AWEZNQCLSA-N 1 0 319.405 3.118 20 5 DGBDRO Cc1ccc(N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c([N+](=O)[O-])c1 ZINC001579714676 1191988944 /nfs/dbraw/zinc/98/89/44/1191988944.db2.gz DOJPHEVRHGSKNN-MRXNPFEDSA-N 1 0 303.406 3.118 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(OC[C@@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC001580875003 1192043362 /nfs/dbraw/zinc/04/33/62/1192043362.db2.gz TVHSCAVOXFARAO-SECBINFHSA-N 1 0 302.733 3.156 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001580874906 1192043534 /nfs/dbraw/zinc/04/35/34/1192043534.db2.gz OAWKWOBKOZLKJY-AWEZNQCLSA-N 1 0 303.406 3.201 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc2c([nH+]1)CCC2 ZINC001620940471 1192630353 /nfs/dbraw/zinc/63/03/53/1192630353.db2.gz VRWOFDUYWBUBAU-UHFFFAOYSA-N 1 0 313.357 3.489 20 5 DGBDRO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC001331108722 1178136595 /nfs/dbraw/zinc/13/65/95/1178136595.db2.gz DYPDOMYPYUFFDT-UHFFFAOYSA-N 1 0 304.350 3.265 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331568641 1178250332 /nfs/dbraw/zinc/25/03/32/1178250332.db2.gz IAVDVKMJKACXPV-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CC4(CC4(F)F)C3)nc2c1 ZINC001332998793 1178536378 /nfs/dbraw/zinc/53/63/78/1178536378.db2.gz BCYITUVERFNXNQ-UHFFFAOYSA-N 1 0 309.272 3.013 20 5 DGBDRO CCn1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC001333751870 1178667982 /nfs/dbraw/zinc/66/79/82/1178667982.db2.gz AOIKZMYHIJOKME-UHFFFAOYSA-N 1 0 302.378 3.145 20 5 DGBDRO CCCN(CC[NH+](CC)CC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001642663108 1194927221 /nfs/dbraw/zinc/92/72/21/1194927221.db2.gz WDSWIPMJBQJZAE-UHFFFAOYSA-N 1 0 307.438 3.457 20 5 DGBDRO C[C@@](O)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC001334964385 1178835675 /nfs/dbraw/zinc/83/56/75/1178835675.db2.gz FWFGOZYHGVFMGY-MRXNPFEDSA-N 1 0 320.776 3.246 20 5 DGBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001335335331 1178897126 /nfs/dbraw/zinc/89/71/26/1178897126.db2.gz DYHHKLRZHOXXCK-SJORKVTESA-N 1 0 315.373 3.010 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001344113411 1179380376 /nfs/dbraw/zinc/38/03/76/1179380376.db2.gz NGTJXZUQFREZQN-KRWDZBQOSA-N 1 0 303.406 3.173 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CCCCCC[NH3+])n1 ZINC001345957794 1179630755 /nfs/dbraw/zinc/63/07/55/1179630755.db2.gz OZIDUNUOZNJXCD-UHFFFAOYSA-N 1 0 318.377 3.323 20 5 DGBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001349838791 1179960871 /nfs/dbraw/zinc/96/08/71/1179960871.db2.gz JNMGEMISQSAKAS-BXUZGUMPSA-N 1 0 320.389 3.292 20 5 DGBDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC001351282921 1180194404 /nfs/dbraw/zinc/19/44/04/1180194404.db2.gz HBTBWDLZLWLNGP-NSHDSACASA-N 1 0 305.403 3.354 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001352673888 1180377297 /nfs/dbraw/zinc/37/72/97/1180377297.db2.gz VLNZWFGUTDMBGX-CYBMUJFWSA-N 1 0 311.769 3.060 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cccc3nccn32)cc1 ZINC001200855084 1180974596 /nfs/dbraw/zinc/97/45/96/1180974596.db2.gz WLPOPQKHBVWLQY-UHFFFAOYSA-N 1 0 324.384 3.355 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC001355264661 1181022799 /nfs/dbraw/zinc/02/27/99/1181022799.db2.gz XLZQBVPSFYLQPI-LBPRGKRZSA-N 1 0 314.389 3.365 20 5 DGBDRO CC(C)([NH2+]Cc1ccc(O)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001355320504 1181035825 /nfs/dbraw/zinc/03/58/25/1181035825.db2.gz BINFHSFWBQXPTQ-UHFFFAOYSA-N 1 0 304.321 3.464 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCOC12CCCC2 ZINC001356045772 1181131623 /nfs/dbraw/zinc/13/16/23/1181131623.db2.gz KEHFZKDRWKTWHQ-HOCLYGCPSA-N 1 0 302.374 3.273 20 5 DGBDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc2ccccc2c2cccnc12 ZINC001358464234 1181496850 /nfs/dbraw/zinc/49/68/50/1181496850.db2.gz WTHNHJSZPCJBAS-MORSLUCNSA-N 1 0 317.392 3.011 20 5 DGBDRO C[C@H]1[C@@H](CO)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001473430202 1181524696 /nfs/dbraw/zinc/52/46/96/1181524696.db2.gz XBEBNYOLHUQQJA-DTWKUNHWSA-N 1 0 319.188 3.104 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc2nccn21 ZINC001360441563 1181622032 /nfs/dbraw/zinc/62/20/32/1181622032.db2.gz QNFFZVNDJPXPKD-UHFFFAOYSA-N 1 0 310.313 3.112 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC[NH+]1CCCCCC1 ZINC001458097076 1182496685 /nfs/dbraw/zinc/49/66/85/1182496685.db2.gz MHUMCIIPLQZGFH-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001458176590 1182501946 /nfs/dbraw/zinc/50/19/46/1182501946.db2.gz AXXMYZSSXLGNJS-AWEZNQCLSA-N 1 0 314.389 3.429 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001458405142 1182521637 /nfs/dbraw/zinc/52/16/37/1182521637.db2.gz IHWBZHSSXDGEOJ-SNVBAGLBSA-N 1 0 301.337 3.405 20 5 DGBDRO CCC[C@@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001458557199 1182538938 /nfs/dbraw/zinc/53/89/38/1182538938.db2.gz ZJNLNRPFDKWPKW-SECBINFHSA-N 1 0 318.204 3.480 20 5 DGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC001459860379 1182624289 /nfs/dbraw/zinc/62/42/89/1182624289.db2.gz NWRJQSIDXHRBPE-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2cccnc2o1 ZINC001621327194 1193181750 /nfs/dbraw/zinc/18/17/50/1193181750.db2.gz LCKKTYBNRAGUOC-UHFFFAOYSA-N 1 0 311.341 3.411 20 5 DGBDRO COCC[C@H](CO)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001461479028 1182817821 /nfs/dbraw/zinc/81/78/21/1182817821.db2.gz SXHVOCAGMPGVSX-QGZVFWFLSA-N 1 0 309.409 3.480 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC(F)F)cs2)c1 ZINC001461832222 1182864977 /nfs/dbraw/zinc/86/49/77/1182864977.db2.gz VQYPXYPHJBJNHH-UHFFFAOYSA-N 1 0 313.329 3.463 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC001472813348 1183685159 /nfs/dbraw/zinc/68/51/59/1183685159.db2.gz RZVCRGBZFUBGOD-HZPDHXFCSA-N 1 0 319.405 3.328 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC001473187895 1183725806 /nfs/dbraw/zinc/72/58/06/1183725806.db2.gz UJZXPVCWKQKKEH-RDJZCZTQSA-N 1 0 322.405 3.239 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](C2CCCCC2)CC1 ZINC001473294859 1183740538 /nfs/dbraw/zinc/74/05/38/1183740538.db2.gz CIYDVTNSCULRCK-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO O=[N+]([O-])CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001473322741 1183743761 /nfs/dbraw/zinc/74/37/61/1183743761.db2.gz XLXPUIVGPAPEDV-MRXNPFEDSA-N 1 0 304.777 3.490 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001473385778 1183750765 /nfs/dbraw/zinc/75/07/65/1183750765.db2.gz QSIAQBUXIYEKAO-DZGCQCFKSA-N 1 0 319.405 3.400 20 5 DGBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2COC(C)(C)C)cc1[N+](=O)[O-] ZINC001473782684 1183801490 /nfs/dbraw/zinc/80/14/90/1183801490.db2.gz ZHLCFQMBBOQQSB-CQSZACIVSA-N 1 0 322.405 3.383 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccccc1[N+](=O)[O-] ZINC001473878334 1183817824 /nfs/dbraw/zinc/81/78/24/1183817824.db2.gz VYRHULOGKJEKMT-FUHWJXTLSA-N 1 0 317.433 3.290 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001473885511 1183818989 /nfs/dbraw/zinc/81/89/89/1183818989.db2.gz VKPJDEKATJWOCI-HOTGVXAUSA-N 1 0 320.389 3.137 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001473885513 1183819184 /nfs/dbraw/zinc/81/91/84/1183819184.db2.gz VKPJDEKATJWOCI-JKSUJKDBSA-N 1 0 320.389 3.137 20 5 DGBDRO CN(CC[N@H+](C)C1CC1)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001655384977 1195911010 /nfs/dbraw/zinc/91/10/10/1195911010.db2.gz FINFWYGEOHFVIJ-UHFFFAOYSA-N 1 0 318.204 3.432 20 5 DGBDRO CC[N@H+]1[C@H](C)CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC001612820312 1193462084 /nfs/dbraw/zinc/46/20/84/1193462084.db2.gz ZUUZGYWMWNOJDJ-BETUJISGSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+]1C ZINC001612939770 1193464361 /nfs/dbraw/zinc/46/43/61/1193464361.db2.gz SXDAQWMOJPJZJS-JSGCOSHPSA-N 1 0 312.373 3.161 20 5 DGBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)c([N+](=O)[O-])n1 ZINC001615338123 1193521154 /nfs/dbraw/zinc/52/11/54/1193521154.db2.gz RMHUXVLJAJJYPK-OAHLLOKOSA-N 1 0 306.410 3.263 20 5 DGBDRO Cc1cc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC001558807462 1189150279 /nfs/dbraw/zinc/15/02/79/1189150279.db2.gz FNKWSTLIUGFTSA-UHFFFAOYSA-N 1 0 317.389 3.106 20 5 DGBDRO CN(CC[NH+]1CCCC1)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001559096288 1189170490 /nfs/dbraw/zinc/17/04/90/1189170490.db2.gz GHLIOTOYOLFJFL-UHFFFAOYSA-N 1 0 318.204 3.434 20 5 DGBDRO CC[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H]1C ZINC001559769757 1189240620 /nfs/dbraw/zinc/24/06/20/1189240620.db2.gz SEKDNZHKORNMRI-NEPJUHHUSA-N 1 0 306.362 3.002 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOCC23CCCCC3)cc1 ZINC001559838955 1189247951 /nfs/dbraw/zinc/24/79/51/1189247951.db2.gz KQGCAQVSJBOTOG-UHFFFAOYSA-N 1 0 320.389 3.009 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@]12CCCOC2 ZINC001560238336 1189297329 /nfs/dbraw/zinc/29/73/29/1189297329.db2.gz LWUCADDNLSFOTB-QGZVFWFLSA-N 1 0 320.389 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnc3ccccn23)cc1 ZINC001560361721 1189318478 /nfs/dbraw/zinc/31/84/78/1189318478.db2.gz IEPSFTYTOHPXRS-UHFFFAOYSA-N 1 0 324.384 3.355 20 5 DGBDRO CC(C)(C)C1CCC(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001560382572 1189321034 /nfs/dbraw/zinc/32/10/34/1189321034.db2.gz IKDQIHUMKLPLPR-UHFFFAOYSA-N 1 0 308.426 3.233 20 5 DGBDRO COc1ccc(C[NH2+]CCc2sccc2C)cc1[N+](=O)[O-] ZINC001560417171 1189325213 /nfs/dbraw/zinc/32/52/13/1189325213.db2.gz ULBBFXJZEGDZMV-UHFFFAOYSA-N 1 0 306.387 3.306 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC001560998394 1189418305 /nfs/dbraw/zinc/41/83/05/1189418305.db2.gz WPRHJFWYJWXRTF-DKGMDFAASA-N 1 0 318.417 3.481 20 5 DGBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001618387884 1193736431 /nfs/dbraw/zinc/73/64/31/1193736431.db2.gz OWQOPMKMVSMDJM-GUYCJALGSA-N 1 0 319.405 3.482 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC(C)(C)C ZINC001618819909 1193753972 /nfs/dbraw/zinc/75/39/72/1193753972.db2.gz CMQCBKHRADMNGF-UHFFFAOYSA-N 1 0 307.394 3.291 20 5 DGBDRO CC[C@H]1COC(C)(C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001619854590 1193762467 /nfs/dbraw/zinc/76/24/67/1193762467.db2.gz RGBOXUBQPMNHOG-AWEZNQCLSA-N 1 0 322.405 3.253 20 5 DGBDRO CCC(CC)[C@H](CNCc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC001620714458 1193794789 /nfs/dbraw/zinc/79/47/89/1193794789.db2.gz QLFKXDNUHGOYSN-KRWDZBQOSA-N 1 0 307.438 3.359 20 5 DGBDRO CC(C)c1ccc(CN[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC001621108427 1193804068 /nfs/dbraw/zinc/80/40/68/1193804068.db2.gz OUUBKJKDWAIGTH-BHYGNILZSA-N 1 0 317.433 3.148 20 5 DGBDRO C[C@@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)(C)C ZINC001621218303 1193818802 /nfs/dbraw/zinc/81/88/02/1193818802.db2.gz BHYJGUUJYMWYRM-AWEZNQCLSA-N 1 0 305.422 3.399 20 5 DGBDRO CC(C)C(C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C(C)C ZINC001621478881 1193848070 /nfs/dbraw/zinc/84/80/70/1193848070.db2.gz MXGOHRZAAFTNFP-KRWDZBQOSA-N 1 0 308.422 3.320 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC001621527526 1193854163 /nfs/dbraw/zinc/85/41/63/1193854163.db2.gz SVRWZAGDHFQCMP-GOEBONIOSA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC=CC[C@H]1C ZINC001621561474 1193858737 /nfs/dbraw/zinc/85/87/37/1193858737.db2.gz SFUNJYDXNQHEES-XJKCOSOUSA-N 1 0 317.389 3.256 20 5 DGBDRO Cc1cc(NC(=O)c2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC001637524444 1194674382 /nfs/dbraw/zinc/67/43/82/1194674382.db2.gz AIRGUEJTPGXDEL-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO C[NH+](C)C1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCCC1 ZINC001639242424 1194756875 /nfs/dbraw/zinc/75/68/75/1194756875.db2.gz QHSNWYNIWVURSE-UHFFFAOYSA-N 1 0 318.421 3.155 20 5 DGBDRO CC(C)(C)[NH2+]CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001639508892 1194769341 /nfs/dbraw/zinc/76/93/41/1194769341.db2.gz JKDRXMHCHFSCDR-UHFFFAOYSA-N 1 0 305.300 3.414 20 5 DGBDRO CC(=O)c1ccc(NC(C)(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001639941594 1194788273 /nfs/dbraw/zinc/78/82/73/1194788273.db2.gz ZKRJPVVBIPIOQW-UHFFFAOYSA-N 1 0 307.394 3.330 20 5 DGBDRO CN(CCCC[NH+](C)C)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001640354691 1194808217 /nfs/dbraw/zinc/80/82/17/1194808217.db2.gz CKFCYGGVFZHVRD-UHFFFAOYSA-N 1 0 319.327 3.392 20 5 DGBDRO CCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC001641817399 1194872900 /nfs/dbraw/zinc/87/29/00/1194872900.db2.gz UILYUTNDQZMFQJ-GJZGRUSLSA-N 1 0 321.421 3.405 20 5 DGBDRO CC(C)Oc1nc(NCC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC001642040345 1194884998 /nfs/dbraw/zinc/88/49/98/1194884998.db2.gz OXVBTHXATOEUDP-UHFFFAOYSA-N 1 0 322.409 3.063 20 5 DGBDRO CCCC[N@H+](C)CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001642244816 1194895463 /nfs/dbraw/zinc/89/54/63/1194895463.db2.gz WHZJCHDTIIWOEM-UHFFFAOYSA-N 1 0 315.801 3.401 20 5 DGBDRO C[NH+](C)[C@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1(C)C ZINC001642841499 1194946277 /nfs/dbraw/zinc/94/62/77/1194946277.db2.gz SQLLKKGADGBDCB-STQMWFEESA-N 1 0 320.418 3.345 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCCN(CCF)C1 ZINC001642866522 1194949247 /nfs/dbraw/zinc/94/92/47/1194949247.db2.gz XXBONKOHGRQDPK-LLVKDONJSA-N 1 0 301.749 3.094 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1(C)C ZINC001643131899 1194997458 /nfs/dbraw/zinc/99/74/58/1194997458.db2.gz WYSZENPNERDCSP-JKSUJKDBSA-N 1 0 322.405 3.285 20 5 DGBDRO CO[C@]1(C)C[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001644692141 1195127414 /nfs/dbraw/zinc/12/74/14/1195127414.db2.gz ZFEMVRAXJDTSDE-DOTOQJQBSA-N 1 0 322.405 3.109 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC001645756236 1195200273 /nfs/dbraw/zinc/20/02/73/1195200273.db2.gz NHGBLCYHNQPTMU-MRXNPFEDSA-N 1 0 322.430 3.191 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C)(CC(C)C)CC1 ZINC001646014175 1195210901 /nfs/dbraw/zinc/21/09/01/1195210901.db2.gz PMMAAFHEBXYUOE-UHFFFAOYSA-N 1 0 308.426 3.248 20 5 DGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC(OC(C)(C)C)C1 ZINC001646258577 1195218730 /nfs/dbraw/zinc/21/87/30/1195218730.db2.gz FMFHFGMTODYEAQ-UHFFFAOYSA-N 1 0 322.405 3.252 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001647780597 1195253646 /nfs/dbraw/zinc/25/36/46/1195253646.db2.gz HUOWPIAIYVNXBF-ZIAGYGMSSA-N 1 0 322.405 3.493 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001648114089 1195277529 /nfs/dbraw/zinc/27/75/29/1195277529.db2.gz LXHZVKOKZJJNIJ-BPUTZDHNSA-N 1 0 324.808 3.374 20 5 DGBDRO COC(=O)[C@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001648277080 1195288731 /nfs/dbraw/zinc/28/87/31/1195288731.db2.gz FVVSSEJNDMOMJZ-XPKDYRNWSA-N 1 0 320.389 3.225 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001648442328 1195300928 /nfs/dbraw/zinc/30/09/28/1195300928.db2.gz GYZCFGVNLXOQRP-KGLIPLIRSA-N 1 0 312.373 3.244 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOCC23CCCC3)cc1F ZINC001648638408 1195316766 /nfs/dbraw/zinc/31/67/66/1195316766.db2.gz QNLZAXWXBNKVPT-OAHLLOKOSA-N 1 0 308.353 3.173 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CCO)C3CC3)o2)c1 ZINC001650212024 1195360442 /nfs/dbraw/zinc/36/04/42/1195360442.db2.gz HCPPCWVGEABGSN-MRXNPFEDSA-N 1 0 316.357 3.105 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001650695778 1195371835 /nfs/dbraw/zinc/37/18/35/1195371835.db2.gz DNOJGXMSUZUDGC-JTQLQIEISA-N 1 0 315.801 3.399 20 5 DGBDRO C[N@@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC12CCCCC2 ZINC001651079126 1195411044 /nfs/dbraw/zinc/41/10/44/1195411044.db2.gz GYBGNRRBCWBNGS-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001651111587 1195416328 /nfs/dbraw/zinc/41/63/28/1195416328.db2.gz QIYAZXCBWXOVPW-CYBMUJFWSA-N 1 0 320.437 3.401 20 5 DGBDRO C[NH2+]C1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCCCC1 ZINC001651361444 1195449855 /nfs/dbraw/zinc/44/98/55/1195449855.db2.gz QFKNUWADTMVMLZ-UHFFFAOYSA-N 1 0 314.389 3.477 20 5 DGBDRO C[C@@H]1[C@@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001651434765 1195460734 /nfs/dbraw/zinc/46/07/34/1195460734.db2.gz CPXDTYPHQIGOHH-SCZZXKLOSA-N 1 0 303.284 3.118 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccccc1[N+](=O)[O-] ZINC001651509750 1195472867 /nfs/dbraw/zinc/47/28/67/1195472867.db2.gz PRDRWYYKKYJHLL-PBHICJAKSA-N 1 0 303.406 3.294 20 5 DGBDRO C[C@@H](CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-])[NH+](C)C ZINC001652029079 1195538916 /nfs/dbraw/zinc/53/89/16/1195538916.db2.gz BCAHHMYKQQEZJM-VIFPVBQESA-N 1 0 305.300 3.366 20 5 DGBDRO Cc1cc(N2CC[NH2+][C@@H](c3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC001652255437 1195570856 /nfs/dbraw/zinc/57/08/56/1195570856.db2.gz SXLWFCGMQQIXIO-OAHLLOKOSA-N 1 0 315.348 3.193 20 5 DGBDRO Cc1cc(N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC001652335959 1195584934 /nfs/dbraw/zinc/58/49/34/1195584934.db2.gz BQDXLMYBOSTKTG-HDICACEKSA-N 1 0 315.417 3.215 20 5 DGBDRO Cc1cc(F)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(F)c1 ZINC001652407067 1195593204 /nfs/dbraw/zinc/59/32/04/1195593204.db2.gz ITGNESMGADADNY-UHFFFAOYSA-N 1 0 321.327 3.147 20 5 DGBDRO COCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001652591010 1195622390 /nfs/dbraw/zinc/62/23/90/1195622390.db2.gz QBTCGRCAABQLPD-UHFFFAOYSA-N 1 0 306.406 3.324 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1CCC(C)C ZINC001652814520 1195655305 /nfs/dbraw/zinc/65/53/05/1195655305.db2.gz DXPBUDHYAZUVOD-OAHLLOKOSA-N 1 0 308.426 3.390 20 5 DGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC3CC4(CCC4)C3)CC2)c1 ZINC001653151157 1195693083 /nfs/dbraw/zinc/69/30/83/1195693083.db2.gz MEYSXCGANWURSI-UHFFFAOYSA-N 1 0 315.417 3.297 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC001653868229 1195756152 /nfs/dbraw/zinc/75/61/52/1195756152.db2.gz LRKDXKYNCNUGKE-OLZOCXBDSA-N 1 0 319.405 3.290 20 5 DGBDRO Cc1cccc2c1C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC001654130585 1195776724 /nfs/dbraw/zinc/77/67/24/1195776724.db2.gz UHKGAMKXOZQUGG-UHFFFAOYSA-N 1 0 312.369 3.340 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC001654367950 1195797218 /nfs/dbraw/zinc/79/72/18/1195797218.db2.gz GYLBVEQDCIASMF-HZPDHXFCSA-N 1 0 322.405 3.157 20 5 DGBDRO CCC1(CC)[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC001654367949 1195797294 /nfs/dbraw/zinc/79/72/94/1195797294.db2.gz GYLBVEQDCIASMF-HOTGVXAUSA-N 1 0 322.405 3.157 20 5 DGBDRO CC(C)[C@H](O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001654498741 1195810262 /nfs/dbraw/zinc/81/02/62/1195810262.db2.gz HXFVNCFJSQZICD-NVXWUHKLSA-N 1 0 306.406 3.181 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001655099151 1195876073 /nfs/dbraw/zinc/87/60/73/1195876073.db2.gz ZFHJYJFWVGQOFS-LLVKDONJSA-N 1 0 317.311 3.144 20 5 DGBDRO Cc1c(CN[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001655404294 1195913336 /nfs/dbraw/zinc/91/33/36/1195913336.db2.gz UXNYBEAGGWBIPM-RBSFLKMASA-N 1 0 319.449 3.359 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3CCOCC3)o2)c1 ZINC001655487345 1195923594 /nfs/dbraw/zinc/92/35/94/1195923594.db2.gz XLEQFRUYWGVCLE-UHFFFAOYSA-N 1 0 316.357 3.371 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cnc3ccccc3c2)cc1[N+](=O)[O-] ZINC001655558408 1195931386 /nfs/dbraw/zinc/93/13/86/1195931386.db2.gz ZDQFPCPXEYOMJW-UHFFFAOYSA-N 1 0 323.352 3.441 20 5 DGBDRO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC001655599349 1195938544 /nfs/dbraw/zinc/93/85/44/1195938544.db2.gz RRLKTSBAGQMMLK-SFHVURJKSA-N 1 0 314.385 3.377 20 5 DGBDRO Cc1ncccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001655997040 1195985957 /nfs/dbraw/zinc/98/59/57/1195985957.db2.gz QWMKOWWRKKXYGT-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO COCc1cccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC001656032484 1195988989 /nfs/dbraw/zinc/98/89/89/1195988989.db2.gz GNRNLKWBYOMTGX-UHFFFAOYSA-N 1 0 300.358 3.074 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)COc2ccccc2)cccc1[N+](=O)[O-] ZINC001656226557 1196020293 /nfs/dbraw/zinc/02/02/93/1196020293.db2.gz PLKSPDCQNVKYHV-ZDUSSCGKSA-N 1 0 300.358 3.460 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CCC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC001656377662 1196034299 /nfs/dbraw/zinc/03/42/99/1196034299.db2.gz PHFBCCMTXGEYEI-UHFFFAOYSA-N 1 0 321.421 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001656506023 1196045335 /nfs/dbraw/zinc/04/53/35/1196045335.db2.gz GGYXDVXLDNHSIA-DLBZAZTESA-N 1 0 304.390 3.171 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(OC(C)C)CCC1 ZINC001656902163 1196081849 /nfs/dbraw/zinc/08/18/49/1196081849.db2.gz DBJLUXMTAVXZDS-UHFFFAOYSA-N 1 0 322.405 3.431 20 5 DGBDRO CC(C)C[C@H](C)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001656977414 1196089364 /nfs/dbraw/zinc/08/93/64/1196089364.db2.gz ZLTJFWMHQJJWCW-HNNXBMFYSA-N 1 0 305.422 3.399 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H](C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC001657143969 1196110403 /nfs/dbraw/zinc/11/04/03/1196110403.db2.gz SXLMXFCCIOWNPM-SNVBAGLBSA-N 1 0 321.402 3.262 20 5 DGBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001657549083 1196154222 /nfs/dbraw/zinc/15/42/22/1196154222.db2.gz DXJBCTMILBUETM-NWDGAFQWSA-N 1 0 312.797 3.195 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1O ZINC001657879549 1196189740 /nfs/dbraw/zinc/18/97/40/1196189740.db2.gz MJMNJVVDWBXGPF-AGIUHOORSA-N 1 0 322.405 3.471 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC001657999022 1196200933 /nfs/dbraw/zinc/20/09/33/1196200933.db2.gz IQESXOOUNKMZJW-HNNXBMFYSA-N 1 0 304.390 3.342 20 5 DGBDRO CO[C@](C)(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC001658258772 1196230418 /nfs/dbraw/zinc/23/04/18/1196230418.db2.gz BQVUUHQWELYHIV-QGZVFWFLSA-N 1 0 304.390 3.374 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC001658292703 1196237318 /nfs/dbraw/zinc/23/73/18/1196237318.db2.gz RHBBIAQGDGGXTR-GJZGRUSLSA-N 1 0 308.426 3.294 20 5 DGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCN(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001658392313 1196250784 /nfs/dbraw/zinc/25/07/84/1196250784.db2.gz JTASOIRTGRZMHP-HZPDHXFCSA-N 1 0 319.449 3.047 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC001658648711 1196284507 /nfs/dbraw/zinc/28/45/07/1196284507.db2.gz GEDTYUKDUXIIBD-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001658662793 1196286595 /nfs/dbraw/zinc/28/65/95/1196286595.db2.gz JARGDYJJJNYGON-LBPRGKRZSA-N 1 0 311.813 3.164 20 5 DGBDRO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001658976898 1196327418 /nfs/dbraw/zinc/32/74/18/1196327418.db2.gz RJLHIIQSNLTUMP-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO Cc1cccc2[nH]c(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)cc21 ZINC001659105994 1196344969 /nfs/dbraw/zinc/34/49/69/1196344969.db2.gz FACPVAHFJVEKCO-UHFFFAOYSA-N 1 0 324.384 3.350 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001659563642 1196396308 /nfs/dbraw/zinc/39/63/08/1196396308.db2.gz XRJXTJXYZYKBAS-INIZCTEOSA-N 1 0 320.437 3.392 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CC[NH+]1CCCCC1 ZINC001659560467 1196396384 /nfs/dbraw/zinc/39/63/84/1196396384.db2.gz KOXVFDRJRUKZAL-SSZFMOIBSA-N 1 0 317.433 3.416 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(C)(C)CC[C@H]1O ZINC001659801370 1196415745 /nfs/dbraw/zinc/41/57/45/1196415745.db2.gz JMTXLOKAKCXPTE-FRFSOERESA-N 1 0 320.433 3.445 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(C)(C)CC[C@H]1O ZINC001659801371 1196415958 /nfs/dbraw/zinc/41/59/58/1196415958.db2.gz JMTXLOKAKCXPTE-YSVLISHTSA-N 1 0 320.433 3.445 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001660165065 1196453515 /nfs/dbraw/zinc/45/35/15/1196453515.db2.gz DWVLQCXLWVXHKM-CYBMUJFWSA-N 1 0 321.396 3.183 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001660449340 1196485275 /nfs/dbraw/zinc/48/52/75/1196485275.db2.gz JQGRNTFJQPBMHE-HNNXBMFYSA-N 1 0 323.824 3.355 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC001660747806 1196519053 /nfs/dbraw/zinc/51/90/53/1196519053.db2.gz KWORFBYAXCKGEV-SFHVURJKSA-N 1 0 313.401 3.296 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC001663370467 1196849239 /nfs/dbraw/zinc/84/92/39/1196849239.db2.gz IGEFPKMJCFMENU-WMLDXEAASA-N 1 0 304.390 3.259 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC001663405303 1196859197 /nfs/dbraw/zinc/85/91/97/1196859197.db2.gz NLZXHKZFVLFYDM-XDEPDNQISA-N 1 0 324.446 3.107 20 5 DGBDRO C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001665377778 1197130183 /nfs/dbraw/zinc/13/01/83/1197130183.db2.gz GNFRXENRCJSWGX-SCOBNMCVSA-N 1 0 320.389 3.487 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000089556176 1197986921 /nfs/dbraw/zinc/98/69/21/1197986921.db2.gz YTOSWKJYPXHDGJ-GFCCVEGCSA-N 1 0 318.377 3.303 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000248101001 1203794726 /nfs/dbraw/zinc/79/47/26/1203794726.db2.gz DWGWZXGBJZUGAJ-JTQLQIEISA-N 1 0 304.268 3.087 20 5 DGBDRO CCc1ccc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000178252459 1204017535 /nfs/dbraw/zinc/01/75/35/1204017535.db2.gz AYCSSXNIGJFZTN-NSHDSACASA-N 1 0 313.357 3.429 20 5 DGBDRO C[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)CC1 ZINC001230036158 1097433007 /nfs/dbraw/zinc/43/30/07/1097433007.db2.gz CEZQFJZCQXGJJC-UHFFFAOYSA-N 1 0 305.161 3.375 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCC[C@H]1CCC[NH2+]1 ZINC001169569372 1081594382 /nfs/dbraw/zinc/59/43/82/1081594382.db2.gz MYICHUQSEYXZNG-CYBMUJFWSA-N 1 0 307.394 3.244 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](C)C[NH+]1CCCCC1 ZINC001648882460 1081953011 /nfs/dbraw/zinc/95/30/11/1081953011.db2.gz OYUGSQWAXQIVOH-AWEZNQCLSA-N 1 0 319.449 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(Nc2cc[nH+]c(N3CCCC3)c2)ccc1F ZINC001211191280 1082084350 /nfs/dbraw/zinc/08/43/50/1082084350.db2.gz USCOOOKHXRIXJY-UHFFFAOYSA-N 1 0 302.309 3.473 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001167473051 1082202564 /nfs/dbraw/zinc/20/25/64/1082202564.db2.gz FNKPFJLPGLXPEA-HUUCEWRRSA-N 1 0 310.369 3.369 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccncc2C)c([N+](=O)[O-])c1 ZINC001170298571 1082338209 /nfs/dbraw/zinc/33/82/09/1082338209.db2.gz MNGTUONZUPQMMR-CYBMUJFWSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@H](C)[NH+]2CCC(C)(F)CC2)c([N+](=O)[O-])c1 ZINC001170330134 1082347403 /nfs/dbraw/zinc/34/74/03/1082347403.db2.gz ZBHSROJHRGZSQW-LBPRGKRZSA-N 1 0 310.369 3.358 20 5 DGBDRO CCO[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344654 1082355982 /nfs/dbraw/zinc/35/59/82/1082355982.db2.gz DRVMAANMDPBYED-BBRMVZONSA-N 1 0 322.405 3.035 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC001170345231 1082356855 /nfs/dbraw/zinc/35/68/55/1082356855.db2.gz IJAWLKKEPAWVBQ-CHWSQXEVSA-N 1 0 310.369 3.216 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC001170351002 1082357807 /nfs/dbraw/zinc/35/78/07/1082357807.db2.gz DGDVXFYSKUVXKW-HIFRSBDPSA-N 1 0 322.405 3.035 20 5 DGBDRO C[C@@H](Nc1nc2ccccc2c2ccccc21)[C@@H]1C[NH2+]CCO1 ZINC001170573893 1082693364 /nfs/dbraw/zinc/69/33/64/1082693364.db2.gz LIYREZQWYZIZKR-ACJLOTCBSA-N 1 0 307.397 3.177 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2SCCS2)c(F)c1 ZINC000693822308 1082768964 /nfs/dbraw/zinc/76/89/64/1082768964.db2.gz BDXVLFIYRNFWIN-UHFFFAOYSA-N 1 0 302.396 3.020 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C[C@H]2F)c(Cl)cc1Cl ZINC001217944343 1082959949 /nfs/dbraw/zinc/95/99/49/1082959949.db2.gz HKVKFZYVBUBBDK-KOLCDFICSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C[C@@H]2F)c(Cl)cc1Cl ZINC001217944345 1082960614 /nfs/dbraw/zinc/96/06/14/1082960614.db2.gz HKVKFZYVBUBBDK-ONGXEEELSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C[C@@H]2F)c(Cl)c1Cl ZINC001217951719 1082965184 /nfs/dbraw/zinc/96/51/84/1082965184.db2.gz UUODSSHKHYJYQO-IONNQARKSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C[NH2+]1 ZINC001218402787 1083173087 /nfs/dbraw/zinc/17/30/87/1083173087.db2.gz WEPKYFYZVHQDED-YUMQZZPRSA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001218418542 1083184892 /nfs/dbraw/zinc/18/48/92/1083184892.db2.gz ZYGNDPWTIMXYFR-RDDDGLTNSA-N 1 0 305.161 3.278 20 5 DGBDRO Cc1ccc(F)c(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC001181809153 1083545577 /nfs/dbraw/zinc/54/55/77/1083545577.db2.gz WBMUNLVDLBBBCF-UHFFFAOYSA-N 1 0 302.349 3.417 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001167751641 1083624860 /nfs/dbraw/zinc/62/48/60/1083624860.db2.gz MUSDXXJBBAEJGY-LBPRGKRZSA-N 1 0 317.393 3.148 20 5 DGBDRO C[NH+](C)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1(C)C ZINC001186793100 1084703988 /nfs/dbraw/zinc/70/39/88/1084703988.db2.gz XQEMDZKTUOHEPV-HOTGVXAUSA-N 1 0 314.389 3.284 20 5 DGBDRO CCOc1cc(N2CC[N@H+](C)[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001187446038 1084804648 /nfs/dbraw/zinc/80/46/48/1084804648.db2.gz UJTSKSVDCMHQTL-INIZCTEOSA-N 1 0 321.421 3.160 20 5 DGBDRO Cc1ccnc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158268681 1087752496 /nfs/dbraw/zinc/75/24/96/1087752496.db2.gz QCWRMBGEMRQHNL-BLLLJJGKSA-N 1 0 306.410 3.254 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(NCC34CC[NH+](CC3)CC4)c2c1 ZINC001158828442 1088057235 /nfs/dbraw/zinc/05/72/35/1088057235.db2.gz AUQBWBQOPMVDOC-UHFFFAOYSA-N 1 0 312.373 3.041 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001159456338 1088356061 /nfs/dbraw/zinc/35/60/61/1088356061.db2.gz SRFSTUWSDLWYCJ-UHFFFAOYSA-N 1 0 312.373 3.056 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc3c(c2)CC[NH2+]CC3)c1F ZINC001159682368 1088445104 /nfs/dbraw/zinc/44/51/04/1088445104.db2.gz VIMMMXYIBXPTLV-UHFFFAOYSA-N 1 0 319.311 3.305 20 5 DGBDRO COc1ccc(Nc2ccc([C@H]3CC[NH2+]C3)cc2)c([N+](=O)[O-])c1 ZINC001159777442 1088480389 /nfs/dbraw/zinc/48/03/89/1088480389.db2.gz LBZMWJIZQRZCQE-ZDUSSCGKSA-N 1 0 313.357 3.424 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC001159945522 1088560634 /nfs/dbraw/zinc/56/06/34/1088560634.db2.gz BFKJRQZRRPJJSU-QGZVFWFLSA-N 1 0 313.357 3.469 20 5 DGBDRO Nc1ccc(Nc2ccccc2C2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160023891 1088607154 /nfs/dbraw/zinc/60/71/54/1088607154.db2.gz VVDBXBRLLFSOPP-UHFFFAOYSA-N 1 0 310.357 3.297 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)cn1 ZINC001160265193 1088731681 /nfs/dbraw/zinc/73/16/81/1088731681.db2.gz LMBBZWYDNUDKTN-AWEZNQCLSA-N 1 0 312.373 3.276 20 5 DGBDRO Cc1cc(Cl)nc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001160468929 1088822809 /nfs/dbraw/zinc/82/28/09/1088822809.db2.gz NJKJVLOSYSYJAQ-CNDDSTCGSA-N 1 0 324.812 3.379 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001155032413 1088906385 /nfs/dbraw/zinc/90/63/85/1088906385.db2.gz XPDNBPMJIIRVAR-JSGCOSHPSA-N 1 0 314.389 3.191 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(NC[C@@]3(F)CCCC[NH2+]C3)nc21 ZINC001155115999 1088955703 /nfs/dbraw/zinc/95/57/03/1088955703.db2.gz FPPMRXXJMURCDI-MRXNPFEDSA-N 1 0 318.352 3.037 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@]3(F)CCCC[NH2+]C3)c2c1 ZINC001155120791 1088960320 /nfs/dbraw/zinc/96/03/20/1088960320.db2.gz ZSXNWEDYGURQAI-INIZCTEOSA-N 1 0 318.352 3.037 20 5 DGBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ncc([N+](=O)[O-])cc2F)c1 ZINC001155337727 1089071396 /nfs/dbraw/zinc/07/13/96/1089071396.db2.gz DYWPCGXTLCYYER-SECBINFHSA-N 1 0 300.293 3.093 20 5 DGBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c1 ZINC001155348915 1089079367 /nfs/dbraw/zinc/07/93/67/1089079367.db2.gz QAVZVXNBSBXPJC-JTQLQIEISA-N 1 0 321.340 3.435 20 5 DGBDRO CC(C)(C)CN(c1ncc(F)cc1[N+](=O)[O-])[C@H]1CC[C@H]([NH3+])CC1 ZINC001161675109 1089339913 /nfs/dbraw/zinc/33/99/13/1089339913.db2.gz MGDATCCOAJEDGK-JOCQHMNTSA-N 1 0 324.400 3.251 20 5 DGBDRO C[NH+](C)Cc1cccc(CNc2cc(Cl)ncc2[N+](=O)[O-])c1 ZINC001156043826 1089361438 /nfs/dbraw/zinc/36/14/38/1089361438.db2.gz AJRVDBZZRGELFZ-UHFFFAOYSA-N 1 0 320.780 3.317 20 5 DGBDRO C[NH+](C)Cc1cccc(CNc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC001156044454 1089362416 /nfs/dbraw/zinc/36/24/16/1089362416.db2.gz ONBPHDDIYBVWPL-UHFFFAOYSA-N 1 0 320.780 3.317 20 5 DGBDRO C[C@@H]1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)CC[NH2+]1 ZINC001156692605 1089650727 /nfs/dbraw/zinc/65/07/27/1089650727.db2.gz VDFDULDUYHEBSS-LLVKDONJSA-N 1 0 312.804 3.235 20 5 DGBDRO C[N@@H+]1CCC[C@](C)(Nc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001162341327 1089684132 /nfs/dbraw/zinc/68/41/32/1089684132.db2.gz KPFFTUOUUJSGJF-INIZCTEOSA-N 1 0 300.362 3.039 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(NC[C@]2(CC3CC3)CCC[NH2+]2)nc1Cl ZINC001162350318 1089689985 /nfs/dbraw/zinc/68/99/85/1089689985.db2.gz BUUQRWXNZUNNGE-OAHLLOKOSA-N 1 0 324.812 3.286 20 5 DGBDRO Cc1ccc2c(ccnc2N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162389981 1089709107 /nfs/dbraw/zinc/70/91/07/1089709107.db2.gz AVNGEVKBLAFJOX-NWDGAFQWSA-N 1 0 300.362 3.133 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001162464996 1089747260 /nfs/dbraw/zinc/74/72/60/1089747260.db2.gz AXIFJMONAWAJQQ-OCCSQVGLSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001162467953 1089749527 /nfs/dbraw/zinc/74/95/27/1089749527.db2.gz TYNYUHHFSGHMOL-STQMWFEESA-N 1 0 314.389 3.191 20 5 DGBDRO Cc1cc(N(C)[C@@]2(C)CCC[NH2+]C2)nc2ccc([N+](=O)[O-])cc12 ZINC001156955707 1089764062 /nfs/dbraw/zinc/76/40/62/1089764062.db2.gz JVITWPZWQSJIND-KRWDZBQOSA-N 1 0 314.389 3.030 20 5 DGBDRO [NH3+]Cc1ccc(Nc2ncc([N+](=O)[O-])c3ccccc32)cc1F ZINC001162524921 1089772819 /nfs/dbraw/zinc/77/28/19/1089772819.db2.gz HZJGCRQDZKFDEO-UHFFFAOYSA-N 1 0 312.304 3.484 20 5 DGBDRO [NH3+]Cc1cnn(-c2ccc3ccc4ccc(Cl)nc4c3n2)c1 ZINC001157475099 1089985640 /nfs/dbraw/zinc/98/56/40/1089985640.db2.gz UXKHLRZNQUNERN-UHFFFAOYSA-N 1 0 309.760 3.081 20 5 DGBDRO CCOc1cc(N2C[C@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001162854479 1089992564 /nfs/dbraw/zinc/99/25/64/1089992564.db2.gz UIKBCXNHKPSLOK-CYBMUJFWSA-N 1 0 313.357 3.015 20 5 DGBDRO [NH3+]CC[C@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)c2ccccc21 ZINC001157742343 1090093434 /nfs/dbraw/zinc/09/34/34/1090093434.db2.gz BUHXUPFBQCFUBB-NSHDSACASA-N 1 0 323.356 3.055 20 5 DGBDRO C[C@H]1[C@H]([NH3+])CCCN1c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001157746770 1090095616 /nfs/dbraw/zinc/09/56/16/1090095616.db2.gz NOKVOKIFXCLFQM-GXSJLCMTSA-N 1 0 320.780 3.112 20 5 DGBDRO CC(C)N(c1nc2ccccc2cc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001163187859 1090105880 /nfs/dbraw/zinc/10/58/80/1090105880.db2.gz BIYIORWXEWHGBY-UHFFFAOYSA-N 1 0 302.378 3.095 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001157797179 1090114166 /nfs/dbraw/zinc/11/41/66/1090114166.db2.gz OTMQGVMRNOCGSL-HOCLYGCPSA-N 1 0 314.389 3.428 20 5 DGBDRO COc1cc([N+](=O)[O-])c(N[C@H]2C[NH2+]Cc3ccsc32)cc1F ZINC001163227680 1090125425 /nfs/dbraw/zinc/12/54/25/1090125425.db2.gz BNXPYUGGYCCCMJ-NSHDSACASA-N 1 0 323.349 3.060 20 5 DGBDRO COc1cc(N[C@H]2C[NH2+]Cc3ccsc32)cc([N+](=O)[O-])c1C ZINC001163228598 1090126520 /nfs/dbraw/zinc/12/65/20/1090126520.db2.gz LLAMDCRDNJADPK-LBPRGKRZSA-N 1 0 319.386 3.230 20 5 DGBDRO [NH3+]C[C@@H](Nc1ccc2ccc([N+](=O)[O-])cc2n1)c1ccccc1 ZINC001163294358 1090141410 /nfs/dbraw/zinc/14/14/10/1090141410.db2.gz OJKOCAGLXMXYPO-MRXNPFEDSA-N 1 0 308.341 3.255 20 5 DGBDRO [NH3+]C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC001163296786 1090142149 /nfs/dbraw/zinc/14/21/49/1090142149.db2.gz TUVABRQBWZHJMF-MRXNPFEDSA-N 1 0 308.341 3.255 20 5 DGBDRO C[NH+](C)CC1CCC(Nc2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001163298472 1090142537 /nfs/dbraw/zinc/14/25/37/1090142537.db2.gz BMXTZSZWFBQYGL-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001157942198 1090155191 /nfs/dbraw/zinc/15/51/91/1090155191.db2.gz RGHUIGPQJZRXNP-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@H](C)C1 ZINC001163365446 1090165567 /nfs/dbraw/zinc/16/55/67/1090165567.db2.gz JBWDQPAOBAXTHG-NEPJUHHUSA-N 1 0 317.393 3.002 20 5 DGBDRO CC(C)(C)c1ccc(N[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001163393029 1090173532 /nfs/dbraw/zinc/17/35/32/1090173532.db2.gz LXXNHUSOBURCDW-HNNXBMFYSA-N 1 0 303.406 3.398 20 5 DGBDRO CC(C)N(CCC[NH3+])c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001164122514 1090348132 /nfs/dbraw/zinc/34/81/32/1090348132.db2.gz GLBALYGBMHQQDF-UHFFFAOYSA-N 1 0 305.300 3.177 20 5 DGBDRO Nc1cc(CCCCNc2ccc(F)cc2[N+](=O)[O-])cc[nH+]1 ZINC001164234813 1090382396 /nfs/dbraw/zinc/38/23/96/1090382396.db2.gz WOBUUTDQFADPBF-UHFFFAOYSA-N 1 0 304.325 3.146 20 5 DGBDRO CC[NH+]1CCC(N(C)c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165068671 1090459159 /nfs/dbraw/zinc/45/91/59/1090459159.db2.gz WBOIMESZWYFZNI-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001165278607 1090495109 /nfs/dbraw/zinc/49/51/09/1090495109.db2.gz IISMAJHCLSOBTE-LBPRGKRZSA-N 1 0 302.378 3.220 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001165318299 1090502257 /nfs/dbraw/zinc/50/22/57/1090502257.db2.gz AUPJTCRSCHTENB-ZDUSSCGKSA-N 1 0 324.812 3.002 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCCC[C@H]2C2CC[NH2+]CC2)c(Cl)c1 ZINC001165319830 1090502500 /nfs/dbraw/zinc/50/25/00/1090502500.db2.gz LZFDRBLCEWBHIB-AWEZNQCLSA-N 1 0 324.812 3.002 20 5 DGBDRO O=[N+]([O-])c1ccnc(-n2c3ccccc3cc2[C@@H]2CCC[NH2+]2)c1 ZINC001166650032 1090635568 /nfs/dbraw/zinc/63/55/68/1090635568.db2.gz QFWVHXGWMGKQFW-AWEZNQCLSA-N 1 0 308.341 3.358 20 5 DGBDRO Cc1nc(-n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)ncc1[N+](=O)[O-] ZINC001166657090 1090637019 /nfs/dbraw/zinc/63/70/19/1090637019.db2.gz WBARIJGKFKMPBF-ZDUSSCGKSA-N 1 0 323.356 3.062 20 5 DGBDRO C[NH+](C)CCn1cc(-c2ccnc3c2ccc2cccnc23)cn1 ZINC001206373507 1091603627 /nfs/dbraw/zinc/60/36/27/1091603627.db2.gz OSCGKEDHHGXOKK-UHFFFAOYSA-N 1 0 317.396 3.208 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(C)CC1(C)C ZINC001207357546 1091935349 /nfs/dbraw/zinc/93/53/49/1091935349.db2.gz OTHVRHCFDVJPJZ-YVEFUNNKSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCCO1 ZINC001207700020 1092074493 /nfs/dbraw/zinc/07/44/93/1092074493.db2.gz KUJMEYAXTHRCKB-YOEHRIQHSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC(=O)N1 ZINC001141723527 1092324740 /nfs/dbraw/zinc/32/47/40/1092324740.db2.gz ZXGHUTZJVLQZSL-AWEZNQCLSA-N 1 0 304.393 3.313 20 5 DGBDRO [NH3+]CCN(c1cccnc1)c1ccc([N+](=O)[O-])c2ccccc21 ZINC001168837434 1092389490 /nfs/dbraw/zinc/38/94/90/1092389490.db2.gz ITBGLWRCMQZUQP-UHFFFAOYSA-N 1 0 308.341 3.240 20 5 DGBDRO Cc1cc(C)c(-n2cnc3ccc(C[NH3+])cc32)c(C)c1[N+](=O)[O-] ZINC001168844772 1092407020 /nfs/dbraw/zinc/40/70/20/1092407020.db2.gz RRBSVXFOBYGUDK-UHFFFAOYSA-N 1 0 310.357 3.318 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC001168977057 1092457205 /nfs/dbraw/zinc/45/72/05/1092457205.db2.gz HLDJNWPXKCCQBC-HFTRVMKXSA-N 1 0 311.385 3.206 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccsc2Br)C1 ZINC001168978600 1092458710 /nfs/dbraw/zinc/45/87/10/1092458710.db2.gz SRQUFFXUQJCDJP-WPRPVWTQSA-N 1 0 319.224 3.046 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccsc2Br)C1 ZINC001168978597 1092458664 /nfs/dbraw/zinc/45/86/64/1092458664.db2.gz SRQUFFXUQJCDJP-PSASIEDQSA-N 1 0 319.224 3.046 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)C1 ZINC001168978427 1092458798 /nfs/dbraw/zinc/45/87/98/1092458798.db2.gz SBMVRIWAVMXROC-SWLSCSKDSA-N 1 0 308.809 3.407 20 5 DGBDRO C[C@@H]([NH3+])Cc1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168984369 1092460644 /nfs/dbraw/zinc/46/06/44/1092460644.db2.gz MPOLJOVSPZGPRY-VNHYZAJKSA-N 1 0 301.390 3.149 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)C1 ZINC001168960149 1092463983 /nfs/dbraw/zinc/46/39/83/1092463983.db2.gz ZUPYAGVEEAMOTN-JSGCOSHPSA-N 1 0 316.323 3.283 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC001168961608 1092464727 /nfs/dbraw/zinc/46/47/27/1092464727.db2.gz JDYNJJZRMJLZNH-BDAKNGLRSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(N3CCCCC3)c2)C1 ZINC001168965998 1092468619 /nfs/dbraw/zinc/46/86/19/1092468619.db2.gz FOHPXWABVQPDRO-IAGOWNOFSA-N 1 0 317.433 3.212 20 5 DGBDRO Cc1cccc2c(CC[NH3+])cn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)c21 ZINC001168968459 1092470170 /nfs/dbraw/zinc/47/01/70/1092470170.db2.gz ZGYFYMBCPMHCOJ-UKRRQHHQSA-N 1 0 301.390 3.069 20 5 DGBDRO O=C(c1ccccc1)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007298 1092484793 /nfs/dbraw/zinc/48/47/93/1092484793.db2.gz MKPZQMLMEWBZFY-YOEHRIQHSA-N 1 0 316.401 3.027 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(Cl)cc32)C1 ZINC001169007990 1092486103 /nfs/dbraw/zinc/48/61/03/1092486103.db2.gz QIZFVUAGBJFODE-SCDSUCTJSA-N 1 0 310.781 3.199 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)C1 ZINC001169027891 1092493915 /nfs/dbraw/zinc/49/39/15/1092493915.db2.gz RMZOOGJVWFYKIW-KSZLIROESA-N 1 0 302.418 3.387 20 5 DGBDRO COC1(c2ccccc2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037046 1092498329 /nfs/dbraw/zinc/49/83/29/1092498329.db2.gz HZOFIMLRTQUUAH-NVXWUHKLSA-N 1 0 318.417 3.070 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001169037475 1092498840 /nfs/dbraw/zinc/49/88/40/1092498840.db2.gz RYEGCGQESFHRTB-SJLPKXTDSA-N 1 0 318.417 3.113 20 5 DGBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038326 1092500443 /nfs/dbraw/zinc/50/04/43/1092500443.db2.gz YCZXWGJLALXMHQ-FMKPAKJESA-N 1 0 304.390 3.278 20 5 DGBDRO C[NH2+]Cc1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccc(C)cc12 ZINC001169039997 1092501232 /nfs/dbraw/zinc/50/12/32/1092501232.db2.gz WQOLLOKFQOJDHB-ZFWWWQNUSA-N 1 0 301.390 3.287 20 5 DGBDRO COc1cccc(C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169046944 1092507644 /nfs/dbraw/zinc/50/76/44/1092507644.db2.gz PBHXHBLPNGGNDS-YOEHRIQHSA-N 1 0 318.417 3.320 20 5 DGBDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc2ccc3cccnc3c2n1 ZINC001276597128 1092568746 /nfs/dbraw/zinc/56/87/46/1092568746.db2.gz HMGYSQDNERPUNB-ROUUACIJSA-N 1 0 318.424 3.061 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1N[C@@H](C1CCC1)C(F)(F)F)C[NH2+]C2 ZINC001169283482 1092626879 /nfs/dbraw/zinc/62/68/79/1092626879.db2.gz BLJFYGRUSYAVEA-ZDUSSCGKSA-N 1 0 315.295 3.341 20 5 DGBDRO Cc1cc(Nc2ccc(F)c([N+](=O)[O-])c2)n(-c2cc[nH+]cc2)n1 ZINC001211190572 1093411292 /nfs/dbraw/zinc/41/12/92/1093411292.db2.gz FHJGQPNLHMLXDN-UHFFFAOYSA-N 1 0 313.292 3.367 20 5 DGBDRO CC(C)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001120558281 1094455637 /nfs/dbraw/zinc/45/56/37/1094455637.db2.gz DHGDIUWOCBWSTD-DLBZAZTESA-N 1 0 315.373 3.010 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@H]2C[NH2+]CCC23CC3)c2ccccc21 ZINC001217910840 1094516067 /nfs/dbraw/zinc/51/60/67/1094516067.db2.gz BEQSSBZXEJCCIR-KRWDZBQOSA-N 1 0 312.369 3.407 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217945071 1094523677 /nfs/dbraw/zinc/52/36/77/1094523677.db2.gz AOVCSRCBELBHGU-GXSJLCMTSA-N 1 0 322.258 3.083 20 5 DGBDRO O=c1oc2cc(O[C@H]3C[NH2+]CC[C@@H]3F)ccc2c2ccccc12 ZINC001217958525 1094531240 /nfs/dbraw/zinc/53/12/40/1094531240.db2.gz KZZMVHDGGAKVCJ-RDJZCZTQSA-N 1 0 313.328 3.025 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCCC[NH2+]C2)c(Cl)cc1Cl ZINC001217968638 1094534512 /nfs/dbraw/zinc/53/45/12/1094534512.db2.gz MQIYWMPTZDSFCH-MRVPVSSYSA-N 1 0 305.161 3.423 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@H]1CCCC[NH2+]C1 ZINC001217971216 1094535225 /nfs/dbraw/zinc/53/52/25/1094535225.db2.gz KVNYMECNQOZURC-JTQLQIEISA-N 1 0 304.268 3.135 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001217985519 1094543436 /nfs/dbraw/zinc/54/34/36/1094543436.db2.gz GKLICRPRUBPBJZ-PELKAZGASA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001217989706 1094545963 /nfs/dbraw/zinc/54/59/63/1094545963.db2.gz SXWXJZWOEMKMMW-JOYOIKCWSA-N 1 0 318.295 3.381 20 5 DGBDRO F[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001218014623 1094560158 /nfs/dbraw/zinc/56/01/58/1094560158.db2.gz HKOVMNUBRWUJPP-ACJLOTCBSA-N 1 0 311.360 3.252 20 5 DGBDRO F[C@H]1CC[NH2+]CC[C@@H]1Oc1cccc2nc3ccccc3nc21 ZINC001218015182 1094560689 /nfs/dbraw/zinc/56/06/89/1094560689.db2.gz JVNJMMSTPMWVNQ-LRDDRELGSA-N 1 0 311.360 3.252 20 5 DGBDRO Oc1cccc2cc3cccc(O)c3c(O[C@H]3C[NH2+]C[C@@H]3F)c12 ZINC001218017656 1094561784 /nfs/dbraw/zinc/56/17/84/1094561784.db2.gz XQRHXXIGVKUDOP-WFASDCNBSA-N 1 0 313.328 3.093 20 5 DGBDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@H]2F)c([N+](=O)[O-])cc1Cl ZINC001218017075 1094562133 /nfs/dbraw/zinc/56/21/33/1094562133.db2.gz HLKSUZCPAWOVNF-ZYHUDNBSSA-N 1 0 302.733 3.026 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001218024515 1094565447 /nfs/dbraw/zinc/56/54/47/1094565447.db2.gz AVPFFJFSPHJHEI-CABZTGNLSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001218025093 1094566322 /nfs/dbraw/zinc/56/63/22/1094566322.db2.gz CWRWSLMJDHSSFZ-CABZTGNLSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001218027957 1094566966 /nfs/dbraw/zinc/56/69/66/1094566966.db2.gz RMZOWIMDGASDPP-PELKAZGASA-N 1 0 302.733 3.154 20 5 DGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2CC[NH2+]C2)c1Cl ZINC001218038489 1094572285 /nfs/dbraw/zinc/57/22/85/1094572285.db2.gz KKOIJFODWAEJAG-SSDOTTSWSA-N 1 0 305.161 3.205 20 5 DGBDRO C[C@@H]1C[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218056503 1094579311 /nfs/dbraw/zinc/57/93/11/1094579311.db2.gz OMUIYXOWQIBFAZ-SCZZXKLOSA-N 1 0 304.268 3.133 20 5 DGBDRO c1ccc2cc3cc(O[C@H]4C[C@H]5C[NH2+]CCN5C4)ccc3cc2c1 ZINC001218079083 1094589198 /nfs/dbraw/zinc/58/91/98/1094589198.db2.gz VFMRHTNWWMZBKD-FPOVZHCZSA-N 1 0 318.420 3.418 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218079985 1094590120 /nfs/dbraw/zinc/59/01/20/1094590120.db2.gz KDOXOBDXGCIFHX-GFCCVEGCSA-N 1 0 310.781 3.468 20 5 DGBDRO O=[N+]([O-])c1cccc2cc(O[C@H]3CCC[C@]34CC[NH2+]C4)cnc21 ZINC001218090061 1094594507 /nfs/dbraw/zinc/59/45/07/1094594507.db2.gz AOUOJVDTVYVJBG-DOTOQJQBSA-N 1 0 313.357 3.054 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(O[C@H]3CCC[C@@]34CC[NH2+]C4)nc21 ZINC001218096802 1094601643 /nfs/dbraw/zinc/60/16/43/1094601643.db2.gz SRHZZUSVWKLZSU-YOEHRIQHSA-N 1 0 313.357 3.054 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218113663 1094610383 /nfs/dbraw/zinc/61/03/83/1094610383.db2.gz CMAZAMBODSACCC-CHWSQXEVSA-N 1 0 317.172 3.423 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc([N+](=O)[O-])c1 ZINC001336272739 1094611463 /nfs/dbraw/zinc/61/14/63/1094611463.db2.gz VHONCENISIRRLO-HUJUBCJISA-N 1 0 312.316 3.298 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@H]3CC[C@]34CC[NH2+]C4)nc2c1 ZINC001218117365 1094616803 /nfs/dbraw/zinc/61/68/03/1094616803.db2.gz MVKQCXKIVRDLFI-PKOBYXMFSA-N 1 0 305.381 3.304 20 5 DGBDRO Oc1cccc2cc3cccc(O)c3c(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)c12 ZINC001218148779 1094633330 /nfs/dbraw/zinc/63/33/30/1094633330.db2.gz CNUSBOBFEKEFIT-BDQBCWGISA-N 1 0 321.376 3.391 20 5 DGBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@H]1CC[NH2+][C@H]2CCO[C@@H]21 ZINC001218159324 1094637504 /nfs/dbraw/zinc/63/75/04/1094637504.db2.gz ATINUNJUZQEOQL-FHWLQOOXSA-N 1 0 320.392 3.286 20 5 DGBDRO c1ccc2c(c1)nc(O[C@H]1CC[NH2+][C@H]3CCO[C@@H]31)c1ccccc21 ZINC001218162291 1094638630 /nfs/dbraw/zinc/63/86/30/1094638630.db2.gz OQLIJNCQURDFOP-FHWLQOOXSA-N 1 0 320.392 3.286 20 5 DGBDRO Cc1cc(OC2CC3(C2)CCC[NH2+]C3)c([N+](=O)[O-])cc1Cl ZINC001218255938 1094683276 /nfs/dbraw/zinc/68/32/76/1094683276.db2.gz PUEQALPEKRCKSK-UHFFFAOYSA-N 1 0 310.781 3.468 20 5 DGBDRO CCC(CC)(CC)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135826058 1094697367 /nfs/dbraw/zinc/69/73/67/1094697367.db2.gz LKOAJGUHKJBXHB-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001336721650 1094710734 /nfs/dbraw/zinc/71/07/34/1094710734.db2.gz NIRFAYRULRBOEW-WMLDXEAASA-N 1 0 304.390 3.213 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@H]34)cc2)cc1 ZINC001218325776 1094717138 /nfs/dbraw/zinc/71/71/38/1094717138.db2.gz MYDATVVVCDFSKH-FHLIZLRMSA-N 1 0 310.353 3.249 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2C[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001218330088 1094720669 /nfs/dbraw/zinc/72/06/69/1094720669.db2.gz KEKFYVHHXOMZHV-FDQGKXFDSA-N 1 0 310.353 3.249 20 5 DGBDRO c1ccc2c(c1)ccc1c2ccnc1OCCO[C@H]1CC[NH2+]C1 ZINC001218393805 1094747481 /nfs/dbraw/zinc/74/74/81/1094747481.db2.gz MNWYXNPVSUOWPK-HNNXBMFYSA-N 1 0 308.381 3.145 20 5 DGBDRO C[C@@H]1CC[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[NH2+]1 ZINC001218401831 1094753940 /nfs/dbraw/zinc/75/39/40/1094753940.db2.gz IJFBTGALYZIGFS-KCJUWKMLSA-N 1 0 304.268 3.133 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc2c(c1)oc1ccccc1c2=O ZINC001218415737 1094763823 /nfs/dbraw/zinc/76/38/23/1094763823.db2.gz PWYGMCHFXLFFLS-WBMJQRKESA-N 1 0 309.365 3.323 20 5 DGBDRO FC1(F)CC[NH2+]C[C@@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001218447709 1094779902 /nfs/dbraw/zinc/77/99/02/1094779902.db2.gz LDYNQPAAPLEICM-INIZCTEOSA-N 1 0 315.323 3.159 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c(Cl)c1Cl ZINC001218461518 1094790512 /nfs/dbraw/zinc/79/05/12/1094790512.db2.gz SHVPVYRKEUWCKK-KHQFGBGNSA-N 1 0 317.172 3.278 20 5 DGBDRO O=c1oc2cc(O[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)ccc2c2ccccc21 ZINC001218473732 1094796481 /nfs/dbraw/zinc/79/64/81/1094796481.db2.gz CGJQHMZXCWSHPO-LIXBPZJASA-N 1 0 307.349 3.218 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218475083 1094798800 /nfs/dbraw/zinc/79/88/00/1094798800.db2.gz XWJKHZGAIYQICL-RGNHYFCHSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218487261 1094815318 /nfs/dbraw/zinc/81/53/18/1094815318.db2.gz IAQXCLAHQRJHIP-HNNXBMFYSA-N 1 0 304.733 3.472 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]Cc3ccccc32)cc1F ZINC001218489002 1094817912 /nfs/dbraw/zinc/81/79/12/1094817912.db2.gz NRWJHGJHOCIFCX-INIZCTEOSA-N 1 0 302.305 3.266 20 5 DGBDRO C[NH+](C)C[C@@H]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001337322759 1094934705 /nfs/dbraw/zinc/93/47/05/1094934705.db2.gz LKHCKNYNMQWBFM-JTQLQIEISA-N 1 0 317.311 3.002 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC001337345757 1094940918 /nfs/dbraw/zinc/94/09/18/1094940918.db2.gz YLFHNRNFTIAMFU-GFCCVEGCSA-N 1 0 307.394 3.330 20 5 DGBDRO Cc1cc(NC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])s1 ZINC001337443546 1094976711 /nfs/dbraw/zinc/97/67/11/1094976711.db2.gz YOUNMVLLUNKBLV-UHFFFAOYSA-N 1 0 318.402 3.441 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001337516001 1095006104 /nfs/dbraw/zinc/00/61/04/1095006104.db2.gz YITRWBMYEKBGDP-LLVKDONJSA-N 1 0 305.382 3.003 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001171035971 1095167447 /nfs/dbraw/zinc/16/74/47/1095167447.db2.gz JNXJVILLZDTIDV-MLGOLLRUSA-N 1 0 319.405 3.480 20 5 DGBDRO CC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001116028339 1095440463 /nfs/dbraw/zinc/44/04/63/1095440463.db2.gz PAUGJFZPURHMBI-HIFRSBDPSA-N 1 0 305.378 3.082 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2CN1CC2(C1)C[NH2+]CCO2 ZINC001222441906 1095616204 /nfs/dbraw/zinc/61/62/04/1095616204.db2.gz WUZSMFZVTOOLBL-UHFFFAOYSA-N 1 0 318.420 3.167 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(C2CC2)CCOCC1 ZINC001116613747 1095617214 /nfs/dbraw/zinc/61/72/14/1095617214.db2.gz ABDGKBWMUWEGDG-HYXAFXHYSA-N 1 0 302.374 3.157 20 5 DGBDRO CCOc1cc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001339948452 1095790366 /nfs/dbraw/zinc/79/03/66/1095790366.db2.gz XGHLLHXYTKUKBC-KGLIPLIRSA-N 1 0 307.394 3.278 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC001117682170 1095798683 /nfs/dbraw/zinc/79/86/83/1095798683.db2.gz DAEKNQXIPVPURH-YHTSIIMFSA-N 1 0 318.417 3.339 20 5 DGBDRO C[NH+](C)CC[C@@H](OCc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC001224114347 1096136656 /nfs/dbraw/zinc/13/66/56/1096136656.db2.gz OBNWNQJPORTGKA-MRXNPFEDSA-N 1 0 315.373 3.199 20 5 DGBDRO C[N@@H+]1CCC[C@@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224205015 1096162887 /nfs/dbraw/zinc/16/28/87/1096162887.db2.gz XCQSUTIPYYPYGD-CQSZACIVSA-N 1 0 300.358 3.359 20 5 DGBDRO C[N+](C)(C)CCCO/C(=C\[C@H](O)C(F)(F)F)c1cccs1 ZINC001224620833 1096248214 /nfs/dbraw/zinc/24/82/14/1096248214.db2.gz GCRREASVMLYUSH-OEYXZAGESA-N 1 0 324.388 3.125 20 5 DGBDRO C[C@H](OCCC[N+](C)(C)C)c1ncc(C(F)(F)F)cc1F ZINC001224620802 1096248504 /nfs/dbraw/zinc/24/85/04/1096248504.db2.gz FDQVVPWOPAEPNB-JTQLQIEISA-N 1 0 309.327 3.413 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](C3CCCC3)C2)cc1 ZINC001171331097 1096363807 /nfs/dbraw/zinc/36/38/07/1096363807.db2.gz GJHGWQZFECJWFC-HNNXBMFYSA-N 1 0 304.390 3.486 20 5 DGBDRO O=[N+]([O-])c1cc(NC[C@H]2CCCC[NH2+]2)ccc1OC(F)(F)F ZINC001171335044 1096406213 /nfs/dbraw/zinc/40/62/13/1096406213.db2.gz ROJGXBBKAJYHSY-SNVBAGLBSA-N 1 0 319.283 3.047 20 5 DGBDRO O=[N+]([O-])c1cc(OC2CCN(c3cc[nH+]cc3)CC2)ccc1F ZINC001225382816 1096414225 /nfs/dbraw/zinc/41/42/25/1096414225.db2.gz SFZMZPDOEGJQHG-UHFFFAOYSA-N 1 0 317.320 3.177 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC001225627908 1096487513 /nfs/dbraw/zinc/48/75/13/1096487513.db2.gz JYXUEUDJOCDYAY-MRXNPFEDSA-N 1 0 313.357 3.033 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1ccc([N+](=O)[O-])cn1)c1cccs1 ZINC001225634347 1096489636 /nfs/dbraw/zinc/48/96/36/1096489636.db2.gz VCSLXUBUBACMRK-LBPRGKRZSA-N 1 0 307.375 3.123 20 5 DGBDRO Cc1cccc(OC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001225635463 1096490090 /nfs/dbraw/zinc/49/00/90/1096490090.db2.gz HJGKHPFPQLXPFL-UHFFFAOYSA-N 1 0 313.357 3.346 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001225805191 1096535315 /nfs/dbraw/zinc/53/53/15/1096535315.db2.gz HGRZOTZKEYUWEK-CQSZACIVSA-N 1 0 306.362 3.049 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)c(F)cc1Br ZINC001225845809 1096544377 /nfs/dbraw/zinc/54/43/77/1096544377.db2.gz IIYKIRFLPVEKPY-MRVPVSSYSA-N 1 0 309.174 3.201 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH+]3CCC2CC3)cc1C(F)(F)F ZINC001225916846 1096563814 /nfs/dbraw/zinc/56/38/14/1096563814.db2.gz BMBMSRWEHFXNCM-CYBMUJFWSA-N 1 0 316.279 3.087 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001226303650 1096657197 /nfs/dbraw/zinc/65/71/97/1096657197.db2.gz RTAJOEVSZCJHAW-VIFPVBQESA-N 1 0 307.292 3.087 20 5 DGBDRO CC[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226302429 1096657730 /nfs/dbraw/zinc/65/77/30/1096657730.db2.gz ZPDYWJZGAJTBDP-SNVBAGLBSA-N 1 0 304.268 3.087 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H](CC[NH+](C)C)c2ccccc2)n1 ZINC001227062830 1096857543 /nfs/dbraw/zinc/85/75/43/1096857543.db2.gz VABNHLCSVKTHFC-INIZCTEOSA-N 1 0 315.373 3.370 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1NCC1(c3ccccc3)CC1)C[NH2+]C2 ZINC001171467207 1096902618 /nfs/dbraw/zinc/90/26/18/1096902618.db2.gz XIZPRLNGOQKOFW-UHFFFAOYSA-N 1 0 309.369 3.342 20 5 DGBDRO COc1cccc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001227701178 1096972054 /nfs/dbraw/zinc/97/20/54/1096972054.db2.gz KRDXNRXSBYASSR-WDNDVIMCSA-N 1 0 320.389 3.386 20 5 DGBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C2CCCCC2)cc1 ZINC001227921327 1097013302 /nfs/dbraw/zinc/01/33/02/1097013302.db2.gz UDFULUZVPCABNB-QGZVFWFLSA-N 1 0 320.453 3.097 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1c(Cl)cccc1[N+](=O)[O-] ZINC001228001138 1097028532 /nfs/dbraw/zinc/02/85/32/1097028532.db2.gz RXXUQADSNQYZPK-YABSGUDNSA-N 1 0 310.781 3.357 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3C[NH+]4CCC3CC4)ccc21 ZINC001228184332 1097069728 /nfs/dbraw/zinc/06/97/28/1097069728.db2.gz SDIJQWOEKZYFRI-LJQANCHMSA-N 1 0 321.376 3.419 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001228571998 1097145019 /nfs/dbraw/zinc/14/50/19/1097145019.db2.gz UOHNKHIXZYSRJM-HALDLXJZSA-N 1 0 304.390 3.321 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(NC(=O)c2ccccc2)cc1 ZINC001228652181 1097158934 /nfs/dbraw/zinc/15/89/34/1097158934.db2.gz IEINFCASBHWMMP-OAHLLOKOSA-O 1 0 313.421 3.412 20 5 DGBDRO CCc1coc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172896998 1097266798 /nfs/dbraw/zinc/26/67/98/1097266798.db2.gz VXQNKTVMUPDDNF-OAHLLOKOSA-N 1 0 315.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1ccco1)CC2 ZINC001172900029 1097267199 /nfs/dbraw/zinc/26/71/99/1097267199.db2.gz RPSBPSLAICPCEQ-HNNXBMFYSA-N 1 0 300.358 3.268 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1C ZINC001172899573 1097267592 /nfs/dbraw/zinc/26/75/92/1097267592.db2.gz ARNWGBSEPOGVNN-INIZCTEOSA-N 1 0 313.401 3.279 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccnc1F)CC2 ZINC001172900267 1097267695 /nfs/dbraw/zinc/26/76/95/1097267695.db2.gz RVGVILMGMTXALV-HNNXBMFYSA-N 1 0 315.348 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCCCO1)CC2 ZINC001172899012 1097267701 /nfs/dbraw/zinc/26/77/01/1097267701.db2.gz KMBPSWCHVLQFJC-DOTOQJQBSA-N 1 0 304.390 3.001 20 5 DGBDRO CC1(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCOCC1 ZINC001172902457 1097268287 /nfs/dbraw/zinc/26/82/87/1097268287.db2.gz YSGQJCPCNDZBMT-INIZCTEOSA-N 1 0 318.417 3.249 20 5 DGBDRO COCC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1 ZINC001172902512 1097268364 /nfs/dbraw/zinc/26/83/64/1097268364.db2.gz ZCKXBPIXNZLSCL-HNNXBMFYSA-N 1 0 304.390 3.001 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCOC1CCCC1)CC2 ZINC001172901732 1097268434 /nfs/dbraw/zinc/26/84/34/1097268434.db2.gz JXXVPEOEYVVHHG-INIZCTEOSA-N 1 0 318.417 3.391 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@]3(CCCO3)C1)CC2 ZINC001172906880 1097269033 /nfs/dbraw/zinc/26/90/33/1097269033.db2.gz ZEKXDYSPXUPKPP-AEFFLSMTSA-N 1 0 316.401 3.097 20 5 DGBDRO C[C@@]1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCOC1 ZINC001172907099 1097269117 /nfs/dbraw/zinc/26/91/17/1097269117.db2.gz CXEYDZIUFCKOEX-DOTOQJQBSA-N 1 0 304.390 3.001 20 5 DGBDRO CC(=O)CC(C)(C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903012 1097269200 /nfs/dbraw/zinc/26/92/00/1097269200.db2.gz OTOJDXKKUQUVAZ-OAHLLOKOSA-N 1 0 304.390 3.190 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@]13CCCOC3)CC2 ZINC001172905999 1097269393 /nfs/dbraw/zinc/26/93/93/1097269393.db2.gz LSOGEVJDYMDDQC-NJAFHUGGSA-N 1 0 316.401 3.001 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@H+](C)CC1 ZINC001229178555 1097272179 /nfs/dbraw/zinc/27/21/79/1097272179.db2.gz YBMUGWWEINGJTQ-ZDUSSCGKSA-N 1 0 306.362 3.051 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@]3(CCO3)C1)CC2 ZINC001172915256 1097279403 /nfs/dbraw/zinc/27/94/03/1097279403.db2.gz MSCAGJOUPWQFKU-FUHWJXTLSA-N 1 0 316.401 3.097 20 5 DGBDRO COCC[N@H+](C(C)C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172916898 1097279467 /nfs/dbraw/zinc/27/94/67/1097279467.db2.gz URLWRMYDGKAZDU-INIZCTEOSA-N 1 0 306.406 3.199 20 5 DGBDRO CC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919715 1097280925 /nfs/dbraw/zinc/28/09/25/1097280925.db2.gz HGASYRHFVVPJFW-SJLPKXTDSA-N 1 0 316.401 3.286 20 5 DGBDRO CCc1cc(Br)ccc1O[C@H](C)C[N+](C)(C)C ZINC001229593004 1097350762 /nfs/dbraw/zinc/35/07/62/1097350762.db2.gz RMWLGKQEMMTEDZ-LLVKDONJSA-N 1 0 301.248 3.485 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Br)ccc(F)c1F ZINC001229613774 1097353605 /nfs/dbraw/zinc/35/36/05/1097353605.db2.gz HXAPDIKYZHIZDG-QMMMGPOBSA-N 1 0 309.174 3.201 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccco2)c1F ZINC001173174961 1097356052 /nfs/dbraw/zinc/35/60/52/1097356052.db2.gz HMMCZKLZJOQNIN-JTQLQIEISA-N 1 0 308.309 3.056 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2C[C@H]2C2CC2)c1F ZINC001173186358 1097357588 /nfs/dbraw/zinc/35/75/88/1097357588.db2.gz RLZDCQNPDVZGNN-GAFUQQFSSA-N 1 0 308.353 3.062 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccoc2)c1F ZINC001173188069 1097358024 /nfs/dbraw/zinc/35/80/24/1097358024.db2.gz HZRHMMGGZQHQCA-JTQLQIEISA-N 1 0 308.309 3.056 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccoc2C)c1F ZINC001173190871 1097358073 /nfs/dbraw/zinc/35/80/73/1097358073.db2.gz ILFGLZLPYULMRM-JTQLQIEISA-N 1 0 322.336 3.365 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1ccccc1 ZINC001173217356 1097368869 /nfs/dbraw/zinc/36/88/69/1097368869.db2.gz ULGBDOKJYAXIEU-CQSZACIVSA-N 1 0 300.358 3.194 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOC1CCCCC1 ZINC001173220253 1097371277 /nfs/dbraw/zinc/37/12/77/1097371277.db2.gz WSPBFCJVQFPDBX-AWEZNQCLSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cc(O)ccc2C1 ZINC001173222492 1097373267 /nfs/dbraw/zinc/37/32/67/1097373267.db2.gz SEQNLKAYIPDJBU-ZDUSSCGKSA-N 1 0 312.369 3.290 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@](C)(O)CC1 ZINC001173226682 1097374545 /nfs/dbraw/zinc/37/45/45/1097374545.db2.gz NLPSTOZCALWHBR-CKEIUWERSA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001173225743 1097375233 /nfs/dbraw/zinc/37/52/33/1097375233.db2.gz FSLGCJYKQWPJMC-WMLDXEAASA-N 1 0 311.385 3.410 20 5 DGBDRO Cc1ccc(CCC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173231584 1097376893 /nfs/dbraw/zinc/37/68/93/1097376893.db2.gz BAIXRPVKXBIXIR-OAHLLOKOSA-N 1 0 313.401 3.452 20 5 DGBDRO Cc1cnc2c(c1)C[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173233827 1097378254 /nfs/dbraw/zinc/37/82/54/1097378254.db2.gz ZHNPZCTVOICJFO-CQSZACIVSA-N 1 0 311.385 3.288 20 5 DGBDRO CCOC(=O)CCCCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234886 1097378749 /nfs/dbraw/zinc/37/87/49/1097378749.db2.gz QPDNKFYOYQZGCD-AWEZNQCLSA-N 1 0 322.405 3.239 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC001173208691 1097380728 /nfs/dbraw/zinc/38/07/28/1097380728.db2.gz AOOLUVBQILQBEC-KBXCAEBGSA-N 1 0 314.385 3.023 20 5 DGBDRO Cc1cccc2ncc(C[NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)n21 ZINC001173212250 1097381234 /nfs/dbraw/zinc/38/12/34/1097381234.db2.gz YKZTZODBBPJJIN-ZDUSSCGKSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)c1ccc(F)cc1 ZINC001173213137 1097381303 /nfs/dbraw/zinc/38/13/03/1097381303.db2.gz FPOBOHRATAVHQT-LBPRGKRZSA-N 1 0 316.332 3.137 20 5 DGBDRO Cc1cc(C)c(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC001173210654 1097381312 /nfs/dbraw/zinc/38/13/12/1097381312.db2.gz MGZQFBXNOWLLIZ-LBPRGKRZSA-N 1 0 315.373 3.033 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c2ccccc2nc1CC[NH3+] ZINC001173212966 1097381707 /nfs/dbraw/zinc/38/17/07/1097381707.db2.gz DPDMOGRPOQOQJR-ZDUSSCGKSA-N 1 0 324.384 3.249 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H](O)c1ccccc1 ZINC001173214638 1097382460 /nfs/dbraw/zinc/38/24/60/1097382460.db2.gz DATBZMAWIRHHHD-KSSFIOAISA-N 1 0 314.385 3.239 20 5 DGBDRO CC(C)[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC001173238382 1097393735 /nfs/dbraw/zinc/39/37/35/1097393735.db2.gz QWOKDVNVRJSUKX-HNNXBMFYSA-N 1 0 319.449 3.330 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH+]3CCC2CC3)cc(C(F)(F)F)c1 ZINC001229832867 1097395563 /nfs/dbraw/zinc/39/55/63/1097395563.db2.gz VMLUBDOFNIBHCR-CYBMUJFWSA-N 1 0 316.279 3.087 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1F ZINC001229896229 1097407807 /nfs/dbraw/zinc/40/78/07/1097407807.db2.gz MVFOWDZGELLBJQ-ATCWAGBWSA-N 1 0 308.353 3.151 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)ccc(Br)c1F ZINC001230954159 1097630447 /nfs/dbraw/zinc/63/04/47/1097630447.db2.gz RRRRJXZQGYIZOF-MRVPVSSYSA-N 1 0 309.174 3.201 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)CC1 ZINC001231157174 1097684278 /nfs/dbraw/zinc/68/42/78/1097684278.db2.gz AMJUXDKXMHROTA-ZDUSSCGKSA-N 1 0 301.346 3.006 20 5 DGBDRO C[NH+]1CCN(c2cccc(Nc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC001174478166 1097740104 /nfs/dbraw/zinc/74/01/04/1097740104.db2.gz QHKUEDORNIDWRX-UHFFFAOYSA-N 1 0 312.373 3.090 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@H]4OCC[C@H]43)nc12 ZINC001232218690 1097969632 /nfs/dbraw/zinc/96/96/32/1097969632.db2.gz JZBKGOUCSHKJQJ-IAGOWNOFSA-N 1 0 305.381 3.146 20 5 DGBDRO C[C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)C[C@H](C)O1 ZINC001232219985 1097971292 /nfs/dbraw/zinc/97/12/92/1097971292.db2.gz ZTZJFLWFDBGWIB-OKILXGFUSA-N 1 0 307.397 3.392 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(CN3CC[NH+]4CCC3CC4)nc12 ZINC001232226729 1097975013 /nfs/dbraw/zinc/97/50/13/1097975013.db2.gz XXGWPEPGMZKNHF-UHFFFAOYSA-N 1 0 318.424 3.063 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC001175612880 1098120350 /nfs/dbraw/zinc/12/03/50/1098120350.db2.gz UWICUOSBYVLZSC-HNNXBMFYSA-N 1 0 306.410 3.002 20 5 DGBDRO COc1ccc2nccc(Nc3ccc(C=C[N+](=O)[O-])cc3)c2n1 ZINC001175900559 1098201341 /nfs/dbraw/zinc/20/13/41/1098201341.db2.gz AQUGNPHLCFCIKY-PKNBQFBNSA-N 1 0 322.324 3.051 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001176028377 1098235730 /nfs/dbraw/zinc/23/57/30/1098235730.db2.gz MGFFITMOLXCMTO-SNVBAGLBSA-N 1 0 319.292 3.493 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccnc1OCc1ccccc1 ZINC001233609718 1098388679 /nfs/dbraw/zinc/38/86/79/1098388679.db2.gz BRSMYJHRHIYSAC-HNNXBMFYSA-N 1 0 301.410 3.134 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cncc2ccc(Br)cc21 ZINC001233738064 1098419439 /nfs/dbraw/zinc/41/94/39/1098419439.db2.gz KQECHAPTWURCRA-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001176783347 1098429958 /nfs/dbraw/zinc/42/99/58/1098429958.db2.gz VBRBDJGHXJSOCQ-AWEZNQCLSA-N 1 0 319.405 3.496 20 5 DGBDRO CC[NH+]1CCC(Oc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001233837193 1098440315 /nfs/dbraw/zinc/44/03/15/1098440315.db2.gz XBUXATMICYCJGX-UHFFFAOYSA-N 1 0 301.346 3.006 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001233837127 1098440347 /nfs/dbraw/zinc/44/03/47/1098440347.db2.gz UYXDOEVESAEPLV-HDJSIYSDSA-N 1 0 315.373 3.395 20 5 DGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@]12CCC[C@H]1OCC2 ZINC001176992042 1098460925 /nfs/dbraw/zinc/46/09/25/1098460925.db2.gz WMJKUOSRZPDDPX-IAGOWNOFSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001233952006 1098465430 /nfs/dbraw/zinc/46/54/30/1098465430.db2.gz PTMSBPPOWHZMRS-CQSZACIVSA-O 1 0 323.457 3.185 20 5 DGBDRO c1cnc2c(c1)ccc1c(O[C@@H]3C[NH+]4CCC3CC4)ccnc12 ZINC001234087247 1098492363 /nfs/dbraw/zinc/49/23/63/1098492363.db2.gz MPZSLDKAFNPMEB-QGZVFWFLSA-N 1 0 305.381 3.256 20 5 DGBDRO C[NH+](C)CCCO[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001206296730 1098502433 /nfs/dbraw/zinc/50/24/33/1098502433.db2.gz PRXPARFOPULZDF-GFCCVEGCSA-N 1 0 306.284 3.167 20 5 DGBDRO CC[N@@H+]1CC[C@@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234364622 1098543959 /nfs/dbraw/zinc/54/39/59/1098543959.db2.gz UZZNAMAMVRWRHM-OAHLLOKOSA-N 1 0 319.405 3.058 20 5 DGBDRO CC(=O)c1c2ccccc2nc(C)c1O[C@H](C)C[N+](C)(C)C ZINC001234496113 1098570471 /nfs/dbraw/zinc/57/04/71/1098570471.db2.gz WUHQGSBAMWZGTD-GFCCVEGCSA-N 1 0 301.410 3.219 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001177896459 1098640219 /nfs/dbraw/zinc/64/02/19/1098640219.db2.gz CGFPJINSYBUJQU-UKRRQHHQSA-N 1 0 306.406 3.359 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001177896451 1098640857 /nfs/dbraw/zinc/64/08/57/1098640857.db2.gz CGFPJINSYBUJQU-DZGCQCFKSA-N 1 0 306.406 3.359 20 5 DGBDRO CC[NH+]1CCC(Oc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001234674283 1098640985 /nfs/dbraw/zinc/64/09/85/1098640985.db2.gz LSTNPVXXBMXPRR-UHFFFAOYSA-N 1 0 301.346 3.006 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1nccc2c1cccc2[N+](=O)[O-] ZINC001234674988 1098641459 /nfs/dbraw/zinc/64/14/59/1098641459.db2.gz VHXMLORGTMOQDB-LBPRGKRZSA-N 1 0 303.362 3.252 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2CN1C[C@H]2C[NH2+]C[C@@H](C1)O2 ZINC001235337896 1098963405 /nfs/dbraw/zinc/96/34/05/1098963405.db2.gz KXEFGINHRVOTSA-HDICACEKSA-N 1 0 318.420 3.166 20 5 DGBDRO CCC[C@@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)OC ZINC001180092945 1099292147 /nfs/dbraw/zinc/29/21/47/1099292147.db2.gz OIDGXINBKWHTPE-KRWDZBQOSA-N 1 0 322.405 3.253 20 5 DGBDRO COc1c(O)ccc(C[NH+](CC(C)C)CC(C)C)c1[N+](=O)[O-] ZINC001180372770 1099400192 /nfs/dbraw/zinc/40/01/92/1099400192.db2.gz XHSPVBITGLLGIF-UHFFFAOYSA-N 1 0 310.394 3.423 20 5 DGBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1C ZINC001193607022 1100783192 /nfs/dbraw/zinc/78/31/92/1100783192.db2.gz RWUGGEZWVYBNHT-UONOGXRCSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC001198071169 1101756418 /nfs/dbraw/zinc/75/64/18/1101756418.db2.gz GHLKQLUMFSWLMO-SFHVURJKSA-N 1 0 312.369 3.425 20 5 DGBDRO O=[N+]([O-])c1cc(O)cc(Nc2cc[nH+]c(N3CCCC3)c2)c1 ZINC001199818535 1102210989 /nfs/dbraw/zinc/21/09/89/1102210989.db2.gz CRPRYYKYWFCVAM-UHFFFAOYSA-N 1 0 300.318 3.039 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC001200942487 1102454108 /nfs/dbraw/zinc/45/41/08/1102454108.db2.gz SMCMXJJPPSHDIT-IRXDYDNUSA-N 1 0 322.405 3.024 20 5 DGBDRO CCCC(CN)(CCC)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246496695 1104564024 /nfs/dbraw/zinc/56/40/24/1104564024.db2.gz PLEZEOYKQGUBGH-AWEZNQCLSA-N 1 0 307.438 3.413 20 5 DGBDRO Cc1csc(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC001330778490 1104643134 /nfs/dbraw/zinc/64/31/34/1104643134.db2.gz NEDGGMXSSXQBGJ-UHFFFAOYSA-N 1 0 305.403 3.391 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001246650093 1104648080 /nfs/dbraw/zinc/64/80/80/1104648080.db2.gz GUTUZAMHGNTQSS-CRAIPNDOSA-N 1 0 317.433 3.134 20 5 DGBDRO N[C@@H](CC[NH3+])c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247829077 1104997619 /nfs/dbraw/zinc/99/76/19/1104997619.db2.gz HZYRFQIFQCISNF-KRWDZBQOSA-N 1 0 318.380 3.392 20 5 DGBDRO C[C@@]1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC[NH2+]1 ZINC001248725785 1105151629 /nfs/dbraw/zinc/15/16/29/1105151629.db2.gz PFCOUDMZPUVXOJ-SFHVURJKSA-N 1 0 317.352 3.042 20 5 DGBDRO C[NH+](C)Cc1ccc2[nH]c(Cc3ccccc3[N+](=O)[O-])nc2c1 ZINC001250616635 1105547759 /nfs/dbraw/zinc/54/77/59/1105547759.db2.gz SWXNDEZYTQTMLJ-UHFFFAOYSA-N 1 0 310.357 3.124 20 5 DGBDRO CC1(C)CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476528 1106077962 /nfs/dbraw/zinc/07/79/62/1106077962.db2.gz RRUDRPWDWLTUQC-UHFFFAOYSA-N 1 0 303.406 3.438 20 5 DGBDRO CC1(C)CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254478795 1106078636 /nfs/dbraw/zinc/07/86/36/1106078636.db2.gz JRGOEXUXSRPWAA-UHFFFAOYSA-N 1 0 303.406 3.296 20 5 DGBDRO COc1cccc(F)c1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538322 1106097857 /nfs/dbraw/zinc/09/78/57/1106097857.db2.gz RWIDZXSQHUTZOL-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C2CCOCC2)CC1 ZINC001254538007 1106097980 /nfs/dbraw/zinc/09/79/80/1106097980.db2.gz MFCHLIURRGMYAH-CYBMUJFWSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(C(N)=[NH2+])c1ccccc1F ZINC001254537952 1106098134 /nfs/dbraw/zinc/09/81/34/1106098134.db2.gz KPQSXWHUVJJCEJ-NSHDSACASA-N 1 0 316.336 3.065 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(F)c1C[NH3+] ZINC001254536870 1106098165 /nfs/dbraw/zinc/09/81/65/1106098165.db2.gz UUHNJZIFKAJSIN-NSHDSACASA-N 1 0 303.337 3.236 20 5 DGBDRO COc1cc(F)ccc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540997 1106098998 /nfs/dbraw/zinc/09/89/98/1106098998.db2.gz XWTQCCDXDCJPSM-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)c1cccc(F)c1 ZINC001254544812 1106099521 /nfs/dbraw/zinc/09/95/21/1106099521.db2.gz KYJZXZKCLFUFQJ-GFCCVEGCSA-N 1 0 316.332 3.137 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H](C[NH3+])c2ccccc21 ZINC001254543466 1106099662 /nfs/dbraw/zinc/09/96/62/1106099662.db2.gz SDGSDCKNZCPDHU-UKRRQHHQSA-N 1 0 311.385 3.088 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(c2ccccn2)CC1 ZINC001254544075 1106099764 /nfs/dbraw/zinc/09/97/64/1106099764.db2.gz UONHCHDHLFYVCS-CQSZACIVSA-N 1 0 311.385 3.242 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(C2CCC2)cn1 ZINC001254544559 1106099876 /nfs/dbraw/zinc/09/98/76/1106099876.db2.gz JYCNXCLRVGCEJS-CYBMUJFWSA-N 1 0 314.389 3.237 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1noc2ccccc21 ZINC001254549736 1106101448 /nfs/dbraw/zinc/10/14/48/1106101448.db2.gz YHGMCYFKNSKHFR-LBPRGKRZSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001254563071 1106104140 /nfs/dbraw/zinc/10/41/40/1106104140.db2.gz SPVQMIWGNYJMRU-WMLDXEAASA-N 1 0 311.385 3.410 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCOc2ccccc2C1 ZINC001254562493 1106104412 /nfs/dbraw/zinc/10/44/12/1106104412.db2.gz MJHYKHVALUDLRL-AWEZNQCLSA-N 1 0 312.369 3.420 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001254562360 1106104468 /nfs/dbraw/zinc/10/44/68/1106104468.db2.gz KXCDXWXAWKVNBR-GDBMZVCRSA-N 1 0 311.385 3.410 20 5 DGBDRO [NH3+]Cc1cn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc12 ZINC001254565721 1106104841 /nfs/dbraw/zinc/10/48/41/1106104841.db2.gz GDOPIAYEBCXIOL-INIZCTEOSA-N 1 0 307.353 3.348 20 5 DGBDRO CC(C)[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001254569678 1106105745 /nfs/dbraw/zinc/10/57/45/1106105745.db2.gz JSYYRMWZVJPBSI-AWEZNQCLSA-N 1 0 306.406 3.415 20 5 DGBDRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571903 1106106125 /nfs/dbraw/zinc/10/61/25/1106106125.db2.gz CYDLBYRGRAKQFF-IUODEOHRSA-N 1 0 312.369 3.421 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(F)c1F ZINC001254575145 1106106839 /nfs/dbraw/zinc/10/68/39/1106106839.db2.gz PAQSIZCHVPFIHG-CQSZACIVSA-N 1 0 318.323 3.438 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)C2 ZINC001254574526 1106106863 /nfs/dbraw/zinc/10/68/63/1106106863.db2.gz HZSOGLIZEGWILR-LBPRGKRZSA-N 1 0 322.286 3.269 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc3ccncc31)C2 ZINC001254577182 1106107733 /nfs/dbraw/zinc/10/77/33/1106107733.db2.gz CMCIQYSEHVXQLS-KRWDZBQOSA-N 1 0 319.364 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCc3c1cccc3F)C2 ZINC001254578069 1106107737 /nfs/dbraw/zinc/10/77/37/1106107737.db2.gz IVUOSRGHOZGDNI-SCLBCKFNSA-N 1 0 312.344 3.478 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(c3ccccc3)CC1)C2 ZINC001254580946 1106108559 /nfs/dbraw/zinc/10/85/59/1106108559.db2.gz ILKFQISGEICDQJ-QGZVFWFLSA-N 1 0 308.381 3.383 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(CC3CC3)CCOCC1)C2 ZINC001254588429 1106108940 /nfs/dbraw/zinc/10/89/40/1106108940.db2.gz YEAQDFZHUHNARD-INIZCTEOSA-N 1 0 316.401 3.001 20 5 DGBDRO CC(C)[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccncc1 ZINC001254599212 1106110727 /nfs/dbraw/zinc/11/07/27/1106110727.db2.gz MIAYDFRDYVSQEJ-SJLPKXTDSA-N 1 0 311.385 3.444 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCc3ccccc3CC1)C2 ZINC001254598655 1106110921 /nfs/dbraw/zinc/11/09/21/1106110921.db2.gz IYIYPHJQKQAZCR-LJQANCHMSA-N 1 0 308.381 3.163 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H]1c1ccccn1)C2 ZINC001254599007 1106110945 /nfs/dbraw/zinc/11/09/45/1106110945.db2.gz JEZMVANPPSKJPB-SJLPKXTDSA-N 1 0 309.369 3.294 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+](C1CCC1)C1CCOCC1)C2 ZINC001254611001 1106113281 /nfs/dbraw/zinc/11/32/81/1106113281.db2.gz NLGHROQMWFNXSJ-SFHVURJKSA-N 1 0 316.401 3.096 20 5 DGBDRO CC(C)(C)[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001320479856 1107018870 /nfs/dbraw/zinc/01/88/70/1107018870.db2.gz CNMOPKLXZRTOFH-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001262010427 1107572693 /nfs/dbraw/zinc/57/26/93/1107572693.db2.gz FDUALZWKQQMNKK-NWDGAFQWSA-N 1 0 318.295 3.271 20 5 DGBDRO CC1(C)CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC001322356138 1107646865 /nfs/dbraw/zinc/64/68/65/1107646865.db2.gz KFCUKJLZLFWONG-UHFFFAOYSA-N 1 0 316.361 3.265 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC001262731666 1107791987 /nfs/dbraw/zinc/79/19/87/1107791987.db2.gz AETAXRDTDOYUKT-JTQLQIEISA-N 1 0 323.422 3.132 20 5 DGBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC001263240455 1107983850 /nfs/dbraw/zinc/98/38/50/1107983850.db2.gz LMRMBBJMWNDRRG-KRWDZBQOSA-N 1 0 319.408 3.116 20 5 DGBDRO COc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC001319690772 1108594573 /nfs/dbraw/zinc/59/45/73/1108594573.db2.gz GUFWFVLHBMVULM-AAEUAGOBSA-N 1 0 311.357 3.027 20 5 DGBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2F)CCCCCC1 ZINC001306916685 1110263944 /nfs/dbraw/zinc/26/39/44/1110263944.db2.gz MUZCWARDRGBYDQ-UHFFFAOYSA-N 1 0 310.373 3.195 20 5 DGBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(C)C)n1)[NH+](C)C ZINC001306923978 1110264601 /nfs/dbraw/zinc/26/46/01/1110264601.db2.gz JRNAGKHBESLDHQ-ZDUSSCGKSA-N 1 0 324.425 3.165 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001306981803 1111257712 /nfs/dbraw/zinc/25/77/12/1111257712.db2.gz JJAKUUGVAMSROH-ZDUSSCGKSA-N 1 0 307.369 3.410 20 5 DGBDRO Cc1ccc(NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001307175157 1111274551 /nfs/dbraw/zinc/27/45/51/1111274551.db2.gz WGFLDPVCNZJCJQ-UHFFFAOYSA-N 1 0 303.406 3.437 20 5 DGBDRO CC[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001307493087 1111305137 /nfs/dbraw/zinc/30/51/37/1111305137.db2.gz HBJNDKAQKJUVSU-SUMWQHHRSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001307563501 1111314537 /nfs/dbraw/zinc/31/45/37/1111314537.db2.gz NLHNPTPWAVWLBI-ZIAGYGMSSA-N 1 0 319.405 3.434 20 5 DGBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC001307777859 1111338917 /nfs/dbraw/zinc/33/89/17/1111338917.db2.gz FEPXWVWAUFSSTJ-HIFRSBDPSA-N 1 0 314.332 3.166 20 5 DGBDRO CC[C@@H](C(=O)OC(C)(C)C)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC001307893690 1111352498 /nfs/dbraw/zinc/35/24/98/1111352498.db2.gz VCCYTBDSWQXLTK-HNNXBMFYSA-N 1 0 322.405 3.189 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cccc2nccn21)c1ccccc1[N+](=O)[O-] ZINC001308534605 1111439552 /nfs/dbraw/zinc/43/95/52/1111439552.db2.gz FFASJMYGBKWFLF-ZDUSSCGKSA-N 1 0 310.357 3.136 20 5 DGBDRO COc1cccnc1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001308818818 1111479158 /nfs/dbraw/zinc/47/91/58/1111479158.db2.gz JXHBWFUPCWPHIS-LCYFTJDESA-N 1 0 313.357 3.192 20 5 DGBDRO CC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000233453949 546277775 /nfs/dbraw/zinc/27/77/75/546277775.db2.gz LSIAPHYWNUWTIG-UHFFFAOYSA-N 1 0 316.199 3.029 20 5 DGBDRO Cn1cc(C[NH2+][C@H]2CC=CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000076771267 185040068 /nfs/dbraw/zinc/04/00/68/185040068.db2.gz NPFOLNYUVJAJHS-HNNXBMFYSA-N 1 0 312.373 3.194 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CCSC3)CC2)cc1 ZINC000278503862 214197632 /nfs/dbraw/zinc/19/76/32/214197632.db2.gz VZGMYJYAYOOFAX-ZDUSSCGKSA-N 1 0 322.430 3.191 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000278634711 214291603 /nfs/dbraw/zinc/29/16/03/214291603.db2.gz FSMQAOYNYLGDTB-SKDRFNHKSA-N 1 0 318.295 3.271 20 5 DGBDRO Cc1ncc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000414180592 282154355 /nfs/dbraw/zinc/15/43/55/282154355.db2.gz LPAHLEUIQVJCMV-HNNXBMFYSA-N 1 0 301.346 3.002 20 5 DGBDRO CN(C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000021800888 282180417 /nfs/dbraw/zinc/18/04/17/282180417.db2.gz CVMCTGQBYWMAAP-AWEZNQCLSA-N 1 0 305.403 3.049 20 5 DGBDRO CC[C@H](NC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000295922062 529480316 /nfs/dbraw/zinc/48/03/16/529480316.db2.gz AEXCVJCEDWJQGS-MAZHCROVSA-N 1 0 319.405 3.070 20 5 DGBDRO C[NH+](C)C(C)(C)CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834379 185232811 /nfs/dbraw/zinc/23/28/11/185232811.db2.gz XLINCXDGLPOZPJ-UHFFFAOYSA-N 1 0 316.199 3.109 20 5 DGBDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000092643817 185330741 /nfs/dbraw/zinc/33/07/41/185330741.db2.gz GOOVQLBHMJAWHI-AWEZNQCLSA-N 1 0 320.389 3.103 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000064020644 432007596 /nfs/dbraw/zinc/00/75/96/432007596.db2.gz OSBMVJMSYFVRDZ-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000286656497 219106855 /nfs/dbraw/zinc/10/68/55/219106855.db2.gz UKXDEVBSDSPWTM-BOOVAVIHSA-N 1 0 322.792 3.103 20 5 DGBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000279665849 215044440 /nfs/dbraw/zinc/04/44/40/215044440.db2.gz DXSAFBVLNYUAIQ-DYVFJYSZSA-N 1 0 300.358 3.461 20 5 DGBDRO Cc1ncsc1C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000066562542 432018214 /nfs/dbraw/zinc/01/82/14/432018214.db2.gz ZRUSCJXDDKJFEA-UHFFFAOYSA-N 1 0 321.402 3.261 20 5 DGBDRO Cc1nn(C)cc1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272635792 210037483 /nfs/dbraw/zinc/03/74/83/210037483.db2.gz NQYSIJJXUWPERK-JTQLQIEISA-N 1 0 322.796 3.183 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000286904526 219219281 /nfs/dbraw/zinc/21/92/81/219219281.db2.gz DRHMFRLWAFRCSX-WBVHZDCISA-N 1 0 316.401 3.242 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000130354277 432021912 /nfs/dbraw/zinc/02/19/12/432021912.db2.gz POOOWVXLTUGVPN-PBHICJAKSA-N 1 0 314.385 3.157 20 5 DGBDRO CC(C)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130359529 432022310 /nfs/dbraw/zinc/02/23/10/432022310.db2.gz OVFWMWNXQRIHBB-CYBMUJFWSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000071270328 190950527 /nfs/dbraw/zinc/95/05/27/190950527.db2.gz TYCXBAACDCBLKS-LLVKDONJSA-N 1 0 306.387 3.386 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC1(C)C ZINC000191842501 186262410 /nfs/dbraw/zinc/26/24/10/186262410.db2.gz RAVYFYXJPBDRNG-CQSZACIVSA-N 1 0 305.378 3.010 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000268758609 186381817 /nfs/dbraw/zinc/38/18/17/186381817.db2.gz MNMOUHCFEMAMIN-BDJLRTHQSA-N 1 0 304.321 3.118 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000171948353 198013437 /nfs/dbraw/zinc/01/34/37/198013437.db2.gz MUKPKXGQSIJRRN-LLVKDONJSA-N 1 0 304.350 3.123 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000107071335 432027541 /nfs/dbraw/zinc/02/75/41/432027541.db2.gz WTYCYUDNFDSHIM-CHWSQXEVSA-N 1 0 313.357 3.273 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3O)s2)cc1 ZINC000172632419 198128946 /nfs/dbraw/zinc/12/89/46/198128946.db2.gz YGPVWQHRTHLXLO-GJZGRUSLSA-N 1 0 318.398 3.326 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277161873 213336954 /nfs/dbraw/zinc/33/69/54/213336954.db2.gz KFTCRDBLZFQTHG-HUUCEWRRSA-N 1 0 305.422 3.380 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000072726236 191223816 /nfs/dbraw/zinc/22/38/16/191223816.db2.gz UEIWZGHBKMLWFI-INIZCTEOSA-N 1 0 315.373 3.115 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H]1C ZINC000072875165 191247293 /nfs/dbraw/zinc/24/72/93/191247293.db2.gz JTWGGZOIRVTREN-QWRGUYRKSA-N 1 0 302.334 3.190 20 5 DGBDRO CCOC[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000072975484 191260764 /nfs/dbraw/zinc/26/07/64/191260764.db2.gz WCNUTRRVMKQFSN-HNNXBMFYSA-N 1 0 322.405 3.112 20 5 DGBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173403220 198211560 /nfs/dbraw/zinc/21/15/60/198211560.db2.gz UDKXYSLRWAIJBA-NEPJUHHUSA-N 1 0 308.378 3.366 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CCCCO3)CC2)cc1 ZINC000174246955 198309728 /nfs/dbraw/zinc/30/97/28/198309728.db2.gz NNWHNYOLPBLJGQ-KRWDZBQOSA-N 1 0 320.389 3.007 20 5 DGBDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174881986 198396842 /nfs/dbraw/zinc/39/68/42/198396842.db2.gz DDHWJIXXUJFYLQ-WFASDCNBSA-N 1 0 318.377 3.166 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1nccs1 ZINC000179067836 432037759 /nfs/dbraw/zinc/03/77/59/432037759.db2.gz MMJSHDVKTQHYKA-UHFFFAOYSA-N 1 0 321.402 3.125 20 5 DGBDRO Cc1ccc([C@H](C)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000236820863 202024641 /nfs/dbraw/zinc/02/46/41/202024641.db2.gz XNBPJUBCXRMBBJ-AWEZNQCLSA-N 1 0 305.422 3.427 20 5 DGBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000067948559 432047014 /nfs/dbraw/zinc/04/70/14/432047014.db2.gz QNOKHVIIBJNRNE-MRXNPFEDSA-N 1 0 315.373 3.318 20 5 DGBDRO CCCC[N@H+](CC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000132626074 432051917 /nfs/dbraw/zinc/05/19/17/432051917.db2.gz MSDOCOBWJSOACD-UHFFFAOYSA-N 1 0 323.393 3.054 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN(Cc1cnn2ccccc12)C1CC1 ZINC000179318706 432053779 /nfs/dbraw/zinc/05/37/79/432053779.db2.gz SSSPXXMSKBORIM-UHFFFAOYSA-N 1 0 322.368 3.407 20 5 DGBDRO Cc1cccn2c(CN(C)Cc3ccccc3[N+](=O)[O-])cnc12 ZINC000179316087 432054034 /nfs/dbraw/zinc/05/40/34/432054034.db2.gz JNNCPJCPXHUBIL-UHFFFAOYSA-N 1 0 310.357 3.183 20 5 DGBDRO CCN(CC)[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccco1 ZINC000236853850 202038550 /nfs/dbraw/zinc/03/85/50/202038550.db2.gz MKDIZGHXVOBUJP-ZDUSSCGKSA-N 1 0 323.418 3.422 20 5 DGBDRO C[NH+]1CCC(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000237169474 202175085 /nfs/dbraw/zinc/17/50/85/202175085.db2.gz LYPAFNDPGPPDSW-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)c1ccccc1 ZINC000237192718 202182111 /nfs/dbraw/zinc/18/21/11/202182111.db2.gz BPJTUCZQONEYCG-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000179750706 199076286 /nfs/dbraw/zinc/07/62/86/199076286.db2.gz WUEZOBDPDISNTR-SFHVURJKSA-N 1 0 314.385 3.241 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCn2ccnc2)c2ccccc2)c1 ZINC000179991816 432075301 /nfs/dbraw/zinc/07/53/01/432075301.db2.gz KJDHPIAWGHIPEN-SFHVURJKSA-N 1 0 322.368 3.171 20 5 DGBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000180438320 199159297 /nfs/dbraw/zinc/15/92/97/199159297.db2.gz WFOLEFNXAWGVNY-JTQLQIEISA-N 1 0 320.370 3.294 20 5 DGBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180855497 199218640 /nfs/dbraw/zinc/21/86/40/199218640.db2.gz TYYKGGJQOJHHKN-OCCSQVGLSA-N 1 0 316.357 3.058 20 5 DGBDRO [NH3+]C1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000051693908 283413267 /nfs/dbraw/zinc/41/32/67/283413267.db2.gz YWCDIGDRZDKXOF-UHFFFAOYSA-N 1 0 303.284 3.295 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000186969067 200039812 /nfs/dbraw/zinc/03/98/12/200039812.db2.gz PNFGCNYBOVPDOA-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO C[C@H]1CCCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000187975056 200185720 /nfs/dbraw/zinc/18/57/20/200185720.db2.gz CGGCEJQCGPAQLU-LBPRGKRZSA-N 1 0 316.361 3.267 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H](C)C1 ZINC000187981729 200186351 /nfs/dbraw/zinc/18/63/51/200186351.db2.gz NYENOTZJLGEYBF-CYBMUJFWSA-N 1 0 319.405 3.354 20 5 DGBDRO C[C@H](CO)CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310860 237610733 /nfs/dbraw/zinc/61/07/33/237610733.db2.gz MVGBESQVDNUTGA-GUYCJALGSA-N 1 0 306.406 3.361 20 5 DGBDRO Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420268196 237693314 /nfs/dbraw/zinc/69/33/14/237693314.db2.gz HFZFNHFKYCRNIG-VHSXEESVSA-N 1 0 317.311 3.461 20 5 DGBDRO C[NH+](C)C1CCC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000420626993 237704683 /nfs/dbraw/zinc/70/46/83/237704683.db2.gz NAHITGZNAWGKSQ-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3cccnc3CC2)c1 ZINC000421833513 237767099 /nfs/dbraw/zinc/76/70/99/237767099.db2.gz ITZHKYKSJNUYGX-MRXNPFEDSA-N 1 0 311.385 3.070 20 5 DGBDRO O=[N+]([O-])c1cccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134918912 432089332 /nfs/dbraw/zinc/08/93/32/432089332.db2.gz VWFMVXIRXDYJLF-QAPCUYQASA-N 1 0 315.417 3.044 20 5 DGBDRO CC(C)(O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180515004 432089339 /nfs/dbraw/zinc/08/93/39/432089339.db2.gz QIARXKFYAQRIAI-MRXNPFEDSA-N 1 0 300.358 3.045 20 5 DGBDRO CC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089883506 192893263 /nfs/dbraw/zinc/89/32/63/192893263.db2.gz GNJYIPAQCRXEEF-UHFFFAOYSA-N 1 0 301.346 3.482 20 5 DGBDRO Cc1cccc2c1C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000429559971 238054766 /nfs/dbraw/zinc/05/47/66/238054766.db2.gz ITHUOYVIVBXRNW-UHFFFAOYSA-N 1 0 312.369 3.340 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429582109 238055634 /nfs/dbraw/zinc/05/56/34/238055634.db2.gz ZIRYYWWVSXIZHU-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1cc(Cl)cn1C ZINC000430218006 238071564 /nfs/dbraw/zinc/07/15/64/238071564.db2.gz KVBBVDBXQCBYQV-UHFFFAOYSA-N 1 0 323.780 3.227 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000429703630 238058611 /nfs/dbraw/zinc/05/86/11/238058611.db2.gz RTYNRGPJXFVANK-IUIKQTSFSA-N 1 0 320.364 3.171 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1Cc2ccccc2C1 ZINC000430229784 238071668 /nfs/dbraw/zinc/07/16/68/238071668.db2.gz UCXLAEHGEUBLKP-UHFFFAOYSA-N 1 0 312.369 3.203 20 5 DGBDRO CSC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000433091752 238146591 /nfs/dbraw/zinc/14/65/91/238146591.db2.gz OUZCPIKKJPHPOX-STQMWFEESA-N 1 0 324.450 3.150 20 5 DGBDRO CC[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000193024388 200979127 /nfs/dbraw/zinc/97/91/27/200979127.db2.gz BWKSWRKWZCPSBV-IRXDYDNUSA-N 1 0 322.405 3.221 20 5 DGBDRO CC[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000193024402 200979251 /nfs/dbraw/zinc/97/92/51/200979251.db2.gz BWKSWRKWZCPSBV-DLBZAZTESA-N 1 0 322.405 3.221 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)CCC2 ZINC000193319116 201028531 /nfs/dbraw/zinc/02/85/31/201028531.db2.gz YQHMBQSDNUWXKG-XOKHGSTOSA-N 1 0 304.390 3.113 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000193333753 201032114 /nfs/dbraw/zinc/03/21/14/201032114.db2.gz JWNHKPDDMBZVPN-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000194006527 201160620 /nfs/dbraw/zinc/16/06/20/201160620.db2.gz LKXYIMLSAHNRTP-RISCZKNCSA-N 1 0 305.378 3.010 20 5 DGBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000194416314 201222998 /nfs/dbraw/zinc/22/29/98/201222998.db2.gz MTRPQRQPCLLWGG-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000090800201 192936086 /nfs/dbraw/zinc/93/60/86/192936086.db2.gz GOINVUTZYIYXEZ-LYAPFXNSSA-N 1 0 318.417 3.199 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C(C)C)C1 ZINC000444748422 239345528 /nfs/dbraw/zinc/34/55/28/239345528.db2.gz JMMUOCVSUJPGRU-AWEZNQCLSA-N 1 0 319.405 3.210 20 5 DGBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000246213795 202573245 /nfs/dbraw/zinc/57/32/45/202573245.db2.gz YFDGLQJLNRAPAO-UMVBOHGHSA-N 1 0 317.389 3.186 20 5 DGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCC1 ZINC000275465065 212351451 /nfs/dbraw/zinc/35/14/51/212351451.db2.gz NHCKYSDOLCGQES-UHFFFAOYSA-N 1 0 315.320 3.092 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449058708 239995321 /nfs/dbraw/zinc/99/53/21/239995321.db2.gz LLOUKQYSKFHCQB-ZDUSSCGKSA-N 1 0 316.405 3.019 20 5 DGBDRO CCc1nc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449112791 240024300 /nfs/dbraw/zinc/02/43/00/240024300.db2.gz SRWTVYYXJHODSQ-GFCCVEGCSA-N 1 0 319.430 3.377 20 5 DGBDRO CCc1nc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449122971 240028166 /nfs/dbraw/zinc/02/81/66/240028166.db2.gz MTDOGPBGTXUTQS-NSHDSACASA-N 1 0 305.403 3.335 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000449156928 240042139 /nfs/dbraw/zinc/04/21/39/240042139.db2.gz UCRARKOOJYDPGK-IAOVAPTHSA-N 1 0 318.417 3.463 20 5 DGBDRO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449172454 240050314 /nfs/dbraw/zinc/05/03/14/240050314.db2.gz MFJHLWCLAAYOAI-UNEWFSDZSA-N 1 0 306.406 3.177 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449181823 240054305 /nfs/dbraw/zinc/05/43/05/240054305.db2.gz BJRRGWCZCLLMBU-DZGCQCFKSA-N 1 0 304.390 3.217 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000449233887 240082035 /nfs/dbraw/zinc/08/20/35/240082035.db2.gz NTSBAXRHHPDNNI-RYUDHWBXSA-N 1 0 303.337 3.411 20 5 DGBDRO CO[C@@H](CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000449269126 240101524 /nfs/dbraw/zinc/10/15/24/240101524.db2.gz LXPQGDAJMBOLLP-MFKMUULPSA-N 1 0 320.311 3.083 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000449277554 240103886 /nfs/dbraw/zinc/10/38/86/240103886.db2.gz GDBISJCTDMWRAU-KBXCAEBGSA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000449303041 240121701 /nfs/dbraw/zinc/12/17/01/240121701.db2.gz LSNOISZECYOFEE-RDBSUJKOSA-N 1 0 306.406 3.319 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000449313230 240124896 /nfs/dbraw/zinc/12/48/96/240124896.db2.gz OGXOASLIUAVUMC-ZDUSSCGKSA-N 1 0 324.384 3.234 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H]1CCCCO1 ZINC000449243341 240087038 /nfs/dbraw/zinc/08/70/38/240087038.db2.gz KEASJFWZSCHODF-GDBMZVCRSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000449250307 240090135 /nfs/dbraw/zinc/09/01/35/240090135.db2.gz NVDGPNKRCAOACQ-IAQYHMDHSA-N 1 0 316.332 3.388 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000449343392 240143873 /nfs/dbraw/zinc/14/38/73/240143873.db2.gz KALCTQPUWTWOGY-DYVFJYSZSA-N 1 0 306.406 3.057 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)CO ZINC000449412075 240184487 /nfs/dbraw/zinc/18/44/87/240184487.db2.gz BAPIWWVUOPRBBN-UHFFFAOYSA-N 1 0 318.373 3.305 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OCC)[C@@H](C)C1 ZINC000449495974 240246180 /nfs/dbraw/zinc/24/61/80/240246180.db2.gz PDQOAIBGEHCSOV-XJKSGUPXSA-N 1 0 322.405 3.240 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000449497820 240248547 /nfs/dbraw/zinc/24/85/47/240248547.db2.gz ARHSSGMVKQJYLP-ZBFHGGJFSA-N 1 0 324.808 3.135 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000449474010 240228695 /nfs/dbraw/zinc/22/86/95/240228695.db2.gz RHDOMGQRRTZGBH-SFCZWKTKSA-N 1 0 316.401 3.233 20 5 DGBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449482529 240236881 /nfs/dbraw/zinc/23/68/81/240236881.db2.gz BZXKFQRMQSYSOY-ZJUUUORDSA-N 1 0 300.305 3.332 20 5 DGBDRO CO[C@@](C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000449485385 240237265 /nfs/dbraw/zinc/23/72/65/240237265.db2.gz QCUAAQILRWIJEI-HNNXBMFYSA-N 1 0 306.387 3.308 20 5 DGBDRO CCO[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449493521 240243202 /nfs/dbraw/zinc/24/32/02/240243202.db2.gz LOOXNOSRSGQVKM-HFNVYPAOSA-N 1 0 304.390 3.355 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000449579522 240302457 /nfs/dbraw/zinc/30/24/57/240302457.db2.gz GYBBEBUXTFGGPT-GDBMZVCRSA-N 1 0 318.417 3.058 20 5 DGBDRO CO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000449631312 240331404 /nfs/dbraw/zinc/33/14/04/240331404.db2.gz KHHGQSBKKVKSAN-GJZGRUSLSA-N 1 0 308.353 3.123 20 5 DGBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449639770 240339576 /nfs/dbraw/zinc/33/95/76/240339576.db2.gz QNVBOGNOTIXQCX-GOEBONIOSA-N 1 0 318.373 3.494 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CO ZINC000449708274 240378249 /nfs/dbraw/zinc/37/82/49/240378249.db2.gz GKBXEMYAUCFBLZ-IWCQGFGOSA-N 1 0 318.417 3.057 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)C3CCC3)o2)cc1 ZINC000449740825 240394396 /nfs/dbraw/zinc/39/43/96/240394396.db2.gz RDFQGAHFCAMHBV-INIZCTEOSA-N 1 0 316.357 3.105 20 5 DGBDRO CC(C)N(C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000079309395 283878063 /nfs/dbraw/zinc/87/80/63/283878063.db2.gz MKHPIAOLLFCRGX-UONOGXRCSA-N 1 0 321.421 3.279 20 5 DGBDRO COc1ccccc1OCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451107890 241008776 /nfs/dbraw/zinc/00/87/76/241008776.db2.gz UOUHCAVCGVUYCM-ZDUSSCGKSA-N 1 0 316.357 3.333 20 5 DGBDRO CCC1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCC1 ZINC000451270098 241066647 /nfs/dbraw/zinc/06/66/47/241066647.db2.gz BIJBSPBKLYMURL-UHFFFAOYSA-N 1 0 305.378 3.154 20 5 DGBDRO CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000451551554 241170605 /nfs/dbraw/zinc/17/06/05/241170605.db2.gz WKTIDLSDQACJBT-CZUORRHYSA-N 1 0 322.405 3.239 20 5 DGBDRO CCn1cc([C@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000451885760 241264342 /nfs/dbraw/zinc/26/43/42/241264342.db2.gz FQXWBJDUURTJDN-JTQLQIEISA-N 1 0 308.769 3.315 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000451956895 241283270 /nfs/dbraw/zinc/28/32/70/241283270.db2.gz DMLZVQLOQRUODV-MRXNPFEDSA-N 1 0 322.430 3.193 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000451971209 241287706 /nfs/dbraw/zinc/28/77/06/241287706.db2.gz ZMUUFGQPUJDQIC-MRXNPFEDSA-N 1 0 322.430 3.193 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000271791522 209218906 /nfs/dbraw/zinc/21/89/06/209218906.db2.gz WSQWNSIKWDZNRM-HIFRSBDPSA-N 1 0 320.389 3.240 20 5 DGBDRO CCOc1cc(N2CC[C@@H](C[NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000092658482 284007849 /nfs/dbraw/zinc/00/78/49/284007849.db2.gz IAORPLCHKMNMKF-AWEZNQCLSA-N 1 0 321.421 3.162 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C2CC2)CC1 ZINC000468631204 244056695 /nfs/dbraw/zinc/05/66/95/244056695.db2.gz KHHHHMDIWIWVCL-KAMYIIQDSA-N 1 0 315.417 3.215 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C)CCOCC1 ZINC000468610850 244056902 /nfs/dbraw/zinc/05/69/02/244056902.db2.gz JTUUDLCRPBKSKI-GXDHUFHOSA-N 1 0 304.390 3.404 20 5 DGBDRO CC[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000468626691 244057451 /nfs/dbraw/zinc/05/74/51/244057451.db2.gz HYKPPCANZLLOGX-GSPCDJLXSA-N 1 0 317.433 3.462 20 5 DGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1F)Cc1ccc(F)cc1 ZINC000468507962 244047373 /nfs/dbraw/zinc/04/73/73/244047373.db2.gz QGRKIJKGLBOWRI-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO CCC1(CO)CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470177407 244157623 /nfs/dbraw/zinc/15/76/23/244157623.db2.gz COJSPHDWBPUOBO-PTNGSMBKSA-N 1 0 318.417 3.483 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534332 193266288 /nfs/dbraw/zinc/26/62/88/193266288.db2.gz RIKAHUHQXUQDRV-GFCCVEGCSA-N 1 0 318.402 3.046 20 5 DGBDRO C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000121589054 284201575 /nfs/dbraw/zinc/20/15/75/284201575.db2.gz OCSVCWIXAOCZHP-CABCVRRESA-N 1 0 305.422 3.367 20 5 DGBDRO CCOc1cc(NC[C@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000486428818 244968138 /nfs/dbraw/zinc/96/81/38/244968138.db2.gz AOKKWWXIXFZQQT-AWEZNQCLSA-N 1 0 309.410 3.382 20 5 DGBDRO CC(C)[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000122146313 284214085 /nfs/dbraw/zinc/21/40/85/284214085.db2.gz RFAIQIICTUQSQE-WMLDXEAASA-N 1 0 305.422 3.366 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cccnc2)cc(C(F)(F)F)c1 ZINC000487201469 245034951 /nfs/dbraw/zinc/03/49/51/245034951.db2.gz QUXMPKLBFOGNGI-UHFFFAOYSA-N 1 0 311.263 3.298 20 5 DGBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000487516161 245067532 /nfs/dbraw/zinc/06/75/32/245067532.db2.gz FUIGCOKCCMAWHE-BETUJISGSA-N 1 0 315.373 3.037 20 5 DGBDRO Cc1cnc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000122860394 284227236 /nfs/dbraw/zinc/22/72/36/284227236.db2.gz XHUHMNAVOIZYBX-CQSZACIVSA-N 1 0 317.414 3.471 20 5 DGBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCC[C@H]1C ZINC000488038943 245139306 /nfs/dbraw/zinc/13/93/06/245139306.db2.gz IGUWXFUAMXOXSF-CZUORRHYSA-N 1 0 322.405 3.240 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488718917 245221744 /nfs/dbraw/zinc/22/17/44/245221744.db2.gz HNQQUWRRCIVKNQ-IVMMDQJWSA-N 1 0 303.406 3.070 20 5 DGBDRO COC1(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000293629934 223627612 /nfs/dbraw/zinc/62/76/12/223627612.db2.gz GJPQIVRSNAENDE-MRXNPFEDSA-N 1 0 318.417 3.465 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282697739 217184212 /nfs/dbraw/zinc/18/42/12/217184212.db2.gz OPUCVPKDODXSKG-CYBMUJFWSA-N 1 0 305.378 3.188 20 5 DGBDRO COc1cc(NC[C@@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000266123211 205115819 /nfs/dbraw/zinc/11/58/19/205115819.db2.gz AOGBDGFXMBYRLN-AWEZNQCLSA-N 1 0 321.402 3.380 20 5 DGBDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000266636142 205494378 /nfs/dbraw/zinc/49/43/78/205494378.db2.gz WBFXWNBYKNRBNP-QGZVFWFLSA-N 1 0 300.358 3.035 20 5 DGBDRO CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000018063047 182091392 /nfs/dbraw/zinc/09/13/92/182091392.db2.gz QNSNWEMZMSSENN-UHFFFAOYSA-N 1 0 322.365 3.037 20 5 DGBDRO CCC(O)(CC)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129984902 284428841 /nfs/dbraw/zinc/42/88/41/284428841.db2.gz BLBDYEYBBVQGBF-GOEBONIOSA-N 1 0 320.433 3.447 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccccc3)CCCCC2)n1 ZINC000130304276 284438564 /nfs/dbraw/zinc/43/85/64/284438564.db2.gz PWKIOSLWASNWQH-UHFFFAOYSA-N 1 0 314.389 3.241 20 5 DGBDRO COc1ccc(OC)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000267470432 206089786 /nfs/dbraw/zinc/08/97/86/206089786.db2.gz XNVYNOYKMDGJRK-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO COC[C@@H]1CCCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494634733 246174041 /nfs/dbraw/zinc/17/40/41/246174041.db2.gz IHHXELCZXNCZLW-GFCCVEGCSA-N 1 0 312.797 3.497 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000023991314 182371288 /nfs/dbraw/zinc/37/12/88/182371288.db2.gz YJHTVKJUNUQFQE-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO CC(=O)NC1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000268816633 432140258 /nfs/dbraw/zinc/14/02/58/432140258.db2.gz FSWBCSBEMSITCX-LRVUVFPRSA-N 1 0 319.405 3.001 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(F)c(F)cc2F)cc1 ZINC000136050130 432144224 /nfs/dbraw/zinc/14/42/24/432144224.db2.gz OIOZPFLLAGZUNV-UHFFFAOYSA-N 1 0 310.275 3.344 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccccc1CO)c1cccc([N+](=O)[O-])c1 ZINC000151800328 284582018 /nfs/dbraw/zinc/58/20/18/284582018.db2.gz FIAROMGJKKLVGB-KRWDZBQOSA-N 1 0 300.358 3.328 20 5 DGBDRO CC(C)Cn1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000181801076 432145273 /nfs/dbraw/zinc/14/52/73/432145273.db2.gz JHTIPKNMXLFRRJ-UHFFFAOYSA-N 1 0 316.405 3.472 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000268886201 432146362 /nfs/dbraw/zinc/14/63/62/432146362.db2.gz ILNVCUKXFSWFLD-LLVKDONJSA-N 1 0 319.327 3.048 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268963609 432149436 /nfs/dbraw/zinc/14/94/36/432149436.db2.gz JPLSSWHYZACFRP-ZDUSSCGKSA-N 1 0 310.781 3.440 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000268268889 206596382 /nfs/dbraw/zinc/59/63/82/206596382.db2.gz MNVJLUNIBFLBFD-GDBMZVCRSA-N 1 0 316.357 3.276 20 5 DGBDRO CCOc1cccc(NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000273865095 211124667 /nfs/dbraw/zinc/12/46/67/211124667.db2.gz NDAZGTMRWLZKBV-UHFFFAOYSA-N 1 0 307.394 3.278 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000106469577 194218770 /nfs/dbraw/zinc/21/87/70/194218770.db2.gz WLOARXXBWKCNIO-LLVKDONJSA-N 1 0 302.330 3.160 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccnc(Cl)c1 ZINC000285197463 218329609 /nfs/dbraw/zinc/32/96/09/218329609.db2.gz CUCAOOWYBVYRNP-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285248605 218350939 /nfs/dbraw/zinc/35/09/39/218350939.db2.gz PVCKOUZOPLQWCJ-RBOXIYTFSA-N 1 0 321.421 3.421 20 5 DGBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000109781044 194285996 /nfs/dbraw/zinc/28/59/96/194285996.db2.gz XRLJZUQKVAXZBE-ZDUSSCGKSA-N 1 0 316.357 3.372 20 5 DGBDRO CCC[C@@](C)(O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268906394 207075203 /nfs/dbraw/zinc/07/52/03/207075203.db2.gz RMBRPXPZSGUHQI-NVXWUHKLSA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000268918472 207084830 /nfs/dbraw/zinc/08/48/30/207084830.db2.gz OHAVPKBNZPXSQZ-LLVKDONJSA-N 1 0 319.327 3.048 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000269001310 207155111 /nfs/dbraw/zinc/15/51/11/207155111.db2.gz PGRFHKPUGPYLRO-SWLSCSKDSA-N 1 0 304.346 3.189 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000246459165 284899002 /nfs/dbraw/zinc/89/90/02/284899002.db2.gz VTHJVRATPABGFD-RDBSUJKOSA-N 1 0 317.389 3.044 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(C2)CCOCC3)ccc1Cl ZINC000269054692 207203822 /nfs/dbraw/zinc/20/38/22/207203822.db2.gz VXUVEIXASPEFPA-UHFFFAOYSA-N 1 0 310.781 3.251 20 5 DGBDRO CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351291 184231703 /nfs/dbraw/zinc/23/17/03/184231703.db2.gz IFDQKEAQOWLFIH-QGZVFWFLSA-N 1 0 300.358 3.150 20 5 DGBDRO C[NH2+][C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435374166 532970956 /nfs/dbraw/zinc/97/09/56/532970956.db2.gz WOECTJMNOUGBDL-GFCCVEGCSA-N 1 0 317.414 3.117 20 5 DGBDRO O=C(CC[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000177573841 252720533 /nfs/dbraw/zinc/72/05/33/252720533.db2.gz HUNAFENRMXOYMH-KBPBESRZSA-N 1 0 317.389 3.045 20 5 DGBDRO CC1(C)C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C(C)(C)O1 ZINC000119896257 195058051 /nfs/dbraw/zinc/05/80/51/195058051.db2.gz NJAPZWLMUITWNL-ZDUSSCGKSA-N 1 0 319.361 3.172 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332669616 252926115 /nfs/dbraw/zinc/92/61/15/252926115.db2.gz DTNYVGWDBZTWAI-AFAVFJNCSA-N 1 0 306.406 3.359 20 5 DGBDRO Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000294570442 224094563 /nfs/dbraw/zinc/09/45/63/224094563.db2.gz BWQYEUNGCPXTSO-QMMMGPOBSA-N 1 0 306.391 3.101 20 5 DGBDRO COc1cccc(NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000336861156 253011705 /nfs/dbraw/zinc/01/17/05/253011705.db2.gz XVJPGCXKWYAEPL-ZDUSSCGKSA-N 1 0 307.394 3.137 20 5 DGBDRO COc1cc(NCC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000302149856 533033354 /nfs/dbraw/zinc/03/33/54/533033354.db2.gz LQZGZHWBEUEWAF-ZDUSSCGKSA-N 1 0 307.394 3.280 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000336875261 253017036 /nfs/dbraw/zinc/01/70/36/253017036.db2.gz DCGQZJBHMRMUBW-WBMJQRKESA-N 1 0 323.441 3.042 20 5 DGBDRO Cc1nc(C)c(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000294570436 224095146 /nfs/dbraw/zinc/09/51/46/224095146.db2.gz BWQYEUNGCPXTSO-MRVPVSSYSA-N 1 0 306.391 3.101 20 5 DGBDRO CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337252779 253070364 /nfs/dbraw/zinc/07/03/64/253070364.db2.gz OZUHFQMYDHLLBI-CQSZACIVSA-N 1 0 319.405 3.436 20 5 DGBDRO CCC1(C)CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000337684097 253159026 /nfs/dbraw/zinc/15/90/26/253159026.db2.gz JJGVJQJAOOERPR-UHFFFAOYSA-N 1 0 320.389 3.473 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000338642509 253325369 /nfs/dbraw/zinc/32/53/69/253325369.db2.gz OGOBTUBZWJWCSW-INIZCTEOSA-N 1 0 307.394 3.136 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NCc2cn3cc(C)ccc3n2)c1 ZINC000338658521 253328544 /nfs/dbraw/zinc/32/85/44/253328544.db2.gz XXYGHUSQNJOHOL-UHFFFAOYSA-N 1 0 312.329 3.172 20 5 DGBDRO COC(=O)C(C)(C)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000338567442 253311924 /nfs/dbraw/zinc/31/19/24/253311924.db2.gz KBIVZFSYNWEBRD-UHFFFAOYSA-N 1 0 320.389 3.149 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000338705996 253338281 /nfs/dbraw/zinc/33/82/81/253338281.db2.gz JOYRKPKDQJADPA-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CCCO)CC1 ZINC000272930183 210316409 /nfs/dbraw/zinc/31/64/09/210316409.db2.gz JWZMAICSTQCSJM-CQSZACIVSA-N 1 0 306.406 3.449 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)CC ZINC000271074565 208602728 /nfs/dbraw/zinc/60/27/28/208602728.db2.gz GBYQUCYTWLAFER-OLZOCXBDSA-N 1 0 312.435 3.216 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000493004606 285153605 /nfs/dbraw/zinc/15/36/05/285153605.db2.gz POUMBUZVZMFTFS-UHFFFAOYSA-N 1 0 310.781 3.251 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000432325900 285155082 /nfs/dbraw/zinc/15/50/82/285155082.db2.gz NNGXZCQVWXAHCV-LBPRGKRZSA-N 1 0 309.797 3.313 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000157695363 197208837 /nfs/dbraw/zinc/20/88/37/197208837.db2.gz PHWQWBBMHDFBRB-ZBEGNZNMSA-N 1 0 304.321 3.118 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000342820832 254059061 /nfs/dbraw/zinc/05/90/61/254059061.db2.gz APRBRHQQMIUWFE-GFCCVEGCSA-N 1 0 310.357 3.364 20 5 DGBDRO CC[C@H](C)[NH2+][C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000343257870 254121158 /nfs/dbraw/zinc/12/11/58/254121158.db2.gz ZSLRTLZXTCYGNL-AAEUAGOBSA-N 1 0 304.350 3.124 20 5 DGBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000343257873 254121232 /nfs/dbraw/zinc/12/12/32/254121232.db2.gz ZSLRTLZXTCYGNL-YPMHNXCESA-N 1 0 304.350 3.124 20 5 DGBDRO CC(=O)c1cc(NCC[N@@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000343090279 254098623 /nfs/dbraw/zinc/09/86/23/254098623.db2.gz DRYGSCPYANXMOO-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CCOc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000343368639 254132634 /nfs/dbraw/zinc/13/26/34/254132634.db2.gz JUAWQKPNPOLMSE-NNQSOWQGSA-N 1 0 319.405 3.055 20 5 DGBDRO Cc1ccccc1[C@@H]([C@H](C)Nc1ncc([N+](=O)[O-])s1)[NH+](C)C ZINC000343818073 254192299 /nfs/dbraw/zinc/19/22/99/254192299.db2.gz YWLOGDOABDNHQM-SMDDNHRTSA-N 1 0 320.418 3.463 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157365647 197181490 /nfs/dbraw/zinc/18/14/90/197181490.db2.gz FFOQAKXCGLSHSE-INIZCTEOSA-N 1 0 303.406 3.045 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000343957220 254206014 /nfs/dbraw/zinc/20/60/14/254206014.db2.gz DSKMJTMKWWSDMZ-LBPRGKRZSA-N 1 0 308.353 3.365 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344097895 254224815 /nfs/dbraw/zinc/22/48/15/254224815.db2.gz CMQIMJHALYSLGD-HZMBPMFUSA-N 1 0 300.786 3.135 20 5 DGBDRO CC[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000344230259 254242334 /nfs/dbraw/zinc/24/23/34/254242334.db2.gz JDEHVMSQEPIFQD-WBMJQRKESA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@](O)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000344402742 254267251 /nfs/dbraw/zinc/26/72/51/254267251.db2.gz AVWUMFAKWXYNKS-KRWDZBQOSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H]1CCCC(F)(F)C1)CC2 ZINC000338302862 285184798 /nfs/dbraw/zinc/18/47/98/285184798.db2.gz UVSMKUULTJVZLZ-NSHDSACASA-N 1 0 311.332 3.173 20 5 DGBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])nc2)[NH+]2CCCC2)o1 ZINC000344443041 254271539 /nfs/dbraw/zinc/27/15/39/254271539.db2.gz XBPBPNYZDGOUCA-CQSZACIVSA-N 1 0 316.361 3.140 20 5 DGBDRO COCC[C@]1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOC1 ZINC000447075114 285186235 /nfs/dbraw/zinc/18/62/35/285186235.db2.gz ITJPTUJXFXZFPC-KRWDZBQOSA-N 1 0 322.405 3.003 20 5 DGBDRO CC[NH+](CC)C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255903454 285186412 /nfs/dbraw/zinc/18/64/12/285186412.db2.gz CTTHYIQGEDGHMJ-GQSKFBFOSA-N 1 0 317.433 3.272 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(F)cn1 ZINC000345041325 254325517 /nfs/dbraw/zinc/32/55/17/254325517.db2.gz WGZQWKIWFKIZBY-KPKJPENVSA-N 1 0 301.321 3.322 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000430207936 533136248 /nfs/dbraw/zinc/13/62/48/533136248.db2.gz SOLRPBPKNIFVBA-CQSZACIVSA-N 1 0 308.378 3.039 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000430200889 533136585 /nfs/dbraw/zinc/13/65/85/533136585.db2.gz IFWHHNIQSJGWHV-NVXWUHKLSA-N 1 0 322.405 3.287 20 5 DGBDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000157003213 197154819 /nfs/dbraw/zinc/15/48/19/197154819.db2.gz QOAOOGPUASMBBJ-XHDPSFHLSA-N 1 0 306.387 3.215 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nccn1C(F)F ZINC000344795433 254306223 /nfs/dbraw/zinc/30/62/23/254306223.db2.gz SDHBNDRANZCTGT-YRNVUSSQSA-N 1 0 322.315 3.380 20 5 DGBDRO CCN(CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000344838100 254309647 /nfs/dbraw/zinc/30/96/47/254309647.db2.gz BXVKTSMPBODTKU-SDNWHVSQSA-N 1 0 303.406 3.072 20 5 DGBDRO CCN1CCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344861824 254311468 /nfs/dbraw/zinc/31/14/68/254311468.db2.gz KADQQUMLGAKRNV-SHRNQRGKSA-N 1 0 303.406 3.072 20 5 DGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000345523196 254372150 /nfs/dbraw/zinc/37/21/50/254372150.db2.gz SQAZMMVXEXEZGW-MRXNPFEDSA-N 1 0 321.421 3.081 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000271562749 209014924 /nfs/dbraw/zinc/01/49/24/209014924.db2.gz PWIQAHYBEBHBBX-AAEUAGOBSA-N 1 0 316.361 3.408 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000323004216 533218776 /nfs/dbraw/zinc/21/87/76/533218776.db2.gz VFMKWMXMCSUYKE-DZGCQCFKSA-N 1 0 322.405 3.119 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1[N+](=O)[O-] ZINC000151418209 196677649 /nfs/dbraw/zinc/67/76/49/196677649.db2.gz XGCXKAPVXGIAKK-CTYIDZIISA-N 1 0 306.406 3.359 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000305766771 285302098 /nfs/dbraw/zinc/30/20/98/285302098.db2.gz GOINVUTZYIYXEZ-DZUCGIPZSA-N 1 0 318.417 3.199 20 5 DGBDRO CCc1ccc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc1[N+](=O)[O-] ZINC000339393752 285318195 /nfs/dbraw/zinc/31/81/95/285318195.db2.gz GUGPEWALAFVJTO-GFCCVEGCSA-N 1 0 304.350 3.253 20 5 DGBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)OCCc2sccc21 ZINC000289900467 221302566 /nfs/dbraw/zinc/30/25/66/221302566.db2.gz UBHBGDXXMLKTJJ-CQSZACIVSA-N 1 0 324.427 3.296 20 5 DGBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289983229 221359496 /nfs/dbraw/zinc/35/94/96/221359496.db2.gz ZXLYPTBEGDRQNO-VXGBXAGGSA-N 1 0 304.346 3.368 20 5 DGBDRO CCC[C@@]1(CO)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000289991096 221366083 /nfs/dbraw/zinc/36/60/83/221366083.db2.gz CHTCKSXWWXSLDA-QQOXCAACSA-N 1 0 304.390 3.093 20 5 DGBDRO Cc1cnn([C@@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000290033925 221392281 /nfs/dbraw/zinc/39/22/81/221392281.db2.gz VZLVHGWRQSCZLK-GDBMZVCRSA-N 1 0 314.389 3.416 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000294985173 224359050 /nfs/dbraw/zinc/35/90/50/224359050.db2.gz GZLZLMZIZBLBMZ-TXCZRRACSA-N 1 0 318.417 3.057 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@H+](Cc2ccncc2)C2CC2)c1 ZINC000124849447 195686736 /nfs/dbraw/zinc/68/67/36/195686736.db2.gz NHFYICPPUFYZHQ-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO COc1ccc(C[N@@H+]2CCSC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000434673674 533565139 /nfs/dbraw/zinc/56/51/39/533565139.db2.gz FZVNJQCZGBCRJR-UHFFFAOYSA-N 1 0 310.419 3.321 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000153810131 296500094 /nfs/dbraw/zinc/50/00/94/296500094.db2.gz IESBTICYRXMSCN-ZDUSSCGKSA-N 1 0 324.812 3.098 20 5 DGBDRO CCOC1CC(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595042485 400085994 /nfs/dbraw/zinc/08/59/94/400085994.db2.gz TXYFVMGJIYFRQT-DNOWBOINSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000595048220 400087897 /nfs/dbraw/zinc/08/78/97/400087897.db2.gz WIFJIMABIYGXSJ-KCPJHIHWSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H](OC)C1CC1 ZINC000595052103 400090397 /nfs/dbraw/zinc/09/03/97/400090397.db2.gz QOAIUILXNQQOFI-XMZIXOGTSA-N 1 0 308.378 3.068 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cccc(C)n1 ZINC000595054819 400091745 /nfs/dbraw/zinc/09/17/45/400091745.db2.gz PTEJTYFQYMWJTJ-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595056685 400093131 /nfs/dbraw/zinc/09/31/31/400093131.db2.gz QODUYMDZGOGSMQ-SWLSCSKDSA-N 1 0 303.406 3.045 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000595069825 400097592 /nfs/dbraw/zinc/09/75/92/400097592.db2.gz SKWAOMBTNTWBHW-DZKIICNBSA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]Cc2c(C3CC3)cnn2C)cccc1[N+](=O)[O-] ZINC000595076084 400100412 /nfs/dbraw/zinc/10/04/12/400100412.db2.gz DLCKPLBHZWXCSH-GFCCVEGCSA-N 1 0 314.389 3.365 20 5 DGBDRO CC[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000595076735 400100434 /nfs/dbraw/zinc/10/04/34/400100434.db2.gz IWSDBQWMYATYGV-INIZCTEOSA-N 1 0 314.389 3.447 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCC2CCC2)n1 ZINC000595078755 400100441 /nfs/dbraw/zinc/10/04/41/400100441.db2.gz AQWBZFNZNXTZBE-LSDHHAIUSA-N 1 0 306.410 3.445 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCC2CCC2)n1 ZINC000595078753 400100650 /nfs/dbraw/zinc/10/06/50/400100650.db2.gz AQWBZFNZNXTZBE-GJZGRUSLSA-N 1 0 306.410 3.445 20 5 DGBDRO CCC[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000595088659 400103132 /nfs/dbraw/zinc/10/31/32/400103132.db2.gz KXLPHSCGYVDOFG-YOEHRIQHSA-N 1 0 306.406 3.434 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCc2ccco2)n1 ZINC000595092971 400104017 /nfs/dbraw/zinc/10/40/17/400104017.db2.gz BZEYJWPHWHASCI-HUUCEWRRSA-N 1 0 318.377 3.090 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1=CCCC1 ZINC000595096354 400105349 /nfs/dbraw/zinc/10/53/49/400105349.db2.gz JWWBDRXWLVGGRT-GFCCVEGCSA-N 1 0 303.362 3.012 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000595025710 400080487 /nfs/dbraw/zinc/08/04/87/400080487.db2.gz LPWDRNVOKQLIBK-CEFQPYBMSA-N 1 0 320.389 3.068 20 5 DGBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090891028 400081011 /nfs/dbraw/zinc/08/10/11/400081011.db2.gz MZLYZPWBQWLPLH-SJKOYZFVSA-N 1 0 318.348 3.292 20 5 DGBDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090891026 400081310 /nfs/dbraw/zinc/08/13/10/400081310.db2.gz MZLYZPWBQWLPLH-PXAZEXFGSA-N 1 0 318.348 3.292 20 5 DGBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc2ccccc2c2cccnc12 ZINC000581729020 400081995 /nfs/dbraw/zinc/08/19/95/400081995.db2.gz GDPZWJVWPGIISL-OAHLLOKOSA-N 1 0 321.424 3.491 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCOC(C)C ZINC000595030876 400082952 /nfs/dbraw/zinc/08/29/52/400082952.db2.gz BXAYZYDXOXXVRA-ZDUSSCGKSA-N 1 0 310.394 3.459 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCn2nccc21 ZINC000595035672 400084246 /nfs/dbraw/zinc/08/42/46/400084246.db2.gz ZPWHUSYPULGCMG-ZDUSSCGKSA-N 1 0 320.780 3.112 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000595034549 400084277 /nfs/dbraw/zinc/08/42/77/400084277.db2.gz XWCUXFBOUOTDCL-HZSPNIEDSA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[NH2+]1 ZINC000092454937 400173656 /nfs/dbraw/zinc/17/36/56/400173656.db2.gz UJSJUAXVNINAKL-LBPRGKRZSA-N 1 0 317.414 3.117 20 5 DGBDRO Cc1noc(C[N@@H+]2CCc3ccc(F)cc3[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595564729 400189069 /nfs/dbraw/zinc/18/90/69/400189069.db2.gz VEAMFBSDORZOMP-JTQLQIEISA-N 1 0 319.336 3.192 20 5 DGBDRO Cc1noc(CN2CCC[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595550310 400184888 /nfs/dbraw/zinc/18/48/88/400184888.db2.gz GXFDMFLOXOKDHR-VIFPVBQESA-N 1 0 307.272 3.056 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(CO)cc2)cccc1[N+](=O)[O-] ZINC000305790246 400124063 /nfs/dbraw/zinc/12/40/63/400124063.db2.gz TXBWSWNCTYKXRE-CQSZACIVSA-N 1 0 314.385 3.289 20 5 DGBDRO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000008531871 400126230 /nfs/dbraw/zinc/12/62/30/400126230.db2.gz AXYPUTNDODFGJJ-UHFFFAOYSA-N 1 0 316.357 3.244 20 5 DGBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595324833 400126395 /nfs/dbraw/zinc/12/63/95/400126395.db2.gz HPYYDBHQMFSZRU-AWEZNQCLSA-N 1 0 303.362 3.344 20 5 DGBDRO Cc1noc(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595322149 400127172 /nfs/dbraw/zinc/12/71/72/400127172.db2.gz MGRLFWSXLHFJKT-BXUZGUMPSA-N 1 0 301.346 3.269 20 5 DGBDRO Cc1noc(C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595339428 400129877 /nfs/dbraw/zinc/12/98/77/400129877.db2.gz OQODLODRUVVEOQ-MRXNPFEDSA-N 1 0 301.346 3.055 20 5 DGBDRO Cc1noc(C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595338363 400130707 /nfs/dbraw/zinc/13/07/07/400130707.db2.gz RKQNOJXUFVQLIY-DZGCQCFKSA-N 1 0 315.373 3.344 20 5 DGBDRO Cc1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000609075398 400137303 /nfs/dbraw/zinc/13/73/03/400137303.db2.gz YJILITDJQATBOS-UHFFFAOYSA-N 1 0 306.387 3.476 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000609120967 400140885 /nfs/dbraw/zinc/14/08/85/400140885.db2.gz PRESLIAROMPFQF-CQSZACIVSA-N 1 0 317.389 3.106 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000595422058 400143934 /nfs/dbraw/zinc/14/39/34/400143934.db2.gz NLJSCOGOFDTDQN-KBPBESRZSA-N 1 0 322.380 3.373 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)O ZINC000609707879 400187208 /nfs/dbraw/zinc/18/72/08/400187208.db2.gz KBLQTFSTGZGQHP-NSHDSACASA-N 1 0 304.346 3.104 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCC2)CC1 ZINC000586783208 400154551 /nfs/dbraw/zinc/15/45/51/400154551.db2.gz FRGCSAMUIAEZNO-CYBMUJFWSA-N 1 0 317.389 3.188 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C12CCCCC2 ZINC000595455019 400156662 /nfs/dbraw/zinc/15/66/62/400156662.db2.gz QYUCDKPVJPFXSQ-KBPBESRZSA-N 1 0 323.393 3.109 20 5 DGBDRO Cc1c(NC(=O)[C@H]([NH3+])CC2CCCCC2)cccc1[N+](=O)[O-] ZINC000318682541 400157834 /nfs/dbraw/zinc/15/78/34/400157834.db2.gz AYLHMJLMEGHTFG-CYBMUJFWSA-N 1 0 305.378 3.139 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000595473242 400161246 /nfs/dbraw/zinc/16/12/46/400161246.db2.gz VKKJMEMXJJZXBF-OAHLLOKOSA-N 1 0 308.353 3.173 20 5 DGBDRO Cc1cc([C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)on1 ZINC000067387184 400166656 /nfs/dbraw/zinc/16/66/56/400166656.db2.gz PTMNUSIXPQHSGW-OAHLLOKOSA-N 1 0 317.345 3.107 20 5 DGBDRO CC[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCOC1 ZINC000616865630 400237097 /nfs/dbraw/zinc/23/70/97/400237097.db2.gz YWZNAEUACSGFPA-MRXNPFEDSA-N 1 0 308.378 3.041 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610342107 400244941 /nfs/dbraw/zinc/24/49/41/400244941.db2.gz QQGPXZCCPDZHPI-QWHCGFSZSA-N 1 0 319.405 3.480 20 5 DGBDRO CC(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000068334921 400253215 /nfs/dbraw/zinc/25/32/15/400253215.db2.gz ZIXGBKLNADPKSC-SNVBAGLBSA-N 1 0 313.785 3.163 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000026161218 400253182 /nfs/dbraw/zinc/25/31/82/400253182.db2.gz SVGYXQXSMCTIBY-BETUJISGSA-N 1 0 319.405 3.210 20 5 DGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000595766065 400254450 /nfs/dbraw/zinc/25/44/50/400254450.db2.gz RGCZGZXXGYJBJV-CYBMUJFWSA-N 1 0 305.378 3.010 20 5 DGBDRO CCC(C)(C)[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595641365 400216378 /nfs/dbraw/zinc/21/63/78/400216378.db2.gz JWANRWAQGULXND-LBPRGKRZSA-N 1 0 307.394 3.338 20 5 DGBDRO C[C@@H](O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000610161388 400217310 /nfs/dbraw/zinc/21/73/10/400217310.db2.gz SAQYWFGAZUJCDY-OAHLLOKOSA-N 1 0 314.385 3.020 20 5 DGBDRO C[C@H](O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000610161387 400217352 /nfs/dbraw/zinc/21/73/52/400217352.db2.gz SAQYWFGAZUJCDY-HNNXBMFYSA-N 1 0 314.385 3.020 20 5 DGBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](O)C1CC1 ZINC000589196486 400273635 /nfs/dbraw/zinc/27/36/35/400273635.db2.gz HUPYHCNJARTWDX-INIZCTEOSA-N 1 0 316.357 3.058 20 5 DGBDRO Cc1cccc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000610614080 400282375 /nfs/dbraw/zinc/28/23/75/400282375.db2.gz FFVDXWCDCVSWTL-UHFFFAOYSA-N 1 0 315.373 3.199 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2C[C@@H](CO)C2)c2ccccc2)c1 ZINC000601290777 400285639 /nfs/dbraw/zinc/28/56/39/400285639.db2.gz CJRJYBMRVNHJRI-XCRHUMRWSA-N 1 0 312.369 3.045 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000589326856 400288464 /nfs/dbraw/zinc/28/84/64/400288464.db2.gz UMHHKVDFLUIRDF-GFCCVEGCSA-N 1 0 313.829 3.458 20 5 DGBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CC1(C)C ZINC000595910818 400292587 /nfs/dbraw/zinc/29/25/87/400292587.db2.gz BZSHUXCORDUGAA-GFCCVEGCSA-N 1 0 316.361 3.123 20 5 DGBDRO C[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404326620 400295546 /nfs/dbraw/zinc/29/55/46/400295546.db2.gz VTVXEESUILBUNL-FZMZJTMJSA-N 1 0 311.813 3.198 20 5 DGBDRO Cc1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000596059563 400305902 /nfs/dbraw/zinc/30/59/02/400305902.db2.gz QIJNUHWIHWFRRD-QGZVFWFLSA-N 1 0 317.433 3.115 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000589601265 400307713 /nfs/dbraw/zinc/30/77/13/400307713.db2.gz BAJITXLUOHPKSO-GFCCVEGCSA-N 1 0 317.393 3.070 20 5 DGBDRO C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000610805592 400309247 /nfs/dbraw/zinc/30/92/47/400309247.db2.gz UCVULXMJVYUHNY-AWEZNQCLSA-N 1 0 311.385 3.261 20 5 DGBDRO CCn1nccc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000596094814 400315326 /nfs/dbraw/zinc/31/53/26/400315326.db2.gz MKTMBCFGHHFCAQ-QGZVFWFLSA-N 1 0 314.389 3.369 20 5 DGBDRO C[NH+]1CCC(CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596104544 400318740 /nfs/dbraw/zinc/31/87/40/400318740.db2.gz CPRBAOPMUUGJOL-UHFFFAOYSA-N 1 0 317.311 3.367 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1CCO ZINC000069249796 400319514 /nfs/dbraw/zinc/31/95/14/400319514.db2.gz NITLFOMRUSZKHJ-HNNXBMFYSA-N 1 0 322.405 3.119 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000610469646 400261030 /nfs/dbraw/zinc/26/10/30/400261030.db2.gz WDKXFIPTPKEBOV-UHFFFAOYSA-N 1 0 304.394 3.199 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000595789796 400261275 /nfs/dbraw/zinc/26/12/75/400261275.db2.gz OKQYKUFFVRSAKL-NVXWUHKLSA-N 1 0 304.390 3.376 20 5 DGBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000611335876 400379059 /nfs/dbraw/zinc/37/90/59/400379059.db2.gz HVIWGBNTYRLDKG-GLJUWKHASA-N 1 0 314.385 3.410 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CC1 ZINC000611337462 400379600 /nfs/dbraw/zinc/37/96/00/400379600.db2.gz KUJAABWCZCJCPN-KGLIPLIRSA-N 1 0 324.446 3.216 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611350084 400382643 /nfs/dbraw/zinc/38/26/43/400382643.db2.gz ATIXNIHRQZEVMY-UONOGXRCSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(F)c1 ZINC000611350899 400383985 /nfs/dbraw/zinc/38/39/85/400383985.db2.gz MUYSULOOLFYIDW-KGLIPLIRSA-N 1 0 322.380 3.373 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000611370385 400385462 /nfs/dbraw/zinc/38/54/62/400385462.db2.gz LSANEOQYBIUDSX-FRRDWIJNSA-N 1 0 309.435 3.498 20 5 DGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000072522130 400386466 /nfs/dbraw/zinc/38/64/66/400386466.db2.gz MBGPUTLHHCOISI-UHFFFAOYSA-N 1 0 312.373 3.066 20 5 DGBDRO O=[N+]([O-])c1sccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000610946714 400326736 /nfs/dbraw/zinc/32/67/36/400326736.db2.gz SRRZORVQWDNRSP-YPMHNXCESA-N 1 0 307.419 3.109 20 5 DGBDRO Cc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC000596174062 400340261 /nfs/dbraw/zinc/34/02/61/400340261.db2.gz HDTHAJZVTXESRW-ZDUSSCGKSA-N 1 0 309.435 3.133 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000589950172 400341425 /nfs/dbraw/zinc/34/14/25/400341425.db2.gz WSBJEOHLJYZPIW-GAFUQQFSSA-N 1 0 318.295 3.091 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000589949725 400341753 /nfs/dbraw/zinc/34/17/53/400341753.db2.gz KQEBNMZEJGVELT-XHVZSJERSA-N 1 0 318.295 3.091 20 5 DGBDRO COc1ccc(OCC[NH+]2CCC(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000590006397 400347360 /nfs/dbraw/zinc/34/73/60/400347360.db2.gz CFLAMLXDHZAUDG-UHFFFAOYSA-N 1 0 320.389 3.104 20 5 DGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C[C@@H]1C ZINC000611204026 400359244 /nfs/dbraw/zinc/35/92/44/400359244.db2.gz YXXVZGYQICXPBZ-ZDUSSCGKSA-N 1 0 321.421 3.303 20 5 DGBDRO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CCCCC1 ZINC000611253782 400365439 /nfs/dbraw/zinc/36/54/39/400365439.db2.gz CJJVFAZMIDDOHZ-UHFFFAOYSA-N 1 0 320.389 3.378 20 5 DGBDRO CC(=O)c1ccc(OC[C@@H]2CCCC[N@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000596266300 400365892 /nfs/dbraw/zinc/36/58/92/400365892.db2.gz PZPFWKCGTHXHRR-HNNXBMFYSA-N 1 0 320.389 3.439 20 5 DGBDRO COc1ccc(OC[C@H]2CCCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000596276168 400369243 /nfs/dbraw/zinc/36/92/43/400369243.db2.gz GNMSEECNYKIAIE-CYBMUJFWSA-N 1 0 308.378 3.245 20 5 DGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611268331 400370172 /nfs/dbraw/zinc/37/01/72/400370172.db2.gz YWQPHSYKAJDUTN-MRXNPFEDSA-N 1 0 320.389 3.377 20 5 DGBDRO CC(=O)c1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596309548 400376748 /nfs/dbraw/zinc/37/67/48/400376748.db2.gz UWXUUVKVKWLZMS-CYBMUJFWSA-N 1 0 305.378 3.082 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000611411770 400396034 /nfs/dbraw/zinc/39/60/34/400396034.db2.gz MRMXGKQXXLSBBT-JHJVBQTASA-N 1 0 309.435 3.498 20 5 DGBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000590569240 400396883 /nfs/dbraw/zinc/39/68/83/400396883.db2.gz PAIFXPDWIUMGES-MWLCHTKSSA-N 1 0 317.311 3.142 20 5 DGBDRO COc1ccc(OCC[NH2+]C(C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000611434031 400400570 /nfs/dbraw/zinc/40/05/70/400400570.db2.gz GQFVJEZOCJFELB-UHFFFAOYSA-N 1 0 310.394 3.252 20 5 DGBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000611442819 400402686 /nfs/dbraw/zinc/40/26/86/400402686.db2.gz GFHLHJNTFPHCPE-OAHLLOKOSA-N 1 0 302.378 3.149 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(C)(C)O ZINC000611470200 400407402 /nfs/dbraw/zinc/40/74/02/400407402.db2.gz MBIYZJXQTHWSMH-NWDGAFQWSA-N 1 0 312.435 3.215 20 5 DGBDRO CCC(CC)(CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000116347838 400408192 /nfs/dbraw/zinc/40/81/92/400408192.db2.gz PWDMWIDXPGPQBM-UHFFFAOYSA-N 1 0 318.373 3.496 20 5 DGBDRO CC[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000590648004 400408396 /nfs/dbraw/zinc/40/83/96/400408396.db2.gz AXQQXGSLFUXEBK-ZIAGYGMSSA-N 1 0 312.797 3.338 20 5 DGBDRO CC[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000590647993 400408936 /nfs/dbraw/zinc/40/89/36/400408936.db2.gz AXQQXGSLFUXEBK-KBPBESRZSA-N 1 0 312.797 3.338 20 5 DGBDRO COc1cc(NCC[C@@H](C)[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596426495 400412670 /nfs/dbraw/zinc/41/26/70/400412670.db2.gz AXXRVLAFKFEANV-SECBINFHSA-N 1 0 301.774 3.009 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000611616319 400429376 /nfs/dbraw/zinc/42/93/76/400429376.db2.gz HQEDISGFTARGQL-CYBMUJFWSA-N 1 0 304.394 3.035 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000596561681 400444837 /nfs/dbraw/zinc/44/48/37/400444837.db2.gz DWOHJAIJWCZUKQ-UHFFFAOYSA-N 1 0 319.405 3.137 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC1CC[NH+](CC2CC2)CC1 ZINC000596562305 400445041 /nfs/dbraw/zinc/44/50/41/400445041.db2.gz LDZPIRCCMBTYDT-UHFFFAOYSA-N 1 0 324.812 3.177 20 5 DGBDRO CC(C)OCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000120536351 400446160 /nfs/dbraw/zinc/44/61/60/400446160.db2.gz HXCPBKHGFOMVEW-HOCLYGCPSA-N 1 0 306.406 3.321 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570025 400446794 /nfs/dbraw/zinc/44/67/94/400446794.db2.gz HCFIRRPAAFVLKP-LBPRGKRZSA-N 1 0 324.812 3.177 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000611791180 400454487 /nfs/dbraw/zinc/45/44/87/400454487.db2.gz QDHVYRYNEXXTJW-ZDUSSCGKSA-N 1 0 311.813 3.211 20 5 DGBDRO CC(C)CSCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602580343 400502829 /nfs/dbraw/zinc/50/28/29/400502829.db2.gz MBBFVYNAKOTBLL-UHFFFAOYSA-N 1 0 309.391 3.215 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C3CCC3)C2)c2c(c1)COCO2 ZINC000591061810 400480958 /nfs/dbraw/zinc/48/09/58/400480958.db2.gz JFKUTHOPNGKBFB-ZDUSSCGKSA-N 1 0 318.373 3.083 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCCCO1 ZINC000602521717 400487311 /nfs/dbraw/zinc/48/73/11/400487311.db2.gz NDLKUYOYAUSLPI-LBPRGKRZSA-N 1 0 318.295 3.272 20 5 DGBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602782236 400571471 /nfs/dbraw/zinc/57/14/71/400571471.db2.gz LXEQSXNGFWUSKJ-INIZCTEOSA-N 1 0 316.405 3.053 20 5 DGBDRO Cc1cc([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])c(C)s1 ZINC000602798852 400576944 /nfs/dbraw/zinc/57/69/44/400576944.db2.gz GCPDSMADBSQTPP-JTQLQIEISA-N 1 0 308.407 3.129 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCC(F)(F)C3)nc2c1 ZINC000602643231 400522754 /nfs/dbraw/zinc/52/27/54/400522754.db2.gz OPFWQDWVCNUSGF-SECBINFHSA-N 1 0 311.288 3.261 20 5 DGBDRO Cc1cc(NC[C@H](c2cccc(F)c2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000074725952 400530017 /nfs/dbraw/zinc/53/00/17/400530017.db2.gz BESMTECMAVFYAX-OAHLLOKOSA-N 1 0 318.352 3.152 20 5 DGBDRO CC(C)[N@H+](Cc1cnn2c1CCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000596979761 400533090 /nfs/dbraw/zinc/53/30/90/400533090.db2.gz NOMZTLFEFKNSRZ-UHFFFAOYSA-N 1 0 314.389 3.148 20 5 DGBDRO CC(C)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000045751469 400534898 /nfs/dbraw/zinc/53/48/98/400534898.db2.gz ZIMKOAZUFGNXAN-UHFFFAOYSA-N 1 0 306.362 3.082 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000602677019 400535735 /nfs/dbraw/zinc/53/57/35/400535735.db2.gz QWXCURFENQIVHY-QGZVFWFLSA-N 1 0 316.401 3.028 20 5 DGBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602678075 400537158 /nfs/dbraw/zinc/53/71/58/400537158.db2.gz BMODQBRXUBIPKA-VIFPVBQESA-N 1 0 320.311 3.253 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cccc(C)c1C ZINC000602803732 400579152 /nfs/dbraw/zinc/57/91/52/400579152.db2.gz DAVHDTTVZJXGEW-CYBMUJFWSA-N 1 0 302.378 3.067 20 5 DGBDRO CC1(C)C[C@H](NC[C@@H]2CCCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000591577828 400541250 /nfs/dbraw/zinc/54/12/50/400541250.db2.gz IDNABEFCCWTVRS-LRDDRELGSA-N 1 0 303.406 3.049 20 5 DGBDRO CC1(C)C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc([N+](=O)[O-])ccc21 ZINC000591578083 400541793 /nfs/dbraw/zinc/54/17/93/400541793.db2.gz WFNLAOZMSGZCBK-IUMDCYBTSA-N 1 0 315.417 3.190 20 5 DGBDRO Cc1c([C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000591582612 400542715 /nfs/dbraw/zinc/54/27/15/400542715.db2.gz NUEUPFZUSBWEGA-ZIAGYGMSSA-N 1 0 303.406 3.229 20 5 DGBDRO Cc1c([C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000591582610 400543080 /nfs/dbraw/zinc/54/30/80/400543080.db2.gz NUEUPFZUSBWEGA-UONOGXRCSA-N 1 0 303.406 3.229 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000602714136 400549234 /nfs/dbraw/zinc/54/92/34/400549234.db2.gz UBXBSVAAHZVXQF-MWLCHTKSSA-N 1 0 300.280 3.455 20 5 DGBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1(C)COC1 ZINC000602724569 400552145 /nfs/dbraw/zinc/55/21/45/400552145.db2.gz WBCQRFHCYVDWGO-UHFFFAOYSA-N 1 0 318.295 3.082 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000602761263 400566085 /nfs/dbraw/zinc/56/60/85/400566085.db2.gz BFKFPMWCWOTTLD-CYBMUJFWSA-N 1 0 302.378 3.101 20 5 DGBDRO Cc1ncc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])s1 ZINC000602958437 400614980 /nfs/dbraw/zinc/61/49/80/400614980.db2.gz XSOCPUXNPSFBAA-JTQLQIEISA-N 1 0 307.375 3.089 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCCSCC2CC[NH2+]CC2)cc1 ZINC000592174616 400618545 /nfs/dbraw/zinc/61/85/45/400618545.db2.gz QXWHPZOZFRSZJG-UHFFFAOYSA-N 1 0 310.419 3.097 20 5 DGBDRO Cc1c(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)cccc1[N+](=O)[O-] ZINC000592182235 400619703 /nfs/dbraw/zinc/61/97/03/400619703.db2.gz MXFPUIKUADYULO-ZDUSSCGKSA-N 1 0 304.390 3.294 20 5 DGBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000592193359 400622591 /nfs/dbraw/zinc/62/25/91/400622591.db2.gz MDADQDKLVBPGFG-AWEZNQCLSA-N 1 0 304.390 3.171 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC(F)(F)C2)n1 ZINC000618574645 400628137 /nfs/dbraw/zinc/62/81/37/400628137.db2.gz FJTUPHOXZUELHB-IJLUTSLNSA-N 1 0 314.336 3.052 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000592375142 400640760 /nfs/dbraw/zinc/64/07/60/400640760.db2.gz RPCIKFUWUANDAR-CMTCILLRSA-N 1 0 306.406 3.385 20 5 DGBDRO CC[C@@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000075677164 400602609 /nfs/dbraw/zinc/60/26/09/400602609.db2.gz JQVKJGRTLZFIFN-AWEZNQCLSA-N 1 0 305.378 3.084 20 5 DGBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CO1 ZINC000592378999 400642033 /nfs/dbraw/zinc/64/20/33/400642033.db2.gz JPJNYYILRJPZPU-WCQYABFASA-N 1 0 302.330 3.122 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000592398822 400645253 /nfs/dbraw/zinc/64/52/53/400645253.db2.gz UQIGDHJEYAAVGP-LZWOXQAQSA-N 1 0 308.422 3.303 20 5 DGBDRO CC(C)Cn1nccc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000592498013 400659736 /nfs/dbraw/zinc/65/97/36/400659736.db2.gz USLOQVOBRMQHJD-UHFFFAOYSA-N 1 0 302.378 3.079 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCNc2ccc3ccccc3n2)c1 ZINC000151170449 400670630 /nfs/dbraw/zinc/67/06/30/400670630.db2.gz LKBMXMPSKJMOAD-UHFFFAOYSA-N 1 0 322.368 3.345 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc3cnccc3c2)c1 ZINC000618729178 400676299 /nfs/dbraw/zinc/67/62/99/400676299.db2.gz VMHXFEHABDFJIL-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)CC1CCC1 ZINC000603429055 400686112 /nfs/dbraw/zinc/68/61/12/400686112.db2.gz MDVLRRQNZJWPQQ-RQPMMQJISA-N 1 0 304.390 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 ZINC000603865101 400726036 /nfs/dbraw/zinc/72/60/36/400726036.db2.gz RMJXRTYJVORSOB-IRXDYDNUSA-N 1 0 323.396 3.163 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000593078263 400754875 /nfs/dbraw/zinc/75/48/75/400754875.db2.gz YQWZIAQMYPRARN-UHFFFAOYSA-N 1 0 312.316 3.095 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000166605482 400755097 /nfs/dbraw/zinc/75/50/97/400755097.db2.gz CGDJKWPOBIVTKH-UUWFMWQGSA-N 1 0 312.369 3.212 20 5 DGBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000161845996 400742684 /nfs/dbraw/zinc/74/26/84/400742684.db2.gz AAYMZXNWVMBLLX-CQSZACIVSA-N 1 0 320.389 3.150 20 5 DGBDRO C[C@@H](CCCCO)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000618798367 400691347 /nfs/dbraw/zinc/69/13/47/400691347.db2.gz XGTTZHMIDCFOMN-JTQLQIEISA-N 1 0 320.311 3.254 20 5 DGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000051259044 400698214 /nfs/dbraw/zinc/69/82/14/400698214.db2.gz XXEGTUMHRXWHAY-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO CC(C)[NH+]1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000051405690 400701722 /nfs/dbraw/zinc/70/17/22/400701722.db2.gz CFSSTBFKIUDOQY-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000078562425 400808999 /nfs/dbraw/zinc/80/89/99/400808999.db2.gz QRCBONSWSAZJSK-LBPRGKRZSA-N 1 0 311.813 3.416 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+]C2(C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000593079869 400756206 /nfs/dbraw/zinc/75/62/06/400756206.db2.gz ICAAYXNMNGBQNZ-GFCCVEGCSA-N 1 0 317.389 3.153 20 5 DGBDRO C[C@H](NCc1ccc(C[NH3+])cc1F)c1cccc([N+](=O)[O-])c1 ZINC000593319672 400818092 /nfs/dbraw/zinc/81/80/92/400818092.db2.gz OIZPLJUPLZXPFE-NSHDSACASA-N 1 0 303.337 3.043 20 5 DGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000604304585 400762773 /nfs/dbraw/zinc/76/27/73/400762773.db2.gz QLICEQRMAMCUMR-HIFRSBDPSA-N 1 0 312.373 3.237 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000078424835 400798963 /nfs/dbraw/zinc/79/89/63/400798963.db2.gz YSIUPFYKJURXDP-ZDUSSCGKSA-N 1 0 307.369 3.046 20 5 DGBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCC(C)(C)C1 ZINC000619433966 400848266 /nfs/dbraw/zinc/84/82/66/400848266.db2.gz CLOJXKPDOUKNPX-CYBMUJFWSA-N 1 0 320.389 3.377 20 5 DGBDRO C[C@@H]1C[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])[C@@H](C)O1 ZINC000599086661 400955093 /nfs/dbraw/zinc/95/50/93/400955093.db2.gz RMNGEVSOTGERHE-WZRBSPASSA-N 1 0 301.346 3.368 20 5 DGBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCO[C@H](C2CCC2)C1 ZINC000599086204 400955239 /nfs/dbraw/zinc/95/52/39/400955239.db2.gz KIZDFCHMDYOJBI-INIZCTEOSA-N 1 0 313.357 3.148 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599073390 400950548 /nfs/dbraw/zinc/95/05/48/400950548.db2.gz BZWQLKSQTVPTPH-VZAVHYRXSA-N 1 0 308.378 3.066 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC2(CCC2)C1 ZINC000593694051 400892983 /nfs/dbraw/zinc/89/29/83/400892983.db2.gz IOZCGGUICRWEHB-GFCCVEGCSA-N 1 0 317.389 3.234 20 5 DGBDRO CC[C@@H](O)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358169079 285988593 /nfs/dbraw/zinc/98/85/93/285988593.db2.gz OWKLFJVEGLNONT-CVEARBPZSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(C2CCC2)CC1 ZINC000593716440 400898103 /nfs/dbraw/zinc/89/81/03/400898103.db2.gz CGKHKDSJEWZCRZ-GFCCVEGCSA-N 1 0 317.389 3.234 20 5 DGBDRO C[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CCS1 ZINC000599074864 400952461 /nfs/dbraw/zinc/95/24/61/400952461.db2.gz UYWDHIYXMKEYTE-LLVKDONJSA-N 1 0 303.387 3.475 20 5 DGBDRO COc1cc(C[NH2+][C@H]2CC23CCCCC3)c([N+](=O)[O-])cc1O ZINC000598983754 400920762 /nfs/dbraw/zinc/92/07/62/400920762.db2.gz TWDOWGPKDHTTNP-HNNXBMFYSA-N 1 0 306.362 3.121 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000598986968 400920995 /nfs/dbraw/zinc/92/09/95/400920995.db2.gz FUMSJCSHBPZGAK-UPJWGTAASA-N 1 0 320.389 3.138 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599025927 400930809 /nfs/dbraw/zinc/93/08/09/400930809.db2.gz FHFHQMNLUGKKHD-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000057681888 401018661 /nfs/dbraw/zinc/01/86/61/401018661.db2.gz YDUSXAMSJJGPAI-INIZCTEOSA-N 1 0 314.389 3.485 20 5 DGBDRO CC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165207 400981681 /nfs/dbraw/zinc/98/16/81/400981681.db2.gz NPNWTEQXGZXBMQ-HNNXBMFYSA-N 1 0 317.389 3.226 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000599093930 400958766 /nfs/dbraw/zinc/95/87/66/400958766.db2.gz YTORLKHCZFHWDV-KBAYOESNSA-N 1 0 312.369 3.451 20 5 DGBDRO Cc1cc(NCC[C@@H]2CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599117415 400964554 /nfs/dbraw/zinc/96/45/54/400964554.db2.gz SHTWIAKMHDGCRK-ZDUSSCGKSA-N 1 0 315.373 3.102 20 5 DGBDRO COc1ccc(C[N@@H+]2CCCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000599551919 401075567 /nfs/dbraw/zinc/07/55/67/401075567.db2.gz ULHFHKVCXRQODC-UHFFFAOYSA-N 1 0 300.305 3.225 20 5 DGBDRO Cc1csc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000594493298 401077795 /nfs/dbraw/zinc/07/77/95/401077795.db2.gz AGDGKSKNLQFAHQ-ZDUSSCGKSA-N 1 0 303.387 3.179 20 5 DGBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246911998 401040338 /nfs/dbraw/zinc/04/03/38/401040338.db2.gz VXTWQDKZJJFTKD-LSDHHAIUSA-N 1 0 321.421 3.144 20 5 DGBDRO CCOc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594600012 401125558 /nfs/dbraw/zinc/12/55/58/401125558.db2.gz LBNBCUGBBONJEM-HUUCEWRRSA-N 1 0 319.405 3.422 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000615724268 401144127 /nfs/dbraw/zinc/14/41/27/401144127.db2.gz WPKAIMXUDWBJEF-RKCSUWQLSA-N 1 0 315.417 3.072 20 5 DGBDRO C[C@H]1CC(F)(F)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000599624229 401093774 /nfs/dbraw/zinc/09/37/74/401093774.db2.gz UHLJACQMOUEVEJ-NSHDSACASA-N 1 0 300.305 3.093 20 5 DGBDRO Cc1cccc([C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C(C)C)c1 ZINC000599627778 401095399 /nfs/dbraw/zinc/09/53/99/401095399.db2.gz OGHHMTYPEWIMOL-INIZCTEOSA-N 1 0 302.378 3.087 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cc1ccccn1 ZINC000594518914 401096494 /nfs/dbraw/zinc/09/64/94/401096494.db2.gz QWDNDRHAOOULFH-CYBMUJFWSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594519972 401097783 /nfs/dbraw/zinc/09/77/83/401097783.db2.gz VILCJPYAUXYOBI-BUUCAEBMSA-N 1 0 320.389 3.175 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c2cc([N+](=O)[O-])ccc21 ZINC000279175339 401148825 /nfs/dbraw/zinc/14/88/25/401148825.db2.gz VCUOKLOKBDLIKP-MPESAESLSA-N 1 0 302.374 3.227 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000281424387 401153640 /nfs/dbraw/zinc/15/36/40/401153640.db2.gz ZCIARNOGCKWANP-NUJGCVRESA-N 1 0 318.417 3.419 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCOC(C)(C)C1 ZINC000615835655 401161295 /nfs/dbraw/zinc/16/12/95/401161295.db2.gz XWZVJCKZKLEURY-UVTDQMKNSA-N 1 0 304.390 3.499 20 5 DGBDRO [NH3+]C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1 ZINC000594739248 401166025 /nfs/dbraw/zinc/16/60/25/401166025.db2.gz PZULDCPLUYMVMF-UHFFFAOYSA-N 1 0 315.373 3.216 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCCC1 ZINC000063505403 401197576 /nfs/dbraw/zinc/19/75/76/401197576.db2.gz XFFQBIPSYWZYDW-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000358341486 286036476 /nfs/dbraw/zinc/03/64/76/286036476.db2.gz SRDPKQSGLNGTLP-LLVKDONJSA-N 1 0 308.378 3.113 20 5 DGBDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594969504 401215025 /nfs/dbraw/zinc/21/50/25/401215025.db2.gz ZVSWRGCHRWHQHP-UHFFFAOYSA-N 1 0 312.385 3.401 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000594982805 401218616 /nfs/dbraw/zinc/21/86/16/401218616.db2.gz HTTNXEKRNFANOH-OAHLLOKOSA-N 1 0 306.406 3.216 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)cc1[N+](=O)[O-] ZINC000615943115 401185549 /nfs/dbraw/zinc/18/55/49/401185549.db2.gz AJNZHQIDXFEXBA-HNNXBMFYSA-N 1 0 316.405 3.166 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000063309283 401188299 /nfs/dbraw/zinc/18/82/99/401188299.db2.gz AXJDZYJAPHLHGK-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ncccc1F)C1CC1 ZINC000090720604 401272234 /nfs/dbraw/zinc/27/22/34/401272234.db2.gz RYNQSURUEBHWLI-OAHLLOKOSA-N 1 0 315.348 3.240 20 5 DGBDRO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCCC1 ZINC000064014400 401227459 /nfs/dbraw/zinc/22/74/59/401227459.db2.gz RRQIOIFTAANWSF-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000595010653 401229825 /nfs/dbraw/zinc/22/98/25/401229825.db2.gz WBAHNQGADZBIDB-CYBMUJFWSA-N 1 0 322.405 3.339 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000595012528 401231704 /nfs/dbraw/zinc/23/17/04/401231704.db2.gz CNYAJLLAQSMXRN-XEZPLFJOSA-N 1 0 322.405 3.458 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)CCCO ZINC000595015899 401232571 /nfs/dbraw/zinc/23/25/71/401232571.db2.gz VPLNOJKCEMZUBJ-GFCCVEGCSA-N 1 0 310.394 3.053 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020056 401235067 /nfs/dbraw/zinc/23/50/67/401235067.db2.gz SMZUWYSXWVMONC-MQIPJXDCSA-N 1 0 310.394 3.051 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+](C2CC2)C2CCCC2)c2c(c1)COCO2 ZINC000064808222 401251231 /nfs/dbraw/zinc/25/12/31/401251231.db2.gz WRRPHSFOOYAPEK-UHFFFAOYSA-N 1 0 318.373 3.368 20 5 DGBDRO CCC(=O)c1ccc(NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000358959423 286198491 /nfs/dbraw/zinc/19/84/91/286198491.db2.gz XEICFJYNQIXVSN-CYBMUJFWSA-N 1 0 319.405 3.331 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000359044141 286222560 /nfs/dbraw/zinc/22/25/60/286222560.db2.gz FYPOFQZTFWPGMH-QPSCCSFWSA-N 1 0 306.410 3.301 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCCCC[NH+]2CCCCC2)n1 ZINC000360875798 286546273 /nfs/dbraw/zinc/54/62/73/286546273.db2.gz YIYABSTXTSQEST-UHFFFAOYSA-N 1 0 306.410 3.366 20 5 DGBDRO CO[C@@](C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000361012871 286576670 /nfs/dbraw/zinc/57/66/70/286576670.db2.gz YKWSPTUUEPEJSS-SJORKVTESA-N 1 0 304.390 3.377 20 5 DGBDRO CO[C@@](C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000361012870 286576540 /nfs/dbraw/zinc/57/65/40/286576540.db2.gz YKWSPTUUEPEJSS-IRXDYDNUSA-N 1 0 304.390 3.377 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CC[NH+](C(C)C)C(C)C ZINC000361058766 286587299 /nfs/dbraw/zinc/58/72/99/286587299.db2.gz QNJWBIYOPFMCHV-UHFFFAOYSA-N 1 0 321.421 3.352 20 5 DGBDRO Cn1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(C(F)F)n1 ZINC000361135721 286606195 /nfs/dbraw/zinc/60/61/95/286606195.db2.gz IMSKPWPLHJIPBB-UHFFFAOYSA-N 1 0 324.331 3.291 20 5 DGBDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000361652989 286708010 /nfs/dbraw/zinc/70/80/10/286708010.db2.gz HKUQKNQUJPBPPT-DZGCQCFKSA-N 1 0 314.389 3.328 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)n1 ZINC000408341856 165953912 /nfs/dbraw/zinc/95/39/12/165953912.db2.gz TYTKIWUGOURHBR-KFWWJZLASA-N 1 0 318.421 3.140 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000364395350 287021731 /nfs/dbraw/zinc/02/17/31/287021731.db2.gz WTOPUPPNKNRGAO-SRMUXQRQSA-N 1 0 304.390 3.449 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000227687667 287048637 /nfs/dbraw/zinc/04/86/37/287048637.db2.gz FLRZKQMXVCSDNN-NWDGAFQWSA-N 1 0 323.393 3.159 20 5 DGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185667178 165012531 /nfs/dbraw/zinc/01/25/31/165012531.db2.gz DFMINPJCWVCBRA-MLGOLLRUSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192800656 165306741 /nfs/dbraw/zinc/30/67/41/165306741.db2.gz NUTREWBQPWAUTC-IUODEOHRSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000228184856 165389106 /nfs/dbraw/zinc/38/91/06/165389106.db2.gz PBCVDUJMMPKPIP-DZGCQCFKSA-N 1 0 312.373 3.237 20 5 DGBDRO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1F ZINC000366021657 287200782 /nfs/dbraw/zinc/20/07/82/287200782.db2.gz RWOFGBUIUOOATC-UHFFFAOYSA-N 1 0 318.352 3.076 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000269069046 432154044 /nfs/dbraw/zinc/15/40/44/432154044.db2.gz MGYBRBXPVFJLCU-DQYPLSBCSA-N 1 0 303.406 3.118 20 5 DGBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000129481503 196051776 /nfs/dbraw/zinc/05/17/76/196051776.db2.gz QVNSIMJIHBOKSE-QGZVFWFLSA-N 1 0 316.357 3.202 20 5 DGBDRO C[N@H+](CCCc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269648098 432191692 /nfs/dbraw/zinc/19/16/92/432191692.db2.gz FPKFQXDVQNJHMA-GOSISDBHSA-N 1 0 314.385 3.193 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150887456 432199588 /nfs/dbraw/zinc/19/95/88/432199588.db2.gz QMNPNKUOVNTIBP-CQSZACIVSA-N 1 0 307.369 3.189 20 5 DGBDRO C[C@@H](C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000269653264 432194081 /nfs/dbraw/zinc/19/40/81/432194081.db2.gz NJTBFQHLKUADJS-KSSFIOAISA-N 1 0 314.385 3.364 20 5 DGBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190920530 432201587 /nfs/dbraw/zinc/20/15/87/432201587.db2.gz VAIZFAQWVLSRNV-UHFFFAOYSA-N 1 0 322.409 3.099 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](C)N1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247195834 432211058 /nfs/dbraw/zinc/21/10/58/432211058.db2.gz VZJNBZBRPMORJD-RBSFLKMASA-N 1 0 305.422 3.366 20 5 DGBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1 ZINC000182584659 432206254 /nfs/dbraw/zinc/20/62/54/432206254.db2.gz KMUUSZHFOIYCDI-CYBMUJFWSA-N 1 0 308.769 3.186 20 5 DGBDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000247361138 432225259 /nfs/dbraw/zinc/22/52/59/432225259.db2.gz HIXWXGBXWYIPAP-DYVFJYSZSA-N 1 0 314.389 3.183 20 5 DGBDRO CC1CC[NH+](C2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000132174054 196232703 /nfs/dbraw/zinc/23/27/03/196232703.db2.gz ZZRINMNIDCUTLX-UHFFFAOYSA-N 1 0 318.421 3.445 20 5 DGBDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000133967567 196350247 /nfs/dbraw/zinc/35/02/47/196350247.db2.gz OSOYQARNVHXNTE-KRWDZBQOSA-N 1 0 314.389 3.245 20 5 DGBDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000134498382 196397006 /nfs/dbraw/zinc/39/70/06/196397006.db2.gz AQNAZTPZRNCCTB-SFHVURJKSA-N 1 0 314.385 3.368 20 5 DGBDRO Cc1cc(NC2CC[NH+](C3CCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000296083619 225518448 /nfs/dbraw/zinc/51/84/48/225518448.db2.gz SOXQJWYWJNVSCQ-UHFFFAOYSA-N 1 0 307.369 3.471 20 5 DGBDRO CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290904107 222009912 /nfs/dbraw/zinc/00/99/12/222009912.db2.gz OFWDDMMBDODOML-GFCCVEGCSA-N 1 0 307.177 3.152 20 5 DGBDRO Cc1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000301816269 229915454 /nfs/dbraw/zinc/91/54/54/229915454.db2.gz JGPYJBGWURFNJR-HNNXBMFYSA-N 1 0 303.406 3.215 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000301973173 230014172 /nfs/dbraw/zinc/01/41/72/230014172.db2.gz ACGIWBAHPHPPLC-ZDUSSCGKSA-N 1 0 317.311 3.366 20 5 DGBDRO C[C@H]1CCC[N@H+](CCCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413063800 230123827 /nfs/dbraw/zinc/12/38/27/230123827.db2.gz SQNNOMMRFKYFHF-LBPRGKRZSA-N 1 0 310.373 3.053 20 5 DGBDRO Cc1cc(N(C)C[C@H]2CCCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302146140 230124559 /nfs/dbraw/zinc/12/45/59/230124559.db2.gz GOYULRHQBPZVPF-CQSZACIVSA-N 1 0 315.373 3.457 20 5 DGBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000413082753 230128046 /nfs/dbraw/zinc/12/80/46/230128046.db2.gz HTLLHKNEFLZNPO-HNNXBMFYSA-N 1 0 318.352 3.152 20 5 DGBDRO C[C@H]1C[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000413187547 230149276 /nfs/dbraw/zinc/14/92/76/230149276.db2.gz RNKICHPOAWDGQB-WCQYABFASA-N 1 0 312.373 3.180 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1CCCCCC1 ZINC000302391552 230232868 /nfs/dbraw/zinc/23/28/68/230232868.db2.gz JJZDLEBZWPHAQE-CQSZACIVSA-N 1 0 321.421 3.418 20 5 DGBDRO Cc1cccc(NCC[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000302480122 230262966 /nfs/dbraw/zinc/26/29/66/230262966.db2.gz GIYCZHKISHBQDW-UHFFFAOYSA-N 1 0 317.414 3.435 20 5 DGBDRO Cc1cc(N[C@@H]2C[C@H]3OCCC[C@H]23)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302564240 230298691 /nfs/dbraw/zinc/29/86/91/230298691.db2.gz NZYRKEQFNLLZPZ-CSMYWGQOSA-N 1 0 313.357 3.431 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCOC(F)F)C1CC1 ZINC000194036623 263805426 /nfs/dbraw/zinc/80/54/26/263805426.db2.gz MYIHSGIUJHFRNG-CYBMUJFWSA-N 1 0 314.332 3.135 20 5 DGBDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230142853 263843109 /nfs/dbraw/zinc/84/31/09/263843109.db2.gz AJMKHFUEGSXFHN-CQSZACIVSA-N 1 0 300.786 3.135 20 5 DGBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000346347435 264015329 /nfs/dbraw/zinc/01/53/29/264015329.db2.gz XQJHBLFNSRPYFZ-CYBMUJFWSA-N 1 0 322.405 3.492 20 5 DGBDRO C[C@H]1[NH2+]CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000346687448 264079564 /nfs/dbraw/zinc/07/95/64/264079564.db2.gz VVUBLFXVCAGUQL-OLZOCXBDSA-N 1 0 315.373 3.037 20 5 DGBDRO Cc1nc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000346806237 264101374 /nfs/dbraw/zinc/10/13/74/264101374.db2.gz SGSPFNZHDIHYPG-FNORWQNLSA-N 1 0 301.346 3.045 20 5 DGBDRO C[C@H]1[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000349242184 264501378 /nfs/dbraw/zinc/50/13/78/264501378.db2.gz OHXADEMARIAQCV-GFCCVEGCSA-N 1 0 308.353 3.125 20 5 DGBDRO CCN(CCC[NH+](CC)CC)c1ncc([N+](=O)[O-])cc1Cl ZINC000350698496 264649421 /nfs/dbraw/zinc/64/94/21/264649421.db2.gz ANLLNFQBIZURRA-UHFFFAOYSA-N 1 0 314.817 3.201 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1CC[NH3+] ZINC000352494902 265069752 /nfs/dbraw/zinc/06/97/52/265069752.db2.gz GRVOIQKEBKBRQG-OAHLLOKOSA-N 1 0 321.421 3.085 20 5 DGBDRO CC(C)c1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352541209 265083327 /nfs/dbraw/zinc/08/33/27/265083327.db2.gz VDEXAAPVVNJTHT-SFHVURJKSA-N 1 0 317.433 3.294 20 5 DGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352816708 265179340 /nfs/dbraw/zinc/17/93/40/265179340.db2.gz QAPXXUUQDSOBJE-WFASDCNBSA-N 1 0 323.824 3.307 20 5 DGBDRO CCCN(CC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352871503 265208239 /nfs/dbraw/zinc/20/82/39/265208239.db2.gz ATOKWBYNYLIRKH-UHFFFAOYSA-N 1 0 309.385 3.042 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000352888911 265215706 /nfs/dbraw/zinc/21/57/06/265215706.db2.gz WHFLROHPPZGQIY-DZGCQCFKSA-N 1 0 322.405 3.119 20 5 DGBDRO CC(C)([NH2+]Cc1cnn(CC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000352915464 265228303 /nfs/dbraw/zinc/22/83/03/265228303.db2.gz OTRQTQBOBXREDA-UHFFFAOYSA-N 1 0 324.331 3.081 20 5 DGBDRO Cc1cccc(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000352923063 265232010 /nfs/dbraw/zinc/23/20/10/265232010.db2.gz GFQDVFBVSRUPKQ-UHFFFAOYSA-N 1 0 303.337 3.160 20 5 DGBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353162925 265324612 /nfs/dbraw/zinc/32/46/12/265324612.db2.gz BIYXYBOMWPYVPF-RDJZCZTQSA-N 1 0 322.405 3.002 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1CO ZINC000191180573 432231376 /nfs/dbraw/zinc/23/13/76/432231376.db2.gz MWJZQEXLMWECNH-BLLLJJGKSA-N 1 0 316.357 3.058 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+](C)C1CCCCC1 ZINC000172823777 432238990 /nfs/dbraw/zinc/23/89/90/432238990.db2.gz OEEGFFWKBJVLCJ-UHFFFAOYSA-N 1 0 323.441 3.186 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000182949250 432245186 /nfs/dbraw/zinc/24/51/86/432245186.db2.gz XVKDPWICGXAJOQ-RYUDHWBXSA-N 1 0 319.405 3.256 20 5 DGBDRO CC[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000359890868 271010806 /nfs/dbraw/zinc/01/08/06/271010806.db2.gz XPVDQUNVNRBKEY-HNNXBMFYSA-N 1 0 321.421 3.067 20 5 DGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369669691 271308441 /nfs/dbraw/zinc/30/84/41/271308441.db2.gz DBCKMXSHJJQAHG-ZDUSSCGKSA-N 1 0 300.362 3.189 20 5 DGBDRO C/C=C\C[C@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433230286 273481138 /nfs/dbraw/zinc/48/11/38/273481138.db2.gz FICZKGDTFFJUSV-MCDCMRCESA-N 1 0 304.390 3.234 20 5 DGBDRO CC1(C)CC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000153554111 273579133 /nfs/dbraw/zinc/57/91/33/273579133.db2.gz KAXOISLLOHJEMK-UHFFFAOYSA-N 1 0 312.801 3.364 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000277264521 273816420 /nfs/dbraw/zinc/81/64/20/273816420.db2.gz XFEBPBVEZWRVJU-AWEZNQCLSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000433125505 274224900 /nfs/dbraw/zinc/22/49/00/274224900.db2.gz KRSPWXOKQOUQBQ-YVEFUNNKSA-N 1 0 317.433 3.390 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000449305136 274231433 /nfs/dbraw/zinc/23/14/33/274231433.db2.gz REHVFSUUBTYUHS-HOCLYGCPSA-N 1 0 320.433 3.304 20 5 DGBDRO C[C@@H]([N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)(C)O ZINC000295190713 274234051 /nfs/dbraw/zinc/23/40/51/274234051.db2.gz QZRCEZAJZNNEJT-SECBINFHSA-N 1 0 320.311 3.205 20 5 DGBDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000161071922 274260887 /nfs/dbraw/zinc/26/08/87/274260887.db2.gz XIGMPEUTMCSYDD-CXAGYDPISA-N 1 0 300.358 3.369 20 5 DGBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000338783922 274362785 /nfs/dbraw/zinc/36/27/85/274362785.db2.gz IHQHSIMZDBFFIC-NXEZZACHSA-N 1 0 317.311 3.142 20 5 DGBDRO C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000331987526 274393005 /nfs/dbraw/zinc/39/30/05/274393005.db2.gz MCJKZRLBYXVIHF-BFQNTYOBSA-N 1 0 303.406 3.047 20 5 DGBDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000289480461 274740655 /nfs/dbraw/zinc/74/06/55/274740655.db2.gz QLJUYLGOWOSSED-UHFFFAOYSA-N 1 0 317.389 3.060 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000262008924 275033329 /nfs/dbraw/zinc/03/33/29/275033329.db2.gz WCJNLKDESPSFAR-OAHLLOKOSA-N 1 0 323.824 3.212 20 5 DGBDRO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296747570 275593395 /nfs/dbraw/zinc/59/33/95/275593395.db2.gz PLAGUOKSCFQXBL-KBPBESRZSA-N 1 0 321.421 3.138 20 5 DGBDRO CC(C)[NH+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000180448949 275623452 /nfs/dbraw/zinc/62/34/52/275623452.db2.gz VCNZDHRKKLCILL-UHFFFAOYSA-N 1 0 304.350 3.264 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433177657 275861734 /nfs/dbraw/zinc/86/17/34/275861734.db2.gz VEGNNHHGDZNVOL-SJKOYZFVSA-N 1 0 315.417 3.144 20 5 DGBDRO CCC1(O)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000340845400 275965902 /nfs/dbraw/zinc/96/59/02/275965902.db2.gz SJUMSBGMVAHWEB-UHFFFAOYSA-N 1 0 315.373 3.193 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000470857439 429711348 /nfs/dbraw/zinc/71/13/48/429711348.db2.gz CRVBLLSIKJFWHM-CQSZACIVSA-N 1 0 306.410 3.365 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)CC(C)C ZINC000470867667 429711801 /nfs/dbraw/zinc/71/18/01/429711801.db2.gz USNCWKUIGKPICO-AWEZNQCLSA-N 1 0 308.426 3.467 20 5 DGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000414211476 276527261 /nfs/dbraw/zinc/52/72/61/276527261.db2.gz ONIJDMOQKVRAOU-OAGGEKHMSA-N 1 0 304.390 3.474 20 5 DGBDRO CC[C@@H](O)CC[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271074567 276535248 /nfs/dbraw/zinc/53/52/48/276535248.db2.gz GBYQUCYTWLAFER-QWHCGFSZSA-N 1 0 312.435 3.216 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450491543 276832327 /nfs/dbraw/zinc/83/23/27/276832327.db2.gz XIGKUIXOZUOYGF-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO C[NH+]1CCC([C@H]2CCN(c3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000432322060 276889587 /nfs/dbraw/zinc/88/95/87/276889587.db2.gz JVKLFGCQNMUGEJ-ZDUSSCGKSA-N 1 0 323.824 3.416 20 5 DGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000338749069 277072660 /nfs/dbraw/zinc/07/26/60/277072660.db2.gz MUQNTDUWYMQOEE-OAHLLOKOSA-N 1 0 309.797 3.170 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000119097620 277109201 /nfs/dbraw/zinc/10/92/01/277109201.db2.gz GITJXBOQRUDAQV-SFHVURJKSA-N 1 0 311.385 3.084 20 5 DGBDRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000412058344 277376627 /nfs/dbraw/zinc/37/66/27/277376627.db2.gz AJYQUZGXXPGHJD-GUYCJALGSA-N 1 0 320.389 3.239 20 5 DGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453319563 277650066 /nfs/dbraw/zinc/65/00/66/277650066.db2.gz DDBYKZRJZFWEPW-OWCLPIDISA-N 1 0 304.390 3.474 20 5 DGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000616059682 430583379 /nfs/dbraw/zinc/58/33/79/430583379.db2.gz VVVCRTORMNQYMT-AWEZNQCLSA-N 1 0 314.389 3.429 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000093614827 278036404 /nfs/dbraw/zinc/03/64/04/278036404.db2.gz DINXJCCNHXWUJV-CVEARBPZSA-N 1 0 317.433 3.387 20 5 DGBDRO CSC[C@H](CCO)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313333 278137647 /nfs/dbraw/zinc/13/76/47/278137647.db2.gz PCIFMFQPVJNYAD-BBRMVZONSA-N 1 0 324.446 3.066 20 5 DGBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420232418 278314165 /nfs/dbraw/zinc/31/41/65/278314165.db2.gz LWTJFWUXCMODKQ-HTQZYQBOSA-N 1 0 304.177 3.075 20 5 DGBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429705713 278624194 /nfs/dbraw/zinc/62/41/94/278624194.db2.gz ZHJPFZRGGSBCMF-KRWDZBQOSA-N 1 0 314.385 3.444 20 5 DGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289537847 278968951 /nfs/dbraw/zinc/96/89/51/278968951.db2.gz HXMJKLQFKXFNBD-YFZXXLGGSA-N 1 0 315.417 3.167 20 5 DGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000343797426 279088800 /nfs/dbraw/zinc/08/88/00/279088800.db2.gz UQLGJIOZXZJBNN-YPMHNXCESA-N 1 0 309.797 3.311 20 5 DGBDRO CC(C)C[C@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175613 279174298 /nfs/dbraw/zinc/17/42/98/279174298.db2.gz MOXDMXWUHRPZHD-MLGOLLRUSA-N 1 0 306.406 3.314 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000068836602 431143737 /nfs/dbraw/zinc/14/37/37/431143737.db2.gz OSYLRUIQIMQZEY-MRXNPFEDSA-N 1 0 303.337 3.449 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000069055569 431156112 /nfs/dbraw/zinc/15/61/12/431156112.db2.gz LOPKSPHJLLTQDH-RFQIPJPRSA-N 1 0 319.405 3.336 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000108918372 431161113 /nfs/dbraw/zinc/16/11/13/431161113.db2.gz ICSLWHHSLDMSCH-VXGBXAGGSA-N 1 0 316.361 3.408 20 5 DGBDRO CC[C@](C)(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000111384758 431216909 /nfs/dbraw/zinc/21/69/09/431216909.db2.gz FTOMXLRGRJSTSH-INIZCTEOSA-N 1 0 304.346 3.105 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296152108 279544077 /nfs/dbraw/zinc/54/40/77/279544077.db2.gz WADMMCVHHAHRAO-XHVZSJERSA-N 1 0 318.295 3.355 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000009997897 431452388 /nfs/dbraw/zinc/45/23/88/431452388.db2.gz URBQVTXLUZTKRD-CHWSQXEVSA-N 1 0 305.378 3.105 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000009997900 431453906 /nfs/dbraw/zinc/45/39/06/431453906.db2.gz VDZBWUGQGSYJHZ-STQMWFEESA-N 1 0 305.378 3.105 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000075832125 431500741 /nfs/dbraw/zinc/50/07/41/431500741.db2.gz GFWBSIWLEWAWTO-UHFFFAOYSA-N 1 0 304.390 3.172 20 5 DGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1cccs1 ZINC000075965459 431507175 /nfs/dbraw/zinc/50/71/75/431507175.db2.gz AIXRSTFNXBDAMN-UHFFFAOYSA-N 1 0 306.387 3.210 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCCSC1)C1CC1 ZINC000159530202 280374426 /nfs/dbraw/zinc/37/44/26/280374426.db2.gz RKQPQPOWYGXPDH-HUUCEWRRSA-N 1 0 306.431 3.401 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078270579 431652304 /nfs/dbraw/zinc/65/23/04/431652304.db2.gz DMSJZMRNUQORFI-TYNCELHUSA-N 1 0 305.378 3.090 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000025407338 431655651 /nfs/dbraw/zinc/65/56/51/431655651.db2.gz HSWBCIBYPNKGTH-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563102 431847988 /nfs/dbraw/zinc/84/79/88/431847988.db2.gz YYVHUGAANFAJDY-NSHDSACASA-N 1 0 306.387 3.473 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000123001017 431851856 /nfs/dbraw/zinc/85/18/56/431851856.db2.gz RYJMGQRRTGCIND-TZMCWYRMSA-N 1 0 319.405 3.210 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000122452159 431833896 /nfs/dbraw/zinc/83/38/96/431833896.db2.gz RBJXYNHUSOMHDS-NEPJUHHUSA-N 1 0 316.361 3.123 20 5 DGBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000123822837 431874839 /nfs/dbraw/zinc/87/48/39/431874839.db2.gz RCMANENCELSSPA-AAEUAGOBSA-N 1 0 312.797 3.374 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](COC)C2CC2)cc1[N+](=O)[O-] ZINC000090717091 431895329 /nfs/dbraw/zinc/89/53/29/431895329.db2.gz KSSSXBMUZBANRQ-BXUZGUMPSA-N 1 0 308.378 3.069 20 5 DGBDRO C[C@@H](c1ccncc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000127528757 431974722 /nfs/dbraw/zinc/97/47/22/431974722.db2.gz HCHDHERRFOJEAU-ZDUSSCGKSA-N 1 0 301.346 3.062 20 5 DGBDRO Cc1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)on1 ZINC000125511866 431928422 /nfs/dbraw/zinc/92/84/22/431928422.db2.gz ALECADLHXJJFHH-OAHLLOKOSA-N 1 0 301.346 3.002 20 5 DGBDRO Cc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)on1 ZINC000125511666 431928470 /nfs/dbraw/zinc/92/84/70/431928470.db2.gz ALECADLHXJJFHH-HNNXBMFYSA-N 1 0 301.346 3.002 20 5 DGBDRO CC[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000125730757 431934256 /nfs/dbraw/zinc/93/42/56/431934256.db2.gz IJGKRKSWKLOIMW-NWDGAFQWSA-N 1 0 316.361 3.438 20 5 DGBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000049558741 431941538 /nfs/dbraw/zinc/94/15/38/431941538.db2.gz UOWRPDVHZBMCQQ-VIFPVBQESA-N 1 0 305.300 3.366 20 5 DGBDRO Cc1n[nH]cc1CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000050182657 431947507 /nfs/dbraw/zinc/94/75/07/431947507.db2.gz WBPSZPIVNOXOEZ-UHFFFAOYSA-N 1 0 308.769 3.002 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051124672 431949885 /nfs/dbraw/zinc/94/98/85/431949885.db2.gz YBSSASZVQUPOQZ-CYBMUJFWSA-N 1 0 316.361 3.409 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429290536 281020072 /nfs/dbraw/zinc/02/00/72/281020072.db2.gz DGYUOTZILWPUGT-OCCSQVGLSA-N 1 0 312.369 3.427 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nccs1)C1CC1 ZINC000128128200 431987902 /nfs/dbraw/zinc/98/79/02/431987902.db2.gz LTKKYBSXINIVKF-ZDUSSCGKSA-N 1 0 303.387 3.162 20 5 DGBDRO Cc1ccccc1[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000091399937 281358694 /nfs/dbraw/zinc/35/86/94/281358694.db2.gz DZHOKEFZWFINEP-INIZCTEOSA-N 1 0 302.378 3.087 20 5 DGBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000191640603 432286431 /nfs/dbraw/zinc/28/64/31/432286431.db2.gz NCOSGWPZCBWNHK-TTZDDIAXSA-N 1 0 306.406 3.319 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1(O)CCCC1 ZINC000152040296 432299926 /nfs/dbraw/zinc/29/99/26/432299926.db2.gz HPEKMLRCTSKKFQ-UHFFFAOYSA-N 1 0 322.405 3.119 20 5 DGBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000183764867 432324072 /nfs/dbraw/zinc/32/40/72/432324072.db2.gz NDBWBQFKYPHCBT-INIZCTEOSA-N 1 0 320.776 3.246 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](O)C3)o2)c(Cl)c1 ZINC000271111814 432330948 /nfs/dbraw/zinc/33/09/48/432330948.db2.gz UPJYRRXZVJWIOW-NSHDSACASA-N 1 0 322.748 3.075 20 5 DGBDRO CC[NH+](CC)CCSCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000183859794 432331539 /nfs/dbraw/zinc/33/15/39/432331539.db2.gz QDTORBYXUHHPTA-UHFFFAOYSA-N 1 0 316.398 3.318 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCCO ZINC000271168850 432343966 /nfs/dbraw/zinc/34/39/66/432343966.db2.gz UAFNEHHIENWXPD-CHWSQXEVSA-N 1 0 312.435 3.216 20 5 DGBDRO COC[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000271213368 432354490 /nfs/dbraw/zinc/35/44/90/432354490.db2.gz YYHZDGPLCZWBHF-ZDUSSCGKSA-N 1 0 316.357 3.323 20 5 DGBDRO COc1cc(C[N@H+](C)[C@H](C)CCSC)c([N+](=O)[O-])cc1F ZINC000184261215 432373586 /nfs/dbraw/zinc/37/35/86/432373586.db2.gz CLJKYZJHPFBCNI-SNVBAGLBSA-N 1 0 316.398 3.316 20 5 DGBDRO Cc1ccc(C(C)(C)C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174877373 432377710 /nfs/dbraw/zinc/37/77/10/432377710.db2.gz VEQFHIFLUBOJKL-UHFFFAOYSA-N 1 0 316.405 3.009 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000252731143 432386930 /nfs/dbraw/zinc/38/69/30/432386930.db2.gz OLXYDRMSZZWIGL-RKFVTTHHSA-N 1 0 312.435 3.183 20 5 DGBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192623311 432394063 /nfs/dbraw/zinc/39/40/63/432394063.db2.gz LVIVOVSUQTXHAI-GXTWGEPZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000249893763 432359084 /nfs/dbraw/zinc/35/90/84/432359084.db2.gz USMAEPGOLBTHCL-CYZMBNFOSA-N 1 0 307.394 3.254 20 5 DGBDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000249893768 432360396 /nfs/dbraw/zinc/36/03/96/432360396.db2.gz USMAEPGOLBTHCL-WCFLWFBJSA-N 1 0 307.394 3.254 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251592946 432369607 /nfs/dbraw/zinc/36/96/07/432369607.db2.gz FODVAEGJFIWNCG-JWDQPFGJSA-N 1 0 304.390 3.073 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000153759745 432439787 /nfs/dbraw/zinc/43/97/87/432439787.db2.gz CDPBIGUSVNIPML-HUBLWGQQSA-N 1 0 310.394 3.051 20 5 DGBDRO C[C@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153783228 432443757 /nfs/dbraw/zinc/44/37/57/432443757.db2.gz ZBMBGYLRLWBHRN-DZGCQCFKSA-N 1 0 303.406 3.262 20 5 DGBDRO CCc1cnc(CN(C)CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000175525441 432444641 /nfs/dbraw/zinc/44/46/41/432444641.db2.gz GZNGAEMMJNFOOL-UHFFFAOYSA-N 1 0 321.402 3.125 20 5 DGBDRO Cc1cnc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000185019303 432455638 /nfs/dbraw/zinc/45/56/38/432455638.db2.gz HBBNKURZASDYIQ-NSHDSACASA-N 1 0 307.375 3.089 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000153926950 432457357 /nfs/dbraw/zinc/45/73/57/432457357.db2.gz PAXJZNGAUIJTPT-YNEHKIRRSA-N 1 0 310.394 3.051 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000184585773 432408145 /nfs/dbraw/zinc/40/81/45/432408145.db2.gz JJMGNPMLRFWNMQ-FZMZJTMJSA-N 1 0 316.361 3.313 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCN(CC)C2CC2)cc1[N+](=O)[O-] ZINC000153493104 432414009 /nfs/dbraw/zinc/41/40/09/432414009.db2.gz XBEPZJHNUMXADQ-ZDUSSCGKSA-N 1 0 321.421 3.128 20 5 DGBDRO COC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184678107 432419330 /nfs/dbraw/zinc/41/93/30/432419330.db2.gz DTJYYNPUWDXEAV-HNNXBMFYSA-N 1 0 304.346 3.016 20 5 DGBDRO CC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192838322 432420828 /nfs/dbraw/zinc/42/08/28/432420828.db2.gz NZKLHJHNNYKJJO-QGZVFWFLSA-N 1 0 303.406 3.262 20 5 DGBDRO CC(C)(C)OC(=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192895214 432426811 /nfs/dbraw/zinc/42/68/11/432426811.db2.gz ABFBXCDPIBOCAW-OAHLLOKOSA-N 1 0 320.389 3.294 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCCCCO)o2)c1 ZINC000192903429 432427451 /nfs/dbraw/zinc/42/74/51/432427451.db2.gz IJTOMXUABJFQMY-UHFFFAOYSA-N 1 0 304.346 3.107 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)C(C)(C)C ZINC000185189082 432474450 /nfs/dbraw/zinc/47/44/50/432474450.db2.gz HCPKYSIICJPKFP-CZUORRHYSA-N 1 0 308.422 3.303 20 5 DGBDRO C[C@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262466493 432487488 /nfs/dbraw/zinc/48/74/88/432487488.db2.gz IYENZFPMJHZVER-UWVGGRQHSA-N 1 0 317.311 3.035 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(SC)CCC1 ZINC000193643381 432488780 /nfs/dbraw/zinc/48/87/80/432488780.db2.gz LEIFEOWIVHAFJK-UHFFFAOYSA-N 1 0 310.419 3.369 20 5 DGBDRO Cc1c(NC(=O)CC2(C[NH3+])CCCCC2)cccc1[N+](=O)[O-] ZINC000185345300 432492582 /nfs/dbraw/zinc/49/25/82/432492582.db2.gz TVOYTTBQQIAXGA-UHFFFAOYSA-N 1 0 305.378 3.141 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000176204339 432499798 /nfs/dbraw/zinc/49/97/98/432499798.db2.gz OABQWOMMHOQEGX-CQSZACIVSA-N 1 0 320.780 3.282 20 5 DGBDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176212780 432501007 /nfs/dbraw/zinc/50/10/07/432501007.db2.gz YNKVQZQUPFVHGN-LLVKDONJSA-N 1 0 308.769 3.138 20 5 DGBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176242805 432502859 /nfs/dbraw/zinc/50/28/59/432502859.db2.gz YXJRCNXULBKWGO-MRXNPFEDSA-N 1 0 302.378 3.120 20 5 DGBDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176249496 432504826 /nfs/dbraw/zinc/50/48/26/432504826.db2.gz ACPJEHNUZWFXMC-GFCCVEGCSA-N 1 0 322.796 3.008 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000153980047 432460753 /nfs/dbraw/zinc/46/07/53/432460753.db2.gz MDXKWFVYUCWEMY-DOMZBBRYSA-N 1 0 310.394 3.051 20 5 DGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185611009 432514371 /nfs/dbraw/zinc/51/43/71/432514371.db2.gz JKTHOIUMUNZHNB-IAQYHMDHSA-N 1 0 306.362 3.082 20 5 DGBDRO CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1nccn1C ZINC000272584046 432528550 /nfs/dbraw/zinc/52/85/50/432528550.db2.gz GZYMCMKYOLWXGM-ZDUSSCGKSA-N 1 0 322.796 3.265 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCO[C@H]21 ZINC000273034470 432541510 /nfs/dbraw/zinc/54/15/10/432541510.db2.gz CQQVEFVTFGLTBJ-MRVWCRGKSA-N 1 0 310.781 3.151 20 5 DGBDRO C[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO[C@@H]1C1CC1 ZINC000273073399 432546318 /nfs/dbraw/zinc/54/63/18/432546318.db2.gz OUQZPHUBNYBDCM-CABCVRRESA-N 1 0 310.781 3.295 20 5 DGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1OCCc2ccccc21 ZINC000263748946 432573345 /nfs/dbraw/zinc/57/33/45/432573345.db2.gz SDOQTQKTVGAYCW-SFHVURJKSA-N 1 0 312.369 3.341 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177561270 432638362 /nfs/dbraw/zinc/63/83/62/432638362.db2.gz VTHJVRATPABGFD-MCIONIFRSA-N 1 0 317.389 3.044 20 5 DGBDRO CCC(CC)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000177863289 432669487 /nfs/dbraw/zinc/66/94/87/432669487.db2.gz CZDAGLAEEIIKLT-UHFFFAOYSA-N 1 0 321.421 3.340 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000178150482 432700013 /nfs/dbraw/zinc/70/00/13/432700013.db2.gz XBHPLVVSBQTWST-HNNXBMFYSA-N 1 0 318.352 3.152 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)c2ccccc2)C2CC2)cc1 ZINC000265453066 432700883 /nfs/dbraw/zinc/70/08/83/432700883.db2.gz XAHFTFAGWFWYIQ-GOSISDBHSA-N 1 0 312.369 3.293 20 5 DGBDRO CC(C)(O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000274720169 432701315 /nfs/dbraw/zinc/70/13/15/432701315.db2.gz DLFRZWFVKJOQFB-UHFFFAOYSA-N 1 0 304.346 3.105 20 5 DGBDRO CC(C)(O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000274771069 432706134 /nfs/dbraw/zinc/70/61/34/432706134.db2.gz ROYXBTGFPHRHCB-UHFFFAOYSA-N 1 0 304.346 3.105 20 5 DGBDRO CO[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000188133160 432708018 /nfs/dbraw/zinc/70/80/18/432708018.db2.gz QLYMSJHSUUKCAI-GUYCJALGSA-N 1 0 300.358 3.309 20 5 DGBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178299678 432715951 /nfs/dbraw/zinc/71/59/51/432715951.db2.gz MPLKYVIXKQTAOC-NSHDSACASA-N 1 0 321.402 3.057 20 5 DGBDRO [NH3+]CCCN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000230001900 432723123 /nfs/dbraw/zinc/72/31/23/432723123.db2.gz IJAWORZTRJCOCA-UHFFFAOYSA-N 1 0 305.403 3.007 20 5 DGBDRO C[C@H]([NH2+]CCCN1CCCCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000159554369 432686580 /nfs/dbraw/zinc/68/65/80/432686580.db2.gz NPUHDEOHFCBBNF-AWEZNQCLSA-N 1 0 319.405 3.038 20 5 DGBDRO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178554125 432752713 /nfs/dbraw/zinc/75/27/13/432752713.db2.gz DOTUQKRXYWKEPD-QWHCGFSZSA-N 1 0 300.358 3.499 20 5 DGBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178640279 432760909 /nfs/dbraw/zinc/76/09/09/432760909.db2.gz QZZJSWICIQXKHA-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000189351215 432779150 /nfs/dbraw/zinc/77/91/50/432779150.db2.gz CXBKTPXMFLPEQV-CVEARBPZSA-N 1 0 316.357 3.104 20 5 DGBDRO COc1cccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000267191538 432821474 /nfs/dbraw/zinc/82/14/74/432821474.db2.gz DIBIDXFYPWFEIX-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245521597 432839192 /nfs/dbraw/zinc/83/91/92/432839192.db2.gz KYSJMJIAVXXARN-HUUCEWRRSA-N 1 0 305.422 3.238 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000245199300 432825284 /nfs/dbraw/zinc/82/52/84/432825284.db2.gz LFOISFAWIHRLJM-ATCWAGBWSA-N 1 0 320.389 3.376 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245466764 432834915 /nfs/dbraw/zinc/83/49/15/432834915.db2.gz ZFKKPMXIHJJQLI-XJKSGUPXSA-N 1 0 317.389 3.106 20 5 DGBDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000266770465 432786889 /nfs/dbraw/zinc/78/68/89/432786889.db2.gz JLQZVTYWCDOORW-ABAIWWIYSA-N 1 0 306.387 3.215 20 5 DGBDRO Cc1ccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000237643601 432796027 /nfs/dbraw/zinc/79/60/27/432796027.db2.gz RFOGXVCJAJJIGJ-KBPBESRZSA-N 1 0 305.378 3.139 20 5 DGBDRO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)C1 ZINC000266903342 432796389 /nfs/dbraw/zinc/79/63/89/432796389.db2.gz AHBRXMFTBVJWDI-LLVKDONJSA-N 1 0 306.362 3.082 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000161978679 432805601 /nfs/dbraw/zinc/80/56/01/432805601.db2.gz UHDRPCBPZSCTKJ-XTBFLFJDSA-N 1 0 304.390 3.367 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](CCOC(C)C)CC1 ZINC000267115479 432814931 /nfs/dbraw/zinc/81/49/31/432814931.db2.gz ZPFSDEIUWYVAML-UHFFFAOYSA-N 1 0 321.421 3.205 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245755596 432861241 /nfs/dbraw/zinc/86/12/41/432861241.db2.gz HOHQRLJCUQOEKL-CHWSQXEVSA-N 1 0 307.394 3.290 20 5 DGBDRO Cc1nc(NC[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268429915 432870263 /nfs/dbraw/zinc/87/02/63/432870263.db2.gz AYZHLQPGOWGCBV-HNNXBMFYSA-N 1 0 300.362 3.013 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000268434418 432872047 /nfs/dbraw/zinc/87/20/47/432872047.db2.gz DQGJTRLXDIHRAS-CYBMUJFWSA-N 1 0 320.389 3.131 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000245947281 432872878 /nfs/dbraw/zinc/87/28/78/432872878.db2.gz RYJMGQRRTGCIND-OCCSQVGLSA-N 1 0 319.405 3.210 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278435143 432895982 /nfs/dbraw/zinc/89/59/82/432895982.db2.gz PYLRAIRHHDBBOW-UHFFFAOYSA-N 1 0 318.421 3.238 20 5 DGBDRO CC(C)(CCCO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278160334 432888852 /nfs/dbraw/zinc/88/88/52/432888852.db2.gz AUYIXEYYZWQUIW-INIZCTEOSA-N 1 0 306.406 3.361 20 5 DGBDRO CCN1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278295827 432890801 /nfs/dbraw/zinc/89/08/01/432890801.db2.gz RIYIBVTZLXOZPW-QGZVFWFLSA-N 1 0 303.406 3.046 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000245560397 432844116 /nfs/dbraw/zinc/84/41/16/432844116.db2.gz UQQLSIPTSLWIGO-AEAUEXCSSA-N 1 0 302.374 3.203 20 5 DGBDRO CC[C@@H](C)c1nnc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000277431663 432849407 /nfs/dbraw/zinc/84/94/07/432849407.db2.gz NNSUYIXQCFGULV-GHMZBOCLSA-N 1 0 303.366 3.077 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000163293206 432849505 /nfs/dbraw/zinc/84/95/05/432849505.db2.gz PCWPVSVHNTWNOA-AWEZNQCLSA-N 1 0 308.378 3.039 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000331085205 432929400 /nfs/dbraw/zinc/92/94/00/432929400.db2.gz OKUCTVACFJIZON-HOTGVXAUSA-N 1 0 310.369 3.417 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)ccc1[N+](=O)[O-] ZINC000331129888 432930663 /nfs/dbraw/zinc/93/06/63/432930663.db2.gz AQOZIYZWYICWLH-OAHLLOKOSA-N 1 0 322.405 3.429 20 5 DGBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000331292507 432938391 /nfs/dbraw/zinc/93/83/91/432938391.db2.gz QJKDCMMQJAXRPX-JRPNMDOOSA-N 1 0 312.797 3.230 20 5 DGBDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000296912041 432938711 /nfs/dbraw/zinc/93/87/11/432938711.db2.gz WIWKIBLGAMDRLF-FMKPAKJESA-N 1 0 314.389 3.058 20 5 DGBDRO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279222977 432947459 /nfs/dbraw/zinc/94/74/59/432947459.db2.gz ZEDUSVNXJRKHAK-MKBNYLNASA-N 1 0 306.406 3.314 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCCCC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000278803839 432902478 /nfs/dbraw/zinc/90/24/78/432902478.db2.gz RIWOMRSEGUPUIH-AWEZNQCLSA-N 1 0 322.405 3.487 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1C ZINC000279252798 432949652 /nfs/dbraw/zinc/94/96/52/432949652.db2.gz LKCGKQMOYIASHT-BXUZGUMPSA-N 1 0 305.378 3.010 20 5 DGBDRO CC1(C)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000330435832 432908972 /nfs/dbraw/zinc/90/89/72/432908972.db2.gz ARXCBRBOBKYXRV-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCOC2(C)C)c2cc([N+](=O)[O-])ccc21 ZINC000331576409 432949928 /nfs/dbraw/zinc/94/99/28/432949928.db2.gz LDCIIQKWLHHEED-GJZGRUSLSA-N 1 0 304.390 3.474 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000278893425 432913652 /nfs/dbraw/zinc/91/36/52/432913652.db2.gz YSRNZOYGXVESJD-CVEARBPZSA-N 1 0 316.357 3.197 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000330550612 432916897 /nfs/dbraw/zinc/91/68/97/432916897.db2.gz WYSHFETUDLOMNF-AAEUAGOBSA-N 1 0 305.378 3.010 20 5 DGBDRO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296521093 432918616 /nfs/dbraw/zinc/91/86/16/432918616.db2.gz CEWFTQDLIHFGTD-MJBXVCDLSA-N 1 0 319.405 3.035 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000330624510 432920163 /nfs/dbraw/zinc/92/01/63/432920163.db2.gz RLJSJVVXKSCPTM-OAHLLOKOSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000296542757 432920773 /nfs/dbraw/zinc/92/07/73/432920773.db2.gz FKAOYQOMMZNIAR-MEDUHNTESA-N 1 0 304.321 3.118 20 5 DGBDRO CCOC1CC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000279477771 432972787 /nfs/dbraw/zinc/97/27/87/432972787.db2.gz KOQNFKFUCDTIQR-UHFFFAOYSA-N 1 0 318.295 3.271 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000332144219 432977411 /nfs/dbraw/zinc/97/74/11/432977411.db2.gz HIIGWCHRQZJLMD-WZRBSPASSA-N 1 0 302.378 3.385 20 5 DGBDRO Cc1cnn([C@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000290033935 432983054 /nfs/dbraw/zinc/98/30/54/432983054.db2.gz VZLVHGWRQSCZLK-HOCLYGCPSA-N 1 0 314.389 3.416 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1(C)C ZINC000332230624 432988171 /nfs/dbraw/zinc/98/81/71/432988171.db2.gz QDHPFNUFGIDZBN-GFCCVEGCSA-N 1 0 320.389 3.329 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000155121008 292699738 /nfs/dbraw/zinc/69/97/38/292699738.db2.gz PPLGWKVQQVQPRB-CYBMUJFWSA-N 1 0 313.357 3.193 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000332368597 433001363 /nfs/dbraw/zinc/00/13/63/433001363.db2.gz WJRGMENQKXGUAA-ZIAGYGMSSA-N 1 0 314.389 3.269 20 5 DGBDRO Cc1nccn1CCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290363452 433037966 /nfs/dbraw/zinc/03/79/66/433037966.db2.gz GYUNMADOAPENQW-VMPITWQZSA-N 1 0 314.389 3.135 20 5 DGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C1CC1)C1CC1 ZINC000361256838 433065041 /nfs/dbraw/zinc/06/50/41/433065041.db2.gz DLAFYFWFHIKQAG-UHFFFAOYSA-N 1 0 300.362 3.092 20 5 DGBDRO Cc1csc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000453309373 433082374 /nfs/dbraw/zinc/08/23/74/433082374.db2.gz DUIOPCZXUQFHLJ-KGLIPLIRSA-N 1 0 320.418 3.435 20 5 DGBDRO CC[C@](C)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000453309832 433082670 /nfs/dbraw/zinc/08/26/70/433082670.db2.gz XZVHGKBBAFFHAG-NVXWUHKLSA-N 1 0 306.406 3.321 20 5 DGBDRO CCCCn1cc(CNCc2ccc([N+](=O)[O-])cc2F)c(C)n1 ZINC000350257717 433121965 /nfs/dbraw/zinc/12/19/65/433121965.db2.gz VYTAOGHUKQQPJP-UHFFFAOYSA-N 1 0 320.368 3.329 20 5 DGBDRO CCC[C@H](C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000298430561 433137190 /nfs/dbraw/zinc/13/71/90/433137190.db2.gz NQIVVVQCTUDWQI-NSHDSACASA-N 1 0 304.350 3.265 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420258180 433138531 /nfs/dbraw/zinc/13/85/31/433138531.db2.gz JSMBPACPOYFEQS-GZMMTYOYSA-N 1 0 316.188 3.090 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3c[nH]nc32)c(Cl)c1 ZINC000341568532 433138929 /nfs/dbraw/zinc/13/89/29/433138929.db2.gz RHAFKLPQLZXWTI-UHFFFAOYSA-N 1 0 316.748 3.414 20 5 DGBDRO CCc1ccccc1[C@H]([NH3+])CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000420282883 433145395 /nfs/dbraw/zinc/14/53/95/433145395.db2.gz SLUWAXAGDGEGCR-OAHLLOKOSA-N 1 0 314.389 3.281 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000453353543 433112693 /nfs/dbraw/zinc/11/26/93/433112693.db2.gz JNAFEQRHYMONFQ-GFCCVEGCSA-N 1 0 324.421 3.441 20 5 DGBDRO CC(C)[C@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000298382001 433114268 /nfs/dbraw/zinc/11/42/68/433114268.db2.gz AJJYLLKINDUDNY-NSHDSACASA-N 1 0 304.350 3.121 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000354501498 433115580 /nfs/dbraw/zinc/11/55/80/433115580.db2.gz DYYHFWLNHSVPSR-UHFFFAOYSA-N 1 0 317.336 3.196 20 5 DGBDRO CC(C)[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290779760 433165759 /nfs/dbraw/zinc/16/57/59/433165759.db2.gz CCPMKWITQWJVCN-LLVKDONJSA-N 1 0 307.177 3.008 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000350478743 433181561 /nfs/dbraw/zinc/18/15/61/433181561.db2.gz NGSFQKBXQMESFW-WBMJQRKESA-N 1 0 302.378 3.000 20 5 DGBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000336719408 433183997 /nfs/dbraw/zinc/18/39/97/433183997.db2.gz SDUDYZMHQXEYCZ-CJNGLKHVSA-N 1 0 312.373 3.065 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000374445201 433192649 /nfs/dbraw/zinc/19/26/49/433192649.db2.gz XVZDOTIBQPZWRK-GDBMZVCRSA-N 1 0 314.389 3.306 20 5 DGBDRO CC[N@H+](CC1CCC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361480656 433198679 /nfs/dbraw/zinc/19/86/79/433198679.db2.gz DLJLMIWPTSDDMN-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CCC(O)CC1 ZINC000290936012 433213327 /nfs/dbraw/zinc/21/33/27/433213327.db2.gz SQBUGGWVEDWVSA-UHFFFAOYSA-N 1 0 319.188 3.295 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccc(F)c2)n1 ZINC000447533514 433217752 /nfs/dbraw/zinc/21/77/52/433217752.db2.gz XWGNXRGLJLRZAK-CABCVRRESA-N 1 0 318.352 3.204 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(CO)CCCC1 ZINC000453612414 433239419 /nfs/dbraw/zinc/23/94/19/433239419.db2.gz JOXBKRYAYHSSMX-MRXNPFEDSA-N 1 0 306.406 3.262 20 5 DGBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000298857306 433263163 /nfs/dbraw/zinc/26/31/63/433263163.db2.gz BJJLLPFIXONHDR-UHFFFAOYSA-N 1 0 316.361 3.017 20 5 DGBDRO Cc1ccc([C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000350724569 433264433 /nfs/dbraw/zinc/26/44/33/433264433.db2.gz LWWPPVARUCSXTJ-AWEZNQCLSA-N 1 0 302.378 3.101 20 5 DGBDRO C[C@H](O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291702501 433320844 /nfs/dbraw/zinc/32/08/44/433320844.db2.gz ZCYVOBADFPHMGV-QMMMGPOBSA-N 1 0 307.177 3.152 20 5 DGBDRO COc1cccc(NC[C@@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447805498 433284765 /nfs/dbraw/zinc/28/47/65/433284765.db2.gz IUDHTWCEVDFQRS-AWEZNQCLSA-N 1 0 307.394 3.136 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000291828640 433367226 /nfs/dbraw/zinc/36/72/26/433367226.db2.gz ZZRYKVSKWNMPGL-AWEZNQCLSA-N 1 0 315.348 3.102 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414147320 433425982 /nfs/dbraw/zinc/42/59/82/433425982.db2.gz QHWRENKSFKVDRF-OWCLPIDISA-N 1 0 304.390 3.073 20 5 DGBDRO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CCC1CC1 ZINC000355033333 433426628 /nfs/dbraw/zinc/42/66/28/433426628.db2.gz DINCSFCGZIUGSX-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](OCC)C2)cc1[N+](=O)[O-] ZINC000414153145 433427984 /nfs/dbraw/zinc/42/79/84/433427984.db2.gz YPCDTLBKAZAXKH-FPMFFAJLSA-N 1 0 308.378 3.212 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000421029191 433399093 /nfs/dbraw/zinc/39/90/93/433399093.db2.gz XGPCFTIVYWTBFA-CQSZACIVSA-N 1 0 314.389 3.096 20 5 DGBDRO C[NH+](C)CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301065787 433400722 /nfs/dbraw/zinc/40/07/22/433400722.db2.gz XPTOYTMHBFBZHW-UHFFFAOYSA-N 1 0 311.691 3.241 20 5 DGBDRO CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H](C)C1 ZINC000281860777 433411399 /nfs/dbraw/zinc/41/13/99/433411399.db2.gz ALUZVHARBLHNQK-CZUORRHYSA-N 1 0 322.405 3.381 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301149958 433433858 /nfs/dbraw/zinc/43/38/58/433433858.db2.gz MGTWZYWNTVYFRY-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO Cc1cc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])nn1C ZINC000281946007 433439831 /nfs/dbraw/zinc/43/98/31/433439831.db2.gz BTLPOJHBATUZLY-NSHDSACASA-N 1 0 322.796 3.183 20 5 DGBDRO COCC[C@@H](C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414195885 433453060 /nfs/dbraw/zinc/45/30/60/433453060.db2.gz JLSOPCAQECXOFI-CZUORRHYSA-N 1 0 306.406 3.178 20 5 DGBDRO CC(=O)c1ccc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301212568 433457062 /nfs/dbraw/zinc/45/70/62/433457062.db2.gz XPZYMFXZOFZAFR-AWEZNQCLSA-N 1 0 317.389 3.226 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CCOC)cc1[N+](=O)[O-] ZINC000414197931 433459527 /nfs/dbraw/zinc/45/95/27/433459527.db2.gz KFVMEDVMGDMXJU-STQMWFEESA-N 1 0 310.394 3.317 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000245560403 290032811 /nfs/dbraw/zinc/03/28/11/290032811.db2.gz UQQLSIPTSLWIGO-SRMUXQRQSA-N 1 0 302.374 3.203 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000355105476 433464029 /nfs/dbraw/zinc/46/40/29/433464029.db2.gz HYWPTTSWAOHYSW-OLZOCXBDSA-N 1 0 322.405 3.480 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000282034769 433470630 /nfs/dbraw/zinc/47/06/30/433470630.db2.gz UCHRBEFOBUVNCX-AWEZNQCLSA-N 1 0 321.380 3.376 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(C)CC1 ZINC000339255445 433471738 /nfs/dbraw/zinc/47/17/38/433471738.db2.gz UKFVJJGYWSVBFT-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1ccnc(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301266906 433481346 /nfs/dbraw/zinc/48/13/46/433481346.db2.gz GTXBOMBFFLWZJV-KBPBESRZSA-N 1 0 320.437 3.468 20 5 DGBDRO CC[C@@H](C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000421368875 433510071 /nfs/dbraw/zinc/51/00/71/433510071.db2.gz BYYHDMZYQUFWIY-DOMZBBRYSA-N 1 0 302.378 3.053 20 5 DGBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000282148670 433512666 /nfs/dbraw/zinc/51/26/66/433512666.db2.gz SORDXVIWNVECEB-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1ccc(CN2CCOc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000426536023 433527429 /nfs/dbraw/zinc/52/74/29/433527429.db2.gz DEIUZJMWIUSFDR-UHFFFAOYSA-N 1 0 316.332 3.437 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2)n1 ZINC000351489197 433528179 /nfs/dbraw/zinc/52/81/79/433528179.db2.gz CHDMYTXKNGCEBD-LSDHHAIUSA-N 1 0 300.362 3.065 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1[N+](=O)[O-] ZINC000414303429 433530228 /nfs/dbraw/zinc/53/02/28/433530228.db2.gz PHGXAMNNMPRHOC-SUHUHFCYSA-N 1 0 314.332 3.103 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCC1(O)CCC1 ZINC000421389947 433533184 /nfs/dbraw/zinc/53/31/84/433533184.db2.gz RWDQZYSBYOFVRH-CQSZACIVSA-N 1 0 306.406 3.201 20 5 DGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000351499955 433535534 /nfs/dbraw/zinc/53/55/34/433535534.db2.gz DSTHIKNFVLCTHS-VHSXEESVSA-N 1 0 317.311 3.142 20 5 DGBDRO Cc1ccnc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301276682 433485787 /nfs/dbraw/zinc/48/57/87/433485787.db2.gz IZHSCYZIGCUSRY-MBNYWOFBSA-N 1 0 306.410 3.077 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)c1cccnc1 ZINC000414324168 433540357 /nfs/dbraw/zinc/54/03/57/433540357.db2.gz BAUUTTHMISMBAM-AWEZNQCLSA-N 1 0 313.401 3.488 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414257178 433490374 /nfs/dbraw/zinc/49/03/74/433490374.db2.gz DIJFDJUOWBAMFF-HOSILWTGSA-N 1 0 306.406 3.319 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414257181 433493107 /nfs/dbraw/zinc/49/31/07/433493107.db2.gz DIJFDJUOWBAMFF-NYTXWWLZSA-N 1 0 306.406 3.319 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000301298665 433494966 /nfs/dbraw/zinc/49/49/66/433494966.db2.gz YZOCRRAFVGVUGO-CQSZACIVSA-N 1 0 314.389 3.231 20 5 DGBDRO CC(C)([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000292191583 433500022 /nfs/dbraw/zinc/50/00/22/433500022.db2.gz RNSPHZNKFYEVAR-INIZCTEOSA-N 1 0 318.348 3.292 20 5 DGBDRO O=C(C[N@@H+]1CC[C@H]2CCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426454559 433503598 /nfs/dbraw/zinc/50/35/98/433503598.db2.gz QNKOUTOIWOWSTF-ZWNOBZJWSA-N 1 0 323.780 3.061 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cc[nH]c(=O)c1 ZINC000339458337 433594437 /nfs/dbraw/zinc/59/44/37/433594437.db2.gz ONGLHEBBWIWVJU-VIFPVBQESA-N 1 0 307.737 3.200 20 5 DGBDRO Cc1cnc(NC[C@H](C2CCCCC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301423375 433547315 /nfs/dbraw/zinc/54/73/15/433547315.db2.gz FUOXPYQWKCNVIT-OAHLLOKOSA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1ccc(C[NH+]2CCC(c3ccncn3)CC2)cc1[N+](=O)[O-] ZINC000414468917 433632693 /nfs/dbraw/zinc/63/26/93/433632693.db2.gz HLLGNRSYZVECMJ-UHFFFAOYSA-N 1 0 312.373 3.073 20 5 DGBDRO CCC(CC)[C@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000162175179 292848670 /nfs/dbraw/zinc/84/86/70/292848670.db2.gz VDSLQIDXLSUYAF-FUHWJXTLSA-N 1 0 320.433 3.303 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000164847474 292877367 /nfs/dbraw/zinc/87/73/67/292877367.db2.gz HVWKEFRYBWFYPI-GFCCVEGCSA-N 1 0 314.341 3.217 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)cccc1[N+](=O)[O-] ZINC000282426083 433606944 /nfs/dbraw/zinc/60/69/44/433606944.db2.gz MBSWXTXMWGHOAJ-WFASDCNBSA-N 1 0 314.389 3.365 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000301582262 433622762 /nfs/dbraw/zinc/62/27/62/433622762.db2.gz UFTLHVKIILGAQU-UHFFFAOYSA-N 1 0 317.414 3.435 20 5 DGBDRO Cc1nc(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301638596 433654385 /nfs/dbraw/zinc/65/43/85/433654385.db2.gz LPERNBKMTYMVPY-KBPBESRZSA-N 1 0 320.437 3.468 20 5 DGBDRO CCC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283089064 433659384 /nfs/dbraw/zinc/65/93/84/433659384.db2.gz LEMKIDXGHCFTFF-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414491056 433662497 /nfs/dbraw/zinc/66/24/97/433662497.db2.gz WPAJSZKRBUZXBH-AEFFLSMTSA-N 1 0 312.369 3.211 20 5 DGBDRO C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CS1 ZINC000414496895 433665221 /nfs/dbraw/zinc/66/52/21/433665221.db2.gz DZSWCSGACQEHDG-WPRPVWTQSA-N 1 0 318.345 3.180 20 5 DGBDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000342414743 433674895 /nfs/dbraw/zinc/67/48/95/433674895.db2.gz CSUYNBAYXMWAOS-OAHLLOKOSA-N 1 0 313.401 3.205 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414514231 433677720 /nfs/dbraw/zinc/67/77/20/433677720.db2.gz LKJPEWCPECUKGH-QZYJBVKLSA-N 1 0 304.390 3.401 20 5 DGBDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293278667 433682392 /nfs/dbraw/zinc/68/23/92/433682392.db2.gz CQLAIBQCJXYMBE-GFCCVEGCSA-N 1 0 315.373 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1F ZINC000366996979 293011790 /nfs/dbraw/zinc/01/17/90/293011790.db2.gz POLAUIWFHKEMLY-ZFWWWQNUSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1NCCC[NH2+]C1CCCCC1 ZINC000301747266 433704205 /nfs/dbraw/zinc/70/42/05/433704205.db2.gz QUIXEOHUIGRMFH-UHFFFAOYSA-N 1 0 312.801 3.368 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301747574 433707888 /nfs/dbraw/zinc/70/78/88/433707888.db2.gz RDGRZRFHZGJCSJ-GFCCVEGCSA-N 1 0 312.801 3.320 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000449063432 433721998 /nfs/dbraw/zinc/72/19/98/433721998.db2.gz MRFYYSKJZWBTEC-BBRMVZONSA-N 1 0 317.389 3.011 20 5 DGBDRO CO[C@@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000374650617 293430186 /nfs/dbraw/zinc/43/01/86/293430186.db2.gz XUIFSWXDEUDORU-CQSZACIVSA-N 1 0 315.373 3.457 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000283542662 433744680 /nfs/dbraw/zinc/74/46/80/433744680.db2.gz LXIKIGBXBBIHSG-MRXNPFEDSA-N 1 0 318.352 3.031 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3cccnc3CC2)cc1 ZINC000421825897 433750638 /nfs/dbraw/zinc/75/06/38/433750638.db2.gz PVXFLTDWEFDCAE-INIZCTEOSA-N 1 0 311.385 3.070 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@@H]([NH3+])CC(C)C)no2)c1 ZINC000414621691 433752365 /nfs/dbraw/zinc/75/23/65/433752365.db2.gz RVHWEVHNOMJECK-LBPRGKRZSA-N 1 0 320.349 3.089 20 5 DGBDRO CCSCC[C@H](C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000362447691 433722958 /nfs/dbraw/zinc/72/29/58/433722958.db2.gz CWPFYETUKXVKCT-ZDUSSCGKSA-N 1 0 312.435 3.437 20 5 DGBDRO COc1cc(NCC[NH+]2CCCCCC2)c(F)cc1[N+](=O)[O-] ZINC000301893235 433777458 /nfs/dbraw/zinc/77/74/58/433777458.db2.gz SIPKULWOQOBRCD-UHFFFAOYSA-N 1 0 311.357 3.030 20 5 DGBDRO [NH3+]C[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414666295 433779372 /nfs/dbraw/zinc/77/93/72/433779372.db2.gz WBDGYCDDVRPIHK-AWEZNQCLSA-N 1 0 317.414 3.246 20 5 DGBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000429573256 433779861 /nfs/dbraw/zinc/77/98/61/433779861.db2.gz YSYISLOUCSKUQQ-FZMZJTMJSA-N 1 0 306.362 3.082 20 5 DGBDRO COc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1C ZINC000293574293 433787778 /nfs/dbraw/zinc/78/77/78/433787778.db2.gz DPORDLDOURVKDM-GFCCVEGCSA-N 1 0 315.373 3.345 20 5 DGBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000283853141 433788695 /nfs/dbraw/zinc/78/86/95/433788695.db2.gz BGVAKDQLWLQESG-SJKOYZFVSA-N 1 0 315.373 3.215 20 5 DGBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000283853135 433789328 /nfs/dbraw/zinc/78/93/28/433789328.db2.gz BGVAKDQLWLQESG-SJCJKPOMSA-N 1 0 315.373 3.215 20 5 DGBDRO COc1cc(N[C@H](C)C[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000301909302 433793551 /nfs/dbraw/zinc/79/35/51/433793551.db2.gz AXJAKSWOQBFQPC-LLVKDONJSA-N 1 0 311.357 3.029 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000283942911 433803604 /nfs/dbraw/zinc/80/36/04/433803604.db2.gz AFQYUUPECLWHIZ-DOTOQJQBSA-N 1 0 320.389 3.137 20 5 DGBDRO Cc1cc(N[C@H](C)C[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000302041036 433814302 /nfs/dbraw/zinc/81/43/02/433814302.db2.gz WJVDUYNAJYGYRX-CQSZACIVSA-N 1 0 314.389 3.231 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000375703607 293559510 /nfs/dbraw/zinc/55/95/10/293559510.db2.gz XOVTUSVMUXPYBV-UHFFFAOYSA-N 1 0 310.781 3.297 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000302712377 433833218 /nfs/dbraw/zinc/83/32/18/433833218.db2.gz XFWIDPJWHPOWEY-GFCCVEGCSA-N 1 0 309.797 3.231 20 5 DGBDRO CCCC[C@H](C[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414813867 433854249 /nfs/dbraw/zinc/85/42/49/433854249.db2.gz NAIAVASQWJPJAV-CYBMUJFWSA-N 1 0 317.389 3.462 20 5 DGBDRO CCCC[C@H](C[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414814875 433860047 /nfs/dbraw/zinc/86/00/47/433860047.db2.gz OLNKFHADNSUMBX-CQSZACIVSA-N 1 0 317.389 3.462 20 5 DGBDRO COC1(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000293791622 433872575 /nfs/dbraw/zinc/87/25/75/433872575.db2.gz UIDKPXYQBKJPGI-AWEZNQCLSA-N 1 0 306.406 3.465 20 5 DGBDRO Cc1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n(C)n1 ZINC000284474983 433899495 /nfs/dbraw/zinc/89/94/95/433899495.db2.gz UNYWWYGWKITOAX-MRXNPFEDSA-N 1 0 314.389 3.149 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](O)CC3)o2)c1 ZINC000293870474 433900623 /nfs/dbraw/zinc/90/06/23/433900623.db2.gz CMEOUDXUFYGULT-OAHLLOKOSA-N 1 0 316.357 3.202 20 5 DGBDRO C[C@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000362895444 433901490 /nfs/dbraw/zinc/90/14/90/433901490.db2.gz BLVWHPFMOOTGJO-DZGCQCFKSA-N 1 0 303.406 3.262 20 5 DGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1OC(F)F)C(C)C ZINC000357238889 433924569 /nfs/dbraw/zinc/92/45/69/433924569.db2.gz YRGOPQTTYIHZSH-UHFFFAOYSA-N 1 0 317.336 3.338 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2CCC2CCCC2)c1 ZINC000362954008 433926060 /nfs/dbraw/zinc/92/60/60/433926060.db2.gz FQOHYXIWDQEDOP-OAHLLOKOSA-N 1 0 306.410 3.226 20 5 DGBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414949705 433929373 /nfs/dbraw/zinc/92/93/73/433929373.db2.gz GMMRNIQMBJRGRR-LRDDRELGSA-N 1 0 315.373 3.085 20 5 DGBDRO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000377830946 293718057 /nfs/dbraw/zinc/71/80/57/293718057.db2.gz IOLBNUATMNVYBE-OAHLLOKOSA-N 1 0 314.389 3.075 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC(C)(C)CC1 ZINC000303893924 433971784 /nfs/dbraw/zinc/97/17/84/433971784.db2.gz KNSQEFAXYHFDPB-CYBMUJFWSA-N 1 0 319.405 3.434 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422708986 433941350 /nfs/dbraw/zinc/94/13/50/433941350.db2.gz CPKCFGOXMQCCOJ-HIFRSBDPSA-N 1 0 321.421 3.004 20 5 DGBDRO CO[C@@H](Cc1ccccc1)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000450225825 434038022 /nfs/dbraw/zinc/03/80/22/434038022.db2.gz HMYNUMPIOIZRGC-KRWDZBQOSA-N 1 0 314.385 3.284 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000377959213 434044461 /nfs/dbraw/zinc/04/44/61/434044461.db2.gz UVDQXPZDQVKQAF-UHFFFAOYSA-N 1 0 306.410 3.265 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000450257966 434063068 /nfs/dbraw/zinc/06/30/68/434063068.db2.gz YJOCRMYECBBMGR-GDBMZVCRSA-N 1 0 312.373 3.182 20 5 DGBDRO C[C@H]1[C@@H](Nc2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000309878562 434102811 /nfs/dbraw/zinc/10/28/11/434102811.db2.gz IVUKESPJGQNSIB-ZFWWWQNUSA-N 1 0 312.373 3.065 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000500473927 294114196 /nfs/dbraw/zinc/11/41/96/294114196.db2.gz FEJGOKFXMKKCDG-FAQJLRJSSA-N 1 0 312.316 3.358 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C1CC1 ZINC000504900513 294223925 /nfs/dbraw/zinc/22/39/25/294223925.db2.gz ZCVYFDMWIXYWLB-BBRMVZONSA-N 1 0 324.446 3.216 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC([NH+]2CCCCC2)CC1 ZINC000505786089 294253614 /nfs/dbraw/zinc/25/36/14/294253614.db2.gz XXEDWQXAXIBSHT-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505841552 294255969 /nfs/dbraw/zinc/25/59/69/294255969.db2.gz WWUJFNINWSXAGM-OAHLLOKOSA-N 1 0 312.369 3.496 20 5 DGBDRO Cc1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000506368287 294270474 /nfs/dbraw/zinc/27/04/74/294270474.db2.gz HTZBCNISGOCPMJ-UHFFFAOYSA-N 1 0 317.433 3.354 20 5 DGBDRO COCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000507151940 294284795 /nfs/dbraw/zinc/28/47/95/294284795.db2.gz MQCOBJLEKRXGNA-UHFFFAOYSA-N 1 0 316.357 3.466 20 5 DGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000510488773 294384515 /nfs/dbraw/zinc/38/45/15/294384515.db2.gz LNPQFHQFMNQCEO-HNNXBMFYSA-N 1 0 301.390 3.073 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC1CCCC1 ZINC000511009006 294398566 /nfs/dbraw/zinc/39/85/66/294398566.db2.gz BIVFBTLBGXLMCI-RHSMWYFYSA-N 1 0 320.433 3.447 20 5 DGBDRO COc1cccc(C[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000357696553 434133102 /nfs/dbraw/zinc/13/31/02/434133102.db2.gz KONMIVBUJSFPSY-GFCCVEGCSA-N 1 0 315.373 3.028 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000340446253 434136210 /nfs/dbraw/zinc/13/62/10/434136210.db2.gz KVBDIRIUIXCDLA-STQMWFEESA-N 1 0 315.373 3.367 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccn1 ZINC000340505124 434168256 /nfs/dbraw/zinc/16/82/56/434168256.db2.gz HMSISADERXGJOM-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000346172635 434170500 /nfs/dbraw/zinc/17/05/00/434170500.db2.gz GCULEHSXYRPXEC-NWDGAFQWSA-N 1 0 311.813 3.163 20 5 DGBDRO C[C@]1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000513822246 294485404 /nfs/dbraw/zinc/48/54/04/294485404.db2.gz YPRLPSGLDWQRHO-UWWQBHOKSA-N 1 0 318.417 3.322 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000357814920 434196303 /nfs/dbraw/zinc/19/63/03/434196303.db2.gz UXPLTLICFBVODW-IAGOWNOFSA-N 1 0 318.417 3.417 20 5 DGBDRO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295102644 434200486 /nfs/dbraw/zinc/20/04/86/434200486.db2.gz TUFHHSFWQUSCBJ-YCPHGPKFSA-N 1 0 320.433 3.445 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450485373 434220872 /nfs/dbraw/zinc/22/08/72/434220872.db2.gz NGNOLWXFZPRVJD-SFHVURJKSA-N 1 0 317.433 3.216 20 5 DGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000320838407 434240022 /nfs/dbraw/zinc/24/00/22/434240022.db2.gz OEPOGHOZRVMUNK-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000321153660 434245481 /nfs/dbraw/zinc/24/54/81/434245481.db2.gz GHNCRUYJWNQKLB-SJORKVTESA-N 1 0 318.417 3.465 20 5 DGBDRO CC1(C)CC(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000515163842 294542577 /nfs/dbraw/zinc/54/25/77/294542577.db2.gz PQVFUXHUBIYNKJ-KBPBESRZSA-N 1 0 306.410 3.301 20 5 DGBDRO COc1cccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000321822618 434255466 /nfs/dbraw/zinc/25/54/66/434255466.db2.gz OHGHESIYNQBKRG-ZDUSSCGKSA-N 1 0 316.357 3.333 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCC3=CCCCC3)C2)nc1 ZINC000450567047 434269972 /nfs/dbraw/zinc/26/99/72/434269972.db2.gz LHJBIDMRGDUCCD-HNNXBMFYSA-N 1 0 316.405 3.367 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000378562488 434222507 /nfs/dbraw/zinc/22/25/07/434222507.db2.gz FJGCONSDMXQNJR-MRXNPFEDSA-N 1 0 322.368 3.392 20 5 DGBDRO COc1ncc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000295142264 434224779 /nfs/dbraw/zinc/22/47/79/434224779.db2.gz ZZHCRNSZYYVLKX-UHFFFAOYSA-N 1 0 321.764 3.250 20 5 DGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC(C)(C)CO ZINC000295272516 434283394 /nfs/dbraw/zinc/28/33/94/434283394.db2.gz SCOPUBRVBZSJEQ-UHFFFAOYSA-N 1 0 320.311 3.064 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423209638 434286759 /nfs/dbraw/zinc/28/67/59/434286759.db2.gz IZTCIOUZNASTLE-KBPBESRZSA-N 1 0 323.462 3.055 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000437544409 434287057 /nfs/dbraw/zinc/28/70/57/434287057.db2.gz ZLHNGSUKHBJZOF-GDBMZVCRSA-N 1 0 322.430 3.334 20 5 DGBDRO C[N@H+](CCNc1ncc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000387327240 434320983 /nfs/dbraw/zinc/32/09/83/434320983.db2.gz CXIWPBBCVSJPRJ-UHFFFAOYSA-N 1 0 320.780 3.187 20 5 DGBDRO Cc1nc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000358090989 434325625 /nfs/dbraw/zinc/32/56/25/434325625.db2.gz WZNQUQREMJTEHZ-JTQLQIEISA-N 1 0 307.375 3.089 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353681725 434332903 /nfs/dbraw/zinc/33/29/03/434332903.db2.gz BJDOJWMKXJEVBE-IVMMDQJWSA-N 1 0 314.389 3.196 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCOC1)CCCC2 ZINC000417341677 434361824 /nfs/dbraw/zinc/36/18/24/434361824.db2.gz ODVZZBATXKLBIU-GUYCJALGSA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@H](CCO)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417351151 434362178 /nfs/dbraw/zinc/36/21/78/434362178.db2.gz RCGDQFVDLYTCPC-GUYCJALGSA-N 1 0 306.406 3.361 20 5 DGBDRO CCc1ccc([C@@H](NC[C@@H](C)C[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423308927 434353518 /nfs/dbraw/zinc/35/35/18/434353518.db2.gz PHGYUVMUYQRHGK-SJCJKPOMSA-N 1 0 317.389 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cccnc21 ZINC000390312222 434355055 /nfs/dbraw/zinc/35/50/55/434355055.db2.gz GGUDTKFPWHEUSP-LBPRGKRZSA-N 1 0 312.373 3.039 20 5 DGBDRO C[C@](O)(C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417318227 434355943 /nfs/dbraw/zinc/35/59/43/434355943.db2.gz YHTRFIAFQMAHNC-IRXDYDNUSA-N 1 0 304.390 3.113 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCC[C@H]1O ZINC000348556393 434397881 /nfs/dbraw/zinc/39/78/81/434397881.db2.gz OYPWAXYIYCJHCW-JKSUJKDBSA-N 1 0 316.357 3.200 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000423421093 434414725 /nfs/dbraw/zinc/41/47/25/434414725.db2.gz JRTNHSPRGZFPHP-FZKQIMNGSA-N 1 0 311.385 3.132 20 5 DGBDRO CCc1ccc([C@@H](NC[C@H]([NH3+])CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423461105 434433830 /nfs/dbraw/zinc/43/38/30/434433830.db2.gz JKRKRQXLHHJDHR-DYVFJYSZSA-N 1 0 317.389 3.167 20 5 DGBDRO C[C@@H]1C[C@@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397394408 434435653 /nfs/dbraw/zinc/43/56/53/434435653.db2.gz KVORESXMKBAGDW-WZRBSPASSA-N 1 0 311.813 3.053 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCOCC3)o2)cc1 ZINC000360072472 434502708 /nfs/dbraw/zinc/50/27/08/434502708.db2.gz CHTNJZJVMLEAGB-UHFFFAOYSA-N 1 0 302.330 3.077 20 5 DGBDRO Cc1cc(N2CCC3(CCC[N@H+]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000360065467 434503061 /nfs/dbraw/zinc/50/30/61/434503061.db2.gz ILHBPZNCRHCFCG-UHFFFAOYSA-N 1 0 307.369 3.107 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000450957585 434504109 /nfs/dbraw/zinc/50/41/09/434504109.db2.gz UKFWLVLPWPBJGY-AWEZNQCLSA-N 1 0 314.389 3.062 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000353817042 434455413 /nfs/dbraw/zinc/45/54/13/434455413.db2.gz GBRUIBYOUVSINY-SKJVMOOOSA-N 1 0 303.406 3.023 20 5 DGBDRO CC1(C)CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000407999646 434534650 /nfs/dbraw/zinc/53/46/50/434534650.db2.gz WPXQEAHIMSHPJK-UHFFFAOYSA-N 1 0 306.362 3.083 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000408086285 434540081 /nfs/dbraw/zinc/54/00/81/434540081.db2.gz HSSWDHDBHMRQCH-QLFBSQMISA-N 1 0 318.421 3.140 20 5 DGBDRO Cc1ccnc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000408174051 434547275 /nfs/dbraw/zinc/54/72/75/434547275.db2.gz FZNAEFYELVQXGL-QLFBSQMISA-N 1 0 318.421 3.140 20 5 DGBDRO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000451090753 434558138 /nfs/dbraw/zinc/55/81/38/434558138.db2.gz UOUJWOYCWDWZPN-LBPRGKRZSA-N 1 0 323.824 3.164 20 5 DGBDRO C[C@@H](Cc1ccccc1F)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000525868304 295039263 /nfs/dbraw/zinc/03/92/63/295039263.db2.gz WPAYFDWYACXRGO-ZDUSSCGKSA-N 1 0 318.348 3.334 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1CO ZINC000527038865 295073077 /nfs/dbraw/zinc/07/30/77/295073077.db2.gz OOGPDDJZMZJQAK-NTEUORMPSA-N 1 0 312.369 3.280 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000354018421 434582142 /nfs/dbraw/zinc/58/21/42/434582142.db2.gz PWUHFSSYBJTROI-GVXVVHGQSA-N 1 0 310.419 3.396 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CC1(C)C ZINC000418112946 434590005 /nfs/dbraw/zinc/59/00/05/434590005.db2.gz ZJZNQKIQGZSAJK-CABCVRRESA-N 1 0 320.389 3.376 20 5 DGBDRO C[NH+](C)CCN(Cc1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000459742587 434692391 /nfs/dbraw/zinc/69/23/91/434692391.db2.gz FMDAGKMOVPXXSO-UHFFFAOYSA-N 1 0 319.430 3.220 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000360621601 434652799 /nfs/dbraw/zinc/65/27/99/434652799.db2.gz TZHYWJRXHNABSG-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO C[N@@H+]1CCC[C@]2(CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000354167924 434653628 /nfs/dbraw/zinc/65/36/28/434653628.db2.gz USJZSQOAKXUMLW-GINYUPMKSA-N 1 0 315.417 3.026 20 5 DGBDRO CCOC[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000459676280 434660628 /nfs/dbraw/zinc/66/06/28/434660628.db2.gz NKYGWDQEKGUXPJ-GQSKFBFOSA-N 1 0 304.390 3.499 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000360668658 434665222 /nfs/dbraw/zinc/66/52/22/434665222.db2.gz IUHJKTWSSFNIMM-MBNYWOFBSA-N 1 0 306.410 3.077 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000349356658 434689844 /nfs/dbraw/zinc/68/98/44/434689844.db2.gz VYVANRNULMLDSQ-LRDDRELGSA-N 1 0 316.357 3.058 20 5 DGBDRO [NH3+]C1(c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)CCCCC1 ZINC000424336008 434703277 /nfs/dbraw/zinc/70/32/77/434703277.db2.gz IADXWRSAFZYLLX-HJWRWDBZSA-N 1 0 314.345 3.266 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCC3CCCC3)C2)nc1 ZINC000440485071 434704758 /nfs/dbraw/zinc/70/47/58/434704758.db2.gz HPPIFJZZUMEOPE-OAHLLOKOSA-N 1 0 318.421 3.446 20 5 DGBDRO CC(C)c1ncc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000440485802 434706266 /nfs/dbraw/zinc/70/62/66/434706266.db2.gz NHJNSUFHSPPUAR-UHFFFAOYSA-N 1 0 314.389 3.183 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000459791798 434721367 /nfs/dbraw/zinc/72/13/67/434721367.db2.gz TVZFEFJLBXEHGX-GUIRCDHDSA-N 1 0 317.389 3.008 20 5 DGBDRO C[C@@H](C1CC1)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411173267 434738530 /nfs/dbraw/zinc/73/85/30/434738530.db2.gz LQRKRIZHHHYZNX-LBPRGKRZSA-N 1 0 317.389 3.186 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000360961758 434744533 /nfs/dbraw/zinc/74/45/33/434744533.db2.gz UBTUMNSBGDAJRE-ZDUSSCGKSA-N 1 0 323.441 3.186 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCOCC2CCC2)C2CC2)c1 ZINC000419248698 434756837 /nfs/dbraw/zinc/75/68/37/434756837.db2.gz YEDHOQFQOIKJJY-UHFFFAOYSA-N 1 0 304.390 3.376 20 5 DGBDRO C[C@H]([N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000411321844 434760456 /nfs/dbraw/zinc/76/04/56/434760456.db2.gz CUHMUMRMPSVJEM-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)[C@H]1C ZINC000419394179 434786319 /nfs/dbraw/zinc/78/63/19/434786319.db2.gz ONKACMUQNJFEIM-WOPDTQHZSA-N 1 0 316.361 3.121 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H]1OC ZINC000361154169 434815247 /nfs/dbraw/zinc/81/52/47/434815247.db2.gz LWCKTQPACNMSIE-OIISXLGYSA-N 1 0 322.405 3.000 20 5 DGBDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000372525155 434837748 /nfs/dbraw/zinc/83/77/48/434837748.db2.gz XLPIOCKOEQMNSU-VUCTXSBTSA-N 1 0 304.390 3.451 20 5 DGBDRO COC1([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCC1 ZINC000412021338 434854374 /nfs/dbraw/zinc/85/43/74/434854374.db2.gz MCUPNZWAQUUMMZ-ZDUSSCGKSA-N 1 0 322.405 3.429 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412042011 434859647 /nfs/dbraw/zinc/85/96/47/434859647.db2.gz MARULWYTVBMSLS-NWDGAFQWSA-N 1 0 305.378 3.042 20 5 DGBDRO Cc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461936087 434891706 /nfs/dbraw/zinc/89/17/06/434891706.db2.gz QGPSOXSPGPOMTA-CQSZACIVSA-N 1 0 321.396 3.210 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000491975635 434893968 /nfs/dbraw/zinc/89/39/68/434893968.db2.gz DTNCNZQZELBEPJ-NEPJUHHUSA-N 1 0 311.813 3.163 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000462367783 434909987 /nfs/dbraw/zinc/90/99/87/434909987.db2.gz FTRXLIUDNBEZBO-JTQLQIEISA-N 1 0 317.336 3.338 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000492175882 434930477 /nfs/dbraw/zinc/93/04/77/434930477.db2.gz NVTVMZGGXZXJJK-OLZOCXBDSA-N 1 0 324.808 3.497 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000464091951 434977511 /nfs/dbraw/zinc/97/75/11/434977511.db2.gz JRJKYQZEWVPLQH-CABCVRRESA-N 1 0 310.369 3.416 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000555696631 434984231 /nfs/dbraw/zinc/98/42/31/434984231.db2.gz JHIAWNXFHKRBID-CQSZACIVSA-N 1 0 320.389 3.104 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000555696627 434985364 /nfs/dbraw/zinc/98/53/64/434985364.db2.gz JHIAWNXFHKRBID-AWEZNQCLSA-N 1 0 320.389 3.104 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000524893399 434995373 /nfs/dbraw/zinc/99/53/73/434995373.db2.gz QOZIWFMBITZPTO-JKSUJKDBSA-N 1 0 322.405 3.109 20 5 DGBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000464740279 434995964 /nfs/dbraw/zinc/99/59/64/434995964.db2.gz QATHSECNPFJSMA-ZFWWWQNUSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532216743 435148701 /nfs/dbraw/zinc/14/87/01/435148701.db2.gz CANIMBBILJUCHI-VXGBXAGGSA-N 1 0 302.378 3.357 20 5 DGBDRO C[C@H]([N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000558573429 435097367 /nfs/dbraw/zinc/09/73/67/435097367.db2.gz IYWAUUPTNKYOEM-LBPRGKRZSA-N 1 0 307.394 3.290 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000531938789 435129343 /nfs/dbraw/zinc/12/93/43/435129343.db2.gz SLCORCNVJFJNNU-AWEZNQCLSA-N 1 0 302.378 3.231 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000531938791 435129691 /nfs/dbraw/zinc/12/96/91/435129691.db2.gz SLCORCNVJFJNNU-CQSZACIVSA-N 1 0 302.378 3.231 20 5 DGBDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000531958707 435130857 /nfs/dbraw/zinc/13/08/57/435130857.db2.gz RTQAWMRPVLSCDZ-NSHDSACASA-N 1 0 302.378 3.279 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000532025039 435136429 /nfs/dbraw/zinc/13/64/29/435136429.db2.gz RBKQZGJIFVYBJB-DYVFJYSZSA-N 1 0 318.373 3.080 20 5 DGBDRO C[C@@H]([NH3+])c1ccc(OCCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000579227386 435138221 /nfs/dbraw/zinc/13/82/21/435138221.db2.gz FEGUPCWRCAVJPU-GFCCVEGCSA-N 1 0 302.330 3.072 20 5 DGBDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000559817030 435138960 /nfs/dbraw/zinc/13/89/60/435138960.db2.gz OHUOKFYKSFSFHS-BBRMVZONSA-N 1 0 302.330 3.122 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN(C)CC(F)(F)F ZINC000532225000 435150647 /nfs/dbraw/zinc/15/06/47/435150647.db2.gz GHNKAMRYVPPPFY-LLVKDONJSA-N 1 0 319.327 3.048 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000494450180 435195680 /nfs/dbraw/zinc/19/56/80/435195680.db2.gz CLZPMUDCBOFVTM-CQSZACIVSA-N 1 0 314.389 3.019 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCC[C@@H](C)C1 ZINC000532458803 435167508 /nfs/dbraw/zinc/16/75/08/435167508.db2.gz LRMHAZFBNIBATN-UKRRQHHQSA-N 1 0 305.422 3.286 20 5 DGBDRO CCCCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000532493403 435169392 /nfs/dbraw/zinc/16/93/92/435169392.db2.gz MMKBCULZKKSUNF-UHFFFAOYSA-N 1 0 321.421 3.458 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000532542190 435175068 /nfs/dbraw/zinc/17/50/68/435175068.db2.gz VOTOADDVKLHCAY-IIYDPXPESA-N 1 0 303.406 3.037 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000532582155 435177888 /nfs/dbraw/zinc/17/78/88/435177888.db2.gz KOBUKJONWPENAK-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000532572245 435177923 /nfs/dbraw/zinc/17/79/23/435177923.db2.gz NQEDELXTXBOZFA-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000532572232 435179390 /nfs/dbraw/zinc/17/93/90/435179390.db2.gz NQEDELXTXBOZFA-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000580326356 435223028 /nfs/dbraw/zinc/22/30/28/435223028.db2.gz OXCCXNPWZZBVMO-MBNYWOFBSA-N 1 0 323.368 3.182 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1(C)C ZINC000561655469 435226921 /nfs/dbraw/zinc/22/69/21/435226921.db2.gz DMAPSRFYFCRCNZ-BTMUPSSKSA-N 1 0 304.390 3.257 20 5 DGBDRO CC[C@H](C)C[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584227237 435285868 /nfs/dbraw/zinc/28/58/68/435285868.db2.gz LBUGNABCOUOKQN-STQMWFEESA-N 1 0 307.394 3.338 20 5 DGBDRO CCC(=O)c1ccc(N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000567156409 435292467 /nfs/dbraw/zinc/29/24/67/435292467.db2.gz MPZNMUFCFRMMLS-GFCCVEGCSA-N 1 0 307.394 3.328 20 5 DGBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000478241023 435293409 /nfs/dbraw/zinc/29/34/09/435293409.db2.gz VKIJRKIIKQCUNZ-DOMZBBRYSA-N 1 0 310.369 3.417 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000588552334 435295585 /nfs/dbraw/zinc/29/55/85/435295585.db2.gz BDYMLPLKYZDHKU-VDNIUXDYSA-N 1 0 316.401 3.499 20 5 DGBDRO CC[C@@H](C(=O)OC(C)(C)C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511143344 435316002 /nfs/dbraw/zinc/31/60/02/435316002.db2.gz QLLZSDNLTFZMKB-AWEZNQCLSA-N 1 0 322.405 3.189 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccncc1Cl ZINC000567628980 435337181 /nfs/dbraw/zinc/33/71/81/435337181.db2.gz SXENXCXYKHQKQQ-LLVKDONJSA-N 1 0 321.764 3.373 20 5 DGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000481200461 435414243 /nfs/dbraw/zinc/41/42/43/435414243.db2.gz GRTWGBYRVFPFTE-KBPBESRZSA-N 1 0 319.405 3.400 20 5 DGBDRO CN1Cc2ccccc2[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000536021658 435368077 /nfs/dbraw/zinc/36/80/77/435368077.db2.gz DXLRTPKPKBKEPG-OAHLLOKOSA-N 1 0 319.311 3.472 20 5 DGBDRO CCCN(C/C=C/c1ccccc1[N+](=O)[O-])CC[NH+]1CCCC1 ZINC000568682278 435460911 /nfs/dbraw/zinc/46/09/11/435460911.db2.gz RQCLYQJPURQECE-VQHVLOKHSA-N 1 0 317.433 3.416 20 5 DGBDRO CC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000537687204 435464024 /nfs/dbraw/zinc/46/40/24/435464024.db2.gz DYGCNSIORZFBST-SNVBAGLBSA-N 1 0 300.305 3.428 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCc3c2cccc3F)cc1 ZINC000537967901 435478237 /nfs/dbraw/zinc/47/82/37/435478237.db2.gz GAYJKDXOEMGVNE-QGZVFWFLSA-N 1 0 316.332 3.390 20 5 DGBDRO C[C@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514616141 435424983 /nfs/dbraw/zinc/42/49/83/435424983.db2.gz KNQWYAYFQKKGAG-CABCVRRESA-N 1 0 305.422 3.366 20 5 DGBDRO CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000568450304 435437810 /nfs/dbraw/zinc/43/78/10/435437810.db2.gz SEPRMAWJBFZALI-GFCCVEGCSA-N 1 0 323.393 3.052 20 5 DGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000481686877 435439086 /nfs/dbraw/zinc/43/90/86/435439086.db2.gz PKHXGGJHTUEHTC-KRWDZBQOSA-N 1 0 322.405 3.361 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000483102040 435494536 /nfs/dbraw/zinc/49/45/36/435494536.db2.gz VWNCYACGRPWGNO-ZDUSSCGKSA-N 1 0 319.405 3.352 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000538408202 435497467 /nfs/dbraw/zinc/49/74/67/435497467.db2.gz CCJFUPZXVCETMB-DLBZAZTESA-N 1 0 318.417 3.465 20 5 DGBDRO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539075655 435538466 /nfs/dbraw/zinc/53/84/66/435538466.db2.gz DBXNCWDJPFUIBZ-AWEZNQCLSA-N 1 0 321.421 3.202 20 5 DGBDRO CC(C)[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488023260 435633361 /nfs/dbraw/zinc/63/33/61/435633361.db2.gz HTSLTUXOXHCEKW-OAHLLOKOSA-N 1 0 311.813 3.020 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC000540414102 435600304 /nfs/dbraw/zinc/60/03/04/435600304.db2.gz IRMWVTCQBIOLNR-UHFFFAOYSA-N 1 0 316.332 3.392 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000488727930 435643874 /nfs/dbraw/zinc/64/38/74/435643874.db2.gz DYJFLSXIJFPDEZ-OFQRWUPVSA-N 1 0 303.406 3.070 20 5 DGBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548160237 435675795 /nfs/dbraw/zinc/67/57/95/435675795.db2.gz TZJZSIFIPCEGJM-KGLIPLIRSA-N 1 0 319.405 3.482 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC000548156308 435673894 /nfs/dbraw/zinc/67/38/94/435673894.db2.gz CXFVCTNYJHNKPN-LLVKDONJSA-N 1 0 321.764 3.373 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCCO1 ZINC000550937739 435816471 /nfs/dbraw/zinc/81/64/71/435816471.db2.gz LQKSGUJMHBWCFG-WMLDXEAASA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[NH+](C)C ZINC000491599172 435776637 /nfs/dbraw/zinc/77/66/37/435776637.db2.gz ORQBEACXAUVLGA-CYBMUJFWSA-N 1 0 317.389 3.142 20 5 DGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000572888854 435878820 /nfs/dbraw/zinc/87/88/20/435878820.db2.gz MWIWLUPNYGAFKY-XQRVVYSFSA-N 1 0 304.390 3.091 20 5 DGBDRO CCC(CC)(CCO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572900018 435880277 /nfs/dbraw/zinc/88/02/77/435880277.db2.gz RZRPPOAJDRPYFY-HNNXBMFYSA-N 1 0 306.406 3.361 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCn1ccnc1 ZINC000531684135 313479858 /nfs/dbraw/zinc/47/98/58/313479858.db2.gz GAGKHOXLPBMNFQ-CQSZACIVSA-N 1 0 302.378 3.231 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000537028640 313794764 /nfs/dbraw/zinc/79/47/64/313794764.db2.gz IPXJYWCZBXPBDA-ZDUSSCGKSA-N 1 0 316.357 3.333 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)NC1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000539281134 313906203 /nfs/dbraw/zinc/90/62/03/313906203.db2.gz QVLFZPIHLVFZEF-CYBMUJFWSA-N 1 0 319.405 3.084 20 5 DGBDRO C[C@@H]1C[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000539970328 313940043 /nfs/dbraw/zinc/94/00/43/313940043.db2.gz RRXNROQYDVVALD-JKIFEVAISA-N 1 0 318.417 3.321 20 5 DGBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)C ZINC000543455369 314136162 /nfs/dbraw/zinc/13/61/62/314136162.db2.gz YIVLCBXCGSQRJG-OAHLLOKOSA-N 1 0 310.394 3.143 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnn2ccccc12 ZINC000552087690 314595773 /nfs/dbraw/zinc/59/57/73/314595773.db2.gz NZOHMOIGRJLYTN-AWEZNQCLSA-N 1 0 324.384 3.353 20 5 DGBDRO CC(C)[C@@H](CO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000554096011 314665686 /nfs/dbraw/zinc/66/56/86/314665686.db2.gz VQSKRXISYATFAV-MLGOLLRUSA-N 1 0 306.406 3.171 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000554117941 314666773 /nfs/dbraw/zinc/66/67/73/314666773.db2.gz LVUQBMGDGMFYSE-JJRVBVJISA-N 1 0 306.406 3.434 20 5 DGBDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000554726173 314697090 /nfs/dbraw/zinc/69/70/90/314697090.db2.gz GAXOGNVSLPLNCQ-LBPRGKRZSA-N 1 0 319.430 3.363 20 5 DGBDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562998171 315068736 /nfs/dbraw/zinc/06/87/36/315068736.db2.gz BCRTVFPICHNQFJ-HUUCEWRRSA-N 1 0 322.405 3.059 20 5 DGBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CC[NH2+]C1 ZINC000563130759 315081810 /nfs/dbraw/zinc/08/18/10/315081810.db2.gz UUYCDTLCGNWURF-LBPRGKRZSA-N 1 0 317.414 3.117 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000564326547 315169812 /nfs/dbraw/zinc/16/98/12/315169812.db2.gz JMASEQRFEIPSSS-RDJZCZTQSA-N 1 0 304.390 3.294 20 5 DGBDRO CC(C)[NH+](CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000565606989 315274221 /nfs/dbraw/zinc/27/42/21/315274221.db2.gz FJDCXACSHHGEPJ-MRXNPFEDSA-N 1 0 305.422 3.291 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)CCO2 ZINC000565848083 315292039 /nfs/dbraw/zinc/29/20/39/315292039.db2.gz OSLQIJCWZRURFN-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO CCc1nc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cs1 ZINC000568768510 315535402 /nfs/dbraw/zinc/53/54/02/315535402.db2.gz WCZDQWGACYCZPM-AWEZNQCLSA-N 1 0 317.414 3.433 20 5 DGBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCCC1 ZINC000569007441 315551854 /nfs/dbraw/zinc/55/18/54/315551854.db2.gz WSQRIMUZGHMKFH-HNNXBMFYSA-N 1 0 306.410 3.302 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CO1 ZINC000569724326 315600194 /nfs/dbraw/zinc/60/01/94/315600194.db2.gz XRXYIOMTFCFNBV-DGCLKSJQSA-N 1 0 302.330 3.122 20 5 DGBDRO C[C@H]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000577481687 316239892 /nfs/dbraw/zinc/23/98/92/316239892.db2.gz DGKICFHRHWENIZ-KBPBESRZSA-N 1 0 319.405 3.339 20 5 DGBDRO CCO[C@H]1C[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000577693150 316259785 /nfs/dbraw/zinc/25/97/85/316259785.db2.gz CFZDOJNEOZIZNK-ZBFHGGJFSA-N 1 0 302.330 3.122 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)C1CC1 ZINC000577733384 316265145 /nfs/dbraw/zinc/26/51/45/316265145.db2.gz KYLGUPKYXKWKPG-KGLIPLIRSA-N 1 0 324.446 3.074 20 5 DGBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181357204 323252485 /nfs/dbraw/zinc/25/24/85/323252485.db2.gz OLEISIIQTAGENZ-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCCO1 ZINC000182331119 323293349 /nfs/dbraw/zinc/29/33/49/323293349.db2.gz PDHSDWGZBLDUKS-NVXWUHKLSA-N 1 0 322.405 3.429 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCCO1 ZINC000182331087 323293366 /nfs/dbraw/zinc/29/33/66/323293366.db2.gz PDHSDWGZBLDUKS-WBVHZDCISA-N 1 0 322.405 3.429 20 5 DGBDRO Cc1cnn(-c2cc[nH+]cc2NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000182669011 323308546 /nfs/dbraw/zinc/30/85/46/323308546.db2.gz OIFOQUDWYRAMBY-UHFFFAOYSA-N 1 0 323.356 3.404 20 5 DGBDRO [NH3+]CCCN(Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000183221823 323329774 /nfs/dbraw/zinc/32/97/74/323329774.db2.gz OSTNBASOXGOOGZ-UHFFFAOYSA-N 1 0 303.337 3.089 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](CO)C1CCCCC1 ZINC000578882329 323795970 /nfs/dbraw/zinc/79/59/70/323795970.db2.gz KBCPVTANVXXOFY-PBHICJAKSA-N 1 0 318.417 3.361 20 5 DGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1O ZINC000582065804 324186055 /nfs/dbraw/zinc/18/60/55/324186055.db2.gz FTMBAHFLFQXEED-WBVHZDCISA-N 1 0 306.406 3.356 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOc1ccccc1F ZINC000582735026 324268703 /nfs/dbraw/zinc/26/87/03/324268703.db2.gz ASQINAPDEMOXSB-HNNXBMFYSA-N 1 0 316.332 3.390 20 5 DGBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000515302003 337985137 /nfs/dbraw/zinc/98/51/37/337985137.db2.gz GQINJPKJXZNUCF-CHWSQXEVSA-N 1 0 307.397 3.244 20 5 DGBDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444659904 533780718 /nfs/dbraw/zinc/78/07/18/533780718.db2.gz FJVUWXMWVJPVIJ-VXGBXAGGSA-N 1 0 302.378 3.339 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429290534 534349566 /nfs/dbraw/zinc/34/95/66/534349566.db2.gz DGYUOTZILWPUGT-GXTWGEPZSA-N 1 0 312.369 3.427 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1[N+](=O)[O-] ZINC000154414669 519835974 /nfs/dbraw/zinc/83/59/74/519835974.db2.gz PDCSEWZKXMMYDR-INIZCTEOSA-N 1 0 306.406 3.454 20 5 DGBDRO CC[C@@H]([NH2+]CCCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181133373 522827851 /nfs/dbraw/zinc/82/78/51/522827851.db2.gz LQXFXIFFQHXOAY-QGZVFWFLSA-N 1 0 322.405 3.221 20 5 DGBDRO O=[N+]([O-])c1c(NCC[NH+]2CCCCC2)ccc2ncccc21 ZINC000314823283 534878852 /nfs/dbraw/zinc/87/88/52/534878852.db2.gz RFOPMUHQBKGPLY-UHFFFAOYSA-N 1 0 300.362 3.041 20 5 DGBDRO CC(C)(C)[C@H](C[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415058131 526696545 /nfs/dbraw/zinc/69/65/45/526696545.db2.gz SOVJJMHMSOZMMO-INIZCTEOSA-N 1 0 317.389 3.318 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000449392624 536508074 /nfs/dbraw/zinc/50/80/74/536508074.db2.gz JWLAFQBARFOUBX-MRXNPFEDSA-N 1 0 318.348 3.081 20 5 DGBDRO CC(C)([NH2+]CCCO[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000429257814 527292858 /nfs/dbraw/zinc/29/28/58/527292858.db2.gz OWAQCHPFFLWUBM-INIZCTEOSA-N 1 0 322.405 3.353 20 5 DGBDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000294697245 527752087 /nfs/dbraw/zinc/75/20/87/527752087.db2.gz AOEUGQMXCCBYEB-CYBMUJFWSA-N 1 0 312.797 3.231 20 5 DGBDRO CC(C)OC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000173564975 527779565 /nfs/dbraw/zinc/77/95/65/527779565.db2.gz KZANWKKKXBEEMW-UHFFFAOYSA-N 1 0 308.378 3.147 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302622188 527821352 /nfs/dbraw/zinc/82/13/52/527821352.db2.gz ACJROPLWHZPKTD-LBPRGKRZSA-N 1 0 311.813 3.335 20 5 DGBDRO CC(C)c1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000188930305 528068091 /nfs/dbraw/zinc/06/80/91/528068091.db2.gz IZRZMWGOYYWWQS-UHFFFAOYSA-N 1 0 321.421 3.036 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415134942 528094712 /nfs/dbraw/zinc/09/47/12/528094712.db2.gz WNHBPHSGSVNJOW-ZFWWWQNUSA-N 1 0 305.422 3.135 20 5 DGBDRO CC(C)c1ccc(CN[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415064476 528102693 /nfs/dbraw/zinc/10/26/93/528102693.db2.gz KTAFHBJXPSPQIK-MRXNPFEDSA-N 1 0 305.422 3.325 20 5 DGBDRO CCC[NH+]1CCC(Nc2cccc(OCC)c2[N+](=O)[O-])CC1 ZINC000302087639 528206442 /nfs/dbraw/zinc/20/64/42/528206442.db2.gz OCQLCUSOQRPORD-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413077043 528261423 /nfs/dbraw/zinc/26/14/23/528261423.db2.gz URWAROJCZIHRQR-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CCOc1cc(N(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301527931 528308138 /nfs/dbraw/zinc/30/81/38/528308138.db2.gz OCIUWTVMRJIBHX-UHFFFAOYSA-N 1 0 321.421 3.303 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000296639354 528606725 /nfs/dbraw/zinc/60/67/25/528606725.db2.gz XYBGFDSPVJAXMF-STQMWFEESA-N 1 0 310.394 3.053 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000305736588 528606978 /nfs/dbraw/zinc/60/69/78/528606978.db2.gz SZYPWTFNHRLCKC-BLLLJJGKSA-N 1 0 310.394 3.051 20 5 DGBDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000434618839 528642023 /nfs/dbraw/zinc/64/20/23/528642023.db2.gz ZZHVVUULDADRCV-INIZCTEOSA-N 1 0 320.368 3.260 20 5 DGBDRO CCOc1cccc(NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000444869800 528672312 /nfs/dbraw/zinc/67/23/12/528672312.db2.gz HQCZREZBHMLNEQ-UHFFFAOYSA-N 1 0 319.405 3.280 20 5 DGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000293656580 528865169 /nfs/dbraw/zinc/86/51/69/528865169.db2.gz IFMKYWZUBHPHND-OCCSQVGLSA-N 1 0 321.421 3.106 20 5 DGBDRO CC1(C)CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444672475 528914006 /nfs/dbraw/zinc/91/40/06/528914006.db2.gz JZBQJNFKTYNRCK-UHFFFAOYSA-N 1 0 302.378 3.483 20 5 DGBDRO CC1(C)CCC[N@H+](CCNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000443945397 528938245 /nfs/dbraw/zinc/93/82/45/528938245.db2.gz JRTCRHAGYQVKMU-UHFFFAOYSA-N 1 0 312.801 3.177 20 5 DGBDRO CCC1(C)CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000441537352 529023005 /nfs/dbraw/zinc/02/30/05/529023005.db2.gz CIIQVRWONRTZJF-UHFFFAOYSA-N 1 0 322.405 3.494 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1OC ZINC000429292841 529109255 /nfs/dbraw/zinc/10/92/55/529109255.db2.gz YIFZUANCIHJLDO-HUUCEWRRSA-N 1 0 310.369 3.417 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000429772105 529322022 /nfs/dbraw/zinc/32/20/22/529322022.db2.gz IWSHMEOAZCQZJI-CZUORRHYSA-N 1 0 319.405 3.400 20 5 DGBDRO CC[C@@H]1CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292566286 529333093 /nfs/dbraw/zinc/33/30/93/529333093.db2.gz ZQNCDJAESREEOK-CYBMUJFWSA-N 1 0 301.346 3.277 20 5 DGBDRO CCC(CC)(CO)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468621815 534991691 /nfs/dbraw/zinc/99/16/91/534991691.db2.gz ZANNPJSVUJVOAE-ZROIWOOFSA-N 1 0 306.406 3.386 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1F)C1CCCCC1 ZINC000471249865 536132494 /nfs/dbraw/zinc/13/24/94/536132494.db2.gz AMFMHOMSZNOMTG-AWEZNQCLSA-N 1 0 324.400 3.239 20 5 DGBDRO C[NH+]1CCC(C)(CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450429355 536335545 /nfs/dbraw/zinc/33/55/45/536335545.db2.gz LHTOSQBJYPQWJF-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731209044 574545178 /nfs/dbraw/zinc/54/51/78/574545178.db2.gz IMZVWFLQARCJNW-JTQLQIEISA-N 1 0 308.407 3.347 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)sc2c1 ZINC000731206707 574545347 /nfs/dbraw/zinc/54/53/47/574545347.db2.gz POMVKBXTSJJCRY-AAEUAGOBSA-N 1 0 318.402 3.243 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCC[NH+]1CCCC1 ZINC000729296481 575233656 /nfs/dbraw/zinc/23/36/56/575233656.db2.gz XKQXDXHVVSBMMC-UHFFFAOYSA-N 1 0 305.378 3.108 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(NC3CC[NH+](C4CC4)CC3)sc2c1 ZINC000729630372 575257862 /nfs/dbraw/zinc/25/78/62/575257862.db2.gz HQEVHJPEKUUZHM-UHFFFAOYSA-N 1 0 318.402 3.243 20 5 DGBDRO CC[C@H](C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000744361477 575338507 /nfs/dbraw/zinc/33/85/07/575338507.db2.gz MCBBWRWECNRQJQ-IUODEOHRSA-N 1 0 308.378 3.319 20 5 DGBDRO CC(C)C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000744436933 575342317 /nfs/dbraw/zinc/34/23/17/575342317.db2.gz BXUPEBZPHOJHBS-ZDUSSCGKSA-N 1 0 302.378 3.270 20 5 DGBDRO C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000746985947 575488403 /nfs/dbraw/zinc/48/84/03/575488403.db2.gz TZXOQAVMAIJJRM-GRYCIOLGSA-N 1 0 324.352 3.038 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3c2cccc3F)cc1 ZINC000747815917 575543115 /nfs/dbraw/zinc/54/31/15/575543115.db2.gz YRXNKOCQENHLCN-IRXDYDNUSA-N 1 0 316.332 3.044 20 5 DGBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000748247242 575575044 /nfs/dbraw/zinc/57/50/44/575575044.db2.gz SCIZBOPXYIRZNK-CQSZACIVSA-N 1 0 314.769 3.070 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000748261646 575576303 /nfs/dbraw/zinc/57/63/03/575576303.db2.gz IFMQYBXCXGUXJD-ZDUSSCGKSA-N 1 0 317.393 3.179 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000749687195 575672412 /nfs/dbraw/zinc/67/24/12/575672412.db2.gz IDKGHVVEZWRJPU-IAGOWNOFSA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000750252420 575714593 /nfs/dbraw/zinc/71/45/93/575714593.db2.gz KGRJHUDSAZXKKK-VXGBXAGGSA-N 1 0 310.781 3.107 20 5 DGBDRO Cc1nn(C[N@@H+]2CC[C@H](c3ccccc3C)C2)c(C)c1[N+](=O)[O-] ZINC000725777816 575911652 /nfs/dbraw/zinc/91/16/52/575911652.db2.gz HCQXMMMPYBBSQD-HNNXBMFYSA-N 1 0 314.389 3.164 20 5 DGBDRO CCC[NH+](CCC)CCCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000728051443 576160322 /nfs/dbraw/zinc/16/03/22/576160322.db2.gz YJKVILPILLETSE-UHFFFAOYSA-N 1 0 319.409 3.167 20 5 DGBDRO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154383392 620666840 /nfs/dbraw/zinc/66/68/40/620666840.db2.gz SOIMZBJMLPFLBQ-IMJJTQAJSA-N 1 0 324.446 3.234 20 5 DGBDRO C[C@@H]1CCCCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853499760 620702464 /nfs/dbraw/zinc/70/24/64/620702464.db2.gz UGAKBWONWLSXNL-CYBMUJFWSA-N 1 0 315.377 3.075 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@@H]1COc1ccc([N+](=O)[O-])cc1C=O ZINC000853643630 620719150 /nfs/dbraw/zinc/71/91/50/620719150.db2.gz KXALPLDBCHXEIO-OAHLLOKOSA-N 1 0 306.362 3.049 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000853764316 620735589 /nfs/dbraw/zinc/73/55/89/620735589.db2.gz SWGXKKHYJCAPKN-JTQLQIEISA-N 1 0 320.418 3.489 20 5 DGBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000804813103 617674950 /nfs/dbraw/zinc/67/49/50/617674950.db2.gz WQQPFXRWVFAFQC-UHFFFAOYSA-N 1 0 315.348 3.055 20 5 DGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000804852707 617742722 /nfs/dbraw/zinc/74/27/22/617742722.db2.gz MKVODCSBJAUKNW-BXUZGUMPSA-N 1 0 309.797 3.311 20 5 DGBDRO COc1c(O)ccc(C[N@H+]([C@H](C)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000891669170 617863543 /nfs/dbraw/zinc/86/35/43/617863543.db2.gz WISJKAUQVJEGMY-SNVBAGLBSA-N 1 0 306.362 3.072 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000840870914 618043966 /nfs/dbraw/zinc/04/39/66/618043966.db2.gz AVPGKBZKNQRQFU-BDAKNGLRSA-N 1 0 305.300 3.416 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000892433132 618065324 /nfs/dbraw/zinc/06/53/24/618065324.db2.gz SCAMKZCQJAPXFE-LLVKDONJSA-N 1 0 302.330 3.160 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC1CC[NH+](CC2CC2)CC1 ZINC000892622353 618120752 /nfs/dbraw/zinc/12/07/52/618120752.db2.gz JFHFMTCLWBTEDD-UHFFFAOYSA-N 1 0 323.824 3.212 20 5 DGBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000894481650 618346014 /nfs/dbraw/zinc/34/60/14/618346014.db2.gz YTTHGNRMBXBOIU-QAVQXKDTSA-N 1 0 318.295 3.030 20 5 DGBDRO CC1(C)COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000894580199 618393184 /nfs/dbraw/zinc/39/31/84/618393184.db2.gz QRKNOSUJIDJEAV-LBPRGKRZSA-N 1 0 318.295 3.128 20 5 DGBDRO CCc1ccccc1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893036061 618399917 /nfs/dbraw/zinc/39/99/17/618399917.db2.gz FDRZIYLBFYDVPM-UHFFFAOYSA-N 1 0 316.357 3.161 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1C[C@]1(C)Br)c1ccc([N+](=O)[O-])cc1 ZINC000894657767 618414494 /nfs/dbraw/zinc/41/44/94/618414494.db2.gz OQQQDSKWIRHCOQ-GAFUQQFSSA-N 1 0 313.195 3.419 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(CCO)CCCC1 ZINC000893086850 618419294 /nfs/dbraw/zinc/41/92/94/618419294.db2.gz SORYDJCSMNUICJ-UHFFFAOYSA-N 1 0 312.797 3.281 20 5 DGBDRO Cc1cnccc1CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893214068 618478003 /nfs/dbraw/zinc/47/80/03/618478003.db2.gz NWARDCUQZULFLY-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO Cc1ncoc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000894906224 618496804 /nfs/dbraw/zinc/49/68/04/618496804.db2.gz ZZQMZWHPORMFRS-AWEZNQCLSA-N 1 0 301.346 3.271 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000894915143 618498631 /nfs/dbraw/zinc/49/86/31/618498631.db2.gz JCHSBHRBDLBXMF-OCCSQVGLSA-N 1 0 300.786 3.133 20 5 DGBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000777008270 618532737 /nfs/dbraw/zinc/53/27/37/618532737.db2.gz FSWXSYYGEIOXAE-SKDRFNHKSA-N 1 0 306.284 3.131 20 5 DGBDRO CC1=NO[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000895303363 618592450 /nfs/dbraw/zinc/59/24/50/618592450.db2.gz GCSXWDJDUHTMHX-BPUTZDHNSA-N 1 0 317.389 3.060 20 5 DGBDRO CC1=NO[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000895311760 618592794 /nfs/dbraw/zinc/59/27/94/618592794.db2.gz QXSGWSQCZSHVMP-ZDUSSCGKSA-N 1 0 315.329 3.109 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1Cl ZINC000895677338 618815194 /nfs/dbraw/zinc/81/51/94/618815194.db2.gz LUPQGOVBFOAFQC-LBPRGKRZSA-N 1 0 310.781 3.440 20 5 DGBDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000895783853 618830635 /nfs/dbraw/zinc/83/06/35/618830635.db2.gz CUMIBCCTYGKUDG-URBCHYCLSA-N 1 0 301.346 3.118 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895843287 618837765 /nfs/dbraw/zinc/83/77/65/618837765.db2.gz ATIXFEQVTUIWQK-FHYOKYKPSA-N 1 0 316.401 3.499 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000896511634 618919476 /nfs/dbraw/zinc/91/94/76/618919476.db2.gz IKSFEEKSQYXUKY-KAOXEZKKSA-N 1 0 310.419 3.154 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)c1ccc([N+](=O)[O-])cc1 ZINC000896510412 618919573 /nfs/dbraw/zinc/91/95/73/618919573.db2.gz OQQQDSKWIRHCOQ-SUZMYJTESA-N 1 0 313.195 3.419 20 5 DGBDRO C[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000896951788 618992987 /nfs/dbraw/zinc/99/29/87/618992987.db2.gz LUGPNBMLTJQNLK-VHSXEESVSA-N 1 0 307.375 3.110 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC(O)(C3CCC3)CC2)cc1Cl ZINC000897036806 619005068 /nfs/dbraw/zinc/00/50/68/619005068.db2.gz MMBYNORJTULBQJ-UHFFFAOYSA-N 1 0 324.808 3.375 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000925151505 619053106 /nfs/dbraw/zinc/05/31/06/619053106.db2.gz CAMQZWXIJPWHKV-CQSZACIVSA-N 1 0 317.776 3.463 20 5 DGBDRO Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925153432 619054670 /nfs/dbraw/zinc/05/46/70/619054670.db2.gz LJMGQHXNEBBNKD-ZDUSSCGKSA-N 1 0 301.346 3.101 20 5 DGBDRO C[C@@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC000897460190 619130258 /nfs/dbraw/zinc/13/02/58/619130258.db2.gz QZIYDQRYECMMOK-YRFCHQJDSA-N 1 0 304.390 3.246 20 5 DGBDRO C[C@H](C[NH2+]Cc1cnc(C2CC2)o1)c1ccccc1[N+](=O)[O-] ZINC000897461738 619130546 /nfs/dbraw/zinc/13/05/46/619130546.db2.gz WTLJLQDHWGIVDL-LLVKDONJSA-N 1 0 301.346 3.354 20 5 DGBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H](C)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000897465474 619130587 /nfs/dbraw/zinc/13/05/87/619130587.db2.gz WVUHCNSYKRFXEB-ARKGTOAJSA-N 1 0 318.417 3.492 20 5 DGBDRO Cc1ccc2ncc(C[NH2+]C[C@H](C)c3ccccc3[N+](=O)[O-])n2c1 ZINC000897465993 619130643 /nfs/dbraw/zinc/13/06/43/619130643.db2.gz MCICKYORVFAAGO-AWEZNQCLSA-N 1 0 324.384 3.444 20 5 DGBDRO C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000897469132 619131557 /nfs/dbraw/zinc/13/15/57/619131557.db2.gz DRFAFHGBUBIVCC-JTQLQIEISA-N 1 0 321.358 3.458 20 5 DGBDRO CC(C)n1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000897469725 619131858 /nfs/dbraw/zinc/13/18/58/619131858.db2.gz PIJKDFPVGWIIEB-ZDUSSCGKSA-N 1 0 302.378 3.266 20 5 DGBDRO C[C@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000897469918 619131872 /nfs/dbraw/zinc/13/18/72/619131872.db2.gz TYPVYQPRXRHHRG-CYBMUJFWSA-N 1 0 316.405 3.440 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000897504739 619140293 /nfs/dbraw/zinc/14/02/93/619140293.db2.gz YXEFBMVRBMQYGW-ISTRZQFTSA-N 1 0 302.374 3.129 20 5 DGBDRO Cc1ccc(-c2noc([C@H]3CCC[N@H+]3C(C)C)n2)cc1[N+](=O)[O-] ZINC000923821701 619149561 /nfs/dbraw/zinc/14/95/61/619149561.db2.gz RBKAJYMIRIKNIX-CYBMUJFWSA-N 1 0 316.361 3.499 20 5 DGBDRO C[C@H]1CC2(CC([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)CO1 ZINC000897778105 619180973 /nfs/dbraw/zinc/18/09/73/619180973.db2.gz DZEDZXQCBFVRFK-VLRKGOCCSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897780827 619182169 /nfs/dbraw/zinc/18/21/69/619182169.db2.gz ZQNLCVFWUKGDSY-YULBZUTISA-N 1 0 318.417 3.463 20 5 DGBDRO C[C@H]1CC2(CC([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])C2)CO1 ZINC000897781290 619182199 /nfs/dbraw/zinc/18/21/99/619182199.db2.gz UNKDBUYVLAZTGK-YFLVCZHTSA-N 1 0 302.374 3.155 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CCO)C1CCCC1 ZINC000897885025 619191482 /nfs/dbraw/zinc/19/14/82/619191482.db2.gz CHPGOKRTYOTTJM-RDTXFTJFSA-N 1 0 304.390 3.139 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897978280 619202614 /nfs/dbraw/zinc/20/26/14/619202614.db2.gz NGAANSOYTOLPDT-UHFFFAOYSA-N 1 0 317.433 3.318 20 5 DGBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCCCCC1 ZINC000841043826 619245832 /nfs/dbraw/zinc/24/58/32/619245832.db2.gz VOBJOEWZEFPROF-UHFFFAOYSA-N 1 0 311.813 3.390 20 5 DGBDRO C[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000900653754 619442811 /nfs/dbraw/zinc/44/28/11/619442811.db2.gz MFTYJKJJMSWSAC-HIFRSBDPSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@@H]([NH2+]CCOC1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000901705337 619532197 /nfs/dbraw/zinc/53/21/97/619532197.db2.gz BHWOXQCGWMPYIG-GFCCVEGCSA-N 1 0 310.419 3.158 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc2)c1 ZINC000902471243 619642718 /nfs/dbraw/zinc/64/27/18/619642718.db2.gz KYKNKMSPXSFBAP-AITUJVMLSA-N 1 0 323.396 3.167 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2C1 ZINC000902853238 619682998 /nfs/dbraw/zinc/68/29/98/619682998.db2.gz KVENTGIOBIWTEV-CJNGLKHVSA-N 1 0 312.369 3.324 20 5 DGBDRO CCC[NH+]1CCC(N[C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903057517 619707506 /nfs/dbraw/zinc/70/75/06/619707506.db2.gz CULMETLNAMOJRM-CYBMUJFWSA-N 1 0 321.421 3.128 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)Cc2ccco2)cc([N+](=O)[O-])c1 ZINC000903061334 619708188 /nfs/dbraw/zinc/70/81/88/619708188.db2.gz DLLCLMCIVLEGAO-NEPJUHHUSA-N 1 0 304.346 3.478 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2nc(C)cs2)cc([N+](=O)[O-])c1 ZINC000903065964 619709606 /nfs/dbraw/zinc/70/96/06/619709606.db2.gz JLJHGWUWZVGLIO-NSHDSACASA-N 1 0 321.402 3.262 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903097611 619719892 /nfs/dbraw/zinc/71/98/92/619719892.db2.gz GZBSSPHFMFDTPS-FZMZJTMJSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC2CCSCC2)cc([N+](=O)[O-])c1 ZINC000903097365 619720051 /nfs/dbraw/zinc/72/00/51/619720051.db2.gz RNAWFFAMBKCWNL-LLVKDONJSA-N 1 0 310.419 3.397 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903127997 619722578 /nfs/dbraw/zinc/72/25/78/619722578.db2.gz PRHPWEYSBQDCNE-WCQYABFASA-N 1 0 308.378 3.212 20 5 DGBDRO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000903158200 619727044 /nfs/dbraw/zinc/72/70/44/619727044.db2.gz FTIIKQGKDGNLIT-STQMWFEESA-N 1 0 318.295 3.271 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903148029 619728908 /nfs/dbraw/zinc/72/89/08/619728908.db2.gz PDAATQYLPAEPCT-MELADBBJSA-N 1 0 322.405 3.459 20 5 DGBDRO COCCC(C)(C)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903151545 619729534 /nfs/dbraw/zinc/72/95/34/619729534.db2.gz HKRIQOFEZYDNKU-LBPRGKRZSA-N 1 0 310.394 3.317 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC2CC(F)(F)C2)cc([N+](=O)[O-])c1 ZINC000903174266 619729867 /nfs/dbraw/zinc/72/98/67/619729867.db2.gz HXRRDXVCRQMERV-SECBINFHSA-N 1 0 300.305 3.299 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@](C)(OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903175138 619730264 /nfs/dbraw/zinc/73/02/64/619730264.db2.gz QFDAEYSFMKZLMK-BZNIZROVSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+]Cc2cnc(C)cc2C)cc([N+](=O)[O-])c1 ZINC000903185257 619732493 /nfs/dbraw/zinc/73/24/93/619732493.db2.gz CGSHZSYLPAXSCV-ZDUSSCGKSA-N 1 0 315.373 3.466 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903193947 619733543 /nfs/dbraw/zinc/73/35/43/619733543.db2.gz IHVLQFGRCKOYQN-OBJOEFQTSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@H](C)O2)cc([N+](=O)[O-])c1 ZINC000903200454 619735336 /nfs/dbraw/zinc/73/53/36/619735336.db2.gz PLABLHCLRSPIRX-SLEUVZQESA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)cc([N+](=O)[O-])c1 ZINC000903200231 619735610 /nfs/dbraw/zinc/73/56/10/619735610.db2.gz MUAXHXPAHCQJJR-TVQRCGJNSA-N 1 0 300.305 3.299 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC2SCCS2)cc([N+](=O)[O-])c1 ZINC000903203631 619736245 /nfs/dbraw/zinc/73/62/45/619736245.db2.gz MFRWYDVOKXKMGY-VIFPVBQESA-N 1 0 314.432 3.060 20 5 DGBDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CCO1 ZINC000903189593 619737071 /nfs/dbraw/zinc/73/70/71/619737071.db2.gz DEWVZZYCPGZEBR-NJZAAPMLSA-N 1 0 308.378 3.212 20 5 DGBDRO CC(C)[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000903246366 619742517 /nfs/dbraw/zinc/74/25/17/619742517.db2.gz TYUOAILPTFFTEK-GUYCJALGSA-N 1 0 316.405 3.419 20 5 DGBDRO CC(C)[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244944 619743636 /nfs/dbraw/zinc/74/36/36/619743636.db2.gz GUQOPJKDQZQRLE-FVQBIDKESA-N 1 0 306.406 3.349 20 5 DGBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244936 619743687 /nfs/dbraw/zinc/74/36/87/619743687.db2.gz GQZDSEWTOQFIEY-DZKIICNBSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCCn2nccc21)c1ccccc1[N+](=O)[O-] ZINC000903244962 619743717 /nfs/dbraw/zinc/74/37/17/619743717.db2.gz HBVABZNWFLMOAA-JSGCOSHPSA-N 1 0 300.362 3.020 20 5 DGBDRO CCCn1cc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000903245869 619743985 /nfs/dbraw/zinc/74/39/85/619743985.db2.gz PLQOCPWCLAMMKJ-QWHCGFSZSA-N 1 0 317.393 3.051 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CC2(C3(O)CCC3)CC2)cccc1[N+](=O)[O-] ZINC000903260447 619746891 /nfs/dbraw/zinc/74/68/91/619746891.db2.gz VCEPUYDLGDDJCE-CYBMUJFWSA-N 1 0 304.390 3.249 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C2CC3(C2)CO[C@@H](C)C3)cc([N+](=O)[O-])c1 ZINC000903278896 619751430 /nfs/dbraw/zinc/75/14/30/619751430.db2.gz IEHOQXWMDBLZIE-LBMLQDQDSA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CCO)C1CCCC1 ZINC000903296178 619752708 /nfs/dbraw/zinc/75/27/08/619752708.db2.gz HHXSBLFITLVHOT-WBMJQRKESA-N 1 0 322.405 3.195 20 5 DGBDRO C[C@@H]([NH2+][C@H](CCO)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903298820 619753017 /nfs/dbraw/zinc/75/30/17/619753017.db2.gz XWCGVSSYRVCFQJ-BXUZGUMPSA-N 1 0 310.369 3.326 20 5 DGBDRO C[C@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903311956 619757590 /nfs/dbraw/zinc/75/75/90/619757590.db2.gz XCHJTCDJKKGQAO-SJCJKPOMSA-N 1 0 318.348 3.292 20 5 DGBDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCSC1 ZINC000903311465 619757704 /nfs/dbraw/zinc/75/77/04/619757704.db2.gz UOIPARDSRKWTLR-IUODEOHRSA-N 1 0 310.419 3.076 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@]2(OC(C)C)CCOC2)cccc1[N+](=O)[O-] ZINC000903360356 619765220 /nfs/dbraw/zinc/76/52/20/619765220.db2.gz JNUJEHUIRWVMAJ-PBHICJAKSA-N 1 0 322.405 3.138 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CC[C@H](O)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000903407505 619771606 /nfs/dbraw/zinc/77/16/06/619771606.db2.gz OUQARXYGBWFXGE-HOTGVXAUSA-N 1 0 304.390 3.068 20 5 DGBDRO C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903427506 619774508 /nfs/dbraw/zinc/77/45/08/619774508.db2.gz GZWXYUCHRZDYPL-PIGZYNQJSA-N 1 0 312.373 3.374 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCOC2CCSCC2)cccc1[N+](=O)[O-] ZINC000903443374 619777216 /nfs/dbraw/zinc/77/72/16/619777216.db2.gz GWUNWEWESAZDQP-CYBMUJFWSA-N 1 0 324.446 3.466 20 5 DGBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000905027248 619967332 /nfs/dbraw/zinc/96/73/32/619967332.db2.gz WDFFGMHKPBGIBU-XYJCDUHRSA-N 1 0 308.381 3.150 20 5 DGBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000905027243 619967354 /nfs/dbraw/zinc/96/73/54/619967354.db2.gz WDFFGMHKPBGIBU-MDAWKPQNSA-N 1 0 308.381 3.150 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H]2CCCC2(F)F)c1 ZINC000905416611 619996028 /nfs/dbraw/zinc/99/60/28/619996028.db2.gz ARCVRQKSQGGVLC-GXTWGEPZSA-N 1 0 314.332 3.043 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H]2CCC(F)(F)C2)cc1 ZINC000905674863 620017721 /nfs/dbraw/zinc/01/77/21/620017721.db2.gz JWVCYJVVKDGKOF-SMDDNHRTSA-N 1 0 314.332 3.043 20 5 DGBDRO Cc1c(C[NH2+][C@H](CCO)c2cccs2)cccc1[N+](=O)[O-] ZINC000754391622 620554451 /nfs/dbraw/zinc/55/44/51/620554451.db2.gz ZRKJSHZIPGSFHR-CYBMUJFWSA-N 1 0 306.387 3.178 20 5 DGBDRO C[C@H](CSC(C)(C)C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000772974846 620937041 /nfs/dbraw/zinc/93/70/41/620937041.db2.gz ABAAOAMCVULNPR-GFCCVEGCSA-N 1 0 312.435 3.483 20 5 DGBDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000922538365 621052129 /nfs/dbraw/zinc/05/21/29/621052129.db2.gz QNIDEPIKUKBNQF-CYBMUJFWSA-N 1 0 314.389 3.297 20 5 DGBDRO Cc1cc(CO)cc(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000922562301 621056750 /nfs/dbraw/zinc/05/67/50/621056750.db2.gz KZPLEYLDDPSMQK-UHFFFAOYSA-N 1 0 314.385 3.302 20 5 DGBDRO CC(C)[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000922892319 621119997 /nfs/dbraw/zinc/11/99/97/621119997.db2.gz AESYBHRBMLKKGY-DBWMJRBXSA-N 1 0 314.389 3.328 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2OCCc3ccccc32)cs1 ZINC000922960816 621139780 /nfs/dbraw/zinc/13/97/80/621139780.db2.gz ARRXKTBVQFSJCO-HNNXBMFYSA-N 1 0 318.398 3.450 20 5 DGBDRO Cc1c(C[NH2+]CC[C@H]2CCC3(CCC3)O2)cccc1[N+](=O)[O-] ZINC000922968807 621141396 /nfs/dbraw/zinc/14/13/96/621141396.db2.gz SCVSMSUFLDPUHW-OAHLLOKOSA-N 1 0 304.390 3.485 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2O)cc1[N+](=O)[O-] ZINC000922988151 621144536 /nfs/dbraw/zinc/14/45/36/621144536.db2.gz LLSXCUDNZHOCAG-MSOLQXFVSA-N 1 0 312.369 3.041 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000858437207 621190926 /nfs/dbraw/zinc/19/09/26/621190926.db2.gz WROCRLBXNQTYMS-ZIAGYGMSSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1cccc(CN(Cc2ccnc(F)c2)C2CC2)c1 ZINC000859166563 621256511 /nfs/dbraw/zinc/25/65/11/621256511.db2.gz FAQMUZBKRVHYDO-UHFFFAOYSA-N 1 0 301.321 3.294 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000839181175 621344131 /nfs/dbraw/zinc/34/41/31/621344131.db2.gz HCYBBCGPWZURFV-KBPBESRZSA-N 1 0 310.781 3.295 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000839181180 621344149 /nfs/dbraw/zinc/34/41/49/621344149.db2.gz HCYBBCGPWZURFV-UONOGXRCSA-N 1 0 310.781 3.295 20 5 DGBDRO C/C=C\C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860183109 621378594 /nfs/dbraw/zinc/37/85/94/621378594.db2.gz GHIRGEAQJGUFEA-MKXCZPOJSA-N 1 0 304.390 3.306 20 5 DGBDRO C[C@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C[N@@H+]1C1CC1 ZINC000754024414 621480406 /nfs/dbraw/zinc/48/04/06/621480406.db2.gz KPAARNOSZPUOPY-VHSXEESVSA-N 1 0 318.402 3.242 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000754678413 621524032 /nfs/dbraw/zinc/52/40/32/621524032.db2.gz DIOIAKPPVHKCBO-FZMZJTMJSA-N 1 0 306.387 3.349 20 5 DGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1csc2ccccc12 ZINC000754730935 621529010 /nfs/dbraw/zinc/52/90/10/621529010.db2.gz JXBGEFAFHSYMHZ-NSHDSACASA-N 1 0 316.386 3.357 20 5 DGBDRO Cc1nn(C[N@@H+]2CCS[C@H](C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000754872592 621538601 /nfs/dbraw/zinc/53/86/01/621538601.db2.gz NHEBABVELWYCAG-LLVKDONJSA-N 1 0 320.418 3.038 20 5 DGBDRO CC1(C)CCC[C@H]1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863560398 621683666 /nfs/dbraw/zinc/68/36/66/621683666.db2.gz HKTYOUBDJWNGPI-GOEBONIOSA-N 1 0 306.406 3.434 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC23CCCCC3)c1 ZINC000759394226 621852922 /nfs/dbraw/zinc/85/29/22/621852922.db2.gz BBRYGMQXDQXGQO-MRXNPFEDSA-N 1 0 304.390 3.427 20 5 DGBDRO CCC1(CC)[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000759616020 621875887 /nfs/dbraw/zinc/87/58/87/621875887.db2.gz SUTMFWNLPKRXRL-GJZGRUSLSA-N 1 0 310.369 3.417 20 5 DGBDRO CS[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000865734448 621986096 /nfs/dbraw/zinc/98/60/96/621986096.db2.gz YUFWIAIARKGHQL-HOMQSWHASA-N 1 0 318.345 3.180 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c(F)c1 ZINC000865760950 621990083 /nfs/dbraw/zinc/99/00/83/621990083.db2.gz AEOMDWPXPRXCFW-CZUORRHYSA-N 1 0 308.353 3.029 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC23CCOCC3)c(F)c1 ZINC000865778471 621993660 /nfs/dbraw/zinc/99/36/60/621993660.db2.gz VAZIDOZMLNBDSX-CYBMUJFWSA-N 1 0 308.353 3.030 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000761217566 621995131 /nfs/dbraw/zinc/99/51/31/621995131.db2.gz WGBHVPHXCIWQST-HNNXBMFYSA-N 1 0 311.813 3.020 20 5 DGBDRO CC[C@H]1C[N@H+](C)CCCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000865925634 622021435 /nfs/dbraw/zinc/02/14/35/622021435.db2.gz KKVKBZDIODOEPO-NSHDSACASA-N 1 0 320.418 3.125 20 5 DGBDRO Cc1nc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000866240052 622073930 /nfs/dbraw/zinc/07/39/30/622073930.db2.gz WLARMHCFZVMMPR-SECBINFHSA-N 1 0 309.366 3.220 20 5 DGBDRO Cc1noc(C)c1CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866263452 622079302 /nfs/dbraw/zinc/07/93/02/622079302.db2.gz QBPPBYBRMDLJFG-JTQLQIEISA-N 1 0 321.352 3.102 20 5 DGBDRO Cc1cnc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866274375 622082490 /nfs/dbraw/zinc/08/24/90/622082490.db2.gz JVEVOEQLROBHOR-VIFPVBQESA-N 1 0 309.366 3.220 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000866289779 622086027 /nfs/dbraw/zinc/08/60/27/622086027.db2.gz LHGLPULOPBTIGI-ISTRZQFTSA-N 1 0 324.396 3.458 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000762619910 622086941 /nfs/dbraw/zinc/08/69/41/622086941.db2.gz XTAFYFPMWPCTCD-MGPQQGTHSA-N 1 0 310.444 3.064 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCOC(C)(C)C1 ZINC000866311712 622091217 /nfs/dbraw/zinc/09/12/17/622091217.db2.gz VHKJIHZIGQWCDG-RISCZKNCSA-N 1 0 310.369 3.212 20 5 DGBDRO CC[C@@H](CSC)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866313570 622091650 /nfs/dbraw/zinc/09/16/50/622091650.db2.gz CYCVVFGSNONTLM-MFKMUULPSA-N 1 0 300.399 3.396 20 5 DGBDRO CC(C)OCCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866337256 622096790 /nfs/dbraw/zinc/09/67/90/622096790.db2.gz WCIWUVUHFLTCEN-ZDUSSCGKSA-N 1 0 312.385 3.460 20 5 DGBDRO COCC1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866353842 622101236 /nfs/dbraw/zinc/10/12/36/622101236.db2.gz VJHJPCWQRDNLMH-GFCCVEGCSA-N 1 0 310.369 3.071 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000866397632 622110937 /nfs/dbraw/zinc/11/09/37/622110937.db2.gz JIEBOFSVKBWYPN-VZTWBHMWSA-N 1 0 310.369 3.066 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)c1ccns1 ZINC000866399815 622111532 /nfs/dbraw/zinc/11/15/32/622111532.db2.gz WABQBRBFWBNWDO-NXEZZACHSA-N 1 0 309.366 3.472 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCC[C@@H]2F)n1 ZINC000866450429 622120914 /nfs/dbraw/zinc/12/09/14/622120914.db2.gz UBPIDGALQUXIJG-REWJHTLYSA-N 1 0 310.373 3.145 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccnc(F)c2)cc1[N+](=O)[O-] ZINC000866472887 622123728 /nfs/dbraw/zinc/12/37/28/622123728.db2.gz GBRLBMABSJKDLD-NSHDSACASA-N 1 0 319.336 3.378 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@@H]2CCCS2)n1 ZINC000866480511 622124921 /nfs/dbraw/zinc/12/49/21/622124921.db2.gz IPZJWLAOPKLPKU-MELADBBJSA-N 1 0 324.450 3.150 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866491353 622126794 /nfs/dbraw/zinc/12/67/94/622126794.db2.gz RIDMUHBNZIODKY-YMRXKLBXSA-N 1 0 319.405 3.175 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866532244 622133543 /nfs/dbraw/zinc/13/35/43/622133543.db2.gz VOEMHIFYHHDGQW-JSGCOSHPSA-N 1 0 319.405 3.034 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000866540367 622135183 /nfs/dbraw/zinc/13/51/83/622135183.db2.gz MVSVSMWJMSEYLW-CYBMUJFWSA-N 1 0 315.373 3.028 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000866541086 622135516 /nfs/dbraw/zinc/13/55/16/622135516.db2.gz VYLBQLSQRBFJAN-ZDUSSCGKSA-N 1 0 300.358 3.246 20 5 DGBDRO CN1Cc2ccccc2[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000866563934 622139525 /nfs/dbraw/zinc/13/95/25/622139525.db2.gz QFPHAWFZNZUGFR-PKOBYXMFSA-N 1 0 323.396 3.358 20 5 DGBDRO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866622925 622148785 /nfs/dbraw/zinc/14/87/85/622148785.db2.gz JSXPAHIXWJCIIK-LRDDRELGSA-N 1 0 319.405 3.319 20 5 DGBDRO Cc1nn(C[NH+](CC2CC2)CC2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121196734 622158120 /nfs/dbraw/zinc/15/81/20/622158120.db2.gz HSINRNZTVVIESL-UHFFFAOYSA-N 1 0 314.389 3.332 20 5 DGBDRO CC(C)CCC[C@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942836 622195364 /nfs/dbraw/zinc/19/53/64/622195364.db2.gz GZGRTLLUFZKYTE-SUMWQHHRSA-N 1 0 321.421 3.100 20 5 DGBDRO CC(C)CCC[C@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942835 622195454 /nfs/dbraw/zinc/19/54/54/622195454.db2.gz GZGRTLLUFZKYTE-GUYCJALGSA-N 1 0 321.421 3.100 20 5 DGBDRO Cc1nn(C[N@@H+](C)C(C2CC2)C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764952830 622235649 /nfs/dbraw/zinc/23/56/49/622235649.db2.gz AVFSNIYKGYQOMY-UHFFFAOYSA-N 1 0 314.389 3.331 20 5 DGBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765845128 622290795 /nfs/dbraw/zinc/29/07/95/622290795.db2.gz MVFWKROLHNRKKG-DEYYWGMASA-N 1 0 314.385 3.410 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000766248911 622314870 /nfs/dbraw/zinc/31/48/70/622314870.db2.gz JGTHFGNDGBEZHM-NWDGAFQWSA-N 1 0 311.813 3.163 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766253196 622315235 /nfs/dbraw/zinc/31/52/35/622315235.db2.gz JRWHNLRSKJTUES-NWDGAFQWSA-N 1 0 311.813 3.163 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000766255808 622315684 /nfs/dbraw/zinc/31/56/84/622315684.db2.gz XSVMRWSGZGPXAH-NEPJUHHUSA-N 1 0 311.813 3.163 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000766376338 622325216 /nfs/dbraw/zinc/32/52/16/622325216.db2.gz ZMOAVYCHUGYWKX-NEPJUHHUSA-N 1 0 302.378 3.188 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000767717732 622418504 /nfs/dbraw/zinc/41/85/04/622418504.db2.gz MTOLGHGDKIMTKW-HNNXBMFYSA-N 1 0 324.739 3.211 20 5 DGBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000771229137 622729685 /nfs/dbraw/zinc/72/96/85/622729685.db2.gz HILQKVLCRJVXAE-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017616 622753432 /nfs/dbraw/zinc/75/34/32/622753432.db2.gz CZFAZDLOWIFECH-SMDDNHRTSA-N 1 0 321.352 3.280 20 5 DGBDRO CC[NH+]1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872017635 622753774 /nfs/dbraw/zinc/75/37/74/622753774.db2.gz DEJGVOZJWSWVSW-GFCCVEGCSA-N 1 0 323.462 3.452 20 5 DGBDRO CC[NH+]1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872017636 622753798 /nfs/dbraw/zinc/75/37/98/622753798.db2.gz DEJGVOZJWSWVSW-LBPRGKRZSA-N 1 0 323.462 3.452 20 5 DGBDRO CC[C@@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000872019913 622755447 /nfs/dbraw/zinc/75/54/47/622755447.db2.gz BRBRDXHEKKWNDI-OLZOCXBDSA-N 1 0 309.385 3.259 20 5 DGBDRO Cc1nc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000872021431 622756482 /nfs/dbraw/zinc/75/64/82/622756482.db2.gz QLHVNFLVTOHQQF-SECBINFHSA-N 1 0 309.366 3.392 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000872024614 622757790 /nfs/dbraw/zinc/75/77/90/622757790.db2.gz UKUAXSGUBSTAGC-VXGBXAGGSA-N 1 0 309.435 3.062 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000872024612 622758288 /nfs/dbraw/zinc/75/82/88/622758288.db2.gz UKUAXSGUBSTAGC-NWDGAFQWSA-N 1 0 309.435 3.062 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000872024838 622758677 /nfs/dbraw/zinc/75/86/77/622758677.db2.gz WJZPQYJRPPJVNQ-VXGBXAGGSA-N 1 0 312.435 3.374 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc(O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872026402 622759666 /nfs/dbraw/zinc/75/96/66/622759666.db2.gz AFPSFFZGOFXXDP-NSHDSACASA-N 1 0 304.321 3.333 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)CC[NH+](C)C ZINC000872028938 622762041 /nfs/dbraw/zinc/76/20/41/622762041.db2.gz NPGPFRHLKULAST-VXGBXAGGSA-N 1 0 311.451 3.308 20 5 DGBDRO C[C@H](NCC[N@H+](C)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034983 622765765 /nfs/dbraw/zinc/76/57/65/622765765.db2.gz SYLDOVGNGXPSJM-LBPRGKRZSA-N 1 0 309.385 3.259 20 5 DGBDRO C[C@@H]([NH2+]CCCNc1ccccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041810 622769529 /nfs/dbraw/zinc/76/95/29/622769529.db2.gz KZQNAYYYIPRAPO-GFCCVEGCSA-N 1 0 318.352 3.282 20 5 DGBDRO C[C@H]([NH2+]CCNc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042725 622770819 /nfs/dbraw/zinc/77/08/19/622770819.db2.gz REELWIOSTWUTQQ-LBPRGKRZSA-N 1 0 303.337 3.497 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000872048371 622774302 /nfs/dbraw/zinc/77/43/02/622774302.db2.gz YSEKWLRQOBSAOQ-NWDGAFQWSA-N 1 0 320.418 3.253 20 5 DGBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000872050807 622776685 /nfs/dbraw/zinc/77/66/85/622776685.db2.gz FTPIERUVXMKRON-GOEBONIOSA-N 1 0 306.406 3.321 20 5 DGBDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872052324 622776951 /nfs/dbraw/zinc/77/69/51/622776951.db2.gz CFMILIICNHOAFJ-XHDPSFHLSA-N 1 0 310.369 3.182 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000872063449 622783656 /nfs/dbraw/zinc/78/36/56/622783656.db2.gz PWPIDMBEAONIAN-ZLKJLUDKSA-N 1 0 310.419 3.271 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C1(CO)CC1 ZINC000872086740 622797150 /nfs/dbraw/zinc/79/71/50/622797150.db2.gz YVMNJWSZNDZPIM-QWRGUYRKSA-N 1 0 310.419 3.128 20 5 DGBDRO C[C@@H]([NH2+]CC1SCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088263 622798395 /nfs/dbraw/zinc/79/83/95/622798395.db2.gz NHPGJUGCGHWFGZ-MRVPVSSYSA-N 1 0 302.396 3.191 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872092813 622801099 /nfs/dbraw/zinc/80/10/99/622801099.db2.gz RIKQEYQXAPWGEO-XBFCOCLRSA-N 1 0 322.380 3.447 20 5 DGBDRO C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872096436 622803925 /nfs/dbraw/zinc/80/39/25/622803925.db2.gz ZXFZAGVPAAGLAT-IAQYHMDHSA-N 1 0 310.369 3.326 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000872129572 622823541 /nfs/dbraw/zinc/82/35/41/622823541.db2.gz LOTMMYZQRJHCKE-GIPNMCIBSA-N 1 0 318.295 3.355 20 5 DGBDRO CC(C)(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000872234853 622863432 /nfs/dbraw/zinc/86/34/32/622863432.db2.gz ZSAXROQOZAEEJM-OAHLLOKOSA-N 1 0 318.373 3.309 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000873007812 623015653 /nfs/dbraw/zinc/01/56/53/623015653.db2.gz GKQLYWPJBVXIPP-UHFFFAOYSA-N 1 0 316.405 3.205 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000873007157 623015829 /nfs/dbraw/zinc/01/58/29/623015829.db2.gz IYCYEYZTYDWCAE-INIZCTEOSA-N 1 0 317.389 3.197 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000873029750 623020963 /nfs/dbraw/zinc/02/09/63/623020963.db2.gz PUYDYAJAVVGCNG-OAHLLOKOSA-N 1 0 305.422 3.032 20 5 DGBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873051773 623025452 /nfs/dbraw/zinc/02/54/52/623025452.db2.gz GQIQJVRSSJJEKC-OAHLLOKOSA-N 1 0 312.373 3.169 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873059300 623028042 /nfs/dbraw/zinc/02/80/42/623028042.db2.gz PHLMOEJVFQMGRC-QGZVFWFLSA-N 1 0 314.385 3.159 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000873069350 623030594 /nfs/dbraw/zinc/03/05/94/623030594.db2.gz DBCUOJYGYBFKLD-YVEFUNNKSA-N 1 0 318.348 3.254 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873126473 623041975 /nfs/dbraw/zinc/04/19/75/623041975.db2.gz HPWBIRKMDXYJRQ-DYVFJYSZSA-N 1 0 300.358 3.115 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000774133838 623110710 /nfs/dbraw/zinc/11/07/10/623110710.db2.gz HYGBIUZGBRARDP-KBXCAEBGSA-N 1 0 317.433 3.436 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](c2cccs2)C2CC2)cc1 ZINC000774412771 623141031 /nfs/dbraw/zinc/14/10/31/623141031.db2.gz SYNNDVLNVAPAJL-GOEBONIOSA-N 1 0 318.398 3.431 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000775060054 623223878 /nfs/dbraw/zinc/22/38/78/623223878.db2.gz GDFZRCXJRALKQD-LLVKDONJSA-N 1 0 307.350 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)cc1Cl ZINC000775157902 623237090 /nfs/dbraw/zinc/23/70/90/623237090.db2.gz LRUQIEYVOYYPRA-AWEZNQCLSA-N 1 0 323.824 3.355 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000124839208 623241232 /nfs/dbraw/zinc/24/12/32/623241232.db2.gz WLXVDPRPVQGWLZ-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775391767 623265662 /nfs/dbraw/zinc/26/56/62/623265662.db2.gz FAKPPWGXNVIJDV-YUELXQCFSA-N 1 0 324.471 3.107 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775391765 623266064 /nfs/dbraw/zinc/26/60/64/623266064.db2.gz FAKPPWGXNVIJDV-SNPRPXQTSA-N 1 0 324.471 3.107 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775400660 623268476 /nfs/dbraw/zinc/26/84/76/623268476.db2.gz RDCJSBWGDMDVGN-BNOWGMLFSA-N 1 0 310.444 3.064 20 5 DGBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588098 623444083 /nfs/dbraw/zinc/44/40/83/623444083.db2.gz KQMDSLLSTAVINM-OAGGEKHMSA-N 1 0 324.446 3.234 20 5 DGBDRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602125 623445655 /nfs/dbraw/zinc/44/56/55/623445655.db2.gz SLIUXZWGYMLVDN-DLBZAZTESA-N 1 0 315.373 3.106 20 5 DGBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000777009917 623485368 /nfs/dbraw/zinc/48/53/68/623485368.db2.gz JMVMKVITTKZDFK-BXKDBHETSA-N 1 0 306.284 3.131 20 5 DGBDRO CC1(C)CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777956113 623589800 /nfs/dbraw/zinc/58/98/00/623589800.db2.gz BMBGTIDNWWZKPX-UHFFFAOYSA-N 1 0 300.362 3.148 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H]1C ZINC000777958568 623590936 /nfs/dbraw/zinc/59/09/36/623590936.db2.gz RHWWVMHJMDIKPN-ZIAGYGMSSA-N 1 0 314.389 3.394 20 5 DGBDRO C[C@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)[C@H]1C ZINC000777963392 623591654 /nfs/dbraw/zinc/59/16/54/623591654.db2.gz KSPLVZXZYBQQEW-STQMWFEESA-N 1 0 300.362 3.146 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C(C)(C)N1CCCC1 ZINC000805613709 623692883 /nfs/dbraw/zinc/69/28/83/623692883.db2.gz UOVRUKOUBHOZLW-ZDUSSCGKSA-N 1 0 320.389 3.382 20 5 DGBDRO CSC(C)(C)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000876753746 623698073 /nfs/dbraw/zinc/69/80/73/623698073.db2.gz NSVPKHDOCPCRFF-LBPRGKRZSA-N 1 0 324.450 3.008 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000876765946 623701145 /nfs/dbraw/zinc/70/11/45/623701145.db2.gz XMRDOEWFIAXMQF-DZGCQCFKSA-N 1 0 305.422 3.126 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000876765948 623701490 /nfs/dbraw/zinc/70/14/90/623701490.db2.gz XMRDOEWFIAXMQF-UKRRQHHQSA-N 1 0 305.422 3.126 20 5 DGBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1c(F)cccc1F ZINC000876950564 623752969 /nfs/dbraw/zinc/75/29/69/623752969.db2.gz QAXCUVYBYJGBOA-KPPDAEKUSA-N 1 0 322.315 3.124 20 5 DGBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877004787 623764329 /nfs/dbraw/zinc/76/43/29/623764329.db2.gz RODQJGPQNIDAJD-WOICTCIZSA-N 1 0 306.410 3.443 20 5 DGBDRO CC(C)[C@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877021584 623768314 /nfs/dbraw/zinc/76/83/14/623768314.db2.gz VLWUSTGKJFEBIC-HESLUPGFSA-N 1 0 306.410 3.299 20 5 DGBDRO Cc1ccc([C@H](C)C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000877052258 623777013 /nfs/dbraw/zinc/77/70/13/623777013.db2.gz UNGIHXQXNMPGGS-IUDNXUCKSA-N 1 0 314.389 3.197 20 5 DGBDRO C[C@](O)(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000877441957 623885049 /nfs/dbraw/zinc/88/50/49/623885049.db2.gz VHCWQVWCHYUOCA-SFHVURJKSA-N 1 0 314.385 3.025 20 5 DGBDRO CC(=O)c1c(NC2CC([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000882288075 625684232 /nfs/dbraw/zinc/68/42/32/625684232.db2.gz DWRBFSXKUOZHKV-UHFFFAOYSA-N 1 0 317.389 3.226 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000877508233 623917212 /nfs/dbraw/zinc/91/72/12/623917212.db2.gz UEUWLLLYIJBYKH-QGZVFWFLSA-N 1 0 304.390 3.214 20 5 DGBDRO Cc1c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877553488 623939284 /nfs/dbraw/zinc/93/92/84/623939284.db2.gz TZCPHJIHBISIIV-KRWDZBQOSA-N 1 0 316.401 3.294 20 5 DGBDRO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000877925093 624095836 /nfs/dbraw/zinc/09/58/36/624095836.db2.gz QAUHJIJDABVSGZ-UHFFFAOYSA-N 1 0 302.334 3.019 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877935031 624100613 /nfs/dbraw/zinc/10/06/13/624100613.db2.gz GMVAZROWUXNHSF-NSHDSACASA-N 1 0 302.334 3.019 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C ZINC000878128585 624181155 /nfs/dbraw/zinc/18/11/55/624181155.db2.gz ANNXMTAESKLHBL-VXGBXAGGSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878150728 624190429 /nfs/dbraw/zinc/19/04/29/624190429.db2.gz NOBXCRWLMDDJOJ-VIFPVBQESA-N 1 0 322.752 3.283 20 5 DGBDRO C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878150727 624190622 /nfs/dbraw/zinc/19/06/22/624190622.db2.gz NOBXCRWLMDDJOJ-SECBINFHSA-N 1 0 322.752 3.283 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878341029 624249908 /nfs/dbraw/zinc/24/99/08/624249908.db2.gz RGUSUMGFFTXKHZ-VXGBXAGGSA-N 1 0 316.361 3.408 20 5 DGBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]21 ZINC000782502859 624257277 /nfs/dbraw/zinc/25/72/77/624257277.db2.gz HVIGJJOYUIZSAZ-YYQUZTFQSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000782502860 624257332 /nfs/dbraw/zinc/25/73/32/624257332.db2.gz HVIGJJOYUIZSAZ-ZCPGHIKRSA-N 1 0 304.390 3.139 20 5 DGBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000782656672 624271393 /nfs/dbraw/zinc/27/13/93/624271393.db2.gz TUTHPEJSZOXOME-CHWSQXEVSA-N 1 0 320.311 3.195 20 5 DGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878710157 624345571 /nfs/dbraw/zinc/34/55/71/624345571.db2.gz AEWOLGHUHTXZDB-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C)C1 ZINC000878728014 624349684 /nfs/dbraw/zinc/34/96/84/624349684.db2.gz ICJMLDYCVCMIJA-VXGBXAGGSA-N 1 0 316.361 3.265 20 5 DGBDRO C[N@H+](CCOC(C)(C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783573380 624368455 /nfs/dbraw/zinc/36/84/55/624368455.db2.gz WFUXIOVXJVKGJU-UHFFFAOYSA-N 1 0 300.786 3.495 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2nccs2)cc1Cl ZINC000783656507 624380155 /nfs/dbraw/zinc/38/01/55/624380155.db2.gz WINHBCHUWSXTEW-UHFFFAOYSA-N 1 0 311.794 3.427 20 5 DGBDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783673243 624381866 /nfs/dbraw/zinc/38/18/66/624381866.db2.gz DNOITTJOJNWRPI-UHFFFAOYSA-N 1 0 314.769 3.070 20 5 DGBDRO CC(C)[C@H](C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000783775670 624395633 /nfs/dbraw/zinc/39/56/33/624395633.db2.gz HYJQDCZXNGLKIA-CZUORRHYSA-N 1 0 320.389 3.319 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784579613 624551669 /nfs/dbraw/zinc/55/16/69/624551669.db2.gz WQWRLAARNBPYSL-KGLIPLIRSA-N 1 0 320.389 3.131 20 5 DGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000805769208 624587711 /nfs/dbraw/zinc/58/77/11/624587711.db2.gz TXCDQPUUDRQTMG-DOMZBBRYSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963479 624738311 /nfs/dbraw/zinc/73/83/11/624738311.db2.gz KGQDPCJMVQRXEC-ZIAGYGMSSA-N 1 0 306.406 3.447 20 5 DGBDRO C[C@H]1c2sccc2CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880377073 624943578 /nfs/dbraw/zinc/94/35/78/624943578.db2.gz NCKOTICJXLEKTN-NHYWBVRUSA-N 1 0 318.398 3.309 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)c1ccsc1 ZINC000786813862 624955875 /nfs/dbraw/zinc/95/58/75/624955875.db2.gz NGTCQUAEOWGULN-JQPKSGMCSA-N 1 0 318.398 3.383 20 5 DGBDRO O=C(OCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786877312 624960885 /nfs/dbraw/zinc/96/08/85/624960885.db2.gz CWJYFKCXGOSZEO-INIZCTEOSA-N 1 0 318.373 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880509717 624969151 /nfs/dbraw/zinc/96/91/51/624969151.db2.gz XFTJECHLIKOMFW-CABCVRRESA-N 1 0 310.781 3.440 20 5 DGBDRO CSC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000788439855 625171990 /nfs/dbraw/zinc/17/19/90/625171990.db2.gz ZCDAXEUUTFRUJG-RYUDHWBXSA-N 1 0 312.439 3.006 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788496815 625198043 /nfs/dbraw/zinc/19/80/43/625198043.db2.gz AVYWNIOQNFDYNS-LLVKDONJSA-N 1 0 303.337 3.209 20 5 DGBDRO C[C@H]([NH2+]C[C@H](C)N1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788527741 625206826 /nfs/dbraw/zinc/20/68/26/625206826.db2.gz OZHUWYYUJBXQPR-IHRRRGAJSA-N 1 0 320.437 3.091 20 5 DGBDRO C[C@@H]1CCCN1CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788584244 625219697 /nfs/dbraw/zinc/21/96/97/625219697.db2.gz IGFKWCBHFVYCMG-DYVFJYSZSA-N 1 0 317.433 3.391 20 5 DGBDRO Cc1ccc(OCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788647594 625234890 /nfs/dbraw/zinc/23/48/90/625234890.db2.gz HCMBQEUXKFKFJP-ZDUSSCGKSA-N 1 0 315.373 3.215 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000788734854 625253480 /nfs/dbraw/zinc/25/34/80/625253480.db2.gz MLGOHGJUPKITQK-JTQLQIEISA-N 1 0 321.764 3.242 20 5 DGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796428171 626048790 /nfs/dbraw/zinc/04/87/90/626048790.db2.gz HSUIMNYDPRFEJL-DOMZBBRYSA-N 1 0 323.824 3.307 20 5 DGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796428061 626048844 /nfs/dbraw/zinc/04/88/44/626048844.db2.gz HFHFRCUGGXGZRM-DOMZBBRYSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CCCC2(CC[NH+](C)CC2)C1 ZINC000798406549 626215998 /nfs/dbraw/zinc/21/59/98/626215998.db2.gz RQEQONREWJCHOJ-UHFFFAOYSA-N 1 0 303.406 3.215 20 5 DGBDRO Cc1cccc(N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000798405555 626216182 /nfs/dbraw/zinc/21/61/82/626216182.db2.gz NEGIKSUEMHCGMI-UHFFFAOYSA-N 1 0 303.406 3.215 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190117 626279192 /nfs/dbraw/zinc/27/91/92/626279192.db2.gz KKGAJYVEUGYRBN-LBPRGKRZSA-N 1 0 301.321 3.118 20 5 DGBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000800871421 626381088 /nfs/dbraw/zinc/38/10/88/626381088.db2.gz UYNMJZQAOCQJSU-HNNXBMFYSA-N 1 0 318.421 3.386 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801517176 626406895 /nfs/dbraw/zinc/40/68/95/626406895.db2.gz AMIUDCFUOILNHD-CABCVRRESA-N 1 0 310.369 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO)CC2CCCCC2)cc1F ZINC000801544348 626408979 /nfs/dbraw/zinc/40/89/79/626408979.db2.gz HMRGDYFCNNBJLN-UHFFFAOYSA-N 1 0 310.369 3.109 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1F ZINC000801555317 626409564 /nfs/dbraw/zinc/40/95/64/626409564.db2.gz KJXDKECNUHVZMV-CYBMUJFWSA-N 1 0 301.321 3.118 20 5 DGBDRO CC(C)[C@@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000803616278 626625392 /nfs/dbraw/zinc/62/53/92/626625392.db2.gz MGZHPGKSAWOOSA-HNNXBMFYSA-N 1 0 321.421 3.417 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000803856198 626644450 /nfs/dbraw/zinc/64/44/50/626644450.db2.gz MPJDAVOGJFFTHE-GFCCVEGCSA-N 1 0 324.352 3.042 20 5 DGBDRO C[C@@H](OC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000803854849 626644528 /nfs/dbraw/zinc/64/45/28/626644528.db2.gz BITLOWCSQNNXIY-ZIAGYGMSSA-N 1 0 320.389 3.464 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883364589 626662547 /nfs/dbraw/zinc/66/25/47/626662547.db2.gz JUDBLAJGBIIQNQ-BYPUDFOVSA-N 1 0 302.374 3.299 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883364903 626662900 /nfs/dbraw/zinc/66/29/00/626662900.db2.gz PZARIOUDRJRVHS-HNNXBMFYSA-N 1 0 320.389 3.185 20 5 DGBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000804332135 626670122 /nfs/dbraw/zinc/67/01/22/626670122.db2.gz XTXOQYIYHAZWFQ-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804454931 626681713 /nfs/dbraw/zinc/68/17/13/626681713.db2.gz USXXZDUAYTZXKU-GFCCVEGCSA-N 1 0 322.365 3.179 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806140820 626701801 /nfs/dbraw/zinc/70/18/01/626701801.db2.gz BZDRIZJBWKTGJC-ZDUSSCGKSA-N 1 0 317.776 3.463 20 5 DGBDRO CCCC[NH+]1CCC(Nc2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000807943916 626779018 /nfs/dbraw/zinc/77/90/18/626779018.db2.gz NTPFAKZWJSUEBQ-UHFFFAOYSA-N 1 0 319.405 3.474 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000808176000 626802852 /nfs/dbraw/zinc/80/28/52/626802852.db2.gz APJJMEDDWKDJGP-LBPRGKRZSA-N 1 0 307.394 3.330 20 5 DGBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCCC[NH+]1CCCCC1 ZINC000800098009 626806683 /nfs/dbraw/zinc/80/66/83/626806683.db2.gz XKGUCSTWKHEQBQ-YFHOEESVSA-N 1 0 318.373 3.027 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)c1ccccc1 ZINC000808447143 626825729 /nfs/dbraw/zinc/82/57/29/626825729.db2.gz XTPMXEBNLSRCGG-BZNIZROVSA-N 1 0 320.776 3.460 20 5 DGBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CCC1(C)C ZINC000884572591 626906891 /nfs/dbraw/zinc/90/68/91/626906891.db2.gz QYHHFUXWCURPCS-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1[nH]c(C2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884707703 626932080 /nfs/dbraw/zinc/93/20/80/626932080.db2.gz WUKYUWYUFSSQJX-UHFFFAOYSA-N 1 0 315.377 3.022 20 5 DGBDRO COC(=O)CCCCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809727427 626942741 /nfs/dbraw/zinc/94/27/41/626942741.db2.gz IZBZKHOMZPPPQW-UHFFFAOYSA-N 1 0 314.769 3.071 20 5 DGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767799 626949878 /nfs/dbraw/zinc/94/98/78/626949878.db2.gz UMRWEURBJLKJFY-WBMJQRKESA-N 1 0 323.824 3.164 20 5 DGBDRO CC1(C2CC2)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810064872 626974058 /nfs/dbraw/zinc/97/40/58/626974058.db2.gz YKCGXTZDWKLWCA-MRXNPFEDSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000886014488 627083635 /nfs/dbraw/zinc/08/36/35/627083635.db2.gz IMKRQMUPKXZXSF-AWEZNQCLSA-N 1 0 315.348 3.194 20 5 DGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1C[C@]12CCOC2 ZINC000886046856 627092882 /nfs/dbraw/zinc/09/28/82/627092882.db2.gz RAEBBOHEVJPEPE-DOMZBBRYSA-N 1 0 310.781 3.107 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C12CCCCC2 ZINC000886171723 627116875 /nfs/dbraw/zinc/11/68/75/627116875.db2.gz MRJHSXQXPQCXLM-LSDHHAIUSA-N 1 0 319.405 3.207 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H]3C[C@@]34CCOC4)C2)cc1 ZINC000886231993 627124856 /nfs/dbraw/zinc/12/48/56/627124856.db2.gz NZWZSWFYPIXVPJ-SOLBZPMBSA-N 1 0 316.401 3.201 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3C[C@@]34CCOC4)C2)cc1 ZINC000886231990 627125050 /nfs/dbraw/zinc/12/50/50/627125050.db2.gz NZWZSWFYPIXVPJ-JFIYKMOQSA-N 1 0 316.401 3.201 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886289145 627132467 /nfs/dbraw/zinc/13/24/67/627132467.db2.gz OGFWMMIXYWAGAH-YFCVBGDOSA-N 1 0 302.374 3.157 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCc4cccnc43)c2c1 ZINC000886610474 627172815 /nfs/dbraw/zinc/17/28/15/627172815.db2.gz BXAWHRBZEYFZKE-QGZVFWFLSA-N 1 0 322.368 3.291 20 5 DGBDRO C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000886717701 627197294 /nfs/dbraw/zinc/19/72/94/627197294.db2.gz GQCZRJASMMUPSF-WCQYABFASA-N 1 0 307.394 3.033 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(C2CC2)CCC1 ZINC000886825190 627209306 /nfs/dbraw/zinc/20/93/06/627209306.db2.gz OHZZQQKPMLIJFJ-GFCCVEGCSA-N 1 0 317.389 3.234 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886830682 627209619 /nfs/dbraw/zinc/20/96/19/627209619.db2.gz WBSWWPXOEMLYPQ-IAQYHMDHSA-N 1 0 310.781 3.249 20 5 DGBDRO O=C(C[NH2+]C1(C2CC2)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000887146149 627229680 /nfs/dbraw/zinc/22/96/80/627229680.db2.gz IGHXFLWLCKULQI-UHFFFAOYSA-N 1 0 323.780 3.109 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300531171 627273017 /nfs/dbraw/zinc/27/30/17/627273017.db2.gz VPOIVBCMPLRCGS-ZJUUUORDSA-N 1 0 313.760 3.426 20 5 DGBDRO COC(=O)[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC(C)C ZINC000813333372 627479413 /nfs/dbraw/zinc/47/94/13/627479413.db2.gz MGEZPKNIQUDJCI-DDJMYBDESA-N 1 0 320.389 3.033 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(NCCCC[N@H+](C)C2CC2)c1 ZINC000840316379 627554818 /nfs/dbraw/zinc/55/48/18/627554818.db2.gz OGERBTYAYILXNE-UHFFFAOYSA-N 1 0 311.357 3.029 20 5 DGBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000815406137 627670766 /nfs/dbraw/zinc/67/07/66/627670766.db2.gz VVSZIZYQTOQOFK-UHFFFAOYSA-N 1 0 314.769 3.055 20 5 DGBDRO C[C@H]([NH2+]CCc1cc(F)ccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585274 627687570 /nfs/dbraw/zinc/68/75/70/627687570.db2.gz CENJCDJTGKUQSD-JTQLQIEISA-N 1 0 321.327 3.349 20 5 DGBDRO Cc1cccc(F)c1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583907 627687803 /nfs/dbraw/zinc/68/78/03/627687803.db2.gz QZLAIRUXXHYTQK-LLVKDONJSA-N 1 0 303.337 3.475 20 5 DGBDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815590410 627688570 /nfs/dbraw/zinc/68/85/70/627688570.db2.gz VIYGGQICVKHOFQ-NWDGAFQWSA-N 1 0 300.362 3.292 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627153 627692254 /nfs/dbraw/zinc/69/22/54/627692254.db2.gz VGGWQAZXBOCAPB-DGCLKSJQSA-N 1 0 313.357 3.004 20 5 DGBDRO C[C@H](NCc1ccccc1[N+](=O)[O-])c1cnn(C2CCC2)c1 ZINC000925312138 627729213 /nfs/dbraw/zinc/72/92/13/627729213.db2.gz XGOUMNLSGPRVFZ-LBPRGKRZSA-N 1 0 300.362 3.367 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000817282441 627877282 /nfs/dbraw/zinc/87/72/82/627877282.db2.gz FDEPHYYNUFPUJC-WBVHZDCISA-N 1 0 304.390 3.140 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000926492549 627903861 /nfs/dbraw/zinc/90/38/61/627903861.db2.gz FQBFXVBTSWWDJS-LCGIIJARSA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817589533 627927620 /nfs/dbraw/zinc/92/76/20/627927620.db2.gz ODIHFZPBFDJSOL-AAEUAGOBSA-N 1 0 321.446 3.361 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc([N+](=O)[O-])c1 ZINC000926941774 627986274 /nfs/dbraw/zinc/98/62/74/627986274.db2.gz IPHCGKNWHFFJSM-FSDCSDTHSA-N 1 0 302.374 3.227 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927061775 628005460 /nfs/dbraw/zinc/00/54/60/628005460.db2.gz SKXFFQHHTFCNIH-IAQYHMDHSA-N 1 0 312.373 3.300 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(C2CC2)nn1C ZINC000927100559 628014345 /nfs/dbraw/zinc/01/43/45/628014345.db2.gz YORSXLXYMGWGPZ-GFCCVEGCSA-N 1 0 314.389 3.365 20 5 DGBDRO Cc1cc(C)c(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000818952036 628066160 /nfs/dbraw/zinc/06/61/60/628066160.db2.gz WCZBNZJDKAFCFX-GOSISDBHSA-N 1 0 314.385 3.343 20 5 DGBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000818966775 628068778 /nfs/dbraw/zinc/06/87/78/628068778.db2.gz OHHFBCKXNQZOPD-XFBWCDHKSA-N 1 0 316.357 3.134 20 5 DGBDRO C[C@@H](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000818992867 628074895 /nfs/dbraw/zinc/07/48/95/628074895.db2.gz FQLUEKAQQJPEBT-KBXCAEBGSA-N 1 0 314.385 3.412 20 5 DGBDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819012865 628077358 /nfs/dbraw/zinc/07/73/58/628077358.db2.gz KKWHKWKBFWHSCW-SJLPKXTDSA-N 1 0 314.385 3.239 20 5 DGBDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819016995 628078676 /nfs/dbraw/zinc/07/86/76/628078676.db2.gz AWEIGCZJNUZWSW-QZTJIDSGSA-N 1 0 312.369 3.214 20 5 DGBDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819016993 628079043 /nfs/dbraw/zinc/07/90/43/628079043.db2.gz AWEIGCZJNUZWSW-MSOLQXFVSA-N 1 0 312.369 3.214 20 5 DGBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819016038 628079156 /nfs/dbraw/zinc/07/91/56/628079156.db2.gz FVNUDMAVBNXYRY-UKPHBRMFSA-N 1 0 306.406 3.433 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000819082811 628088956 /nfs/dbraw/zinc/08/89/56/628088956.db2.gz VWQIAVFJRNVLIK-CABCVRRESA-N 1 0 316.382 3.065 20 5 DGBDRO Cc1ccc([C@@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819089824 628090451 /nfs/dbraw/zinc/09/04/51/628090451.db2.gz UZPFKXVKFJMANF-KSSFIOAISA-N 1 0 314.385 3.330 20 5 DGBDRO CCC(CC)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)SC ZINC000819119108 628095467 /nfs/dbraw/zinc/09/54/67/628095467.db2.gz PPTMXBVRLZUWNV-CQSZACIVSA-N 1 0 312.435 3.140 20 5 DGBDRO CCS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819133791 628097856 /nfs/dbraw/zinc/09/78/56/628097856.db2.gz RJBBVUQHYHHOHM-NUEKZKHPSA-N 1 0 324.446 3.282 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000819192012 628110215 /nfs/dbraw/zinc/11/02/15/628110215.db2.gz WMJRPAFSXCLVQJ-INIZCTEOSA-N 1 0 320.776 3.114 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)c1ccccc1 ZINC000819214102 628113938 /nfs/dbraw/zinc/11/39/38/628113938.db2.gz ZCWQZPIMMXWUKC-INIZCTEOSA-N 1 0 320.776 3.114 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2C[C@@H](C)CC[NH2+]2)n1 ZINC000822807789 628497670 /nfs/dbraw/zinc/49/76/70/628497670.db2.gz HGHPEYNXLMBUQS-TVQRCGJNSA-N 1 0 302.334 3.014 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@](C)(O)c1ccccc1 ZINC000823606001 628579211 /nfs/dbraw/zinc/57/92/11/628579211.db2.gz PCYOGSBXBBJNNQ-KRWDZBQOSA-N 1 0 318.348 3.073 20 5 DGBDRO CCC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])COC1 ZINC000825079280 628725789 /nfs/dbraw/zinc/72/57/89/628725789.db2.gz QBDGOEJZCIIRQA-UHFFFAOYSA-N 1 0 319.188 3.418 20 5 DGBDRO COC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000825321990 628749276 /nfs/dbraw/zinc/74/92/76/628749276.db2.gz UHXBIMADTQRUHU-LBPRGKRZSA-N 1 0 312.797 3.497 20 5 DGBDRO COCCN(CCF)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000827053587 628917305 /nfs/dbraw/zinc/91/73/05/628917305.db2.gz BTIZRMABCXSYAO-UHFFFAOYSA-N 1 0 322.336 3.273 20 5 DGBDRO C[C@@H]1CCC[N@@H+]1CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000827695911 628983566 /nfs/dbraw/zinc/98/35/66/628983566.db2.gz FHXWNOZVBNBXFU-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000827857227 628997713 /nfs/dbraw/zinc/99/77/13/628997713.db2.gz ZBFJSXCADKRFIB-ZBEGNZNMSA-N 1 0 320.776 3.460 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CSCC1CC[NH2+]CC1 ZINC000830483868 629275966 /nfs/dbraw/zinc/27/59/66/629275966.db2.gz NQFYUOMGZBTDSO-UHFFFAOYSA-N 1 0 300.811 3.481 20 5 DGBDRO O=C(CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000831539354 629388293 /nfs/dbraw/zinc/38/82/93/629388293.db2.gz QFXXFZQSNGINRI-OAHLLOKOSA-N 1 0 302.374 3.143 20 5 DGBDRO CC1(C)COC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000832175012 629448305 /nfs/dbraw/zinc/44/83/05/629448305.db2.gz GWICJFKQCVJADO-LLVKDONJSA-N 1 0 319.188 3.416 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H](C)C1 ZINC000832690465 629504707 /nfs/dbraw/zinc/50/47/07/629504707.db2.gz IABIVTOIBZOXGH-RMRKRWHISA-N 1 0 306.406 3.433 20 5 DGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000840860421 630368515 /nfs/dbraw/zinc/36/85/15/630368515.db2.gz UZXCOKJTJOCIKO-UVWXRNBGSA-N 1 0 307.394 3.031 20 5 DGBDRO C[N@H+](CCC(C)(C)C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000842632679 630555773 /nfs/dbraw/zinc/55/57/73/630555773.db2.gz ZBCNAUIFOLEWJB-UHFFFAOYSA-N 1 0 317.393 3.179 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000842833346 630582424 /nfs/dbraw/zinc/58/24/24/630582424.db2.gz LDESZWMTGNPMGE-AWEZNQCLSA-N 1 0 320.389 3.180 20 5 DGBDRO Cc1cc(-c2noc(CCCCCC[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000843238953 630637589 /nfs/dbraw/zinc/63/75/89/630637589.db2.gz AWDRHNJSFDYQKW-UHFFFAOYSA-N 1 0 304.350 3.015 20 5 DGBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC12CC=CC2 ZINC000843297878 630643475 /nfs/dbraw/zinc/64/34/75/630643475.db2.gz WERIOEWXELYNNF-IAGOWNOFSA-N 1 0 316.401 3.305 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC000844909644 630975338 /nfs/dbraw/zinc/97/53/38/630975338.db2.gz OGDNQQXDFMVWNG-KBPBESRZSA-N 1 0 314.345 3.156 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000105909019 631175065 /nfs/dbraw/zinc/17/50/65/631175065.db2.gz DKPZCABDXGERGP-GFCCVEGCSA-N 1 0 312.778 3.133 20 5 DGBDRO COc1ccc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846040171 631207557 /nfs/dbraw/zinc/20/75/57/631207557.db2.gz WKLZUKCXOZCWCL-KGLIPLIRSA-N 1 0 316.760 3.398 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846038914 631207573 /nfs/dbraw/zinc/20/75/73/631207573.db2.gz OJFZWUVMNISYNA-KDOFPFPSSA-N 1 0 314.385 3.289 20 5 DGBDRO C[C@H]1C[C@H](C)[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848479434 631668348 /nfs/dbraw/zinc/66/83/48/631668348.db2.gz AFXAJJQLLNIETH-STQMWFEESA-N 1 0 300.362 3.146 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000848484761 631669117 /nfs/dbraw/zinc/66/91/17/631669117.db2.gz QALIPCPTBHGWOP-UHFFFAOYSA-N 1 0 312.373 3.292 20 5 DGBDRO C[C@@H](O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848527028 631678174 /nfs/dbraw/zinc/67/81/74/631678174.db2.gz PJFVCQHTJMGYMD-SJKOYZFVSA-N 1 0 312.369 3.425 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848572229 631698041 /nfs/dbraw/zinc/69/80/41/631698041.db2.gz WOXQDFMZZQABKR-JSGCOSHPSA-N 1 0 319.405 3.319 20 5 DGBDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCc1cccc([N+](=O)[O-])c1 ZINC000849001467 631802698 /nfs/dbraw/zinc/80/26/98/631802698.db2.gz HAHIPVHREFTMOJ-AWEZNQCLSA-N 1 0 320.437 3.466 20 5 DGBDRO [NH2+]=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1 ZINC000849079240 631828831 /nfs/dbraw/zinc/82/88/31/631828831.db2.gz BFRYZNINNIKGKN-UHFFFAOYSA-N 1 0 323.356 3.255 20 5 DGBDRO CCc1ccc(NC(=[NH2+])NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000849088747 631832657 /nfs/dbraw/zinc/83/26/57/631832657.db2.gz WSSYIIXUDBDDAV-UHFFFAOYSA-N 1 0 312.373 3.336 20 5 DGBDRO Cc1cc(C)cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000849329799 631893890 /nfs/dbraw/zinc/89/38/90/631893890.db2.gz WLUNLKRMJOOWHL-KRWDZBQOSA-N 1 0 300.358 3.035 20 5 DGBDRO C[C@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000849731318 631952808 /nfs/dbraw/zinc/95/28/08/631952808.db2.gz AXNPSFSNKNSZHV-GRYCIOLGSA-N 1 0 324.352 3.038 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850378415 632131965 /nfs/dbraw/zinc/13/19/65/632131965.db2.gz CIFQJHGVDITWET-PUZFDUQFSA-N 1 0 324.327 3.012 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)[NH+]1CCCCC1 ZINC000850423702 632148317 /nfs/dbraw/zinc/14/83/17/632148317.db2.gz AGSALUCDLSPASD-UONOGXRCSA-N 1 0 321.421 3.128 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)[NH+]1CCCCC1 ZINC000850423699 632148496 /nfs/dbraw/zinc/14/84/96/632148496.db2.gz AGSALUCDLSPASD-KBPBESRZSA-N 1 0 321.421 3.128 20 5 DGBDRO C[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccn1 ZINC000850482328 632165952 /nfs/dbraw/zinc/16/59/52/632165952.db2.gz NWFXASBOMQQPKW-VXGBXAGGSA-N 1 0 300.362 3.026 20 5 DGBDRO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850495278 632171695 /nfs/dbraw/zinc/17/16/95/632171695.db2.gz ZIMPOAJZYZSTJA-RISCZKNCSA-N 1 0 307.394 3.033 20 5 DGBDRO CC1(C)CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850577697 632200425 /nfs/dbraw/zinc/20/04/25/632200425.db2.gz GFPCVWPDMAOEOP-UHFFFAOYSA-N 1 0 303.406 3.342 20 5 DGBDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000850579666 632201004 /nfs/dbraw/zinc/20/10/04/632201004.db2.gz XWCPPLMZZHHKAA-LBPRGKRZSA-N 1 0 315.373 3.345 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2COC(C)(C)O2)cc1[N+](=O)[O-] ZINC000851906088 632519350 /nfs/dbraw/zinc/51/93/50/632519350.db2.gz LGDDGEOWKMVVSG-TZMCWYRMSA-N 1 0 308.378 3.095 20 5 DGBDRO Cc1noc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000852047328 632544407 /nfs/dbraw/zinc/54/44/07/632544407.db2.gz ZQLAVZZCVCLBTK-SMDDNHRTSA-N 1 0 301.346 3.474 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000852531939 632618130 /nfs/dbraw/zinc/61/81/30/632618130.db2.gz ZULKLJVRNRATIP-NSHDSACASA-N 1 0 311.313 3.075 20 5 DGBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H](CF)C2)c1Br ZINC000711475151 660954229 /nfs/dbraw/zinc/95/42/29/660954229.db2.gz ILOAHFOCHKRXQM-VIFPVBQESA-N 1 0 317.158 3.149 20 5 DGBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000792925829 660994119 /nfs/dbraw/zinc/99/41/19/660994119.db2.gz LCEKFCPRVAZXKE-QGZVFWFLSA-N 1 0 314.385 3.495 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000792945014 660996088 /nfs/dbraw/zinc/99/60/88/660996088.db2.gz ZZXZTRMCFVZAEE-HNNXBMFYSA-N 1 0 310.781 3.251 20 5 DGBDRO Cc1cc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000793537878 661043377 /nfs/dbraw/zinc/04/33/77/661043377.db2.gz CAVOZFDUDIHXNQ-AWEZNQCLSA-N 1 0 316.405 3.310 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1Cl ZINC000793619046 661050590 /nfs/dbraw/zinc/05/05/90/661050590.db2.gz CGIGIYLMKRAHTK-HNNXBMFYSA-N 1 0 310.781 3.251 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC(C)=C(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794878417 661111264 /nfs/dbraw/zinc/11/12/64/661111264.db2.gz DCDFIAUMDXXNDK-UHFFFAOYSA-N 1 0 300.362 3.253 20 5 DGBDRO CC(C)([NH2+]C[C@H](O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000795222135 661134206 /nfs/dbraw/zinc/13/42/06/661134206.db2.gz QDBDQVZEGCRVJF-INIZCTEOSA-N 1 0 318.348 3.292 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933878577 655737321 /nfs/dbraw/zinc/73/73/21/655737321.db2.gz WVDBHVQSZSMRBP-OAHLLOKOSA-N 1 0 308.353 3.315 20 5 DGBDRO COCCC(C)(C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000234655609 655746795 /nfs/dbraw/zinc/74/67/95/655746795.db2.gz VJCFHPVFQIDZMT-UHFFFAOYSA-N 1 0 300.786 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC23CCCC3)c(Cl)c1 ZINC000934386835 655772797 /nfs/dbraw/zinc/77/27/97/655772797.db2.gz SFUANWQCZTYKIZ-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC1(C)OCCO1 ZINC000715964063 661216421 /nfs/dbraw/zinc/21/64/21/661216421.db2.gz CSZFLOOBEUATGO-STQMWFEESA-N 1 0 308.378 3.035 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000057127604 659004168 /nfs/dbraw/zinc/00/41/68/659004168.db2.gz YSFKOTPBTHMSNV-CQSZACIVSA-N 1 0 315.348 3.420 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(CO)CCCCC1 ZINC000157376135 659050408 /nfs/dbraw/zinc/05/04/08/659050408.db2.gz YYQPNZZOQBJFCT-UHFFFAOYSA-N 1 0 312.797 3.281 20 5 DGBDRO CS(=O)(=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000062423189 659325075 /nfs/dbraw/zinc/32/50/75/659325075.db2.gz XSBPXOKWFKGJTK-UHFFFAOYSA-N 1 0 313.422 3.127 20 5 DGBDRO CC[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000173900884 659404640 /nfs/dbraw/zinc/40/46/40/659404640.db2.gz VJVCTLDKRUYDQR-ZBFHGGJFSA-N 1 0 314.389 3.265 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000175264981 659918194 /nfs/dbraw/zinc/91/81/94/659918194.db2.gz AWZMGEZSJOTCDN-BBRMVZONSA-N 1 0 314.389 3.244 20 5 DGBDRO C[C@@H]([NH2+]CCSc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000932176422 661544577 /nfs/dbraw/zinc/54/45/77/661544577.db2.gz DNBSJUCNYYZFAV-GFCCVEGCSA-N 1 0 303.387 3.433 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1 ZINC000932177465 661544699 /nfs/dbraw/zinc/54/46/99/661544699.db2.gz YFCHYUCOFPIPAP-OASPWFOLSA-N 1 0 318.295 3.355 20 5 DGBDRO C[C@@H]([NH2+]CC[S@@](=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932179890 661544887 /nfs/dbraw/zinc/54/48/87/661544887.db2.gz NAUQRYBVHWCITO-MCMMXHMISA-N 1 0 318.398 3.053 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000932181754 661545392 /nfs/dbraw/zinc/54/53/92/661545392.db2.gz CEWFTQDLIHFGTD-MGPQQGTHSA-N 1 0 319.405 3.035 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CSC)CC1 ZINC000932591441 661584065 /nfs/dbraw/zinc/58/40/65/661584065.db2.gz YQNCZYXSCLABAV-UHFFFAOYSA-N 1 0 310.419 3.178 20 5 DGBDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000934112067 661680963 /nfs/dbraw/zinc/68/09/63/661680963.db2.gz QKZSVJBBYULFOP-STQMWFEESA-N 1 0 318.295 3.223 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1F ZINC000934838240 661739909 /nfs/dbraw/zinc/73/99/09/661739909.db2.gz NXSAFSQYEXJNDO-LSDHHAIUSA-N 1 0 322.380 3.373 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH+]2CCCCCCC2)cccc1[N+](=O)[O-] ZINC000042288986 661839541 /nfs/dbraw/zinc/83/95/41/661839541.db2.gz GHIPTBPSDOWXMZ-AWEZNQCLSA-N 1 0 319.405 3.496 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001620780088 1191862786 /nfs/dbraw/zinc/86/27/86/1191862786.db2.gz YWCJQABUBIJCIJ-MRXNPFEDSA-N 1 0 319.449 3.422 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001617726564 1191876840 /nfs/dbraw/zinc/87/68/40/1191876840.db2.gz DJVBHUDYOJRVOY-JKSUJKDBSA-N 1 0 306.406 3.321 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001617727076 1191878109 /nfs/dbraw/zinc/87/81/09/1191878109.db2.gz GFSSYHVUBFNRRV-LSDHHAIUSA-N 1 0 310.369 3.417 20 5 DGBDRO [NH3+][C@@H](CCNc1c(F)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC001580128685 1192008596 /nfs/dbraw/zinc/00/85/96/1192008596.db2.gz ZBGSRMDSJVWYDZ-ZDUSSCGKSA-N 1 0 303.337 3.106 20 5 DGBDRO [NH3+][C@@H](C[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1)C1CCCC1 ZINC001580126100 1192008738 /nfs/dbraw/zinc/00/87/38/1192008738.db2.gz DXLUEUYMVOEKLX-ZFWWWQNUSA-N 1 0 318.421 3.114 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCCC[NH2+]2)cc1OC(F)F ZINC001580875433 1192043365 /nfs/dbraw/zinc/04/33/65/1192043365.db2.gz LDKLSYUIIONREX-LLVKDONJSA-N 1 0 315.320 3.140 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC001580874939 1192043523 /nfs/dbraw/zinc/04/35/23/1192043523.db2.gz PTILCPOJRVQPPE-OCCSQVGLSA-N 1 0 307.369 3.092 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@]23CCCOC3)c1 ZINC001620684401 1192066105 /nfs/dbraw/zinc/06/61/05/1192066105.db2.gz IXWRLQRAZVPUCJ-QGZVFWFLSA-N 1 0 320.389 3.009 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001335132886 1178859369 /nfs/dbraw/zinc/85/93/69/1178859369.db2.gz YQENWXKUIATMDN-SOUVJXGZSA-N 1 0 303.406 3.070 20 5 DGBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001342326387 1179130296 /nfs/dbraw/zinc/13/02/96/1179130296.db2.gz QGLGQBPGHYNWFW-UHFFFAOYSA-N 1 0 314.769 3.022 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC001346263355 1179677390 /nfs/dbraw/zinc/67/73/90/1179677390.db2.gz HNCOZCICVNYZHO-KBAYOESNSA-N 1 0 312.369 3.022 20 5 DGBDRO CO[C@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001347105654 1179778139 /nfs/dbraw/zinc/77/81/39/1179778139.db2.gz YLLQZZMFYVGJDB-QGZVFWFLSA-N 1 0 304.390 3.158 20 5 DGBDRO O=[N+]([O-])c1ncccc1CN1CCC(Nc2ccccc2)CC1 ZINC001350084348 1180012110 /nfs/dbraw/zinc/01/21/10/1180012110.db2.gz AKJACRDLCZKNFO-UHFFFAOYSA-N 1 0 312.373 3.066 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2C[C@]2(C)Br)cccc1[N+](=O)[O-] ZINC001352021274 1180281089 /nfs/dbraw/zinc/28/10/89/1180281089.db2.gz BGQDKUVGRUMDPF-AAEUAGOBSA-N 1 0 313.195 3.166 20 5 DGBDRO CC(C)c1ncc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC001200126430 1180393651 /nfs/dbraw/zinc/39/36/51/1180393651.db2.gz FBDKTQIJXZRPGU-UHFFFAOYSA-N 1 0 321.402 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1 ZINC001356533518 1181210322 /nfs/dbraw/zinc/21/03/22/1181210322.db2.gz FYFZHTGMEXDHHZ-HNNXBMFYSA-N 1 0 324.739 3.211 20 5 DGBDRO C[C@@H]1CCC[C@](CNc2ncc([N+](=O)[O-])cc2F)([NH+](C)C)C1 ZINC001458120476 1182498228 /nfs/dbraw/zinc/49/82/28/1182498228.db2.gz LQZKJBPNFVHCBV-ABAIWWIYSA-N 1 0 310.373 3.051 20 5 DGBDRO CC[C@@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001458541204 1182536895 /nfs/dbraw/zinc/53/68/95/1182536895.db2.gz YMFLHEBUJSLRBI-VHSXEESVSA-N 1 0 317.311 3.190 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC001458707937 1182550114 /nfs/dbraw/zinc/55/01/14/1182550114.db2.gz VSFIULKDVYWPPU-HOCLYGCPSA-N 1 0 321.396 3.433 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C12CCC2 ZINC001461566472 1182828973 /nfs/dbraw/zinc/82/89/73/1182828973.db2.gz RYNSQTBXHKFSBK-HOTGVXAUSA-N 1 0 304.390 3.259 20 5 DGBDRO Cn1cc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC001461645285 1182837606 /nfs/dbraw/zinc/83/76/06/1182837606.db2.gz MRDUZMZARDVAQJ-UHFFFAOYSA-N 1 0 309.369 3.419 20 5 DGBDRO Cn1c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc2ccccc21 ZINC001462190155 1182920923 /nfs/dbraw/zinc/92/09/23/1182920923.db2.gz LNQYDLQPBCERDB-UHFFFAOYSA-N 1 0 324.384 3.052 20 5 DGBDRO Cc1cc(N2CC[N@H+](C3CCCC3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001472879031 1183695243 /nfs/dbraw/zinc/69/52/43/1183695243.db2.gz WHSHFTDPCIQEGL-CYBMUJFWSA-N 1 0 321.396 3.495 20 5 DGBDRO CC(C)c1nc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c[nH]1 ZINC001472886045 1183695890 /nfs/dbraw/zinc/69/58/90/1183695890.db2.gz KSJGTOOVBBHBTN-UHFFFAOYSA-N 1 0 315.377 3.327 20 5 DGBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001473797356 1183805045 /nfs/dbraw/zinc/80/50/45/1183805045.db2.gz LRXSUFSDNSRQKL-AWEZNQCLSA-N 1 0 303.406 3.044 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001473806440 1183805919 /nfs/dbraw/zinc/80/59/19/1183805919.db2.gz CEAULVKZKRJMHE-ZIAGYGMSSA-N 1 0 322.405 3.350 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCSC[C@H]2C2CC2)cc1 ZINC001473843808 1183811452 /nfs/dbraw/zinc/81/14/52/1183811452.db2.gz MADQMPLFZGIDQT-INIZCTEOSA-N 1 0 306.431 3.355 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)c1 ZINC001473884440 1183818996 /nfs/dbraw/zinc/81/89/96/1183818996.db2.gz IUQBFGJLVIRFDU-DLBZAZTESA-N 1 0 320.389 3.007 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2COc3ccccc3C2)cccc1[N+](=O)[O-] ZINC001473916615 1183826784 /nfs/dbraw/zinc/82/67/84/1183826784.db2.gz DKDYZOKPVLTUMY-CQSZACIVSA-N 1 0 312.369 3.244 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(O)cc(Cl)c2)cc1 ZINC001473982102 1183842413 /nfs/dbraw/zinc/84/24/13/1183842413.db2.gz ZKNIKLLGJBDWJC-UHFFFAOYSA-N 1 0 322.748 3.122 20 5 DGBDRO Cc1cccc2c1C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CO2 ZINC001474218201 1183884498 /nfs/dbraw/zinc/88/44/98/1183884498.db2.gz YRHDJZZFJLOBBW-HNNXBMFYSA-N 1 0 312.369 3.305 20 5 DGBDRO CC[N@@H+]1CC[C@H]1CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001612809724 1193461517 /nfs/dbraw/zinc/46/15/17/1193461517.db2.gz CIEWVCAAFFNSGN-VIFPVBQESA-N 1 0 303.284 3.120 20 5 DGBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC001616631077 1193543741 /nfs/dbraw/zinc/54/37/41/1193543741.db2.gz YTGNFKSTSBCSHJ-CQSZACIVSA-N 1 0 304.390 3.486 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@H]1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC001617464584 1193570452 /nfs/dbraw/zinc/57/04/52/1193570452.db2.gz GOKMWIWYBUZWDR-SFHVURJKSA-N 1 0 319.449 3.332 20 5 DGBDRO C[N@H+](CCOCC1CCCC1)CCc1ccccc1[N+](=O)[O-] ZINC001617859519 1193583523 /nfs/dbraw/zinc/58/35/23/1193583523.db2.gz CSQPDKNQVSREPG-UHFFFAOYSA-N 1 0 306.406 3.276 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1(C)C ZINC001559219588 1189182495 /nfs/dbraw/zinc/18/24/95/1189182495.db2.gz TXZOOAVKJVWNQK-HUUCEWRRSA-N 1 0 314.389 3.284 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCCOC(F)(F)F)C2CC2)c1 ZINC001559607479 1189223000 /nfs/dbraw/zinc/22/30/00/1189223000.db2.gz NKFNGOPGOKSOAO-UHFFFAOYSA-N 1 0 318.295 3.486 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC2(CCC2)CO1 ZINC001559782704 1189241231 /nfs/dbraw/zinc/24/12/31/1189241231.db2.gz WTLCAJPQAZCOFQ-QGZVFWFLSA-N 1 0 318.417 3.418 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2([C@@H]3CCCO3)CCC2)c1 ZINC001560227657 1189294637 /nfs/dbraw/zinc/29/46/37/1189294637.db2.gz SXFASWZXCWKASK-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1c(CNC[C@H](C(C)C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC001560260745 1189301536 /nfs/dbraw/zinc/30/15/36/1189301536.db2.gz UEALZUOZTKOPAX-QGZVFWFLSA-N 1 0 305.422 3.113 20 5 DGBDRO CS[C@H](C)C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001560411202 1189324625 /nfs/dbraw/zinc/32/46/25/1189324625.db2.gz TVDJEDHQFKSQDA-MRVPVSSYSA-N 1 0 319.224 3.198 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccncc1F ZINC001560712064 1189364487 /nfs/dbraw/zinc/36/44/87/1189364487.db2.gz ZKFCPJHUBCMIBW-UHFFFAOYSA-N 1 0 309.728 3.115 20 5 DGBDRO CC(C)C[N@H+](C)CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001560915920 1189405125 /nfs/dbraw/zinc/40/51/25/1189405125.db2.gz ADDUJGGBKSAIGK-UHFFFAOYSA-N 1 0 313.829 3.316 20 5 DGBDRO COCCC1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC001560945013 1189408657 /nfs/dbraw/zinc/40/86/57/1189408657.db2.gz ZPFSVRLCZNNIGT-UHFFFAOYSA-N 1 0 306.406 3.460 20 5 DGBDRO COC[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC001561020889 1189421496 /nfs/dbraw/zinc/42/14/96/1189421496.db2.gz UBDTXYUZDRDJIT-ZBFHGGJFSA-N 1 0 308.422 3.424 20 5 DGBDRO CC(C)=CCC[C@@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575390444 1191477959 /nfs/dbraw/zinc/47/79/59/1191477959.db2.gz UXHIZMRZFMSLTQ-DYVFJYSZSA-N 1 0 319.405 3.020 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001575967103 1191520705 /nfs/dbraw/zinc/52/07/05/1191520705.db2.gz VAWZUILTZOWFLR-GDBMZVCRSA-N 1 0 319.449 3.284 20 5 DGBDRO Cn1cc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2(C)C)c([N+](=O)[O-])n1 ZINC001618478933 1193740510 /nfs/dbraw/zinc/74/05/10/1193740510.db2.gz XNLYLCOXRNTVJQ-ZDUSSCGKSA-N 1 0 308.426 3.365 20 5 DGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1occc1C ZINC001618606015 1193744998 /nfs/dbraw/zinc/74/49/98/1193744998.db2.gz BRCAARBMWXGXJV-UHFFFAOYSA-N 1 0 304.346 3.397 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001621361851 1193832906 /nfs/dbraw/zinc/83/29/06/1193832906.db2.gz RCXPFAYGPFCALM-MRXNPFEDSA-N 1 0 320.389 3.320 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)cc1 ZINC001621381705 1193835594 /nfs/dbraw/zinc/83/55/94/1193835594.db2.gz PQGNWXOYPQMPSC-MCIONIFRSA-N 1 0 302.374 3.094 20 5 DGBDRO CC[N@@H+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001639655671 1194775716 /nfs/dbraw/zinc/77/57/16/1194775716.db2.gz MWICXMSSJQSOEU-JTQLQIEISA-N 1 0 317.311 3.144 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(NCc2ccc3c[nH+]cn3c2)c(F)c1 ZINC001640009075 1194791201 /nfs/dbraw/zinc/79/12/01/1194791201.db2.gz MUBXJOBDZAVWTH-UHFFFAOYSA-N 1 0 304.256 3.133 20 5 DGBDRO Cc1cnc(CCNc2c3ccccc3ncc2[N+](=O)[O-])c(C)c1 ZINC001640095125 1194796546 /nfs/dbraw/zinc/79/65/46/1194796546.db2.gz PKAKWVWTTLDGNI-UHFFFAOYSA-N 1 0 322.368 3.231 20 5 DGBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C)C1 ZINC001642938577 1194955322 /nfs/dbraw/zinc/95/53/22/1194955322.db2.gz YTPLIFGKZAYQLT-GDBMZVCRSA-N 1 0 322.405 3.111 20 5 DGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1(C)C ZINC001643131896 1194997588 /nfs/dbraw/zinc/99/75/88/1194997588.db2.gz WYSZENPNERDCSP-CVEARBPZSA-N 1 0 322.405 3.285 20 5 DGBDRO CC[C@H](C)[N@H+](CC)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001643799390 1195055375 /nfs/dbraw/zinc/05/53/75/1195055375.db2.gz MYWORTUTTVPVJS-JTQLQIEISA-N 1 0 313.785 3.307 20 5 DGBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001647831741 1195256485 /nfs/dbraw/zinc/25/64/85/1195256485.db2.gz XIYYCUCLWXTWSY-UONOGXRCSA-N 1 0 319.405 3.495 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001648442329 1195301395 /nfs/dbraw/zinc/30/13/95/1195301395.db2.gz GYZCFGVNLXOQRP-UONOGXRCSA-N 1 0 312.373 3.244 20 5 DGBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001652157065 1195555708 /nfs/dbraw/zinc/55/57/08/1195555708.db2.gz DNVAMYPMKJLRQG-AWEZNQCLSA-N 1 0 312.373 3.163 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CCCC3)[C@H](C)C2)c1 ZINC001652234062 1195566886 /nfs/dbraw/zinc/56/68/86/1195566886.db2.gz MXOQNKVTZXTTSX-CQSZACIVSA-N 1 0 303.406 3.356 20 5 DGBDRO Cc1cc(N2CC[NH2+][C@H](c3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC001652255434 1195570567 /nfs/dbraw/zinc/57/05/67/1195570567.db2.gz SXLWFCGMQQIXIO-HNNXBMFYSA-N 1 0 315.348 3.193 20 5 DGBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1C ZINC001654218876 1195785305 /nfs/dbraw/zinc/78/53/05/1195785305.db2.gz PZGNFZBCTDPKRJ-UONOGXRCSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1C ZINC001654218877 1195785579 /nfs/dbraw/zinc/78/55/79/1195785579.db2.gz PZGNFZBCTDPKRJ-ZIAGYGMSSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC001654235190 1195787376 /nfs/dbraw/zinc/78/73/76/1195787376.db2.gz CWYPIJRCFKQLFC-CQSZACIVSA-N 1 0 310.369 3.435 20 5 DGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001654402278 1195800259 /nfs/dbraw/zinc/80/02/59/1195800259.db2.gz ZHHVXUBPJFDRLI-HIFRSBDPSA-N 1 0 310.419 3.367 20 5 DGBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](CO)c1ccccc1 ZINC001654616853 1195823096 /nfs/dbraw/zinc/82/30/96/1195823096.db2.gz PQRYUIKTYMJKCQ-SFHVURJKSA-N 1 0 314.385 3.459 20 5 DGBDRO Cc1c(C[NH+]2CCC(c3ncccn3)CC2)cccc1[N+](=O)[O-] ZINC001654845126 1195846759 /nfs/dbraw/zinc/84/67/59/1195846759.db2.gz BWVVWMYPARSCFR-UHFFFAOYSA-N 1 0 312.373 3.073 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CCCCC2)CC1 ZINC001655003496 1195863906 /nfs/dbraw/zinc/86/39/06/1195863906.db2.gz INSRKPPSKJWQQE-UHFFFAOYSA-N 1 0 306.410 3.146 20 5 DGBDRO Cc1cccnc1[C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001655077355 1195872601 /nfs/dbraw/zinc/87/26/01/1195872601.db2.gz WVIFEDOBJFQOLC-CYBMUJFWSA-N 1 0 301.346 3.028 20 5 DGBDRO COCC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001655485330 1195923003 /nfs/dbraw/zinc/92/30/03/1195923003.db2.gz QZJMYXOYSQGQSK-GFCCVEGCSA-N 1 0 304.346 3.369 20 5 DGBDRO COCC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001655485331 1195923361 /nfs/dbraw/zinc/92/33/61/1195923361.db2.gz QZJMYXOYSQGQSK-LBPRGKRZSA-N 1 0 304.346 3.369 20 5 DGBDRO C[N@@H+]1CCC[C@H]1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001655731078 1195957555 /nfs/dbraw/zinc/95/75/55/1195957555.db2.gz XBPXSMORBFIWRL-QMMMGPOBSA-N 1 0 304.177 3.408 20 5 DGBDRO C[NH2+]C1(CNc2nccc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC001655795707 1195963253 /nfs/dbraw/zinc/96/32/53/1195963253.db2.gz AVCXPGJSVXUCOC-UHFFFAOYSA-N 1 0 314.389 3.477 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCOC23CCCCC3)c1 ZINC001655791122 1195963565 /nfs/dbraw/zinc/96/35/65/1195963565.db2.gz OOFCFWWDJIUTBC-INIZCTEOSA-N 1 0 320.389 3.055 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CCOCC12CCCC2 ZINC001655902993 1195975734 /nfs/dbraw/zinc/97/57/34/1195975734.db2.gz UNFRODBBRWEHOP-HNNXBMFYSA-N 1 0 308.353 3.173 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1csc([N+](=O)[O-])c1 ZINC001656474323 1196043159 /nfs/dbraw/zinc/04/31/59/1196043159.db2.gz ILSDDNAJZUJTJE-LSDHHAIUSA-N 1 0 323.462 3.351 20 5 DGBDRO CCC[C@@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC001656483342 1196043655 /nfs/dbraw/zinc/04/36/55/1196043655.db2.gz PKSVOPPYGYRWDZ-QGZVFWFLSA-N 1 0 316.405 3.405 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001656774067 1196070154 /nfs/dbraw/zinc/07/01/54/1196070154.db2.gz IWLLLWYAGWZCOJ-UONOGXRCSA-N 1 0 305.422 3.256 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H](O)C1CCCC1 ZINC001656819301 1196073011 /nfs/dbraw/zinc/07/30/11/1196073011.db2.gz SZSDNYOFWZBMGB-KRWDZBQOSA-N 1 0 306.406 3.242 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccc3oc(=O)[nH]c3c2)cccc1[N+](=O)[O-] ZINC001656915363 1196083087 /nfs/dbraw/zinc/08/30/87/1196083087.db2.gz ZCHJQAVXWGPUOM-UHFFFAOYSA-N 1 0 313.313 3.040 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CN1CCC[C@@H](C)C1 ZINC001656947321 1196085444 /nfs/dbraw/zinc/08/54/44/1196085444.db2.gz UCSIVRNSMNXZLU-HIFRSBDPSA-N 1 0 319.449 3.422 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cccc3ncccc23)c1 ZINC001657092550 1196103847 /nfs/dbraw/zinc/10/38/47/1196103847.db2.gz TVZXSLJYDAUPBD-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC001657110936 1196107323 /nfs/dbraw/zinc/10/73/23/1196107323.db2.gz CCJHOPXCWZOMBZ-UHFFFAOYSA-N 1 0 322.796 3.275 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(F)c(F)c2F)cc1 ZINC001657144387 1196110624 /nfs/dbraw/zinc/11/06/24/1196110624.db2.gz HMEHRUPDADJSOW-UHFFFAOYSA-N 1 0 310.275 3.344 20 5 DGBDRO CC1CCC([N@H+](CC[N+](=O)[O-])Cc2ccc3c(c2)OCO3)CC1 ZINC001657178375 1196115843 /nfs/dbraw/zinc/11/58/43/1196115843.db2.gz KKJGHJZQZOPFHI-UHFFFAOYSA-N 1 0 320.389 3.073 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001657322885 1196130358 /nfs/dbraw/zinc/13/03/58/1196130358.db2.gz NRAPLZKOMZAXMQ-YOEHRIQHSA-N 1 0 322.405 3.144 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC001657887959 1196190631 /nfs/dbraw/zinc/19/06/31/1196190631.db2.gz ZPAOLYOKSKDCNB-UHFFFAOYSA-N 1 0 322.368 3.317 20 5 DGBDRO Cc1ccc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C ZINC001657924970 1196193692 /nfs/dbraw/zinc/19/36/92/1196193692.db2.gz YHVORIJCTULJIL-UHFFFAOYSA-N 1 0 324.384 3.420 20 5 DGBDRO Cc1c(C[NH2+]C2(C)CCC3(CC2)OCCO3)cccc1[N+](=O)[O-] ZINC001658147594 1196217977 /nfs/dbraw/zinc/21/79/77/1196217977.db2.gz CFLVSQKWZCVAAG-UHFFFAOYSA-N 1 0 320.389 3.069 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC001658186470 1196222362 /nfs/dbraw/zinc/22/23/62/1196222362.db2.gz QTBPYRYRBIYALN-MRXNPFEDSA-N 1 0 318.417 3.460 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)CCC(C)C ZINC001658285273 1196234902 /nfs/dbraw/zinc/23/49/02/1196234902.db2.gz VLBMCAABWIKLFO-SCZPIIQISA-N 1 0 306.406 3.385 20 5 DGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001658354006 1196245648 /nfs/dbraw/zinc/24/56/48/1196245648.db2.gz BUHOLYLWZOKFAI-XJKSGUPXSA-N 1 0 319.405 3.482 20 5 DGBDRO CC(C)C1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001658531785 1196269473 /nfs/dbraw/zinc/26/94/73/1196269473.db2.gz HKWQSYUUGUEXFX-UHFFFAOYSA-N 1 0 303.406 3.153 20 5 DGBDRO CC1(C)CC[C@@H](CO)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001659544165 1196393772 /nfs/dbraw/zinc/39/37/72/1196393772.db2.gz JQDUUJOSDLNUMY-ZDUSSCGKSA-N 1 0 312.797 3.231 20 5 DGBDRO CO[C@H](C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001660097030 1196445486 /nfs/dbraw/zinc/44/54/86/1196445486.db2.gz PABICMWOTBLWRL-SUMWQHHRSA-N 1 0 306.406 3.493 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)C1(C)CC1 ZINC001660484997 1196490076 /nfs/dbraw/zinc/49/00/76/1196490076.db2.gz XDWSDEFHDAUVOE-GFCCVEGCSA-N 1 0 305.378 3.010 20 5 DGBDRO CC[C@@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)N1CCCC1 ZINC001660880214 1196537707 /nfs/dbraw/zinc/53/77/07/1196537707.db2.gz UZEADAOIGYIZIX-HNNXBMFYSA-N 1 0 305.422 3.176 20 5 DGBDRO Cc1c(C[NH2+]CCOc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC001661047056 1196558773 /nfs/dbraw/zinc/55/87/73/1196558773.db2.gz POPSZULPOXOROE-UHFFFAOYSA-N 1 0 304.321 3.211 20 5 DGBDRO Cc1ccc(NCC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)nc1 ZINC001663334055 1196837050 /nfs/dbraw/zinc/83/70/50/1196837050.db2.gz RJZBWWYKAFETPK-UHFFFAOYSA-N 1 0 314.389 3.117 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001664118718 1196972618 /nfs/dbraw/zinc/97/26/18/1196972618.db2.gz UKEWTOXPQLVATQ-OWCLPIDISA-N 1 0 315.417 3.153 20 5 DGBDRO [NH3+]CCOc1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000122510303 1200269508 /nfs/dbraw/zinc/26/95/08/1200269508.db2.gz NNRVMYYVWKQXAC-UHFFFAOYSA-N 1 0 307.737 3.329 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165047563 721965434 /nfs/dbraw/zinc/96/54/34/721965434.db2.gz VBXYKVFCCDWRDT-OAHLLOKOSA-N 1 0 318.421 3.143 20 5 DGBDRO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)c1ccc(O)cc1 ZINC001169546165 1081599068 /nfs/dbraw/zinc/59/90/68/1081599068.db2.gz IEQOQYKSRGCZCW-LLVKDONJSA-N 1 0 313.357 3.119 20 5 DGBDRO Cc1cc(C)c(-n2cc(CC[NH3+])c3ncccc32)c(C)c1[N+](=O)[O-] ZINC001169708603 1081635918 /nfs/dbraw/zinc/63/59/18/1081635918.db2.gz MATIDVCNQAWWPN-UHFFFAOYSA-N 1 0 324.384 3.360 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170294871 1082337622 /nfs/dbraw/zinc/33/76/22/1082337622.db2.gz DUPBSCVBTMJRBP-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(C)ccn2)c([N+](=O)[O-])c1 ZINC001170298423 1082338357 /nfs/dbraw/zinc/33/83/57/1082338357.db2.gz LPDRCBULDDRLLV-CYBMUJFWSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170298910 1082338372 /nfs/dbraw/zinc/33/83/72/1082338372.db2.gz OGDQITJHGFGVOI-ZYHUDNBSSA-N 1 0 314.332 3.312 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]CCCOC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170321916 1082346463 /nfs/dbraw/zinc/34/64/63/1082346463.db2.gz FCWYVBLPKWVXNV-ZDUSSCGKSA-N 1 0 324.421 3.329 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170355879 1082351138 /nfs/dbraw/zinc/35/11/38/1082351138.db2.gz RYTUIIASEWTMCG-XJKCOSOUSA-N 1 0 322.405 3.034 20 5 DGBDRO CCO[C@H]1CCC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344655 1082355291 /nfs/dbraw/zinc/35/52/91/1082355291.db2.gz DRVMAANMDPBYED-CJNGLKHVSA-N 1 0 322.405 3.035 20 5 DGBDRO CCCO[C@H]1CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344357 1082355304 /nfs/dbraw/zinc/35/53/04/1082355304.db2.gz BBSJLFAUZDHMAQ-CJNGLKHVSA-N 1 0 322.405 3.035 20 5 DGBDRO COc1ccc(C[C@H](C)[NH+]2CCC(SC)CC2)c([N+](=O)[O-])c1 ZINC001170345848 1082356524 /nfs/dbraw/zinc/35/65/24/1082356524.db2.gz MYYBTGMNTMSSPK-LBPRGKRZSA-N 1 0 324.446 3.362 20 5 DGBDRO C[C@H](Oc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218003229 1082992719 /nfs/dbraw/zinc/99/27/19/1082992719.db2.gz PVXQFLXAQLZZMU-QMMMGPOBSA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001218028004 1083011804 /nfs/dbraw/zinc/01/18/04/1083011804.db2.gz SCQPCIDBDZWCAJ-UFBFGSQYSA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001218029129 1083013111 /nfs/dbraw/zinc/01/31/11/1083013111.db2.gz YYEFYRFZILRUBW-PELKAZGASA-N 1 0 302.733 3.154 20 5 DGBDRO [NH3+]CCN(Cc1ccc2[nH]ccc2c1)c1ccccc1[N+](=O)[O-] ZINC001181554877 1083491265 /nfs/dbraw/zinc/49/12/65/1083491265.db2.gz GYUPIJFAXCXIIS-UHFFFAOYSA-N 1 0 310.357 3.041 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC001182734264 1083792803 /nfs/dbraw/zinc/79/28/03/1083792803.db2.gz SQBIVMJEWZMIKP-CQSZACIVSA-N 1 0 320.389 3.464 20 5 DGBDRO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001167778215 1083797045 /nfs/dbraw/zinc/79/70/45/1083797045.db2.gz BZBCGHINUJCAHV-QLFBSQMISA-N 1 0 318.421 3.302 20 5 DGBDRO CCC(CC)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](C)C ZINC001184740559 1084257719 /nfs/dbraw/zinc/25/77/19/1084257719.db2.gz QZKJNJFLMLCFSR-OAHLLOKOSA-N 1 0 319.409 3.249 20 5 DGBDRO Cc1ccc(N2CC[NH+](CCC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001184973512 1084301495 /nfs/dbraw/zinc/30/14/95/1084301495.db2.gz UFPOLOVBNHJTDI-UHFFFAOYSA-N 1 0 305.422 3.461 20 5 DGBDRO Cc1ccc(N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001185881430 1084550885 /nfs/dbraw/zinc/55/08/85/1084550885.db2.gz RZTCPLLYJCKBNU-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001186368652 1084635958 /nfs/dbraw/zinc/63/59/58/1084635958.db2.gz VCGMAALJOULTRC-GFCCVEGCSA-N 1 0 312.801 3.176 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCC2CC[NH+](C(C)C)CC2)n1 ZINC001187197986 1084767866 /nfs/dbraw/zinc/76/78/66/1084767866.db2.gz BALKZSQMCLJKDW-UHFFFAOYSA-N 1 0 306.410 3.221 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Br)c(F)c1F ZINC001226050446 1085847281 /nfs/dbraw/zinc/84/72/81/1085847281.db2.gz PVJKMTPJEQPYEL-QMMMGPOBSA-N 1 0 309.174 3.201 20 5 DGBDRO C[C@H](CCNc1cccc(Br)c1[N+](=O)[O-])[NH+](C)C ZINC000697877871 1087354600 /nfs/dbraw/zinc/35/46/00/1087354600.db2.gz PHFQBWRDNKFWRO-SECBINFHSA-N 1 0 316.199 3.109 20 5 DGBDRO CCC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000691036091 1087574618 /nfs/dbraw/zinc/57/46/18/1087574618.db2.gz HXJAEPIKCKUTOZ-UHFFFAOYSA-N 1 0 300.786 3.231 20 5 DGBDRO C[C@H]([NH3+])c1ccn(-c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])n1 ZINC001158355960 1087786470 /nfs/dbraw/zinc/78/64/70/1087786470.db2.gz LIRSDSXLXOOSRP-QMMMGPOBSA-N 1 0 317.736 3.002 20 5 DGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccc([N+](=O)[O-])n3)c2c1 ZINC001160011733 1088600198 /nfs/dbraw/zinc/60/01/98/1088600198.db2.gz PQSSBPCXLZHTQR-GFCCVEGCSA-N 1 0 310.357 3.132 20 5 DGBDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001160464892 1088817781 /nfs/dbraw/zinc/81/77/81/1088817781.db2.gz APVOYTYSVSNRIA-RTCCRHLQSA-N 1 0 310.785 3.070 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001160468826 1088822638 /nfs/dbraw/zinc/82/26/38/1088822638.db2.gz HXVAGQJOEJQEJK-CNDDSTCGSA-N 1 0 324.812 3.379 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001154983675 1088870829 /nfs/dbraw/zinc/87/08/29/1088870829.db2.gz ALVQZIVNFJZCKS-NXEZZACHSA-N 1 0 320.780 3.478 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001155024886 1088902291 /nfs/dbraw/zinc/90/22/91/1088902291.db2.gz JYDZTVWWWABQEB-CHWSQXEVSA-N 1 0 314.389 3.191 20 5 DGBDRO Cc1nc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)ccc1[N+](=O)[O-] ZINC001160843167 1088989691 /nfs/dbraw/zinc/98/96/91/1088989691.db2.gz RIIICGXZQZHTOE-UHFFFAOYSA-N 1 0 324.384 3.478 20 5 DGBDRO CC(C)(C)[C@H](C[NH3+])Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001160912972 1089016751 /nfs/dbraw/zinc/01/67/51/1089016751.db2.gz BRCTWRKNZZGCML-ZETCQYMHSA-N 1 0 307.181 3.082 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CCNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001160963899 1089048757 /nfs/dbraw/zinc/04/87/57/1089048757.db2.gz JVECNMXQGMBSLI-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001155300987 1089057324 /nfs/dbraw/zinc/05/73/24/1089057324.db2.gz ZFYFWYREKLVMMW-AWEZNQCLSA-N 1 0 320.352 3.165 20 5 DGBDRO Cc1cc(Cl)nc(Nc2cccc(CC[NH3+])c2)c1[N+](=O)[O-] ZINC001161078826 1089107477 /nfs/dbraw/zinc/10/74/77/1089107477.db2.gz LGCADPLNIJSVSK-UHFFFAOYSA-N 1 0 306.753 3.196 20 5 DGBDRO CCC(CC)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC)n2)CC1 ZINC001161095421 1089112772 /nfs/dbraw/zinc/11/27/72/1089112772.db2.gz WHDAEIGDHSDBNI-UHFFFAOYSA-N 1 0 322.409 3.063 20 5 DGBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001155548506 1089155486 /nfs/dbraw/zinc/15/54/86/1089155486.db2.gz DROPAQWCCNSZCF-OLZOCXBDSA-N 1 0 318.764 3.158 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc1-c1ccccc1 ZINC001155588163 1089175607 /nfs/dbraw/zinc/17/56/07/1089175607.db2.gz RKUOMRUFFDGPNW-ILXRZTDVSA-N 1 0 324.384 3.067 20 5 DGBDRO CC[NH+](CC)CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001161970952 1089499963 /nfs/dbraw/zinc/49/99/63/1089499963.db2.gz RDDYKDXCPUIIES-UHFFFAOYSA-N 1 0 305.300 3.367 20 5 DGBDRO CC(C)(C)[NH+]1CC(Nc2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001162221967 1089614641 /nfs/dbraw/zinc/61/46/41/1089614641.db2.gz XPYUGDUZXGDSHF-UHFFFAOYSA-N 1 0 300.362 3.038 20 5 DGBDRO CC(C)(C)[NH+]1CC(Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001162221862 1089615082 /nfs/dbraw/zinc/61/50/82/1089615082.db2.gz VDMPCPQPOBZKNK-UHFFFAOYSA-N 1 0 300.362 3.038 20 5 DGBDRO [NH3+]Cc1cccn1-c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001156736212 1089672012 /nfs/dbraw/zinc/67/20/12/1089672012.db2.gz IJPGLNRPSDNPBA-UHFFFAOYSA-N 1 0 312.304 3.045 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001162397304 1089712693 /nfs/dbraw/zinc/71/26/93/1089712693.db2.gz SJIFACZYNCZJLJ-IUCAKERBSA-N 1 0 303.284 3.295 20 5 DGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162399802 1089716111 /nfs/dbraw/zinc/71/61/11/1089716111.db2.gz DURIZGKOTUUSBW-ZJUUUORDSA-N 1 0 313.785 3.247 20 5 DGBDRO CCCC[NH+](CCCC)CCNc1ncc(F)cc1[N+](=O)[O-] ZINC001156904908 1089738109 /nfs/dbraw/zinc/73/81/09/1089738109.db2.gz JFLDNGQVBMNERN-UHFFFAOYSA-N 1 0 312.389 3.443 20 5 DGBDRO CN(c1ccc2ccc3cccnc3c2n1)[C@]1(C)CCC[NH2+]C1 ZINC001156955749 1089762546 /nfs/dbraw/zinc/76/25/46/1089762546.db2.gz KNMDBJZCNYTURO-LJQANCHMSA-N 1 0 306.413 3.361 20 5 DGBDRO C[C@@H]1C[C@@H](CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001162556792 1089788776 /nfs/dbraw/zinc/78/87/76/1089788776.db2.gz VRYUFKNZYYQXPX-RKDXNWHRSA-N 1 0 303.284 3.024 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC001162847465 1089990914 /nfs/dbraw/zinc/99/09/14/1089990914.db2.gz QSZOSEHEUYNJTI-ZDUSSCGKSA-N 1 0 320.352 3.165 20 5 DGBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ncnc(Cl)c2[N+](=O)[O-])c1 ZINC001162899249 1090014838 /nfs/dbraw/zinc/01/48/38/1090014838.db2.gz LQUFAOZHRVDJOO-QMMMGPOBSA-N 1 0 317.736 3.002 20 5 DGBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc3nc[nH]c3c2[N+](=O)[O-])c1 ZINC001162908938 1090019555 /nfs/dbraw/zinc/01/95/55/1090019555.db2.gz STFDJYGNAHEIMU-SNVBAGLBSA-N 1 0 321.340 3.435 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001163035305 1090058609 /nfs/dbraw/zinc/05/86/09/1090058609.db2.gz KWVNGIURDNYYHJ-UHFFFAOYSA-N 1 0 300.790 3.353 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001163038551 1090058791 /nfs/dbraw/zinc/05/87/91/1090058791.db2.gz IOLYAGRWOHCLAV-UHFFFAOYSA-N 1 0 317.393 3.248 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001157796844 1090112515 /nfs/dbraw/zinc/11/25/15/1090112515.db2.gz IHUROYFLINKRDP-RYUDHWBXSA-N 1 0 312.801 3.236 20 5 DGBDRO CCOc1cc(N[C@H]2C[NH2+]Cc3ccsc32)ccc1[N+](=O)[O-] ZINC001163229246 1090126234 /nfs/dbraw/zinc/12/62/34/1090126234.db2.gz HUSATBYMKNDEAH-LBPRGKRZSA-N 1 0 319.386 3.311 20 5 DGBDRO O=[N+]([O-])c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc(C(F)(F)F)c1 ZINC001163263105 1090133352 /nfs/dbraw/zinc/13/33/52/1090133352.db2.gz YPRZMZOPQACEKA-JCOFBHIZSA-N 1 0 315.295 3.024 20 5 DGBDRO C[NH+](C)CC1CCC(Nc2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001163298531 1090143605 /nfs/dbraw/zinc/14/36/05/1090143605.db2.gz FQTYYWUOYCEGAB-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO C[NH+](C)CC1CCC(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001163301492 1090143859 /nfs/dbraw/zinc/14/38/59/1090143859.db2.gz FMFASCHIIASNOH-UHFFFAOYSA-N 1 0 317.393 3.003 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC001163358621 1090161922 /nfs/dbraw/zinc/16/19/22/1090161922.db2.gz WHFBFYXVJKCGMH-GWCFXTLKSA-N 1 0 312.801 3.174 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001163437476 1090186797 /nfs/dbraw/zinc/18/67/97/1090186797.db2.gz QIYAZXCBWXOVPW-ZDUSSCGKSA-N 1 0 320.437 3.401 20 5 DGBDRO Cc1cc(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001163826422 1090267035 /nfs/dbraw/zinc/26/70/35/1090267035.db2.gz WBVDLAOBWLTKLM-ROUUACIJSA-N 1 0 323.396 3.366 20 5 DGBDRO Cc1cc(-n2c(C[NH3+])cc3cc(Cl)ccc32)ncc1[N+](=O)[O-] ZINC001163897133 1090282115 /nfs/dbraw/zinc/28/21/15/1090282115.db2.gz BXPUXXNOUSRRMR-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cccnc1[N+](=O)[O-] ZINC001163898185 1090282710 /nfs/dbraw/zinc/28/27/10/1090282710.db2.gz NLDJEECUBSGGHU-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H](C)[NH2+]1 ZINC001163920697 1090286860 /nfs/dbraw/zinc/28/68/60/1090286860.db2.gz MAJKXWPKROAYJF-VHSXEESVSA-N 1 0 317.311 3.190 20 5 DGBDRO Cc1cc(N2C[C@@H](C)CC[C@H]2C[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001164070690 1090333823 /nfs/dbraw/zinc/33/38/23/1090333823.db2.gz OYBKZTSEXCEEGU-FZMZJTMJSA-N 1 0 314.389 3.015 20 5 DGBDRO C[C@@]1(C[NH3+])CCCN(c2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001164247724 1090385567 /nfs/dbraw/zinc/38/55/67/1090385567.db2.gz NGESEJHYAYGZHP-QGZVFWFLSA-N 1 0 314.389 3.098 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccc2ccc3cccnc3c2n1 ZINC001164460195 1090426607 /nfs/dbraw/zinc/42/66/07/1090426607.db2.gz AJARKPQGWYDKIE-ZIAGYGMSSA-N 1 0 306.413 3.347 20 5 DGBDRO [NH3+][C@@]12C[C@@H]1CCN(c1ccc3ccc4ccc(Cl)nc4c3n1)C2 ZINC001165326620 1090504606 /nfs/dbraw/zinc/50/46/06/1090504606.db2.gz FSTPTRFTXMNADO-SCLBCKFNSA-N 1 0 324.815 3.364 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2ccc3c([N+](=O)[O-])c[nH]c3n2)CC1 ZINC001166594476 1090625090 /nfs/dbraw/zinc/62/50/90/1090625090.db2.gz PROWIASRKRPJKM-UHFFFAOYSA-N 1 0 317.393 3.003 20 5 DGBDRO Cc1ncc([N+](=O)[O-])c(-n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)n1 ZINC001166650184 1090635391 /nfs/dbraw/zinc/63/53/91/1090635391.db2.gz BYLRAEOJWKNQRE-ZDUSSCGKSA-N 1 0 323.356 3.062 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1N[C@H]1CCCc3cccnc31)C[NH2+]C2 ZINC001168662737 1090685422 /nfs/dbraw/zinc/68/54/22/1090685422.db2.gz ZMYWHEKVFJYNBF-AWEZNQCLSA-N 1 0 310.357 3.083 20 5 DGBDRO Cc1c(C[NH2+][C@H]2COc3cc(F)ccc3C2)cccc1[N+](=O)[O-] ZINC001203180782 1090704310 /nfs/dbraw/zinc/70/43/10/1090704310.db2.gz CEHSTZLTSYLUGU-OAHLLOKOSA-N 1 0 316.332 3.136 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001163038259 1091228383 /nfs/dbraw/zinc/22/83/83/1091228383.db2.gz ABBRMXFHASAPQN-UHFFFAOYSA-N 1 0 300.790 3.353 20 5 DGBDRO CC1=CCC[C@H](C)[C@H]1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001205709283 1091318525 /nfs/dbraw/zinc/31/85/25/1091318525.db2.gz WNVMIIAYLUXIFJ-GJZGRUSLSA-N 1 0 303.406 3.352 20 5 DGBDRO CC[NH+](CC)C1CCN(c2cccc([N+](=O)[O-])c2C(C)=O)CC1 ZINC001119284257 1091431594 /nfs/dbraw/zinc/43/15/94/1091431594.db2.gz DNHDXVBEURHDAD-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO C[C@H]1CCC[C@H](C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001206195263 1091530964 /nfs/dbraw/zinc/53/09/64/1091530964.db2.gz QNUDMFAPMWFCEE-KBPBESRZSA-N 1 0 304.390 3.484 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(C)CC1(C)C ZINC001207357543 1091936127 /nfs/dbraw/zinc/93/61/27/1091936127.db2.gz OTHVRHCFDVJPJZ-SJCJKPOMSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCCO1 ZINC001207700017 1092073757 /nfs/dbraw/zinc/07/37/57/1092073757.db2.gz KUJMEYAXTHRCKB-PBHICJAKSA-N 1 0 306.406 3.465 20 5 DGBDRO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978030 1092456293 /nfs/dbraw/zinc/45/62/93/1092456293.db2.gz NWBLFKAQIGVUHF-HRCADAONSA-N 1 0 306.406 3.106 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978849 1092458754 /nfs/dbraw/zinc/45/87/54/1092458754.db2.gz UWCRGSMJRLUSBB-OFQRWUPVSA-N 1 0 303.406 3.040 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC001168956932 1092462765 /nfs/dbraw/zinc/46/27/65/1092462765.db2.gz CVGLJOZATMSMTN-CABZTGNLSA-N 1 0 320.286 3.380 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCSCc2ccc(F)cc2)C1 ZINC001168965882 1092468357 /nfs/dbraw/zinc/46/83/57/1092468357.db2.gz DFLMYYUWQINANY-DZGCQCFKSA-N 1 0 312.410 3.094 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCOc2cccc(Cl)c2)C1 ZINC001168966915 1092468986 /nfs/dbraw/zinc/46/89/86/1092468986.db2.gz MFDSYACIMDNJOY-GXTWGEPZSA-N 1 0 312.797 3.144 20 5 DGBDRO COc1ccccc1C1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168992488 1092476411 /nfs/dbraw/zinc/47/64/11/1092476411.db2.gz KBYHKUAHSJQVMY-UONOGXRCSA-N 1 0 304.390 3.109 20 5 DGBDRO CC(C)(C)Oc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168992337 1092476655 /nfs/dbraw/zinc/47/66/55/1092476655.db2.gz JLFWKUSGIFGOKE-LSDHHAIUSA-N 1 0 306.406 3.399 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)C1 ZINC001168993575 1092477633 /nfs/dbraw/zinc/47/76/33/1092477633.db2.gz NHKIHSSFQPNHGE-ZBFHGGJFSA-N 1 0 306.381 3.326 20 5 DGBDRO COc1cccc(CC(C)(C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168996967 1092479257 /nfs/dbraw/zinc/47/92/57/1092479257.db2.gz AFJCROYGVBIRCL-LSDHHAIUSA-N 1 0 306.406 3.051 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)C1 ZINC001169001148 1092481083 /nfs/dbraw/zinc/48/10/83/1092481083.db2.gz CVVROUWFGITWNG-NSODJVPESA-N 1 0 310.344 3.377 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(Cl)cn2)C2CC2)C1 ZINC001169002314 1092481228 /nfs/dbraw/zinc/48/12/28/1092481228.db2.gz KQNAURCKGSKJQN-RIEGTJTDSA-N 1 0 309.797 3.221 20 5 DGBDRO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005918 1092482942 /nfs/dbraw/zinc/48/29/42/1092482942.db2.gz DHVRFRFHCTWKBR-OIISXLGYSA-N 1 0 320.433 3.394 20 5 DGBDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169003064 1092483112 /nfs/dbraw/zinc/48/31/12/1092483112.db2.gz MSJAAWIEOWWYKU-SUYBPPKGSA-N 1 0 304.390 3.108 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ncccc2Cl)C2CC2)C1 ZINC001169006219 1092485950 /nfs/dbraw/zinc/48/59/50/1092485950.db2.gz WRTCPOZNOIERBL-QKCSRTOESA-N 1 0 309.797 3.221 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC3CCC3)c2)C1 ZINC001168990209 1092491890 /nfs/dbraw/zinc/49/18/90/1092491890.db2.gz YHDRHHMFILQCAQ-IRXDYDNUSA-N 1 0 318.417 3.401 20 5 DGBDRO COc1cccc(CC(C)(C)C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168990029 1092491909 /nfs/dbraw/zinc/49/19/09/1092491909.db2.gz AWKAWDLLHNOMMU-CVEARBPZSA-N 1 0 320.433 3.299 20 5 DGBDRO COc1cccc(CC(C)(C)C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168990031 1092492547 /nfs/dbraw/zinc/49/25/47/1092492547.db2.gz AWKAWDLLHNOMMU-HZPDHXFCSA-N 1 0 320.433 3.299 20 5 DGBDRO [NH3+][C@@H]1CCc2c3ccccc3n([C@@H]3CC[C@H](C[N+](=O)[O-])C3)c2C1 ZINC001168988212 1092492714 /nfs/dbraw/zinc/49/27/14/1092492714.db2.gz PBTTXKFUOQPVDS-BFHYXJOUSA-N 1 0 313.401 3.075 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C1 ZINC001169030371 1092494846 /nfs/dbraw/zinc/49/48/46/1092494846.db2.gz ZBYSSOZMEWVVSJ-CXAGYDPISA-N 1 0 306.381 3.451 20 5 DGBDRO COc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169036598 1092498449 /nfs/dbraw/zinc/49/84/49/1092498449.db2.gz GZEQPSGABLKABH-KMFMINBZSA-N 1 0 304.390 3.278 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3ccc(O)cc3)CC2)C1 ZINC001169042463 1092500591 /nfs/dbraw/zinc/50/05/91/1092500591.db2.gz DPBBXCWQBKPJIC-XJKSGUPXSA-N 1 0 304.390 3.017 20 5 DGBDRO COc1ccc(C2=CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169042430 1092501259 /nfs/dbraw/zinc/50/12/59/1092501259.db2.gz DHKDGHSAGQGHSF-WMLDXEAASA-N 1 0 316.401 3.230 20 5 DGBDRO Cc1c(F)cnc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169141016 1092557487 /nfs/dbraw/zinc/55/74/87/1092557487.db2.gz ILLNTNRYLRJWFH-BDJLRTHQSA-N 1 0 324.400 3.393 20 5 DGBDRO C[NH+](C)CCOc1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001210954200 1093335435 /nfs/dbraw/zinc/33/54/35/1093335435.db2.gz XYSOPKNTAGFXBZ-UHFFFAOYSA-N 1 0 319.336 3.418 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2CCCC[NH2+]C2)c2ccccc21 ZINC001217770963 1094492264 /nfs/dbraw/zinc/49/22/64/1094492264.db2.gz YUJKGDVYRCUPAQ-CQSZACIVSA-N 1 0 300.358 3.407 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@H]2CC[C@]23CC[NH2+]C3)c2ccccc21 ZINC001217805351 1094498686 /nfs/dbraw/zinc/49/86/86/1094498686.db2.gz IBSLBBCRLZHCMF-ZWKOTPCHSA-N 1 0 312.369 3.407 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C[C@H]2F)c2ccccc21 ZINC001217944409 1094523978 /nfs/dbraw/zinc/52/39/78/1094523978.db2.gz HZTAAWIHYSDBFF-CJNGLKHVSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217952231 1094527909 /nfs/dbraw/zinc/52/79/09/1094527909.db2.gz VNWSDZCIINOOKO-GXSJLCMTSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@@H]1CCCC[NH2+]C1 ZINC001217971217 1094535383 /nfs/dbraw/zinc/53/53/83/1094535383.db2.gz KVNYMECNQOZURC-SNVBAGLBSA-N 1 0 304.268 3.135 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001217989705 1094545435 /nfs/dbraw/zinc/54/54/35/1094545435.db2.gz SXWXJZWOEMKMMW-CABZTGNLSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001217990765 1094546474 /nfs/dbraw/zinc/54/64/74/1094546474.db2.gz WBSNYOWOKPOBKQ-CABZTGNLSA-N 1 0 318.295 3.381 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001135494946 1094554405 /nfs/dbraw/zinc/55/44/05/1094554405.db2.gz OMDNOEWASOZRCV-AWEZNQCLSA-N 1 0 319.405 3.271 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001135495355 1094555461 /nfs/dbraw/zinc/55/54/61/1094555461.db2.gz ZRNGLRNSGVNQME-KGLIPLIRSA-N 1 0 319.405 3.271 20 5 DGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001218027088 1094567073 /nfs/dbraw/zinc/56/70/73/1094567073.db2.gz MMIORJSRHQEZGG-CABZTGNLSA-N 1 0 318.295 3.381 20 5 DGBDRO Cc1c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)ccc2c1CC[NH2+]C2 ZINC001218045984 1094576312 /nfs/dbraw/zinc/57/63/12/1094576312.db2.gz RPOVTEQXEGXURR-QGZVFWFLSA-N 1 0 324.380 3.095 20 5 DGBDRO C[C@@H]1C[C@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)CC[NH2+]1 ZINC001218050372 1094576677 /nfs/dbraw/zinc/57/66/77/1094576677.db2.gz QVGRUTOZHUVZEL-TZMCWYRMSA-N 1 0 309.365 3.466 20 5 DGBDRO C[C@@H]1C[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC001218058244 1094580240 /nfs/dbraw/zinc/58/02/40/1094580240.db2.gz VZOFQRSNXUBDIR-SFYZADRCSA-N 1 0 305.161 3.421 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3CC[NH2+]C[C@@H]3F)c2)c1 ZINC001218069331 1094585894 /nfs/dbraw/zinc/58/58/94/1094585894.db2.gz IAGIYZFJOWNXAU-IRXDYDNUSA-N 1 0 316.332 3.341 20 5 DGBDRO c1ccc2nc3c(cccc3OC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc2c1 ZINC001218079652 1094590596 /nfs/dbraw/zinc/59/05/96/1094590596.db2.gz COLBSKURHHHZMZ-GPMSIDNRSA-N 1 0 320.392 3.001 20 5 DGBDRO c1ccc2nc3cc(O[C@@H]4CSC5(C[NH2+]C5)C4)ccc3nc2c1 ZINC001218105165 1094607075 /nfs/dbraw/zinc/60/70/75/1094607075.db2.gz XRNKPKGINDGCSF-ZDUSSCGKSA-N 1 0 323.421 3.009 20 5 DGBDRO c1ccc2cc3cc(O[C@@H]4CN5C[C@H]4[NH2+]CC5)ccc3cc2c1 ZINC001218110542 1094609077 /nfs/dbraw/zinc/60/90/77/1094609077.db2.gz JQAJMMZYEGMMQZ-WOJBJXKFSA-N 1 0 304.393 3.028 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3CC[C@]34CC[NH2+]C4)ccc21 ZINC001218119479 1094618060 /nfs/dbraw/zinc/61/80/60/1094618060.db2.gz SEVZQDHEOYUNLT-UYAOXDASSA-N 1 0 321.376 3.467 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@]23CC[NH2+]C3)cc1C(F)(F)F ZINC001218118977 1094618068 /nfs/dbraw/zinc/61/80/68/1094618068.db2.gz WTADZKAWEDOFOA-OLZOCXBDSA-N 1 0 316.279 3.135 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@H]3CC[C@@]34CC[NH2+]C4)ccc21 ZINC001218119475 1094618395 /nfs/dbraw/zinc/61/83/95/1094618395.db2.gz SEVZQDHEOYUNLT-ICSRJNTNSA-N 1 0 321.376 3.467 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218119387 1094618516 /nfs/dbraw/zinc/61/85/16/1094618516.db2.gz XXANKMYTUXKXNU-QWHCGFSZSA-N 1 0 316.279 3.135 20 5 DGBDRO C[NH2+][C@H]1CC[C@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001218189403 1094649439 /nfs/dbraw/zinc/64/94/39/1094649439.db2.gz DPYSODMELPXYSN-JOCQHMNTSA-N 1 0 301.346 3.052 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CCC3(C[NH2+]C3)C2)cc1Cl ZINC001218235767 1094669359 /nfs/dbraw/zinc/66/93/59/1094669359.db2.gz UCWNEKZSWCTUSI-QMMMGPOBSA-N 1 0 317.172 3.423 20 5 DGBDRO CC(C)(C)c1ccc(O[C@@H]2CCC3(C[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001218234874 1094669709 /nfs/dbraw/zinc/66/97/09/1094669709.db2.gz MFWVSIQZDYXYCS-CYBMUJFWSA-N 1 0 304.390 3.413 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3CCC34C[NH2+]C4)cc2)cc1 ZINC001218238428 1094671874 /nfs/dbraw/zinc/67/18/74/1094671874.db2.gz AJKDNNVOXYTTNM-QGZVFWFLSA-N 1 0 310.353 3.393 20 5 DGBDRO O=c1oc2cc(O[C@H]3CCC34C[NH2+]C4)ccc2c2ccccc21 ZINC001218238541 1094673753 /nfs/dbraw/zinc/67/37/53/1094673753.db2.gz BHUVNTNXNSAZJK-KRWDZBQOSA-N 1 0 307.349 3.077 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC23C[NH2+]C3)c(Cl)cc1Cl ZINC001218241658 1094675006 /nfs/dbraw/zinc/67/50/06/1094675006.db2.gz VDFUDMRQSOYVJP-LLVKDONJSA-N 1 0 303.145 3.032 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC23C[NH2+]C3)c(Cl)c1Cl ZINC001218240913 1094675178 /nfs/dbraw/zinc/67/51/78/1094675178.db2.gz GQXLZANILKGXDY-SECBINFHSA-N 1 0 303.145 3.032 20 5 DGBDRO F[C@@H]1[C@H]2CC[C@@H](C[C@@H]1Oc1cccc3nc4ccccc4nc31)[NH2+]2 ZINC001218270426 1094690016 /nfs/dbraw/zinc/69/00/16/1094690016.db2.gz JLTPAHAFLHBBQS-SNLJCNTPSA-N 1 0 323.371 3.393 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001336721648 1094710378 /nfs/dbraw/zinc/71/03/78/1094710378.db2.gz NIRFAYRULRBOEW-PBHICJAKSA-N 1 0 304.390 3.213 20 5 DGBDRO CCC(=O)[C@H]1C[C@@H](Oc2cccc3ccc4cccnc4c32)C[NH2+]1 ZINC001218323931 1094717825 /nfs/dbraw/zinc/71/78/25/1094717825.db2.gz UPZFSEZBBIASFE-HZPDHXFCSA-N 1 0 320.392 3.476 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC23CC3)ccc1C(F)(F)F ZINC001218398509 1094750318 /nfs/dbraw/zinc/75/03/18/1094750318.db2.gz FQNURZOMFQGHKL-LBPRGKRZSA-N 1 0 316.279 3.135 20 5 DGBDRO C[C@H]1CC[C@@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C[NH2+]1 ZINC001218399336 1094750721 /nfs/dbraw/zinc/75/07/21/1094750721.db2.gz PLFODHXEXYVUOE-GXTWGEPZSA-N 1 0 309.365 3.466 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC001218420959 1094766584 /nfs/dbraw/zinc/76/65/84/1094766584.db2.gz VEMPKWPBRVNXQR-PXAZEXFGSA-N 1 0 309.365 3.323 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001218421321 1094766804 /nfs/dbraw/zinc/76/68/04/1094766804.db2.gz HFYXHZZKCOWZCU-HQJQHLMTSA-N 1 0 305.161 3.278 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001218444469 1094778694 /nfs/dbraw/zinc/77/86/94/1094778694.db2.gz IVOOBDNUWYPWIP-MZMPZRCHSA-N 1 0 310.353 3.391 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]Cc3ccccc32)c(Cl)c1 ZINC001218486712 1094812726 /nfs/dbraw/zinc/81/27/26/1094812726.db2.gz QJMMPDPMFSLQPH-HNNXBMFYSA-N 1 0 304.733 3.472 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(F)c1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218489075 1094816064 /nfs/dbraw/zinc/81/60/64/1094816064.db2.gz ZZDMDWDIBNKMMZ-CYBMUJFWSA-N 1 0 306.268 3.096 20 5 DGBDRO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cc2cccnc2c2ncccc12 ZINC001218979903 1094920136 /nfs/dbraw/zinc/92/01/36/1094920136.db2.gz KWNIOIZCMDYJGF-ZDUSSCGKSA-N 1 0 320.396 3.111 20 5 DGBDRO Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)[C@@H](C)[NH3+] ZINC001219211001 1094950992 /nfs/dbraw/zinc/95/09/92/1094950992.db2.gz ROFVZISZRISCGZ-GFCCVEGCSA-N 1 0 322.412 3.048 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(OC[C@H]2CCCC[NH2+]C2)cc1F ZINC000697089319 1095042380 /nfs/dbraw/zinc/04/23/80/1095042380.db2.gz MAPSXPHHMLNDHU-VIFPVBQESA-N 1 0 302.733 3.156 20 5 DGBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N[C@@H]1C[C@H]1F ZINC001220212427 1095065097 /nfs/dbraw/zinc/06/50/97/1095065097.db2.gz JGXGDGBZWFGDAH-CEXWTWQISA-N 1 0 322.383 3.089 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001337733491 1095074903 /nfs/dbraw/zinc/07/49/03/1095074903.db2.gz MQXUFNFORCIFSU-RDJZCZTQSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC001337735100 1095076758 /nfs/dbraw/zinc/07/67/58/1095076758.db2.gz SHLWTIYNKWNKQW-HOTGVXAUSA-N 1 0 312.373 3.182 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001171035969 1095166357 /nfs/dbraw/zinc/16/63/57/1095166357.db2.gz JNXJVILLZDTIDV-BLLLJJGKSA-N 1 0 319.405 3.480 20 5 DGBDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001160468473 1095450967 /nfs/dbraw/zinc/45/09/67/1095450967.db2.gz AEERLPMWSAAAFC-RTCCRHLQSA-N 1 0 310.785 3.070 20 5 DGBDRO O=[N+]([O-])c1cccc(CO[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001222769498 1095748706 /nfs/dbraw/zinc/74/87/06/1095748706.db2.gz UUEKBYPCSGTQOO-SFHVURJKSA-N 1 0 312.369 3.386 20 5 DGBDRO Cc1csc(CCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC001340597613 1095985062 /nfs/dbraw/zinc/98/50/62/1095985062.db2.gz OBHNCYWLMPBHHH-NSHDSACASA-N 1 0 320.418 3.225 20 5 DGBDRO O=c1[nH]ccc(Nc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC001118516688 1096027070 /nfs/dbraw/zinc/02/70/70/1096027070.db2.gz JPFVHVJAYOTAQK-UHFFFAOYSA-N 1 0 314.345 3.035 20 5 DGBDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001171286872 1096113542 /nfs/dbraw/zinc/11/35/42/1096113542.db2.gz LXRNMMLSUNHXGK-KBPBESRZSA-N 1 0 322.405 3.397 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+]C/C=C/C2CC2)cc1Br ZINC001119246273 1096144112 /nfs/dbraw/zinc/14/41/12/1096144112.db2.gz ZWIJFKPRWWZCSE-OWOJBTEDSA-N 1 0 317.208 3.475 20 5 DGBDRO C[C@H](C[N+](C)(C)C)OCc1ccc([N+](=O)[O-])c2ccccc12 ZINC001224206016 1096162849 /nfs/dbraw/zinc/16/28/49/1096162849.db2.gz RLGAKFYKHASQBQ-CYBMUJFWSA-N 1 0 303.382 3.359 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001225712298 1096512064 /nfs/dbraw/zinc/51/20/64/1096512064.db2.gz FBGGCODPMNBIQN-QHBPRCKVSA-N 1 0 310.781 3.357 20 5 DGBDRO C[NH+](C)C1CCC(Oc2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC001225778889 1096528036 /nfs/dbraw/zinc/52/80/36/1096528036.db2.gz KWAKVRDUJZURDM-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225918726 1096564510 /nfs/dbraw/zinc/56/45/10/1096564510.db2.gz LQEAJKKAFPIMRP-JTQLQIEISA-N 1 0 304.268 3.087 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001226257466 1096647371 /nfs/dbraw/zinc/64/73/71/1096647371.db2.gz FJQJIBHNUAVUKX-UHFFFAOYSA-N 1 0 313.785 3.285 20 5 DGBDRO CC(=O)c1ccc(O[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226291506 1096654597 /nfs/dbraw/zinc/65/45/97/1096654597.db2.gz DRDPXZAXXAPABM-AWEZNQCLSA-N 1 0 306.362 3.049 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226301650 1096656370 /nfs/dbraw/zinc/65/63/70/1096656370.db2.gz NIWSTUPJXZXDGV-JTQLQIEISA-N 1 0 304.268 3.087 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001226311759 1096659613 /nfs/dbraw/zinc/65/96/13/1096659613.db2.gz VNXNVZMCENACTM-NSHDSACASA-N 1 0 318.295 3.477 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226311769 1096659705 /nfs/dbraw/zinc/65/97/05/1096659705.db2.gz WEEWKOLILBHDIK-LLVKDONJSA-N 1 0 318.295 3.475 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc([N+](=O)[O-])cc1Cl ZINC001226761566 1096770112 /nfs/dbraw/zinc/77/01/12/1096770112.db2.gz WZWKKPNAKQMIRA-QHBPRCKVSA-N 1 0 310.781 3.357 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001227125368 1096874507 /nfs/dbraw/zinc/87/45/07/1096874507.db2.gz DVTGZFZKUZIMQI-QMMMGPOBSA-N 1 0 308.185 3.375 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC001171607388 1096933929 /nfs/dbraw/zinc/93/39/29/1096933929.db2.gz HGDPMOFWVVHOFK-HNNXBMFYSA-N 1 0 322.405 3.359 20 5 DGBDRO CC(=O)c1cccc(Br)c1O[C@H](C)C[N+](C)(C)C ZINC001227971946 1097022900 /nfs/dbraw/zinc/02/29/00/1097022900.db2.gz ZTQKFAMNCMUFMY-SNVBAGLBSA-N 1 0 315.231 3.125 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001228139356 1097060402 /nfs/dbraw/zinc/06/04/02/1097060402.db2.gz REIMGBREYDQALK-JOCQHMNTSA-N 1 0 315.373 3.395 20 5 DGBDRO CN1CCC[C@@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001228198531 1097072045 /nfs/dbraw/zinc/07/20/45/1097072045.db2.gz LHNGRILMLGERBT-SECBINFHSA-N 1 0 305.161 3.375 20 5 DGBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001228450170 1097123580 /nfs/dbraw/zinc/12/35/80/1097123580.db2.gz IBONWFFNGVMSOC-AWEZNQCLSA-N 1 0 320.389 3.357 20 5 DGBDRO Cc1cc2[nH]c(O[C@H]3CC[C@H]([NH+](C)C)CC3)nc2cc1[N+](=O)[O-] ZINC001228674622 1097164562 /nfs/dbraw/zinc/16/45/62/1097164562.db2.gz KFSDFDCDEGIJTH-HAQNSBGRSA-N 1 0 318.377 3.031 20 5 DGBDRO CC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001228969839 1097228986 /nfs/dbraw/zinc/22/89/86/1097228986.db2.gz BQIQGGODYNACIW-ZDUSSCGKSA-N 1 0 306.362 3.049 20 5 DGBDRO C[NH+](C)C1CCC(Oc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001229007419 1097236254 /nfs/dbraw/zinc/23/62/54/1097236254.db2.gz IFKKADLPMREJAY-UHFFFAOYSA-N 1 0 315.373 3.395 20 5 DGBDRO COC[C@H]1CCCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906259 1097269263 /nfs/dbraw/zinc/26/92/63/1097269263.db2.gz WRXQHCUKNNJCLY-FUHWJXTLSA-N 1 0 318.417 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cscn1)CC2 ZINC001172895652 1097278229 /nfs/dbraw/zinc/27/82/29/1097278229.db2.gz GWNXFUMWNLAJHM-ZDUSSCGKSA-N 1 0 303.387 3.089 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ncccc1F)CC2 ZINC001172896407 1097278409 /nfs/dbraw/zinc/27/84/09/1097278409.db2.gz OYZKJAIAMTZVMA-CQSZACIVSA-N 1 0 315.348 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1cccnc1)CC2 ZINC001172895625 1097278511 /nfs/dbraw/zinc/27/85/11/1097278511.db2.gz GQDYUQZBYLFGHS-KRWDZBQOSA-N 1 0 311.385 3.070 20 5 DGBDRO CCCCOC1C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172916883 1097279264 /nfs/dbraw/zinc/27/92/64/1097279264.db2.gz UJZHMEHKXGHNFQ-MRXNPFEDSA-N 1 0 318.417 3.343 20 5 DGBDRO CC1(C)C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCO1 ZINC001172914803 1097279345 /nfs/dbraw/zinc/27/93/45/1097279345.db2.gz JBLORMOGIRHWEK-INIZCTEOSA-N 1 0 318.417 3.343 20 5 DGBDRO CC(=O)C1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172914232 1097279401 /nfs/dbraw/zinc/27/94/01/1097279401.db2.gz FGYVXCXFPNECMN-KRWDZBQOSA-N 1 0 316.401 3.143 20 5 DGBDRO CC[C@@]12C[C@@H](CO1)[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172918851 1097280072 /nfs/dbraw/zinc/28/00/72/1097280072.db2.gz CRCUYXFULZECET-SZMVWBNQSA-N 1 0 316.401 3.096 20 5 DGBDRO CC/C=C/[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009272 1097306522 /nfs/dbraw/zinc/30/65/22/1097306522.db2.gz MQLBBFNXJHHRIK-ZZXKWVIFSA-N 1 0 311.332 3.355 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2C[C@H]2C2CC2)c1F ZINC001173186361 1097357731 /nfs/dbraw/zinc/35/77/31/1097357731.db2.gz RLZDCQNPDVZGNN-XHVZSJERSA-N 1 0 308.353 3.062 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN(C)c1ccccc1 ZINC001173215199 1097367145 /nfs/dbraw/zinc/36/71/45/1097367145.db2.gz UIKCYKZSTZQAKA-HNNXBMFYSA-N 1 0 313.401 3.252 20 5 DGBDRO COc1cccc(F)c1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215353 1097367509 /nfs/dbraw/zinc/36/75/09/1097367509.db2.gz VIMXSFCNGPSXTE-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC(C)(C)N(O)C1(C)C ZINC001173216509 1097367667 /nfs/dbraw/zinc/36/76/67/1097367667.db2.gz CCZJULOZCUSCBA-SWLSCSKDSA-N 1 0 321.421 3.136 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COc2ccccc2C1 ZINC001173217581 1097368356 /nfs/dbraw/zinc/36/83/56/1097368356.db2.gz WEZCTGRESHDREP-XJKSGUPXSA-N 1 0 312.369 3.119 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@](C)(CO)c1ccccc1 ZINC001173219492 1097370423 /nfs/dbraw/zinc/37/04/23/1097370423.db2.gz CIZBYWVUJWEOQW-KSSFIOAISA-N 1 0 314.385 3.023 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc2ccc(C[NH3+])cc2n1 ZINC001173220296 1097371025 /nfs/dbraw/zinc/37/10/25/1097371025.db2.gz XMYXFMCIXFOUPH-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](C)(CO)CC1 ZINC001173222758 1097373306 /nfs/dbraw/zinc/37/33/06/1097373306.db2.gz VIHSPUJOALMLFV-RHSMWYFYSA-N 1 0 306.406 3.010 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CCO)Cc1ccccc1 ZINC001173226468 1097374534 /nfs/dbraw/zinc/37/45/34/1097374534.db2.gz LXEREXDFRBEDBG-OAHLLOKOSA-N 1 0 314.385 3.020 20 5 DGBDRO CC[NH+](CC)C1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225534 1097374556 /nfs/dbraw/zinc/37/45/56/1097374556.db2.gz DMWHHPVCEMTRIN-HNNXBMFYSA-N 1 0 319.449 3.332 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001173228966 1097376182 /nfs/dbraw/zinc/37/61/82/1097376182.db2.gz OQRAQDGRXOXIIW-UNEWFSDZSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2nccnc12 ZINC001173228928 1097376337 /nfs/dbraw/zinc/37/63/37/1097376337.db2.gz LJAWGAZBGDDBSG-CYBMUJFWSA-N 1 0 322.368 3.259 20 5 DGBDRO CC[N@H+](CCN1CCCCC1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231348 1097377613 /nfs/dbraw/zinc/37/76/13/1097377613.db2.gz BQGGQFRNLOPQBD-MRXNPFEDSA-N 1 0 319.449 3.334 20 5 DGBDRO Cc1ccc2ncc(C[NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)n2c1 ZINC001173211637 1097381401 /nfs/dbraw/zinc/38/14/01/1097381401.db2.gz UOGMAYSHSIDDDV-AWEZNQCLSA-N 1 0 324.384 3.272 20 5 DGBDRO CCOC(CCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)OCC ZINC001173210526 1097381513 /nfs/dbraw/zinc/38/15/13/1097381513.db2.gz LOKRNYDQMBPDPU-AWEZNQCLSA-N 1 0 324.421 3.295 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])c1cc(F)cc(F)c1 ZINC001173213205 1097381786 /nfs/dbraw/zinc/38/17/86/1097381786.db2.gz GNJMXFZQOUYUCB-SNVBAGLBSA-N 1 0 319.311 3.419 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001229830336 1097395144 /nfs/dbraw/zinc/39/51/44/1097395144.db2.gz ANMOYUZPGINAGX-VIFPVBQESA-N 1 0 307.292 3.087 20 5 DGBDRO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230041749 1097434913 /nfs/dbraw/zinc/43/49/13/1097434913.db2.gz RNWBTDLVYJRJNG-QMMMGPOBSA-N 1 0 305.161 3.375 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Br)cc2ncccc21 ZINC001230193513 1097456131 /nfs/dbraw/zinc/45/61/31/1097456131.db2.gz LLVKYDDHILCFHB-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Br)cc2ncccc21 ZINC001230193512 1097456351 /nfs/dbraw/zinc/45/63/51/1097456351.db2.gz LLVKYDDHILCFHB-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1cnc2c(cccc2[N+](=O)[O-])c1 ZINC001231159263 1097685048 /nfs/dbraw/zinc/68/50/48/1097685048.db2.gz URCMXQXTLONWCH-LBPRGKRZSA-N 1 0 303.362 3.252 20 5 DGBDRO Cc1c[nH+]ccc1Nc1cc2nc3ccccc3nc2cc1N ZINC001174539608 1097748442 /nfs/dbraw/zinc/74/84/42/1097748442.db2.gz MVBMBRVYICLHOM-UHFFFAOYSA-N 1 0 301.353 3.234 20 5 DGBDRO C[NH+](C)C1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219202 1097971987 /nfs/dbraw/zinc/97/19/87/1097971987.db2.gz NPCGQSCGIIYIEU-UHFFFAOYSA-N 1 0 320.440 3.309 20 5 DGBDRO CC[C@@H]1COCCN1Cc1ccc2ccc3cccnc3c2n1 ZINC001232223952 1097973451 /nfs/dbraw/zinc/97/34/51/1097973451.db2.gz WOZIOWYMFLEUGM-QGZVFWFLSA-N 1 0 307.397 3.394 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(CO)CCCCCCC2)cc1 ZINC001175503510 1098074235 /nfs/dbraw/zinc/07/42/35/1098074235.db2.gz NPDNDLBKSAOVQV-UHFFFAOYSA-N 1 0 322.405 3.039 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2cccc(Br)c2cn1 ZINC001233513746 1098358699 /nfs/dbraw/zinc/35/86/99/1098358699.db2.gz JXDIIEJXIYTQBM-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233770866 1098428381 /nfs/dbraw/zinc/42/83/81/1098428381.db2.gz RJKKVAQAXCJXGO-SNVBAGLBSA-N 1 0 300.305 3.125 20 5 DGBDRO C[NH+](C)C1CCC(Oc2c3cccnc3ccc2[N+](=O)[O-])CC1 ZINC001233778627 1098429697 /nfs/dbraw/zinc/42/96/97/1098429697.db2.gz KWMWTOSXTDXHIG-UHFFFAOYSA-N 1 0 315.373 3.395 20 5 DGBDRO CCCC(=O)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177759310 1098602219 /nfs/dbraw/zinc/60/22/19/1098602219.db2.gz QVSARFQMNSVOPN-UHFFFAOYSA-N 1 0 321.421 3.161 20 5 DGBDRO Cc1c(C[NH2+]CCN2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC001178581070 1098865448 /nfs/dbraw/zinc/86/54/48/1098865448.db2.gz DCPVHNGBTWMTJX-UHFFFAOYSA-N 1 0 305.422 3.115 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cccc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC001179686390 1099163039 /nfs/dbraw/zinc/16/30/39/1099163039.db2.gz XKTFFCBWYNDDLT-LBPRGKRZSA-N 1 0 310.357 3.364 20 5 DGBDRO CCC1(CC)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001191539169 1100480832 /nfs/dbraw/zinc/48/08/32/1100480832.db2.gz DRSHEBIPZRGLKP-ZDUSSCGKSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193251016 1100721647 /nfs/dbraw/zinc/72/16/47/1100721647.db2.gz SYXPGMGODIFBBJ-ZBFHGGJFSA-N 1 0 317.433 3.337 20 5 DGBDRO CCC[C@]1(COC)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001193871960 1100832948 /nfs/dbraw/zinc/83/29/48/1100832948.db2.gz LYLBJYXRYLONLT-QGZVFWFLSA-N 1 0 322.405 3.255 20 5 DGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001194194391 1100890744 /nfs/dbraw/zinc/89/07/44/1100890744.db2.gz ZZAWVKWISUJQDT-SWLSCSKDSA-N 1 0 310.419 3.237 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC001195316304 1101121697 /nfs/dbraw/zinc/12/16/97/1101121697.db2.gz ZPRHLJRTVXSYCJ-HNNXBMFYSA-N 1 0 322.430 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCSC[C@@H]2C2CC2)c(F)c1 ZINC001198271107 1101813910 /nfs/dbraw/zinc/81/39/10/1101813910.db2.gz UFBOJUSPSWRROW-OAHLLOKOSA-N 1 0 310.394 3.451 20 5 DGBDRO Cc1ccc(CNCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC001201930197 1102753869 /nfs/dbraw/zinc/75/38/69/1102753869.db2.gz WESFLSYCIPKODI-UHFFFAOYSA-N 1 0 305.422 3.115 20 5 DGBDRO CC(C)(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001326056026 1103196367 /nfs/dbraw/zinc/19/63/67/1103196367.db2.gz KFNCBJJBVYSUFW-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001327572112 1103684597 /nfs/dbraw/zinc/68/45/97/1103684597.db2.gz GVWHAOQOTNVGDZ-OAHLLOKOSA-N 1 0 312.797 3.089 20 5 DGBDRO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc(-c2ccc([N+](=O)[O-])o2)o1 ZINC001328390355 1103930098 /nfs/dbraw/zinc/93/00/98/1103930098.db2.gz IUSBRVBDUSJJIV-NSHDSACASA-N 1 0 320.349 3.073 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@@H](CCF)C2)c2cc([N+](=O)[O-])ccc12 ZINC001330665897 1104611211 /nfs/dbraw/zinc/61/12/11/1104611211.db2.gz OINOZBAMMSFPJM-ZDUSSCGKSA-N 1 0 320.368 3.282 20 5 DGBDRO C[N@H+](Cc1c2ccccc2cc2ccccc21)[C@@H]1CNC(=O)C1 ZINC001246856661 1104710132 /nfs/dbraw/zinc/71/01/32/1104710132.db2.gz CSARTZBRKREQHZ-INIZCTEOSA-N 1 0 304.393 3.313 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001246990731 1104765895 /nfs/dbraw/zinc/76/58/95/1104765895.db2.gz XWRXGJFZZVOYRL-KBXCAEBGSA-N 1 0 317.433 3.132 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1-c1nc2ccccc2n1[C@H]1CC[NH2+]C1 ZINC001247052673 1104787188 /nfs/dbraw/zinc/78/71/88/1104787188.db2.gz ORVHZJAUDLGUDL-ZDUSSCGKSA-N 1 0 322.368 3.454 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4CCC[NH2+]4)n3)nc12 ZINC001247497228 1104912824 /nfs/dbraw/zinc/91/28/24/1104912824.db2.gz VQSRZBGUUUGGLZ-AWEZNQCLSA-N 1 0 317.352 3.258 20 5 DGBDRO COc1ccc(Nc2ccc(C[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC001248474428 1105117455 /nfs/dbraw/zinc/11/74/55/1105117455.db2.gz CTVVZXHGCXARMH-UHFFFAOYSA-N 1 0 301.346 3.409 20 5 DGBDRO C[C@]1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC[NH2+]1 ZINC001248725784 1105151783 /nfs/dbraw/zinc/15/17/83/1105151783.db2.gz PFCOUDMZPUVXOJ-GOSISDBHSA-N 1 0 317.352 3.042 20 5 DGBDRO Cc1[nH+]c2ccc(F)cn2c1Nc1cc([N+](=O)[O-])cnc1C ZINC001249545965 1105308926 /nfs/dbraw/zinc/30/89/26/1105308926.db2.gz YOBGTGZSVFGMLE-UHFFFAOYSA-N 1 0 301.281 3.137 20 5 DGBDRO C[NH+](C)Cc1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3F)nc2c1 ZINC001250852613 1105594090 /nfs/dbraw/zinc/59/40/90/1105594090.db2.gz CTRZFAIWFXGIFS-UHFFFAOYSA-N 1 0 314.320 3.339 20 5 DGBDRO CS[C@@H]1CC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001252286085 1105762436 /nfs/dbraw/zinc/76/24/36/1105762436.db2.gz BYIBKMSXFNKEEK-QWHCGFSZSA-N 1 0 310.419 3.190 20 5 DGBDRO C[Si](C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254468298 1106077284 /nfs/dbraw/zinc/07/72/84/1106077284.db2.gz KKTHAKYIFIXECO-UHFFFAOYSA-N 1 0 307.470 3.031 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1c2ccccc2nc1C[NH3+] ZINC001254531257 1106096814 /nfs/dbraw/zinc/09/68/14/1106096814.db2.gz CRBDQHIQMGMNHZ-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001254538215 1106098067 /nfs/dbraw/zinc/09/80/67/1106098067.db2.gz RPGYLXHBYJWUPH-LLVKDONJSA-N 1 0 316.336 3.065 20 5 DGBDRO CCOC(=O)CCCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539974 1106098837 /nfs/dbraw/zinc/09/88/37/1106098837.db2.gz NPRIDPJVDTXMBV-CQSZACIVSA-N 1 0 322.405 3.239 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cc(CC[NH3+])c2ncccc21 ZINC001254539686 1106098887 /nfs/dbraw/zinc/09/88/87/1106098887.db2.gz JIBYIIDCAIFQAK-ZDUSSCGKSA-N 1 0 324.384 3.249 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001254547614 1106100485 /nfs/dbraw/zinc/10/04/85/1106100485.db2.gz JOHNESYAACAXMI-DZUCGIPZSA-N 1 0 317.433 3.131 20 5 DGBDRO CCOc1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254545816 1106100647 /nfs/dbraw/zinc/10/06/47/1106100647.db2.gz PSNAMGGQMYYDQA-ZDUSSCGKSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(O)cc1F ZINC001254549434 1106101152 /nfs/dbraw/zinc/10/11/52/1106101152.db2.gz VONPPLUZQUXPRQ-LLVKDONJSA-N 1 0 304.321 3.160 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2nccnc12 ZINC001254550010 1106101485 /nfs/dbraw/zinc/10/14/85/1106101485.db2.gz ZBFMXOGBIPJZOP-ZDUSSCGKSA-N 1 0 322.368 3.259 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2ccccc2C1=O ZINC001254549022 1106101609 /nfs/dbraw/zinc/10/16/09/1106101609.db2.gz PRILUWGJLBWQLD-CXAGYDPISA-N 1 0 324.380 3.313 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001254562617 1106104122 /nfs/dbraw/zinc/10/41/22/1106104122.db2.gz ODXAFRCICYBSHR-RHSMWYFYSA-N 1 0 311.385 3.410 20 5 DGBDRO CC[NH+](CC)C1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563474 1106104130 /nfs/dbraw/zinc/10/41/30/1106104130.db2.gz WXIWTSNCYMNWSP-HNNXBMFYSA-N 1 0 319.449 3.332 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001254563655 1106104215 /nfs/dbraw/zinc/10/42/15/1106104215.db2.gz AIRFCYVKXVRPHU-YPMHNXCESA-N 1 0 310.394 3.055 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001254560110 1106104447 /nfs/dbraw/zinc/10/44/47/1106104447.db2.gz PEVSUSLSECXMDO-HIFRSBDPSA-N 1 0 314.389 3.062 20 5 DGBDRO [NH3+]CCc1cn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc12 ZINC001254565294 1106105373 /nfs/dbraw/zinc/10/53/73/1106105373.db2.gz DATBFBZQCKGARL-KRWDZBQOSA-N 1 0 321.380 3.391 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC001254572042 1106106822 /nfs/dbraw/zinc/10/68/22/1106106822.db2.gz GVQAGSMPINFRTP-HNNXBMFYSA-N 1 0 300.333 3.299 20 5 DGBDRO COC1CCC(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254583569 1106108611 /nfs/dbraw/zinc/10/86/11/1106108611.db2.gz ZPSHXJGMOVNMLB-MNQCNDSGSA-N 1 0 318.417 3.247 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1nccc3ccccc31)C2 ZINC001254585409 1106108989 /nfs/dbraw/zinc/10/89/89/1106108989.db2.gz WURPQJJPAKCXIZ-MRXNPFEDSA-N 1 0 319.364 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1Cc3ccccc3C1)C2 ZINC001254586957 1106109002 /nfs/dbraw/zinc/10/90/02/1106109002.db2.gz ULJPVMLHOLSGLY-SFHVURJKSA-N 1 0 308.381 3.067 20 5 DGBDRO Cc1ccc(C2(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)nc1 ZINC001254585737 1106109111 /nfs/dbraw/zinc/10/91/11/1106109111.db2.gz FMFMJWUDWPFXOB-MRXNPFEDSA-N 1 0 323.396 3.087 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(CC3CC3)CCOCC1)C2 ZINC001254588430 1106109252 /nfs/dbraw/zinc/10/92/52/1106109252.db2.gz YEAQDFZHUHNARD-MRXNPFEDSA-N 1 0 316.401 3.001 20 5 DGBDRO Cc1csc([C@@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254585330 1106109255 /nfs/dbraw/zinc/10/92/55/1106109255.db2.gz VKFSVVLLMAWHEK-ZWNOBZJWSA-N 1 0 303.387 3.178 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3CC(F)(F)C[C@@H]3C1)C2 ZINC001254593968 1106110000 /nfs/dbraw/zinc/11/00/00/1106110000.db2.gz OLIZCBKGDXXTHZ-VNHYZAJKSA-N 1 0 308.328 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCc3c1cccc3O)C2 ZINC001254589781 1106110076 /nfs/dbraw/zinc/11/00/76/1106110076.db2.gz RAVLVCRTKGISSO-CXAGYDPISA-N 1 0 310.353 3.045 20 5 DGBDRO C[N@H+](Cc1ccccc1F)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598643 1106110578 /nfs/dbraw/zinc/11/05/78/1106110578.db2.gz IUVGYRCHDMBKIZ-INIZCTEOSA-N 1 0 300.333 3.333 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](Oc3ccccc3)C1)C2 ZINC001254600352 1106110622 /nfs/dbraw/zinc/11/06/22/1106110622.db2.gz PCRDERPFPFLKNI-IEBWSBKVSA-N 1 0 324.380 3.215 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H](Oc3ccccc3)C1)C2 ZINC001254600351 1106110743 /nfs/dbraw/zinc/11/07/43/1106110743.db2.gz PCRDERPFPFLKNI-HKUYNNGSSA-N 1 0 324.380 3.215 20 5 DGBDRO Cc1cccc2c1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599674 1106110911 /nfs/dbraw/zinc/11/09/11/1106110911.db2.gz OHNSFOAMOXYKIN-SFHVURJKSA-N 1 0 308.381 3.429 20 5 DGBDRO COc1ccc2c(c1)C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254602283 1106111643 /nfs/dbraw/zinc/11/16/43/1106111643.db2.gz CMJBNJYVMMGFOX-QGZVFWFLSA-N 1 0 310.353 3.086 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001254600934 1106111754 /nfs/dbraw/zinc/11/17/54/1106111754.db2.gz SLYKOYBLSGMRIW-OCCSQVGLSA-N 1 0 314.307 3.336 20 5 DGBDRO CCC(CC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256083057 1106367202 /nfs/dbraw/zinc/36/72/02/1106367202.db2.gz PMRCCYZLMCURJB-UHFFFAOYSA-N 1 0 321.421 3.350 20 5 DGBDRO CCC(C)(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256081673 1106367665 /nfs/dbraw/zinc/36/76/65/1106367665.db2.gz CGENLPLLUXQMAT-UHFFFAOYSA-N 1 0 321.421 3.350 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cnn1C ZINC001261853036 1107548649 /nfs/dbraw/zinc/54/86/49/1107548649.db2.gz VVMXXCKKZMLJCX-MNOVXSKESA-N 1 0 320.368 3.058 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC001262567937 1107726163 /nfs/dbraw/zinc/72/61/63/1107726163.db2.gz IGSNRRAYZYKVSQ-KBAYOESNSA-N 1 0 312.369 3.022 20 5 DGBDRO Cc1ccc(OC(=O)c2ccc3c[nH+]cn3c2C)cc1[N+](=O)[O-] ZINC001263380210 1108031152 /nfs/dbraw/zinc/03/11/52/1108031152.db2.gz KHIRPUBDXIPAQS-UHFFFAOYSA-N 1 0 311.297 3.079 20 5 DGBDRO CCCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001319327145 1108414457 /nfs/dbraw/zinc/41/44/57/1108414457.db2.gz UFNAWWXERBDWIG-UHFFFAOYSA-N 1 0 319.405 3.436 20 5 DGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCC2)o1 ZINC001290160802 1110236874 /nfs/dbraw/zinc/23/68/74/1110236874.db2.gz BWTJPZMEGIYQGW-UHFFFAOYSA-N 1 0 315.329 3.036 20 5 DGBDRO CC(C)Oc1nc(N[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001306928624 1111251222 /nfs/dbraw/zinc/25/12/22/1111251222.db2.gz TYZXQZPSGKGKMV-ZDUSSCGKSA-N 1 0 322.409 3.063 20 5 DGBDRO CCCC[N@H+](C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001306962423 1111255472 /nfs/dbraw/zinc/25/54/72/1111255472.db2.gz FBMBNAYEGABYCN-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001306981802 1111257549 /nfs/dbraw/zinc/25/75/49/1111257549.db2.gz JJAKUUGVAMSROH-CYBMUJFWSA-N 1 0 307.369 3.410 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001307562893 1111314686 /nfs/dbraw/zinc/31/46/86/1111314686.db2.gz HZOCECXLTPJLTO-UONOGXRCSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC001307603816 1111318931 /nfs/dbraw/zinc/31/89/31/1111318931.db2.gz PXCLJRLTXGGVJM-XYPHTWIQSA-N 1 0 304.390 3.484 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001307622171 1111320962 /nfs/dbraw/zinc/32/09/62/1111320962.db2.gz MWEYHKPPFANACW-DUVNUKRYSA-N 1 0 320.389 3.225 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC001307743279 1111333415 /nfs/dbraw/zinc/33/34/15/1111333415.db2.gz DAECFWJYFBTQGP-HZPDHXFCSA-N 1 0 322.405 3.157 20 5 DGBDRO CCCN(CC[NH+]1CCCCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001307764216 1111336807 /nfs/dbraw/zinc/33/68/07/1111336807.db2.gz XIMARQHSDOHCLZ-UHFFFAOYSA-N 1 0 323.412 3.432 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001307854822 1111347173 /nfs/dbraw/zinc/34/71/73/1111347173.db2.gz XAQWWPVRLQWGDZ-KBPBESRZSA-N 1 0 308.426 3.246 20 5 DGBDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307908523 1111354283 /nfs/dbraw/zinc/35/42/83/1111354283.db2.gz QMQFDEWZDDLTRF-ZBFHGGJFSA-N 1 0 322.405 3.253 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC001307937070 1111358376 /nfs/dbraw/zinc/35/83/76/1111358376.db2.gz IXZKGYHRAAVRGO-CHWSQXEVSA-N 1 0 320.389 3.392 20 5 DGBDRO COCC1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001307960150 1111359993 /nfs/dbraw/zinc/35/99/93/1111359993.db2.gz ZREKONROCXNVHN-UHFFFAOYSA-N 1 0 322.405 3.303 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)N1CCC[C@H](C)C1 ZINC001308200031 1111396160 /nfs/dbraw/zinc/39/61/60/1111396160.db2.gz RVKGOXVXXMWGKL-DZGCQCFKSA-N 1 0 319.449 3.422 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)N1CCC[C@@H](C)C1 ZINC001308200033 1111396604 /nfs/dbraw/zinc/39/66/04/1111396604.db2.gz RVKGOXVXXMWGKL-HIFRSBDPSA-N 1 0 319.449 3.422 20 5 DGBDRO Cc1cccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1F ZINC001308246782 1111403988 /nfs/dbraw/zinc/40/39/88/1111403988.db2.gz FWYFYAXAADSVGT-UHFFFAOYSA-N 1 0 304.321 3.211 20 5 DGBDRO Cc1ccc(C[NH2+]CCCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001308261643 1111407172 /nfs/dbraw/zinc/40/71/72/1111407172.db2.gz RZHNRNOXUZHNOE-UHFFFAOYSA-N 1 0 300.358 3.331 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2nccnc2c1)c1ccccc1[N+](=O)[O-] ZINC001308509583 1111436047 /nfs/dbraw/zinc/43/60/47/1111436047.db2.gz RKMNZDKKCHAFPK-LBPRGKRZSA-N 1 0 308.341 3.389 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001308519053 1111437893 /nfs/dbraw/zinc/43/78/93/1111437893.db2.gz LZYAIVSYBWMDRJ-GFCCVEGCSA-N 1 0 323.356 3.231 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001308543612 1111440911 /nfs/dbraw/zinc/44/09/11/1111440911.db2.gz MYQYIXXVAFTLGH-HNNXBMFYSA-N 1 0 305.422 3.292 20 5 DGBDRO CCC(CC)[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC001308611448 1111451184 /nfs/dbraw/zinc/45/11/84/1111451184.db2.gz IDTBDHVPDDJPPY-UHFFFAOYSA-N 1 0 308.378 3.462 20 5 DGBDRO COCC1(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC001308641562 1111455160 /nfs/dbraw/zinc/45/51/60/1111455160.db2.gz HLNGNCVNKBCHMP-UHFFFAOYSA-N 1 0 312.797 3.197 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CC=CC1 ZINC001308933290 1111495978 /nfs/dbraw/zinc/49/59/78/1111495978.db2.gz DGZAWRWDZZQEBG-ZDUSSCGKSA-N 1 0 317.389 3.258 20 5 DGBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)ccc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000286559580 219054032 /nfs/dbraw/zinc/05/40/32/219054032.db2.gz PAPPDEPXGPMKMN-VSGLDEAGSA-N 1 0 322.792 3.103 20 5 DGBDRO C[C@@H]1[C@@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000309927018 231108423 /nfs/dbraw/zinc/10/84/23/231108423.db2.gz XQALUTNZAQIOQO-HIFRSBDPSA-N 1 0 312.373 3.065 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000317733366 231164425 /nfs/dbraw/zinc/16/44/25/231164425.db2.gz ROOXVVUISKUKLG-NWDGAFQWSA-N 1 0 300.362 3.038 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000318512326 231171618 /nfs/dbraw/zinc/17/16/18/231171618.db2.gz YHJZKVSZDFBIDP-LZWOXQAQSA-N 1 0 324.808 3.374 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](O)C(C)C ZINC000414286174 529670759 /nfs/dbraw/zinc/67/07/59/529670759.db2.gz CKRCWUJNOHWJOE-YESZJQIVSA-N 1 0 306.406 3.357 20 5 DGBDRO Cc1cc(NCCCn2ccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272831897 210231567 /nfs/dbraw/zinc/23/15/67/210231567.db2.gz LAYKZYAYMGCDGA-UHFFFAOYSA-N 1 0 311.345 3.150 20 5 DGBDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000090528882 185300772 /nfs/dbraw/zinc/30/07/72/185300772.db2.gz GXUGIYIDQANVAK-AAEUAGOBSA-N 1 0 302.378 3.217 20 5 DGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC000090538602 185301533 /nfs/dbraw/zinc/30/15/33/185301533.db2.gz IQUVQQKTBCSBDL-ZDUSSCGKSA-N 1 0 314.389 3.021 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000181427846 199295437 /nfs/dbraw/zinc/29/54/37/199295437.db2.gz LSGGKXQQZHEXIV-MEDUHNTESA-N 1 0 302.378 3.298 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000181427864 199295898 /nfs/dbraw/zinc/29/58/98/199295898.db2.gz LSGGKXQQZHEXIV-BZNIZROVSA-N 1 0 302.378 3.298 20 5 DGBDRO CCc1nc(C)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000428939622 529721643 /nfs/dbraw/zinc/72/16/43/529721643.db2.gz NFRRPQGGPFRNEJ-UHFFFAOYSA-N 1 0 303.362 3.128 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000181554241 199316957 /nfs/dbraw/zinc/31/69/57/199316957.db2.gz SACGPUOBXWQJFS-GFCCVEGCSA-N 1 0 302.330 3.030 20 5 DGBDRO C[N@H+](CCNc1ccc2ncccc2c1[N+](=O)[O-])C1CCCC1 ZINC000321395073 529918249 /nfs/dbraw/zinc/91/82/49/529918249.db2.gz PCMSOBYZXSNIAH-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c2cccnc12)C1CCCC1 ZINC000301191653 529918288 /nfs/dbraw/zinc/91/82/88/529918288.db2.gz LZFQIHBNLZNBAG-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130307492 432020614 /nfs/dbraw/zinc/02/06/14/432020614.db2.gz QGJXYQFLICQJAN-OAHLLOKOSA-N 1 0 303.406 3.044 20 5 DGBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279818884 215172095 /nfs/dbraw/zinc/17/20/95/215172095.db2.gz QIZAQWPDDDJZOW-YPMHNXCESA-N 1 0 312.797 3.374 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H](CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000130354029 432022255 /nfs/dbraw/zinc/02/22/55/432022255.db2.gz WXVQTBUYIFZXRW-HOCLYGCPSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000150322618 186056517 /nfs/dbraw/zinc/05/65/17/186056517.db2.gz VLTFOUYHYNWVJM-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173339835 186178530 /nfs/dbraw/zinc/17/85/30/186178530.db2.gz LCCNGMXBORTICA-ZDUSSCGKSA-N 1 0 319.405 3.084 20 5 DGBDRO CC1(O)CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000179725176 186210915 /nfs/dbraw/zinc/21/09/15/186210915.db2.gz RFCGVIMFTRQJMR-UHFFFAOYSA-N 1 0 316.357 3.202 20 5 DGBDRO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000265156066 186342748 /nfs/dbraw/zinc/34/27/48/186342748.db2.gz PXMFSXAVTDOHBL-INIZCTEOSA-N 1 0 320.776 3.246 20 5 DGBDRO Cc1ccsc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331526587 233768375 /nfs/dbraw/zinc/76/83/75/233768375.db2.gz DJVABQCZTZDGQO-STQMWFEESA-N 1 0 320.418 3.435 20 5 DGBDRO CC[C@](C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000072682992 191214039 /nfs/dbraw/zinc/21/40/39/191214039.db2.gz KPQIHYMCSPUYAA-HNNXBMFYSA-N 1 0 321.402 3.345 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000072697450 191215327 /nfs/dbraw/zinc/21/53/27/191215327.db2.gz JDZYKEDQMQIWOV-OKILXGFUSA-N 1 0 319.405 3.495 20 5 DGBDRO C[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000072875543 191247064 /nfs/dbraw/zinc/24/70/64/191247064.db2.gz VRDWPPJOETVPFS-GFCCVEGCSA-N 1 0 301.346 3.277 20 5 DGBDRO CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000131882162 432041161 /nfs/dbraw/zinc/04/11/61/432041161.db2.gz GRJYBOOIRCZTHN-LBPRGKRZSA-N 1 0 323.393 3.052 20 5 DGBDRO Cc1csc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000080311680 192022883 /nfs/dbraw/zinc/02/28/83/192022883.db2.gz VFDCQMMEGRIQFA-LLVKDONJSA-N 1 0 307.375 3.089 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3ccsc3C2)c1 ZINC000132912779 432055250 /nfs/dbraw/zinc/05/52/50/432055250.db2.gz PCCMZPNFOWBUJI-UHFFFAOYSA-N 1 0 304.371 3.093 20 5 DGBDRO Cc1c([C@H](C)NCC[N@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000133252971 432058962 /nfs/dbraw/zinc/05/89/62/432058962.db2.gz YVRDYOJYBWKXFO-AWEZNQCLSA-N 1 0 305.422 3.428 20 5 DGBDRO CC(C)[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000276907002 213166971 /nfs/dbraw/zinc/16/69/71/213166971.db2.gz OFNYQENPPHNZFW-BBRMVZONSA-N 1 0 308.422 3.301 20 5 DGBDRO CCOc1cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000276846701 213129893 /nfs/dbraw/zinc/12/98/93/213129893.db2.gz CZEMLMMCMILKGV-SJORKVTESA-N 1 0 320.389 3.041 20 5 DGBDRO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180422698 199157900 /nfs/dbraw/zinc/15/79/00/199157900.db2.gz KPDVQJVDXZTTNL-KGLIPLIRSA-N 1 0 321.421 3.138 20 5 DGBDRO CC(C)[NH+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000180454075 199160941 /nfs/dbraw/zinc/16/09/41/199160941.db2.gz GWYZFOCUBCXOIT-UHFFFAOYSA-N 1 0 313.785 3.306 20 5 DGBDRO COCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179968644 432075994 /nfs/dbraw/zinc/07/59/94/432075994.db2.gz KLDPWYALZBYXOV-KRWDZBQOSA-N 1 0 300.358 3.310 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000185345274 199840502 /nfs/dbraw/zinc/84/05/02/199840502.db2.gz HYBUGOOOLKLBOE-UHFFFAOYSA-N 1 0 305.378 3.141 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415580370 237223524 /nfs/dbraw/zinc/22/35/24/237223524.db2.gz LXNJPUBZERPMCN-CYBMUJFWSA-N 1 0 322.409 3.049 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000187970924 200184753 /nfs/dbraw/zinc/18/47/53/200184753.db2.gz JWSGAIQGGJDRIG-CYBMUJFWSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCc3cccnc3CC2)cccc1[N+](=O)[O-] ZINC000421842636 237767908 /nfs/dbraw/zinc/76/79/08/237767908.db2.gz OEUJMJJXMPCRIS-MRXNPFEDSA-N 1 0 311.385 3.335 20 5 DGBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429566447 238055132 /nfs/dbraw/zinc/05/51/32/238055132.db2.gz KBARANWAAIHXLO-SMDDNHRTSA-N 1 0 316.361 3.265 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c(Cl)c1 ZINC000433809930 238169224 /nfs/dbraw/zinc/16/92/24/238169224.db2.gz XJJQEFGBUZVQHZ-NSHDSACASA-N 1 0 310.785 3.072 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000275789276 212536946 /nfs/dbraw/zinc/53/69/46/212536946.db2.gz WWTKGZUMZXGSMY-CYBMUJFWSA-N 1 0 321.421 3.128 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000193234064 201010886 /nfs/dbraw/zinc/01/08/86/201010886.db2.gz LTIIYRKXVUOIIY-NSHDSACASA-N 1 0 300.314 3.174 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCCC1 ZINC000194056923 201172031 /nfs/dbraw/zinc/17/20/31/201172031.db2.gz YZSIFEBXSNICCT-KBPBESRZSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C ZINC000194414968 201222506 /nfs/dbraw/zinc/22/25/06/201222506.db2.gz DCANBMXJMYKMDY-ZDUSSCGKSA-N 1 0 324.384 3.375 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000271862103 209277105 /nfs/dbraw/zinc/27/71/05/209277105.db2.gz KMZKUOOCBNSVBM-ZACQAIPSSA-N 1 0 316.401 3.075 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000271843121 209261779 /nfs/dbraw/zinc/26/17/79/209261779.db2.gz ZUKCMELBSXPEAF-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000271825563 209246856 /nfs/dbraw/zinc/24/68/56/209246856.db2.gz CZELQWYBXGJYRJ-CZUORRHYSA-N 1 0 306.406 3.351 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccco1)N(C)C ZINC000449063434 239998610 /nfs/dbraw/zinc/99/86/10/239998610.db2.gz MRFYYSKJZWBTEC-CZUORRHYSA-N 1 0 317.389 3.011 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC1CCCC1 ZINC000449107980 240022097 /nfs/dbraw/zinc/02/20/97/240022097.db2.gz RMOGLEATFVUIGY-CQSZACIVSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449129369 240030364 /nfs/dbraw/zinc/03/03/64/240030364.db2.gz BUWSIODBAHJVBA-KBPBESRZSA-N 1 0 314.385 3.452 20 5 DGBDRO Cc1nc(C)c(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449150196 240040984 /nfs/dbraw/zinc/04/09/84/240040984.db2.gz YZCKBYGXTDNFHZ-LLVKDONJSA-N 1 0 319.430 3.431 20 5 DGBDRO COCCC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449181248 240054593 /nfs/dbraw/zinc/05/45/93/240054593.db2.gz GCFBAJQOQPPNEX-CQSZACIVSA-N 1 0 306.406 3.322 20 5 DGBDRO CSc1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000449225582 240077371 /nfs/dbraw/zinc/07/73/71/240077371.db2.gz KUJSCSWFDJUGOT-LBPRGKRZSA-N 1 0 317.414 3.433 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000449277558 240104227 /nfs/dbraw/zinc/10/42/27/240104227.db2.gz GDBISJCTDMWRAU-KSSFIOAISA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1=CCCCC1 ZINC000449376420 240163148 /nfs/dbraw/zinc/16/31/48/240163148.db2.gz NHGYUMARKLLGSG-ZDUSSCGKSA-N 1 0 317.389 3.402 20 5 DGBDRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498486 240248847 /nfs/dbraw/zinc/24/88/47/240248847.db2.gz KSQWWMGSDAYKLY-HNNXBMFYSA-N 1 0 314.389 3.016 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000075969554 283829496 /nfs/dbraw/zinc/82/94/96/283829496.db2.gz MFWNRYYVNPONLP-UHFFFAOYSA-N 1 0 302.296 3.412 20 5 DGBDRO COc1ccc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449534211 240271268 /nfs/dbraw/zinc/27/12/68/240271268.db2.gz GIFOKSZJRLONCI-RHSMWYFYSA-N 1 0 302.374 3.224 20 5 DGBDRO COc1ccc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449534202 240272180 /nfs/dbraw/zinc/27/21/80/240272180.db2.gz GIFOKSZJRLONCI-PBHICJAKSA-N 1 0 302.374 3.224 20 5 DGBDRO CC[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000246195345 432105389 /nfs/dbraw/zinc/10/53/89/432105389.db2.gz IJGKRKSWKLOIMW-NEPJUHHUSA-N 1 0 316.361 3.438 20 5 DGBDRO CC(C)[N@H+](C)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000171138175 432106894 /nfs/dbraw/zinc/10/68/94/432106894.db2.gz VDHPJTZKYFHFRF-UHFFFAOYSA-N 1 0 321.424 3.458 20 5 DGBDRO C[C@H](c1ccncc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000091989040 193138647 /nfs/dbraw/zinc/13/86/47/193138647.db2.gz SDNZFEHKURQMGE-CYBMUJFWSA-N 1 0 301.346 3.062 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCCn3ccnc3)C2)cc1 ZINC000451545538 241167213 /nfs/dbraw/zinc/16/72/13/241167213.db2.gz HPXKXLADJFFLNP-MRXNPFEDSA-N 1 0 314.389 3.061 20 5 DGBDRO CCOc1cc(C[N@H+]2CC[C@@H](OCC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451548637 241169282 /nfs/dbraw/zinc/16/92/82/241169282.db2.gz VFTKKXPMJLOOCL-XJKSGUPXSA-N 1 0 322.405 3.240 20 5 DGBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451620240 241191630 /nfs/dbraw/zinc/19/16/30/241191630.db2.gz ZISPUHKDWMLRKU-SJORKVTESA-N 1 0 308.422 3.016 20 5 DGBDRO CCOc1cc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000451789600 241236311 /nfs/dbraw/zinc/23/63/11/241236311.db2.gz MNTFCVIHIYKXMK-CQSZACIVSA-N 1 0 324.421 3.222 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1[C@H](C)CCC1(C)C ZINC000452020455 241299351 /nfs/dbraw/zinc/29/93/51/241299351.db2.gz ZUXSOQSOZBUOEW-GFCCVEGCSA-N 1 0 305.378 3.105 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2OCC)ccc1[N+](=O)[O-] ZINC000452051154 241306374 /nfs/dbraw/zinc/30/63/74/241306374.db2.gz KYRDAXYPSDDMDQ-GDBMZVCRSA-N 1 0 322.405 3.431 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CC)COC1 ZINC000453370236 241748161 /nfs/dbraw/zinc/74/81/61/241748161.db2.gz NEZADHRFSLRYGI-CYBMUJFWSA-N 1 0 324.446 3.482 20 5 DGBDRO CCC[NH+]1CCC(N(C)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000092165482 193169750 /nfs/dbraw/zinc/16/97/50/193169750.db2.gz OQDAMZRYBPUNDB-UHFFFAOYSA-N 1 0 305.422 3.209 20 5 DGBDRO CC[C@H](c1ccncc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000092224475 193176578 /nfs/dbraw/zinc/17/65/78/193176578.db2.gz ZVRZUDIPJMNDNN-SJORKVTESA-N 1 0 315.373 3.106 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000249518442 202802665 /nfs/dbraw/zinc/80/26/65/202802665.db2.gz IMUUQEHMYFXGIA-AXAPSJFSSA-N 1 0 319.405 3.256 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C(C)C)C1CCCC1 ZINC000108365386 284060117 /nfs/dbraw/zinc/06/01/17/284060117.db2.gz IYKVDPNEOKVKEY-UHFFFAOYSA-N 1 0 319.405 3.495 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467833607 244007955 /nfs/dbraw/zinc/00/79/55/244007955.db2.gz AEWCPCIDSJMJKO-HOCLYGCPSA-N 1 0 314.385 3.097 20 5 DGBDRO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000114725354 284110593 /nfs/dbraw/zinc/11/05/93/284110593.db2.gz LXWAQUAPEFJQNO-UHFFFAOYSA-N 1 0 313.785 3.165 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468628401 244056157 /nfs/dbraw/zinc/05/61/57/244056157.db2.gz DZSGLCYUVYSMDT-GBLSNTLBSA-N 1 0 306.406 3.385 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468628402 244057138 /nfs/dbraw/zinc/05/71/38/244057138.db2.gz DZSGLCYUVYSMDT-XKHVPYPXSA-N 1 0 306.406 3.385 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)CCCO ZINC000468623800 244057604 /nfs/dbraw/zinc/05/76/04/244057604.db2.gz ZUXRKNHMKIUCGT-UVTDQMKNSA-N 1 0 306.406 3.386 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000469164354 244087529 /nfs/dbraw/zinc/08/75/29/244087529.db2.gz ZXPMCKHPMDHGEE-KIIBNJGVSA-N 1 0 304.390 3.401 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(O)CCCCCC1 ZINC000117947040 284126624 /nfs/dbraw/zinc/12/66/24/284126624.db2.gz UESYPUFXGZQUAJ-UHFFFAOYSA-N 1 0 322.405 3.168 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000093214203 193216992 /nfs/dbraw/zinc/21/69/92/193216992.db2.gz NYPROXHBYNDNLC-VHSXEESVSA-N 1 0 314.183 3.039 20 5 DGBDRO CC(C)c1ccc(C[N@H+](CCCCO)C2CC2)cc1[N+](=O)[O-] ZINC000093383197 193240635 /nfs/dbraw/zinc/24/06/35/193240635.db2.gz KDQSKBBLPGTNCA-UHFFFAOYSA-N 1 0 306.406 3.455 20 5 DGBDRO CN(CC(C)(C)C[NH3+])c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000093874590 193322529 /nfs/dbraw/zinc/32/25/29/193322529.db2.gz YBOVXDLOHADEHS-UHFFFAOYSA-N 1 0 305.300 3.035 20 5 DGBDRO Cc1cc(N[C@@H]2CCC[C@@H]2CCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000274989987 212060268 /nfs/dbraw/zinc/06/02/68/212060268.db2.gz DKPUMUNEDPNPPI-IUODEOHRSA-N 1 0 315.373 3.414 20 5 DGBDRO CC(C)[C@@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000122146750 284214013 /nfs/dbraw/zinc/21/40/13/284214013.db2.gz RFAIQIICTUQSQE-RHSMWYFYSA-N 1 0 305.422 3.366 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C/c2ccncc2)c(Cl)c1 ZINC000487549150 245072793 /nfs/dbraw/zinc/07/27/93/245072793.db2.gz FKSJQNSLNBFCGC-OWOJBTEDSA-N 1 0 303.749 3.446 20 5 DGBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCC[C@@H]1C ZINC000488038945 245139036 /nfs/dbraw/zinc/13/90/36/245139036.db2.gz IGUWXFUAMXOXSF-XJKSGUPXSA-N 1 0 322.405 3.240 20 5 DGBDRO CC1CC[NH+](CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000490010547 245372096 /nfs/dbraw/zinc/37/20/96/245372096.db2.gz ITVVOEQRCNUJCF-UHFFFAOYSA-N 1 0 317.433 3.291 20 5 DGBDRO CCC(C)(C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000265038031 204357972 /nfs/dbraw/zinc/35/79/72/204357972.db2.gz MIWXNTMGWPDRKM-UHFFFAOYSA-N 1 0 307.394 3.352 20 5 DGBDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000296351034 284307280 /nfs/dbraw/zinc/30/72/80/284307280.db2.gz IHSPJBIVIMHCOV-CJNGLKHVSA-N 1 0 321.421 3.057 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC000266128462 205122986 /nfs/dbraw/zinc/12/29/86/205122986.db2.gz CHIUWEHUUJNMGV-QWHCGFSZSA-N 1 0 316.357 3.369 20 5 DGBDRO CCOC(=O)CC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266507281 205396353 /nfs/dbraw/zinc/39/63/53/205396353.db2.gz CEQGGQKRKHUQFA-ZDUSSCGKSA-N 1 0 320.389 3.321 20 5 DGBDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266821157 205625850 /nfs/dbraw/zinc/62/58/50/205625850.db2.gz ZJJUBYGDUWCXBY-SUMWQHHRSA-N 1 0 300.358 3.369 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000267222020 205904854 /nfs/dbraw/zinc/90/48/54/205904854.db2.gz DBRQLSHCNYMSED-STQMWFEESA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000267698051 206225758 /nfs/dbraw/zinc/22/57/58/206225758.db2.gz INEDNKZWEJWPTL-ZDUSSCGKSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)C2(C)CC2)cccc1[N+](=O)[O-] ZINC000267798263 206288577 /nfs/dbraw/zinc/28/85/77/206288577.db2.gz XOQLLPKVZWHUDU-CYBMUJFWSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000181663798 432140747 /nfs/dbraw/zinc/14/07/47/432140747.db2.gz KGWBFRAJBBLBLW-ZDUSSCGKSA-N 1 0 301.346 3.110 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285688208 296240417 /nfs/dbraw/zinc/24/04/17/296240417.db2.gz VGSLLGYFOVIAPI-ILXRZTDVSA-N 1 0 303.406 3.214 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429363333 296240507 /nfs/dbraw/zinc/24/05/07/296240507.db2.gz COZDRVQJQRWBAE-CABCVRRESA-N 1 0 317.433 3.462 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)CCC[NH+](CC)CC ZINC000172823566 284608907 /nfs/dbraw/zinc/60/89/07/284608907.db2.gz ZPLDUGPYHVMAKY-LBPRGKRZSA-N 1 0 311.430 3.042 20 5 DGBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000043596793 183375360 /nfs/dbraw/zinc/37/53/60/183375360.db2.gz IEUSPCMAXRXFMY-SECBINFHSA-N 1 0 316.199 3.109 20 5 DGBDRO Cn1cc(C[NH2+]C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000102419572 193885981 /nfs/dbraw/zinc/88/59/81/193885981.db2.gz JDNIKIYMOUZCNP-UHFFFAOYSA-N 1 0 314.389 3.418 20 5 DGBDRO Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000285211107 218335125 /nfs/dbraw/zinc/33/51/25/218335125.db2.gz ONFLZDPZSOCHLA-GXSJLCMTSA-N 1 0 320.418 3.396 20 5 DGBDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268865292 207034251 /nfs/dbraw/zinc/03/42/51/207034251.db2.gz HBPYVXWONJUDTM-DYVFJYSZSA-N 1 0 300.358 3.153 20 5 DGBDRO COc1ccccc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268919536 207086252 /nfs/dbraw/zinc/08/62/52/207086252.db2.gz IXBRPOVTHMFVBN-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO Cc1cc(C)n(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000269072159 207219784 /nfs/dbraw/zinc/21/97/84/207219784.db2.gz AQHKBNRFPFZXHL-UHFFFAOYSA-N 1 0 314.389 3.073 20 5 DGBDRO COc1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000065208549 184314522 /nfs/dbraw/zinc/31/45/22/184314522.db2.gz MCQZDXUTMWLSJW-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)CCC2 ZINC000248832099 285029263 /nfs/dbraw/zinc/02/92/63/285029263.db2.gz HSTHMORVWHFQIG-XGWLTEMNSA-N 1 0 304.390 3.113 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272656206 252834321 /nfs/dbraw/zinc/83/43/21/252834321.db2.gz BFZYOTDAKKKGET-ZIAGYGMSSA-N 1 0 318.421 3.363 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000336865967 253013626 /nfs/dbraw/zinc/01/36/26/253013626.db2.gz VMFYQSIEAGRYCB-JKSUJKDBSA-N 1 0 304.390 3.341 20 5 DGBDRO COc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000271101855 533038077 /nfs/dbraw/zinc/03/80/77/533038077.db2.gz PQIZWURRPXIXER-MNOVXSKESA-N 1 0 311.357 3.027 20 5 DGBDRO COc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000271101859 533039917 /nfs/dbraw/zinc/03/99/17/533039917.db2.gz PQIZWURRPXIXER-WDEREUQCSA-N 1 0 311.357 3.027 20 5 DGBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000337318904 253086070 /nfs/dbraw/zinc/08/60/70/253086070.db2.gz NFVPUDKIDQTHEK-KGLIPLIRSA-N 1 0 319.405 3.291 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337388505 253103579 /nfs/dbraw/zinc/10/35/79/253103579.db2.gz GOHFOTVSRUEFPK-DGCLKSJQSA-N 1 0 300.305 3.235 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC2(COC)CCC2)cc1[N+](=O)[O-] ZINC000337407808 253109731 /nfs/dbraw/zinc/10/97/31/253109731.db2.gz MKSOXUBCQOXPCM-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO CC1(C)CCCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337456267 253118939 /nfs/dbraw/zinc/11/89/39/253118939.db2.gz HXYYTEAKIUMKGT-UHFFFAOYSA-N 1 0 319.405 3.436 20 5 DGBDRO C[C@@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337456829 253118994 /nfs/dbraw/zinc/11/89/94/253118994.db2.gz ICXKFMBXCKOGMI-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337456833 253119401 /nfs/dbraw/zinc/11/94/01/253119401.db2.gz ICXKFMBXCKOGMI-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO CCC1(C)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337340286 253091650 /nfs/dbraw/zinc/09/16/50/253091650.db2.gz SOPXUADQLDTTRN-UHFFFAOYSA-N 1 0 319.405 3.436 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000270256000 208322389 /nfs/dbraw/zinc/32/23/89/208322389.db2.gz GXYVZARDJVPHMA-KRWDZBQOSA-N 1 0 318.348 3.040 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289636290 285111832 /nfs/dbraw/zinc/11/18/32/285111832.db2.gz SFXWVVUXBBZFKH-HOTGVXAUSA-N 1 0 302.374 3.128 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCC(C)CC2)c1 ZINC000338639431 253324091 /nfs/dbraw/zinc/32/40/91/253324091.db2.gz CQVIINDQOGMVBX-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCn2cccn2)cc1[N+](=O)[O-] ZINC000159083935 197325595 /nfs/dbraw/zinc/32/55/95/197325595.db2.gz VHZCWVRMADNMRE-UONOGXRCSA-N 1 0 302.378 3.229 20 5 DGBDRO CC(=O)c1ccc(NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000338756572 253346495 /nfs/dbraw/zinc/34/64/95/253346495.db2.gz MUXCWUJPWNTUCP-UHFFFAOYSA-N 1 0 319.405 3.475 20 5 DGBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272963848 210349921 /nfs/dbraw/zinc/34/99/21/210349921.db2.gz NYQWHVIBXLIJRA-OAHLLOKOSA-N 1 0 312.797 3.375 20 5 DGBDRO CSCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339026203 253392270 /nfs/dbraw/zinc/39/22/70/253392270.db2.gz XFGYHBVLNBGXRM-UHFFFAOYSA-N 1 0 308.325 3.408 20 5 DGBDRO C[C@@H]([NH2+]CCOCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294633204 224132267 /nfs/dbraw/zinc/13/22/67/224132267.db2.gz FYMNADVMQPOQJL-CYBMUJFWSA-N 1 0 315.373 3.044 20 5 DGBDRO CC1(C)CCC[C@]1(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000339463842 253473384 /nfs/dbraw/zinc/47/33/84/253473384.db2.gz DHCDATMWCOGMCP-AFCDSYGPSA-N 1 0 304.390 3.139 20 5 DGBDRO Nc1ccc(NC2CC[NH+](CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000286495347 219018882 /nfs/dbraw/zinc/01/88/82/219018882.db2.gz ZSYCXQVOORKFKQ-UHFFFAOYSA-N 1 0 318.421 3.244 20 5 DGBDRO CC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000340683831 253669265 /nfs/dbraw/zinc/66/92/65/253669265.db2.gz WJVJQXYRJNCLFX-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO CC[C@H]([NH2+]CCCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000158334125 197263678 /nfs/dbraw/zinc/26/36/78/197263678.db2.gz KIHAALWATXFPPS-INIZCTEOSA-N 1 0 302.378 3.002 20 5 DGBDRO C[N@H+](CCc1nccs1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000158013296 197234619 /nfs/dbraw/zinc/23/46/19/197234619.db2.gz AZOMGNQKTJSFKJ-UHFFFAOYSA-N 1 0 311.794 3.379 20 5 DGBDRO CC[N@H+](CC1CC1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157895421 197224247 /nfs/dbraw/zinc/22/42/47/197224247.db2.gz UVGOIHWDUFTSDW-LLVKDONJSA-N 1 0 316.361 3.438 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000249136815 285161436 /nfs/dbraw/zinc/16/14/36/285161436.db2.gz VOIXTUKJOVJGNN-OTRWWLKZSA-N 1 0 318.417 3.057 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000343582873 254163794 /nfs/dbraw/zinc/16/37/94/254163794.db2.gz QMEYLMMEUJATJQ-CQSZACIVSA-N 1 0 320.780 3.223 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343711428 254180442 /nfs/dbraw/zinc/18/04/42/254180442.db2.gz NRVYHCHRTLTAFL-ZDUSSCGKSA-N 1 0 307.394 3.291 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1nccn1-c1ccccc1 ZINC000344070253 254220357 /nfs/dbraw/zinc/22/03/57/254220357.db2.gz USAJEPKPADGWFE-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1CCCC1 ZINC000344186930 254237179 /nfs/dbraw/zinc/23/71/79/254237179.db2.gz GCHVDWNWZSRHSW-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000344214666 254240674 /nfs/dbraw/zinc/24/06/74/254240674.db2.gz CCNRKXOSPKTDGW-MLGOLLRUSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000344227384 254241941 /nfs/dbraw/zinc/24/19/41/254241941.db2.gz TUPPFKIPXZIVNO-CYBMUJFWSA-N 1 0 300.358 3.330 20 5 DGBDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000344329674 254257262 /nfs/dbraw/zinc/25/72/62/254257262.db2.gz NDVRSGYKAOSUGC-HNNXBMFYSA-N 1 0 318.373 3.234 20 5 DGBDRO COc1ccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cn1 ZINC000344918909 254316142 /nfs/dbraw/zinc/31/61/42/254316142.db2.gz XXTLTTFPLMOSJF-JYRVWZFOSA-N 1 0 313.357 3.192 20 5 DGBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000156688959 197134011 /nfs/dbraw/zinc/13/40/11/197134011.db2.gz LYLDFNFSUWVGRL-MRXNPFEDSA-N 1 0 320.776 3.246 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000282432537 285228904 /nfs/dbraw/zinc/22/89/04/285228904.db2.gz MKNSDRXIFUHHKB-NHYWBVRUSA-N 1 0 300.362 3.057 20 5 DGBDRO Cc1cc(N2CCC[C@@H]2C[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000461948958 291934101 /nfs/dbraw/zinc/93/41/01/291934101.db2.gz PEUCKUOHEJUXEX-CQSZACIVSA-N 1 0 321.396 3.497 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000323004217 533218104 /nfs/dbraw/zinc/21/81/04/533218104.db2.gz VFMKWMXMCSUYKE-HIFRSBDPSA-N 1 0 322.405 3.119 20 5 DGBDRO CCc1nnc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000289583113 221084535 /nfs/dbraw/zinc/08/45/35/221084535.db2.gz AOLAOGQPAICBBC-NSHDSACASA-N 1 0 320.418 3.120 20 5 DGBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1[C@@H]1CCCO1 ZINC000289803765 221237344 /nfs/dbraw/zinc/23/73/44/221237344.db2.gz NWTBPSOBVDRTCC-HOTGVXAUSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CCCC1 ZINC000290045241 221397959 /nfs/dbraw/zinc/39/79/59/221397959.db2.gz DSHQWFWYRVBUAC-CJNGLKHVSA-N 1 0 306.406 3.057 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000121690559 195330779 /nfs/dbraw/zinc/33/07/79/195330779.db2.gz YADKSCDOPPCTKQ-BBWFWOEESA-N 1 0 316.401 3.075 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121735591 195336622 /nfs/dbraw/zinc/33/66/22/195336622.db2.gz VGTCGIZXQRADFC-FRRDWIJNSA-N 1 0 305.378 3.090 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000121762956 195343037 /nfs/dbraw/zinc/34/30/37/195343037.db2.gz JIGBUXXNGUGXAA-LLVKDONJSA-N 1 0 300.314 3.174 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000123192112 195554281 /nfs/dbraw/zinc/55/42/81/195554281.db2.gz NIUFYGHFEGIWST-STQMWFEESA-N 1 0 305.378 3.105 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)CC(C)(C)C ZINC000468624013 533409259 /nfs/dbraw/zinc/40/92/59/533409259.db2.gz ZMLRHBUSXRYSDO-OIQJVACTSA-N 1 0 306.406 3.385 20 5 DGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000413244944 533565950 /nfs/dbraw/zinc/56/59/50/533565950.db2.gz NQNHMYDMROGJNZ-VXGBXAGGSA-N 1 0 322.384 3.194 20 5 DGBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000302087070 533610057 /nfs/dbraw/zinc/61/00/57/533610057.db2.gz AATKWSODOUMKRB-LBPRGKRZSA-N 1 0 322.365 3.179 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000432309821 304805181 /nfs/dbraw/zinc/80/51/81/304805181.db2.gz CDFALLAYUOGREQ-LBPRGKRZSA-N 1 0 309.797 3.313 20 5 DGBDRO CCOC1CC(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595042487 400086052 /nfs/dbraw/zinc/08/60/52/400086052.db2.gz TXYFVMGJIYFRQT-OPFPJEHXSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccc(C)cn1 ZINC000595043808 400086954 /nfs/dbraw/zinc/08/69/54/400086954.db2.gz AKNDHODTMGSYOM-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000595054140 400091189 /nfs/dbraw/zinc/09/11/89/400091189.db2.gz XTLMWSTXSUFCQS-LLVKDONJSA-N 1 0 310.394 3.051 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1(CO)CC1 ZINC000595068071 400097123 /nfs/dbraw/zinc/09/71/23/400097123.db2.gz ODBYGVZJCJXZKX-STQMWFEESA-N 1 0 324.446 3.216 20 5 DGBDRO CCC[NH+]1CCC(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000007365669 400103121 /nfs/dbraw/zinc/10/31/21/400103121.db2.gz LSKRUQKUZSOJAZ-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO CCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000595097374 400104931 /nfs/dbraw/zinc/10/49/31/400104931.db2.gz URCQAKOKIRALKK-ZFWWWQNUSA-N 1 0 321.421 3.128 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@]1(C)CC1(C)C ZINC000595102127 400106866 /nfs/dbraw/zinc/10/68/66/400106866.db2.gz KAQRGRXGZYJVFA-MEDUHNTESA-N 1 0 305.378 3.090 20 5 DGBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000595106063 400108053 /nfs/dbraw/zinc/10/80/53/400108053.db2.gz HKXCPEJFUBKZGB-KURKYZTESA-N 1 0 312.369 3.451 20 5 DGBDRO C[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1nccn1C ZINC000595109867 400108731 /nfs/dbraw/zinc/10/87/31/400108731.db2.gz WHNLEEKWSCQVSP-SWLSCSKDSA-N 1 0 314.389 3.000 20 5 DGBDRO C[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1nccn1C ZINC000595109865 400109227 /nfs/dbraw/zinc/10/92/27/400109227.db2.gz WHNLEEKWSCQVSP-IUODEOHRSA-N 1 0 314.389 3.000 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000595023855 400079835 /nfs/dbraw/zinc/07/98/35/400079835.db2.gz YZXGSRLYDYLTPA-CHWSQXEVSA-N 1 0 320.389 3.356 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)C1CCCCC1 ZINC000595025480 400080709 /nfs/dbraw/zinc/08/07/09/400080709.db2.gz HXPRUPDGERZAQJ-BLLLJJGKSA-N 1 0 322.405 3.195 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000595025711 400080742 /nfs/dbraw/zinc/08/07/42/400080742.db2.gz LPWDRNVOKQLIBK-SQWYCQTGSA-N 1 0 320.389 3.068 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000595029134 400081922 /nfs/dbraw/zinc/08/19/22/400081922.db2.gz HORVDABWECIPCA-UWVGGRQHSA-N 1 0 300.305 3.442 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000595028658 400081985 /nfs/dbraw/zinc/08/19/85/400081985.db2.gz WTJBDZMODGYAJJ-SRVKXCTJSA-N 1 0 308.378 3.210 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000595031842 400082624 /nfs/dbraw/zinc/08/26/24/400082624.db2.gz GRSJLIQNJVRSEX-AGIUHOORSA-N 1 0 308.378 3.069 20 5 DGBDRO COC1([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000595032241 400082917 /nfs/dbraw/zinc/08/29/17/400082917.db2.gz JIFKUDWMNMAFKG-NSHDSACASA-N 1 0 312.797 3.338 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000595035397 400083569 /nfs/dbraw/zinc/08/35/69/400083569.db2.gz ITNSHLLVQKBJKI-NWDGAFQWSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CCO)C(C)(C)C ZINC000595034876 400084271 /nfs/dbraw/zinc/08/42/71/400084271.db2.gz YXUYQEWNGCTZHB-IAQYHMDHSA-N 1 0 310.394 3.051 20 5 DGBDRO COCC1(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000595037082 400084697 /nfs/dbraw/zinc/08/46/97/400084697.db2.gz BEWPFLQKEDZLQT-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507950 400172003 /nfs/dbraw/zinc/17/20/03/400172003.db2.gz SCCLGTRPRVHGQY-WMLDXEAASA-N 1 0 303.406 3.074 20 5 DGBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000018058485 400180686 /nfs/dbraw/zinc/18/06/86/400180686.db2.gz WCOYWHBDXJUEFY-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000595563825 400189170 /nfs/dbraw/zinc/18/91/70/400189170.db2.gz ULDJDTRIAYGANQ-HIFRSBDPSA-N 1 0 308.353 3.125 20 5 DGBDRO Cc1noc(C[NH2+]C(C)(C)Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595552624 400185053 /nfs/dbraw/zinc/18/50/53/400185053.db2.gz PCAIWHQOHQAGMR-UHFFFAOYSA-N 1 0 303.362 3.311 20 5 DGBDRO C[C@H](O)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000595303255 400123155 /nfs/dbraw/zinc/12/31/55/400123155.db2.gz OCQWFTMRPHSNHV-LBPRGKRZSA-N 1 0 310.369 3.249 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CN1 ZINC000600679703 400128385 /nfs/dbraw/zinc/12/83/85/400128385.db2.gz NRBZWLTVZDZTOH-OHFALNGGSA-N 1 0 317.433 3.036 20 5 DGBDRO Cc1noc(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595338366 400130162 /nfs/dbraw/zinc/13/01/62/400130162.db2.gz RKQNOJXUFVQLIY-ZFWWWQNUSA-N 1 0 315.373 3.344 20 5 DGBDRO COC(C)(C)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000585725704 400134709 /nfs/dbraw/zinc/13/47/09/400134709.db2.gz GJQFVHNXPHOWFE-SNVBAGLBSA-N 1 0 300.786 3.194 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000315867787 400147548 /nfs/dbraw/zinc/14/75/48/400147548.db2.gz BCOOOYYQOQTWMN-HZPDHXFCSA-N 1 0 323.824 3.355 20 5 DGBDRO Cc1c(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000316377498 400149769 /nfs/dbraw/zinc/14/97/69/400149769.db2.gz IRHOXUBKHVTBOB-RDJZCZTQSA-N 1 0 303.406 3.010 20 5 DGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@@H]1CCOC1 ZINC000609203704 400150005 /nfs/dbraw/zinc/15/00/05/400150005.db2.gz OCPYNRVGNFNJFW-AWEZNQCLSA-N 1 0 322.405 3.240 20 5 DGBDRO Cc1c(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000316377496 400150251 /nfs/dbraw/zinc/15/02/51/400150251.db2.gz IRHOXUBKHVTBOB-DOTOQJQBSA-N 1 0 303.406 3.010 20 5 DGBDRO [NH3+]CC1(Cc2ccc(-c3cc([N+](=O)[O-])ccc3CO)cc2)CC1 ZINC000600781567 400152044 /nfs/dbraw/zinc/15/20/44/400152044.db2.gz DWVKMMVDNKAJIK-UHFFFAOYSA-N 1 0 312.369 3.036 20 5 DGBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000595444597 400152380 /nfs/dbraw/zinc/15/23/80/400152380.db2.gz BYAGIVGXTPPPRN-UHFFFAOYSA-N 1 0 310.369 3.251 20 5 DGBDRO Cc1noc(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000595561734 400187331 /nfs/dbraw/zinc/18/73/31/400187331.db2.gz LTVUMMBVWYZYMX-QMMMGPOBSA-N 1 0 303.309 3.195 20 5 DGBDRO Cc1noc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595453852 400155040 /nfs/dbraw/zinc/15/50/40/400155040.db2.gz HROKDJJGUUOCTN-JTQLQIEISA-N 1 0 321.299 3.302 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000595455266 400156524 /nfs/dbraw/zinc/15/65/24/400156524.db2.gz RTOKFPFWIJXDCU-NUEKZKHPSA-N 1 0 320.364 3.171 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C12CCCCC2 ZINC000595455021 400156564 /nfs/dbraw/zinc/15/65/64/400156564.db2.gz QYUCDKPVJPFXSQ-UONOGXRCSA-N 1 0 323.393 3.109 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)O ZINC000609707863 400187603 /nfs/dbraw/zinc/18/76/03/400187603.db2.gz HMUHFZHGWMNHFB-NSHDSACASA-N 1 0 304.346 3.104 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000067965194 400220015 /nfs/dbraw/zinc/22/00/15/400220015.db2.gz QVEOAJDMXDLAIZ-CYBMUJFWSA-N 1 0 307.394 3.352 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000610247998 400229201 /nfs/dbraw/zinc/22/92/01/400229201.db2.gz BSOASNNCLPUSGK-CHWSQXEVSA-N 1 0 300.362 3.259 20 5 DGBDRO C[C@@H](NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420407 400255867 /nfs/dbraw/zinc/25/58/67/400255867.db2.gz QZONDXQQMWDUIU-QLFBSQMISA-N 1 0 305.422 3.223 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601108033 400234665 /nfs/dbraw/zinc/23/46/65/400234665.db2.gz ASALSHDSQTYGJV-ZDUSSCGKSA-N 1 0 314.389 3.110 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595706029 400237952 /nfs/dbraw/zinc/23/79/52/400237952.db2.gz WRGKYURGEMBWAT-SMDDNHRTSA-N 1 0 312.797 3.231 20 5 DGBDRO CC(C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000025952638 400248569 /nfs/dbraw/zinc/24/85/69/400248569.db2.gz XSRRRYJUAFTDBK-UHFFFAOYSA-N 1 0 302.334 3.018 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C[N@@H+]1C1CC1 ZINC000092672342 400192724 /nfs/dbraw/zinc/19/27/24/400192724.db2.gz UUWOJZJFADDQJB-NWDGAFQWSA-N 1 0 312.373 3.180 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595592672 400196332 /nfs/dbraw/zinc/19/63/32/400196332.db2.gz IHDUEWRSAKPFGQ-LLVKDONJSA-N 1 0 304.350 3.265 20 5 DGBDRO CC(C)OCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000601160661 400253914 /nfs/dbraw/zinc/25/39/14/400253914.db2.gz YOWYTYRKIJDYTJ-UHFFFAOYSA-N 1 0 304.346 3.369 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595599453 400198844 /nfs/dbraw/zinc/19/88/44/400198844.db2.gz LWHNDKZOMWQFFR-GFCCVEGCSA-N 1 0 323.393 3.052 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595598997 400198964 /nfs/dbraw/zinc/19/89/64/400198964.db2.gz JFDPEBKOGOJIKU-LLVKDONJSA-N 1 0 304.350 3.265 20 5 DGBDRO CC[C@H](C)[N@H+](CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595598998 400199121 /nfs/dbraw/zinc/19/91/21/400199121.db2.gz JFDPEBKOGOJIKU-NSHDSACASA-N 1 0 304.350 3.265 20 5 DGBDRO Cc1noc(CN(Cc2ccccc2F)CC2CC2)c1[N+](=O)[O-] ZINC000595768346 400254385 /nfs/dbraw/zinc/25/43/85/400254385.db2.gz YXAGJVYHFCOSFS-UHFFFAOYSA-N 1 0 319.336 3.443 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nccc3ccccc32)cc1 ZINC000610137476 400215875 /nfs/dbraw/zinc/21/58/75/400215875.db2.gz OVCCZFXGJDGNQL-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO CC(C)[N@H+](CCOC[C@@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000610161081 400217114 /nfs/dbraw/zinc/21/71/14/400217114.db2.gz SEFLWLKEGHLCRR-KRWDZBQOSA-N 1 0 322.405 3.001 20 5 DGBDRO Cc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000589190911 400272409 /nfs/dbraw/zinc/27/24/09/400272409.db2.gz YIBGHDNBBCCKTG-UHFFFAOYSA-N 1 0 305.403 3.238 20 5 DGBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](O)C1CC1 ZINC000589196450 400273206 /nfs/dbraw/zinc/27/32/06/400273206.db2.gz BQLSCRRTWZMSKI-INIZCTEOSA-N 1 0 316.357 3.058 20 5 DGBDRO CC(C)CC1([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000595832501 400274441 /nfs/dbraw/zinc/27/44/41/400274441.db2.gz WEAKYKAQDKMNIY-GFCCVEGCSA-N 1 0 305.378 3.090 20 5 DGBDRO CC(C)CC1([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595831331 400274787 /nfs/dbraw/zinc/27/47/87/400274787.db2.gz MPIYMFRASMDPAH-GFCCVEGCSA-N 1 0 305.378 3.090 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCc3ncccc32)cc1 ZINC000601269656 400279345 /nfs/dbraw/zinc/27/93/45/400279345.db2.gz KHGSDWCFLZFVQO-QGZVFWFLSA-N 1 0 313.357 3.036 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000068722744 400281595 /nfs/dbraw/zinc/28/15/95/400281595.db2.gz NVEROZOGIVIFIV-JTQLQIEISA-N 1 0 317.311 3.367 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000030269487 400322900 /nfs/dbraw/zinc/32/29/00/400322900.db2.gz LXKXCPRHDWBRGL-SNVBAGLBSA-N 1 0 313.785 3.307 20 5 DGBDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000601289900 400285206 /nfs/dbraw/zinc/28/52/06/400285206.db2.gz VXJYQYHTTQTOJB-JSGCOSHPSA-N 1 0 310.394 3.195 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000601304055 400288045 /nfs/dbraw/zinc/28/80/45/400288045.db2.gz LEUSXDKDSDKQDV-NSHDSACASA-N 1 0 317.345 3.003 20 5 DGBDRO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CC[NH3+] ZINC000404322888 400295156 /nfs/dbraw/zinc/29/51/56/400295156.db2.gz RYCDUKSITQBPJD-ABAIWWIYSA-N 1 0 311.813 3.198 20 5 DGBDRO C[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404326622 400295717 /nfs/dbraw/zinc/29/57/17/400295717.db2.gz VTVXEESUILBUNL-SMDDNHRTSA-N 1 0 311.813 3.198 20 5 DGBDRO Cc1nn(C)cc1[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610729594 400297783 /nfs/dbraw/zinc/29/77/83/400297783.db2.gz QVRYWYUXEKPPTD-OAHLLOKOSA-N 1 0 318.352 3.113 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[N@H+](C)C1CC1 ZINC000068913611 400299755 /nfs/dbraw/zinc/29/97/55/400299755.db2.gz YZHDQAQBZGUYPY-NSHDSACASA-N 1 0 300.362 3.038 20 5 DGBDRO COc1cc(NCCC[N@H+](C)C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596075509 400310049 /nfs/dbraw/zinc/31/00/49/400310049.db2.gz FIPQSVYTCMBKEX-UHFFFAOYSA-N 1 0 315.801 3.399 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000595790843 400261351 /nfs/dbraw/zinc/26/13/51/400261351.db2.gz YUVIDQXBDJDTES-QGZVFWFLSA-N 1 0 304.390 3.376 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000072491990 400382258 /nfs/dbraw/zinc/38/22/58/400382258.db2.gz OBYFQPWATRFLLP-CQSZACIVSA-N 1 0 319.405 3.210 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000596335171 400384376 /nfs/dbraw/zinc/38/43/76/400384376.db2.gz GJEUPWMSGJQYSI-GFCCVEGCSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000611370368 400385084 /nfs/dbraw/zinc/38/50/84/400385084.db2.gz JCUIGWAICHUMMH-JHJVBQTASA-N 1 0 309.435 3.498 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000601966222 400390370 /nfs/dbraw/zinc/39/03/70/400390370.db2.gz YLFLRAIKIAQQKW-OAHLLOKOSA-N 1 0 306.406 3.465 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000590123485 400358668 /nfs/dbraw/zinc/35/86/68/400358668.db2.gz YQAPMNLCPBTLNG-CQSZACIVSA-N 1 0 310.781 3.128 20 5 DGBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611254214 400365347 /nfs/dbraw/zinc/36/53/47/400365347.db2.gz UDAJLSHOURVWII-GXTWGEPZSA-N 1 0 320.389 3.377 20 5 DGBDRO CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCC1 ZINC000611254717 400365452 /nfs/dbraw/zinc/36/54/52/400365452.db2.gz POSSGGNFLKTACF-UHFFFAOYSA-N 1 0 306.362 3.131 20 5 DGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000611255861 400366783 /nfs/dbraw/zinc/36/67/83/400366783.db2.gz OMZAIFYUBUHVOW-NSHDSACASA-N 1 0 311.357 3.029 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276014 400372763 /nfs/dbraw/zinc/37/27/63/400372763.db2.gz UJRZTMMLUMEJDJ-GFCCVEGCSA-N 1 0 308.378 3.234 20 5 DGBDRO O=[N+]([O-])c1ncccc1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000611281826 400374034 /nfs/dbraw/zinc/37/40/34/400374034.db2.gz KVMWDTVMUGJSJR-UHFFFAOYSA-N 1 0 312.373 3.372 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)nc2C)cc1[N+](=O)[O-] ZINC000611299744 400375419 /nfs/dbraw/zinc/37/54/19/400375419.db2.gz ITHDIFJDNKJZGR-LBPRGKRZSA-N 1 0 315.373 3.466 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000596309263 400376717 /nfs/dbraw/zinc/37/67/17/400376717.db2.gz RDQBPOFLLSRVIU-LBPRGKRZSA-N 1 0 314.389 3.428 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000596309565 400376888 /nfs/dbraw/zinc/37/68/88/400376888.db2.gz VQSHNSLMDLRRGB-AWEZNQCLSA-N 1 0 314.389 3.428 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000596308763 400377054 /nfs/dbraw/zinc/37/70/54/400377054.db2.gz NMXVBJQNARAYDJ-GFCCVEGCSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1cc(NCC[C@@H](C)[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000596427227 400413488 /nfs/dbraw/zinc/41/34/88/400413488.db2.gz BMOTXMGGHZSVJY-GFCCVEGCSA-N 1 0 302.378 3.204 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000611411771 400395890 /nfs/dbraw/zinc/39/58/90/400395890.db2.gz MRMXGKQXXLSBBT-UPJWGTAASA-N 1 0 309.435 3.498 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(OC)c(C)cc2[N+](=O)[O-])C1 ZINC000590573590 400397793 /nfs/dbraw/zinc/39/77/93/400397793.db2.gz DDNOKMJFCBFAJX-ZDUSSCGKSA-N 1 0 307.394 3.056 20 5 DGBDRO Cc1nc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596479185 400424394 /nfs/dbraw/zinc/42/43/94/400424394.db2.gz LXIMZBHQGLGAQX-ZDUSSCGKSA-N 1 0 304.394 3.117 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000611616561 400429320 /nfs/dbraw/zinc/42/93/20/400429320.db2.gz APMBYIURIRCNAC-UHFFFAOYSA-N 1 0 306.410 3.281 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596518841 400436524 /nfs/dbraw/zinc/43/65/24/400436524.db2.gz XJDLHELHMFQWKR-SNVBAGLBSA-N 1 0 313.785 3.153 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000611696831 400438216 /nfs/dbraw/zinc/43/82/16/400438216.db2.gz YYIUXNWZYKCBFY-INIZCTEOSA-N 1 0 320.368 3.226 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000596571528 400447125 /nfs/dbraw/zinc/44/71/25/400447125.db2.gz UTWQUVNYYMCYQJ-HNNXBMFYSA-N 1 0 318.421 3.141 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCOC3)CC2)c(Cl)c1 ZINC000611794047 400454135 /nfs/dbraw/zinc/45/41/35/400454135.db2.gz OWFPPFCKEVRXBZ-UHFFFAOYSA-N 1 0 310.781 3.251 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000121475976 400455185 /nfs/dbraw/zinc/45/51/85/400455185.db2.gz BLJHBDJJGJPQGY-FMKPAKJESA-N 1 0 306.406 3.057 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3(C4CC4)CCC3)nc2c1 ZINC000602572531 400500538 /nfs/dbraw/zinc/50/05/38/400500538.db2.gz QFIFUDBEPDWBTF-UHFFFAOYSA-N 1 0 301.346 3.406 20 5 DGBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000602575036 400501649 /nfs/dbraw/zinc/50/16/49/400501649.db2.gz FLKXKMXMSNXHQN-JOYOIKCWSA-N 1 0 318.295 3.271 20 5 DGBDRO Nc1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000596650637 400471998 /nfs/dbraw/zinc/47/19/98/400471998.db2.gz MFOVSVFKRDJINW-KRWDZBQOSA-N 1 0 311.385 3.288 20 5 DGBDRO O=C(CC[NH+]1C2CCCC1CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000591015122 400475751 /nfs/dbraw/zinc/47/57/51/400475751.db2.gz ZZMDPUKKCGVHDT-UHFFFAOYSA-N 1 0 317.389 3.330 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](C4CCC4)C3)nc2c1 ZINC000591062120 400480449 /nfs/dbraw/zinc/48/04/49/400480449.db2.gz WJHKZDSRGOYOQP-GFCCVEGCSA-N 1 0 301.346 3.358 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061692 400480773 /nfs/dbraw/zinc/48/07/73/400480773.db2.gz DDHZTALIVFTBST-TZMCWYRMSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591061701 400481063 /nfs/dbraw/zinc/48/10/63/400481063.db2.gz DOVVIQZEFDSAJL-OCCSQVGLSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602503932 400481756 /nfs/dbraw/zinc/48/17/56/400481756.db2.gz PGTHOATYTIUONC-XJKSGUPXSA-N 1 0 318.421 3.127 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCCCO1 ZINC000602521716 400486880 /nfs/dbraw/zinc/48/68/80/400486880.db2.gz NDLKUYOYAUSLPI-GFCCVEGCSA-N 1 0 318.295 3.272 20 5 DGBDRO Cc1nc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000126541826 400493542 /nfs/dbraw/zinc/49/35/42/400493542.db2.gz RCAZHFYUHDEKHF-HNNXBMFYSA-N 1 0 317.414 3.471 20 5 DGBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602550196 400494087 /nfs/dbraw/zinc/49/40/87/400494087.db2.gz KMFYALGBBOLFOE-ZDUSSCGKSA-N 1 0 300.358 3.064 20 5 DGBDRO CSCCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602553006 400495040 /nfs/dbraw/zinc/49/50/40/400495040.db2.gz RGPMSYAWOVOKGJ-UHFFFAOYSA-N 1 0 308.325 3.456 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCS1 ZINC000602567871 400498685 /nfs/dbraw/zinc/49/86/85/400498685.db2.gz KMXAOEBBUJMGBI-AWEZNQCLSA-N 1 0 307.375 3.111 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@H](C4CC4)[C@@H]3C3CC3)nc2c1 ZINC000602683656 400538095 /nfs/dbraw/zinc/53/80/95/400538095.db2.gz QWTZGYNBAAYRFP-DYVFJYSZSA-N 1 0 313.357 3.356 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000612402092 400540577 /nfs/dbraw/zinc/54/05/77/400540577.db2.gz HURXBFFMFSYDEL-IVZVJUQRSA-N 1 0 316.401 3.357 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC000618197902 400547359 /nfs/dbraw/zinc/54/73/59/400547359.db2.gz UPLNCFBMCAGNGD-INIZCTEOSA-N 1 0 312.369 3.256 20 5 DGBDRO CC(C)(C)OCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602711514 400547935 /nfs/dbraw/zinc/54/79/35/400547935.db2.gz PEQYRCASLSQROZ-UHFFFAOYSA-N 1 0 307.350 3.031 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597060966 400550551 /nfs/dbraw/zinc/55/05/51/400550551.db2.gz XXZVXMBPLYPMJU-NVXWUHKLSA-N 1 0 304.390 3.075 20 5 DGBDRO CCC[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OCC ZINC000602722034 400551016 /nfs/dbraw/zinc/55/10/16/400551016.db2.gz ZTHQNIUMYPCAAM-GFCCVEGCSA-N 1 0 307.350 3.031 20 5 DGBDRO C[C@@H]([NH3+])c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000591687336 400551139 /nfs/dbraw/zinc/55/11/39/400551139.db2.gz CVXQITVYHLHBNJ-GFCCVEGCSA-N 1 0 302.330 3.072 20 5 DGBDRO C[C@H]([NH3+])c1ccc(OCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000591687335 400551562 /nfs/dbraw/zinc/55/15/62/400551562.db2.gz BKNMFPSXOBLAOG-LBPRGKRZSA-N 1 0 302.330 3.072 20 5 DGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000075021533 400553035 /nfs/dbraw/zinc/55/30/35/400553035.db2.gz PBQUWSFPUFVTFX-RISCZKNCSA-N 1 0 306.362 3.082 20 5 DGBDRO COCCC1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597183971 400580482 /nfs/dbraw/zinc/58/04/82/400580482.db2.gz OZNNKIQNKQZJLJ-UHFFFAOYSA-N 1 0 316.357 3.323 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000602758002 400564821 /nfs/dbraw/zinc/56/48/21/400564821.db2.gz DOIGHNUDTVXCOU-JTQLQIEISA-N 1 0 324.331 3.071 20 5 DGBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000602807573 400580759 /nfs/dbraw/zinc/58/07/59/400580759.db2.gz WGMKILFFCMRCEY-CQSZACIVSA-N 1 0 324.331 3.119 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)(F)CC1 ZINC000602993174 400623303 /nfs/dbraw/zinc/62/33/03/400623303.db2.gz SHBUSGVEROGSNH-UHFFFAOYSA-N 1 0 323.368 3.056 20 5 DGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571404 400626878 /nfs/dbraw/zinc/62/68/78/400626878.db2.gz LIPVOAOJHSSMPE-IIYDPXPESA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571406 400627283 /nfs/dbraw/zinc/62/72/83/400627283.db2.gz LIPVOAOJHSSMPE-XNJGSVPQSA-N 1 0 304.390 3.377 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000597203961 400587699 /nfs/dbraw/zinc/58/76/99/400587699.db2.gz AZIBEFYUSFTBLO-PMXLPMHFSA-N 1 0 316.401 3.235 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000592134924 400611246 /nfs/dbraw/zinc/61/12/46/400611246.db2.gz UELVXMMDUBUTKT-DOMZBBRYSA-N 1 0 308.353 3.125 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000592398827 400645363 /nfs/dbraw/zinc/64/53/63/400645363.db2.gz UQIGDHJEYAAVGP-SQWLQELKSA-N 1 0 308.422 3.303 20 5 DGBDRO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592521247 400662428 /nfs/dbraw/zinc/66/24/28/400662428.db2.gz YEZSRMNEVTUWJN-QKIRZYONSA-N 1 0 303.406 3.024 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000603250701 400660712 /nfs/dbraw/zinc/66/07/12/400660712.db2.gz LEVSAIWTXJCNFI-NHYWBVRUSA-N 1 0 317.393 3.150 20 5 DGBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358088822 285967932 /nfs/dbraw/zinc/96/79/32/285967932.db2.gz SXTBSKOHCMOWJW-RYUDHWBXSA-N 1 0 308.378 3.366 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000151853784 400676454 /nfs/dbraw/zinc/67/64/54/400676454.db2.gz QFPQRFIQZFSHQJ-CVEARBPZSA-N 1 0 304.390 3.422 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)C[NH+]1CCCC1 ZINC000076850461 400676959 /nfs/dbraw/zinc/67/69/59/400676959.db2.gz BBHMJRRXASFWKJ-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000157710484 400719815 /nfs/dbraw/zinc/71/98/15/400719815.db2.gz OBHDCGWKDVWICS-UKRRQHHQSA-N 1 0 303.406 3.038 20 5 DGBDRO Cc1ccccc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000603838209 400720886 /nfs/dbraw/zinc/72/08/86/400720886.db2.gz IQFSVQQQFFPIAQ-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO O=[N+]([O-])c1ncccc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603855289 400723938 /nfs/dbraw/zinc/72/39/38/400723938.db2.gz RZLRSNBOFFRSGO-UHFFFAOYSA-N 1 0 318.421 3.082 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000593076521 400754599 /nfs/dbraw/zinc/75/45/99/400754599.db2.gz KLKQJFCPERQBFR-UHFFFAOYSA-N 1 0 312.316 3.095 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(C2CCC2)CC1 ZINC000593078756 400754814 /nfs/dbraw/zinc/75/48/14/400754814.db2.gz AJIHRUZQTJSGTG-UHFFFAOYSA-N 1 0 317.389 3.154 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(C2CCC2)CC1 ZINC000593079911 400755937 /nfs/dbraw/zinc/75/59/37/400755937.db2.gz IMSNKSOFEYSEIF-UHFFFAOYSA-N 1 0 317.389 3.154 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CC2(O)CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000618984280 400738090 /nfs/dbraw/zinc/73/80/90/400738090.db2.gz SMZVJGUHVIXNOH-HNNXBMFYSA-N 1 0 304.390 3.212 20 5 DGBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000162224200 400743996 /nfs/dbraw/zinc/74/39/96/400743996.db2.gz SBHBAMNGLVWOCI-AWEZNQCLSA-N 1 0 320.389 3.150 20 5 DGBDRO CCn1cc(C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000593078992 400755744 /nfs/dbraw/zinc/75/57/44/400755744.db2.gz BNPPYCHJXRBICI-UHFFFAOYSA-N 1 0 316.405 3.264 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000598466442 400818245 /nfs/dbraw/zinc/81/82/45/400818245.db2.gz UIJKJEBPNLNALU-UHFFFAOYSA-N 1 0 321.421 3.062 20 5 DGBDRO CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053376692 400779520 /nfs/dbraw/zinc/77/95/20/400779520.db2.gz SBAKAGDYSJQJNA-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000053573757 400791735 /nfs/dbraw/zinc/79/17/35/400791735.db2.gz KBRBVUMWASJCTI-RBSFLKMASA-N 1 0 303.406 3.436 20 5 DGBDRO CC[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000078401653 400797565 /nfs/dbraw/zinc/79/75/65/400797565.db2.gz YXPWFZDRBIIWBD-UHFFFAOYSA-N 1 0 322.365 3.037 20 5 DGBDRO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000358153446 285984257 /nfs/dbraw/zinc/98/42/57/285984257.db2.gz IUYDFBNURRFAJC-BDJLRTHQSA-N 1 0 304.321 3.118 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000619480620 400854918 /nfs/dbraw/zinc/85/49/18/400854918.db2.gz FBUAOBLRWCALQK-AWEZNQCLSA-N 1 0 317.389 3.084 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000599058193 400943300 /nfs/dbraw/zinc/94/33/00/400943300.db2.gz SLURPYYLFMITHV-DGADGQDISA-N 1 0 318.421 3.301 20 5 DGBDRO CC(C)CC[C@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000599068789 400947923 /nfs/dbraw/zinc/94/79/23/400947923.db2.gz PINXHXHCXYNZPN-GOEBONIOSA-N 1 0 308.422 3.303 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000619746367 400897336 /nfs/dbraw/zinc/89/73/36/400897336.db2.gz PWZCZSFSXDIYNO-WDEREUQCSA-N 1 0 319.386 3.334 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599074485 400952258 /nfs/dbraw/zinc/95/22/58/400952258.db2.gz MTZCLWIGNZOTLV-QDEPRCCBSA-N 1 0 306.406 3.317 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073958 400952299 /nfs/dbraw/zinc/95/22/99/400952299.db2.gz ODQQIYYFMPAQIX-SUMWQHHRSA-N 1 0 303.406 3.262 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccsc1 ZINC000619782659 400906489 /nfs/dbraw/zinc/90/64/89/400906489.db2.gz IXBCKMRBASDBLD-NSHDSACASA-N 1 0 319.386 3.254 20 5 DGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ncccc2[N+](=O)[O-])C1 ZINC000079927312 400907077 /nfs/dbraw/zinc/90/70/77/400907077.db2.gz LIKNUSDRCJUJQG-KBPBESRZSA-N 1 0 306.410 3.160 20 5 DGBDRO CN(C)c1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000619785402 400907146 /nfs/dbraw/zinc/90/71/46/400907146.db2.gz CFUFHPJHRSELKP-UHFFFAOYSA-N 1 0 313.401 3.335 20 5 DGBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@]2(C1)CCCOC2 ZINC000599074713 400952590 /nfs/dbraw/zinc/95/25/90/400952590.db2.gz VPLUIDJMPQSKBP-QGZVFWFLSA-N 1 0 313.357 3.150 20 5 DGBDRO Cc1ccc([C@@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965667 400914973 /nfs/dbraw/zinc/91/49/73/400914973.db2.gz OIMKDHOYCBBUOU-UKRRQHHQSA-N 1 0 305.422 3.427 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCCOC1 ZINC000598985666 400921027 /nfs/dbraw/zinc/92/10/27/400921027.db2.gz YCHYRVVTOIMOMH-BAAYTWLHSA-N 1 0 304.390 3.404 20 5 DGBDRO COc1ccc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000598995393 400923361 /nfs/dbraw/zinc/92/33/61/400923361.db2.gz UGMUGMZJPCOZQQ-KRWDZBQOSA-N 1 0 322.405 3.024 20 5 DGBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc2cnccc21 ZINC000599023282 400929781 /nfs/dbraw/zinc/92/97/81/400929781.db2.gz DNQBOUDNYDFZDT-KBPBESRZSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc2cnccc21 ZINC000599023285 400929987 /nfs/dbraw/zinc/92/99/87/400929987.db2.gz DNQBOUDNYDFZDT-UONOGXRCSA-N 1 0 312.373 3.182 20 5 DGBDRO COc1cc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000599163132 400982756 /nfs/dbraw/zinc/98/27/56/400982756.db2.gz BOUMVQRXQIPEQS-LBPRGKRZSA-N 1 0 323.368 3.171 20 5 DGBDRO C[C@](CO)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000237632328 400993501 /nfs/dbraw/zinc/99/35/01/400993501.db2.gz SWLSKAXGKCPAPX-PDFOZTTASA-N 1 0 312.369 3.105 20 5 DGBDRO CC(C)[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCCO1 ZINC000599085815 400955752 /nfs/dbraw/zinc/95/57/52/400955752.db2.gz FOLZFCMFVGBRLF-INIZCTEOSA-N 1 0 315.373 3.394 20 5 DGBDRO Cc1cc(NCC[C@H]2CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599117414 400964618 /nfs/dbraw/zinc/96/46/18/400964618.db2.gz SHTWIAKMHDGCRK-CYBMUJFWSA-N 1 0 315.373 3.102 20 5 DGBDRO C[N@@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000599140327 400972798 /nfs/dbraw/zinc/97/27/98/400972798.db2.gz UUNHGOBWKNAFRG-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCC1 ZINC000594493840 401077822 /nfs/dbraw/zinc/07/78/22/401077822.db2.gz NJXFDILRPXPGAQ-CJNGLKHVSA-N 1 0 303.406 3.046 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(CO)CCCCC1 ZINC000594498240 401081684 /nfs/dbraw/zinc/08/16/84/401081684.db2.gz IHCHFCAPXUBHES-HNNXBMFYSA-N 1 0 304.390 3.115 20 5 DGBDRO CN1Cc2ccccc2[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594503111 401082312 /nfs/dbraw/zinc/08/23/12/401082312.db2.gz SPAWXSALKHMRGQ-ROUUACIJSA-N 1 0 323.396 3.358 20 5 DGBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@@H+]1C ZINC000255020091 401102070 /nfs/dbraw/zinc/10/20/70/401102070.db2.gz GVFJOUPLDPHVNB-KMDWOBIYSA-N 1 0 317.433 3.414 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CCCC[NH+](C)C ZINC000615551707 401102801 /nfs/dbraw/zinc/10/28/01/401102801.db2.gz QCERIYPHYAMFKB-UHFFFAOYSA-N 1 0 322.409 3.017 20 5 DGBDRO C[C@]12CCCC[C@H]1C[N@@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599669102 401108341 /nfs/dbraw/zinc/10/83/41/401108341.db2.gz BCYHYPFPZGAUJB-GUYCJALGSA-N 1 0 317.389 3.188 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000060569146 401127354 /nfs/dbraw/zinc/12/73/54/401127354.db2.gz OBQMGFHHBQOQHE-UHFFFAOYSA-N 1 0 317.433 3.293 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000594612426 401134204 /nfs/dbraw/zinc/13/42/04/401134204.db2.gz KFFAMLQVMWRAEG-CLFYSBASSA-N 1 0 317.433 3.414 20 5 DGBDRO CC1(C)CCC[C@](CO)([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599593429 401088337 /nfs/dbraw/zinc/08/83/37/401088337.db2.gz DGWXWUSCBSOICK-KRWDZBQOSA-N 1 0 306.406 3.058 20 5 DGBDRO C[NH+](C)CC1CN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000615513578 401093617 /nfs/dbraw/zinc/09/36/17/401093617.db2.gz VIPUWQNZOAHEPN-UHFFFAOYSA-N 1 0 319.408 3.022 20 5 DGBDRO Cc1cccc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000280647860 401152466 /nfs/dbraw/zinc/15/24/66/401152466.db2.gz RVKNCMWFKVILDV-CQSZACIVSA-N 1 0 313.401 3.452 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)CC(C)(C)C ZINC000615835581 401161559 /nfs/dbraw/zinc/16/15/59/401161559.db2.gz STJLXKMXEBRYRS-GXDHUFHOSA-N 1 0 306.406 3.339 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](CO)CCSC)c1cccc([N+](=O)[O-])c1 ZINC000358292180 286022244 /nfs/dbraw/zinc/02/22/44/286022244.db2.gz HCADOMFKBXDNIB-UKRRQHHQSA-N 1 0 312.435 3.140 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOc1ccccc1 ZINC000595004285 401225267 /nfs/dbraw/zinc/22/52/67/401225267.db2.gz OLBVLJXWPQRWSK-ZDUSSCGKSA-N 1 0 316.357 3.333 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000088701937 401205704 /nfs/dbraw/zinc/20/57/04/401205704.db2.gz AAYUBUKSWUUHEX-UHFFFAOYSA-N 1 0 305.422 3.460 20 5 DGBDRO Cc1ncc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000089581059 401226945 /nfs/dbraw/zinc/22/69/45/401226945.db2.gz VAEOAYCPTUIPIY-SNVBAGLBSA-N 1 0 307.375 3.089 20 5 DGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010129 401229242 /nfs/dbraw/zinc/22/92/42/401229242.db2.gz BVOCQBJGIJZIDQ-RWMBFGLXSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)C[NH+]1CCCCC1 ZINC000595008964 401229674 /nfs/dbraw/zinc/22/96/74/401229674.db2.gz WTPQWMILVKVRIT-ZIAGYGMSSA-N 1 0 321.421 3.128 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000595010605 401230054 /nfs/dbraw/zinc/23/00/54/401230054.db2.gz CONZJPKTDRIJIW-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccc(C)nc1 ZINC000595014572 401232364 /nfs/dbraw/zinc/23/23/64/401232364.db2.gz BLCHPFJVBDSKDP-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595017548 401233933 /nfs/dbraw/zinc/23/39/33/401233933.db2.gz JHVIDSCFFKGRBZ-ABAIWWIYSA-N 1 0 310.394 3.051 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020080 401235808 /nfs/dbraw/zinc/23/58/08/401235808.db2.gz TVNIQOFMWAXOJI-ZFWWWQNUSA-N 1 0 321.421 3.128 20 5 DGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000064916248 401254401 /nfs/dbraw/zinc/25/44/01/401254401.db2.gz WPRVAMNRMUTWOE-UHFFFAOYSA-N 1 0 303.337 3.278 20 5 DGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000064915939 401254749 /nfs/dbraw/zinc/25/47/49/401254749.db2.gz QUGDLNITFXWOCS-DZGCQCFKSA-N 1 0 312.373 3.237 20 5 DGBDRO COc1ccc2c(c1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000065164728 401258733 /nfs/dbraw/zinc/25/87/33/401258733.db2.gz YCHNFTVHOOBFEN-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO CC[C@@H]([NH2+]CCNc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000358395794 286050390 /nfs/dbraw/zinc/05/03/90/286050390.db2.gz IMUVPTMFZNJZSN-MRXNPFEDSA-N 1 0 314.389 3.451 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000340539404 286245399 /nfs/dbraw/zinc/24/53/99/286245399.db2.gz ZGNDLPJMXPNJTC-NWDGAFQWSA-N 1 0 301.346 3.410 20 5 DGBDRO CCC(=O)c1ccc(NC[C@@H](CC)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000359443137 286309781 /nfs/dbraw/zinc/30/97/81/286309781.db2.gz ARKIXNZUUXAOMI-CQSZACIVSA-N 1 0 319.405 3.474 20 5 DGBDRO CCCN(CC[NH+](CC)CC)Cc1ccc([N+](=O)[O-])cc1F ZINC000359580134 286340656 /nfs/dbraw/zinc/34/06/56/286340656.db2.gz UPBHMSPIIYGZEV-UHFFFAOYSA-N 1 0 311.401 3.288 20 5 DGBDRO Cc1c(CNCc2nccn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000359809367 286384369 /nfs/dbraw/zinc/38/43/69/286384369.db2.gz ZLRSFZIYZHDZSZ-UHFFFAOYSA-N 1 0 322.368 3.379 20 5 DGBDRO Cc1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000359952295 286396228 /nfs/dbraw/zinc/39/62/28/286396228.db2.gz LDGKUDQKCRSSPN-CHWSQXEVSA-N 1 0 307.369 3.105 20 5 DGBDRO Cn1cc(-c2ccccc2C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000361215933 286625529 /nfs/dbraw/zinc/62/55/29/286625529.db2.gz FNWIHPODMJVWIR-UHFFFAOYSA-N 1 0 322.368 3.285 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000152216495 287062204 /nfs/dbraw/zinc/06/22/04/287062204.db2.gz UQQLSIPTSLWIGO-CAPXZKIUSA-N 1 0 302.374 3.203 20 5 DGBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176262241 164776738 /nfs/dbraw/zinc/77/67/38/164776738.db2.gz NLDNRZNUDCMFQS-INIZCTEOSA-N 1 0 314.389 3.327 20 5 DGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000185653068 165011112 /nfs/dbraw/zinc/01/11/12/165011112.db2.gz SLLBQBYFTLBIMZ-DOMZBBRYSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000262375371 165800417 /nfs/dbraw/zinc/80/04/17/165800417.db2.gz YCFTYQDLGKZMKT-UHFFFAOYSA-N 1 0 323.824 3.212 20 5 DGBDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366026374 287201639 /nfs/dbraw/zinc/20/16/39/287201639.db2.gz UNFWGXCMZJSDOB-KGLIPLIRSA-N 1 0 306.410 3.255 20 5 DGBDRO C[C@@H]1CSCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000190468303 432161127 /nfs/dbraw/zinc/16/11/27/432161127.db2.gz JRWYPLQUFRCDCK-ZDUSSCGKSA-N 1 0 310.419 3.049 20 5 DGBDRO C[C@@H]1CSCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190425493 432155343 /nfs/dbraw/zinc/15/53/43/432155343.db2.gz SDXWDKXMZHDUNC-JTQLQIEISA-N 1 0 300.811 3.433 20 5 DGBDRO C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[C@H]1[NH3+] ZINC000269244475 432155596 /nfs/dbraw/zinc/15/55/96/432155596.db2.gz DJAJVHUUMIMVCT-SCLBCKFNSA-N 1 0 319.408 3.197 20 5 DGBDRO C[C@]1(O)CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000129509654 196053861 /nfs/dbraw/zinc/05/38/61/196053861.db2.gz MFOUCYHRECWNAF-KRWDZBQOSA-N 1 0 316.357 3.202 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@@H](C)C1 ZINC000190452125 432159024 /nfs/dbraw/zinc/15/90/24/432159024.db2.gz LTKQXFFHQQBJCG-LBPRGKRZSA-N 1 0 310.419 3.178 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000246942684 432182744 /nfs/dbraw/zinc/18/27/44/432182744.db2.gz QVGPCVKSGLRFSP-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150812972 432193311 /nfs/dbraw/zinc/19/33/11/432193311.db2.gz CFBRTHQQDKLTMR-CYBMUJFWSA-N 1 0 323.824 3.166 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000269687172 432197408 /nfs/dbraw/zinc/19/74/08/432197408.db2.gz SXSHSGUAKRZKKY-ZWKOTPCHSA-N 1 0 312.369 3.465 20 5 DGBDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2OC)cc1[N+](=O)[O-] ZINC000151025108 432211687 /nfs/dbraw/zinc/21/16/87/432211687.db2.gz ABYMQDGIMDQOAQ-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000247267381 432216659 /nfs/dbraw/zinc/21/66/59/432216659.db2.gz ZQFWVUOKDVKOKE-KSZLIROESA-N 1 0 312.369 3.294 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000151117224 432221201 /nfs/dbraw/zinc/22/12/01/432221201.db2.gz CFJAEFSWEFTVPU-GJZGRUSLSA-N 1 0 305.422 3.286 20 5 DGBDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000133794166 196336529 /nfs/dbraw/zinc/33/65/29/196336529.db2.gz OKQSRZVSZWXZRO-MRXNPFEDSA-N 1 0 314.389 3.245 20 5 DGBDRO Cc1ccccc1CC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295776118 225223002 /nfs/dbraw/zinc/22/30/02/225223002.db2.gz SZMHNOTUVWIRPC-GOSISDBHSA-N 1 0 314.385 3.111 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000298156759 228387307 /nfs/dbraw/zinc/38/73/07/228387307.db2.gz DUEWVPGAHAWICX-WZRBSPASSA-N 1 0 305.378 3.103 20 5 DGBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC1([NH+](C)C)CCC1 ZINC000186953663 228418344 /nfs/dbraw/zinc/41/83/44/228418344.db2.gz LQETVPDCTISAOQ-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)CCC2 ZINC000192894693 228557421 /nfs/dbraw/zinc/55/74/21/228557421.db2.gz HSTHMORVWHFQIG-YLQAJVPDSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc(CCN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000299472093 229139328 /nfs/dbraw/zinc/13/93/28/229139328.db2.gz BARUHKBAUGTNOR-UHFFFAOYSA-N 1 0 317.433 3.088 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000301201369 229557582 /nfs/dbraw/zinc/55/75/82/229557582.db2.gz QIQSKNKEXCGWHI-ZIAGYGMSSA-N 1 0 320.437 3.468 20 5 DGBDRO Cc1cc(N2CCC[C@@H]([C@H](C)O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302058213 230071813 /nfs/dbraw/zinc/07/18/13/230071813.db2.gz BKYKMCZFOOZAIM-QWHCGFSZSA-N 1 0 315.373 3.049 20 5 DGBDRO Cc1cc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000302065247 230075589 /nfs/dbraw/zinc/07/55/89/230075589.db2.gz VUUIKRXNUJFTBE-KBPBESRZSA-N 1 0 318.421 3.363 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000186361213 263655993 /nfs/dbraw/zinc/65/59/93/263655993.db2.gz ADJOLOIXZLHCOQ-GDBMZVCRSA-N 1 0 310.369 3.417 20 5 DGBDRO CCc1ccc([C@H]([NH2+]CC[C@H](C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346568495 264056289 /nfs/dbraw/zinc/05/62/89/264056289.db2.gz TYZFHECKPLJLFQ-YVEFUNNKSA-N 1 0 318.373 3.200 20 5 DGBDRO O=[N+]([O-])c1ccccc1NCCNc1cc[nH+]c2ccccc12 ZINC000346606583 264064439 /nfs/dbraw/zinc/06/44/39/264064439.db2.gz GVVXVUNGVCPYGE-UHFFFAOYSA-N 1 0 308.341 3.089 20 5 DGBDRO C[C@H]1[NH2+]CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C ZINC000346691477 264080824 /nfs/dbraw/zinc/08/08/24/264080824.db2.gz VZMCLLARNSMUQP-CHWSQXEVSA-N 1 0 315.373 3.037 20 5 DGBDRO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000346793509 264098463 /nfs/dbraw/zinc/09/84/63/264098463.db2.gz KZEASEMHMJMVPS-CYBMUJFWSA-N 1 0 310.357 3.295 20 5 DGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000347322304 264196651 /nfs/dbraw/zinc/19/66/51/264196651.db2.gz UXYAIEBBCWXJTR-BLLLJJGKSA-N 1 0 323.824 3.307 20 5 DGBDRO CC(C)C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccs1 ZINC000347601993 264250128 /nfs/dbraw/zinc/25/01/28/264250128.db2.gz BUTNCKAELLQSJD-LLVKDONJSA-N 1 0 308.407 3.267 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnn2)c1 ZINC000348065288 264333075 /nfs/dbraw/zinc/33/30/75/264333075.db2.gz BYLJUCTWVPQMFC-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000352393039 265031098 /nfs/dbraw/zinc/03/10/98/265031098.db2.gz XXPJQQQTWXWXEE-CYBMUJFWSA-N 1 0 322.409 3.145 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000352680729 265125835 /nfs/dbraw/zinc/12/58/35/265125835.db2.gz UYFFYUDQMZPZLU-INIZCTEOSA-N 1 0 322.405 3.023 20 5 DGBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4c(Cl)cccc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000352682950 265128151 /nfs/dbraw/zinc/12/81/51/265128151.db2.gz RTXREWVTWGYXGH-WQFFQYHTSA-N 1 0 322.792 3.103 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000352714177 265138841 /nfs/dbraw/zinc/13/88/41/265138841.db2.gz ANVHAOHJEHXGTK-MRXNPFEDSA-N 1 0 321.396 3.184 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+](CCO)CC3CC3)o2)c1 ZINC000352756386 265154710 /nfs/dbraw/zinc/15/47/10/265154710.db2.gz PWPFVHLNDSXUMC-UHFFFAOYSA-N 1 0 316.357 3.059 20 5 DGBDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000352791833 265169706 /nfs/dbraw/zinc/16/97/06/265169706.db2.gz JGZOKBMKTSGASA-ZBFHGGJFSA-N 1 0 314.389 3.265 20 5 DGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352816706 265178575 /nfs/dbraw/zinc/17/85/75/265178575.db2.gz QAPXXUUQDSOBJE-IUODEOHRSA-N 1 0 323.824 3.307 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000352857987 265200157 /nfs/dbraw/zinc/20/01/57/265200157.db2.gz MELBNLOZVQHPCB-HYXAFXHYSA-N 1 0 312.373 3.211 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353017272 265267091 /nfs/dbraw/zinc/26/70/91/265267091.db2.gz BROHBFAILQCPOC-MNOVXSKESA-N 1 0 300.305 3.217 20 5 DGBDRO Cn1ccnc1[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000353046529 265279464 /nfs/dbraw/zinc/27/94/64/265279464.db2.gz KRHXWNDXGDVNIZ-DQOPKJQZSA-N 1 0 312.373 3.082 20 5 DGBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355341620 266044016 /nfs/dbraw/zinc/04/40/16/266044016.db2.gz XICAUVHZERBJPX-HNNXBMFYSA-N 1 0 316.405 3.090 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000355601508 266129463 /nfs/dbraw/zinc/12/94/63/266129463.db2.gz SIYNPVLGBHVCJT-CYBMUJFWSA-N 1 0 322.409 3.063 20 5 DGBDRO CC1(C)CCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191308805 432248992 /nfs/dbraw/zinc/24/89/92/432248992.db2.gz CLTGUEDBXWGSBL-AWEZNQCLSA-N 1 0 305.378 3.092 20 5 DGBDRO CC[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000359890869 271010887 /nfs/dbraw/zinc/01/08/87/271010887.db2.gz XPVDQUNVNRBKEY-OAHLLOKOSA-N 1 0 321.421 3.067 20 5 DGBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000368054203 271124624 /nfs/dbraw/zinc/12/46/24/271124624.db2.gz CUZLCQGUXIEXBX-OAHLLOKOSA-N 1 0 312.797 3.089 20 5 DGBDRO COC[C@@H]1CCCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000368658481 271188307 /nfs/dbraw/zinc/18/83/07/271188307.db2.gz JHQJXCWZMSMKFV-RZIFZGNASA-N 1 0 304.390 3.357 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000368774964 271206111 /nfs/dbraw/zinc/20/61/11/271206111.db2.gz LZEMKKROXOFLDP-IAGOWNOFSA-N 1 0 304.390 3.198 20 5 DGBDRO C[N@@H+]1CCCC12CCN(c1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000368882153 271217987 /nfs/dbraw/zinc/21/79/87/271217987.db2.gz LUAINRLZTOBDBG-UHFFFAOYSA-N 1 0 309.797 3.313 20 5 DGBDRO Cc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000369556254 271291734 /nfs/dbraw/zinc/29/17/34/271291734.db2.gz KKRFAQLZLPERDJ-UHFFFAOYSA-N 1 0 314.389 3.245 20 5 DGBDRO Cc1cc(F)ccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369681801 271309216 /nfs/dbraw/zinc/30/92/16/271309216.db2.gz QCWQXRVWAMXPLM-UHFFFAOYSA-N 1 0 318.352 3.076 20 5 DGBDRO C[C@H]1CCC[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000369681470 271310138 /nfs/dbraw/zinc/31/01/38/271310138.db2.gz MHBVSAJEUGYBDX-KBPBESRZSA-N 1 0 306.410 3.255 20 5 DGBDRO C[C@H]1CCC[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000369681472 271310455 /nfs/dbraw/zinc/31/04/55/271310455.db2.gz MHBVSAJEUGYBDX-UONOGXRCSA-N 1 0 306.410 3.255 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCC3)CC2)c2c(c1)COCO2 ZINC000370736408 271387215 /nfs/dbraw/zinc/38/72/15/271387215.db2.gz FOERUWVGXHDPQX-UHFFFAOYSA-N 1 0 318.373 3.227 20 5 DGBDRO CC(C)C[NH+]1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302670709 273510983 /nfs/dbraw/zinc/51/09/83/273510983.db2.gz KLCPBAQMPILNRE-UHFFFAOYSA-N 1 0 318.421 3.095 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000450866858 273744287 /nfs/dbraw/zinc/74/42/87/273744287.db2.gz YMJUQLRZKJBQQY-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO CO[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417350319 274061451 /nfs/dbraw/zinc/06/14/51/274061451.db2.gz PIFUPFSKMVIGML-IRXDYDNUSA-N 1 0 304.390 3.377 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000447588440 274069870 /nfs/dbraw/zinc/06/98/70/274069870.db2.gz UMWLSVFVPLBFFA-ARFHVFGLSA-N 1 0 304.390 3.375 20 5 DGBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])s1)[N@H+](C)Cc1ccccc1 ZINC000192474425 274209923 /nfs/dbraw/zinc/20/99/23/274209923.db2.gz GQJMEOFTDKAITE-LBPRGKRZSA-N 1 0 320.418 3.374 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000279056529 274261374 /nfs/dbraw/zinc/26/13/74/274261374.db2.gz KNIROBOXGLITTN-BZNIZROVSA-N 1 0 314.389 3.402 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000449285837 274310921 /nfs/dbraw/zinc/31/09/21/274310921.db2.gz SYPUCSGSKMKLBK-JTNHKYCSSA-N 1 0 302.378 3.385 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000467433184 274472406 /nfs/dbraw/zinc/47/24/06/274472406.db2.gz PBJWUAOQCSBAGV-MJBXVCDLSA-N 1 0 319.405 3.338 20 5 DGBDRO Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420200899 274710988 /nfs/dbraw/zinc/71/09/88/274710988.db2.gz ZTGUNXSNPDMDDZ-ONGXEEELSA-N 1 0 317.311 3.096 20 5 DGBDRO Cc1cc(N[C@@H]2CCCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181538742 274719411 /nfs/dbraw/zinc/71/94/11/274719411.db2.gz XEGKXBCFXKEMOB-GFCCVEGCSA-N 1 0 301.346 3.432 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2-n2cccn2)cc1 ZINC000237982699 275035663 /nfs/dbraw/zinc/03/56/63/275035663.db2.gz MQYRDDHNDPOUQW-UHFFFAOYSA-N 1 0 308.341 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000150894936 275036196 /nfs/dbraw/zinc/03/61/96/275036196.db2.gz UWXDZENDOOYGTA-ZDUSSCGKSA-N 1 0 307.369 3.189 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCOC1)CCCC2 ZINC000417341670 275038290 /nfs/dbraw/zinc/03/82/90/275038290.db2.gz ODVZZBATXKLBIU-CXAGYDPISA-N 1 0 304.390 3.379 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC12CCC[NH+]1CCC2 ZINC000450491809 275039580 /nfs/dbraw/zinc/03/95/80/275039580.db2.gz QJCZIFKPBZOCIO-UHFFFAOYSA-N 1 0 312.373 3.183 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1cscn1)C1CC1 ZINC000450597748 275039810 /nfs/dbraw/zinc/03/98/10/275039810.db2.gz HYKMRHFSXILKCM-UHFFFAOYSA-N 1 0 303.387 3.258 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000344858559 275398508 /nfs/dbraw/zinc/39/85/08/275398508.db2.gz OQXMVMBZOJKLAJ-RNQWEJQRSA-N 1 0 303.406 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)nc1 ZINC000524684993 429631488 /nfs/dbraw/zinc/63/14/88/429631488.db2.gz PVYSSYOHPACSKS-OAHLLOKOSA-N 1 0 318.421 3.446 20 5 DGBDRO CCC(=O)c1ccc(NC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000450953303 275949984 /nfs/dbraw/zinc/94/99/84/275949984.db2.gz XTVXMZOCUWMMNX-UHFFFAOYSA-N 1 0 319.405 3.474 20 5 DGBDRO CC(C)c1ccc(CN[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415064474 276053461 /nfs/dbraw/zinc/05/34/61/276053461.db2.gz KTAFHBJXPSPQIK-INIZCTEOSA-N 1 0 305.422 3.325 20 5 DGBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413093054 276118301 /nfs/dbraw/zinc/11/83/01/276118301.db2.gz NHQSCKRZCROCBH-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CCN(CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000192803342 276132204 /nfs/dbraw/zinc/13/22/04/276132204.db2.gz SAOJTHZSDRUAFP-KRWDZBQOSA-N 1 0 303.406 3.046 20 5 DGBDRO CCC(CC)(CCO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449176887 276208523 /nfs/dbraw/zinc/20/85/23/276208523.db2.gz RBOQZHRGRDTVOT-AWEZNQCLSA-N 1 0 308.422 3.304 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)C1CCCCC1 ZINC000449207910 277594023 /nfs/dbraw/zinc/59/40/23/277594023.db2.gz RPUXIBZSPYDFLZ-WMLDXEAASA-N 1 0 320.433 3.447 20 5 DGBDRO CSCC[C@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433287400 278132007 /nfs/dbraw/zinc/13/20/07/278132007.db2.gz LIWUDGJRFUVOKK-IAQYHMDHSA-N 1 0 324.446 3.021 20 5 DGBDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279060596 278160025 /nfs/dbraw/zinc/16/00/25/278160025.db2.gz KWPTVVTWWBAJOG-COLVAYQJSA-N 1 0 324.446 3.019 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000279222975 278284669 /nfs/dbraw/zinc/28/46/69/278284669.db2.gz ZEDUSVNXJRKHAK-BFQNTYOBSA-N 1 0 306.406 3.314 20 5 DGBDRO CCCO[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000108392856 431137257 /nfs/dbraw/zinc/13/72/57/431137257.db2.gz YOMLKEQEMLHEBC-MRXNPFEDSA-N 1 0 322.405 3.255 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000449209891 279382300 /nfs/dbraw/zinc/38/23/00/279382300.db2.gz RCIOKCGZSBOTPH-UOJCXKCYSA-N 1 0 316.401 3.073 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000068836979 431145275 /nfs/dbraw/zinc/14/52/75/431145275.db2.gz JVAHPCOPGATKGP-MRXNPFEDSA-N 1 0 303.337 3.449 20 5 DGBDRO CC(C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000111385534 431220309 /nfs/dbraw/zinc/22/03/09/431220309.db2.gz YPUPETSIYUDMRX-UHFFFAOYSA-N 1 0 306.387 3.184 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC(C)C)C(C)C ZINC000072561031 431339430 /nfs/dbraw/zinc/33/94/30/431339430.db2.gz MSQCQYWNLCUEPP-UHFFFAOYSA-N 1 0 307.394 3.208 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCC(C)C)C1CC1 ZINC000072559794 431340754 /nfs/dbraw/zinc/34/07/54/431340754.db2.gz NPQKOZOMPYMJQL-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000074330169 431412560 /nfs/dbraw/zinc/41/25/60/431412560.db2.gz NMXNVQYVQGQNBC-UHFFFAOYSA-N 1 0 321.421 3.142 20 5 DGBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc2ccccc2c2cccnc12 ZINC000364182913 279882032 /nfs/dbraw/zinc/88/20/32/279882032.db2.gz NZGFCLCPGNQRKO-OAHLLOKOSA-N 1 0 319.408 3.260 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000117394847 431559745 /nfs/dbraw/zinc/55/97/45/431559745.db2.gz FDGZPZOXHJZMPP-STQMWFEESA-N 1 0 310.419 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)cc1 ZINC000077220977 431575161 /nfs/dbraw/zinc/57/51/61/431575161.db2.gz CEVMNAKTIPUVNC-UHFFFAOYSA-N 1 0 308.341 3.275 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289661888 280362856 /nfs/dbraw/zinc/36/28/56/280362856.db2.gz UJQJMLCJZHETET-IAGOWNOFSA-N 1 0 316.401 3.171 20 5 DGBDRO CC[NH+](CC)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000020554890 431627012 /nfs/dbraw/zinc/62/70/12/431627012.db2.gz SKENTRQVIVDJLF-UHFFFAOYSA-N 1 0 316.199 3.111 20 5 DGBDRO CC(C)CO[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000119551482 431707651 /nfs/dbraw/zinc/70/76/51/431707651.db2.gz GWRGXFIKKSLRPD-KRWDZBQOSA-N 1 0 322.405 3.111 20 5 DGBDRO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000030144797 431734231 /nfs/dbraw/zinc/73/42/31/431734231.db2.gz PIEYCNWWGWLZIQ-KBPBESRZSA-N 1 0 319.405 3.352 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000122134721 431813259 /nfs/dbraw/zinc/81/32/59/431813259.db2.gz JLIDDUPYONRFEX-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563103 431847768 /nfs/dbraw/zinc/84/77/68/431847768.db2.gz YYVHUGAANFAJDY-LLVKDONJSA-N 1 0 306.387 3.473 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000122977236 431850645 /nfs/dbraw/zinc/85/06/45/431850645.db2.gz CFOAYFIXHQUVGQ-STQMWFEESA-N 1 0 305.378 3.105 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000123605106 431869611 /nfs/dbraw/zinc/86/96/11/431869611.db2.gz ITXOJXNWGMFFSP-GUYCJALGSA-N 1 0 300.358 3.287 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000093820393 431917783 /nfs/dbraw/zinc/91/77/83/431917783.db2.gz GSOWYNYBIIQABC-KRWDZBQOSA-N 1 0 304.390 3.331 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](COC)C2CC2)cc1[N+](=O)[O-] ZINC000090717088 431894471 /nfs/dbraw/zinc/89/44/71/431894471.db2.gz KSSSXBMUZBANRQ-FZMZJTMJSA-N 1 0 308.378 3.069 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCCCC2)c(Cl)c1 ZINC000050106576 431946915 /nfs/dbraw/zinc/94/69/15/431946915.db2.gz JJTQDZYBOCISMV-UHFFFAOYSA-N 1 0 312.797 3.375 20 5 DGBDRO CCc1cc(NCCn2cc([N+](=O)[O-])cn2)c2ccccc2[nH+]1 ZINC000126395334 431949087 /nfs/dbraw/zinc/94/90/87/431949087.db2.gz IBHOQPVFHZKGRO-UHFFFAOYSA-N 1 0 311.345 3.014 20 5 DGBDRO COc1ccccc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051372944 431950904 /nfs/dbraw/zinc/95/09/04/431950904.db2.gz RWZYATOPPHTURY-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000053814166 431965640 /nfs/dbraw/zinc/96/56/40/431965640.db2.gz HXPWLUNMHVMACC-UHFFFAOYSA-N 1 0 311.769 3.061 20 5 DGBDRO Cc1cccc(N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000302463317 281224349 /nfs/dbraw/zinc/22/43/49/281224349.db2.gz AQKAIMMSBPRKQS-UHFFFAOYSA-N 1 0 305.422 3.461 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(CO)c1 ZINC000183236448 432272943 /nfs/dbraw/zinc/27/29/43/432272943.db2.gz NADHSBJCLDUCAI-STQMWFEESA-N 1 0 300.358 3.499 20 5 DGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000191599200 432281347 /nfs/dbraw/zinc/28/13/47/432281347.db2.gz IIYNJVJXZSXCQM-RHSMWYFYSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000191605842 432282968 /nfs/dbraw/zinc/28/29/68/432282968.db2.gz LCLVDSKYAFSFTL-RHSMWYFYSA-N 1 0 314.385 3.157 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCOCC2)cc1[N+](=O)[O-] ZINC000183346323 432284301 /nfs/dbraw/zinc/28/43/01/432284301.db2.gz QWZDTMHHVFBIAS-OCCSQVGLSA-N 1 0 308.378 3.213 20 5 DGBDRO CC(C)[NH+](CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000173556165 432288348 /nfs/dbraw/zinc/28/83/48/432288348.db2.gz HJXQQVZZEOQAKS-UHFFFAOYSA-N 1 0 322.409 3.225 20 5 DGBDRO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829335 432323077 /nfs/dbraw/zinc/32/30/77/432323077.db2.gz GZXPFINDAJCZQM-FSPWUOQZSA-N 1 0 317.433 3.291 20 5 DGBDRO CC[C@H](O)CC[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271074569 432325925 /nfs/dbraw/zinc/32/59/25/432325925.db2.gz GBYQUCYTWLAFER-STQMWFEESA-N 1 0 312.435 3.216 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCOCC2CC2)cc1[N+](=O)[O-] ZINC000271071099 432326674 /nfs/dbraw/zinc/32/66/74/432326674.db2.gz FDIVQSHUDOKPPD-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000271123872 432331802 /nfs/dbraw/zinc/33/18/02/432331802.db2.gz KAEXVSYXSZLPPV-BLLLJJGKSA-N 1 0 310.394 3.195 20 5 DGBDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000271123873 432332754 /nfs/dbraw/zinc/33/27/54/432332754.db2.gz KAEXVSYXSZLPPV-LRDDRELGSA-N 1 0 310.394 3.195 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H](C)CC1 ZINC000192184092 432342511 /nfs/dbraw/zinc/34/25/11/432342511.db2.gz KNDIOTLZYTXZSO-LBPRGKRZSA-N 1 0 310.419 3.321 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000271184041 432345655 /nfs/dbraw/zinc/34/56/55/432345655.db2.gz YZQFIGBFHUHNFN-JKNJVXJCSA-N 1 0 315.417 3.168 20 5 DGBDRO CC[C@]1(CO)CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000249593919 432352454 /nfs/dbraw/zinc/35/24/54/432352454.db2.gz WFJOLTVUKLTTJV-PBHICJAKSA-N 1 0 306.406 3.449 20 5 DGBDRO Cc1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000271209464 432354832 /nfs/dbraw/zinc/35/48/32/432354832.db2.gz UAAKUNDNPUSYLS-UHFFFAOYSA-N 1 0 300.362 3.006 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000174823145 432373560 /nfs/dbraw/zinc/37/35/60/432373560.db2.gz KDPPRCQQKVNPOL-HNNXBMFYSA-N 1 0 320.780 3.282 20 5 DGBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000192486448 432380121 /nfs/dbraw/zinc/38/01/21/432380121.db2.gz JWHPETSYUBTYNA-AAEUAGOBSA-N 1 0 318.402 3.126 20 5 DGBDRO C[N@H+](CCc1ccccn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153058192 432381233 /nfs/dbraw/zinc/38/12/33/432381233.db2.gz FBJPKLZPCYPYEK-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO C[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000271408294 432389300 /nfs/dbraw/zinc/38/93/00/432389300.db2.gz YDKMUWVOWYTWNK-XJKSGUPXSA-N 1 0 304.390 3.140 20 5 DGBDRO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000271425148 432392851 /nfs/dbraw/zinc/39/28/51/432392851.db2.gz CNSFMBLZKDICLW-MEDUHNTESA-N 1 0 304.321 3.118 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192623274 432393661 /nfs/dbraw/zinc/39/36/61/432393661.db2.gz LVIVOVSUQTXHAI-OCCSQVGLSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000192630605 432394785 /nfs/dbraw/zinc/39/47/85/432394785.db2.gz PPTHVWQXEVFNQJ-XJKSGUPXSA-N 1 0 319.405 3.068 20 5 DGBDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000184474735 432396501 /nfs/dbraw/zinc/39/65/01/432396501.db2.gz PDCGBUFOGMMGGQ-HNNXBMFYSA-N 1 0 320.389 3.149 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)CC1 ZINC000249842744 432359263 /nfs/dbraw/zinc/35/92/63/432359263.db2.gz YHUJUZXJOAEXMY-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000271493512 432406956 /nfs/dbraw/zinc/40/69/56/432406956.db2.gz JOIGNSHMBBWXFH-XUXNBKRGSA-N 1 0 304.390 3.401 20 5 DGBDRO CSc1ccc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCCC3)no2)c1 ZINC000261770815 432448664 /nfs/dbraw/zinc/44/86/64/432448664.db2.gz NBVNNEDSDXVMGV-UHFFFAOYSA-N 1 0 320.374 3.095 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000271532714 432417237 /nfs/dbraw/zinc/41/72/37/432417237.db2.gz MNUJFCAODJJRDG-BXUZGUMPSA-N 1 0 306.362 3.224 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cccc1[N+](=O)[O-] ZINC000154097846 432472259 /nfs/dbraw/zinc/47/22/59/432472259.db2.gz XRVQBNZOROHZEN-CJNGLKHVSA-N 1 0 317.389 3.450 20 5 DGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175868704 432473275 /nfs/dbraw/zinc/47/32/75/432473275.db2.gz WBAJGNMOMCAYSU-AWEZNQCLSA-N 1 0 306.362 3.130 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccn(C)c2)cc1[N+](=O)[O-] ZINC000154122149 432473975 /nfs/dbraw/zinc/47/39/75/432473975.db2.gz YSNWJVUPQVCCIM-LBPRGKRZSA-N 1 0 303.362 3.183 20 5 DGBDRO CC(C)([NH2+]Cc1ccc2c[nH]nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000175986560 432483514 /nfs/dbraw/zinc/48/35/14/432483514.db2.gz ZJOXESOBGNSLFJ-UHFFFAOYSA-N 1 0 310.357 3.496 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](C)[C@@H](CO)SC)c1cccc([N+](=O)[O-])c1 ZINC000154282004 432487842 /nfs/dbraw/zinc/48/78/42/432487842.db2.gz UQUQPBLCOSZSOI-NILFDRSVSA-N 1 0 312.435 3.138 20 5 DGBDRO Cc1ccc([C@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176262256 432505201 /nfs/dbraw/zinc/50/52/01/432505201.db2.gz NLDNRZNUDCMFQS-MRXNPFEDSA-N 1 0 314.389 3.327 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](CO)C3)o2)c1 ZINC000154587445 432507229 /nfs/dbraw/zinc/50/72/29/432507229.db2.gz LEJKDDFVQFTSCF-CYBMUJFWSA-N 1 0 316.357 3.059 20 5 DGBDRO CC1(C)CCC[NH2+][C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000261943352 432461519 /nfs/dbraw/zinc/46/15/19/432461519.db2.gz VAHURQASDOKCOS-INIZCTEOSA-N 1 0 314.389 3.333 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000154001917 432461940 /nfs/dbraw/zinc/46/19/40/432461940.db2.gz OWKUSNJVEQLYGI-MBNYWOFBSA-N 1 0 308.378 3.069 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(CO)CCCC1)CCC2 ZINC000193300522 432463478 /nfs/dbraw/zinc/46/34/78/432463478.db2.gz YTPAHXWTDBRJFP-MRXNPFEDSA-N 1 0 304.390 3.115 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1Cl ZINC000155476275 432557175 /nfs/dbraw/zinc/55/71/75/432557175.db2.gz QEXDYCXNUHICPV-IUODEOHRSA-N 1 0 310.781 3.249 20 5 DGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000263640847 432560386 /nfs/dbraw/zinc/56/03/86/432560386.db2.gz BEWPONAVZISPRO-ZDUSSCGKSA-N 1 0 315.333 3.077 20 5 DGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185605545 432514905 /nfs/dbraw/zinc/51/49/05/432514905.db2.gz YCVOTZYBQQGORO-BXUZGUMPSA-N 1 0 316.361 3.265 20 5 DGBDRO CN(CC[NH+](C)C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000176386822 432518091 /nfs/dbraw/zinc/51/80/91/432518091.db2.gz KOJMLZUUQSEZPC-UHFFFAOYSA-N 1 0 307.397 3.022 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000185673987 432522565 /nfs/dbraw/zinc/52/25/65/432522565.db2.gz IJTINLIDBTYOCO-RDTXWAMCSA-N 1 0 313.401 3.376 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000185688212 432524569 /nfs/dbraw/zinc/52/45/69/432524569.db2.gz DKYZCMNMGWLTQG-KDOFPFPSSA-N 1 0 313.401 3.376 20 5 DGBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000272578025 432528055 /nfs/dbraw/zinc/52/80/55/432528055.db2.gz XMEDHKOGQUWENR-QWHCGFSZSA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000273194312 432564723 /nfs/dbraw/zinc/56/47/23/432564723.db2.gz HMZSVMMBDSISGU-KDOFPFPSSA-N 1 0 314.385 3.239 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc(O)cc1 ZINC000263729211 432570820 /nfs/dbraw/zinc/57/08/20/432570820.db2.gz XQDJAWKQNWVQDU-UHFFFAOYSA-N 1 0 316.357 3.031 20 5 DGBDRO C[NH+](C)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000263924044 432593795 /nfs/dbraw/zinc/59/37/95/432593795.db2.gz DLPLVJALSIXZPB-UHFFFAOYSA-N 1 0 319.386 3.013 20 5 DGBDRO COc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000177209814 432597302 /nfs/dbraw/zinc/59/73/02/432597302.db2.gz DBPQPTMZHKFCTM-BBRMVZONSA-N 1 0 322.430 3.463 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000186482023 432598291 /nfs/dbraw/zinc/59/82/91/432598291.db2.gz PXRMFQSBFUVWCT-CYBMUJFWSA-N 1 0 322.405 3.197 20 5 DGBDRO C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000264206936 432625926 /nfs/dbraw/zinc/62/59/26/432625926.db2.gz RGLQDIMBVQPFHV-GFCCVEGCSA-N 1 0 301.346 3.134 20 5 DGBDRO C[C@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000187930332 432693235 /nfs/dbraw/zinc/69/32/35/432693235.db2.gz JOHBREJOLXJJIB-LBPRGKRZSA-N 1 0 306.362 3.083 20 5 DGBDRO CCOC(=O)CCCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000265430846 432699832 /nfs/dbraw/zinc/69/98/32/432699832.db2.gz FPMXNORDHWYTHK-UHFFFAOYSA-N 1 0 308.378 3.150 20 5 DGBDRO C[C@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000265643938 432717371 /nfs/dbraw/zinc/71/73/71/432717371.db2.gz KBZJIANWILTFKV-SNVBAGLBSA-N 1 0 324.764 3.369 20 5 DGBDRO C[C@@H](CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000265651731 432719561 /nfs/dbraw/zinc/71/95/61/432719561.db2.gz NVHZZZPANCAUGS-NSHDSACASA-N 1 0 306.387 3.184 20 5 DGBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000178570403 432753483 /nfs/dbraw/zinc/75/34/83/432753483.db2.gz IGLSCVWPJXRULG-MSOLQXFVSA-N 1 0 312.369 3.248 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000236890953 432768663 /nfs/dbraw/zinc/76/86/63/432768663.db2.gz FISPXHAAGITBPP-JKSUJKDBSA-N 1 0 304.390 3.422 20 5 DGBDRO CC(C)(C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178429312 432734930 /nfs/dbraw/zinc/73/49/30/432734930.db2.gz MBNWCDCOPQFYSZ-HOTGVXAUSA-N 1 0 320.433 3.303 20 5 DGBDRO CCOC(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OCC ZINC000276204933 432782916 /nfs/dbraw/zinc/78/29/16/432782916.db2.gz KGGZIGAUBKHJQV-UHFFFAOYSA-N 1 0 316.785 3.127 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC(OC(C)(C)C)CC1 ZINC000162634006 432830212 /nfs/dbraw/zinc/83/02/12/432830212.db2.gz SKEJKAKQSAQHES-UHFFFAOYSA-N 1 0 322.405 3.383 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245455115 432833853 /nfs/dbraw/zinc/83/38/53/432833853.db2.gz HUHWILZLTOHHGR-RBSFLKMASA-N 1 0 305.422 3.366 20 5 DGBDRO CC(C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245493702 432837140 /nfs/dbraw/zinc/83/71/40/432837140.db2.gz MAYYXNFPFDTYKU-KGLIPLIRSA-N 1 0 319.405 3.290 20 5 DGBDRO CCOc1ccc([C@@H](C)NCC[N@H+](C)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000245508732 432837389 /nfs/dbraw/zinc/83/73/89/432837389.db2.gz SNHWJBBYEUQRJJ-ZIAGYGMSSA-N 1 0 323.437 3.374 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161530618 432785301 /nfs/dbraw/zinc/78/53/01/432785301.db2.gz KUGBMJHHYIKNLZ-AEFFLSMTSA-N 1 0 314.385 3.412 20 5 DGBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266777599 432786237 /nfs/dbraw/zinc/78/62/37/432786237.db2.gz LVSHBYDRZUMFDV-GUYCJALGSA-N 1 0 300.358 3.287 20 5 DGBDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000266770467 432787173 /nfs/dbraw/zinc/78/71/73/432787173.db2.gz JLQZVTYWCDOORW-NHYWBVRUSA-N 1 0 306.387 3.215 20 5 DGBDRO CCSc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000189595678 432802326 /nfs/dbraw/zinc/80/23/26/432802326.db2.gz JSVPJQPTXGUGRC-UHFFFAOYSA-N 1 0 303.387 3.392 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(CC[NH+](C)C)cc1 ZINC000276375414 432802786 /nfs/dbraw/zinc/80/27/86/432802786.db2.gz YBBYFAMYEXKYKG-UHFFFAOYSA-N 1 0 314.389 3.014 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000267079719 432811393 /nfs/dbraw/zinc/81/13/93/432811393.db2.gz XTCXHTFXQYCJAU-CQSZACIVSA-N 1 0 321.396 3.042 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000163324134 432849077 /nfs/dbraw/zinc/84/90/77/432849077.db2.gz UEUZTSTYJNKWKP-ZDUSSCGKSA-N 1 0 323.824 3.308 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000330650959 432922935 /nfs/dbraw/zinc/92/29/35/432922935.db2.gz JWOOTNOSQIPBAE-CHWSQXEVSA-N 1 0 305.378 3.105 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000279044423 432928812 /nfs/dbraw/zinc/92/88/12/432928812.db2.gz XMKBFPHTOUGERP-UONOGXRCSA-N 1 0 314.389 3.013 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCCC1(C)C ZINC000331192591 432934559 /nfs/dbraw/zinc/93/45/59/432934559.db2.gz WPQPDSYHRKAOFQ-ZDUSSCGKSA-N 1 0 305.378 3.010 20 5 DGBDRO C[C@H](O)CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000279090041 432934771 /nfs/dbraw/zinc/93/47/71/432934771.db2.gz NIOYUGYVORLMIA-LZWOXQAQSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H](CC[S@](C)=O)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279182110 432943134 /nfs/dbraw/zinc/94/31/34/432943134.db2.gz VQRZMNHHITULEB-YHTWVZGRSA-N 1 0 324.446 3.064 20 5 DGBDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000296351029 432899354 /nfs/dbraw/zinc/89/93/54/432899354.db2.gz IHSPJBIVIMHCOV-BBRMVZONSA-N 1 0 321.421 3.057 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000278812797 432903641 /nfs/dbraw/zinc/90/36/41/432903641.db2.gz YSVPIXLVKXXKGN-IINYFYTJSA-N 1 0 320.418 3.091 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000278812790 432903983 /nfs/dbraw/zinc/90/39/83/432903983.db2.gz YSVPIXLVKXXKGN-HZMBPMFUSA-N 1 0 320.418 3.091 20 5 DGBDRO CCC[C@]1(CO)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000288939348 432907742 /nfs/dbraw/zinc/90/77/42/432907742.db2.gz WRBNMUWTKVEHKW-HNNXBMFYSA-N 1 0 312.797 3.233 20 5 DGBDRO CC1(C)CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000330457174 432910025 /nfs/dbraw/zinc/91/00/25/432910025.db2.gz OFGZCSCLHLZWFV-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000289533665 432967533 /nfs/dbraw/zinc/96/75/33/432967533.db2.gz BIVDAYAAVGPRQF-CYBMUJFWSA-N 1 0 322.409 3.062 20 5 DGBDRO CC1CCC([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332135457 432978026 /nfs/dbraw/zinc/97/80/26/432978026.db2.gz FTDZMQPFBBIOKV-UHFFFAOYSA-N 1 0 302.378 3.482 20 5 DGBDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000290124412 432996581 /nfs/dbraw/zinc/99/65/81/432996581.db2.gz YZTYZOBNNMNRRZ-SECBINFHSA-N 1 0 319.188 3.370 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(C)=C(C)C1 ZINC000280225090 433018967 /nfs/dbraw/zinc/01/89/67/433018967.db2.gz APWFDCSERSZXJU-UHFFFAOYSA-N 1 0 317.389 3.274 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000349938083 433037539 /nfs/dbraw/zinc/03/75/39/433037539.db2.gz USQFZEIBOZMBGD-LBPRGKRZSA-N 1 0 308.378 3.113 20 5 DGBDRO CC[NH+]1CCC(N(C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000350010846 433050262 /nfs/dbraw/zinc/05/02/62/433050262.db2.gz OUXJGVJDCPRVAB-VURMDHGXSA-N 1 0 303.406 3.024 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]2CCCO[C@H]21 ZINC000350284512 433126034 /nfs/dbraw/zinc/12/60/34/433126034.db2.gz AUVVXMKYFUWYGP-BPLDGKMQSA-N 1 0 308.353 3.027 20 5 DGBDRO CCC[C@@]1(CO)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000446904457 433127371 /nfs/dbraw/zinc/12/73/71/433127371.db2.gz APPPSUPKOXIYAV-JZLODUJNSA-N 1 0 304.390 3.235 20 5 DGBDRO Cc1cc(N2CC[C@H](C)C[C@H]2C[NH3+])c2cccc([N+](=O)[O-])c2n1 ZINC000420255715 433138174 /nfs/dbraw/zinc/13/81/74/433138174.db2.gz GGUGZMIHVHVKDE-AAEUAGOBSA-N 1 0 314.389 3.015 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000420277060 433145075 /nfs/dbraw/zinc/14/50/75/433145075.db2.gz HXUDKIHVCMDMCV-VXGBXAGGSA-N 1 0 300.362 3.072 20 5 DGBDRO CC[NH2+]CC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000420288559 433145312 /nfs/dbraw/zinc/14/53/12/433145312.db2.gz JFVAIOIACIYYIW-AWEZNQCLSA-N 1 0 305.422 3.286 20 5 DGBDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446843651 433115123 /nfs/dbraw/zinc/11/51/23/433115123.db2.gz OMECUXGYIHFKPM-NWDGAFQWSA-N 1 0 302.378 3.387 20 5 DGBDRO Cc1cc(NC[C@@H]2CCC[NH2+]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420167462 433115956 /nfs/dbraw/zinc/11/59/56/433115956.db2.gz RTMLKGSFCQAALK-VIFPVBQESA-N 1 0 303.284 3.086 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000425367640 433209142 /nfs/dbraw/zinc/20/91/42/433209142.db2.gz CLHLIYWNCHXVGR-QGZVFWFLSA-N 1 0 316.401 3.376 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000354669999 433213673 /nfs/dbraw/zinc/21/36/73/433213673.db2.gz AKUGTTQOERACTI-AWEZNQCLSA-N 1 0 306.406 3.313 20 5 DGBDRO CC1CCN(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447536176 433218301 /nfs/dbraw/zinc/21/83/01/433218301.db2.gz LLLQTVFZUYQVDG-GOSISDBHSA-N 1 0 317.433 3.294 20 5 DGBDRO CC1(C)C[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000453584890 433218668 /nfs/dbraw/zinc/21/86/68/433218668.db2.gz RBFIKNKQGNBADV-HZRUHFOJSA-N 1 0 304.390 3.403 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC23CCC(CC2)C3)n1 ZINC000447574082 433230510 /nfs/dbraw/zinc/23/05/10/433230510.db2.gz LENRWMDASVMQNW-GYMHETDLSA-N 1 0 318.421 3.445 20 5 DGBDRO C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447588918 433238282 /nfs/dbraw/zinc/23/82/82/433238282.db2.gz VWYZLMRHPUALRC-KBUPBQIOSA-N 1 0 306.410 3.443 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1(CO)CCCC1 ZINC000453614207 433241664 /nfs/dbraw/zinc/24/16/64/433241664.db2.gz LORQUHJXLSKQDZ-MRXNPFEDSA-N 1 0 324.396 3.401 20 5 DGBDRO CC(C)OCCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447602071 433243069 /nfs/dbraw/zinc/24/30/69/433243069.db2.gz SKSSHCXXPCSTQN-CABCVRRESA-N 1 0 324.425 3.070 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447602872 433244480 /nfs/dbraw/zinc/24/44/80/433244480.db2.gz VWMVUMRDVQLWAZ-VWYCJHECSA-N 1 0 320.315 3.063 20 5 DGBDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000453627189 433249083 /nfs/dbraw/zinc/24/90/83/433249083.db2.gz UYTGDMRMCOJEKI-KRWDZBQOSA-N 1 0 320.389 3.149 20 5 DGBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc2ccccc2c1 ZINC000350725533 433264669 /nfs/dbraw/zinc/26/46/69/433264669.db2.gz YEYGPCSGQLVDIF-UHFFFAOYSA-N 1 0 324.384 3.467 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2CC2CCCCC2)c1 ZINC000350733316 433271133 /nfs/dbraw/zinc/27/11/33/433271133.db2.gz ZSXYAMKSBQBHIQ-HNNXBMFYSA-N 1 0 306.410 3.226 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000425520516 433280613 /nfs/dbraw/zinc/28/06/13/433280613.db2.gz IKDXOEPLTHYUBJ-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000448026877 433351597 /nfs/dbraw/zinc/35/15/97/433351597.db2.gz KGHYBPOQJGFRMM-XJKSGUPXSA-N 1 0 305.422 3.366 20 5 DGBDRO O=C(C[N@@H+]1CC[C@@H](C2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420961869 433357886 /nfs/dbraw/zinc/35/78/86/433357886.db2.gz JGDBDGCESZIVSR-CQSZACIVSA-N 1 0 317.389 3.045 20 5 DGBDRO CC[N@H+](CCC1CC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000355033540 433426227 /nfs/dbraw/zinc/42/62/27/433426227.db2.gz BOWLWONVXWRBAW-ZDUSSCGKSA-N 1 0 319.405 3.352 20 5 DGBDRO CCC[C@H]([NH2+][C@H]1CCOC[C@H]1OCC)c1cccc([N+](=O)[O-])c1 ZINC000354977842 433388680 /nfs/dbraw/zinc/38/86/80/433388680.db2.gz GNUKRNVQNCJDIG-YESZJQIVSA-N 1 0 322.405 3.220 20 5 DGBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000448357011 433394734 /nfs/dbraw/zinc/39/47/34/433394734.db2.gz WOWIBDCKYGTZMQ-GMRZMDSISA-N 1 0 304.390 3.233 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000301090374 433408740 /nfs/dbraw/zinc/40/87/40/433408740.db2.gz NIBZRLRHZSGWDX-UHFFFAOYSA-N 1 0 303.387 3.127 20 5 DGBDRO CC[N@H+](CCC1CC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000355029527 433422381 /nfs/dbraw/zinc/42/23/81/433422381.db2.gz AVRZRTVVBFUDCW-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO CCOc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000301175093 433441828 /nfs/dbraw/zinc/44/18/28/433441828.db2.gz FUASTCDSRFWERP-ZIAGYGMSSA-N 1 0 305.378 3.032 20 5 DGBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000292085315 433456247 /nfs/dbraw/zinc/45/62/47/433456247.db2.gz MNINDKLHHDDSHQ-GFCCVEGCSA-N 1 0 321.421 3.140 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc([N+](=O)[O-])cc1 ZINC000268798718 290050414 /nfs/dbraw/zinc/05/04/14/290050414.db2.gz GXLITCVFCZWRAM-NHYWBVRUSA-N 1 0 300.362 3.057 20 5 DGBDRO C[N@@H+]1CC[C@@H](CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000342094389 433466569 /nfs/dbraw/zinc/46/65/69/433466569.db2.gz XYFASUGAVPYVSC-QMMMGPOBSA-N 1 0 304.177 3.265 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000301234440 433462871 /nfs/dbraw/zinc/46/28/71/433462871.db2.gz CHVZUBUMFZTBTH-OAHLLOKOSA-N 1 0 319.405 3.474 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429363336 290267253 /nfs/dbraw/zinc/26/72/53/290267253.db2.gz COZDRVQJQRWBAE-LSDHHAIUSA-N 1 0 317.433 3.462 20 5 DGBDRO CC(C)([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000292150021 433483006 /nfs/dbraw/zinc/48/30/06/433483006.db2.gz NKNMIYSINGDPMG-MRXNPFEDSA-N 1 0 300.358 3.153 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000375691177 433529962 /nfs/dbraw/zinc/52/99/62/433529962.db2.gz WFTBLMWXMFJGGF-MRXNPFEDSA-N 1 0 314.341 3.011 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426453171 433501154 /nfs/dbraw/zinc/50/11/54/433501154.db2.gz CZTHZTYIVPXWFN-BBRMVZONSA-N 1 0 317.389 3.106 20 5 DGBDRO O=C(C[N@@H+]1CC[C@@H]2CCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426454557 433503399 /nfs/dbraw/zinc/50/33/99/433503399.db2.gz QNKOUTOIWOWSTF-GXFFZTMASA-N 1 0 323.780 3.061 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)n2)c1 ZINC000426466663 433508137 /nfs/dbraw/zinc/50/81/37/433508137.db2.gz GVLNCMBZGJLAIZ-FZMZJTMJSA-N 1 0 314.345 3.019 20 5 DGBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(Cl)cc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000375746100 433550983 /nfs/dbraw/zinc/55/09/83/433550983.db2.gz WXUPXTNCTJUJTL-GSJWJAIFSA-N 1 0 322.792 3.103 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)cc2)n1 ZINC000351526662 433551139 /nfs/dbraw/zinc/55/11/39/433551139.db2.gz YLJBJTXOHZMWAR-CABCVRRESA-N 1 0 318.352 3.204 20 5 DGBDRO CSc1ccc([N+](=O)[O-])c(-c2nc([C@H]([NH3+])CC(C)C)no2)c1 ZINC000339389589 433554788 /nfs/dbraw/zinc/55/47/88/433554788.db2.gz HGVKQQSVCUJCFD-LLVKDONJSA-N 1 0 322.390 3.413 20 5 DGBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[C@H](C)C1 ZINC000362157532 433555680 /nfs/dbraw/zinc/55/56/80/433555680.db2.gz PTZJJTXWRQWFDX-ZFWWWQNUSA-N 1 0 322.405 3.240 20 5 DGBDRO Cc1nc(C)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282338628 433572071 /nfs/dbraw/zinc/57/20/71/433572071.db2.gz BPLDBMZWZGRNDU-UHFFFAOYSA-N 1 0 305.403 3.343 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000301480063 433572997 /nfs/dbraw/zinc/57/29/97/433572997.db2.gz RMDZSODTHVUQPC-HNNXBMFYSA-N 1 0 303.406 3.358 20 5 DGBDRO Cc1ccc(NC2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000301487517 433574929 /nfs/dbraw/zinc/57/49/29/433574929.db2.gz YSQSUVXZGUYZEE-UHFFFAOYSA-N 1 0 321.421 3.205 20 5 DGBDRO CCCCN(CC)C(=O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000342271779 433576850 /nfs/dbraw/zinc/57/68/50/433576850.db2.gz YERKVOQQVIZORW-MRXNPFEDSA-N 1 0 321.421 3.284 20 5 DGBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000339438919 433587033 /nfs/dbraw/zinc/58/70/33/433587033.db2.gz QWBHRLLQIMMSQA-INIZCTEOSA-N 1 0 323.824 3.166 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000301614656 433639399 /nfs/dbraw/zinc/63/93/99/433639399.db2.gz IHAMYHDKPYAKIM-DZGCQCFKSA-N 1 0 312.373 3.065 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000414478883 433646935 /nfs/dbraw/zinc/64/69/35/433646935.db2.gz QEIDZXQWVOFHAB-RQPMMQJISA-N 1 0 308.353 3.059 20 5 DGBDRO COc1ccc(OCC[NH+]2C[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000426794441 433600529 /nfs/dbraw/zinc/60/05/29/433600529.db2.gz RLSTWEYPFUGGPY-ZIAGYGMSSA-N 1 0 320.389 3.104 20 5 DGBDRO CCOc1cc(NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000301541639 433604424 /nfs/dbraw/zinc/60/44/24/433604424.db2.gz SGIFEQNNICFWBA-UHFFFAOYSA-N 1 0 305.378 3.032 20 5 DGBDRO C[N@H+](CCNc1cccc(F)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301571292 433618451 /nfs/dbraw/zinc/61/84/51/433618451.db2.gz WYKFEEDERVMCCK-UHFFFAOYSA-N 1 0 321.327 3.417 20 5 DGBDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000283110222 433669776 /nfs/dbraw/zinc/66/97/76/433669776.db2.gz YAZABZDUXIETTC-QGZVFWFLSA-N 1 0 300.358 3.035 20 5 DGBDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414519804 433682507 /nfs/dbraw/zinc/68/25/07/433682507.db2.gz BRIHBTJWUUTTRQ-OLZOCXBDSA-N 1 0 316.357 3.058 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1cc2c(c[nH+]1)CCC2 ZINC000339555674 433650616 /nfs/dbraw/zinc/65/06/16/433650616.db2.gz JSIZPJJBRUFKQC-UHFFFAOYSA-N 1 0 313.357 3.489 20 5 DGBDRO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000301731533 433700816 /nfs/dbraw/zinc/70/08/16/433700816.db2.gz DWWHQXRVIKJLAG-MNOVXSKESA-N 1 0 312.801 3.176 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(F)c1 ZINC000301759705 433711030 /nfs/dbraw/zinc/71/10/30/433711030.db2.gz AXMINCMJACQXDO-SNVBAGLBSA-N 1 0 311.332 3.302 20 5 DGBDRO CCC[NH+]1CCC(N(C)c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301793463 433728584 /nfs/dbraw/zinc/72/85/84/433728584.db2.gz PECNETXIOBNSNN-UHFFFAOYSA-N 1 0 313.348 3.184 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1(OC)CCCC1 ZINC000421827710 433752712 /nfs/dbraw/zinc/75/27/12/433752712.db2.gz ZDBVPSBRGKNYPC-LBPRGKRZSA-N 1 0 308.378 3.041 20 5 DGBDRO CC[N@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293470815 433753024 /nfs/dbraw/zinc/75/30/24/433753024.db2.gz LTBKBLAUZJPYLG-UHFFFAOYSA-N 1 0 306.284 3.082 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421834464 433756408 /nfs/dbraw/zinc/75/64/08/433756408.db2.gz OUGPJDKWCUCNRB-INIZCTEOSA-N 1 0 311.385 3.070 20 5 DGBDRO CCSCC[C@@H](C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000362447690 433723378 /nfs/dbraw/zinc/72/33/78/433723378.db2.gz CWPFYETUKXVKCT-CYBMUJFWSA-N 1 0 312.435 3.437 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429582111 433778567 /nfs/dbraw/zinc/77/85/67/433778567.db2.gz ZIRYYWWVSXIZHU-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@@H](C)[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293567517 433786551 /nfs/dbraw/zinc/78/65/51/433786551.db2.gz MREZKQGNYAPOIC-SNVBAGLBSA-N 1 0 320.311 3.206 20 5 DGBDRO CCOc1ccccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293585748 433792127 /nfs/dbraw/zinc/79/21/27/433792127.db2.gz FDDBFXLFVCBOLE-GFCCVEGCSA-N 1 0 315.373 3.427 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302014080 433806046 /nfs/dbraw/zinc/80/60/46/433806046.db2.gz DWQXQEMQMIDFBG-SECBINFHSA-N 1 0 318.204 3.432 20 5 DGBDRO CO[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000293664481 433818456 /nfs/dbraw/zinc/81/84/56/433818456.db2.gz OEDUUYJVUSTMNV-GFCCVEGCSA-N 1 0 319.188 3.416 20 5 DGBDRO COC(=O)CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)C ZINC000351979892 433830692 /nfs/dbraw/zinc/83/06/92/433830692.db2.gz YYJAXXNYMYRYLQ-VURMDHGXSA-N 1 0 320.389 3.129 20 5 DGBDRO C[C@@](O)(C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433116989 433841282 /nfs/dbraw/zinc/84/12/82/433841282.db2.gz MKRRHMVFVSCNRI-NVXWUHKLSA-N 1 0 304.390 3.068 20 5 DGBDRO CC(C)[C@H](CCO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433291900 433846911 /nfs/dbraw/zinc/84/69/11/433846911.db2.gz VVLLPLUJVXCEIN-HOTGVXAUSA-N 1 0 306.406 3.314 20 5 DGBDRO COc1ccc(CNc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414817045 433860493 /nfs/dbraw/zinc/86/04/93/433860493.db2.gz YVXJSEUHMVVAMH-NSHDSACASA-N 1 0 301.346 3.235 20 5 DGBDRO [NH3+]C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000414840053 433871402 /nfs/dbraw/zinc/87/14/02/433871402.db2.gz MDGKQGKTHXTWNZ-CXSQMQJXSA-N 1 0 303.406 3.105 20 5 DGBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000362849647 433884155 /nfs/dbraw/zinc/88/41/55/433884155.db2.gz DBGXIUOUDFPSLD-KGLIPLIRSA-N 1 0 314.389 3.015 20 5 DGBDRO COCC(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293848780 433893998 /nfs/dbraw/zinc/89/39/98/433893998.db2.gz XFMTZOCXBKRSFI-OAHLLOKOSA-N 1 0 306.406 3.178 20 5 DGBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000377654251 433941692 /nfs/dbraw/zinc/94/16/92/433941692.db2.gz QVCNXGZCYAIVHV-HNNXBMFYSA-N 1 0 312.797 3.089 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)CC1 ZINC000357385914 433986345 /nfs/dbraw/zinc/98/63/45/433986345.db2.gz AXJDZYJAPHLHGK-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1ccc(C[NH2+]CCCc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000285641721 434024555 /nfs/dbraw/zinc/02/45/55/434024555.db2.gz RVLRVGWOEXSIAY-UHFFFAOYSA-N 1 0 315.373 3.029 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000396937656 293843024 /nfs/dbraw/zinc/84/30/24/293843024.db2.gz HAMJHCLUQIMKOZ-SECBINFHSA-N 1 0 306.284 3.282 20 5 DGBDRO C[C@@H](CCO)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305861464 434084641 /nfs/dbraw/zinc/08/46/41/434084641.db2.gz YCHKVYQNDKOPBU-KSSFIOAISA-N 1 0 314.385 3.292 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450289266 434085449 /nfs/dbraw/zinc/08/54/49/434085449.db2.gz OPTJVSWXBFLXJL-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000309730408 434098260 /nfs/dbraw/zinc/09/82/60/434098260.db2.gz OVDBISVYIZHLSW-UHFFFAOYSA-N 1 0 311.385 3.225 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000499685584 294091244 /nfs/dbraw/zinc/09/12/44/294091244.db2.gz OOXUHRINHKELLC-UHFFFAOYSA-N 1 0 305.422 3.461 20 5 DGBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000500092949 294103501 /nfs/dbraw/zinc/10/35/01/294103501.db2.gz XCNBEWZJGNKGJB-HIFRSBDPSA-N 1 0 321.421 3.247 20 5 DGBDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414241752 294108777 /nfs/dbraw/zinc/10/87/77/294108777.db2.gz PBFDPLBYVANFFY-IGCXYCKISA-N 1 0 306.406 3.319 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000503912614 294204960 /nfs/dbraw/zinc/20/49/60/294204960.db2.gz SDSZKUSFTXQEIV-OASPWFOLSA-N 1 0 300.305 3.406 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCOC1 ZINC000504918305 294224087 /nfs/dbraw/zinc/22/40/87/294224087.db2.gz GGVSIDOANKOJMG-CJNGLKHVSA-N 1 0 324.446 3.482 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)C[C@H](C)CO)cc1[N+](=O)[O-] ZINC000504905650 294224217 /nfs/dbraw/zinc/22/42/17/294224217.db2.gz LVERMXOHXYNCKU-YDHLFZDLSA-N 1 0 324.421 3.441 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000505820792 294255385 /nfs/dbraw/zinc/25/53/85/294255385.db2.gz UYLVWANTDAMZHK-INIZCTEOSA-N 1 0 312.369 3.496 20 5 DGBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000505892004 294258200 /nfs/dbraw/zinc/25/82/00/294258200.db2.gz UIUGHOHXDSRHIL-UHFFFAOYSA-N 1 0 300.333 3.333 20 5 DGBDRO CCCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000507242084 294290328 /nfs/dbraw/zinc/29/03/28/294290328.db2.gz CRPPANDBABQOJS-UHFFFAOYSA-N 1 0 308.378 3.377 20 5 DGBDRO CC(C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000507359968 294295333 /nfs/dbraw/zinc/29/53/33/294295333.db2.gz MFKMGJRFJIIWLM-UHFFFAOYSA-N 1 0 300.358 3.499 20 5 DGBDRO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000510281502 294379956 /nfs/dbraw/zinc/37/99/56/294379956.db2.gz GGJJTAMYCDRRIS-GFCCVEGCSA-N 1 0 310.357 3.364 20 5 DGBDRO COCC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000510602733 294387114 /nfs/dbraw/zinc/38/71/14/294387114.db2.gz QOJINMQHONLZQI-AWEZNQCLSA-N 1 0 316.348 3.414 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450370358 434135523 /nfs/dbraw/zinc/13/55/23/434135523.db2.gz XQVAKFZJHYRGBO-CHWSQXEVSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCc3ccccc3CC2)c(F)c1 ZINC000319273808 434220229 /nfs/dbraw/zinc/22/02/29/434220229.db2.gz FIBMZTXHFFXLTK-UHFFFAOYSA-N 1 0 300.333 3.335 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000316176735 434186246 /nfs/dbraw/zinc/18/62/46/434186246.db2.gz VEQCJVCFDWTRHE-OAHLLOKOSA-N 1 0 305.422 3.430 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000378493782 434199925 /nfs/dbraw/zinc/19/99/25/434199925.db2.gz IXWYQNQJROIVPV-SOUVJXGZSA-N 1 0 304.390 3.323 20 5 DGBDRO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295102642 434200358 /nfs/dbraw/zinc/20/03/58/434200358.db2.gz TUFHHSFWQUSCBJ-IIAWOOMASA-N 1 0 320.433 3.445 20 5 DGBDRO COc1ncccc1CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000353538307 434206122 /nfs/dbraw/zinc/20/61/22/434206122.db2.gz GYMBIAVUGDOUBU-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000437043007 434206630 /nfs/dbraw/zinc/20/66/30/434206630.db2.gz IWEYIZPHKHMWSG-BZPMIXESSA-N 1 0 305.378 3.090 20 5 DGBDRO COCC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000514827079 294519168 /nfs/dbraw/zinc/51/91/68/294519168.db2.gz UCANAWQADQQLRO-HNNXBMFYSA-N 1 0 304.390 3.379 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000378562487 434220060 /nfs/dbraw/zinc/22/00/60/434220060.db2.gz FJGCONSDMXQNJR-INIZCTEOSA-N 1 0 322.368 3.392 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000295195838 434252036 /nfs/dbraw/zinc/25/20/36/434252036.db2.gz JPOLLNXEPUZPMZ-PMGBHYCQSA-N 1 0 303.406 3.024 20 5 DGBDRO CC(=O)c1ccc(NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000357966013 434267133 /nfs/dbraw/zinc/26/71/33/434267133.db2.gz UTGGCLFSFZJTJF-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c2ncccc12 ZINC000320045059 434232343 /nfs/dbraw/zinc/23/23/43/434232343.db2.gz RMQCPLACRFZKMC-GFCCVEGCSA-N 1 0 312.373 3.039 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000387249244 434316460 /nfs/dbraw/zinc/31/64/60/434316460.db2.gz DMYNJSJUDKVZSD-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCCCn2ccnc2)cc1[N+](=O)[O-] ZINC000387326252 434323120 /nfs/dbraw/zinc/32/31/20/434323120.db2.gz SDUDOZTYXYJYEQ-AWEZNQCLSA-N 1 0 302.378 3.231 20 5 DGBDRO CC(C)C[C@H](CN)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423266805 434324894 /nfs/dbraw/zinc/32/48/94/434324894.db2.gz SFTKDRRLUHNBIS-USXIJHARSA-N 1 0 319.449 3.269 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000382443553 434277530 /nfs/dbraw/zinc/27/75/30/434277530.db2.gz HNWHVBPTRDFLCU-BDAKNGLRSA-N 1 0 303.284 3.295 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000358151197 434352080 /nfs/dbraw/zinc/35/20/80/434352080.db2.gz CLCCBKKPNYQSHI-BLLLJJGKSA-N 1 0 318.348 3.427 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCC[C@H](O)CC)cc1[N+](=O)[O-] ZINC000358150645 434354566 /nfs/dbraw/zinc/35/45/66/434354566.db2.gz DYWUEBPNXUHKFM-GXTWGEPZSA-N 1 0 310.394 3.195 20 5 DGBDRO CCC[NH2+]CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423311429 434355817 /nfs/dbraw/zinc/35/58/17/434355817.db2.gz QCFRYMALDVYWRL-GOSISDBHSA-N 1 0 313.401 3.273 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCC[C@@H]1O ZINC000348556391 434400199 /nfs/dbraw/zinc/40/01/99/434400199.db2.gz OYPWAXYIYCJHCW-CVEARBPZSA-N 1 0 316.357 3.200 20 5 DGBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000287586696 434405516 /nfs/dbraw/zinc/40/55/16/434405516.db2.gz RHKJBTBASKLWRL-KBRIMQKVSA-N 1 0 318.417 3.178 20 5 DGBDRO COc1ccncc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000287625102 434412614 /nfs/dbraw/zinc/41/26/14/434412614.db2.gz FKXGGDBPHSPPLM-UHFFFAOYSA-N 1 0 313.357 3.163 20 5 DGBDRO CO[C@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000395194272 434414394 /nfs/dbraw/zinc/41/43/94/434414394.db2.gz ADYNBFTZOCZDBK-QGZVFWFLSA-N 1 0 300.358 3.246 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000348641544 434427296 /nfs/dbraw/zinc/42/72/96/434427296.db2.gz LVUQBMGDGMFYSE-KEYYUXOJSA-N 1 0 306.406 3.434 20 5 DGBDRO CCOc1ccc([C@H](C)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423512074 434463940 /nfs/dbraw/zinc/46/39/40/434463940.db2.gz UMRWFQBNLHFOEV-WFASDCNBSA-N 1 0 321.421 3.162 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000360036160 434487062 /nfs/dbraw/zinc/48/70/62/434487062.db2.gz MCKNCPVBTOCJHJ-NUEKZKHPSA-N 1 0 304.390 3.196 20 5 DGBDRO [NH3+]CCN(Cc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000348936747 434560653 /nfs/dbraw/zinc/56/06/53/434560653.db2.gz UKOSOVYKWXAIFA-UHFFFAOYSA-N 1 0 305.765 3.214 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000348882627 434541571 /nfs/dbraw/zinc/54/15/71/434541571.db2.gz ZBRPSQZOKPERTA-FHMRSRPSSA-N 1 0 312.316 3.169 20 5 DGBDRO [NH3+]CCN(Cc1cccc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000348896937 434546215 /nfs/dbraw/zinc/54/62/15/434546215.db2.gz VBUFWHHBHBGJIT-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO [NH3+]CCN(Cc1ccc2ncccc2c1)c1ccccc1[N+](=O)[O-] ZINC000348918937 434553285 /nfs/dbraw/zinc/55/32/85/434553285.db2.gz FAXWDADHTOQOJX-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000525636371 295023239 /nfs/dbraw/zinc/02/32/39/295023239.db2.gz TVZPNJSUSQUTAP-GASCZTMLSA-N 1 0 304.390 3.470 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncccc1F ZINC000525998821 295049568 /nfs/dbraw/zinc/04/95/68/295049568.db2.gz YDADHKNMLWEMET-XYOKQWHBSA-N 1 0 301.321 3.322 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1nccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000360273012 434563897 /nfs/dbraw/zinc/56/38/97/434563897.db2.gz PSWVFZLAWRTNJD-ZDUSSCGKSA-N 1 0 318.377 3.386 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CO1 ZINC000418043886 434572503 /nfs/dbraw/zinc/57/25/03/434572503.db2.gz ZFMDCUVJERPRKQ-LLVKDONJSA-N 1 0 318.295 3.271 20 5 DGBDRO CO[C@H]1C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451849988 434579891 /nfs/dbraw/zinc/57/98/91/434579891.db2.gz LFHJVGOXBKKIAU-CVEARBPZSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H](C)C1 ZINC000360598141 434645377 /nfs/dbraw/zinc/64/53/77/434645377.db2.gz NZOQQCSGEYNDDJ-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@]1(C)CCCC[C@H]1C ZINC000459607470 434629540 /nfs/dbraw/zinc/62/95/40/434629540.db2.gz GVZJUKFUMCNJSR-CXAGYDPISA-N 1 0 319.405 3.400 20 5 DGBDRO CC(C)(O)C1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000459609216 434629581 /nfs/dbraw/zinc/62/95/81/434629581.db2.gz KGPNEORHHCLRQH-UHFFFAOYSA-N 1 0 316.357 3.058 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000459607473 434631088 /nfs/dbraw/zinc/63/10/88/434631088.db2.gz GVZJUKFUMCNJSR-DYVFJYSZSA-N 1 0 319.405 3.400 20 5 DGBDRO COc1cc(C)nc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c1 ZINC000354246339 434688917 /nfs/dbraw/zinc/68/89/17/434688917.db2.gz VRJXNFXMZGYJRJ-UHFFFAOYSA-N 1 0 324.340 3.219 20 5 DGBDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000460353301 434754111 /nfs/dbraw/zinc/75/41/11/434754111.db2.gz GDRWTEVUJJJMMK-UONOGXRCSA-N 1 0 319.405 3.482 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCSCC(F)(F)F ZINC000354283830 434705586 /nfs/dbraw/zinc/70/55/86/434705586.db2.gz UTYWJHWEOJNXEF-HYXAFXHYSA-N 1 0 320.336 3.493 20 5 DGBDRO CCC(C)(C)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440483522 434706192 /nfs/dbraw/zinc/70/61/92/434706192.db2.gz DBGSVHNBOGVWFZ-ZDUSSCGKSA-N 1 0 306.410 3.302 20 5 DGBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000424376623 434715113 /nfs/dbraw/zinc/71/51/13/434715113.db2.gz LCJSAQRSACTKRV-HZPDHXFCSA-N 1 0 315.373 3.214 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459787648 434721442 /nfs/dbraw/zinc/72/14/42/434721442.db2.gz PQGNTVYJMCJRDH-VBNZEHGJSA-N 1 0 304.390 3.073 20 5 DGBDRO CCCNC(=O)C[N@H+](CCC)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000411178746 434739206 /nfs/dbraw/zinc/73/92/06/434739206.db2.gz JZEUVEQPHKIQBL-CQSZACIVSA-N 1 0 321.421 3.202 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000360951786 434742418 /nfs/dbraw/zinc/74/24/18/434742418.db2.gz SMWYHVFHRHFOIQ-OLZOCXBDSA-N 1 0 307.394 3.136 20 5 DGBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000361029056 434772750 /nfs/dbraw/zinc/77/27/50/434772750.db2.gz QKPPVRBDNAMNLO-NWDGAFQWSA-N 1 0 304.346 3.104 20 5 DGBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000371944613 434775076 /nfs/dbraw/zinc/77/50/76/434775076.db2.gz WJHGWUOVMAOEPU-KRWDZBQOSA-N 1 0 314.389 3.282 20 5 DGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411548615 434797968 /nfs/dbraw/zinc/79/79/68/434797968.db2.gz FLRAXFZQYJCDNC-KGLIPLIRSA-N 1 0 319.405 3.482 20 5 DGBDRO C[C@@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411630470 434810858 /nfs/dbraw/zinc/81/08/58/434810858.db2.gz IKXBJOTWCQLXGC-DOMZBBRYSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411637291 434811339 /nfs/dbraw/zinc/81/13/39/434811339.db2.gz CPAZQQLXZKEDAL-IUODEOHRSA-N 1 0 305.378 3.092 20 5 DGBDRO CCn1ccnc1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000453147178 434815769 /nfs/dbraw/zinc/81/57/69/434815769.db2.gz IWRYLECIPYANBX-AWEZNQCLSA-N 1 0 316.405 3.485 20 5 DGBDRO C[C@H]1CCC(C)(C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411811984 434830332 /nfs/dbraw/zinc/83/03/32/434830332.db2.gz WAMJONFMPSPMSH-LBPRGKRZSA-N 1 0 305.378 3.186 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411873076 434840790 /nfs/dbraw/zinc/84/07/90/434840790.db2.gz XDBCUQRNWCTDSZ-UHFFFAOYSA-N 1 0 322.430 3.335 20 5 DGBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000411968924 434850149 /nfs/dbraw/zinc/85/01/49/434850149.db2.gz KPSLKCVIEYCEMW-VFZGTOFNSA-N 1 0 314.332 3.166 20 5 DGBDRO CC(C)O[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000463014146 434939416 /nfs/dbraw/zinc/93/94/16/434939416.db2.gz UFXPFFSXFKPSPL-HOTGVXAUSA-N 1 0 306.406 3.319 20 5 DGBDRO COc1ccc(CC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000554848570 434948688 /nfs/dbraw/zinc/94/86/88/434948688.db2.gz NOCBXVZVODTFSR-UHFFFAOYSA-N 1 0 314.385 3.320 20 5 DGBDRO C[C@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC[C@@H]1O ZINC000574172168 434957112 /nfs/dbraw/zinc/95/71/12/434957112.db2.gz RKFCAYMUMSIPEY-HYVNUMGLSA-N 1 0 304.390 3.113 20 5 DGBDRO Cc1ccc(C[NH2+]CCc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000492355896 434966735 /nfs/dbraw/zinc/96/67/35/434966735.db2.gz IMWKTQHWGFHMNB-UHFFFAOYSA-N 1 0 320.418 3.210 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3C=CCCCCC3)CC2)cn1 ZINC000555299238 434968578 /nfs/dbraw/zinc/96/85/78/434968578.db2.gz GFPCXQDAPCHGFN-HNNXBMFYSA-N 1 0 316.405 3.001 20 5 DGBDRO CC(C)[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000556981301 435042149 /nfs/dbraw/zinc/04/21/49/435042149.db2.gz XHUPNRGCTGSNMH-ZGRWHYIRSA-N 1 0 304.390 3.355 20 5 DGBDRO CC(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000467163409 435109829 /nfs/dbraw/zinc/10/98/29/435109829.db2.gz UAWKSRLUTOOMRV-CQSZACIVSA-N 1 0 319.405 3.291 20 5 DGBDRO CC(C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000467169886 435109860 /nfs/dbraw/zinc/10/98/60/435109860.db2.gz FCKSHGRTVFPNAB-UONOGXRCSA-N 1 0 319.405 3.290 20 5 DGBDRO CC(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000467163408 435110979 /nfs/dbraw/zinc/11/09/79/435110979.db2.gz UAWKSRLUTOOMRV-AWEZNQCLSA-N 1 0 319.405 3.291 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470974144 435135985 /nfs/dbraw/zinc/13/59/85/435135985.db2.gz IUDIMXOFDISXRV-HOCLYGCPSA-N 1 0 317.433 3.320 20 5 DGBDRO CCC[NH+]1CCC(N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000579971646 435196961 /nfs/dbraw/zinc/19/69/61/435196961.db2.gz GKINFUYQTBJJQU-INIZCTEOSA-N 1 0 303.406 3.046 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000532927558 435200143 /nfs/dbraw/zinc/20/01/43/435200143.db2.gz CDZNABFOAHIVDI-LBPRGKRZSA-N 1 0 307.394 3.208 20 5 DGBDRO CCCC[N@H+](C)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475577765 435203807 /nfs/dbraw/zinc/20/38/07/435203807.db2.gz HQCGKIHCHDYWGB-UHFFFAOYSA-N 1 0 322.409 3.065 20 5 DGBDRO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000532248888 435152203 /nfs/dbraw/zinc/15/22/03/435152203.db2.gz CZBKFVSXHXFFHF-DYVFJYSZSA-N 1 0 300.358 3.287 20 5 DGBDRO CC(C)[N@@H+]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493409285 435165618 /nfs/dbraw/zinc/16/56/18/435165618.db2.gz GVFMMLMMYGRROG-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000532475442 435169362 /nfs/dbraw/zinc/16/93/62/435169362.db2.gz FBDDMKIAJLNKAR-CQSZACIVSA-N 1 0 317.433 3.428 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000532542187 435176780 /nfs/dbraw/zinc/17/67/80/435176780.db2.gz VOTOADDVKLHCAY-DCGLDWPTSA-N 1 0 303.406 3.037 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCC1 ZINC000532579658 435179459 /nfs/dbraw/zinc/17/94/59/435179459.db2.gz OJCJISNIGMWPCY-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO CC(C)C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533256393 435220270 /nfs/dbraw/zinc/22/02/70/435220270.db2.gz PYHDAYXPAZSUKO-UHFFFAOYSA-N 1 0 303.362 3.380 20 5 DGBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000533710234 435254717 /nfs/dbraw/zinc/25/47/17/435254717.db2.gz PBSXIFYCYUBHGN-CYBMUJFWSA-N 1 0 323.824 3.416 20 5 DGBDRO Cc1ccc2c(c1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000512214018 435347213 /nfs/dbraw/zinc/34/72/13/435347213.db2.gz QWVHEGGQDLIIIU-UHFFFAOYSA-N 1 0 312.369 3.340 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000480005091 435361193 /nfs/dbraw/zinc/36/11/93/435361193.db2.gz FYOMBFVCYXPWGO-YPMHNXCESA-N 1 0 305.378 3.082 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CC2(N(C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000480146532 435366683 /nfs/dbraw/zinc/36/66/83/435366683.db2.gz JLEDOUQRLKXKNO-CQSZACIVSA-N 1 0 305.422 3.428 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767983 435469606 /nfs/dbraw/zinc/46/96/06/435469606.db2.gz CHLCGRAGNWDABH-WMLDXEAASA-N 1 0 317.433 3.292 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767982 435470328 /nfs/dbraw/zinc/47/03/28/435470328.db2.gz CHLCGRAGNWDABH-RHSMWYFYSA-N 1 0 317.433 3.292 20 5 DGBDRO CN1Cc2ccccc2[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537319961 435437536 /nfs/dbraw/zinc/43/75/36/435437536.db2.gz WZDNCNFQUMHJEH-KKMIYCERSA-N 1 0 323.396 3.384 20 5 DGBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000569108700 435503370 /nfs/dbraw/zinc/50/33/70/435503370.db2.gz PUMDCQNTDOUXAB-KGLIPLIRSA-N 1 0 304.390 3.484 20 5 DGBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000569219746 435513460 /nfs/dbraw/zinc/51/34/60/435513460.db2.gz ZVXMQWFDTNKGSA-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO CCC[C@]1(CO)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000569392523 435529485 /nfs/dbraw/zinc/52/94/85/435529485.db2.gz OKPUUFPZANKHMM-KAPURRDVSA-N 1 0 318.417 3.483 20 5 DGBDRO COc1cccc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000538129422 435483139 /nfs/dbraw/zinc/48/31/39/435483139.db2.gz VRVMCFBJULWRST-ZDUSSCGKSA-N 1 0 316.357 3.333 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CS1 ZINC000568945047 435484525 /nfs/dbraw/zinc/48/45/25/435484525.db2.gz QIHIJTVKERBYHE-DOMZBBRYSA-N 1 0 310.419 3.093 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482957356 435488002 /nfs/dbraw/zinc/48/80/02/435488002.db2.gz ILTMNOHJMWAXJA-FDQGKXFDSA-N 1 0 320.433 3.303 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCO)CC1CCCCC1 ZINC000485722417 435578022 /nfs/dbraw/zinc/57/80/22/435578022.db2.gz CWZVCFTWQXKBLY-UXBLZVDNSA-N 1 0 318.417 3.483 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1c1ccccn1 ZINC000518287386 435631915 /nfs/dbraw/zinc/63/19/15/435631915.db2.gz JDIYSAKBSUWPAW-MRXNPFEDSA-N 1 0 313.357 3.336 20 5 DGBDRO CCOc1cc(NC[C@@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000486428820 435598936 /nfs/dbraw/zinc/59/89/36/435598936.db2.gz AOKKWWXIXFZQQT-CQSZACIVSA-N 1 0 309.410 3.382 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cncc(F)c1 ZINC000571179108 435684168 /nfs/dbraw/zinc/68/41/68/435684168.db2.gz VSCDTFKNXHWFOE-ZUZCIYMTSA-N 1 0 301.321 3.467 20 5 DGBDRO Cc1cccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000548761758 435717116 /nfs/dbraw/zinc/71/71/16/435717116.db2.gz SEZRXFBLUJRABP-UHFFFAOYSA-N 1 0 313.357 3.022 20 5 DGBDRO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000550895960 435813628 /nfs/dbraw/zinc/81/36/28/435813628.db2.gz ZGFBZLRDYJUKDL-YXJHDRRASA-N 1 0 318.417 3.321 20 5 DGBDRO C[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[NH+](C)C ZINC000491589294 435776684 /nfs/dbraw/zinc/77/66/84/435776684.db2.gz PRIHKFASLFZGSP-CYBMUJFWSA-N 1 0 317.389 3.142 20 5 DGBDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000341680435 302125641 /nfs/dbraw/zinc/12/56/41/302125641.db2.gz CZWXVWUHBPYCDN-MRXNPFEDSA-N 1 0 316.405 3.477 20 5 DGBDRO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376653101 312973958 /nfs/dbraw/zinc/97/39/58/312973958.db2.gz SLVKAYKLJXGIAQ-ZBFHGGJFSA-N 1 0 318.421 3.421 20 5 DGBDRO CCC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000530370074 313362032 /nfs/dbraw/zinc/36/20/32/313362032.db2.gz RPINRTXSORZNSA-ZDUSSCGKSA-N 1 0 319.405 3.330 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCn1ccnc1 ZINC000531684134 313479746 /nfs/dbraw/zinc/47/97/46/313479746.db2.gz GAGKHOXLPBMNFQ-AWEZNQCLSA-N 1 0 302.378 3.231 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000539506554 313916440 /nfs/dbraw/zinc/91/64/40/313916440.db2.gz AYLKHRNGOQTETE-CZUORRHYSA-N 1 0 306.406 3.351 20 5 DGBDRO C[C@@H]1C[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000539970326 313939881 /nfs/dbraw/zinc/93/98/81/313939881.db2.gz RRXNROQYDVVALD-CKEIUWERSA-N 1 0 318.417 3.321 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccc(F)c(F)c2F)c1 ZINC000541383273 314013039 /nfs/dbraw/zinc/01/30/39/314013039.db2.gz QXDOJJOEVIMRIY-UHFFFAOYSA-N 1 0 310.275 3.344 20 5 DGBDRO CCc1ccc([C@@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000541980875 314050717 /nfs/dbraw/zinc/05/07/17/314050717.db2.gz IRUCALLWYFLIPN-QGZVFWFLSA-N 1 0 314.385 3.289 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000542319138 314070052 /nfs/dbraw/zinc/07/00/52/314070052.db2.gz CSPCXGAPCZDSJS-OLZOCXBDSA-N 1 0 319.405 3.290 20 5 DGBDRO Cc1cc(N[C@H](C)Cc2ccncc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543050244 314111379 /nfs/dbraw/zinc/11/13/79/314111379.db2.gz DUPLLPHIMBCDBV-GFCCVEGCSA-N 1 0 322.368 3.311 20 5 DGBDRO Cc1cc(N2CCO[C@H](C(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543050877 314111824 /nfs/dbraw/zinc/11/18/24/314111824.db2.gz NFOQWPLQRWHWCV-KRWDZBQOSA-N 1 0 315.373 3.313 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000543248400 314123577 /nfs/dbraw/zinc/12/35/77/314123577.db2.gz ZRUITYWTSXWETN-CYBMUJFWSA-N 1 0 319.405 3.210 20 5 DGBDRO CCOc1cccc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000545163315 314229461 /nfs/dbraw/zinc/22/94/61/314229461.db2.gz ISOYZXMZQWSVOX-AWEZNQCLSA-N 1 0 321.421 3.304 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548763629 314471971 /nfs/dbraw/zinc/47/19/71/314471971.db2.gz RHWOLXCOEDRIGW-ZIAGYGMSSA-N 1 0 319.405 3.339 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000556240355 314749880 /nfs/dbraw/zinc/74/98/80/314749880.db2.gz XNHPRJVTAQTQGM-QRTARXTBSA-N 1 0 320.433 3.445 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000556237945 314750007 /nfs/dbraw/zinc/75/00/07/314750007.db2.gz FTPPUQDCVWLJRC-HUUCEWRRSA-N 1 0 306.406 3.456 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](O)CC1 ZINC000557272407 314801295 /nfs/dbraw/zinc/80/12/95/314801295.db2.gz KSDROSOQLFJUIU-MGPQQGTHSA-N 1 0 324.446 3.359 20 5 DGBDRO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418425 315113131 /nfs/dbraw/zinc/11/31/31/315113131.db2.gz PEFCJDOTQNVZTQ-CZUORRHYSA-N 1 0 303.406 3.046 20 5 DGBDRO C[NH+](C)CCSCc1ccc(Br)cc1[N+](=O)[O-] ZINC000564954127 315214508 /nfs/dbraw/zinc/21/45/08/315214508.db2.gz OARCBTIXUVVNTN-UHFFFAOYSA-N 1 0 319.224 3.152 20 5 DGBDRO CCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000565170708 315237419 /nfs/dbraw/zinc/23/74/19/315237419.db2.gz INODBJNDUZWWIS-UHFFFAOYSA-N 1 0 304.350 3.265 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOc1ccc(F)cc1 ZINC000565218916 315243628 /nfs/dbraw/zinc/24/36/28/315243628.db2.gz TVFYKFGQNZGKFX-MRXNPFEDSA-N 1 0 316.332 3.390 20 5 DGBDRO CCOc1ccc([C@@H](C)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000565769019 315286273 /nfs/dbraw/zinc/28/62/73/315286273.db2.gz AYVVQKDNNPVCMF-CYBMUJFWSA-N 1 0 309.410 3.032 20 5 DGBDRO Cc1ccc(CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000566061203 315307987 /nfs/dbraw/zinc/30/79/87/315307987.db2.gz JQXDVLILWKMGAE-UHFFFAOYSA-N 1 0 312.369 3.340 20 5 DGBDRO COC1(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000566965920 315387002 /nfs/dbraw/zinc/38/70/02/315387002.db2.gz HTTCHAZJKGZVAI-UHFFFAOYSA-N 1 0 320.389 3.139 20 5 DGBDRO [NH3+]C[C@H]1CC[C@H](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000567673763 315440348 /nfs/dbraw/zinc/44/03/48/315440348.db2.gz GRLBMBJXLFZQIN-XYPYZODXSA-N 1 0 322.796 3.363 20 5 DGBDRO CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])OC ZINC000568334092 315503120 /nfs/dbraw/zinc/50/31/20/315503120.db2.gz TUODDXKSVPRCPU-FVQBIDKESA-N 1 0 306.406 3.321 20 5 DGBDRO CC[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000577457160 316236982 /nfs/dbraw/zinc/23/69/82/316236982.db2.gz DIFOVFVMBOFLQM-CRAIPNDOSA-N 1 0 317.433 3.436 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ncccc3O)C2)cc1 ZINC000578113309 316304154 /nfs/dbraw/zinc/30/41/54/316304154.db2.gz FKAMUGGSHKIQDM-CQSZACIVSA-N 1 0 313.357 3.075 20 5 DGBDRO CC(C)(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000181056033 323245401 /nfs/dbraw/zinc/24/54/01/323245401.db2.gz WJUOQMPISJHNLL-OAHLLOKOSA-N 1 0 320.368 3.307 20 5 DGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181358233 323252941 /nfs/dbraw/zinc/25/29/41/323252941.db2.gz MUQQCDOPMPJCQD-ZDUSSCGKSA-N 1 0 313.357 3.274 20 5 DGBDRO Cc1cc(N(C)CCOCC2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181527561 323257775 /nfs/dbraw/zinc/25/77/75/323257775.db2.gz YTMAOZFDEDGCOS-UHFFFAOYSA-N 1 0 315.373 3.314 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCCO1 ZINC000182331101 323293473 /nfs/dbraw/zinc/29/34/73/323293473.db2.gz PDHSDWGZBLDUKS-DOTOQJQBSA-N 1 0 322.405 3.429 20 5 DGBDRO CC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000182456966 323299455 /nfs/dbraw/zinc/29/94/55/323299455.db2.gz XKIXIQSOANQZFK-CYBMUJFWSA-N 1 0 319.361 3.319 20 5 DGBDRO CSC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000578642809 323763455 /nfs/dbraw/zinc/76/34/55/323763455.db2.gz CZTKUSCIBBGSJY-AWEZNQCLSA-N 1 0 322.430 3.084 20 5 DGBDRO CC(C)(C)CC[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580464777 324002207 /nfs/dbraw/zinc/00/22/07/324002207.db2.gz WVVMDZYKLYLKCN-WFASDCNBSA-N 1 0 306.406 3.359 20 5 DGBDRO CCC(=O)c1ccc(NCC2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000581166565 324081696 /nfs/dbraw/zinc/08/16/96/324081696.db2.gz TWHMMTGGGDOLHD-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO Cc1cnn(-c2cc[nH+]cc2NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000581208393 324089495 /nfs/dbraw/zinc/08/94/95/324089495.db2.gz XZVHNIIEXCYAGF-UHFFFAOYSA-N 1 0 309.329 3.096 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000581558226 324130898 /nfs/dbraw/zinc/13/08/98/324130898.db2.gz KIUMIFACZXVJSZ-WFASDCNBSA-N 1 0 302.374 3.273 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000581856791 324160194 /nfs/dbraw/zinc/16/01/94/324160194.db2.gz PYEARQDYIDODGQ-LLVKDONJSA-N 1 0 313.373 3.275 20 5 DGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@H]1O ZINC000582065801 324185608 /nfs/dbraw/zinc/18/56/08/324185608.db2.gz FTMBAHFLFQXEED-DOTOQJQBSA-N 1 0 306.406 3.356 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([NH+]2CCCCC2)CC1 ZINC000582458872 324231918 /nfs/dbraw/zinc/23/19/18/324231918.db2.gz IRHKJIUMFNFBNY-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO CCC(CC)[N@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000582809150 324277983 /nfs/dbraw/zinc/27/79/83/324277983.db2.gz IFPWIKUHEYFMPU-UHFFFAOYSA-N 1 0 307.394 3.352 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000583353975 324341965 /nfs/dbraw/zinc/34/19/65/324341965.db2.gz QXYDMQXPWRSXCZ-CYBMUJFWSA-N 1 0 321.421 3.007 20 5 DGBDRO Cc1nnsc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583502678 324362759 /nfs/dbraw/zinc/36/27/59/324362759.db2.gz AROQMTLWGPKBSC-ZDUSSCGKSA-N 1 0 318.402 3.134 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000583693497 324386025 /nfs/dbraw/zinc/38/60/25/324386025.db2.gz ULIDIULVVNSVGQ-BZSJAIEZSA-N 1 0 315.417 3.215 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429567710 533900836 /nfs/dbraw/zinc/90/08/36/533900836.db2.gz MQKDRNHZTBUPKN-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H](CCO)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000297353781 533963976 /nfs/dbraw/zinc/96/39/76/533963976.db2.gz PGDMQCKMHGMIGX-LRDDRELGSA-N 1 0 306.406 3.315 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000430092420 534078598 /nfs/dbraw/zinc/07/85/98/534078598.db2.gz ZXSFWGSZYLRZNQ-INIZCTEOSA-N 1 0 306.406 3.180 20 5 DGBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000443787478 534106578 /nfs/dbraw/zinc/10/65/78/534106578.db2.gz ILDPVBSSZSBGTK-ANXCRFRSSA-N 1 0 304.390 3.089 20 5 DGBDRO O=C(CC[NH+](C1CCC1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411755722 534392286 /nfs/dbraw/zinc/39/22/86/534392286.db2.gz HLLZEYMIFOFIKA-UHFFFAOYSA-N 1 0 317.389 3.330 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](O)C3)o2)c(Cl)c1 ZINC000294829305 534880941 /nfs/dbraw/zinc/88/09/41/534880941.db2.gz LJUSDVMOIRWOIJ-JGZJWPJOSA-N 1 0 322.748 3.121 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000294985176 534887620 /nfs/dbraw/zinc/88/76/20/534887620.db2.gz GZLZLMZIZBLBMZ-YQFWSFKMSA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157584224 526039053 /nfs/dbraw/zinc/03/90/53/526039053.db2.gz HBWPZMWZXRMDJN-GFCCVEGCSA-N 1 0 314.345 3.231 20 5 DGBDRO CC(C)([NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414796670 527258125 /nfs/dbraw/zinc/25/81/25/527258125.db2.gz CEXFDJSYGTYJDS-UHFFFAOYSA-N 1 0 323.780 3.335 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413113605 527735259 /nfs/dbraw/zinc/73/52/59/527735259.db2.gz LIZXLNCREOZPGE-UHFFFAOYSA-N 1 0 314.389 3.110 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCOCC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433120997 527743083 /nfs/dbraw/zinc/74/30/83/527743083.db2.gz PYIGLTYCAZFVRP-INIZCTEOSA-N 1 0 304.390 3.333 20 5 DGBDRO CC(C)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000444754623 527779195 /nfs/dbraw/zinc/77/91/95/527779195.db2.gz UTUBBAFEAMVVDP-KGLIPLIRSA-N 1 0 319.405 3.290 20 5 DGBDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415032105 527792982 /nfs/dbraw/zinc/79/29/82/527792982.db2.gz FMYUFIQNCANKAX-INIZCTEOSA-N 1 0 315.373 3.085 20 5 DGBDRO CC1=CC[N@H+](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000302139534 528119293 /nfs/dbraw/zinc/11/92/93/528119293.db2.gz GFMQGBWPHKGJAU-UHFFFAOYSA-N 1 0 312.373 3.207 20 5 DGBDRO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413093057 528235247 /nfs/dbraw/zinc/23/52/47/528235247.db2.gz NHQSCKRZCROCBH-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413177836 528259556 /nfs/dbraw/zinc/25/95/56/528259556.db2.gz WJXSZQZKSDLYNK-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO CC[NH2+][C@H](C)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414937039 528421083 /nfs/dbraw/zinc/42/10/83/528421083.db2.gz CBMNUOWUEQFYGI-GFCCVEGCSA-N 1 0 319.430 3.411 20 5 DGBDRO CC(C)[C@@H]([NH3+])CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423282820 528534032 /nfs/dbraw/zinc/53/40/32/528534032.db2.gz WJXPQFPEJDIOSM-ROUUACIJSA-N 1 0 313.401 3.257 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)COC)cc1[N+](=O)[O-] ZINC000293742161 528593729 /nfs/dbraw/zinc/59/37/29/528593729.db2.gz QUBDDNUALFSTLG-GFCCVEGCSA-N 1 0 310.394 3.317 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000296639344 528595313 /nfs/dbraw/zinc/59/53/13/528595313.db2.gz XYBGFDSPVJAXMF-CHWSQXEVSA-N 1 0 310.394 3.053 20 5 DGBDRO CC(C)C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444645027 528595828 /nfs/dbraw/zinc/59/58/28/528595828.db2.gz WOJWLGXMSWIMPA-GFCCVEGCSA-N 1 0 302.378 3.339 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000305724186 528607390 /nfs/dbraw/zinc/60/73/90/528607390.db2.gz FOQQEHVKNTZPCX-KCQAQPDRSA-N 1 0 322.405 3.195 20 5 DGBDRO CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)CO ZINC000292871323 528770853 /nfs/dbraw/zinc/77/08/53/528770853.db2.gz WNDGIPKQAOWKNW-GFCCVEGCSA-N 1 0 304.346 3.058 20 5 DGBDRO CC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444641025 529217980 /nfs/dbraw/zinc/21/79/80/529217980.db2.gz OLYVDCDHEHCHIT-LBPRGKRZSA-N 1 0 302.378 3.483 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429774997 529234895 /nfs/dbraw/zinc/23/48/95/529234895.db2.gz ORJBSHYNTJXZKI-SMDDNHRTSA-N 1 0 316.361 3.313 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429785929 529312404 /nfs/dbraw/zinc/31/24/04/529312404.db2.gz LFDOZNAMLBGMMK-XQQFMLRXSA-N 1 0 305.378 3.090 20 5 DGBDRO CCCc1csc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000494006912 535452018 /nfs/dbraw/zinc/45/20/18/535452018.db2.gz MOENXBGEWPLFAR-UHFFFAOYSA-N 1 0 305.403 3.336 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)O ZINC000449538727 535805821 /nfs/dbraw/zinc/80/58/21/535805821.db2.gz HSCPGXCMBALYHL-XHDPSFHLSA-N 1 0 304.346 3.104 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000468561152 536798532 /nfs/dbraw/zinc/79/85/32/536798532.db2.gz SCKXHYQPLGHJGO-APHBMKBZSA-N 1 0 306.406 3.319 20 5 DGBDRO COC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000449180195 536877678 /nfs/dbraw/zinc/87/76/78/536877678.db2.gz YUFYPZUNMIUYGA-JSGCOSHPSA-N 1 0 304.346 3.096 20 5 DGBDRO COc1cccc2c1CC[C@@H]2[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000468001957 536946886 /nfs/dbraw/zinc/94/68/86/536946886.db2.gz WKDLUJDJFFIXCN-INIZCTEOSA-N 1 0 312.369 3.423 20 5 DGBDRO CC(C)[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000741012914 574523811 /nfs/dbraw/zinc/52/38/11/574523811.db2.gz WWFVXGHVHKNQIL-MRXNPFEDSA-N 1 0 320.389 3.149 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731210042 574545159 /nfs/dbraw/zinc/54/51/59/574545159.db2.gz KSBZWKNCZPWNQH-JTQLQIEISA-N 1 0 308.407 3.347 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731210043 574545366 /nfs/dbraw/zinc/54/53/66/574545366.db2.gz KSBZWKNCZPWNQH-SNVBAGLBSA-N 1 0 308.407 3.347 20 5 DGBDRO CC[NH+]1CCC(N(C)c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000733186170 574605408 /nfs/dbraw/zinc/60/54/08/574605408.db2.gz STBAIZZDXFHULS-UHFFFAOYSA-N 1 0 320.418 3.125 20 5 DGBDRO CCCCC[N@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000734829464 574679352 /nfs/dbraw/zinc/67/93/52/574679352.db2.gz OIMMLKQMCFPCOG-UHFFFAOYSA-N 1 0 321.377 3.361 20 5 DGBDRO CC[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000738253966 574863067 /nfs/dbraw/zinc/86/30/67/574863067.db2.gz JVAXSQFYHMSTQV-CYBMUJFWSA-N 1 0 302.378 3.414 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000740887033 574945014 /nfs/dbraw/zinc/94/50/14/574945014.db2.gz OMUQQLZYYFJLIF-LSDHHAIUSA-N 1 0 310.369 3.369 20 5 DGBDRO CC(C)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000742168900 574983286 /nfs/dbraw/zinc/98/32/86/574983286.db2.gz JBMGZCLMSVJUFM-UHFFFAOYSA-N 1 0 302.378 3.270 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000742426259 574999265 /nfs/dbraw/zinc/99/92/65/574999265.db2.gz MGXKZZPGPTZAMP-GFCCVEGCSA-N 1 0 320.418 3.125 20 5 DGBDRO C[C@@H]1CCC[N@@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000742425955 574999379 /nfs/dbraw/zinc/99/93/79/574999379.db2.gz RIEMKQONQYTLNG-SNVBAGLBSA-N 1 0 306.391 3.101 20 5 DGBDRO CC[N@@H+]1CCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000743358677 575045324 /nfs/dbraw/zinc/04/53/24/575045324.db2.gz OFTYDCPFIGAHNP-LLVKDONJSA-N 1 0 306.391 3.101 20 5 DGBDRO CC[N@@H+]1CCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000743358936 575045624 /nfs/dbraw/zinc/04/56/24/575045624.db2.gz OFTYDCPFIGAHNP-NSHDSACASA-N 1 0 306.391 3.101 20 5 DGBDRO CC[C@@H](C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000744361480 575338616 /nfs/dbraw/zinc/33/86/16/575338616.db2.gz MCBBWRWECNRQJQ-WFASDCNBSA-N 1 0 308.378 3.319 20 5 DGBDRO CC(C)[NH+](CCCNc1nc2ccccn2c1[N+](=O)[O-])C(C)C ZINC000746392010 575450346 /nfs/dbraw/zinc/45/03/46/575450346.db2.gz RBZFTTVREQVJEN-UHFFFAOYSA-N 1 0 319.409 3.163 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000746674894 575468811 /nfs/dbraw/zinc/46/88/11/575468811.db2.gz YKLDJKSGEWPESB-OAHLLOKOSA-N 1 0 323.824 3.308 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3c2cccc3F)cc1 ZINC000747815915 575543021 /nfs/dbraw/zinc/54/30/21/575543021.db2.gz YRXNKOCQENHLCN-IAGOWNOFSA-N 1 0 316.332 3.044 20 5 DGBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000749637574 575670723 /nfs/dbraw/zinc/67/07/23/575670723.db2.gz BRWXUURESIORHI-KBXCAEBGSA-N 1 0 314.385 3.412 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cc3ccccc3o2)c1 ZINC000749674364 575672086 /nfs/dbraw/zinc/67/20/86/575672086.db2.gz IENVPGWIIXZNLO-MRXNPFEDSA-N 1 0 312.325 3.164 20 5 DGBDRO CC[C@@]1(C)CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749960233 575692812 /nfs/dbraw/zinc/69/28/12/575692812.db2.gz NSMOQHFVVKQWHB-INIZCTEOSA-N 1 0 317.393 3.118 20 5 DGBDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(C)C ZINC000726971648 576089583 /nfs/dbraw/zinc/08/95/83/576089583.db2.gz MYWBJMZLDDAGGZ-UHFFFAOYSA-N 1 0 313.785 3.165 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccccc2Cl)c1 ZINC000749643186 576098523 /nfs/dbraw/zinc/09/85/23/576098523.db2.gz ADGBVTXBPMVFOK-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000728783056 576201819 /nfs/dbraw/zinc/20/18/19/576201819.db2.gz YTDRXOYGFFOYTQ-CQSZACIVSA-N 1 0 300.358 3.460 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000852649875 620637772 /nfs/dbraw/zinc/63/77/72/620637772.db2.gz CPOBYGZETFDHDR-OJSNXCTFSA-N 1 0 310.369 3.135 20 5 DGBDRO CC[N@H+](CCc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917468637 620670796 /nfs/dbraw/zinc/67/07/96/620670796.db2.gz JAUSYLCMWULLDI-UHFFFAOYSA-N 1 0 324.384 3.467 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000918197527 620700536 /nfs/dbraw/zinc/70/05/36/620700536.db2.gz ITULFTMINIFNQI-MRXNPFEDSA-N 1 0 320.776 3.380 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853535016 620707097 /nfs/dbraw/zinc/70/70/97/620707097.db2.gz RCDHJLJQVOESLV-GFCCVEGCSA-N 1 0 313.348 3.453 20 5 DGBDRO CN(c1cc(Cl)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804815705 617675290 /nfs/dbraw/zinc/67/52/90/617675290.db2.gz YFLBTOWREZGKKV-FUNVUKJBSA-N 1 0 309.797 3.310 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C2CC2)C2CCCC2)c1[N+](=O)[O-] ZINC000891600082 617850884 /nfs/dbraw/zinc/85/08/84/617850884.db2.gz PYTGWNCFOWTXDI-UHFFFAOYSA-N 1 0 306.362 3.216 20 5 DGBDRO C[NH+](C)C1(C)CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000894851150 618475442 /nfs/dbraw/zinc/47/54/42/618475442.db2.gz LDWXFQLNTAQKLM-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)C[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000893521363 618582582 /nfs/dbraw/zinc/58/25/82/618582582.db2.gz DBHZPDSMGHQQHW-LBPRGKRZSA-N 1 0 306.362 3.097 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000893615839 618617214 /nfs/dbraw/zinc/61/72/14/618617214.db2.gz BLOKMNJHLWBPNO-DZGCQCFKSA-N 1 0 310.781 3.295 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000895622650 618808350 /nfs/dbraw/zinc/80/83/50/618808350.db2.gz IGJOYVQGWVCJGO-DKTWLAJQSA-N 1 0 319.188 3.416 20 5 DGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](O)c1ccccc1 ZINC000895657832 618812864 /nfs/dbraw/zinc/81/28/64/618812864.db2.gz DZWJAUCAMCKAAC-INIZCTEOSA-N 1 0 318.348 3.336 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000895892022 618846367 /nfs/dbraw/zinc/84/63/67/618846367.db2.gz MMRSIYCVEUAZPH-OAHLLOKOSA-N 1 0 314.389 3.403 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000896584675 618930762 /nfs/dbraw/zinc/93/07/62/618930762.db2.gz QSFCXNMKMVNUDX-CYBMUJFWSA-N 1 0 316.357 3.466 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000896951784 618993061 /nfs/dbraw/zinc/99/30/61/618993061.db2.gz LUGPNBMLTJQNLK-NXEZZACHSA-N 1 0 307.375 3.110 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCOC12CCCCC2 ZINC000925151118 619052794 /nfs/dbraw/zinc/05/27/94/619052794.db2.gz AANDBBRKDOFUJI-INIZCTEOSA-N 1 0 304.390 3.219 20 5 DGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccnn1C1CCC1 ZINC000925153662 619055425 /nfs/dbraw/zinc/05/54/25/619055425.db2.gz MSYOXMZHELPVCJ-ZDUSSCGKSA-N 1 0 314.389 3.410 20 5 DGBDRO Cc1c(Cl)c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])nn1C ZINC000897459963 619129903 /nfs/dbraw/zinc/12/99/03/619129903.db2.gz DOSCACRIAKNBQT-JTQLQIEISA-N 1 0 322.796 3.183 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000897463141 619130572 /nfs/dbraw/zinc/13/05/72/619130572.db2.gz BPCAJHOUULUOQV-JMGFVUJMSA-N 1 0 324.446 3.197 20 5 DGBDRO Cc1nc(F)ccc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463777 619130639 /nfs/dbraw/zinc/13/06/39/619130639.db2.gz ITQVHBLNSGLHCK-NSHDSACASA-N 1 0 303.337 3.331 20 5 DGBDRO COC(=O)C1CCC([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897463476 619130678 /nfs/dbraw/zinc/13/06/78/619130678.db2.gz GSTQPNAGYOIXSV-HSBZDZAISA-N 1 0 320.389 3.020 20 5 DGBDRO CC[C@@H]1C[C@@H](C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000897466398 619130857 /nfs/dbraw/zinc/13/08/57/619130857.db2.gz SZLNVUARPLQFKL-SOUVJXGZSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@@H](C[NH2+]Cc1nn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000897469938 619131836 /nfs/dbraw/zinc/13/18/36/619131836.db2.gz UHLNWIZGAMFRFJ-ZDUSSCGKSA-N 1 0 324.384 3.375 20 5 DGBDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000897525413 619148445 /nfs/dbraw/zinc/14/84/45/619148445.db2.gz NCPVCQLVDOPHAE-ZDUSSCGKSA-N 1 0 320.311 3.168 20 5 DGBDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000897526330 619148620 /nfs/dbraw/zinc/14/86/20/619148620.db2.gz ZWAARXHDULHMBF-CYBMUJFWSA-N 1 0 320.311 3.168 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C3(O)CCC3)CC2)cc1Cl ZINC000897528237 619149299 /nfs/dbraw/zinc/14/92/99/619149299.db2.gz ARHCPBFDILTMFG-UHFFFAOYSA-N 1 0 310.781 3.033 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897539097 619152400 /nfs/dbraw/zinc/15/24/00/619152400.db2.gz NGIRYFDINRCQFQ-XNHCWWPPSA-N 1 0 304.390 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@H]2CCCC[C@H]2O)c1 ZINC000897539250 619152596 /nfs/dbraw/zinc/15/25/96/619152596.db2.gz VOCRKNRBMCADLV-IAQYHMDHSA-N 1 0 312.797 3.279 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897955990 619198407 /nfs/dbraw/zinc/19/84/07/619198407.db2.gz ZXHSDJDDZPJKCH-GUYJKWIASA-N 1 0 317.389 3.090 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CCC[C@H]34)CC2)cc1 ZINC000897955734 619198511 /nfs/dbraw/zinc/19/85/11/619198511.db2.gz YASPRPJWFPBZAF-DOPJRALCSA-N 1 0 315.417 3.342 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]C3CCC3)CC2)c(Cl)c1 ZINC000897981174 619203037 /nfs/dbraw/zinc/20/30/37/619203037.db2.gz JHHMBCSUKKYVGB-UHFFFAOYSA-N 1 0 323.824 3.355 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC([NH2+]C2CCC2)CC1 ZINC000897981866 619203154 /nfs/dbraw/zinc/20/31/54/619203154.db2.gz SPVFNPFPIURVCQ-XQRVVYSFSA-N 1 0 315.417 3.215 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCC=CCCC3)C2)c1 ZINC000898027879 619207657 /nfs/dbraw/zinc/20/76/57/619207657.db2.gz BWJCJCVHPSLRLW-WLYUNCDWSA-N 1 0 304.394 3.221 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@H](O)C2CC2)o1 ZINC000898206664 619221472 /nfs/dbraw/zinc/22/14/72/619221472.db2.gz RYZFOAPXDDXCJZ-INIZCTEOSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898198335 619225921 /nfs/dbraw/zinc/22/59/21/619225921.db2.gz QEZMEZGLPPIIRW-LBPRGKRZSA-N 1 0 319.188 3.152 20 5 DGBDRO Cc1ncccc1CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000898249769 619228345 /nfs/dbraw/zinc/22/83/45/619228345.db2.gz DZFQUEQYZXGVDY-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898381923 619240529 /nfs/dbraw/zinc/24/05/29/619240529.db2.gz OWBAHKVGQYJDEN-DKVJVPTRSA-N 1 0 302.374 3.013 20 5 DGBDRO C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000926939642 619251133 /nfs/dbraw/zinc/25/11/33/619251133.db2.gz XGTYNDWHQGPHDA-LLVKDONJSA-N 1 0 317.414 3.433 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000899936966 619384471 /nfs/dbraw/zinc/38/44/71/619384471.db2.gz KOCVAOHHQIZNDM-ZFWWWQNUSA-N 1 0 317.389 3.167 20 5 DGBDRO Cc1c([C@@H](C)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000902437048 619635706 /nfs/dbraw/zinc/63/57/06/619635706.db2.gz GZGVXRWLVAPGGV-XHBKTUGNSA-N 1 0 311.385 3.179 20 5 DGBDRO COc1cccc(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)c1 ZINC000903057803 619707222 /nfs/dbraw/zinc/70/72/22/619707222.db2.gz FKGKEUHLCSIIJG-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCCOCC2CC2)cc([N+](=O)[O-])c1 ZINC000903060429 619707917 /nfs/dbraw/zinc/70/79/17/619707917.db2.gz YWFLPRSBDGCIHW-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cn(C)nc2C)cc([N+](=O)[O-])c1 ZINC000903090779 619714595 /nfs/dbraw/zinc/71/45/95/619714595.db2.gz HFXVWJTVBJRBBD-QWRGUYRKSA-N 1 0 318.377 3.057 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc([N+](=O)[O-])c1 ZINC000903099676 619716409 /nfs/dbraw/zinc/71/64/09/619716409.db2.gz LIFCKDOKTFGLFM-ZWMNYZCKSA-N 1 0 320.389 3.068 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)cc([N+](=O)[O-])c1 ZINC000903125663 619722113 /nfs/dbraw/zinc/72/21/13/619722113.db2.gz NFDOCVUHKHWKMK-OCCSQVGLSA-N 1 0 320.389 3.356 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](CO)CCC(C)C)cc([N+](=O)[O-])c1 ZINC000903208127 619738828 /nfs/dbraw/zinc/73/88/28/619738828.db2.gz ZTOZDIALKDELNP-TZMCWYRMSA-N 1 0 310.394 3.051 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000903246348 619742367 /nfs/dbraw/zinc/74/23/67/619742367.db2.gz SYZKHXOQYDNQJX-TZMCWYRMSA-N 1 0 302.378 3.173 20 5 DGBDRO C[C@@H]([NH2+]CC(C)(C)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903244275 619743341 /nfs/dbraw/zinc/74/33/41/619743341.db2.gz QCSSBICODMBGAX-GFCCVEGCSA-N 1 0 321.421 3.280 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000903252096 619744970 /nfs/dbraw/zinc/74/49/70/619744970.db2.gz LZBUESSWSROHET-RGYTYGDFSA-N 1 0 322.380 3.212 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc([N+](=O)[O-])c1 ZINC000903263117 619747329 /nfs/dbraw/zinc/74/73/29/619747329.db2.gz KLDHIMFFJXWZSD-IGCXYCKISA-N 1 0 322.405 3.195 20 5 DGBDRO CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246415 619747855 /nfs/dbraw/zinc/74/78/55/619747855.db2.gz UZHMOGFBNQUFIW-ZBFHGGJFSA-N 1 0 316.405 3.209 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCOC12CCCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903269337 619749563 /nfs/dbraw/zinc/74/95/63/619749563.db2.gz WCIHXJDECWDTRW-MLGOLLRUSA-N 1 0 319.405 3.319 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C2CC3(C2)CO[C@H](C)C3)cc([N+](=O)[O-])c1 ZINC000903278898 619751403 /nfs/dbraw/zinc/75/14/03/619751403.db2.gz IEHOQXWMDBLZIE-VVHHKKIDSA-N 1 0 320.389 3.212 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC000903325724 619761348 /nfs/dbraw/zinc/76/13/48/619761348.db2.gz MLDUKODCQNCWOI-NSHDSACASA-N 1 0 312.329 3.290 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CC[C@H](O)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000903407504 619771790 /nfs/dbraw/zinc/77/17/90/619771790.db2.gz OUQARXYGBWFXGE-CVEARBPZSA-N 1 0 304.390 3.068 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](O)C1CC1 ZINC000903410354 619772096 /nfs/dbraw/zinc/77/20/96/619772096.db2.gz GOBBUODXNPYCKQ-IINYFYTJSA-N 1 0 310.419 3.128 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2cccnc2C)cc([N+](=O)[O-])c1 ZINC000903418825 619773302 /nfs/dbraw/zinc/77/33/02/619773302.db2.gz OLWZKUPHXDCKJH-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cccnc1C ZINC000903419507 619773425 /nfs/dbraw/zinc/77/34/25/619773425.db2.gz ZVXKJRSVBVKYOK-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO CCC[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903438850 619775444 /nfs/dbraw/zinc/77/54/44/619775444.db2.gz YBTWVLHEGRFBQT-IKGGRYGDSA-N 1 0 304.390 3.451 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@H]2CCCC2(F)F)cc1 ZINC000905422848 619996400 /nfs/dbraw/zinc/99/64/00/619996400.db2.gz LBHRLGOTBPEUFH-OCCSQVGLSA-N 1 0 314.332 3.043 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCSC3(CCC3)C2)cc1 ZINC000905601264 620008739 /nfs/dbraw/zinc/00/87/39/620008739.db2.gz OSCZJXXMBGYPCS-UKRRQHHQSA-N 1 0 322.430 3.036 20 5 DGBDRO Cc1cccc([C@H](O)C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000905643378 620016096 /nfs/dbraw/zinc/01/60/96/620016096.db2.gz LGNBGHFDUJJOTA-RDTXWAMCSA-N 1 0 314.385 3.330 20 5 DGBDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000905740595 620025208 /nfs/dbraw/zinc/02/52/08/620025208.db2.gz LAMQMCPHEFCORL-DZGCQCFKSA-N 1 0 300.362 3.017 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@H+](C2CC2)C2CCCC2)c1 ZINC000915208703 620573639 /nfs/dbraw/zinc/57/36/39/620573639.db2.gz NICPHTGVFOBADU-UHFFFAOYSA-N 1 0 300.362 3.309 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000922048885 620983082 /nfs/dbraw/zinc/98/30/82/620983082.db2.gz QGJKHRNQDLMDST-FVQBIDKESA-N 1 0 304.390 3.198 20 5 DGBDRO Cc1c(C[NH2+]Cc2cnn(C3CCC3)c2)cccc1[N+](=O)[O-] ZINC000922048113 620983480 /nfs/dbraw/zinc/98/34/80/620983480.db2.gz BJFCFWDUSTXJAK-UHFFFAOYSA-N 1 0 300.362 3.115 20 5 DGBDRO COc1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000856806846 621023901 /nfs/dbraw/zinc/02/39/01/621023901.db2.gz JQIZVEZEFMWXLB-SNVBAGLBSA-N 1 0 319.188 3.277 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c(F)c1 ZINC000856805830 621024182 /nfs/dbraw/zinc/02/41/82/621024182.db2.gz XCKGJXQAJMQGFY-SECBINFHSA-N 1 0 307.152 3.407 20 5 DGBDRO COc1cncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000922541247 621053664 /nfs/dbraw/zinc/05/36/64/621053664.db2.gz OYNAVRFTFDISPW-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO Cc1cc(CO)cc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922560030 621055332 /nfs/dbraw/zinc/05/53/32/621055332.db2.gz HWEHJNPPAGTDGH-UHFFFAOYSA-N 1 0 318.348 3.133 20 5 DGBDRO C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000857082896 621056665 /nfs/dbraw/zinc/05/66/65/621056665.db2.gz RQOIHDRRWYLMFT-PSASIEDQSA-N 1 0 318.204 3.412 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922676545 621079421 /nfs/dbraw/zinc/07/94/21/621079421.db2.gz AXUBXKCYCUQFHI-DGCLKSJQSA-N 1 0 318.295 3.184 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000922697768 621084187 /nfs/dbraw/zinc/08/41/87/621084187.db2.gz VDKDLPSDUSFWRC-CHWSQXEVSA-N 1 0 318.295 3.184 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000922897173 621128478 /nfs/dbraw/zinc/12/84/78/621128478.db2.gz MHUBBFONSGPUJO-AWHHDIADSA-N 1 0 316.401 3.403 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3ccc(Cl)nc32)c1 ZINC000857906839 621130157 /nfs/dbraw/zinc/13/01/57/621130157.db2.gz INZXRFZKBLJMEP-AWEZNQCLSA-N 1 0 317.776 3.463 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H]2OCCc3ccccc32)c1 ZINC000922964290 621141067 /nfs/dbraw/zinc/14/10/67/621141067.db2.gz RHXKDFIWMYFJHO-SFHVURJKSA-N 1 0 312.369 3.389 20 5 DGBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000858428067 621189539 /nfs/dbraw/zinc/18/95/39/621189539.db2.gz NNNQAJVSKGISJG-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000858437204 621190916 /nfs/dbraw/zinc/19/09/16/621190916.db2.gz WROCRLBXNQTYMS-KGLIPLIRSA-N 1 0 314.389 3.428 20 5 DGBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000788114726 621275255 /nfs/dbraw/zinc/27/52/55/621275255.db2.gz IEJXKGCYPVWFBM-NEPJUHHUSA-N 1 0 324.764 3.032 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000838987834 621311281 /nfs/dbraw/zinc/31/12/81/621311281.db2.gz WNWQJGDOBLLLLP-SFHVURJKSA-N 1 0 312.369 3.295 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C12CCC2 ZINC000839183800 621344239 /nfs/dbraw/zinc/34/42/39/621344239.db2.gz ZJPKHEIEDGAPRN-ZIAGYGMSSA-N 1 0 310.781 3.295 20 5 DGBDRO CC1CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000103457498 621378166 /nfs/dbraw/zinc/37/81/66/621378166.db2.gz IERCHBBCBNLMPW-UHFFFAOYSA-N 1 0 300.362 3.148 20 5 DGBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839479729 621379849 /nfs/dbraw/zinc/37/98/49/621379849.db2.gz GTUUMOBGUXSGNO-CYBMUJFWSA-N 1 0 323.780 3.061 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C[N@@H+]1C1CC1 ZINC000754024408 621480436 /nfs/dbraw/zinc/48/04/36/621480436.db2.gz KPAARNOSZPUOPY-NXEZZACHSA-N 1 0 318.402 3.242 20 5 DGBDRO CCC[NH+](CCC)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754244407 621498867 /nfs/dbraw/zinc/49/88/67/621498867.db2.gz RVKAMYUUPOGDQM-UHFFFAOYSA-N 1 0 313.785 3.309 20 5 DGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1csc2ccccc12 ZINC000754730934 621529037 /nfs/dbraw/zinc/52/90/37/621529037.db2.gz JXBGEFAFHSYMHZ-LLVKDONJSA-N 1 0 316.386 3.357 20 5 DGBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000755915795 621602939 /nfs/dbraw/zinc/60/29/39/621602939.db2.gz FSNPFBUXHVYLHP-CYBMUJFWSA-N 1 0 323.824 3.416 20 5 DGBDRO CC(C)[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000755920936 621603433 /nfs/dbraw/zinc/60/34/33/621603433.db2.gz NDVNDZDBGHRNEG-HNNXBMFYSA-N 1 0 314.389 3.394 20 5 DGBDRO CC1(C)CCC[C@H]1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863560399 621683486 /nfs/dbraw/zinc/68/34/86/621683486.db2.gz HKTYOUBDJWNGPI-HOCLYGCPSA-N 1 0 306.406 3.434 20 5 DGBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc(C[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000863715413 621703186 /nfs/dbraw/zinc/70/31/86/621703186.db2.gz QZIOWDPPMTXZEW-INIZCTEOSA-N 1 0 312.369 3.049 20 5 DGBDRO CC[N@@H+](Cc1occc1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839664006 621705976 /nfs/dbraw/zinc/70/59/76/621705976.db2.gz WOWCHUKSTOPJMB-HNNXBMFYSA-N 1 0 304.346 3.052 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000757864950 621743893 /nfs/dbraw/zinc/74/38/93/621743893.db2.gz CVCOMRCSUYQZDW-ILXRZTDVSA-N 1 0 324.471 3.372 20 5 DGBDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000120222235 621810592 /nfs/dbraw/zinc/81/05/92/621810592.db2.gz BPJOZXHIJKFQPT-HZPDHXFCSA-N 1 0 314.389 3.407 20 5 DGBDRO Cc1ccc(C)c(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000759644545 621879075 /nfs/dbraw/zinc/87/90/75/621879075.db2.gz NKLHVPFGPSPXOC-SFHVURJKSA-N 1 0 314.385 3.377 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC34CCCC4)CC2)cc1 ZINC000760039828 621912299 /nfs/dbraw/zinc/91/22/99/621912299.db2.gz GEMQPYRKFRTVSH-KRWDZBQOSA-N 1 0 315.417 3.486 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865487199 621933859 /nfs/dbraw/zinc/93/38/59/621933859.db2.gz BGLWVNPPJQWEAG-NSHDSACASA-N 1 0 313.348 3.499 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865524211 621942678 /nfs/dbraw/zinc/94/26/78/621942678.db2.gz SUAHYYFJKCNVMM-UHFFFAOYSA-N 1 0 320.780 3.112 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865784617 621995094 /nfs/dbraw/zinc/99/50/94/621995094.db2.gz GIXQQCZKSSGYFH-WFASDCNBSA-N 1 0 324.808 3.401 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCSCCC(F)(F)F)c1 ZINC000865788772 621995903 /nfs/dbraw/zinc/99/59/03/621995903.db2.gz DMICUCOBQBCFRD-UHFFFAOYSA-N 1 0 308.325 3.370 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000865788125 621996078 /nfs/dbraw/zinc/99/60/78/621996078.db2.gz ZLRKVRCOGHCFGH-WCQYABFASA-N 1 0 318.295 3.103 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000865788124 621996267 /nfs/dbraw/zinc/99/62/67/621996267.db2.gz ZLRKVRCOGHCFGH-DGCLKSJQSA-N 1 0 318.295 3.103 20 5 DGBDRO COc1ccc(C[NH2+]CC(C)(C)C(C)(F)F)cc1[N+](=O)[O-] ZINC000865789746 621996402 /nfs/dbraw/zinc/99/64/02/621996402.db2.gz QGORYDREMAPCMD-UHFFFAOYSA-N 1 0 302.321 3.374 20 5 DGBDRO Cc1nn(C[N@H+]2CCC[C@@H]2C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761287733 621999250 /nfs/dbraw/zinc/99/92/50/621999250.db2.gz AYWYUNDSAJAGMX-OAHLLOKOSA-N 1 0 302.378 3.331 20 5 DGBDRO Cc1ccc(C[NH2+]CCc2cn(C)c3ncccc23)cc1[N+](=O)[O-] ZINC000865812746 622000102 /nfs/dbraw/zinc/00/01/02/622000102.db2.gz YLORGSPTNCTWFN-UHFFFAOYSA-N 1 0 324.384 3.122 20 5 DGBDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000865872302 622012596 /nfs/dbraw/zinc/01/25/96/622012596.db2.gz KLQQAMVYXSRWOD-GXTWGEPZSA-N 1 0 318.373 3.494 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000761516113 622014324 /nfs/dbraw/zinc/01/43/24/622014324.db2.gz ZBOJYWVEZLAQPE-KGLIPLIRSA-N 1 0 324.808 3.497 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC1CC[NH+](C(C)C)CC1 ZINC000866086213 622044010 /nfs/dbraw/zinc/04/40/10/622044010.db2.gz SOGPEYKLHQTCJM-UHFFFAOYSA-N 1 0 323.441 3.042 20 5 DGBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000762139442 622056547 /nfs/dbraw/zinc/05/65/47/622056547.db2.gz ADNAZDZVCDNCRZ-GFCCVEGCSA-N 1 0 300.362 3.167 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOCC1CC1 ZINC000866219357 622068870 /nfs/dbraw/zinc/06/88/70/622068870.db2.gz MINYKVZNHUTRMY-LBPRGKRZSA-N 1 0 310.369 3.071 20 5 DGBDRO Cc1cccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866239898 622073718 /nfs/dbraw/zinc/07/37/18/622073718.db2.gz VYVHAVZRLRKCFL-LBPRGKRZSA-N 1 0 303.337 3.158 20 5 DGBDRO Cc1ncsc1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866261387 622078710 /nfs/dbraw/zinc/07/87/10/622078710.db2.gz SNNUCVUXBRLDKP-VIFPVBQESA-N 1 0 309.366 3.220 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC(C)(C)CO ZINC000866272967 622082021 /nfs/dbraw/zinc/08/20/21/622082021.db2.gz ZPJGURATEPNPDD-LBPRGKRZSA-N 1 0 312.385 3.053 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000762617863 622086912 /nfs/dbraw/zinc/08/69/12/622086912.db2.gz UVXPILAVJIVURK-HZSPNIEDSA-N 1 0 310.444 3.064 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000762619909 622087298 /nfs/dbraw/zinc/08/72/98/622087298.db2.gz XTAFYFPMWPCTCD-MCIONIFRSA-N 1 0 310.444 3.064 20 5 DGBDRO Cc1cnccc1CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866309419 622090595 /nfs/dbraw/zinc/09/05/95/622090595.db2.gz GBKULIOLCPQYGU-ZDUSSCGKSA-N 1 0 317.364 3.201 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000866311710 622091196 /nfs/dbraw/zinc/09/11/96/622091196.db2.gz VHKJIHZIGQWCDG-BXUZGUMPSA-N 1 0 310.369 3.212 20 5 DGBDRO CC[C@@H](CSC)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866313568 622091705 /nfs/dbraw/zinc/09/17/05/622091705.db2.gz CYCVVFGSNONTLM-GWCFXTLKSA-N 1 0 300.399 3.396 20 5 DGBDRO Cc1nnc([C@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866338189 622096910 /nfs/dbraw/zinc/09/69/10/622096910.db2.gz PEZDSUQZUVUPSO-BDAKNGLRSA-N 1 0 324.381 3.176 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccsc1 ZINC000866342638 622098299 /nfs/dbraw/zinc/09/82/99/622098299.db2.gz XVYKPLUREQUCOF-QMTHXVAHSA-N 1 0 324.377 3.050 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccsc1 ZINC000866342636 622098733 /nfs/dbraw/zinc/09/87/33/622098733.db2.gz XVYKPLUREQUCOF-HZMBPMFUSA-N 1 0 324.377 3.050 20 5 DGBDRO CCC(O)(CC)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866347582 622099503 /nfs/dbraw/zinc/09/95/03/622099503.db2.gz LEPBYXDMSOQRLY-LBPRGKRZSA-N 1 0 312.385 3.196 20 5 DGBDRO CCOC1CC(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866349164 622100342 /nfs/dbraw/zinc/10/03/42/622100342.db2.gz YWIAUZJSQFKEJN-VEAWUBTESA-N 1 0 324.396 3.460 20 5 DGBDRO CCSCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866351638 622100730 /nfs/dbraw/zinc/10/07/30/622100730.db2.gz CQYNLUKDJXAECT-NSHDSACASA-N 1 0 300.399 3.398 20 5 DGBDRO COCC1(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866364940 622103379 /nfs/dbraw/zinc/10/33/79/622103379.db2.gz SYJSJOWUHQMEQC-ZDUSSCGKSA-N 1 0 324.396 3.461 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000866367952 622104478 /nfs/dbraw/zinc/10/44/78/622104478.db2.gz RUPLOPCYRWBNRQ-SUNKGSAMSA-N 1 0 318.352 3.157 20 5 DGBDRO COC1([C@@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866374556 622106102 /nfs/dbraw/zinc/10/61/02/622106102.db2.gz JXPRBPGGMLTWSG-VXGBXAGGSA-N 1 0 310.369 3.212 20 5 DGBDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000866378409 622106430 /nfs/dbraw/zinc/10/64/30/622106430.db2.gz PYFCQDCAIOOPKX-BYCMXARLSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOC(C)(C)C ZINC000866388603 622108732 /nfs/dbraw/zinc/10/87/32/622108732.db2.gz DAPKJSOZJRWMSI-GFCCVEGCSA-N 1 0 312.385 3.460 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000866425592 622115832 /nfs/dbraw/zinc/11/58/32/622115832.db2.gz NDQGJMXGNUOWLK-GXTWGEPZSA-N 1 0 322.405 3.343 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866539879 622135104 /nfs/dbraw/zinc/13/51/04/622135104.db2.gz RKCOZAMAQBRVPD-RRQGHBQHSA-N 1 0 316.401 3.234 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000866541282 622135606 /nfs/dbraw/zinc/13/56/06/622135606.db2.gz XPKCMCYVPLLVRO-LBPRGKRZSA-N 1 0 316.357 3.468 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1ccc([N+](=O)[O-])cc1 ZINC000866562319 622138449 /nfs/dbraw/zinc/13/84/49/622138449.db2.gz RIIGPKULKVWKEC-SCLBCKFNSA-N 1 0 311.385 3.432 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1cccc([N+](=O)[O-])c1 ZINC000866562372 622138693 /nfs/dbraw/zinc/13/86/93/622138693.db2.gz RPAVWIYYNPMLMX-SCLBCKFNSA-N 1 0 311.385 3.432 20 5 DGBDRO Cc1nn(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000765062045 622242931 /nfs/dbraw/zinc/24/29/31/622242931.db2.gz ZGZXOWIHGZRKCK-ZIAGYGMSSA-N 1 0 314.389 3.332 20 5 DGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765058718 622243131 /nfs/dbraw/zinc/24/31/31/622243131.db2.gz XIQNDJXCTJBZNQ-DGCLKSJQSA-N 1 0 302.378 3.331 20 5 DGBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765850283 622291265 /nfs/dbraw/zinc/29/12/65/622291265.db2.gz WTAXPVYBMRTUEG-QZTJIDSGSA-N 1 0 312.369 3.214 20 5 DGBDRO COC[C@@H]1CCCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000767940221 622429663 /nfs/dbraw/zinc/42/96/63/622429663.db2.gz ITICEALSPIYHGD-GFCCVEGCSA-N 1 0 312.797 3.497 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881810480 625568606 /nfs/dbraw/zinc/56/86/06/625568606.db2.gz XFYRQSUENXVDDN-GFCCVEGCSA-N 1 0 310.373 3.053 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016321 622752424 /nfs/dbraw/zinc/75/24/24/622752424.db2.gz HYYWSZZHBXJAOB-XHDPSFHLSA-N 1 0 304.321 3.118 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)c1ccco1 ZINC000872021095 622756632 /nfs/dbraw/zinc/75/66/32/622756632.db2.gz OFPVDFDUOUDKOY-GWCFXTLKSA-N 1 0 322.386 3.294 20 5 DGBDRO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028911 622761824 /nfs/dbraw/zinc/76/18/24/622761824.db2.gz NGFYVDMKQLIOLW-GFCCVEGCSA-N 1 0 321.396 3.401 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872031131 622762727 /nfs/dbraw/zinc/76/27/27/622762727.db2.gz GQPZHORCPZSJHY-BBRMVZONSA-N 1 0 322.405 3.287 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@](C)(O)C(C)C ZINC000872033304 622764849 /nfs/dbraw/zinc/76/48/49/622764849.db2.gz BLHXQNHFNWPVTP-ABAIWWIYSA-N 1 0 312.435 3.374 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000872033437 622765142 /nfs/dbraw/zinc/76/51/42/622765142.db2.gz HHSMTKYNQSJPDD-NEPJUHHUSA-N 1 0 321.446 3.204 20 5 DGBDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036315 622766335 /nfs/dbraw/zinc/76/63/35/622766335.db2.gz RIRZNQDIXHALLT-BLLLJJGKSA-N 1 0 318.348 3.427 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CCO)C(C)C ZINC000872037525 622766694 /nfs/dbraw/zinc/76/66/94/622766694.db2.gz CVBJIOQNSPZMLN-SMDDNHRTSA-N 1 0 312.435 3.374 20 5 DGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(O)ccc1F ZINC000872039115 622768454 /nfs/dbraw/zinc/76/84/54/622768454.db2.gz QNNVGYASFVMKIW-NSHDSACASA-N 1 0 304.321 3.333 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043378 622770483 /nfs/dbraw/zinc/77/04/83/622770483.db2.gz XKVBDCHHILZCKT-NXEZZACHSA-N 1 0 316.423 3.233 20 5 DGBDRO C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048552 622774901 /nfs/dbraw/zinc/77/49/01/622774901.db2.gz JMFNIVAPFFUFOS-BXUZGUMPSA-N 1 0 310.369 3.326 20 5 DGBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000872050806 622776641 /nfs/dbraw/zinc/77/66/41/622776641.db2.gz FTPIERUVXMKRON-GDBMZVCRSA-N 1 0 306.406 3.321 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000872062799 622783853 /nfs/dbraw/zinc/78/38/53/622783853.db2.gz QEFAKSKTKMQOTH-NEPJUHHUSA-N 1 0 310.419 3.394 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000872064960 622785635 /nfs/dbraw/zinc/78/56/35/622785635.db2.gz PWPIDMBEAONIAN-BPNCWPANSA-N 1 0 310.419 3.271 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](C)CCO ZINC000872073978 622790212 /nfs/dbraw/zinc/79/02/12/622790212.db2.gz AFOYWQBTDBELOD-NEPJUHHUSA-N 1 0 312.435 3.376 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000872078786 622793983 /nfs/dbraw/zinc/79/39/83/622793983.db2.gz JSHBSCXNZSLXOW-ZLKJLUDKSA-N 1 0 308.353 3.342 20 5 DGBDRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872084077 622795639 /nfs/dbraw/zinc/79/56/39/622795639.db2.gz PAPAYHOVVOIMRZ-NEPJUHHUSA-N 1 0 303.337 3.411 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000872084742 622796387 /nfs/dbraw/zinc/79/63/87/622796387.db2.gz KMSOGZDAALLMFM-QMTHXVAHSA-N 1 0 310.419 3.128 20 5 DGBDRO C[C@@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086234 622797587 /nfs/dbraw/zinc/79/75/87/622797587.db2.gz VPOXABAVMYBKTH-NEPJUHHUSA-N 1 0 309.385 3.257 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872107649 622810141 /nfs/dbraw/zinc/81/01/41/622810141.db2.gz OAAONKBXJWSUHR-HJXMPXNTSA-N 1 0 302.374 3.129 20 5 DGBDRO CCc1noc(C)c1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000772978478 622960375 /nfs/dbraw/zinc/96/03/75/622960375.db2.gz NJVHRQDWLOHJIV-LLVKDONJSA-N 1 0 319.361 3.183 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccc(F)n1)C1CC1 ZINC000773089583 622981718 /nfs/dbraw/zinc/98/17/18/622981718.db2.gz RXIVDLPMKUJDLO-HNNXBMFYSA-N 1 0 315.348 3.240 20 5 DGBDRO Cc1c(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000873106093 623037161 /nfs/dbraw/zinc/03/71/61/623037161.db2.gz HWXSKZLVNSAWSW-IAGOWNOFSA-N 1 0 304.390 3.198 20 5 DGBDRO CCOC(CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OCC ZINC000873113134 623037613 /nfs/dbraw/zinc/03/76/13/623037613.db2.gz RAKJVLMUNJCYND-UHFFFAOYSA-N 1 0 310.394 3.090 20 5 DGBDRO Cc1c(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000873132879 623043624 /nfs/dbraw/zinc/04/36/24/623043624.db2.gz JKMRNSNCBNOPEL-DLBZAZTESA-N 1 0 304.390 3.341 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873155420 623053902 /nfs/dbraw/zinc/05/39/02/623053902.db2.gz FMRRNPPURNMJJQ-WXBKCOBNSA-N 1 0 302.374 3.155 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873157235 623055326 /nfs/dbraw/zinc/05/53/26/623055326.db2.gz URFUJDQLVBSEIA-RIEGTJTDSA-N 1 0 310.781 3.295 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000873192713 623068788 /nfs/dbraw/zinc/06/87/88/623068788.db2.gz GBQXBVCXDAXVKX-SJORKVTESA-N 1 0 300.358 3.197 20 5 DGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000873192710 623068883 /nfs/dbraw/zinc/06/88/83/623068883.db2.gz GBQXBVCXDAXVKX-DLBZAZTESA-N 1 0 300.358 3.197 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000873193999 623069714 /nfs/dbraw/zinc/06/97/14/623069714.db2.gz PWWPBMBNCMGQTD-IRXDYDNUSA-N 1 0 300.358 3.197 20 5 DGBDRO Cc1c([C@H](C)[NH2+]Cc2cc(N)cc(F)c2)cccc1[N+](=O)[O-] ZINC000873287373 623103646 /nfs/dbraw/zinc/10/36/46/623103646.db2.gz DFIQVVLWRMNZQV-NSHDSACASA-N 1 0 303.337 3.475 20 5 DGBDRO O=[N+]([O-])c1c(F)nccc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000882065366 625623330 /nfs/dbraw/zinc/62/33/30/625623330.db2.gz CTRVJIBQCAFBAM-UHFFFAOYSA-N 1 0 322.384 3.338 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC000774523737 623155959 /nfs/dbraw/zinc/15/59/59/623155959.db2.gz JULNMVUNIHFKFO-UHFFFAOYSA-N 1 0 303.406 3.297 20 5 DGBDRO C[C@H]1C[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C[C@@H]1C ZINC000774636134 623168856 /nfs/dbraw/zinc/16/88/56/623168856.db2.gz MFMRBULTPPLARL-UWVGGRQHSA-N 1 0 308.769 3.143 20 5 DGBDRO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@H](C4CC4)C3)c2c(Cl)c1 ZINC000774641136 623169560 /nfs/dbraw/zinc/16/95/60/623169560.db2.gz XYPOBEABBJZBHP-NSHDSACASA-N 1 0 320.780 3.287 20 5 DGBDRO CC(C)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775098490 623230641 /nfs/dbraw/zinc/23/06/41/623230641.db2.gz WMEBRWZONPAKNJ-LBPRGKRZSA-N 1 0 307.350 3.371 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775400666 623268922 /nfs/dbraw/zinc/26/89/22/623268922.db2.gz RDCJSBWGDMDVGN-XBFCOCLRSA-N 1 0 310.444 3.064 20 5 DGBDRO CC[C@H](CSC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775417845 623272586 /nfs/dbraw/zinc/27/25/86/623272586.db2.gz BOWFXGZLUSRSJV-CYBMUJFWSA-N 1 0 323.462 3.295 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC000776311450 623410441 /nfs/dbraw/zinc/41/04/41/623410441.db2.gz ZBQBNUJFXYWEHO-BMIGLBTASA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590342 623444220 /nfs/dbraw/zinc/44/42/20/623444220.db2.gz ZVCQAIZGGADQNO-ACJLOTCBSA-N 1 0 312.369 3.075 20 5 DGBDRO C[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590345 623445024 /nfs/dbraw/zinc/44/50/24/623445024.db2.gz ZVCQAIZGGADQNO-UGSOOPFHSA-N 1 0 312.369 3.075 20 5 DGBDRO CC(C)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000776593996 623445079 /nfs/dbraw/zinc/44/50/79/623445079.db2.gz ZYEZPLWREFRHKM-MRXNPFEDSA-N 1 0 318.348 3.292 20 5 DGBDRO Cc1cccc(C(C)(C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776606700 623445966 /nfs/dbraw/zinc/44/59/66/623445966.db2.gz ZTWIVNHNZJCYTH-QGZVFWFLSA-N 1 0 314.385 3.462 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@@H](C4CC4)C3)c2)c1 ZINC000777957653 623591075 /nfs/dbraw/zinc/59/10/75/623591075.db2.gz IMTARHZLSLYBOF-OAHLLOKOSA-N 1 0 312.373 3.148 20 5 DGBDRO CC(C)[NH+]1CCC(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000876468460 623620579 /nfs/dbraw/zinc/62/05/79/623620579.db2.gz NCVQCDNQNHEPCF-CYBMUJFWSA-N 1 0 320.389 3.319 20 5 DGBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778429159 623656735 /nfs/dbraw/zinc/65/67/35/623656735.db2.gz VLSJGIOULVWWPD-IAQYHMDHSA-N 1 0 312.797 3.231 20 5 DGBDRO CSC(C)(C)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000876753744 623697612 /nfs/dbraw/zinc/69/76/12/623697612.db2.gz NSVPKHDOCPCRFF-GFCCVEGCSA-N 1 0 324.450 3.008 20 5 DGBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000779121940 623732605 /nfs/dbraw/zinc/73/26/05/623732605.db2.gz HDTUNWJEWRPWHA-UHFFFAOYSA-N 1 0 320.389 3.291 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[C@H]4CCCC[C@@H]4C3)C2)c1 ZINC000876903687 623740946 /nfs/dbraw/zinc/74/09/46/623740946.db2.gz OOGWHXKQCBYZGE-AUVVZJRPSA-N 1 0 318.421 3.443 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](c3ccccc3)C3CC3)C2)c1 ZINC000876906798 623741307 /nfs/dbraw/zinc/74/13/07/623741307.db2.gz IHKNLCVOBLPTQB-VMBOVVBDSA-N 1 0 312.373 3.236 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000876947402 623751792 /nfs/dbraw/zinc/75/17/92/623751792.db2.gz GEBMNFBVUCRAMO-GRTSSRMGSA-N 1 0 300.362 3.154 20 5 DGBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876988566 623760556 /nfs/dbraw/zinc/76/05/56/623760556.db2.gz GUIUXEBKWPTZOE-XUJLQICISA-N 1 0 300.362 3.236 20 5 DGBDRO CC(C)[C@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877021588 623768071 /nfs/dbraw/zinc/76/80/71/623768071.db2.gz VLWUSTGKJFEBIC-ZUJMUWTESA-N 1 0 306.410 3.299 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877039736 623773496 /nfs/dbraw/zinc/77/34/96/623773496.db2.gz OTQNZUNJXYLJCS-LMRVLLHPSA-N 1 0 306.410 3.301 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[C@H]4CCC[C@H]4C3)C2)c1 ZINC000877042730 623774597 /nfs/dbraw/zinc/77/45/97/623774597.db2.gz VRHVXOOQKRVAEN-OEGGNGQFSA-N 1 0 304.394 3.053 20 5 DGBDRO CCC(CC)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)SC ZINC000877073529 623784174 /nfs/dbraw/zinc/78/41/74/623784174.db2.gz MTORYQIOKHHLJR-UHFFFAOYSA-N 1 0 312.439 3.006 20 5 DGBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877082824 623786376 /nfs/dbraw/zinc/78/63/76/623786376.db2.gz CYSLCFVGQMVRKB-LPXQKFACSA-N 1 0 306.410 3.299 20 5 DGBDRO CC(C)C1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877106694 623792312 /nfs/dbraw/zinc/79/23/12/623792312.db2.gz VKDYIOGDJJDBLZ-UHFFFAOYSA-N 1 0 306.410 3.299 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(F)c1F ZINC000877117754 623794877 /nfs/dbraw/zinc/79/48/77/623794877.db2.gz TZXOSJBJPDFFFI-WHXUTIOJSA-N 1 0 322.315 3.124 20 5 DGBDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000877145437 623806118 /nfs/dbraw/zinc/80/61/18/623806118.db2.gz HLTSBFLTAFMGGM-LAJNKCICSA-N 1 0 314.322 3.407 20 5 DGBDRO CC[C@H]1CCCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877558331 623941520 /nfs/dbraw/zinc/94/15/20/623941520.db2.gz DCYAJHGXIHYUNB-ZUJMUWTESA-N 1 0 306.410 3.301 20 5 DGBDRO C[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000877565100 623944767 /nfs/dbraw/zinc/94/47/67/623944767.db2.gz SHFBNJWITYBKAV-GFCCVEGCSA-N 1 0 303.189 3.311 20 5 DGBDRO CO[C@@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1(C)C ZINC000877566493 623945308 /nfs/dbraw/zinc/94/53/08/623945308.db2.gz ZEKTWKXQWSNQQG-MRXNPFEDSA-N 1 0 306.406 3.459 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@H](C)CO)CC1 ZINC000877613174 623963214 /nfs/dbraw/zinc/96/32/14/623963214.db2.gz YTTYPVAEXAIBKB-CYBMUJFWSA-N 1 0 306.406 3.052 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@@H]3CCCS3)nc2c1 ZINC000877697851 623995487 /nfs/dbraw/zinc/99/54/87/623995487.db2.gz OGKZMYKCEYLGEF-NSHDSACASA-N 1 0 307.375 3.111 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877744540 624016643 /nfs/dbraw/zinc/01/66/43/624016643.db2.gz VGNXRXIQKBSHNH-NVXWUHKLSA-N 1 0 317.433 3.244 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[C@H]1SC ZINC000877827554 624057336 /nfs/dbraw/zinc/05/73/36/624057336.db2.gz AYXBPPZCSQGYLX-QMGNLALYSA-N 1 0 310.419 3.154 20 5 DGBDRO C[C@H]1CC[C@]2(CC[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000781585564 624097600 /nfs/dbraw/zinc/09/76/00/624097600.db2.gz NYZHZHZGGHFRDZ-GUYCJALGSA-N 1 0 314.389 3.414 20 5 DGBDRO CC(C)[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000877964629 624114384 /nfs/dbraw/zinc/11/43/84/624114384.db2.gz IXEONEVOKBGQPL-UHFFFAOYSA-N 1 0 302.334 3.018 20 5 DGBDRO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000877968179 624115348 /nfs/dbraw/zinc/11/53/48/624115348.db2.gz KBGJJNTVQDLQSI-UHFFFAOYSA-N 1 0 316.361 3.409 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878002306 624131800 /nfs/dbraw/zinc/13/18/00/624131800.db2.gz UOSOBXKYQAGFGC-LBPRGKRZSA-N 1 0 316.361 3.267 20 5 DGBDRO CCC(C)(C)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878246989 624225820 /nfs/dbraw/zinc/22/58/20/624225820.db2.gz WLZIAEOXDVKCRK-UHFFFAOYSA-N 1 0 304.350 3.265 20 5 DGBDRO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H]2CCCC[C@@H]12 ZINC000782274599 624231173 /nfs/dbraw/zinc/23/11/73/624231173.db2.gz BRZOBCSGZABAFS-PVUWLOKVSA-N 1 0 314.389 3.413 20 5 DGBDRO CC[C@@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000878362650 624256882 /nfs/dbraw/zinc/25/68/82/624256882.db2.gz YXYKYRKOZGVMAE-MRXNPFEDSA-N 1 0 302.378 3.015 20 5 DGBDRO CC(C)[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782510355 624258094 /nfs/dbraw/zinc/25/80/94/624258094.db2.gz GORWRYMESUADMI-GFCCVEGCSA-N 1 0 323.368 3.040 20 5 DGBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782653661 624270509 /nfs/dbraw/zinc/27/05/09/624270509.db2.gz KHAAKSFXLLQDBO-CHWSQXEVSA-N 1 0 320.311 3.195 20 5 DGBDRO CC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1CCC1 ZINC000878543002 624302634 /nfs/dbraw/zinc/30/26/34/624302634.db2.gz VKALSQMPAXTCST-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878565136 624309742 /nfs/dbraw/zinc/30/97/42/624309742.db2.gz FYEKHIXZDXFGKC-XIRDDKMYSA-N 1 0 304.390 3.027 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000878612600 624321832 /nfs/dbraw/zinc/32/18/32/624321832.db2.gz RNZHGJQPPCIHBA-CZUORRHYSA-N 1 0 314.389 3.183 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000783310276 624337473 /nfs/dbraw/zinc/33/74/73/624337473.db2.gz NGPBUIRRVOZADG-HZPDHXFCSA-N 1 0 302.374 3.198 20 5 DGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)N1CCCCC1 ZINC000783599015 624373363 /nfs/dbraw/zinc/37/33/63/624373363.db2.gz RUKLZZYWUOAFBC-GFCCVEGCSA-N 1 0 311.813 3.212 20 5 DGBDRO CC(C)[C@@H](C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000783775669 624395570 /nfs/dbraw/zinc/39/55/70/624395570.db2.gz HYJQDCZXNGLKIA-CJNGLKHVSA-N 1 0 320.389 3.319 20 5 DGBDRO C[C@@H](CO)[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000805752099 624396862 /nfs/dbraw/zinc/39/68/62/624396862.db2.gz XYOKYJKLIAJQQZ-NSHDSACASA-N 1 0 312.797 3.374 20 5 DGBDRO CC1([NH+]2CCCC2)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000879201552 624449704 /nfs/dbraw/zinc/44/97/04/624449704.db2.gz MEIOHTSGCGHXAU-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO CC1([NH+]2CCCC2)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000879202598 624450150 /nfs/dbraw/zinc/45/01/50/624450150.db2.gz KGCYQASUJQMRQZ-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784579612 624551873 /nfs/dbraw/zinc/55/18/73/624551873.db2.gz WQWRLAARNBPYSL-KBPBESRZSA-N 1 0 320.389 3.131 20 5 DGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000805769213 624588343 /nfs/dbraw/zinc/58/83/43/624588343.db2.gz TXCDQPUUDRQTMG-WFASDCNBSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(C)(C)O)CC1 ZINC000879627782 624612530 /nfs/dbraw/zinc/61/25/30/624612530.db2.gz RPICIBPMMOAIFP-CYBMUJFWSA-N 1 0 306.406 3.447 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879732240 624656364 /nfs/dbraw/zinc/65/63/64/624656364.db2.gz VVQYOQFAEVLTOQ-INIZCTEOSA-N 1 0 320.389 3.185 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879733438 624657428 /nfs/dbraw/zinc/65/74/28/624657428.db2.gz VXJDHCOWPYGABB-HNNXBMFYSA-N 1 0 308.353 3.315 20 5 DGBDRO COC(=O)CC[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880037287 624763197 /nfs/dbraw/zinc/76/31/97/624763197.db2.gz HZMOIKQPNJHEMM-UONOGXRCSA-N 1 0 320.389 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880316779 624914228 /nfs/dbraw/zinc/91/42/28/624914228.db2.gz LAPMGZDCTLBTAP-JTQLQIEISA-N 1 0 307.350 3.180 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000880323235 624918054 /nfs/dbraw/zinc/91/80/54/624918054.db2.gz PRVIZSBHRJBJBU-CYBMUJFWSA-N 1 0 303.387 3.349 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOc1cccnc1 ZINC000786817576 624956067 /nfs/dbraw/zinc/95/60/67/624956067.db2.gz ZVGUMJRRHNIQHJ-UVTDQMKNSA-N 1 0 313.357 3.062 20 5 DGBDRO CC1([NH+]2CCC2)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000880472993 624964387 /nfs/dbraw/zinc/96/43/87/624964387.db2.gz KWRGMLZYNKZFPA-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCC2(C)OCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000788599534 625223908 /nfs/dbraw/zinc/22/39/08/625223908.db2.gz DCBCLADNIGXINP-HNNXBMFYSA-N 1 0 320.389 3.060 20 5 DGBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788606633 625226689 /nfs/dbraw/zinc/22/66/89/625226689.db2.gz KABUKTBENKLCFQ-IUCAKERBSA-N 1 0 304.350 3.194 20 5 DGBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788606630 625227265 /nfs/dbraw/zinc/22/72/65/625227265.db2.gz KABUKTBENKLCFQ-BDAKNGLRSA-N 1 0 304.350 3.194 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000788799068 625270552 /nfs/dbraw/zinc/27/05/52/625270552.db2.gz QVSYRMJXJNJYDE-ZDUSSCGKSA-N 1 0 317.776 3.463 20 5 DGBDRO CC[N@H+](CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000791439539 625802994 /nfs/dbraw/zinc/80/29/94/625802994.db2.gz LZXIBJUPFUMBQK-UHFFFAOYSA-N 1 0 319.405 3.315 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)c1ccccc1F ZINC000130360707 625840845 /nfs/dbraw/zinc/84/08/45/625840845.db2.gz SHQMRUAFHNLKKF-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCC23OCCO3)cc1[N+](=O)[O-] ZINC000883179651 625956554 /nfs/dbraw/zinc/95/65/54/625956554.db2.gz FBRWYIGVEIZMLT-MRXNPFEDSA-N 1 0 320.389 3.103 20 5 DGBDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000796450063 626051428 /nfs/dbraw/zinc/05/14/28/626051428.db2.gz JTYHGTKNTBOJTA-KRWDZBQOSA-N 1 0 318.348 3.120 20 5 DGBDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000796492884 626056024 /nfs/dbraw/zinc/05/60/24/626056024.db2.gz YXGWGXGFSFDEOR-KBXCAEBGSA-N 1 0 314.385 3.423 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799196811 626280977 /nfs/dbraw/zinc/28/09/77/626280977.db2.gz XMKVHXBWVTUHQJ-LBPRGKRZSA-N 1 0 301.321 3.118 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801517178 626406775 /nfs/dbraw/zinc/40/67/75/626406775.db2.gz AMIUDCFUOILNHD-HUUCEWRRSA-N 1 0 310.369 3.369 20 5 DGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801519396 626407427 /nfs/dbraw/zinc/40/74/27/626407427.db2.gz NDTYGDYVWNHLSV-OCCSQVGLSA-N 1 0 309.385 3.039 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccns1 ZINC000883248076 626623115 /nfs/dbraw/zinc/62/31/15/626623115.db2.gz GQASTRLKSOZYTA-LBPRGKRZSA-N 1 0 305.403 3.205 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000883271766 626630828 /nfs/dbraw/zinc/63/08/28/626630828.db2.gz VVERCBCODVQDBQ-NXNVCVFFSA-N 1 0 318.417 3.321 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000883319802 626645879 /nfs/dbraw/zinc/64/58/79/626645879.db2.gz PXAPYXOLLNSITN-BFQNTYOBSA-N 1 0 304.390 3.332 20 5 DGBDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000883356480 626658860 /nfs/dbraw/zinc/65/88/60/626658860.db2.gz PEZZDCFYDGONAB-WCQYABFASA-N 1 0 309.435 3.062 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883367350 626663952 /nfs/dbraw/zinc/66/39/52/626663952.db2.gz NHCQKYPYTYXZPU-VUCTXSBTSA-N 1 0 320.389 3.356 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@H+]1CCCC[C@H]1C ZINC000804330109 626670126 /nfs/dbraw/zinc/67/01/26/626670126.db2.gz LIMQESHKMFFBCP-CYBMUJFWSA-N 1 0 319.405 3.474 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804372052 626674152 /nfs/dbraw/zinc/67/41/52/626674152.db2.gz HYVPBHPMUMNDOQ-VXGBXAGGSA-N 1 0 322.365 3.035 20 5 DGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804529546 626689919 /nfs/dbraw/zinc/68/99/19/626689919.db2.gz CGYLSJSAUDISRG-ZDUSSCGKSA-N 1 0 323.824 3.416 20 5 DGBDRO Nc1ccc(NC2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000804538924 626691550 /nfs/dbraw/zinc/69/15/50/626691550.db2.gz WWWJRIFLGONCCR-UHFFFAOYSA-N 1 0 318.421 3.386 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CCN(c2ccccn2)C1 ZINC000804571566 626693828 /nfs/dbraw/zinc/69/38/28/626693828.db2.gz MHRFCXYVYJAGAQ-GFCCVEGCSA-N 1 0 318.764 3.334 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806140818 626701744 /nfs/dbraw/zinc/70/17/44/626701744.db2.gz BZDRIZJBWKTGJC-CYBMUJFWSA-N 1 0 317.776 3.463 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCCC[NH+]1CCCC1 ZINC000800194094 626822857 /nfs/dbraw/zinc/82/28/57/626822857.db2.gz VCPTWTJSGOEWOZ-UHFFFAOYSA-N 1 0 320.389 3.163 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+](CC2CC2)CC1 ZINC000809349334 626905113 /nfs/dbraw/zinc/90/51/13/626905113.db2.gz VLZNNTJTCOWPSN-UHFFFAOYSA-N 1 0 311.332 3.064 20 5 DGBDRO Cc1[nH]c(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1C ZINC000884708532 626932320 /nfs/dbraw/zinc/93/23/20/626932320.db2.gz CKLGSLFYVRFXMH-UHFFFAOYSA-N 1 0 300.362 3.319 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000884718097 626934840 /nfs/dbraw/zinc/93/48/40/626934840.db2.gz USLXUAACQYURBL-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO CC1(C)CCC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000809733025 626943024 /nfs/dbraw/zinc/94/30/24/626943024.db2.gz OXBMKHHGMKYVNU-BBRMVZONSA-N 1 0 306.406 3.434 20 5 DGBDRO [NH3+]CCN(Cc1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000809734916 626943515 /nfs/dbraw/zinc/94/35/15/626943515.db2.gz OEWGORCXZVXSSE-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H](O)c1ccccc1 ZINC000809746930 626945918 /nfs/dbraw/zinc/94/59/18/626945918.db2.gz DHIPTKHTVOJTCW-TWVNLXSWSA-N 1 0 312.369 3.321 20 5 DGBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766464 626949451 /nfs/dbraw/zinc/94/94/51/626949451.db2.gz XYFIINSNHRDQRN-SMDDNHRTSA-N 1 0 311.813 3.020 20 5 DGBDRO CCOCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809789468 626953907 /nfs/dbraw/zinc/95/39/07/626953907.db2.gz HKBQIGHBVBEPED-UHFFFAOYSA-N 1 0 300.786 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000840190290 626967593 /nfs/dbraw/zinc/96/75/93/626967593.db2.gz VIARKBLDZJBPJF-CYBMUJFWSA-N 1 0 300.362 3.024 20 5 DGBDRO CC[C@@H](C)[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017727 626968981 /nfs/dbraw/zinc/96/89/81/626968981.db2.gz HWARKYVHEXXLDG-SECBINFHSA-N 1 0 321.204 3.494 20 5 DGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1C[C@@]12CCOC2 ZINC000886046857 627093066 /nfs/dbraw/zinc/09/30/66/627093066.db2.gz RAEBBOHEVJPEPE-IUODEOHRSA-N 1 0 310.781 3.107 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(CC)CC ZINC000886140932 627111610 /nfs/dbraw/zinc/11/16/10/627111610.db2.gz SQVAEQWXVHPHBP-KBPBESRZSA-N 1 0 307.394 3.063 20 5 DGBDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886243005 627126576 /nfs/dbraw/zinc/12/65/76/627126576.db2.gz LRWYAKGOFBPPAM-LBPRGKRZSA-N 1 0 303.337 3.192 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000886320054 627136527 /nfs/dbraw/zinc/13/65/27/627136527.db2.gz ZEBCAHMUBPXPEV-HNNXBMFYSA-N 1 0 319.405 3.019 20 5 DGBDRO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000886431859 627148520 /nfs/dbraw/zinc/14/85/20/627148520.db2.gz ITOSKJKWCDHJFU-QGZVFWFLSA-N 1 0 300.358 3.069 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886702919 627194782 /nfs/dbraw/zinc/19/47/82/627194782.db2.gz HKJIWWKCEYMEFI-IUODEOHRSA-N 1 0 322.380 3.214 20 5 DGBDRO C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000886717700 627197106 /nfs/dbraw/zinc/19/71/06/627197106.db2.gz GQCZRJASMMUPSF-DGCLKSJQSA-N 1 0 307.394 3.033 20 5 DGBDRO CC[C@H]([NH2+][C@H](COC)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000886786638 627204284 /nfs/dbraw/zinc/20/42/84/627204284.db2.gz HDDHWRISLYAOCI-BHYGNILZSA-N 1 0 322.405 3.077 20 5 DGBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811479242 627278768 /nfs/dbraw/zinc/27/87/68/627278768.db2.gz BYEXVCUCRMKHEY-ZDUSSCGKSA-N 1 0 321.204 3.398 20 5 DGBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811489019 627280389 /nfs/dbraw/zinc/28/03/89/627280389.db2.gz UBOPNBWPMZJJNR-HTQZYQBOSA-N 1 0 307.177 3.151 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000811866558 627331826 /nfs/dbraw/zinc/33/18/26/627331826.db2.gz GKELHIGLLJTJPV-LLVKDONJSA-N 1 0 313.373 3.275 20 5 DGBDRO Cc1cc(-c2noc([C@@H]3CCC[N@H+]3C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000924092770 627601084 /nfs/dbraw/zinc/60/10/84/627601084.db2.gz IAMCYCCAHMURRB-AWEZNQCLSA-N 1 0 316.361 3.499 20 5 DGBDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000815147940 627637514 /nfs/dbraw/zinc/63/75/14/627637514.db2.gz YXKUVIAWRYAYJS-HNNXBMFYSA-N 1 0 312.797 3.279 20 5 DGBDRO Cc1ccccc1OCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815568770 627685363 /nfs/dbraw/zinc/68/53/63/627685363.db2.gz TXUGBPMAYORHOB-CYBMUJFWSA-N 1 0 315.373 3.215 20 5 DGBDRO C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815624460 627692248 /nfs/dbraw/zinc/69/22/48/627692248.db2.gz ZAQAVXZRXCIBQJ-JHJVBQTASA-N 1 0 321.421 3.421 20 5 DGBDRO COCC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCCCC1 ZINC000815627860 627693020 /nfs/dbraw/zinc/69/30/20/627693020.db2.gz LTFCWFZGBASDPM-CYBMUJFWSA-N 1 0 321.421 3.425 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815648744 627695011 /nfs/dbraw/zinc/69/50/11/627695011.db2.gz VVZARSCFSQMRQV-DOMZBBRYSA-N 1 0 321.421 3.016 20 5 DGBDRO CC1(C)[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925579431 627758131 /nfs/dbraw/zinc/75/81/31/627758131.db2.gz DMABCMZVFPAAHT-VHDGCEQUSA-N 1 0 323.824 3.114 20 5 DGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1(Br)CC1 ZINC000925641316 627768454 /nfs/dbraw/zinc/76/84/54/627768454.db2.gz MQLCUJNCQDZOMS-SNVBAGLBSA-N 1 0 313.195 3.043 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)c2cccc3c2OCO3)cccc1[N+](=O)[O-] ZINC000926267871 627872464 /nfs/dbraw/zinc/87/24/64/627872464.db2.gz BDVDHHBQMPKTDS-LBPRGKRZSA-N 1 0 314.341 3.483 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CCO)CC2)ccc1Cl ZINC000817297522 627879882 /nfs/dbraw/zinc/87/98/82/627879882.db2.gz RWPFIZOSQWLFLN-GFCCVEGCSA-N 1 0 312.797 3.233 20 5 DGBDRO C[C@H](Cc1ccccn1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000926438596 627895429 /nfs/dbraw/zinc/89/54/29/627895429.db2.gz CKOZMTHDAXCXOM-CYBMUJFWSA-N 1 0 324.384 3.234 20 5 DGBDRO [NH3+][C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000817907770 627958821 /nfs/dbraw/zinc/95/88/21/627958821.db2.gz VPTQYYSXCHWYBN-CVEARBPZSA-N 1 0 317.776 3.483 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926951656 627988526 /nfs/dbraw/zinc/98/85/26/627988526.db2.gz UAGAYMNTWIVSKK-XXILOJSOSA-N 1 0 300.280 3.370 20 5 DGBDRO CCC[C@H]([NH2+]CC1CC2(C1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000927006936 627996101 /nfs/dbraw/zinc/99/61/01/627996101.db2.gz ZYAMISCLXSIQOP-INIZCTEOSA-N 1 0 320.389 3.179 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCCCO1 ZINC000927014647 627997299 /nfs/dbraw/zinc/99/72/99/627997299.db2.gz PJQACJJXQNQYME-BLLLJJGKSA-N 1 0 308.378 3.213 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000927065071 628006463 /nfs/dbraw/zinc/00/64/63/628006463.db2.gz DQGBMVGXURIDCA-QANKJYHBSA-N 1 0 316.401 3.377 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000927065070 628006563 /nfs/dbraw/zinc/00/65/63/628006563.db2.gz DQGBMVGXURIDCA-OWQGQXMQSA-N 1 0 316.401 3.377 20 5 DGBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000927068493 628007181 /nfs/dbraw/zinc/00/71/81/628007181.db2.gz RYINRQLKRFEWKJ-BLLLJJGKSA-N 1 0 302.378 3.376 20 5 DGBDRO CCOCCOCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000927086220 628011231 /nfs/dbraw/zinc/01/12/31/628011231.db2.gz LMCYVKYEBYXZLU-QGZVFWFLSA-N 1 0 322.405 3.005 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927120062 628020658 /nfs/dbraw/zinc/02/06/58/628020658.db2.gz QOZJUHTWPCDMLJ-XNJGSVPQSA-N 1 0 317.389 3.092 20 5 DGBDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000927141306 628025386 /nfs/dbraw/zinc/02/53/86/628025386.db2.gz HRNNUGYFMLSUEB-RZAIGCCYSA-N 1 0 312.369 3.294 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927158764 628028659 /nfs/dbraw/zinc/02/86/59/628028659.db2.gz JISVPIYLPJHUPF-BLLLJJGKSA-N 1 0 322.380 3.356 20 5 DGBDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819052802 628083896 /nfs/dbraw/zinc/08/38/96/628083896.db2.gz JWIZYQJWWCGKMJ-NXOUGTEYSA-N 1 0 312.369 3.151 20 5 DGBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000819069732 628086335 /nfs/dbraw/zinc/08/63/35/628086335.db2.gz WZUIKNXFAJCCGT-CQSZACIVSA-N 1 0 320.414 3.257 20 5 DGBDRO Cc1cccc([C@@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819097823 628092058 /nfs/dbraw/zinc/09/20/58/628092058.db2.gz OOWLHMYECGKBFN-KSSFIOAISA-N 1 0 314.385 3.330 20 5 DGBDRO CC(C)C1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819167715 628104667 /nfs/dbraw/zinc/10/46/67/628104667.db2.gz HFXOSXIDJRZMJZ-PGEKIEPBSA-N 1 0 306.406 3.433 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000819310033 628131218 /nfs/dbraw/zinc/13/12/18/628131218.db2.gz SMUBTTLVNDLCFP-MRXNPFEDSA-N 1 0 304.390 3.187 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(C3CCC3)CCC2)c1 ZINC000819361654 628141102 /nfs/dbraw/zinc/14/11/02/628141102.db2.gz KHGBEYLSEFVAOI-MRXNPFEDSA-N 1 0 304.390 3.188 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)s1 ZINC000823070076 628523234 /nfs/dbraw/zinc/52/32/34/628523234.db2.gz YJRLMBBGHOFUCX-UTLUCORTSA-N 1 0 320.374 3.300 20 5 DGBDRO OCC1(CO)CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000827480290 628963011 /nfs/dbraw/zinc/96/30/11/628963011.db2.gz AJNWMZMIFWTKPO-UHFFFAOYSA-N 1 0 321.420 3.170 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000829572677 629170748 /nfs/dbraw/zinc/17/07/48/629170748.db2.gz SNVPVNWNKFBTLV-GFCCVEGCSA-N 1 0 320.418 3.123 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000830989211 629327123 /nfs/dbraw/zinc/32/71/23/629327123.db2.gz UMGFSXXFTAHBFP-SJORKVTESA-N 1 0 304.390 3.283 20 5 DGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000831352992 629366721 /nfs/dbraw/zinc/36/67/21/629366721.db2.gz IPUAYTFDZRARFJ-HUUCEWRRSA-N 1 0 310.369 3.416 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)cc1F ZINC000832510924 629491518 /nfs/dbraw/zinc/49/15/18/629491518.db2.gz IUABOVATESUXLA-HNNXBMFYSA-N 1 0 310.394 3.453 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000834387277 629703195 /nfs/dbraw/zinc/70/31/95/629703195.db2.gz FEBWZOCZSIQSKE-ULQDDVLXSA-N 1 0 306.406 3.241 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000102886024 630302708 /nfs/dbraw/zinc/30/27/08/630302708.db2.gz WETJWZLMJPIBPX-HNNXBMFYSA-N 1 0 300.362 3.167 20 5 DGBDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000840860419 630368618 /nfs/dbraw/zinc/36/86/18/630368618.db2.gz UZXCOKJTJOCIKO-MMPTUQATSA-N 1 0 307.394 3.031 20 5 DGBDRO COCC1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000840877203 630370178 /nfs/dbraw/zinc/37/01/78/630370178.db2.gz YUWKDNANIYICRW-LKSINWNRSA-N 1 0 307.394 3.033 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]C[C@@H]1CNCCO1 ZINC000841099495 630407848 /nfs/dbraw/zinc/40/78/48/630407848.db2.gz SKBKAOHETYYYEU-KRWDZBQOSA-N 1 0 306.409 3.071 20 5 DGBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000842172102 630501668 /nfs/dbraw/zinc/50/16/68/630501668.db2.gz VYYTXHQIUWSPMR-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO C[NH2+]C[C@@H](C)c1noc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000842576439 630549132 /nfs/dbraw/zinc/54/91/32/630549132.db2.gz HXIPFWINZAROQN-NXEZZACHSA-N 1 0 322.390 3.154 20 5 DGBDRO C[NH2+]C[C@H](C)c1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000842576893 630549196 /nfs/dbraw/zinc/54/91/96/630549196.db2.gz LFEAACNTTWFNON-JTQLQIEISA-N 1 0 318.377 3.265 20 5 DGBDRO CC[N@H+](CCSC)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000842645341 630557770 /nfs/dbraw/zinc/55/77/70/630557770.db2.gz XGYGHUQOFBJDHQ-UHFFFAOYSA-N 1 0 320.418 3.101 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000843044802 630607598 /nfs/dbraw/zinc/60/75/98/630607598.db2.gz JXTWHELBZXRLBU-BLLLJJGKSA-N 1 0 323.824 3.212 20 5 DGBDRO CC(C)[C@H]1[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000843296494 630643375 /nfs/dbraw/zinc/64/33/75/630643375.db2.gz MGXXSBCSROUPDI-DLBZAZTESA-N 1 0 316.401 3.305 20 5 DGBDRO COc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000844437235 630729240 /nfs/dbraw/zinc/72/92/40/630729240.db2.gz JCJRZGXPGSUZLL-AWEZNQCLSA-N 1 0 312.316 3.225 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC000844909648 630975311 /nfs/dbraw/zinc/97/53/11/630975311.db2.gz OGDNQQXDFMVWNG-UONOGXRCSA-N 1 0 314.345 3.156 20 5 DGBDRO Cc1ccc(-c2noc([C@H]3CC[C@@H](C4CC4)[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000844912582 630978562 /nfs/dbraw/zinc/97/85/62/630978562.db2.gz OGPVNJTXZHTCGA-QWHCGFSZSA-N 1 0 314.345 3.156 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000105909022 631175007 /nfs/dbraw/zinc/17/50/07/631175007.db2.gz DKPZCABDXGERGP-LBPRGKRZSA-N 1 0 312.778 3.133 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000845480521 631177976 /nfs/dbraw/zinc/17/79/76/631177976.db2.gz FVQWOSSQYROVQY-SNVBAGLBSA-N 1 0 313.760 3.062 20 5 DGBDRO CC(C)C[N@H+](C)CCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000845996373 631205021 /nfs/dbraw/zinc/20/50/21/631205021.db2.gz NWWIDEXWBHGICE-UHFFFAOYSA-N 1 0 313.829 3.316 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc2nonc2c1)c1cccc([N+](=O)[O-])c1 ZINC000846848036 631327133 /nfs/dbraw/zinc/32/71/33/631327133.db2.gz PJQHEYGRIOQZJF-CQSZACIVSA-N 1 0 312.329 3.372 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1F ZINC000846907458 631348724 /nfs/dbraw/zinc/34/87/24/631348724.db2.gz HJSUZJYZAHBYHQ-CQSZACIVSA-N 1 0 301.321 3.118 20 5 DGBDRO Cc1ccnc([C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)c1 ZINC000846970896 631369796 /nfs/dbraw/zinc/36/97/96/631369796.db2.gz BMXMYHUYJYCWGO-CYBMUJFWSA-N 1 0 315.348 3.427 20 5 DGBDRO CC(C)c1ccc(C(=O)OCC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000847822053 631547997 /nfs/dbraw/zinc/54/79/97/631547997.db2.gz SQLRLZMPTHDEFM-ZDUSSCGKSA-N 1 0 320.389 3.217 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000848481695 631668992 /nfs/dbraw/zinc/66/89/92/631668992.db2.gz BQLMMKCZOSYXIQ-CQSZACIVSA-N 1 0 312.373 3.148 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(Cl)nc1 ZINC000848520458 631674301 /nfs/dbraw/zinc/67/43/01/631674301.db2.gz JHWVYAAHTBKHKE-CYBMUJFWSA-N 1 0 303.749 3.420 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCSC(F)(F)F ZINC000848520140 631674635 /nfs/dbraw/zinc/67/46/35/631674635.db2.gz GXQMLCOVSZPFAY-JTQLQIEISA-N 1 0 306.309 3.425 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1COc2ccccc2C1 ZINC000848526525 631677868 /nfs/dbraw/zinc/67/78/68/631677868.db2.gz AMQLGTAXZWZQKY-SUMWQHHRSA-N 1 0 324.380 3.423 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000848550411 631689696 /nfs/dbraw/zinc/68/96/96/631689696.db2.gz MFKWPCCRGZSDPH-ULFGMLNVSA-N 1 0 312.369 3.294 20 5 DGBDRO Cc1ccc(NC(=[NH2+])NCCc2ccccc2[N+](=O)[O-])cc1C ZINC000849088721 631832758 /nfs/dbraw/zinc/83/27/58/631832758.db2.gz VLMJDDMQVLXSGU-UHFFFAOYSA-N 1 0 312.373 3.391 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000850341757 632118243 /nfs/dbraw/zinc/11/82/43/632118243.db2.gz AGMNCENWSWZSEF-ZDUSSCGKSA-N 1 0 311.813 3.211 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850482326 632166145 /nfs/dbraw/zinc/16/61/45/632166145.db2.gz NWFXASBOMQQPKW-NWDGAFQWSA-N 1 0 300.362 3.026 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000850525797 632180818 /nfs/dbraw/zinc/18/08/18/632180818.db2.gz QTKBXGIZLZPTCO-TZMCWYRMSA-N 1 0 320.389 3.356 20 5 DGBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC000850563094 632195448 /nfs/dbraw/zinc/19/54/48/632195448.db2.gz RUSYWOOSZYXPQF-BDJLRTHQSA-N 1 0 307.394 3.033 20 5 DGBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852108813 632556571 /nfs/dbraw/zinc/55/65/71/632556571.db2.gz NGEXYPACTIZBHW-MRXNPFEDSA-N 1 0 323.824 3.166 20 5 DGBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852425292 632602624 /nfs/dbraw/zinc/60/26/24/632602624.db2.gz JEQNUEKDWTYHBE-SMDDNHRTSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CCO ZINC000852458143 632606057 /nfs/dbraw/zinc/60/60/57/632606057.db2.gz BMYDAVKIWORVBH-BXUZGUMPSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCCC[C@@H]2CCO)c1 ZINC000792924486 660994090 /nfs/dbraw/zinc/99/40/90/660994090.db2.gz ILLDXGFIYSTGTP-CYBMUJFWSA-N 1 0 312.797 3.375 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000792945015 660996181 /nfs/dbraw/zinc/99/61/81/660996181.db2.gz ZZXZTRMCFVZAEE-OAHLLOKOSA-N 1 0 310.781 3.251 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1F ZINC000793289834 661021720 /nfs/dbraw/zinc/02/17/20/661021720.db2.gz PHNIEJMCDYCIHG-GFCCVEGCSA-N 1 0 303.337 3.240 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1F ZINC000793289835 661021788 /nfs/dbraw/zinc/02/17/88/661021788.db2.gz PHNIEJMCDYCIHG-LBPRGKRZSA-N 1 0 303.337 3.240 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000793539052 661043488 /nfs/dbraw/zinc/04/34/88/661043488.db2.gz GVBBCRKOJXYWRD-QWHCGFSZSA-N 1 0 302.378 3.357 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000793537879 661043513 /nfs/dbraw/zinc/04/35/13/661043513.db2.gz CAVOZFDUDIHXNQ-CQSZACIVSA-N 1 0 316.405 3.310 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC(C3CC3)CC2)c1 ZINC000793631610 661050962 /nfs/dbraw/zinc/05/09/62/661050962.db2.gz PZLOJGXOTYEELN-UHFFFAOYSA-N 1 0 300.362 3.024 20 5 DGBDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC000160338460 655610205 /nfs/dbraw/zinc/61/02/05/655610205.db2.gz RHCYDRLFILAYCO-LJQANCHMSA-N 1 0 304.393 3.443 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC4(CCC4)CC3)c2c1 ZINC000795712856 661169604 /nfs/dbraw/zinc/16/96/04/661169604.db2.gz AOTARRYIDMAZOD-UHFFFAOYSA-N 1 0 300.362 3.168 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCOC12CCCCC2 ZINC000933878427 655737316 /nfs/dbraw/zinc/73/73/16/655737316.db2.gz KEENCTUDDRWULT-INIZCTEOSA-N 1 0 320.389 3.055 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933916106 655738285 /nfs/dbraw/zinc/73/82/85/655738285.db2.gz OMNLQOFBGSVORH-HNNXBMFYSA-N 1 0 310.394 3.451 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000934011816 655742183 /nfs/dbraw/zinc/74/21/83/655742183.db2.gz OBUOMCLZOQVWQS-AWEZNQCLSA-N 1 0 312.797 3.279 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934688700 655795608 /nfs/dbraw/zinc/79/56/08/655795608.db2.gz WZXDISGZZSDHNF-INIZCTEOSA-N 1 0 301.321 3.370 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c(F)c1 ZINC000509444545 661187881 /nfs/dbraw/zinc/18/78/81/661187881.db2.gz RJKQWDQCXSVQNN-CQSZACIVSA-N 1 0 316.332 3.217 20 5 DGBDRO CCCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000023991694 656051802 /nfs/dbraw/zinc/05/18/02/656051802.db2.gz CGEKOTGQOVKLDB-SNVBAGLBSA-N 1 0 313.785 3.307 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000178569474 656927162 /nfs/dbraw/zinc/92/71/62/656927162.db2.gz TXJGDMICLVZHJM-ROUUACIJSA-N 1 0 312.369 3.369 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000057127602 659004526 /nfs/dbraw/zinc/00/45/26/659004526.db2.gz YSFKOTPBTHMSNV-AWEZNQCLSA-N 1 0 315.348 3.420 20 5 DGBDRO C[C@H](O)C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000170691664 659226123 /nfs/dbraw/zinc/22/61/23/659226123.db2.gz JGVNIRPLIQMDOJ-LBPRGKRZSA-N 1 0 310.369 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000170784831 659238309 /nfs/dbraw/zinc/23/83/09/659238309.db2.gz TXXXHYYRFZOISZ-MRXNPFEDSA-N 1 0 321.396 3.184 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173307789 659379913 /nfs/dbraw/zinc/37/99/13/659379913.db2.gz UTRNGLHQLFZGGL-MGPLVRAMSA-N 1 0 322.311 3.257 20 5 DGBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(C)cc1 ZINC000174726221 659541866 /nfs/dbraw/zinc/54/18/66/659541866.db2.gz GVSICBALQXOIFR-GOSISDBHSA-N 1 0 314.385 3.459 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000174942676 659913926 /nfs/dbraw/zinc/91/39/26/659913926.db2.gz SZFBNBXIIZHYHU-CYBMUJFWSA-N 1 0 317.393 3.179 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCc3ccns3)C2)cc1 ZINC000930641738 661417960 /nfs/dbraw/zinc/41/79/60/661417960.db2.gz YMMLNNRAVVPPBV-CQSZACIVSA-N 1 0 317.414 3.473 20 5 DGBDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000932177579 661544624 /nfs/dbraw/zinc/54/46/24/661544624.db2.gz CHAZMJIYPVTCLK-SNVBAGLBSA-N 1 0 320.370 3.294 20 5 DGBDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932277529 661556173 /nfs/dbraw/zinc/55/61/73/661556173.db2.gz VODDGSRULFSVRH-YOEHRIQHSA-N 1 0 314.389 3.059 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)cc1 ZINC000933083811 661616987 /nfs/dbraw/zinc/61/69/87/661616987.db2.gz YZRYUDWWJKIROM-INIZCTEOSA-N 1 0 304.390 3.233 20 5 DGBDRO CCOc1cc(C[NH2+]C2([C@@H]3CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC000933374459 661631465 /nfs/dbraw/zinc/63/14/65/661631465.db2.gz BNVFQARJSABJMT-INIZCTEOSA-N 1 0 320.389 3.185 20 5 DGBDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000934112061 661681000 /nfs/dbraw/zinc/68/10/00/661681000.db2.gz QKZSVJBBYULFOP-OLZOCXBDSA-N 1 0 318.295 3.223 20 5 DGBDRO CCC[C@](C)([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000934180777 661684973 /nfs/dbraw/zinc/68/49/73/661684973.db2.gz VSDLBPFKGSXAAW-INIZCTEOSA-N 1 0 302.378 3.133 20 5 DGBDRO CCC[C@@](C)([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000934180778 661685044 /nfs/dbraw/zinc/68/50/44/661685044.db2.gz VSDLBPFKGSXAAW-MRXNPFEDSA-N 1 0 302.378 3.133 20 5 DGBDRO O=C(C[N@@H+]1CC[C@@H]2CCC[C@@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934339093 661699169 /nfs/dbraw/zinc/69/91/69/661699169.db2.gz CPDCISHVSKPJMV-GWCFXTLKSA-N 1 0 323.780 3.061 20 5 DGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000934620849 661719421 /nfs/dbraw/zinc/71/94/21/661719421.db2.gz IXQXJELSOKQXHU-BXUZGUMPSA-N 1 0 321.352 3.007 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2ccncc2)C2CC2)cc1 ZINC000934689008 661726051 /nfs/dbraw/zinc/72/60/51/661726051.db2.gz SQBDANKEGGYKIV-QGZVFWFLSA-N 1 0 313.357 3.110 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)cc1F ZINC000934698060 661727555 /nfs/dbraw/zinc/72/75/55/661727555.db2.gz LUCMZDPLJDVYDX-MRXNPFEDSA-N 1 0 301.321 3.370 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000934837654 661739201 /nfs/dbraw/zinc/73/92/01/661739201.db2.gz UZWDVOKYIMPCCW-HOTGVXAUSA-N 1 0 304.390 3.233 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934837866 661739650 /nfs/dbraw/zinc/73/96/50/661739650.db2.gz XGPYGSHOVRNEFM-KBPBESRZSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000934840104 661740335 /nfs/dbraw/zinc/74/03/35/661740335.db2.gz BDFLCVKNRKTUFP-CVEARBPZSA-N 1 0 304.390 3.233 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084439992 662201006 /nfs/dbraw/zinc/20/10/06/662201006.db2.gz WTQIOECLIJZFOC-GFCCVEGCSA-N 1 0 311.813 3.068 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000246361441 662255368 /nfs/dbraw/zinc/25/53/68/662255368.db2.gz XMFSMHUWUIJPEL-DLBZAZTESA-N 1 0 304.390 3.283 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000037860260 662259688 /nfs/dbraw/zinc/25/96/88/662259688.db2.gz UAHFFCIQQDZYAS-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO CC(C)C[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159415632 685098994 /nfs/dbraw/zinc/09/89/94/685098994.db2.gz AFRSGTMQFRBZBZ-UHFFFAOYSA-N 1 0 301.184 3.445 20 5 DGBDRO O=C(Nc1cccc2c1C[NH2+]C2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001580780032 1192040514 /nfs/dbraw/zinc/04/05/14/1192040514.db2.gz DUHPDFPGFATGRB-UHFFFAOYSA-N 1 0 317.732 3.104 20 5 DGBDRO O=[N+]([O-])c1c(NC[C@@H]2CCCCC[NH2+]2)ccc2ncccc21 ZINC001580874922 1192043487 /nfs/dbraw/zinc/04/34/87/1192043487.db2.gz PDSYDAOLNZDKRX-LBPRGKRZSA-N 1 0 300.362 3.087 20 5 DGBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001620816002 1192108677 /nfs/dbraw/zinc/10/86/77/1192108677.db2.gz OLZGVOGJOQQAAE-INIZCTEOSA-N 1 0 314.341 3.217 20 5 DGBDRO Cc1c(C[NH2+]CCCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001620983668 1192772646 /nfs/dbraw/zinc/77/26/46/1192772646.db2.gz PGYSHOARTMWXCU-UHFFFAOYSA-N 1 0 308.378 3.115 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CSCCS1 ZINC000229594394 1177069923 /nfs/dbraw/zinc/06/99/23/1177069923.db2.gz FDSYPSNQVPGDIX-LLVKDONJSA-N 1 0 318.851 3.186 20 5 DGBDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000226099178 1177580654 /nfs/dbraw/zinc/58/06/54/1177580654.db2.gz RWKXDLCOWSAMKM-GFCCVEGCSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001331972929 1178323358 /nfs/dbraw/zinc/32/33/58/1178323358.db2.gz OUSYFVKKWLMWPK-KNDHEWATSA-N 1 0 314.307 3.298 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001332280173 1178410679 /nfs/dbraw/zinc/41/06/79/1178410679.db2.gz ZXTAPDFZOBDCDC-CHWSQXEVSA-N 1 0 309.385 3.116 20 5 DGBDRO COC1CCC(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001335422009 1178908072 /nfs/dbraw/zinc/90/80/72/1178908072.db2.gz PNCKYWGIBHMCOD-UHFFFAOYSA-N 1 0 304.390 3.158 20 5 DGBDRO CC1(C)CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1[NH3+] ZINC001341713978 1179052490 /nfs/dbraw/zinc/05/24/90/1179052490.db2.gz WLQUXWINGMTTQZ-QGZVFWFLSA-N 1 0 319.408 3.197 20 5 DGBDRO C[C@@H](NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001341740185 1179055727 /nfs/dbraw/zinc/05/57/27/1179055727.db2.gz MSQVVBGGGNVJEH-WQVCFCJDSA-N 1 0 319.405 3.070 20 5 DGBDRO C[C@@H](CC[NH+]1CCCC1)OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001346706125 1179737174 /nfs/dbraw/zinc/73/71/74/1179737174.db2.gz GLKAKSAMVVMBFI-KBPBESRZSA-N 1 0 320.389 3.116 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2C[C@@H](C)CC[NH2+]2)n1 ZINC001349006750 1179865435 /nfs/dbraw/zinc/86/54/35/1179865435.db2.gz XXNHWZWSDYYDPL-ZANVPECISA-N 1 0 316.361 3.322 20 5 DGBDRO C[C@@H]1C[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC001351142209 1180178461 /nfs/dbraw/zinc/17/84/61/1180178461.db2.gz FZRZYQYOVIKASE-WDNDVIMCSA-N 1 0 304.390 3.157 20 5 DGBDRO CC[C@](O)(C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC001351177254 1180182316 /nfs/dbraw/zinc/18/23/16/1180182316.db2.gz OSOXOFVZKYNYLC-MFKMUULPSA-N 1 0 320.311 3.257 20 5 DGBDRO C[N@@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC001351315730 1180199349 /nfs/dbraw/zinc/19/93/49/1180199349.db2.gz QNSMIAFWFUILGI-GFCCVEGCSA-N 1 0 311.813 3.211 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001353235615 1180505340 /nfs/dbraw/zinc/50/53/40/1180505340.db2.gz VIPYPYZANJVZQQ-ZDUSSCGKSA-N 1 0 314.389 3.110 20 5 DGBDRO C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001354154835 1180732381 /nfs/dbraw/zinc/73/23/81/1180732381.db2.gz FJBFQXGCNYBJDA-CHWSQXEVSA-N 1 0 318.421 3.242 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001354434974 1180795692 /nfs/dbraw/zinc/79/56/92/1180795692.db2.gz KREOMMRYIMFFGP-SNVBAGLBSA-N 1 0 300.790 3.176 20 5 DGBDRO CC[C@H](O)CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001200723214 1180853735 /nfs/dbraw/zinc/85/37/35/1180853735.db2.gz DBDCILKVPZYGMY-HNNXBMFYSA-N 1 0 318.373 3.496 20 5 DGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1F ZINC001200801814 1180921387 /nfs/dbraw/zinc/92/13/87/1180921387.db2.gz BZDFFGXTLVCJNF-IRXDYDNUSA-N 1 0 318.348 3.336 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)cc1 ZINC001356533519 1181210113 /nfs/dbraw/zinc/21/01/13/1181210113.db2.gz FYFZHTGMEXDHHZ-OAHLLOKOSA-N 1 0 324.739 3.211 20 5 DGBDRO C[C@@H]1CCC[C@@](CNc2ncc([N+](=O)[O-])cc2F)([NH+](C)C)C1 ZINC001458120498 1182498233 /nfs/dbraw/zinc/49/82/33/1182498233.db2.gz LQZKJBPNFVHCBV-IAQYHMDHSA-N 1 0 310.373 3.051 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1NCc1nc2c([nH]1)CCCC2 ZINC001458638157 1182545820 /nfs/dbraw/zinc/54/58/20/1182545820.db2.gz HRHSRAXCJFBPCN-UHFFFAOYSA-N 1 0 323.356 3.357 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC001458707919 1182549651 /nfs/dbraw/zinc/54/96/51/1182549651.db2.gz VSFIULKDVYWPPU-GDBMZVCRSA-N 1 0 321.396 3.433 20 5 DGBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C ZINC001459987441 1182637739 /nfs/dbraw/zinc/63/77/39/1182637739.db2.gz PLKPVBSULIPFRH-NEPJUHHUSA-N 1 0 323.368 3.183 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(C)(C)CO1 ZINC001460008359 1182640097 /nfs/dbraw/zinc/64/00/97/1182640097.db2.gz URGUQEVEWNWVGR-INIZCTEOSA-N 1 0 306.406 3.274 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001460004926 1182640501 /nfs/dbraw/zinc/64/05/01/1182640501.db2.gz KXNYSTNBBMUXNE-DLBZAZTESA-N 1 0 304.390 3.027 20 5 DGBDRO CC1(C2CC2)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001460172366 1182658429 /nfs/dbraw/zinc/65/84/29/1182658429.db2.gz DVXVPNRXPIIMQQ-UHFFFAOYSA-N 1 0 304.390 3.486 20 5 DGBDRO C[C@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001460201247 1182662285 /nfs/dbraw/zinc/66/22/85/1182662285.db2.gz HHRVTKFOILPUET-AWEZNQCLSA-N 1 0 320.437 3.184 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC001460272544 1182669973 /nfs/dbraw/zinc/66/99/73/1182669973.db2.gz SVNGQGRZEVCMRG-HNNXBMFYSA-N 1 0 322.430 3.321 20 5 DGBDRO CCC1(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CCCC1 ZINC001461344546 1182797050 /nfs/dbraw/zinc/79/70/50/1182797050.db2.gz OOLDOXOOEYQLLQ-UHFFFAOYSA-N 1 0 308.378 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cccc3n[nH]cc32)c1 ZINC001461342913 1182797531 /nfs/dbraw/zinc/79/75/31/1182797531.db2.gz XDJNVDGXXQJBGY-UHFFFAOYSA-N 1 0 316.748 3.414 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cnc2ccccn12)c1ccccc1[N+](=O)[O-] ZINC001461789846 1182855019 /nfs/dbraw/zinc/85/50/19/1182855019.db2.gz SQYHTEWOIPKTGI-ZDUSSCGKSA-N 1 0 310.357 3.136 20 5 DGBDRO CCC[C@@H](O)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001461799201 1182856281 /nfs/dbraw/zinc/85/62/81/1182856281.db2.gz UQAIQRQBOFZFAC-OAHLLOKOSA-N 1 0 318.373 3.496 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C1CCCC1 ZINC001462538077 1182965871 /nfs/dbraw/zinc/96/58/71/1182965871.db2.gz ZQAHZMADMXXDBD-RDTXWAMCSA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C1CCCC1 ZINC001462538064 1182965932 /nfs/dbraw/zinc/96/59/32/1182965932.db2.gz ZQAHZMADMXXDBD-KBXCAEBGSA-N 1 0 320.433 3.447 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001465186773 1183134835 /nfs/dbraw/zinc/13/48/35/1183134835.db2.gz SHAMHAZNSRKECS-CYBMUJFWSA-N 1 0 322.409 3.145 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001472684332 1183666349 /nfs/dbraw/zinc/66/63/49/1183666349.db2.gz JLRSEUUKUIMLCE-SNVBAGLBSA-N 1 0 317.311 3.144 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC001472813347 1183684884 /nfs/dbraw/zinc/68/48/84/1183684884.db2.gz RZVCRGBZFUBGOD-HOTGVXAUSA-N 1 0 319.405 3.328 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC001473187891 1183725013 /nfs/dbraw/zinc/72/50/13/1183725013.db2.gz UJZXPVCWKQKKEH-DOTOQJQBSA-N 1 0 322.405 3.239 20 5 DGBDRO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC[N+](=O)[O-] ZINC001473286818 1183739372 /nfs/dbraw/zinc/73/93/72/1183739372.db2.gz NUEYNAXXCBSNAO-KXBFYZLASA-N 1 0 310.397 3.342 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2ccoc2)C2CC2)cc1 ZINC001473830942 1183809989 /nfs/dbraw/zinc/80/99/89/1183809989.db2.gz SDSAGADZWSCBSA-UHFFFAOYSA-N 1 0 302.330 3.231 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC001474136829 1183873545 /nfs/dbraw/zinc/87/35/45/1183873545.db2.gz RFUWLPVXYWEUNZ-KRWDZBQOSA-N 1 0 319.449 3.422 20 5 DGBDRO CC[C@H]1CCC[C@H]1C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001474152306 1183874958 /nfs/dbraw/zinc/87/49/58/1183874958.db2.gz PCUXMYCLNFZJLX-RYUDHWBXSA-N 1 0 308.378 3.225 20 5 DGBDRO CC[C@H](C)[C@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC001474396686 1183914501 /nfs/dbraw/zinc/91/45/01/1183914501.db2.gz MRUPRGVRERUJBR-NHYWBVRUSA-N 1 0 314.813 3.441 20 5 DGBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001474625402 1183952634 /nfs/dbraw/zinc/95/26/34/1183952634.db2.gz AGIZBZDXWKDVSD-OLZOCXBDSA-N 1 0 318.295 3.271 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC001474729038 1183968927 /nfs/dbraw/zinc/96/89/27/1183968927.db2.gz XPCBJKUKNHNRIT-WFASDCNBSA-N 1 0 312.797 3.279 20 5 DGBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc(C(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001516431423 1186783741 /nfs/dbraw/zinc/78/37/41/1186783741.db2.gz OODVOYOCBQODMH-QJPTWQEYSA-N 1 0 311.332 3.285 20 5 DGBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc(C(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC001516431424 1186783895 /nfs/dbraw/zinc/78/38/95/1186783895.db2.gz OODVOYOCBQODMH-SDDRHHMPSA-N 1 0 311.332 3.285 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001612450089 1193452687 /nfs/dbraw/zinc/45/26/87/1193452687.db2.gz CSSIIGVUZQWLOS-ZDUSSCGKSA-N 1 0 316.405 3.097 20 5 DGBDRO CC1(C)CC[N@H+](CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001613056543 1193466251 /nfs/dbraw/zinc/46/62/51/1193466251.db2.gz BYCZTHBTZNCIMD-UHFFFAOYSA-N 1 0 318.421 3.012 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC34CCC(CC3)C4)C2)nc1 ZINC001615971674 1193531446 /nfs/dbraw/zinc/53/14/46/1193531446.db2.gz HLFFHNHGKCGVGX-XOYHFGRZSA-N 1 0 316.405 3.056 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC001617361916 1193566784 /nfs/dbraw/zinc/56/67/84/1193566784.db2.gz ZSHHURIJYBIUGW-YWPYICTPSA-N 1 0 320.389 3.296 20 5 DGBDRO CC(C)C[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[NH+](C)C ZINC001559062491 1189166764 /nfs/dbraw/zinc/16/67/64/1189166764.db2.gz ZKVIPLMNOQPNAR-AWEZNQCLSA-N 1 0 320.437 3.257 20 5 DGBDRO CC[N@H+](CCCNc1ccc([N+](=O)[O-])nc1)C1CCCCC1 ZINC001559230043 1189183979 /nfs/dbraw/zinc/18/39/79/1189183979.db2.gz SRXMULSWEGRRNV-UHFFFAOYSA-N 1 0 306.410 3.446 20 5 DGBDRO CC[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H]1C ZINC001559769759 1189240986 /nfs/dbraw/zinc/24/09/86/1189240986.db2.gz SEKDNZHKORNMRI-RYUDHWBXSA-N 1 0 306.362 3.002 20 5 DGBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001559847721 1189250452 /nfs/dbraw/zinc/25/04/52/1189250452.db2.gz ZPUAVWGCPKUKSI-CUOATXAZSA-N 1 0 312.797 3.397 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC001559926489 1189257480 /nfs/dbraw/zinc/25/74/80/1189257480.db2.gz RNPCGPFMYMUCMV-INIZCTEOSA-N 1 0 322.430 3.191 20 5 DGBDRO Cn1cc(C[N@@H+]2CCC[C@H](C3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC001560026487 1189269916 /nfs/dbraw/zinc/26/99/16/1189269916.db2.gz XCVHLPCWYXUPCJ-AWEZNQCLSA-N 1 0 306.410 3.121 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc2nsnc21)c1ccc([N+](=O)[O-])cc1 ZINC001560133507 1189281610 /nfs/dbraw/zinc/28/16/10/1189281610.db2.gz ANDNPTRFZQEYCJ-JTQLQIEISA-N 1 0 314.370 3.450 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC001560455302 1189330199 /nfs/dbraw/zinc/33/01/99/1189330199.db2.gz HOXSIMJGLZWLNS-UHFFFAOYSA-N 1 0 318.417 3.244 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC001560487216 1189332872 /nfs/dbraw/zinc/33/28/72/1189332872.db2.gz BTPIAFBETIKOAR-MRXNPFEDSA-N 1 0 306.406 3.182 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(O)CCCC1(C)C ZINC001560484783 1189332965 /nfs/dbraw/zinc/33/29/65/1189332965.db2.gz VEGGXEBKTNOSGV-KRWDZBQOSA-N 1 0 306.406 3.242 20 5 DGBDRO O=[N+]([O-])c1cccc(CNC[C@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001560562534 1189341215 /nfs/dbraw/zinc/34/12/15/1189341215.db2.gz ZRDIQPZTVYNBLA-GOSISDBHSA-N 1 0 317.433 3.482 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC001560667565 1189358769 /nfs/dbraw/zinc/35/87/69/1189358769.db2.gz LWLWWZPAISCJDO-ZDUSSCGKSA-N 1 0 308.378 3.320 20 5 DGBDRO COc1c(O)ccc(C[NH+]2CCC(C)(C3CC3)CC2)c1[N+](=O)[O-] ZINC001560861382 1189395702 /nfs/dbraw/zinc/39/57/02/1189395702.db2.gz MOEKLQKPDBQQEH-UHFFFAOYSA-N 1 0 320.389 3.321 20 5 DGBDRO C[C@@H]([NH2+]C1CC(C(=O)OC(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001560995777 1189417228 /nfs/dbraw/zinc/41/72/28/1189417228.db2.gz XZXBJRRIOSLSHA-PNESKVBLSA-N 1 0 320.389 3.366 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC001560998396 1189418226 /nfs/dbraw/zinc/41/82/26/1189418226.db2.gz WPRHJFWYJWXRTF-HFQYIWAZSA-N 1 0 318.417 3.481 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)C[C@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC001560999251 1189418452 /nfs/dbraw/zinc/41/84/52/1189418452.db2.gz QCENQHIGEPCHHF-NSHDSACASA-N 1 0 310.394 3.423 20 5 DGBDRO CC(C)(C)[NH2+]CCNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001575148997 1191468645 /nfs/dbraw/zinc/46/86/45/1191468645.db2.gz CXWMMWWOEPAXOS-UHFFFAOYSA-N 1 0 319.327 3.091 20 5 DGBDRO CC(C)[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001575511390 1191486719 /nfs/dbraw/zinc/48/67/19/1191486719.db2.gz SMLBAZDADMVCLD-CYBMUJFWSA-N 1 0 317.311 3.048 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CN1CCCCC1 ZINC001620715152 1193794182 /nfs/dbraw/zinc/79/41/82/1193794182.db2.gz JWDTZPPAFUCEJI-CQSZACIVSA-N 1 0 305.422 3.176 20 5 DGBDRO CC(C)c1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001621108428 1193803427 /nfs/dbraw/zinc/80/34/27/1193803427.db2.gz OUUBKJKDWAIGTH-DJIMGWMZSA-N 1 0 317.433 3.148 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC001621260514 1193823545 /nfs/dbraw/zinc/82/35/45/1193823545.db2.gz YIKUIHZHYYPTKY-GFCCVEGCSA-N 1 0 308.378 3.367 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001621361850 1193833412 /nfs/dbraw/zinc/83/34/12/1193833412.db2.gz RCXPFAYGPFCALM-INIZCTEOSA-N 1 0 320.389 3.320 20 5 DGBDRO CC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001621388533 1193836419 /nfs/dbraw/zinc/83/64/19/1193836419.db2.gz MNWSLZQBFZLGPT-UHFFFAOYSA-N 1 0 308.378 3.320 20 5 DGBDRO Cc1ccc(NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC001621534914 1193854914 /nfs/dbraw/zinc/85/49/14/1193854914.db2.gz DINFBQHJRCOWDJ-UHFFFAOYSA-N 1 0 320.780 3.153 20 5 DGBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC001629839427 1194255250 /nfs/dbraw/zinc/25/52/50/1194255250.db2.gz OHPUCOMTLMOETH-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO CC[C@@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001636456701 1194614681 /nfs/dbraw/zinc/61/46/81/1194614681.db2.gz JPHXTSNSQDLMCI-XJKCOSOUSA-N 1 0 319.405 3.035 20 5 DGBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCCCCC1 ZINC001639235523 1194756545 /nfs/dbraw/zinc/75/65/45/1194756545.db2.gz DETYVHCPBYFOMQ-OAHLLOKOSA-N 1 0 324.400 3.441 20 5 DGBDRO CN(CC[N@H+](C)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC001639349491 1194761457 /nfs/dbraw/zinc/76/14/57/1194761457.db2.gz HXXFLYKXFCKUGH-UHFFFAOYSA-N 1 0 309.385 3.435 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC001640154486 1194799246 /nfs/dbraw/zinc/79/92/46/1194799246.db2.gz GSECVNLRDXEKQH-OLZOCXBDSA-N 1 0 311.332 3.158 20 5 DGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001640155857 1194799457 /nfs/dbraw/zinc/79/94/57/1194799457.db2.gz XFJFPGFXIXFBFA-LBPRGKRZSA-N 1 0 322.365 3.035 20 5 DGBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001642627519 1194923797 /nfs/dbraw/zinc/92/37/97/1194923797.db2.gz PVBJDUHGSCCGRC-UHFFFAOYSA-N 1 0 313.348 3.455 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001643327486 1195015381 /nfs/dbraw/zinc/01/53/81/1195015381.db2.gz WHHGCRSBQQMIOG-INIZCTEOSA-N 1 0 317.776 3.399 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2([C@@H]3CCCCO3)CCC2)cc1 ZINC001644275933 1195094827 /nfs/dbraw/zinc/09/48/27/1195094827.db2.gz WQAAJWWLHDLEIQ-INIZCTEOSA-N 1 0 320.389 3.055 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC001647784207 1195253403 /nfs/dbraw/zinc/25/34/03/1195253403.db2.gz MLJTXOAJUGUFNL-ZIAGYGMSSA-N 1 0 319.405 3.352 20 5 DGBDRO C[N@@H+]1C[C@@]2(C)CN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@]2(C)C1 ZINC001647929575 1195265848 /nfs/dbraw/zinc/26/58/48/1195265848.db2.gz IUAUGWFOPUTPBG-IYBDPMFKSA-N 1 0 323.824 3.022 20 5 DGBDRO C[NH+]1C[C@]2(C)CN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@]2(C)C1 ZINC001647929574 1195266050 /nfs/dbraw/zinc/26/60/50/1195266050.db2.gz IUAUGWFOPUTPBG-HZPDHXFCSA-N 1 0 323.824 3.022 20 5 DGBDRO O=[N+]([O-])c1cc2c(nc1NCCC[NH+]1CCCCC1)CCCC2 ZINC001649431724 1195336507 /nfs/dbraw/zinc/33/65/07/1195336507.db2.gz IHUFFXZKXHWFGV-UHFFFAOYSA-N 1 0 318.421 3.157 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC001650697389 1195372041 /nfs/dbraw/zinc/37/20/41/1195372041.db2.gz PLWUBKHELZETLX-CQSZACIVSA-N 1 0 306.410 3.365 20 5 DGBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001651166353 1195422352 /nfs/dbraw/zinc/42/23/52/1195422352.db2.gz OCNBBUHSEINGLB-VIFPVBQESA-N 1 0 318.204 3.432 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001651234676 1195430030 /nfs/dbraw/zinc/43/00/30/1195430030.db2.gz MAWCWEUZANCZRX-ZDUSSCGKSA-N 1 0 318.421 3.153 20 5 DGBDRO C[C@H]1[C@@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001651434769 1195460211 /nfs/dbraw/zinc/46/02/11/1195460211.db2.gz CPXDTYPHQIGOHH-WPRPVWTQSA-N 1 0 303.284 3.118 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001651528171 1195476486 /nfs/dbraw/zinc/47/64/86/1195476486.db2.gz VWCWIUFDKJXVCG-ZDUSSCGKSA-N 1 0 316.405 3.097 20 5 DGBDRO C[N@H+](CCNc1ccc(F)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001651600021 1195485631 /nfs/dbraw/zinc/48/56/31/1195485631.db2.gz KFMIHQZVVPQPAY-UHFFFAOYSA-N 1 0 321.327 3.417 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C)C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC001651868003 1195517840 /nfs/dbraw/zinc/51/78/40/1195517840.db2.gz LWOOEYGKGBAKTA-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO Cc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC001651993356 1195533244 /nfs/dbraw/zinc/53/32/44/1195533244.db2.gz QCAAPMTWSCSFQC-DZGCQCFKSA-N 1 0 307.369 3.471 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC001651993558 1195534106 /nfs/dbraw/zinc/53/41/06/1195534106.db2.gz YTWPGQFIZCAUHA-UHFFFAOYSA-N 1 0 309.385 3.353 20 5 DGBDRO O=[N+]([O-])c1c(N[C@@H]2C[NH+]3CCC2CC3)cccc1C(F)(F)F ZINC001652320701 1195581630 /nfs/dbraw/zinc/58/16/30/1195581630.db2.gz WVOHPIMHCIYTNQ-GFCCVEGCSA-N 1 0 315.295 3.120 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1CCC(C)C ZINC001652814518 1195655344 /nfs/dbraw/zinc/65/53/44/1195655344.db2.gz DXPBUDHYAZUVOD-HNNXBMFYSA-N 1 0 308.426 3.390 20 5 DGBDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1OC ZINC001653518268 1195730570 /nfs/dbraw/zinc/73/05/70/1195730570.db2.gz JADDWFZICMSPMP-GJZGRUSLSA-N 1 0 310.369 3.417 20 5 DGBDRO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@@H](C)C1 ZINC001653736469 1195747454 /nfs/dbraw/zinc/74/74/54/1195747454.db2.gz ULQUCCNXZLYFBB-CABCVRRESA-N 1 0 308.426 3.472 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC001653769926 1195748817 /nfs/dbraw/zinc/74/88/17/1195748817.db2.gz QRPGKRLDDJNXRN-TZMCWYRMSA-N 1 0 308.426 3.246 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC001654424744 1195802033 /nfs/dbraw/zinc/80/20/33/1195802033.db2.gz BCPOKLLEDPIYPR-UHFFFAOYSA-N 1 0 306.406 3.415 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCCCC3)CC2)c(F)c1 ZINC001655049589 1195869546 /nfs/dbraw/zinc/86/95/46/1195869546.db2.gz WEWUWMWMYIGHBJ-UHFFFAOYSA-N 1 0 321.396 3.436 20 5 DGBDRO CC(C)(C)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC001655130893 1195881383 /nfs/dbraw/zinc/88/13/83/1195881383.db2.gz OBVCLWQNADFHPF-MRXNPFEDSA-N 1 0 322.405 3.111 20 5 DGBDRO C[C@@](CO)([NH2+]CCCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001655317981 1195903309 /nfs/dbraw/zinc/90/33/09/1195903309.db2.gz NDSUELKTQJMLTL-KRWDZBQOSA-N 1 0 306.406 3.362 20 5 DGBDRO COC[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001655451714 1195919099 /nfs/dbraw/zinc/91/90/99/1195919099.db2.gz PXEAXCAAMGGPNA-GFCCVEGCSA-N 1 0 304.346 3.227 20 5 DGBDRO Cc1ccc(C)c(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC001655528662 1195928228 /nfs/dbraw/zinc/92/82/28/1195928228.db2.gz HDJSPQJOYZWZTQ-UHFFFAOYSA-N 1 0 300.358 3.380 20 5 DGBDRO C[C@H](C[NH2+]Cc1cn2ccccc2n1)c1ccccc1[N+](=O)[O-] ZINC001657051905 1196096633 /nfs/dbraw/zinc/09/66/33/1196096633.db2.gz IKSSPLXJBADFTR-CYBMUJFWSA-N 1 0 310.357 3.136 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3C[C@@H]4CC[C@H]3O4)o2)c1 ZINC001657158825 1196113147 /nfs/dbraw/zinc/11/31/47/1196113147.db2.gz BVFGCADMQWWMPA-YSVLISHTSA-N 1 0 314.341 3.264 20 5 DGBDRO CCOc1cc(F)cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC001657287300 1196127267 /nfs/dbraw/zinc/12/72/67/1196127267.db2.gz AOFLJTYGVMIBNA-UHFFFAOYSA-N 1 0 318.348 3.465 20 5 DGBDRO CCCn1nc(C)c(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1C ZINC001657287372 1196127470 /nfs/dbraw/zinc/12/74/70/1196127470.db2.gz DUMMRWOLCOUCGY-UHFFFAOYSA-N 1 0 316.405 3.150 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001657642219 1196164650 /nfs/dbraw/zinc/16/46/50/1196164650.db2.gz IASIJPHXEVNLPR-UHFFFAOYSA-N 1 0 312.369 3.382 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CC3CCC2CC3)c([N+](=O)[O-])cc1O ZINC001658175100 1196221155 /nfs/dbraw/zinc/22/11/55/1196221155.db2.gz QMBGYSOIPZXRRY-BPCQOVAHSA-N 1 0 320.389 3.225 20 5 DGBDRO COC(=O)[C@@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)CC(C)C ZINC001658237001 1196228928 /nfs/dbraw/zinc/22/89/28/1196228928.db2.gz BPEBIUIBZAERIR-CQSZACIVSA-N 1 0 322.405 3.137 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001658506605 1196266731 /nfs/dbraw/zinc/26/67/31/1196266731.db2.gz MTHYAGMSDQHWMA-HJWJTTGWSA-N 1 0 318.417 3.463 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@]23C[C@H]2CCC3)c1 ZINC001658655665 1196285841 /nfs/dbraw/zinc/28/58/41/1196285841.db2.gz ZIPALEYMISOWAZ-ABAIWWIYSA-N 1 0 312.316 3.476 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001660030779 1196439081 /nfs/dbraw/zinc/43/90/81/1196439081.db2.gz DPXAXHZPVHTRCR-VNHYZAJKSA-N 1 0 320.389 3.225 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1COC(C)(C)C ZINC001660083587 1196443245 /nfs/dbraw/zinc/44/32/45/1196443245.db2.gz BNPUZABQNLCXEW-OAHLLOKOSA-N 1 0 322.405 3.383 20 5 DGBDRO CO[C@@H](C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001660097026 1196444653 /nfs/dbraw/zinc/44/46/53/1196444653.db2.gz PABICMWOTBLWRL-DYVFJYSZSA-N 1 0 306.406 3.493 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH2+]C(CC)CC ZINC001662493365 1196725147 /nfs/dbraw/zinc/72/51/47/1196725147.db2.gz SSKNCLNYCUKSMA-UHFFFAOYSA-N 1 0 322.409 3.057 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001662971539 1196778751 /nfs/dbraw/zinc/77/87/51/1196778751.db2.gz XKFACFXCNWNHQD-IAGOWNOFSA-N 1 0 304.390 3.341 20 5 DGBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C[C@H]1C=CCC1 ZINC001663151694 1196800558 /nfs/dbraw/zinc/80/05/58/1196800558.db2.gz GXUVRYWMTUEEGM-JTQLQIEISA-N 1 0 311.179 3.413 20 5 DGBDRO CCC(CC)[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC001676162125 1198238693 /nfs/dbraw/zinc/23/86/93/1198238693.db2.gz MVAXWPSFYSDGCO-UHFFFAOYSA-N 1 0 322.409 3.111 20 5 DGBDRO Cc1cc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001681194390 1198959021 /nfs/dbraw/zinc/95/90/21/1198959021.db2.gz BWJVSOLESREDPD-GFCCVEGCSA-N 1 0 322.409 3.001 20 5 DGBDRO [NH3+]CCc1ccc(CNc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000123106688 1200272277 /nfs/dbraw/zinc/27/22/77/1200272277.db2.gz IGERMVHNYIKJCK-UHFFFAOYSA-N 1 0 305.765 3.362 20 5 DGBDRO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])ccc2Cl)c2cccnc12 ZINC001169707904 1081635742 /nfs/dbraw/zinc/63/57/42/1081635742.db2.gz AAHYMSPKYPMEHI-UHFFFAOYSA-N 1 0 316.748 3.088 20 5 DGBDRO Cc1cc(Cl)nc(NCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001156377949 1081653204 /nfs/dbraw/zinc/65/32/04/1081653204.db2.gz HTPVZGVOAYDWSX-NSHDSACASA-N 1 0 312.801 3.095 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NCC12CC[NH+](CC1)CC2 ZINC001169796427 1081657324 /nfs/dbraw/zinc/65/73/24/1081657324.db2.gz NKPNGCBLFUZTFX-UHFFFAOYSA-N 1 0 303.406 3.418 20 5 DGBDRO Cc1cc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001648794281 1081772499 /nfs/dbraw/zinc/77/24/99/1081772499.db2.gz GHLQRSFBUFXBIK-XQQFMLRXSA-N 1 0 305.378 3.103 20 5 DGBDRO [NH3+]Cc1cccn1-c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001156736029 1081845307 /nfs/dbraw/zinc/84/53/07/1081845307.db2.gz FRUSZXXRHWKNPW-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ncccc2C)c([N+](=O)[O-])c1 ZINC001170298605 1082338143 /nfs/dbraw/zinc/33/81/43/1082338143.db2.gz MYWSVVGJDBFIGO-CYBMUJFWSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]C2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC001170305558 1082340893 /nfs/dbraw/zinc/34/08/93/1082340893.db2.gz NDEKYROMCZOLBP-GRTSSRMGSA-N 1 0 322.405 3.082 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@](C)(CF)C2)c([N+](=O)[O-])c1 ZINC001170328718 1082347459 /nfs/dbraw/zinc/34/74/59/1082347459.db2.gz LQVSCQALEOLRFD-LRDDRELGSA-N 1 0 310.369 3.216 20 5 DGBDRO CCC1([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCOCC1 ZINC001170329269 1082347656 /nfs/dbraw/zinc/34/76/56/1082347656.db2.gz YTQMCLUBRMYZCN-CYBMUJFWSA-N 1 0 322.405 3.083 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC001170327480 1082347863 /nfs/dbraw/zinc/34/78/63/1082347863.db2.gz SCJDZIGMTPWYFT-NFFDBFGFSA-N 1 0 304.390 3.313 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH+]2CC3(C2)CCCC3)c([N+](=O)[O-])c1 ZINC001170336395 1082348585 /nfs/dbraw/zinc/34/85/85/1082348585.db2.gz XKKKJEWGGHUDGZ-CYBMUJFWSA-N 1 0 304.390 3.410 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]C(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC001170306544 1082348740 /nfs/dbraw/zinc/34/87/40/1082348740.db2.gz XEKMJGYAMGATGF-LLVKDONJSA-N 1 0 304.390 3.313 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC001170345232 1082357205 /nfs/dbraw/zinc/35/72/05/1082357205.db2.gz IJAWLKKEPAWVBQ-OLZOCXBDSA-N 1 0 310.369 3.216 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCc3occc3C2)c([N+](=O)[O-])c1 ZINC001170351806 1082357829 /nfs/dbraw/zinc/35/78/29/1082357829.db2.gz JNILGOCRPOIPIZ-GFCCVEGCSA-N 1 0 316.357 3.186 20 5 DGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cnc(Cl)cc1[N+](=O)[O-] ZINC001167624805 1082617891 /nfs/dbraw/zinc/61/78/91/1082617891.db2.gz BDASGICXRJDJSJ-UHFFFAOYSA-N 1 0 312.801 3.128 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+](C)CC23CCCC3)n1 ZINC001158408456 1082689786 /nfs/dbraw/zinc/68/97/86/1082689786.db2.gz JPVNPSIEHSDWKW-UHFFFAOYSA-N 1 0 324.812 3.016 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CCC[NH2+]C[C@@H]2F)cc1Cl ZINC001217953241 1082965902 /nfs/dbraw/zinc/96/59/02/1082965902.db2.gz XLARHRNVAJLAKC-GXSJLCMTSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(F)cnc2Cl)cc1 ZINC001181988342 1083595493 /nfs/dbraw/zinc/59/54/93/1083595493.db2.gz ZBECQRRDXPNYMV-UHFFFAOYSA-N 1 0 309.728 3.115 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2cc[nH+]cc2Oc2ccccc2)cn1 ZINC001203560339 1083887073 /nfs/dbraw/zinc/88/70/73/1083887073.db2.gz KOBJDLJZMMGMOF-UHFFFAOYSA-N 1 0 308.297 3.343 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCn1cnc2ccccc21 ZINC001648935314 1084125386 /nfs/dbraw/zinc/12/53/86/1084125386.db2.gz FPQHELYRXHLXKI-UHFFFAOYSA-N 1 0 324.384 3.351 20 5 DGBDRO CC(C)(C)c1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC001167837665 1084161502 /nfs/dbraw/zinc/16/15/02/1084161502.db2.gz VNECQURIZKYCAU-UHFFFAOYSA-N 1 0 323.462 3.353 20 5 DGBDRO O=[N+]([O-])c1ccc(CCNc2cc[nH+]cc2C(F)(F)F)cc1 ZINC001184982007 1084304126 /nfs/dbraw/zinc/30/41/26/1084304126.db2.gz HKCJNUGCSBHYKL-UHFFFAOYSA-N 1 0 311.263 3.085 20 5 DGBDRO C[C@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001185565320 1084472291 /nfs/dbraw/zinc/47/22/91/1084472291.db2.gz NKVCYURQMKFDLJ-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001186764376 1084699080 /nfs/dbraw/zinc/69/90/80/1084699080.db2.gz PVVIAVODEBDWCH-NSHDSACASA-N 1 0 317.311 3.144 20 5 DGBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001186764375 1084699311 /nfs/dbraw/zinc/69/93/11/1084699311.db2.gz PVVIAVODEBDWCH-LLVKDONJSA-N 1 0 317.311 3.144 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1(C)C ZINC001186791216 1084704310 /nfs/dbraw/zinc/70/43/10/1084704310.db2.gz LTSYWSQQDBULFU-HUUCEWRRSA-N 1 0 314.389 3.284 20 5 DGBDRO CC(C)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001307412475 1087337366 /nfs/dbraw/zinc/33/73/66/1087337366.db2.gz GEOMFORKCKBRMC-UHFFFAOYSA-N 1 0 307.394 3.290 20 5 DGBDRO CC(C)(C)C[N@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000689903842 1087644433 /nfs/dbraw/zinc/64/44/33/1087644433.db2.gz BDVVGCDDMMLVFM-UHFFFAOYSA-N 1 0 300.786 3.089 20 5 DGBDRO CC1(C)C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001158264057 1087748643 /nfs/dbraw/zinc/74/86/43/1087748643.db2.gz ANNNTIBWSBPUSM-NHYWBVRUSA-N 1 0 310.373 3.085 20 5 DGBDRO CC[N@@H+]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)C(C)(C)C1 ZINC001158563118 1087914577 /nfs/dbraw/zinc/91/45/77/1087914577.db2.gz YEMGTXDVWADSEO-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ncc([N+](=O)[O-])cc1F ZINC001158730006 1087995903 /nfs/dbraw/zinc/99/59/03/1087995903.db2.gz MHDGUDLNNSBXCK-AWEZNQCLSA-N 1 0 316.336 3.369 20 5 DGBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)c1 ZINC001159920472 1088550906 /nfs/dbraw/zinc/55/09/06/1088550906.db2.gz FZBFVDZKEAUQQG-INIZCTEOSA-N 1 0 317.320 3.218 20 5 DGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc([N+](=O)[O-])ccn3)c2c1 ZINC001160004204 1088596042 /nfs/dbraw/zinc/59/60/42/1088596042.db2.gz LFVUXQOEHDYBBF-GFCCVEGCSA-N 1 0 310.357 3.132 20 5 DGBDRO [NH3+]CCc1cc2ccccc2n1-c1ncc([N+](=O)[O-])cc1Cl ZINC001160125075 1088652755 /nfs/dbraw/zinc/65/27/55/1088652755.db2.gz UJVPKENMPRXZDF-UHFFFAOYSA-N 1 0 316.748 3.088 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2cccc(O[C@H]3CCC[NH2+]C3)c2)cc1 ZINC001160210472 1088699421 /nfs/dbraw/zinc/69/94/21/1088699421.db2.gz BKRIZVWOXXBXJH-KRWDZBQOSA-N 1 0 313.357 3.469 20 5 DGBDRO [NH3+]Cc1cccc2ccn(-c3ncc([N+](=O)[O-])cc3Cl)c21 ZINC001160453843 1088810516 /nfs/dbraw/zinc/81/05/16/1088810516.db2.gz RCBZIEWFRGQNSG-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001160469282 1088822395 /nfs/dbraw/zinc/82/23/95/1088822395.db2.gz VBRCOLLNNFQQQE-CNDDSTCGSA-N 1 0 310.785 3.070 20 5 DGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)C1([NH3+])CC1 ZINC001160734541 1088937186 /nfs/dbraw/zinc/93/71/86/1088937186.db2.gz BAPDJTFQYNGULQ-UHFFFAOYSA-N 1 0 304.393 3.443 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001160968341 1089046733 /nfs/dbraw/zinc/04/67/33/1089046733.db2.gz LQNGSZGTPZXHNC-CYBMUJFWSA-N 1 0 300.362 3.039 20 5 DGBDRO CCC(CC)[NH+]1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001161095407 1089111892 /nfs/dbraw/zinc/11/18/92/1089111892.db2.gz VPJCPYVYGXMHIA-UHFFFAOYSA-N 1 0 310.373 3.194 20 5 DGBDRO Cc1nc(NC2CC[NH+](CC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001161205615 1089153189 /nfs/dbraw/zinc/15/31/89/1089153189.db2.gz FGWAWZURKAUURK-UHFFFAOYSA-N 1 0 306.410 3.221 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001155548473 1089154333 /nfs/dbraw/zinc/15/43/33/1089154333.db2.gz BVDOOOZCHYPRPI-OCCSQVGLSA-N 1 0 318.764 3.158 20 5 DGBDRO Cc1nc(NCC2CC[NH+](CC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC001161229510 1089161287 /nfs/dbraw/zinc/16/12/87/1089161287.db2.gz XZVSYYQDWZVZBZ-UHFFFAOYSA-N 1 0 318.421 3.222 20 5 DGBDRO CCCCC[C@H]([NH2+]C)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212281417 1089294644 /nfs/dbraw/zinc/29/46/44/1089294644.db2.gz XXNDWLRCKJAMIG-JTQLQIEISA-N 1 0 323.328 3.020 20 5 DGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cc([N+](=O)[O-])ccn1 ZINC001155989464 1089334723 /nfs/dbraw/zinc/33/47/23/1089334723.db2.gz IXNMAGBBYHLKJY-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO Cc1nc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001161678101 1089341736 /nfs/dbraw/zinc/34/17/36/1089341736.db2.gz YLGDNQRJKFFAMP-HDJSIYSDSA-N 1 0 320.437 3.421 20 5 DGBDRO C[NH+]1CCC(Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001162010833 1089524477 /nfs/dbraw/zinc/52/44/77/1089524477.db2.gz VAYTUNGFHWRWKB-UHFFFAOYSA-N 1 0 304.177 3.408 20 5 DGBDRO C[NH+](C)[C@H](CNc1cccc(C(F)(F)F)c1[N+](=O)[O-])C1CC1 ZINC001162423919 1089729165 /nfs/dbraw/zinc/72/91/65/1089729165.db2.gz FAMWGLBNWXKZFR-GFCCVEGCSA-N 1 0 317.311 3.366 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001162456579 1089741826 /nfs/dbraw/zinc/74/18/26/1089741826.db2.gz JQCCMPWJYHKDOG-WCQYABFASA-N 1 0 302.378 3.124 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001162467018 1089749011 /nfs/dbraw/zinc/74/90/11/1089749011.db2.gz OSWIFISOTLSOEF-OLZOCXBDSA-N 1 0 314.389 3.191 20 5 DGBDRO Cc1cc(Cl)nc(Nc2ccc(C[NH3+])c(F)c2)c1[N+](=O)[O-] ZINC001162522388 1089770349 /nfs/dbraw/zinc/77/03/49/1089770349.db2.gz AWSXZDRANUDNLW-UHFFFAOYSA-N 1 0 310.716 3.293 20 5 DGBDRO C[C@@H]1C[C@@H](CNc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[NH2+]1 ZINC001162556510 1089787135 /nfs/dbraw/zinc/78/71/35/1089787135.db2.gz HHGAFZAWVADEKJ-RKDXNWHRSA-N 1 0 303.284 3.024 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001162849212 1089992770 /nfs/dbraw/zinc/99/27/70/1089992770.db2.gz MODZZRLDWNPHGT-AWEZNQCLSA-N 1 0 320.352 3.165 20 5 DGBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc([N+](=O)[O-])c3nccn3c2)c1 ZINC001162908364 1090017954 /nfs/dbraw/zinc/01/79/54/1090017954.db2.gz NNGJFGZDNISERK-LLVKDONJSA-N 1 0 321.340 3.206 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(NC3CC4(C3)CCC[NH2+]C4)c2c1 ZINC001162982319 1090044977 /nfs/dbraw/zinc/04/49/77/1090044977.db2.gz YPSDRAZEGCSFQN-UHFFFAOYSA-N 1 0 312.373 3.087 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c(C(F)(F)F)c1 ZINC001162984081 1090046065 /nfs/dbraw/zinc/04/60/65/1090046065.db2.gz CSDYAMPRWOBILK-QWHCGFSZSA-N 1 0 315.295 3.310 20 5 DGBDRO [NH3+]CC[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])c2ccccc21 ZINC001157740147 1090093928 /nfs/dbraw/zinc/09/39/28/1090093928.db2.gz RJWJZCFGVCTZGH-SNVBAGLBSA-N 1 0 318.764 3.227 20 5 DGBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001157746776 1090095532 /nfs/dbraw/zinc/09/55/32/1090095532.db2.gz NOKVOKIFXCLFQM-MWLCHTKSSA-N 1 0 320.780 3.112 20 5 DGBDRO O=[N+]([O-])c1c(F)cc(F)cc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163228053 1090124853 /nfs/dbraw/zinc/12/48/53/1090124853.db2.gz HJQHCBCKECESTI-LLVKDONJSA-N 1 0 311.313 3.191 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001163248943 1090130500 /nfs/dbraw/zinc/13/05/00/1090130500.db2.gz NSAAJDYLCWSJNQ-AWEZNQCLSA-N 1 0 314.389 3.429 20 5 DGBDRO CC(C)(C)c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001163267228 1090134752 /nfs/dbraw/zinc/13/47/52/1090134752.db2.gz NNTNMNACZDXOBI-XBFCOCLRSA-N 1 0 303.406 3.302 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(N(CC(C)(C)C)C2CC[NH2+]CC2)n1 ZINC001157883725 1090139290 /nfs/dbraw/zinc/13/92/90/1090139290.db2.gz BNYZMWFHAWWBRH-UHFFFAOYSA-N 1 0 320.437 3.211 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Nc2nccc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC001163357831 1090160191 /nfs/dbraw/zinc/16/01/91/1090160191.db2.gz MJBLVRUTEWGFDQ-PWSUYJOCSA-N 1 0 312.801 3.174 20 5 DGBDRO [NH3+]CCN(c1cccnc1)c1ccc2ccc3cccnc3c2n1 ZINC001158000023 1090168605 /nfs/dbraw/zinc/16/86/05/1090168605.db2.gz FTLLUJXJUKQGTQ-UHFFFAOYSA-N 1 0 315.380 3.275 20 5 DGBDRO Cc1ccc2c(ccnc2N(CCC[NH3+])C(C)C)c1[N+](=O)[O-] ZINC001164122901 1090348948 /nfs/dbraw/zinc/34/89/48/1090348948.db2.gz ROPRSNXOLLVQGS-UHFFFAOYSA-N 1 0 302.378 3.015 20 5 DGBDRO CC[C@H](C)[C@H](Nc1ccccc1C[N+](C)(C)CC)C(=O)OC ZINC001164135079 1090352860 /nfs/dbraw/zinc/35/28/60/1090352860.db2.gz LOSRJCHWXBKXIC-YOEHRIQHSA-N 1 0 307.458 3.283 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCCCC23CC[NH2+]CC3)n1 ZINC001165335170 1090507254 /nfs/dbraw/zinc/50/72/54/1090507254.db2.gz PYMGWIBOJFZIIP-UHFFFAOYSA-N 1 0 324.812 3.064 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001168593608 1090593786 /nfs/dbraw/zinc/59/37/86/1090593786.db2.gz QGWXXQWVHUPLMZ-HOTGVXAUSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2COc3cc(F)ccc3C2)cccc1[N+](=O)[O-] ZINC001203180781 1090704312 /nfs/dbraw/zinc/70/43/12/1090704312.db2.gz CEHSTZLTSYLUGU-HNNXBMFYSA-N 1 0 316.332 3.136 20 5 DGBDRO CC[C@](C)(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)OC ZINC001204609201 1091006149 /nfs/dbraw/zinc/00/61/49/1091006149.db2.gz PLNPGZQAVHNMKQ-QGZVFWFLSA-N 1 0 322.405 3.253 20 5 DGBDRO Nc1cn(-c2ccccc2[N+](=O)[O-])cc(-c2cccc(F)c2)c1=[NH2+] ZINC001206150494 1091510985 /nfs/dbraw/zinc/51/09/85/1091510985.db2.gz WTYIFHMIUYGIQE-UHFFFAOYSA-N 1 0 324.315 3.253 20 5 DGBDRO OC[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1O ZINC001141723104 1092323566 /nfs/dbraw/zinc/32/35/66/1092323566.db2.gz OQPZJEKHTVJTIH-UTKZUKDTSA-N 1 0 321.420 3.168 20 5 DGBDRO [NH3+]CCc1cnn(-c2nc3c(ccc4ccccc43)nc2Cl)c1 ZINC001168947362 1092450914 /nfs/dbraw/zinc/45/09/14/1092450914.db2.gz YSUPERLSXAHIKY-UHFFFAOYSA-N 1 0 323.787 3.123 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)cc(Cl)cc2F)C1 ZINC001168978013 1092456842 /nfs/dbraw/zinc/45/68/42/1092456842.db2.gz NULJMASWBUKRDH-PSASIEDQSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)C1 ZINC001168978266 1092458652 /nfs/dbraw/zinc/45/86/52/1092458652.db2.gz QNWCDZFEMCQOEI-UWVGGRQHSA-N 1 0 320.286 3.380 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC001168978562 1092458700 /nfs/dbraw/zinc/45/87/00/1092458700.db2.gz SLSXJZBAGQVKGH-DTWKUNHWSA-N 1 0 319.224 3.046 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccsc2Br)C1 ZINC001168978599 1092458708 /nfs/dbraw/zinc/45/87/08/1092458708.db2.gz SRQUFFXUQJCDJP-WCBMZHEXSA-N 1 0 319.224 3.046 20 5 DGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978850 1092458716 /nfs/dbraw/zinc/45/87/16/1092458716.db2.gz UWCRGSMJRLUSBB-SQWLQELKSA-N 1 0 303.406 3.040 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC001168957354 1092462770 /nfs/dbraw/zinc/46/27/70/1092462770.db2.gz GIYUOROXKWULIG-CMPLNLGQSA-N 1 0 302.296 3.240 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC001168958754 1092462846 /nfs/dbraw/zinc/46/28/46/1092462846.db2.gz PEYLHNUUXWVCBD-CMPLNLGQSA-N 1 0 318.295 3.120 20 5 DGBDRO Cc1ccc(Cl)c(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1F ZINC001168963952 1092466755 /nfs/dbraw/zinc/46/67/55/1092466755.db2.gz QVRSPTSSIZNFBX-QWRGUYRKSA-N 1 0 300.761 3.323 20 5 DGBDRO Cc1cccc2c(CC[NH3+])cn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)c21 ZINC001168968458 1092470274 /nfs/dbraw/zinc/47/02/74/1092470274.db2.gz ZGYFYMBCPMHCOJ-HIFRSBDPSA-N 1 0 301.390 3.069 20 5 DGBDRO COc1cccc(CC(C)(C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168996964 1092479390 /nfs/dbraw/zinc/47/93/90/1092479390.db2.gz AFJCROYGVBIRCL-CABCVRRESA-N 1 0 306.406 3.051 20 5 DGBDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ccc(F)cc1 ZINC001168998506 1092479402 /nfs/dbraw/zinc/47/94/02/1092479402.db2.gz NUGUCKQFYWESFI-ZBFHGGJFSA-N 1 0 308.397 3.429 20 5 DGBDRO COc1ccc(CC2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168997708 1092479635 /nfs/dbraw/zinc/47/96/35/1092479635.db2.gz FASCGKGXZQLJIK-HOTGVXAUSA-N 1 0 318.417 3.053 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)C1 ZINC001169001149 1092481180 /nfs/dbraw/zinc/48/11/80/1092481180.db2.gz CVVROUWFGITWNG-RSAASHCRSA-N 1 0 310.344 3.377 20 5 DGBDRO COc1ccccc1CC(C)(C)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168999457 1092481463 /nfs/dbraw/zinc/48/14/63/1092481463.db2.gz UBIFMQXKWMHNKT-HOCLYGCPSA-N 1 0 320.433 3.299 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2cncc(Cl)c2)C2CC2)C1 ZINC001168999923 1092481572 /nfs/dbraw/zinc/48/15/72/1092481572.db2.gz WHGXKVPOONSPTG-ONERCXAPSA-N 1 0 309.797 3.221 20 5 DGBDRO CC(C)(C)Oc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168989322 1092491501 /nfs/dbraw/zinc/49/15/01/1092491501.db2.gz VYUHEKXZTTZSBY-LSDHHAIUSA-N 1 0 306.406 3.399 20 5 DGBDRO CC(C)(C)Oc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168989321 1092492002 /nfs/dbraw/zinc/49/20/02/1092492002.db2.gz VYUHEKXZTTZSBY-HUUCEWRRSA-N 1 0 306.406 3.399 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)c2c1 ZINC001168987429 1092492090 /nfs/dbraw/zinc/49/20/90/1092492090.db2.gz IKCUITUHWPMCEI-OFQRWUPVSA-N 1 0 315.417 3.457 20 5 DGBDRO Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169029704 1092494099 /nfs/dbraw/zinc/49/40/99/1092494099.db2.gz VJDSIVPTOCVSDM-BRWVUGGUSA-N 1 0 318.417 3.284 20 5 DGBDRO CC(C)[N@H+](CC(=O)c1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039295 1092500918 /nfs/dbraw/zinc/50/09/18/1092500918.db2.gz PKRHNCWSPRRSNA-GOEBONIOSA-N 1 0 304.390 3.025 20 5 DGBDRO Cc1ccc(OC2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169024374 1092505712 /nfs/dbraw/zinc/50/57/12/1092505712.db2.gz GVELALXCLANCAA-CVEARBPZSA-N 1 0 318.417 3.284 20 5 DGBDRO COc1cccc(C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169046943 1092507907 /nfs/dbraw/zinc/50/79/07/1092507907.db2.gz PBHXHBLPNGGNDS-WMLDXEAASA-N 1 0 318.417 3.320 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001169056910 1092513260 /nfs/dbraw/zinc/51/32/60/1092513260.db2.gz UEICZSJAUCZXBS-DJIMGWMZSA-N 1 0 306.381 3.278 20 5 DGBDRO COc1ncc(Nc2cc[nH+]c(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC001210137014 1093055097 /nfs/dbraw/zinc/05/50/97/1093055097.db2.gz QIKCYSKSSULWNL-UHFFFAOYSA-N 1 0 302.334 3.435 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccc(C[NH+](C)C)c1 ZINC001210444770 1093168763 /nfs/dbraw/zinc/16/87/63/1093168763.db2.gz OYSSLDURYAHNHJ-UHFFFAOYSA-N 1 0 301.346 3.409 20 5 DGBDRO Cc1ccc(Nc2cnn(C3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC001213663655 1093636195 /nfs/dbraw/zinc/63/61/95/1093636195.db2.gz RCMKMNDDNFNZET-UHFFFAOYSA-N 1 0 315.377 3.110 20 5 DGBDRO Cc1ccc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001120071987 1094370926 /nfs/dbraw/zinc/37/09/26/1094370926.db2.gz CJQJLYHUMBJZQA-ZNMIVQPWSA-N 1 0 303.406 3.070 20 5 DGBDRO Cc1ccc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001120071985 1094371077 /nfs/dbraw/zinc/37/10/77/1094371077.db2.gz CJQJLYHUMBJZQA-RRFJBIMHSA-N 1 0 303.406 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2CC[C@]23CC[NH2+]C3)c2ccccc21 ZINC001217805349 1094498765 /nfs/dbraw/zinc/49/87/65/1094498765.db2.gz IBSLBBCRLZHCMF-QZTJIDSGSA-N 1 0 312.369 3.407 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCCC[NH2+]C2)ccc1C(F)(F)F ZINC001217970753 1094535554 /nfs/dbraw/zinc/53/55/54/1094535554.db2.gz ICALCILMLCLLHH-JTQLQIEISA-N 1 0 304.268 3.135 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217979585 1094539111 /nfs/dbraw/zinc/53/91/11/1094539111.db2.gz GXOZSYVVZVDTMK-MWLCHTKSSA-N 1 0 322.258 3.083 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001217985204 1094543974 /nfs/dbraw/zinc/54/39/74/1094543974.db2.gz IEWGZHRRMJQEKI-RNCFNFMXSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001217989716 1094545689 /nfs/dbraw/zinc/54/56/89/1094545689.db2.gz TYQROOMLNSXHNS-PRHODGIISA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001217990766 1094547026 /nfs/dbraw/zinc/54/70/26/1094547026.db2.gz WBSNYOWOKPOBKQ-JOYOIKCWSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CCC[NH2+]CC1 ZINC001217993656 1094548073 /nfs/dbraw/zinc/54/80/73/1094548073.db2.gz BBMVTFKCOQPCKT-SECBINFHSA-N 1 0 320.267 3.014 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1CC[NH2+]CC[C@@H]1F ZINC001218015768 1094561193 /nfs/dbraw/zinc/56/11/93/1094561193.db2.gz MZFHWJLRVAHAFD-ONGXEEELSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]CC[C@@H]2F)c(Cl)c1Cl ZINC001218018064 1094561770 /nfs/dbraw/zinc/56/17/70/1094561770.db2.gz LSOLYQZKYHYZIY-IONNQARKSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1CC[NH2+]CC[C@H]1F ZINC001218018148 1094563030 /nfs/dbraw/zinc/56/30/30/1094563030.db2.gz YROUTBUJAQTTSB-UKRRQHHQSA-N 1 0 304.321 3.217 20 5 DGBDRO Oc1c2ccccc2c(O[C@@H]2C[NH2+]CCOC2)c2ccccc12 ZINC001218046410 1094575582 /nfs/dbraw/zinc/57/55/82/1094575582.db2.gz VULGBWVSNUUFIQ-CYBMUJFWSA-N 1 0 309.365 3.066 20 5 DGBDRO C[C@@H]1C[C@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218055024 1094579233 /nfs/dbraw/zinc/57/92/33/1094579233.db2.gz GWGGEKUHXOCJNN-HTQZYQBOSA-N 1 0 305.161 3.421 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(OC3CC4(C[NH2+]C4)C3)c2)c1 ZINC001218057167 1094580174 /nfs/dbraw/zinc/58/01/74/1094580174.db2.gz YWJPCRFRFODBIF-UHFFFAOYSA-N 1 0 310.353 3.393 20 5 DGBDRO Oc1c2ccccc2c(O[C@@H]2COC3(C[NH2+]C3)C2)c2ccccc12 ZINC001218057258 1094580485 /nfs/dbraw/zinc/58/04/85/1094580485.db2.gz AKTZEGCZUVWUPX-ZDUSSCGKSA-N 1 0 321.376 3.208 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3CC[NH2+]C[C@H]3F)c2)c1 ZINC001218069340 1094585430 /nfs/dbraw/zinc/58/54/30/1094585430.db2.gz IAGIYZFJOWNXAU-SJORKVTESA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(O[C@@H]3CCC34CC[NH2+]CC4)sc2c1 ZINC001218083580 1094592349 /nfs/dbraw/zinc/59/23/49/1094592349.db2.gz SKESHIGDLUTIJX-CYBMUJFWSA-N 1 0 319.386 3.116 20 5 DGBDRO c1ccc2c(c1)nc(O[C@H]1CCOC3(C[NH2+]C3)C1)c1ccccc21 ZINC001218085838 1094593608 /nfs/dbraw/zinc/59/36/08/1094593608.db2.gz FOQTXZUXHKXAAG-AWEZNQCLSA-N 1 0 320.392 3.288 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218088803 1094594488 /nfs/dbraw/zinc/59/44/88/1094594488.db2.gz CISNBBFRPNCJQX-SJORKVTESA-N 1 0 318.373 3.099 20 5 DGBDRO Cc1cc(O[C@H]2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Cl ZINC001218097285 1094601811 /nfs/dbraw/zinc/60/18/11/1094601811.db2.gz SLOGFEYIJBRYKU-LSDHHAIUSA-N 1 0 310.781 3.468 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)cc2)cc1 ZINC001218145558 1094631482 /nfs/dbraw/zinc/63/14/82/1094631482.db2.gz HDPMHKIUKKEQEE-HWWDLCQESA-N 1 0 310.353 3.249 20 5 DGBDRO c1ccc2nc3cc(O[C@@H]4C[C@@H]5CC[NH2+][C@H]5C4)ccc3nc2c1 ZINC001218252725 1094682164 /nfs/dbraw/zinc/68/21/64/1094682164.db2.gz UUNWNVHYZDECCT-WRSAYESZSA-N 1 0 305.381 3.302 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@H]3C[C@H]4[NH2+]CC[C@H]4C3)nc2c1 ZINC001218251136 1094682565 /nfs/dbraw/zinc/68/25/65/1094682565.db2.gz QRRSEJPKDXECBD-OGHNNQOOSA-N 1 0 305.381 3.302 20 5 DGBDRO c1ccc2nc3cc(O[C@@H]4C[C@H]5CC[NH2+][C@H]5C4)ccc3nc2c1 ZINC001218252716 1094682607 /nfs/dbraw/zinc/68/26/07/1094682607.db2.gz UUNWNVHYZDECCT-DFHBCGBQSA-N 1 0 305.381 3.302 20 5 DGBDRO c1ccc2c(c1)ccc1c2ccnc1OC[C@H]1C[NH2+]CCCO1 ZINC001218301229 1094704004 /nfs/dbraw/zinc/70/40/04/1094704004.db2.gz ACWPCGZBZGTXJU-OAHLLOKOSA-N 1 0 308.381 3.145 20 5 DGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001218314148 1094711143 /nfs/dbraw/zinc/71/11/43/1094711143.db2.gz QQRFMIYTDYMBMD-LBPRGKRZSA-N 1 0 318.295 3.381 20 5 DGBDRO CC(C)(C)c1ccc(O[C@H]2C[NH2+]CCC23CC3)c([N+](=O)[O-])c1 ZINC001218399233 1094750512 /nfs/dbraw/zinc/75/05/12/1094750512.db2.gz LYJFODUNXFMZQL-HNNXBMFYSA-N 1 0 304.390 3.413 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc2c(c1)oc1ccccc1c2=O ZINC001218415734 1094763664 /nfs/dbraw/zinc/76/36/64/1094763664.db2.gz PWYGMCHFXLFFLS-BLLLJJGKSA-N 1 0 309.365 3.323 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3[C@@H]4CC[C@H]3[NH2+]C4)c2)c1 ZINC001218445154 1094778032 /nfs/dbraw/zinc/77/80/32/1094778032.db2.gz RFCLBUXKPIHQEF-ZTFGCOKTSA-N 1 0 310.353 3.391 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(Cl)c1Cl ZINC001218443942 1094778968 /nfs/dbraw/zinc/77/89/68/1094778968.db2.gz CTKVTKIBCIZPSB-NQYJQULFSA-N 1 0 303.145 3.031 20 5 DGBDRO FC1(F)CC[NH2+]C[C@@H]1Oc1cccc2nc3ccccc3nc21 ZINC001218446753 1094780377 /nfs/dbraw/zinc/78/03/77/1094780377.db2.gz FUMCVGHBKBZAIV-HNNXBMFYSA-N 1 0 315.323 3.159 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]Cc3ccccc32)c(F)cc1F ZINC001218487270 1094813733 /nfs/dbraw/zinc/81/37/33/1094813733.db2.gz SGIZFOXSZJUCJP-HNNXBMFYSA-N 1 0 306.268 3.096 20 5 DGBDRO CC[NH+](CC)C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001115983935 1095429885 /nfs/dbraw/zinc/42/98/85/1095429885.db2.gz FCCMUYAUWQDGGB-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO CCCN1CCCC[C@@H]1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC001116116091 1095458489 /nfs/dbraw/zinc/45/84/89/1095458489.db2.gz XFJVPOWYYJODBT-OAHLLOKOSA-N 1 0 324.352 3.042 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293144 1095507049 /nfs/dbraw/zinc/50/70/49/1095507049.db2.gz KMRXMAAHABXJKH-CABCVRRESA-N 1 0 305.422 3.286 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC001116478407 1095571427 /nfs/dbraw/zinc/57/14/27/1095571427.db2.gz HVOJMUXTYBFIKD-JLJPHGGASA-N 1 0 304.390 3.140 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncccc3[N+](=O)[O-])c2c1 ZINC001171168685 1095623724 /nfs/dbraw/zinc/62/37/24/1095623724.db2.gz VZZHVKZKIMYCAY-LBPRGKRZSA-N 1 0 310.357 3.132 20 5 DGBDRO CCOC(=O)C[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC001116695191 1095637439 /nfs/dbraw/zinc/63/74/39/1095637439.db2.gz UIAGPGISTREXJH-GTBONMDNSA-N 1 0 318.373 3.026 20 5 DGBDRO Cn1cc(-c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2)cn1 ZINC001339604455 1095671958 /nfs/dbraw/zinc/67/19/58/1095671958.db2.gz NXSILROQQUFSFT-UHFFFAOYSA-N 1 0 322.368 3.285 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H](C(C)C)[C@@H](C)[NH3+])n1 ZINC001117964963 1095911297 /nfs/dbraw/zinc/91/12/97/1095911297.db2.gz GEHJUOYZKSVRGX-RISCZKNCSA-N 1 0 318.377 3.348 20 5 DGBDRO C[C@H](C[N+](C)(C)C)OCCCCCCNC(=O)OC(C)(C)C ZINC001224563977 1096239733 /nfs/dbraw/zinc/23/97/33/1096239733.db2.gz KVCVYWZWWPIDCZ-OAHLLOKOSA-O 1 0 317.494 3.183 20 5 DGBDRO CC(C)CCOC(=O)[C@H](OCC[N+](C)(C)C)c1ccccc1 ZINC001224776485 1096282679 /nfs/dbraw/zinc/28/26/79/1096282679.db2.gz WGPVRRQNRCAHHX-QGZVFWFLSA-N 1 0 308.442 3.040 20 5 DGBDRO C[N+](C)(C)CCO[C@@H](C(=O)c1ccsc1)c1ccsc1 ZINC001224775517 1096282755 /nfs/dbraw/zinc/28/27/55/1096282755.db2.gz LXYAUYIAVPIBET-OAHLLOKOSA-N 1 0 310.464 3.456 20 5 DGBDRO COc1ccc(COCC[N+](C)(C)C)cc1OC1CCCC1 ZINC001224771627 1096282787 /nfs/dbraw/zinc/28/27/87/1096282787.db2.gz PNSJRYURCNFDOX-UHFFFAOYSA-N 1 0 308.442 3.239 20 5 DGBDRO CC(=O)c1cc(O[C@@H](C)C[N+](C)(C)C)ccc1Br ZINC001225455461 1096435776 /nfs/dbraw/zinc/43/57/76/1096435776.db2.gz KHQQBQGANCMHMC-JTQLQIEISA-N 1 0 315.231 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001225574581 1096470731 /nfs/dbraw/zinc/47/07/31/1096470731.db2.gz FOEQPUFLKBYIKD-HNNXBMFYSA-N 1 0 316.332 3.387 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1cccnc1[N+](=O)[O-])c1cccs1 ZINC001225628587 1096489082 /nfs/dbraw/zinc/48/90/82/1096489082.db2.gz POMLUHUYMLWORF-NSHDSACASA-N 1 0 307.375 3.123 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225778002 1096527688 /nfs/dbraw/zinc/52/76/88/1096527688.db2.gz FVBWBDGTCJHDPN-JTQLQIEISA-N 1 0 300.305 3.125 20 5 DGBDRO O=[N+]([O-])c1cccc(OC2CCN(c3cc[nH+]cc3)CC2)c1F ZINC001225796325 1096532602 /nfs/dbraw/zinc/53/26/02/1096532602.db2.gz JWZRYOICIZOCJO-UHFFFAOYSA-N 1 0 317.320 3.177 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC001226188839 1096633058 /nfs/dbraw/zinc/63/30/58/1096633058.db2.gz GMAGYEJOFQHIIR-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001226311758 1096659692 /nfs/dbraw/zinc/65/96/92/1096659692.db2.gz VNXNVZMCENACTM-LLVKDONJSA-N 1 0 318.295 3.477 20 5 DGBDRO CC(C)(C)c1ccc(O[C@H]2CCc3nccn3C2)c([N+](=O)[O-])c1 ZINC001226445653 1096691407 /nfs/dbraw/zinc/69/14/07/1096691407.db2.gz FIXTZSGOPMLBBW-ZDUSSCGKSA-N 1 0 315.373 3.483 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Br)c2occc21 ZINC001226577009 1096725259 /nfs/dbraw/zinc/72/52/59/1096725259.db2.gz BDLDICSWDIWNJY-VIFPVBQESA-N 1 0 314.203 3.064 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC001226708633 1096756717 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COc1ccc(C(=O)CC(C)C)cc1O[C@H](C)C[N+](C)(C)C ZINC001228144490 1097060958 /nfs/dbraw/zinc/06/09/58/1097060958.db2.gz FPBDPHSPMBCVDT-CQSZACIVSA-N 1 0 308.442 3.398 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(C(=O)c2ccccc2)ccc1O ZINC001228155281 1097064246 /nfs/dbraw/zinc/06/42/46/1097064246.db2.gz RITBDVHVQMCGTK-AWEZNQCLSA-O 1 0 314.405 3.097 20 5 DGBDRO COC(=O)Nc1cccc2ccc(O[C@H](C)C[N+](C)(C)C)cc21 ZINC001228172245 1097067875 /nfs/dbraw/zinc/06/78/75/1097067875.db2.gz CQCCVSAOXSWETJ-CYBMUJFWSA-O 1 0 317.409 3.492 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)ccc1C(=O)c1ccccc1 ZINC001228185190 1097070517 /nfs/dbraw/zinc/07/05/17/1097070517.db2.gz GIARERDULSAQQO-AWEZNQCLSA-O 1 0 314.405 3.097 20 5 DGBDRO O=[N+]([O-])c1ccncc1O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001228879075 1097209921 /nfs/dbraw/zinc/20/99/21/1097209921.db2.gz BNHPAYSQUQFFRW-HNNXBMFYSA-N 1 0 313.357 3.033 20 5 DGBDRO C[C@@]1(O)CC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172896989 1097266390 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3.001 20 5 DGBDRO C[C@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172905047 1097269324 /nfs/dbraw/zinc/26/93/24/1097269324.db2.gz QIOGERXBNWTCRA-BBRMVZONSA-N 1 0 316.401 3.143 20 5 DGBDRO C[N@H+](CC1CCOCC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908762 1097270380 /nfs/dbraw/zinc/27/03/80/1097270380.db2.gz NXRODKIEGTWKLJ-KRWDZBQOSA-N 1 0 318.417 3.201 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001229178275 1097271910 /nfs/dbraw/zinc/27/19/10/1097271910.db2.gz UHNYIOFZFBKKCY-DABQJJPHSA-N 1 0 318.373 3.192 20 5 DGBDRO COC[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)C ZINC001172895608 1097278343 /nfs/dbraw/zinc/27/83/43/1097278343.db2.gz GAVSWYHGQVHNLL-NVXWUHKLSA-N 1 0 306.406 3.103 20 5 DGBDRO CCCO[C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917843 1097280176 /nfs/dbraw/zinc/28/01/76/1097280176.db2.gz XLPIKBQGTPGQJC-AEFFLSMTSA-N 1 0 318.417 3.343 20 5 DGBDRO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172912448 1097291488 /nfs/dbraw/zinc/29/14/88/1097291488.db2.gz AAVYJFHOARMLEL-AEFFLSMTSA-N 1 0 318.417 3.199 20 5 DGBDRO CCOC1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172911771 1097292298 /nfs/dbraw/zinc/29/22/98/1097292298.db2.gz VLXUWLADLJBXSC-INIZCTEOSA-N 1 0 318.417 3.343 20 5 DGBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)n(-c2ccc(C)c(C)c2)n1 ZINC001229332619 1097297324 /nfs/dbraw/zinc/29/73/24/1097297324.db2.gz BIRQQDQYOJMULI-INIZCTEOSA-N 1 0 302.442 3.271 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229344263 1097301363 /nfs/dbraw/zinc/30/13/63/1097301363.db2.gz VBJUGXGQEDEJGF-CQSZACIVSA-N 1 0 301.346 3.006 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])cc3cccnc32)CC1 ZINC001229343870 1097301536 /nfs/dbraw/zinc/30/15/36/1097301536.db2.gz JLXCWQCNVUGZES-CTYIDZIISA-N 1 0 315.373 3.395 20 5 DGBDRO COC(=O)c1cc(Cl)cc(Cl)c1O[C@@H](C)C[N+](C)(C)C ZINC001229374876 1097309013 /nfs/dbraw/zinc/30/90/13/1097309013.db2.gz UHYPSABMUPXDHJ-VIFPVBQESA-N 1 0 321.224 3.254 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC(F)(F)F)c1F ZINC001173175499 1097355935 /nfs/dbraw/zinc/35/59/35/1097355935.db2.gz OOPQPCTZXWAIJG-MRVPVSSYSA-N 1 0 324.274 3.216 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)c1F ZINC001173175658 1097356244 /nfs/dbraw/zinc/35/62/44/1097356244.db2.gz CFRMTKUSOXWKCB-HBNTYKKESA-N 1 0 314.332 3.154 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(F)CC2)c1F ZINC001173182887 1097357203 /nfs/dbraw/zinc/35/72/03/1097357203.db2.gz VNMSIXNTSVZGSV-JTQLQIEISA-N 1 0 314.332 3.107 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](C[NH3+])c2ccccc21 ZINC001173216645 1097368903 /nfs/dbraw/zinc/36/89/03/1097368903.db2.gz DSVZKAFGHQKOSC-HIFRSBDPSA-N 1 0 311.385 3.088 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccncc1Cl ZINC001173217924 1097368910 /nfs/dbraw/zinc/36/89/10/1097368910.db2.gz HQYSOFMYUOCZKI-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001173218159 1097369220 /nfs/dbraw/zinc/36/92/20/1097369220.db2.gz OOYSBGFMUNECFU-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO CC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001173218075 1097369500 /nfs/dbraw/zinc/36/95/00/1097369500.db2.gz OEOMYUXPJMVFBE-FZKQIMNGSA-N 1 0 312.369 3.446 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@](C)(CO)c1ccccc1 ZINC001173219490 1097370173 /nfs/dbraw/zinc/37/01/73/1097370173.db2.gz CIZBYWVUJWEOQW-KBXCAEBGSA-N 1 0 314.385 3.023 20 5 DGBDRO Cc1ccc(C(=O)C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173220089 1097371263 /nfs/dbraw/zinc/37/12/63/1097371263.db2.gz TVGNXPNGPLMWEW-AWEZNQCLSA-N 1 0 312.369 3.307 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCC2)CC1 ZINC001173225304 1097374244 /nfs/dbraw/zinc/37/42/44/1097374244.db2.gz JHAVCLOASIWJML-HNNXBMFYSA-N 1 0 317.433 3.086 20 5 DGBDRO CC(C)n1cncc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226165 1097375347 /nfs/dbraw/zinc/37/53/47/1097375347.db2.gz VOMIDHOESPKHAX-ZDUSSCGKSA-N 1 0 302.378 3.093 20 5 DGBDRO CC(C)OC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173228822 1097376020 /nfs/dbraw/zinc/37/60/20/1097376020.db2.gz ZBDOYRTYIMBXMS-CQSZACIVSA-N 1 0 306.406 3.415 20 5 DGBDRO COc1ccc(N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1C[NH3+] ZINC001173230180 1097376312 /nfs/dbraw/zinc/37/63/12/1097376312.db2.gz RNIFJRNXVJQTKA-GFCCVEGCSA-N 1 0 315.373 3.105 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001173227240 1097376327 /nfs/dbraw/zinc/37/63/27/1097376327.db2.gz OUGWOLORIGFELN-YOEHRIQHSA-N 1 0 311.385 3.410 20 5 DGBDRO Cc1nc2c(s1)C[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173227241 1097376538 /nfs/dbraw/zinc/37/65/38/1097376538.db2.gz OWFUJCOQNFXSNK-LLVKDONJSA-N 1 0 317.414 3.349 20 5 DGBDRO CC[N@H+](CCN1CCCCC1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231345 1097377079 /nfs/dbraw/zinc/37/70/79/1097377079.db2.gz BQGGQFRNLOPQBD-INIZCTEOSA-N 1 0 319.449 3.334 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1cccc(F)c1 ZINC001173235388 1097378561 /nfs/dbraw/zinc/37/85/61/1097378561.db2.gz SLQLHIXQJVNMSW-CYBMUJFWSA-N 1 0 318.348 3.334 20 5 DGBDRO Cc1cccc2ncc(C[NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)n21 ZINC001173212249 1097381920 /nfs/dbraw/zinc/38/19/20/1097381920.db2.gz YKZTZODBBPJJIN-CYBMUJFWSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H](O)c1ccccc1 ZINC001173214637 1097382213 /nfs/dbraw/zinc/38/22/13/1097382213.db2.gz DATBZMAWIRHHHD-KDOFPFPSSA-N 1 0 314.385 3.239 20 5 DGBDRO CC[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229832021 1097395501 /nfs/dbraw/zinc/39/55/01/1097395501.db2.gz PGCUCEBHIHMJAN-LLVKDONJSA-N 1 0 304.268 3.087 20 5 DGBDRO COCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(C)c2C)CC1 ZINC001229880504 1097404450 /nfs/dbraw/zinc/40/44/50/1097404450.db2.gz GAJCHDMNIDFERT-UHFFFAOYSA-N 1 0 322.405 3.091 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Br)cc2cccnc21 ZINC001230246438 1097463950 /nfs/dbraw/zinc/46/39/50/1097463950.db2.gz YABSFBAUFHWPBM-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1c2occc2cc2ccc(=O)oc21 ZINC001230255642 1097465289 /nfs/dbraw/zinc/46/52/89/1097465289.db2.gz LDFOYBDCDQMQSJ-LLVKDONJSA-N 1 0 302.350 3.013 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1c2occc2cc2ccc(=O)oc21 ZINC001230255643 1097465502 /nfs/dbraw/zinc/46/55/02/1097465502.db2.gz LDFOYBDCDQMQSJ-NSHDSACASA-N 1 0 302.350 3.013 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001230727823 1097567508 /nfs/dbraw/zinc/56/75/08/1097567508.db2.gz FQSVLGLKMLVBJT-XOIINTDNSA-N 1 0 304.390 3.321 20 5 DGBDRO CC[NH+]1CCC(Oc2ccc3nc4ccc(=O)cc-4oc3c2)CC1 ZINC001231331805 1097723548 /nfs/dbraw/zinc/72/35/48/1097723548.db2.gz KVGMXVYQUOOFOB-UHFFFAOYSA-N 1 0 324.380 3.156 20 5 DGBDRO Cc1cc(Nc2cc3nc4ccccc4nc3cc2N)cc[nH+]1 ZINC001174655489 1097804165 /nfs/dbraw/zinc/80/41/65/1097804165.db2.gz IBMGDMGLFAPBPJ-UHFFFAOYSA-N 1 0 301.353 3.234 20 5 DGBDRO O=[N+]([O-])c1cccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1 ZINC001174992714 1097905599 /nfs/dbraw/zinc/90/55/99/1097905599.db2.gz ACHIQRXKNHGEJD-OALUTQOASA-N 1 0 323.396 3.054 20 5 DGBDRO C[N@H+](Cc1ccc2ccc3cccnc3c2n1)C1CCOCC1 ZINC001232218252 1097969734 /nfs/dbraw/zinc/96/97/34/1097969734.db2.gz DUFHPDIKIUNSBH-UHFFFAOYSA-N 1 0 307.397 3.394 20 5 DGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219427 1097971211 /nfs/dbraw/zinc/97/12/11/1097971211.db2.gz CLHQBNAPAGSGHY-LSDHHAIUSA-N 1 0 320.440 3.307 20 5 DGBDRO FC[C@H]1[C@@H]2C[N@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@H]12 ZINC001232224219 1097973672 /nfs/dbraw/zinc/97/36/72/1097973672.db2.gz FUMHMNLFEMUSMA-OSYLJGHBSA-N 1 0 307.372 3.430 20 5 DGBDRO CC[N@H+](Cc1ccc2ccc3cccnc3c2n1)CC(C)(C)O ZINC001232222276 1097973683 /nfs/dbraw/zinc/97/36/83/1097973683.db2.gz ADBYUHBXRCGSLK-UHFFFAOYSA-N 1 0 309.413 3.376 20 5 DGBDRO C[N@H+](Cc1ccc2ccc3cccnc3c2n1)[C@@H]1CCCOC1 ZINC001232228287 1097974641 /nfs/dbraw/zinc/97/46/41/1097974641.db2.gz NWMVKMOZGJQPPM-QGZVFWFLSA-N 1 0 307.397 3.394 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(Nc2c[nH+]ccc2N2CCCC2)c1 ZINC001175735099 1098148592 /nfs/dbraw/zinc/14/85/92/1098148592.db2.gz INEPVRUBBYRTQT-UHFFFAOYSA-N 1 0 302.309 3.473 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC001176086212 1098245569 /nfs/dbraw/zinc/24/55/69/1098245569.db2.gz FNEHOXIONMLJTR-QFBILLFUSA-N 1 0 324.380 3.247 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233777490 1098429236 /nfs/dbraw/zinc/42/92/36/1098429236.db2.gz CMNOGBMBGLOMMY-GFCCVEGCSA-N 1 0 301.346 3.005 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233787665 1098431716 /nfs/dbraw/zinc/43/17/16/1098431716.db2.gz YYHXQYIQLRLYOX-LBPRGKRZSA-N 1 0 301.346 3.006 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001233837560 1098440136 /nfs/dbraw/zinc/44/01/36/1098440136.db2.gz ZQTRDFBWPFWRMV-WDNDVIMCSA-N 1 0 313.357 3.147 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001233835881 1098440221 /nfs/dbraw/zinc/44/02/21/1098440221.db2.gz FRCNCQZSWFDGIG-ZDUSSCGKSA-N 1 0 301.346 3.006 20 5 DGBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001233892215 1098450831 /nfs/dbraw/zinc/45/08/31/1098450831.db2.gz WCIVAEFHEWCMCR-SNVBAGLBSA-N 1 0 315.231 3.125 20 5 DGBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001176926513 1098451452 /nfs/dbraw/zinc/45/14/52/1098451452.db2.gz KBVWOWYDVPUMHL-YOEHRIQHSA-N 1 0 320.389 3.137 20 5 DGBDRO Cc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC001177683351 1098577811 /nfs/dbraw/zinc/57/78/11/1098577811.db2.gz BEXQRLDIOJPVHN-UHFFFAOYSA-N 1 0 304.321 3.211 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCSCC1 ZINC001177795530 1098616846 /nfs/dbraw/zinc/61/68/46/1098616846.db2.gz UYUNGWVPKYHZOC-UHFFFAOYSA-N 1 0 310.419 3.226 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234675969 1098643193 /nfs/dbraw/zinc/64/31/93/1098643193.db2.gz GWQDCMWTZCAUOY-GFCCVEGCSA-N 1 0 301.346 3.006 20 5 DGBDRO CCOC(=O)CCc1ccc(O[C@@H](C)C[N+](C)(C)C)c(C)c1C ZINC001234830823 1098674401 /nfs/dbraw/zinc/67/44/01/1098674401.db2.gz QVBDFAUKNDTEGM-AWEZNQCLSA-N 1 0 322.469 3.273 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001178696985 1098913895 /nfs/dbraw/zinc/91/38/95/1098913895.db2.gz RCJNYZYCKFCQQP-INIZCTEOSA-N 1 0 320.396 3.206 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](CO)CC2CCCCC2)cc1[N+](=O)[O-] ZINC001178986781 1098990513 /nfs/dbraw/zinc/99/05/13/1098990513.db2.gz QZJGMQKRDJARQZ-MRXNPFEDSA-N 1 0 306.406 3.324 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)cccc1[N+](=O)[O-] ZINC001179593135 1099141913 /nfs/dbraw/zinc/14/19/13/1099141913.db2.gz NZIQAVFEXHGHIT-HNNXBMFYSA-N 1 0 304.390 3.342 20 5 DGBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001179646673 1099153157 /nfs/dbraw/zinc/15/31/57/1099153157.db2.gz UORROGVZAWZJGI-NHYWBVRUSA-N 1 0 318.398 3.448 20 5 DGBDRO CCC[C@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CC[NH2+]1 ZINC001236179129 1099449676 /nfs/dbraw/zinc/44/96/76/1099449676.db2.gz RBOZASCTAYWLGK-KRWDZBQOSA-N 1 0 320.440 3.357 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)C(C)C ZINC001190604521 1100305206 /nfs/dbraw/zinc/30/52/06/1100305206.db2.gz FTTRMCALNKIQKP-CYBMUJFWSA-N 1 0 307.394 3.290 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC(C)(C)O1 ZINC001193742373 1100796675 /nfs/dbraw/zinc/79/66/75/1100796675.db2.gz AZJSEFOWMOGOGC-MRXNPFEDSA-N 1 0 306.406 3.417 20 5 DGBDRO CCS[C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001194194389 1100891579 /nfs/dbraw/zinc/89/15/79/1100891579.db2.gz ZZAWVKWISUJQDT-DOMZBBRYSA-N 1 0 310.419 3.237 20 5 DGBDRO Cc1c(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001194962941 1101046063 /nfs/dbraw/zinc/04/60/63/1101046063.db2.gz HIJXKBVTYFBXSE-GFCCVEGCSA-N 1 0 322.405 3.313 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOCC12CCCC2 ZINC001198755429 1101976940 /nfs/dbraw/zinc/97/69/40/1101976940.db2.gz YRLFNUGYTYDIGN-INIZCTEOSA-N 1 0 320.389 3.042 20 5 DGBDRO CCOc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC001202227037 1102897617 /nfs/dbraw/zinc/89/76/17/1102897617.db2.gz JOYZLBJHCNCZTQ-UHFFFAOYSA-N 1 0 300.358 3.326 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@H]2C[C@H](O)C2)o1 ZINC001327210640 1103584549 /nfs/dbraw/zinc/58/45/49/1103584549.db2.gz RQJJKOZMLUKYNH-XYPYZODXSA-N 1 0 322.748 3.121 20 5 DGBDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC001329744924 1104377356 /nfs/dbraw/zinc/37/73/56/1104377356.db2.gz GQPKYDNXTRDXQX-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC1CCOCC1 ZINC001330314926 1104537846 /nfs/dbraw/zinc/53/78/46/1104537846.db2.gz GVALYTAPTYERDN-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO C[C@H](N[C@H]1CCCC[C@@H]1[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC001330696636 1104622113 /nfs/dbraw/zinc/62/21/13/1104622113.db2.gz FEEYEZSMOYSMIP-UBHSHLNASA-N 1 0 309.385 3.257 20 5 DGBDRO C[C@H](N[C@H]1CCCC[C@H]1[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC001330696628 1104622182 /nfs/dbraw/zinc/62/21/82/1104622182.db2.gz FEEYEZSMOYSMIP-FPMFFAJLSA-N 1 0 309.385 3.257 20 5 DGBDRO Cc1ccc(-c2nc3ccccc3n2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001247051236 1104787366 /nfs/dbraw/zinc/78/73/66/1104787366.db2.gz XSLMJKYLGIEGAE-CYBMUJFWSA-N 1 0 322.368 3.454 20 5 DGBDRO CC(C)(C[NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247625123 1104941316 /nfs/dbraw/zinc/94/13/16/1104941316.db2.gz QMRWSLPZUIHKIJ-UHFFFAOYSA-N 1 0 319.368 3.069 20 5 DGBDRO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC001326518459 1105003483 /nfs/dbraw/zinc/00/34/83/1105003483.db2.gz UTSYFXQMXQZGOE-UHFFFAOYSA-N 1 0 313.785 3.307 20 5 DGBDRO COc1ccc(Nc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC001248475086 1105117316 /nfs/dbraw/zinc/11/73/16/1105117316.db2.gz OCICSLJYVKRBTP-UHFFFAOYSA-N 1 0 301.346 3.409 20 5 DGBDRO C[NH+](C)Cc1ccc2[nH]c(-c3cccc(F)c3[N+](=O)[O-])nc2c1 ZINC001251783678 1105695659 /nfs/dbraw/zinc/69/56/59/1105695659.db2.gz QIWGQMFZXRVWRP-UHFFFAOYSA-N 1 0 314.320 3.339 20 5 DGBDRO Cc1cccc2ncc(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])n21 ZINC001254532211 1106095726 /nfs/dbraw/zinc/09/57/26/1106095726.db2.gz KQDUNYNKAUBNAE-ZDUSSCGKSA-N 1 0 324.384 3.272 20 5 DGBDRO Cc1cc(C)c(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC001254531381 1106096956 /nfs/dbraw/zinc/09/69/56/1106096956.db2.gz FIUBKGVLHVNHPC-LBPRGKRZSA-N 1 0 315.373 3.033 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc2ccccc2o1 ZINC001254534276 1106097007 /nfs/dbraw/zinc/09/70/07/1106097007.db2.gz VGZLZPPDMXTVPE-LBPRGKRZSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)c1ccccc1 ZINC001254536516 1106097851 /nfs/dbraw/zinc/09/78/51/1106097851.db2.gz PSZITXWWNDZIAU-HNNXBMFYSA-N 1 0 313.401 3.252 20 5 DGBDRO CC(=O)[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001254537886 1106098178 /nfs/dbraw/zinc/09/81/78/1106098178.db2.gz JGWZZOQEDBKUCJ-ACJLOTCBSA-N 1 0 312.369 3.446 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cnc2ccc(C[NH3+])cc21 ZINC001254539349 1106098673 /nfs/dbraw/zinc/09/86/73/1106098673.db2.gz HHSSGTBXMKQJKP-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH3+])c2ccccc21 ZINC001254541035 1106099654 /nfs/dbraw/zinc/09/96/54/1106099654.db2.gz YLVHDMASLVJSEP-CZUORRHYSA-N 1 0 311.385 3.436 20 5 DGBDRO CCOc1ccnc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254543653 1106100015 /nfs/dbraw/zinc/10/00/15/1106100015.db2.gz FRAZRGWLNWPRSW-CYBMUJFWSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cnc2ccccn12 ZINC001254553308 1106102728 /nfs/dbraw/zinc/10/27/28/1106102728.db2.gz USSLMJMEPGOMSG-AWEZNQCLSA-N 1 0 324.384 3.306 20 5 DGBDRO CCCCC[NH+]1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563628 1106104045 /nfs/dbraw/zinc/10/40/45/1106104045.db2.gz ZTAJUIWUUHFTLK-INIZCTEOSA-N 1 0 319.449 3.334 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001254560109 1106104089 /nfs/dbraw/zinc/10/40/89/1106104089.db2.gz PEVSUSLSECXMDO-DZGCQCFKSA-N 1 0 314.389 3.062 20 5 DGBDRO CCN(CC[NH+](CC)CC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563626 1106104106 /nfs/dbraw/zinc/10/41/06/1106104106.db2.gz ZRJLBUNBKWTADD-HNNXBMFYSA-N 1 0 307.438 3.190 20 5 DGBDRO CC(C)[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC001254571643 1106105954 /nfs/dbraw/zinc/10/59/54/1106105954.db2.gz ZPIQHVFNRUQZKP-HNNXBMFYSA-N 1 0 319.449 3.330 20 5 DGBDRO COc1cccc2c1CC[C@@H]2[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579390 1106107552 /nfs/dbraw/zinc/10/75/52/1106107552.db2.gz RJGJOVMIEIPIBA-KSSFIOAISA-N 1 0 324.380 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCc3c1cccc3F)C2 ZINC001254578067 1106107617 /nfs/dbraw/zinc/10/76/17/1106107617.db2.gz IVUOSRGHOZGDNI-ACJLOTCBSA-N 1 0 312.344 3.478 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)C2 ZINC001254580187 1106108203 /nfs/dbraw/zinc/10/82/03/1106108203.db2.gz ZSQHRDTVHSQFDK-YJBOKZPZSA-N 1 0 309.369 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1C3CC4CC(C3)CC1C4)C2 ZINC001254581781 1106108524 /nfs/dbraw/zinc/10/85/24/1106108524.db2.gz MPHBKCCARFJQMZ-DKXUFDTHSA-N 1 0 312.413 3.476 20 5 DGBDRO Cc1ccc(C2(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)nc1 ZINC001254585735 1106108906 /nfs/dbraw/zinc/10/89/06/1106108906.db2.gz FMFMJWUDWPFXOB-INIZCTEOSA-N 1 0 323.396 3.087 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc3cnccc31)C2 ZINC001254588474 1106108997 /nfs/dbraw/zinc/10/89/97/1106108997.db2.gz ZITUSVZDRLEZQX-QGZVFWFLSA-N 1 0 319.364 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C2 ZINC001254585250 1106109196 /nfs/dbraw/zinc/10/91/96/1106109196.db2.gz CIOFDRWKAOVARF-SMDDNHRTSA-N 1 0 310.344 3.477 20 5 DGBDRO COc1ccc(C2([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)cc1 ZINC001254585696 1106109203 /nfs/dbraw/zinc/10/92/03/1106109203.db2.gz NBCCCOSKIJRJJJ-MRXNPFEDSA-N 1 0 324.380 3.350 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCc3sccc31)C2 ZINC001254588848 1106109261 /nfs/dbraw/zinc/10/92/61/1106109261.db2.gz IZSHMUIEFAOFMP-WFASDCNBSA-N 1 0 300.383 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C2 ZINC001254585249 1106109265 /nfs/dbraw/zinc/10/92/65/1106109265.db2.gz CIOFDRWKAOVARF-RISCZKNCSA-N 1 0 310.344 3.477 20 5 DGBDRO Cc1csc([C@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254585326 1106109295 /nfs/dbraw/zinc/10/92/95/1106109295.db2.gz VKFSVVLLMAWHEK-GXFFZTMASA-N 1 0 303.387 3.178 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc3cccnc31)C2 ZINC001254589463 1106109950 /nfs/dbraw/zinc/10/99/50/1106109950.db2.gz PCJIKSFKLXGALB-KRWDZBQOSA-N 1 0 319.364 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3CC[C@@H](C1)C3(F)F)C2 ZINC001254592453 1106110054 /nfs/dbraw/zinc/11/00/54/1106110054.db2.gz DIQQOZZTYFLPIC-VNHYZAJKSA-N 1 0 308.328 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(c3ccccn3)CC1)C2 ZINC001254599004 1106110814 /nfs/dbraw/zinc/11/08/14/1106110814.db2.gz JETWWBVEFHXGDJ-SFHVURJKSA-N 1 0 323.396 3.337 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(C(F)(F)F)CC1)C2 ZINC001254595742 1106110868 /nfs/dbraw/zinc/11/08/68/1106110868.db2.gz ZBHQJEHAXKAOBW-AWEZNQCLSA-N 1 0 314.307 3.336 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H]1Cc1ccccn1)C2 ZINC001254597966 1106110949 /nfs/dbraw/zinc/11/09/49/1106110949.db2.gz FMJQAHUIANFBOL-HKUYNNGSSA-N 1 0 323.396 3.164 20 5 DGBDRO C[N@H+](CC/C=C/c1cccnc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605922 1106112554 /nfs/dbraw/zinc/11/25/54/1106112554.db2.gz CQYYVWMGVRLULC-KPUAHBEZSA-N 1 0 323.396 3.492 20 5 DGBDRO CCCC[N@H+](C)CC1CCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001320589303 1107063860 /nfs/dbraw/zinc/06/38/60/1107063860.db2.gz KFGYVPHBGNOHID-UHFFFAOYSA-N 1 0 320.437 3.247 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC001262060076 1107599527 /nfs/dbraw/zinc/59/95/27/1107599527.db2.gz POIUJVXIUZGZEL-ZDUSSCGKSA-N 1 0 312.373 3.039 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001262372722 1107701605 /nfs/dbraw/zinc/70/16/05/1107701605.db2.gz ZXTSDJSWUNPZGE-UHFFFAOYSA-N 1 0 312.373 3.015 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)C1(C)C ZINC001324244578 1108221122 /nfs/dbraw/zinc/22/11/22/1108221122.db2.gz IXXICYKVVNZPNH-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001324990900 1108552584 /nfs/dbraw/zinc/55/25/84/1108552584.db2.gz UOCHCYBKHQWYFL-KBPBESRZSA-N 1 0 314.389 3.414 20 5 DGBDRO COc1cc(N[C@H]2CCCC[C@H]2[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC001319690776 1108594682 /nfs/dbraw/zinc/59/46/82/1108594682.db2.gz GUFWFVLHBMVULM-WCQYABFASA-N 1 0 311.357 3.027 20 5 DGBDRO CCC(CC)[NH2+]CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001307155136 1111272454 /nfs/dbraw/zinc/27/24/54/1111272454.db2.gz HTGGLCDSYIDQMU-UHFFFAOYSA-N 1 0 308.407 3.395 20 5 DGBDRO CN(CC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC001307227301 1111281663 /nfs/dbraw/zinc/28/16/63/1111281663.db2.gz FJVQPNAZUPLCHQ-UHFFFAOYSA-N 1 0 316.405 3.167 20 5 DGBDRO C[C@@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C ZINC001307488538 1111305733 /nfs/dbraw/zinc/30/57/33/1111305733.db2.gz CODXKGLXMGMLPB-NXEZZACHSA-N 1 0 313.195 3.445 20 5 DGBDRO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC001307703582 1111330084 /nfs/dbraw/zinc/33/00/84/1111330084.db2.gz VUTNWVXNXLGLBQ-JHJVBQTASA-N 1 0 305.378 3.042 20 5 DGBDRO C[C@@](CO)([NH2+]C[C@H]1CC2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC001307999965 1111364393 /nfs/dbraw/zinc/36/43/93/1111364393.db2.gz QANXBBIECLMICV-HNFMNYKYSA-N 1 0 318.417 3.218 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC001308049801 1111371698 /nfs/dbraw/zinc/37/16/98/1111371698.db2.gz MIOLVNHXYYYAKS-ZIAGYGMSSA-N 1 0 320.389 3.321 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccccc1[N+](=O)[O-] ZINC001308509210 1111436265 /nfs/dbraw/zinc/43/62/65/1111436265.db2.gz GVPPUBUFENTJAM-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC001308547814 1111441576 /nfs/dbraw/zinc/44/15/76/1111441576.db2.gz SCQRYPUYSKHXFJ-JIMOISOXSA-N 1 0 312.316 3.474 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001308637618 1111454466 /nfs/dbraw/zinc/45/44/66/1111454466.db2.gz OBHVFTBLECCKTG-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CC(C)(C)C[NH+](C)C ZINC001308970081 1111502404 /nfs/dbraw/zinc/50/24/04/1111502404.db2.gz BLGFYSBPENDWRO-UHFFFAOYSA-N 1 0 307.438 3.231 20 5 DGBDRO CC[N@H+](C)[C@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001308986852 1111506134 /nfs/dbraw/zinc/50/61/34/1111506134.db2.gz IHHPXRUBUYHZBB-SHRNQRGKSA-N 1 0 303.406 3.024 20 5 DGBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000078998501 185144167 /nfs/dbraw/zinc/14/41/67/185144167.db2.gz HHFKNMIYXGHITH-CYBMUJFWSA-N 1 0 300.358 3.411 20 5 DGBDRO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272850709 210246437 /nfs/dbraw/zinc/24/64/37/210246437.db2.gz HHJPDOPRWCAIFU-QWHCGFSZSA-N 1 0 304.394 3.055 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000318419703 231169136 /nfs/dbraw/zinc/16/91/36/231169136.db2.gz KFYWERMFJZIUDY-NUEKZKHPSA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000318512324 231171841 /nfs/dbraw/zinc/17/18/41/231171841.db2.gz YHJZKVSZDFBIDP-IIAWOOMASA-N 1 0 324.808 3.374 20 5 DGBDRO Cc1nc2ccccn2c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000321567843 231203668 /nfs/dbraw/zinc/20/36/68/231203668.db2.gz GQBYFHVHJHCYDZ-GFCCVEGCSA-N 1 0 310.357 3.402 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000296610426 529534390 /nfs/dbraw/zinc/53/43/90/529534390.db2.gz WGVWKXFTQNMKON-RDBSUJKOSA-N 1 0 324.446 3.216 20 5 DGBDRO CC[C@@]1(CO)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000428475850 529551093 /nfs/dbraw/zinc/55/10/93/529551093.db2.gz WUNCEYOPVKRTQJ-CTEOGUNLSA-N 1 0 304.390 3.093 20 5 DGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000411496074 529595355 /nfs/dbraw/zinc/59/53/55/529595355.db2.gz XAJNXNMCRUVNQQ-AWEZNQCLSA-N 1 0 307.394 3.338 20 5 DGBDRO CCc1ccccc1[C@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1F ZINC000415073044 529616847 /nfs/dbraw/zinc/61/68/47/529616847.db2.gz YWCGTWFXJKDVJS-QGZVFWFLSA-N 1 0 317.364 3.086 20 5 DGBDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090519564 185299939 /nfs/dbraw/zinc/29/99/39/185299939.db2.gz VDZQXSZDALKQEN-GUYCJALGSA-N 1 0 300.358 3.287 20 5 DGBDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000090528879 185300646 /nfs/dbraw/zinc/30/06/46/185300646.db2.gz GXUGIYIDQANVAK-WCQYABFASA-N 1 0 302.378 3.217 20 5 DGBDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000090529656 185300700 /nfs/dbraw/zinc/30/07/00/185300700.db2.gz PNSAYXWCRWNKRU-GXFFZTMASA-N 1 0 302.378 3.217 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000181427886 199295873 /nfs/dbraw/zinc/29/58/73/199295873.db2.gz LSGGKXQQZHEXIV-BDJLRTHQSA-N 1 0 302.378 3.298 20 5 DGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000278134673 213981168 /nfs/dbraw/zinc/98/11/68/213981168.db2.gz MXKDGVIIBNWBHF-CQSZACIVSA-N 1 0 321.421 3.144 20 5 DGBDRO CC(C)C[C@H](CO)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129871070 432009538 /nfs/dbraw/zinc/00/95/38/432009538.db2.gz PSDWTIJVJIESRF-OIISXLGYSA-N 1 0 320.433 3.303 20 5 DGBDRO COC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181686608 199338350 /nfs/dbraw/zinc/33/83/50/199338350.db2.gz SOIXXOPEAKHBOX-KRWDZBQOSA-N 1 0 300.358 3.115 20 5 DGBDRO C[NH2+]CCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000415139973 529964564 /nfs/dbraw/zinc/96/45/64/529964564.db2.gz YJVMMPMRTFUDKJ-UHFFFAOYSA-N 1 0 319.430 3.365 20 5 DGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1Cc2ccccc2C1 ZINC000444589509 530022824 /nfs/dbraw/zinc/02/28/24/530022824.db2.gz BIXNOZOHZUBIJO-UHFFFAOYSA-N 1 0 322.368 3.070 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000181976205 199369613 /nfs/dbraw/zinc/36/96/13/199369613.db2.gz PXHWHWBGJBVKTL-ZUZCIYMTSA-N 1 0 322.311 3.257 20 5 DGBDRO CC[C@H](COC)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130259503 432019423 /nfs/dbraw/zinc/01/94/23/432019423.db2.gz LFLRRZFJOUJYFR-FVQBIDKESA-N 1 0 306.406 3.321 20 5 DGBDRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000150737618 186061197 /nfs/dbraw/zinc/06/11/97/186061197.db2.gz WTRAYNQQKFQAOQ-CQSZACIVSA-N 1 0 319.405 3.212 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000191867757 186266979 /nfs/dbraw/zinc/26/69/79/186266979.db2.gz ZREZRDWVMZPXGN-SWLSCSKDSA-N 1 0 319.405 3.399 20 5 DGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1(O)CCCC1 ZINC000449736471 535149128 /nfs/dbraw/zinc/14/91/28/535149128.db2.gz MTBFJTIFTYZHSM-UHFFFAOYSA-N 1 0 310.369 3.155 20 5 DGBDRO Cc1c(C[N@@H+]2CCCC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000265978047 186346104 /nfs/dbraw/zinc/34/61/04/186346104.db2.gz ALWQGRGZOVSVSP-UHFFFAOYSA-N 1 0 304.390 3.296 20 5 DGBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000130611281 432027405 /nfs/dbraw/zinc/02/74/05/432027405.db2.gz JNUTTWYHKIMWER-HNNXBMFYSA-N 1 0 300.362 3.272 20 5 DGBDRO CC(C)[NH2+]C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172178668 198052579 /nfs/dbraw/zinc/05/25/79/198052579.db2.gz UGFNPVSHKDXRLY-UHFFFAOYSA-N 1 0 311.813 3.211 20 5 DGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCC1 ZINC000172173872 198052875 /nfs/dbraw/zinc/05/28/75/198052875.db2.gz RIDROPKITYWVAD-NSHDSACASA-N 1 0 306.362 3.130 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000182057751 199380574 /nfs/dbraw/zinc/38/05/74/199380574.db2.gz BGKNALAAZWHZPR-NSHDSACASA-N 1 0 310.781 3.249 20 5 DGBDRO CC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000174023941 198282731 /nfs/dbraw/zinc/28/27/31/198282731.db2.gz NYJROGLNGZBAJF-INIZCTEOSA-N 1 0 302.378 3.186 20 5 DGBDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174862553 198394218 /nfs/dbraw/zinc/39/42/18/198394218.db2.gz NAUQOEBXMXEIBC-GFCCVEGCSA-N 1 0 312.797 3.497 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)OC(C)(C)C ZINC000163575127 432036731 /nfs/dbraw/zinc/03/67/31/432036731.db2.gz BQAOBYSMOJERCI-GFCCVEGCSA-N 1 0 308.378 3.286 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000165302087 432054457 /nfs/dbraw/zinc/05/44/57/432054457.db2.gz MLBCKPXSZKHDMQ-HIFRSBDPSA-N 1 0 305.422 3.286 20 5 DGBDRO COC[C@@H](C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000179369286 432055451 /nfs/dbraw/zinc/05/54/51/432055451.db2.gz NUQOQVDHWDDICY-GFCCVEGCSA-N 1 0 304.346 3.322 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000132902301 432055979 /nfs/dbraw/zinc/05/59/79/432055979.db2.gz DFJFGYBALBNDHB-LBPRGKRZSA-N 1 0 323.393 3.079 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000237250333 202205515 /nfs/dbraw/zinc/20/55/15/202205515.db2.gz YZWMUTAZXDAFDV-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO CC[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178200778 198831326 /nfs/dbraw/zinc/83/13/26/198831326.db2.gz DYFOMVDEACVRDC-MRXNPFEDSA-N 1 0 319.405 3.038 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)CCO)cc1[N+](=O)[O-] ZINC000179430136 199033900 /nfs/dbraw/zinc/03/39/00/199033900.db2.gz XAAXOJKEIZEJIU-LBPRGKRZSA-N 1 0 310.394 3.053 20 5 DGBDRO CC(C)[NH+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000180454743 199160855 /nfs/dbraw/zinc/16/08/55/199160855.db2.gz PYWALUPZVGSCOJ-UHFFFAOYSA-N 1 0 304.350 3.264 20 5 DGBDRO CCOC(CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OCC ZINC000276573435 212971852 /nfs/dbraw/zinc/97/18/52/212971852.db2.gz UKNCQWHWFPCGQX-ZDUSSCGKSA-N 1 0 310.394 3.343 20 5 DGBDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000134467754 432077661 /nfs/dbraw/zinc/07/76/61/432077661.db2.gz ZYLJKSHIXMKNGQ-KRWDZBQOSA-N 1 0 318.373 3.496 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C2CCOCC2)c2ccccc2)c1 ZINC000180170724 432080423 /nfs/dbraw/zinc/08/04/23/432080423.db2.gz ZZICRARYUXXCHM-GOSISDBHSA-N 1 0 312.369 3.453 20 5 DGBDRO CS[C@H]1CCCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000134588118 432080964 /nfs/dbraw/zinc/08/09/64/432080964.db2.gz NWBYEDJNYZLYMZ-ZDUSSCGKSA-N 1 0 310.419 3.191 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2CCSCC2)c1 ZINC000134610020 432081503 /nfs/dbraw/zinc/08/15/03/432081503.db2.gz DWSFCQLMPZRFJQ-UHFFFAOYSA-N 1 0 300.811 3.481 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CCOCC1)CCCC2 ZINC000417347521 237612053 /nfs/dbraw/zinc/61/20/53/237612053.db2.gz XIOAQIMPBXWLMZ-KRWDZBQOSA-N 1 0 304.390 3.379 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1CC(OCC)C1 ZINC000188789360 200303514 /nfs/dbraw/zinc/30/35/14/200303514.db2.gz UOSBPQGLMHATHX-UHFFFAOYSA-N 1 0 322.405 3.288 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)o2)cc1 ZINC000426468143 237973225 /nfs/dbraw/zinc/97/32/25/237973225.db2.gz FBGDYVIXTZCLQE-SMDDNHRTSA-N 1 0 314.345 3.019 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CSC)C1 ZINC000429291652 238046813 /nfs/dbraw/zinc/04/68/13/238046813.db2.gz HFBUYXVFNKQTBV-LBPRGKRZSA-N 1 0 310.419 3.178 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+](C1CCC1)C1CCC1 ZINC000429117587 238040515 /nfs/dbraw/zinc/04/05/15/238040515.db2.gz QLEMWJWNXCQEAX-UHFFFAOYSA-N 1 0 317.389 3.249 20 5 DGBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429568702 238055337 /nfs/dbraw/zinc/05/53/37/238055337.db2.gz OWKPTSUTFMEHRX-DGCLKSJQSA-N 1 0 316.361 3.265 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC(C)(C)CC1 ZINC000430227883 238071653 /nfs/dbraw/zinc/07/16/53/238071653.db2.gz CMOXKLRRUBHHHL-UHFFFAOYSA-N 1 0 310.419 3.321 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[C@@H](C)C1 ZINC000430244334 238072352 /nfs/dbraw/zinc/07/23/52/238072352.db2.gz PBKKYTHMEFOIKK-UKRRQHHQSA-N 1 0 322.405 3.240 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[C@H](C)C1 ZINC000430244335 238072670 /nfs/dbraw/zinc/07/26/70/238072670.db2.gz PBKKYTHMEFOIKK-ZFWWWQNUSA-N 1 0 322.405 3.240 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433788514 238167739 /nfs/dbraw/zinc/16/77/39/238167739.db2.gz GXLDADPTPKXYOV-GFCCVEGCSA-N 1 0 310.785 3.072 20 5 DGBDRO COC(=O)C1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000192445692 200879163 /nfs/dbraw/zinc/87/91/63/200879163.db2.gz LDAWRJPTLNAYQP-DNOWBOINSA-N 1 0 320.389 3.286 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000271892457 209300747 /nfs/dbraw/zinc/30/07/47/209300747.db2.gz SGQAOYSBRYPGPV-ARFHVFGLSA-N 1 0 302.374 3.032 20 5 DGBDRO C[C@](O)(CC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000189837749 432095998 /nfs/dbraw/zinc/09/59/98/432095998.db2.gz GYAFEWRIPXPZNO-HNNXBMFYSA-N 1 0 306.387 3.044 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)CCC2 ZINC000193319101 201027617 /nfs/dbraw/zinc/02/76/17/201027617.db2.gz YQHMBQSDNUWXKG-XYPHTWIQSA-N 1 0 304.390 3.113 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000194036175 201167029 /nfs/dbraw/zinc/16/70/29/201167029.db2.gz BEQLNGSPNIGSKN-OSAQELSMSA-N 1 0 319.405 3.256 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000194401504 201218321 /nfs/dbraw/zinc/21/83/21/201218321.db2.gz DLNSRLYHKNSDTL-LLVKDONJSA-N 1 0 300.314 3.174 20 5 DGBDRO CCO[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000194467927 201233057 /nfs/dbraw/zinc/23/30/57/201233057.db2.gz AZNOWFJLUFNMGD-QGZVFWFLSA-N 1 0 300.358 3.462 20 5 DGBDRO Cc1c(C[N@H+]2CCC[C@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000292897861 223298464 /nfs/dbraw/zinc/29/84/64/223298464.db2.gz AGWTUQDVGRWZSG-KRWDZBQOSA-N 1 0 306.406 3.134 20 5 DGBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH+](C2CC2)CC1 ZINC000195308312 201377995 /nfs/dbraw/zinc/37/79/95/201377995.db2.gz FXPZUFGXDIRVAN-UHFFFAOYSA-N 1 0 323.780 3.061 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000245921742 202551318 /nfs/dbraw/zinc/55/13/18/202551318.db2.gz XVKDPWICGXAJOQ-PBKGOJFUSA-N 1 0 319.405 3.256 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc(F)cc1 ZINC000449072947 240004337 /nfs/dbraw/zinc/00/43/37/240004337.db2.gz QYIPUACGLWLKGW-ZDUSSCGKSA-N 1 0 318.348 3.334 20 5 DGBDRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000273257035 299348580 /nfs/dbraw/zinc/34/85/80/299348580.db2.gz HOSYAHPPKBVLQT-WFASDCNBSA-N 1 0 319.405 3.070 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)N1CCC(C)CC1 ZINC000449106959 240019359 /nfs/dbraw/zinc/01/93/59/240019359.db2.gz NYIMXTILQQGFLL-HZPDHXFCSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N1CCC(C)CC1 ZINC000449106958 240019611 /nfs/dbraw/zinc/01/96/11/240019611.db2.gz NYIMXTILQQGFLL-HOTGVXAUSA-N 1 0 319.449 3.236 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccnn2C2CCCC2)cc1 ZINC000449132698 240030826 /nfs/dbraw/zinc/03/08/26/240030826.db2.gz VTXAKYURNIBXQP-UHFFFAOYSA-N 1 0 314.389 3.239 20 5 DGBDRO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449133400 240033268 /nfs/dbraw/zinc/03/32/68/240033268.db2.gz YHTMOISIRQVIAU-ZBFHGGJFSA-N 1 0 307.438 3.092 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1ccc(O)cc1 ZINC000449146091 240039404 /nfs/dbraw/zinc/03/94/04/240039404.db2.gz ZVOXXMNRZRRTEW-CQSZACIVSA-N 1 0 314.385 3.454 20 5 DGBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449160000 240044872 /nfs/dbraw/zinc/04/48/72/240044872.db2.gz KFCANFAPCNCAPB-VXGBXAGGSA-N 1 0 317.389 3.351 20 5 DGBDRO Cc1nc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])sc1C ZINC000449166442 240048753 /nfs/dbraw/zinc/04/87/53/240048753.db2.gz CXJBMCAGEFWDOC-SNVBAGLBSA-N 1 0 305.403 3.389 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)COC2 ZINC000449188026 240058709 /nfs/dbraw/zinc/05/87/09/240058709.db2.gz FPFWDGRRKJWVDF-CYBMUJFWSA-N 1 0 312.369 3.346 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000449197169 240061356 /nfs/dbraw/zinc/06/13/56/240061356.db2.gz UUDLFAXBGQBNOE-RVKKMQEKSA-N 1 0 320.433 3.447 20 5 DGBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449201123 240064353 /nfs/dbraw/zinc/06/43/53/240064353.db2.gz DCMCLDLUXHHBON-CZUORRHYSA-N 1 0 308.422 3.159 20 5 DGBDRO Cc1cccn2cc(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])nc12 ZINC000449221842 240075561 /nfs/dbraw/zinc/07/55/61/240075561.db2.gz HKNPRLCDVJEBJK-CQSZACIVSA-N 1 0 324.384 3.272 20 5 DGBDRO COc1ccc(F)cc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449260566 240096730 /nfs/dbraw/zinc/09/67/30/240096730.db2.gz WTRYWSJZANCXCW-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO CCOC1CC(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449280137 240105738 /nfs/dbraw/zinc/10/57/38/240105738.db2.gz VXKJCAHAXHGXHY-HLIUYOAVSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000449285818 240111511 /nfs/dbraw/zinc/11/15/11/240111511.db2.gz SVMXIHKVRVUYIN-RHSMWYFYSA-N 1 0 317.433 3.132 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CCC(C)(C)C ZINC000449301250 240118844 /nfs/dbraw/zinc/11/88/44/240118844.db2.gz RBUBXOBTXWQNBM-DZGCQCFKSA-N 1 0 308.422 3.303 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)CC1CCCC1 ZINC000449305135 240120402 /nfs/dbraw/zinc/12/04/02/240120402.db2.gz REHVFSUUBTYUHS-GOEBONIOSA-N 1 0 320.433 3.304 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000449245923 240087237 /nfs/dbraw/zinc/08/72/37/240087237.db2.gz CUQMNYHCMWQVIV-HUUCEWRRSA-N 1 0 320.433 3.304 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000449245921 240087803 /nfs/dbraw/zinc/08/78/03/240087803.db2.gz CUQMNYHCMWQVIV-GJZGRUSLSA-N 1 0 320.433 3.304 20 5 DGBDRO COC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000449248810 240090620 /nfs/dbraw/zinc/09/06/20/240090620.db2.gz KKYHHLICYFVCQS-AWEZNQCLSA-N 1 0 306.406 3.465 20 5 DGBDRO CCCN(CC)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449337286 240140578 /nfs/dbraw/zinc/14/05/78/240140578.db2.gz PIGHKEJIWOWOEL-CABCVRRESA-N 1 0 307.438 3.236 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC1CCOCC1 ZINC000449354745 240153272 /nfs/dbraw/zinc/15/32/72/240153272.db2.gz QYALJFSVXBHQTO-AWEZNQCLSA-N 1 0 306.406 3.322 20 5 DGBDRO Cc1ncsc1CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449468580 240225429 /nfs/dbraw/zinc/22/54/29/240225429.db2.gz PVUNVPCOGWYVON-XQRVVYSFSA-N 1 0 303.387 3.205 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000449474008 240228995 /nfs/dbraw/zinc/22/89/95/240228995.db2.gz RHDOMGQRRTZGBH-KVKHNDOQSA-N 1 0 316.401 3.233 20 5 DGBDRO CC(C)[C@@H](CO)[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449515400 240261480 /nfs/dbraw/zinc/26/14/80/240261480.db2.gz YZUGCPUXXAOCAL-KYJSFNMBSA-N 1 0 322.449 3.405 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000449528046 240268267 /nfs/dbraw/zinc/26/82/67/240268267.db2.gz MUZOPDROPLSWGG-LLCTXKFZSA-N 1 0 304.415 3.435 20 5 DGBDRO CC(C)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000449556704 240287208 /nfs/dbraw/zinc/28/72/08/240287208.db2.gz NPLJATGZOXSRCZ-MQVJKMGUSA-N 1 0 317.433 3.433 20 5 DGBDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449562308 240289316 /nfs/dbraw/zinc/28/93/16/240289316.db2.gz IYFBIKNVCOKSBD-KBPBESRZSA-N 1 0 316.405 3.483 20 5 DGBDRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449562309 240289331 /nfs/dbraw/zinc/28/93/31/240289331.db2.gz IYFBIKNVCOKSBD-KGLIPLIRSA-N 1 0 316.405 3.483 20 5 DGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449637034 240336835 /nfs/dbraw/zinc/33/68/35/240336835.db2.gz FVGCGHZRRVCYDN-MBGYTDRXSA-N 1 0 320.433 3.445 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000449738544 240392518 /nfs/dbraw/zinc/39/25/18/240392518.db2.gz CRGRZNXLNZEIRY-QILLFSRXSA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543761 241163918 /nfs/dbraw/zinc/16/39/18/241163918.db2.gz CQNMWXIVIFNJGI-DZGCQCFKSA-N 1 0 312.373 3.325 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451616014 241191573 /nfs/dbraw/zinc/19/15/73/241191573.db2.gz QPXVTCGGSMADIP-CZUORRHYSA-N 1 0 324.808 3.135 20 5 DGBDRO CCC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000451442948 241126721 /nfs/dbraw/zinc/12/67/21/241126721.db2.gz XSAANMVNGFHLDP-AWEZNQCLSA-N 1 0 307.394 3.338 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451696115 241208196 /nfs/dbraw/zinc/20/81/96/241208196.db2.gz FTFINYPTJRZMDV-JHJVBQTASA-N 1 0 324.808 3.231 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451696299 241208219 /nfs/dbraw/zinc/20/82/19/241208219.db2.gz PHHOTXOSFRRAPA-APIJFGDWSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451696306 241208271 /nfs/dbraw/zinc/20/82/71/241208271.db2.gz PHHOTXOSFRRAPA-TUVASFSCSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451696304 241208974 /nfs/dbraw/zinc/20/89/74/241208974.db2.gz PHHOTXOSFRRAPA-KBXIAJHMSA-N 1 0 304.390 3.139 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451696117 241209475 /nfs/dbraw/zinc/20/94/75/241209475.db2.gz FTFINYPTJRZMDV-UPJWGTAASA-N 1 0 324.808 3.231 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451706210 241214054 /nfs/dbraw/zinc/21/40/54/241214054.db2.gz LTWYLHWPNWBKCR-LALPHHSUSA-N 1 0 324.808 3.231 20 5 DGBDRO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000451967726 241287224 /nfs/dbraw/zinc/28/72/24/241287224.db2.gz HLNSKTXYSBFCRA-HNNXBMFYSA-N 1 0 318.352 3.076 20 5 DGBDRO CCC[C@@H](C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)OC ZINC000453241008 241686690 /nfs/dbraw/zinc/68/66/90/241686690.db2.gz CVSTYXKAYUJRTH-OCCSQVGLSA-N 1 0 310.394 3.459 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453585802 241828114 /nfs/dbraw/zinc/82/81/14/241828114.db2.gz UHQHLPGNGMYMKJ-CYBMUJFWSA-N 1 0 322.405 3.288 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000455182799 242129354 /nfs/dbraw/zinc/12/93/54/242129354.db2.gz KABMRCAHAJHKGA-UHFFFAOYSA-N 1 0 322.409 3.145 20 5 DGBDRO COC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090717081 283994787 /nfs/dbraw/zinc/99/47/87/283994787.db2.gz ZANUNPBNSLYXHR-OIISXLGYSA-N 1 0 318.417 3.321 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000122316727 299383863 /nfs/dbraw/zinc/38/38/63/299383863.db2.gz POGXCMGZWYJDCP-XHDPSFHLSA-N 1 0 300.362 3.057 20 5 DGBDRO Cc1cc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461951659 243627403 /nfs/dbraw/zinc/62/74/03/243627403.db2.gz XTDJTRLTYHTBMJ-AWEZNQCLSA-N 1 0 321.396 3.355 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1CCOCC1 ZINC000468551268 244052993 /nfs/dbraw/zinc/05/29/93/244052993.db2.gz CUXWZLBNRYTGHH-AWEZNQCLSA-N 1 0 306.406 3.322 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000468620373 244057176 /nfs/dbraw/zinc/05/71/76/244057176.db2.gz SIHZQMHXSNHCIV-AFYSSFTJSA-N 1 0 304.390 3.403 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC[C@H](C)C1 ZINC000468636379 244057271 /nfs/dbraw/zinc/05/72/71/244057271.db2.gz AGBKSCZSGKCWQN-CNYBTUBUSA-N 1 0 317.433 3.320 20 5 DGBDRO CCC(CC)[C@H](O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468655122 244059733 /nfs/dbraw/zinc/05/97/33/244059733.db2.gz GZVUDAFAVRITHM-JZUUQJBKSA-N 1 0 306.406 3.385 20 5 DGBDRO CCOC(=O)C[C@@H](C)[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470206581 244160207 /nfs/dbraw/zinc/16/02/07/244160207.db2.gz RZPFNOPOHJTVTQ-KADHNRKRSA-N 1 0 320.389 3.272 20 5 DGBDRO CCOC(=O)C[C@H](C)[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470206584 244160219 /nfs/dbraw/zinc/16/02/19/244160219.db2.gz RZPFNOPOHJTVTQ-XXYUJHKVSA-N 1 0 320.389 3.272 20 5 DGBDRO C[C@H](c1cccnc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000093227915 193219247 /nfs/dbraw/zinc/21/92/47/193219247.db2.gz DMBPODGTYYPHSR-CYBMUJFWSA-N 1 0 301.346 3.062 20 5 DGBDRO C[C@H](SCC[NH+](C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120221564 284163480 /nfs/dbraw/zinc/16/34/80/284163480.db2.gz VZHHTMGOXLJLGT-JTQLQIEISA-N 1 0 322.390 3.001 20 5 DGBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093813787 193311409 /nfs/dbraw/zinc/31/14/09/193311409.db2.gz TZBODUQEEXEPDC-QGZVFWFLSA-N 1 0 320.389 3.103 20 5 DGBDRO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000487965742 245130686 /nfs/dbraw/zinc/13/06/86/245130686.db2.gz URODLFBCPWPYAB-SWLSCSKDSA-N 1 0 310.369 3.371 20 5 DGBDRO Cc1cccn2cc(C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])nc12 ZINC000123986644 284250748 /nfs/dbraw/zinc/25/07/48/284250748.db2.gz GRHYYRBBRFPECH-XBXARRHUSA-N 1 0 322.368 3.354 20 5 DGBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264965488 204308022 /nfs/dbraw/zinc/30/80/22/204308022.db2.gz PGDVOZAGCPVGKH-PWSUYJOCSA-N 1 0 303.387 3.464 20 5 DGBDRO CO[C@@H](C)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264990846 204328280 /nfs/dbraw/zinc/32/82/80/204328280.db2.gz XCIIVXWGQVNJHP-NSHDSACASA-N 1 0 321.402 3.233 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)cccc1[N+](=O)[O-] ZINC000271737802 209169415 /nfs/dbraw/zinc/16/94/15/209169415.db2.gz PURVZYCUFMBOHJ-KGLIPLIRSA-N 1 0 320.389 3.240 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1F ZINC000282484169 217031176 /nfs/dbraw/zinc/03/11/76/217031176.db2.gz LYAMYYGZRNNRRJ-HNNXBMFYSA-N 1 0 308.353 3.173 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCC2 ZINC000266157168 205143996 /nfs/dbraw/zinc/14/39/96/205143996.db2.gz MMJFGMAMDUOYPY-CVEARBPZSA-N 1 0 320.389 3.041 20 5 DGBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000282936386 217336584 /nfs/dbraw/zinc/33/65/84/217336584.db2.gz IJASDERXLKILGC-KEDPEKRHSA-N 1 0 312.373 3.009 20 5 DGBDRO Cc1cc(N2CCS[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181501728 432131218 /nfs/dbraw/zinc/13/12/18/432131218.db2.gz YDCJUCWSSYDKDP-LLVKDONJSA-N 1 0 303.387 3.393 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000267255957 205929534 /nfs/dbraw/zinc/92/95/34/205929534.db2.gz JHJJCUZZUBOWBR-KBPBESRZSA-N 1 0 307.394 3.026 20 5 DGBDRO Cc1c([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000268779167 432133008 /nfs/dbraw/zinc/13/30/08/432133008.db2.gz PFFGSZGFPMNMKF-YSVLISHTSA-N 1 0 303.406 3.181 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000493654437 246034173 /nfs/dbraw/zinc/03/41/73/246034173.db2.gz ISOPKONAQGLCCV-ZDUSSCGKSA-N 1 0 323.824 3.308 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000494655257 246176775 /nfs/dbraw/zinc/17/67/75/246176775.db2.gz PWYGCUCGHXTFAQ-QGZVFWFLSA-N 1 0 304.390 3.028 20 5 DGBDRO CCc1ccc([C@H](CNc2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000022806448 182335676 /nfs/dbraw/zinc/33/56/76/182335676.db2.gz GCFDFULONHSUHH-INIZCTEOSA-N 1 0 314.389 3.267 20 5 DGBDRO CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000023991629 182371239 /nfs/dbraw/zinc/37/12/39/182371239.db2.gz GEKAQNRADJBURB-JTQLQIEISA-N 1 0 313.785 3.307 20 5 DGBDRO O=[N+]([O-])c1ccccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000025833088 182423970 /nfs/dbraw/zinc/42/39/70/182423970.db2.gz HYYDJRHDSXVUMJ-HNNXBMFYSA-N 1 0 301.346 3.437 20 5 DGBDRO CC[C@H]([NH2+]CCCC(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000268798602 432137405 /nfs/dbraw/zinc/13/74/05/432137405.db2.gz GSKFJRMSKYYGBV-INIZCTEOSA-N 1 0 321.421 3.284 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000246543962 432142078 /nfs/dbraw/zinc/14/20/78/432142078.db2.gz DCQLHJHJGMOKDA-DZGCQCFKSA-N 1 0 322.405 3.117 20 5 DGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000276394438 284590156 /nfs/dbraw/zinc/59/01/56/284590156.db2.gz GAHSATKRFSSDEU-UHFFFAOYSA-N 1 0 321.421 3.097 20 5 DGBDRO [NH3+]C1(c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)CCCC1 ZINC000041153205 183178484 /nfs/dbraw/zinc/17/84/84/183178484.db2.gz ONCQSBSGSPJLSI-UHFFFAOYSA-N 1 0 308.725 3.026 20 5 DGBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1Br ZINC000043596420 183374458 /nfs/dbraw/zinc/37/44/58/183374458.db2.gz HZCVHQFWGHIVMT-UHFFFAOYSA-N 1 0 316.199 3.111 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284870348 218215255 /nfs/dbraw/zinc/21/52/55/218215255.db2.gz AYMQCYGRMIHGAW-VHSXEESVSA-N 1 0 306.391 3.088 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000106468644 194218986 /nfs/dbraw/zinc/21/89/86/194218986.db2.gz HXFPGBZGXPTURB-UHFFFAOYSA-N 1 0 311.341 3.375 20 5 DGBDRO CCc1noc(C)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285241018 218347506 /nfs/dbraw/zinc/34/75/06/218347506.db2.gz GQBTWEXFCHZZCD-UHFFFAOYSA-N 1 0 303.362 3.128 20 5 DGBDRO Cc1nc(C)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285262295 218357876 /nfs/dbraw/zinc/35/78/76/218357876.db2.gz HYDJQLAUUCFPPL-UHFFFAOYSA-N 1 0 305.403 3.343 20 5 DGBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285266025 218358471 /nfs/dbraw/zinc/35/84/71/218358471.db2.gz QPDASYWDOHSVPQ-VHSXEESVSA-N 1 0 318.377 3.236 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000268846041 207012884 /nfs/dbraw/zinc/01/28/84/207012884.db2.gz VLWZIQVTAQVDJM-WFASDCNBSA-N 1 0 314.389 3.365 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1ccco1 ZINC000268869587 207039305 /nfs/dbraw/zinc/03/93/05/207039305.db2.gz HFUICPHBGVMEQB-CXAGYDPISA-N 1 0 318.373 3.006 20 5 DGBDRO C[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000062071140 184204505 /nfs/dbraw/zinc/20/45/05/184204505.db2.gz MMIUMHSDEJBRJP-GFCCVEGCSA-N 1 0 311.813 3.070 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000063481994 184283068 /nfs/dbraw/zinc/28/30/68/184283068.db2.gz DMAPLEROKLBBMB-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCCC1 ZINC000064021380 184291397 /nfs/dbraw/zinc/29/13/97/184291397.db2.gz UTLUXIOPLSGNBV-UHFFFAOYSA-N 1 0 306.362 3.083 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000336865964 253013528 /nfs/dbraw/zinc/01/35/28/253013528.db2.gz VMFYQSIEAGRYCB-CVEARBPZSA-N 1 0 304.390 3.341 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000336984228 253031120 /nfs/dbraw/zinc/03/11/20/253031120.db2.gz HFRMKRFJEXQCJS-WCFLWFBJSA-N 1 0 305.378 3.008 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000337457596 253119799 /nfs/dbraw/zinc/11/97/99/253119799.db2.gz IOZPZJIRIOKHFW-CYBMUJFWSA-N 1 0 319.405 3.434 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1ccnc1C ZINC000337948381 253198331 /nfs/dbraw/zinc/19/83/31/253198331.db2.gz DQXORHROVULMBB-KAMYIIQDSA-N 1 0 314.389 3.183 20 5 DGBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000337951782 253199638 /nfs/dbraw/zinc/19/96/38/253199638.db2.gz LSJFCDJSDRDCCO-FVOPLDGLSA-N 1 0 301.321 3.493 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCC(O)CC3)o2)cc1 ZINC000338188046 253239046 /nfs/dbraw/zinc/23/90/46/253239046.db2.gz YHRBHQYNCBAFPY-UHFFFAOYSA-N 1 0 316.357 3.248 20 5 DGBDRO O=[N+]([O-])c1c(NCCC[NH+]2CCCCC2)ccc2ncccc21 ZINC000338337662 253267927 /nfs/dbraw/zinc/26/79/27/253267927.db2.gz ANJSVHGZPKEWQM-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000425377295 285112106 /nfs/dbraw/zinc/11/21/06/285112106.db2.gz ZRRAGMIKQRGATL-KRWDZBQOSA-N 1 0 316.401 3.376 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000296047593 285117058 /nfs/dbraw/zinc/11/70/58/285117058.db2.gz FOHJVPVXXYNUAK-CFVMTHIKSA-N 1 0 322.792 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000272963814 210349691 /nfs/dbraw/zinc/34/96/91/210349691.db2.gz NYBIRSPFGJFTJB-LBPRGKRZSA-N 1 0 320.780 3.351 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(O)CCCCCC1 ZINC000255224876 285138846 /nfs/dbraw/zinc/13/88/46/285138846.db2.gz OLLASIGMJNPDTC-CLFYSBASSA-N 1 0 304.390 3.283 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@]3(CCOC3)C1)CCC2 ZINC000453357971 285144012 /nfs/dbraw/zinc/14/40/12/285144012.db2.gz JNBXEWVHYLWSSG-ROUUACIJSA-N 1 0 316.401 3.475 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C3CC3)C1)CCCC2 ZINC000417300302 285145058 /nfs/dbraw/zinc/14/50/58/285145058.db2.gz AKNVZWOVAGWSJV-RDTXWAMCSA-N 1 0 315.417 3.189 20 5 DGBDRO C[NH+](C)CC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000341174500 253758066 /nfs/dbraw/zinc/75/80/66/253758066.db2.gz KRJDTYLTJGLCBR-UHFFFAOYSA-N 1 0 311.813 3.022 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)c2ccccc2Cl)cc1 ZINC000342289553 253959630 /nfs/dbraw/zinc/95/96/30/253959630.db2.gz CMADADBIPDKFEU-CYBMUJFWSA-N 1 0 320.776 3.114 20 5 DGBDRO Cc1nc2cc(CSc3ccc([N+](=O)[O-])cn3)ccc2[nH]1 ZINC000342654504 254026125 /nfs/dbraw/zinc/02/61/25/254026125.db2.gz IMZFPXQFGGMIFE-UHFFFAOYSA-N 1 0 300.343 3.467 20 5 DGBDRO CC[C@@H](C)[NH2+][C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000343257871 254121249 /nfs/dbraw/zinc/12/12/49/254121249.db2.gz ZSLRTLZXTCYGNL-DGCLKSJQSA-N 1 0 304.350 3.124 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]2c2ccco2)n1 ZINC000414335309 285169803 /nfs/dbraw/zinc/16/98/03/285169803.db2.gz CAHSVSRSKWHALG-SYQHCUMBSA-N 1 0 316.361 3.014 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344066161 254220290 /nfs/dbraw/zinc/22/02/90/254220290.db2.gz PTDZOSRBZPCUCG-CHWSQXEVSA-N 1 0 319.405 3.290 20 5 DGBDRO CCCc1csc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1 ZINC000344071357 254220948 /nfs/dbraw/zinc/22/09/48/254220948.db2.gz VRTXDMIUJMWQMI-UHFFFAOYSA-N 1 0 305.403 3.336 20 5 DGBDRO CC[C@@]1(C)CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344293925 254252535 /nfs/dbraw/zinc/25/25/35/254252535.db2.gz YWRDKEMURMVGJK-KRWDZBQOSA-N 1 0 319.405 3.354 20 5 DGBDRO CC[C@@]1(C)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000344206822 254239292 /nfs/dbraw/zinc/23/92/92/254239292.db2.gz ALXKSRPXKJMBDL-INIZCTEOSA-N 1 0 316.361 3.267 20 5 DGBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CCCC(F)(F)C1)CC2 ZINC000338302861 285184321 /nfs/dbraw/zinc/18/43/21/285184321.db2.gz UVSMKUULTJVZLZ-LLVKDONJSA-N 1 0 311.332 3.173 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCCC2)c2ccccc2)cn1 ZINC000344411296 254267501 /nfs/dbraw/zinc/26/75/01/254267501.db2.gz CEAGWBXFAWBIJD-MRXNPFEDSA-N 1 0 312.373 3.239 20 5 DGBDRO CC(C)(C)OC(=O)CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000344711751 254298555 /nfs/dbraw/zinc/29/85/55/254298555.db2.gz IFZWYIUNDHIRGU-RMKNXTFCSA-N 1 0 320.389 3.320 20 5 DGBDRO COc1ncccc1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344799046 254306739 /nfs/dbraw/zinc/30/67/39/254306739.db2.gz YTANLXKSVSDSHX-UKTHLTGXSA-N 1 0 313.357 3.192 20 5 DGBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000344802846 254306952 /nfs/dbraw/zinc/30/69/52/254306952.db2.gz ZFJRLBGFPABXSX-UHFFFAOYSA-N 1 0 319.327 3.392 20 5 DGBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+]CCc1c[nH]c2ncccc12 ZINC000344831064 254309212 /nfs/dbraw/zinc/30/92/12/254309212.db2.gz AUTGSDZVWPUWOW-UTCJRWHESA-N 1 0 322.368 3.317 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1c(C)noc1C ZINC000344842545 254309921 /nfs/dbraw/zinc/30/99/21/254309921.db2.gz GPRXZECJSRAYJL-YRNVUSSQSA-N 1 0 301.346 3.393 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000430214802 533137084 /nfs/dbraw/zinc/13/70/84/533137084.db2.gz BKHFAEBQZHNXCY-KRWDZBQOSA-N 1 0 322.405 3.024 20 5 DGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000345523194 254372133 /nfs/dbraw/zinc/37/21/33/254372133.db2.gz SQAZMMVXEXEZGW-INIZCTEOSA-N 1 0 321.421 3.081 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160655171 292819128 /nfs/dbraw/zinc/81/91/28/292819128.db2.gz MHBOBGPCRWGTCG-LXZKKBNFSA-N 1 0 306.406 3.057 20 5 DGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000120749535 195230654 /nfs/dbraw/zinc/23/06/54/195230654.db2.gz MGIHXLQYOBZNAI-UHFFFAOYSA-N 1 0 321.421 3.097 20 5 DGBDRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000289633059 221116784 /nfs/dbraw/zinc/11/67/84/221116784.db2.gz XBLQEBHEUVHUPN-ZDUSSCGKSA-N 1 0 322.405 3.095 20 5 DGBDRO Cc1c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289640700 221122260 /nfs/dbraw/zinc/12/22/60/221122260.db2.gz FPSCPIVXNWOSHF-HZPDHXFCSA-N 1 0 304.390 3.293 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])OCCc2sccc21 ZINC000289866918 221280528 /nfs/dbraw/zinc/28/05/28/221280528.db2.gz QUZKGOMWQJXQET-INIZCTEOSA-N 1 0 318.398 3.234 20 5 DGBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289976962 221355773 /nfs/dbraw/zinc/35/57/73/221355773.db2.gz ZKFPDPCIENQXPS-MNOVXSKESA-N 1 0 321.402 3.231 20 5 DGBDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000173232766 533288672 /nfs/dbraw/zinc/28/86/72/533288672.db2.gz REROQBFWYZRNOZ-SFHVURJKSA-N 1 0 312.369 3.423 20 5 DGBDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000321189006 533298831 /nfs/dbraw/zinc/29/88/31/533298831.db2.gz DSDNUBIUJRAVFJ-MRXNPFEDSA-N 1 0 314.341 3.217 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C(C)C)CC1 ZINC000470175700 533382234 /nfs/dbraw/zinc/38/22/34/533382234.db2.gz RPCXKAFDPGRFTQ-PTNGSMBKSA-N 1 0 303.406 3.024 20 5 DGBDRO COC(=O)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429398686 533438611 /nfs/dbraw/zinc/43/86/11/533438611.db2.gz VOQVJIPPWKZGOS-NOLJZWGESA-N 1 0 320.389 3.175 20 5 DGBDRO COc1cccc(NCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000317006772 533617602 /nfs/dbraw/zinc/61/76/02/533617602.db2.gz ILZYCRXLEKSFDJ-ZDUSSCGKSA-N 1 0 307.394 3.280 20 5 DGBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000272551672 130040992 /nfs/dbraw/zinc/04/09/92/130040992.db2.gz KRSZQASGGSRDDI-HIFRSBDPSA-N 1 0 323.392 3.149 20 5 DGBDRO COc1ccc(C[NH2+]Cc2ccnc(SC)c2)cc1[N+](=O)[O-] ZINC000357339042 285722876 /nfs/dbraw/zinc/72/28/76/285722876.db2.gz ALTHYKBOXDMKHV-UHFFFAOYSA-N 1 0 319.386 3.010 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000595049444 400089599 /nfs/dbraw/zinc/08/95/99/400089599.db2.gz CPTOKJBAJNUKLO-CYDGBPFRSA-N 1 0 308.378 3.068 20 5 DGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595051205 400090566 /nfs/dbraw/zinc/09/05/66/400090566.db2.gz LKEMNVMOVHGPIW-NILFDRSVSA-N 1 0 308.378 3.212 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595052664 400090600 /nfs/dbraw/zinc/09/06/00/400090600.db2.gz ZTXQHIBEPQZVTE-ZFWWWQNUSA-N 1 0 321.421 3.128 20 5 DGBDRO CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595056684 400092978 /nfs/dbraw/zinc/09/29/78/400092978.db2.gz QODUYMDZGOGSMQ-IUODEOHRSA-N 1 0 303.406 3.045 20 5 DGBDRO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595056364 400093206 /nfs/dbraw/zinc/09/32/06/400093206.db2.gz FRPVHNOOGVFYKY-DZGCQCFKSA-N 1 0 305.422 3.427 20 5 DGBDRO CCOCCC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000584731396 400095788 /nfs/dbraw/zinc/09/57/88/400095788.db2.gz XIKLMEDCZWYGIV-OAHLLOKOSA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000595069414 400097034 /nfs/dbraw/zinc/09/70/34/400097034.db2.gz SACCHYWYDNXKQJ-XHDPSFHLSA-N 1 0 304.390 3.068 20 5 DGBDRO CC(C)C[C@@H](CO)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595072759 400099748 /nfs/dbraw/zinc/09/97/48/400099748.db2.gz PSDWTIJVJIESRF-XIRDDKMYSA-N 1 0 320.433 3.303 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000595088563 400101484 /nfs/dbraw/zinc/10/14/84/400101484.db2.gz JQMGIVPDMKKRQQ-JSGCOSHPSA-N 1 0 322.405 3.053 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccoc1)C1CC1 ZINC000595086469 400101795 /nfs/dbraw/zinc/10/17/95/400101795.db2.gz KHHFTRVFKWZUJU-INIZCTEOSA-N 1 0 300.358 3.341 20 5 DGBDRO CC(C)CC1([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000595094343 400103688 /nfs/dbraw/zinc/10/36/88/400103688.db2.gz ADSOYJALLOYVQS-CYBMUJFWSA-N 1 0 319.405 3.480 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000302885014 400104013 /nfs/dbraw/zinc/10/40/13/400104013.db2.gz MESVQTWEDZRGPN-UHFFFAOYSA-N 1 0 312.373 3.066 20 5 DGBDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000584802555 400105791 /nfs/dbraw/zinc/10/57/91/400105791.db2.gz ALESDZLGAOKBFF-CYBMUJFWSA-N 1 0 318.373 3.209 20 5 DGBDRO COc1ccccc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090909786 400083030 /nfs/dbraw/zinc/08/30/30/400083030.db2.gz GWVQHWGMBYHSAX-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000595033477 400083084 /nfs/dbraw/zinc/08/30/84/400083084.db2.gz MBXJLVATRPEGBC-GXTWGEPZSA-N 1 0 308.378 3.213 20 5 DGBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595508195 400171899 /nfs/dbraw/zinc/17/18/99/400171899.db2.gz VFUVVKJJUWANFL-MRXNPFEDSA-N 1 0 323.824 3.166 20 5 DGBDRO CC1(C)C[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000595525242 400177820 /nfs/dbraw/zinc/17/78/20/400177820.db2.gz QDVWJXHOUHKTIJ-HOCLYGCPSA-N 1 0 304.390 3.342 20 5 DGBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595525224 400178412 /nfs/dbraw/zinc/17/84/12/400178412.db2.gz PXKUFCOHTBUOMD-GDBMZVCRSA-N 1 0 312.385 3.113 20 5 DGBDRO CCOC(=O)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000092532128 400180031 /nfs/dbraw/zinc/18/00/31/400180031.db2.gz MMVOSIGTDFSFIS-FNORWQNLSA-N 1 0 318.373 3.026 20 5 DGBDRO COc1ccccc1CC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595302829 400123415 /nfs/dbraw/zinc/12/34/15/400123415.db2.gz LHMWCERISJDIIU-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000595303772 400123921 /nfs/dbraw/zinc/12/39/21/400123921.db2.gz BINXJJZLEKIHRB-MRXNPFEDSA-N 1 0 321.396 3.184 20 5 DGBDRO Cc1noc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595339500 400130442 /nfs/dbraw/zinc/13/04/42/400130442.db2.gz QEMJZZRREVDBJA-GXTWGEPZSA-N 1 0 301.346 3.269 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000092621885 400187082 /nfs/dbraw/zinc/18/70/82/400187082.db2.gz RHGIJBUZJDXIJG-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595436988 400149999 /nfs/dbraw/zinc/14/99/99/400149999.db2.gz BYEQQQNFFPWBLL-KRWDZBQOSA-N 1 0 315.373 3.488 20 5 DGBDRO Cc1c(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000316377499 400150240 /nfs/dbraw/zinc/15/02/40/400150240.db2.gz IRHOXUBKHVTBOB-WBVHZDCISA-N 1 0 303.406 3.010 20 5 DGBDRO CC[C@@H]1Cc2c(cccc2-c2cc([N+](=O)[O-])ccc2CO)C[NH2+]1 ZINC000600784282 400153001 /nfs/dbraw/zinc/15/30/01/400153001.db2.gz ZXQOZRBDPZZLFI-CQSZACIVSA-N 1 0 312.369 3.178 20 5 DGBDRO CC(C)(C)C[N@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705084 400187353 /nfs/dbraw/zinc/18/73/53/400187353.db2.gz OOFQWFMTOOTECZ-UHFFFAOYSA-N 1 0 300.786 3.089 20 5 DGBDRO Cc1noc(CN(C)CC2(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595452039 400154864 /nfs/dbraw/zinc/15/48/64/400154864.db2.gz GSMSCVRRSPXJNZ-UHFFFAOYSA-N 1 0 301.346 3.055 20 5 DGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC000586790801 400156920 /nfs/dbraw/zinc/15/69/20/400156920.db2.gz OTFMOXHMMNQIRR-JTQLQIEISA-N 1 0 313.313 3.292 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH+]2CCCCCCC2)c2c(c1)COCO2 ZINC000015261573 400163354 /nfs/dbraw/zinc/16/33/54/400163354.db2.gz VNENBNDZFWCXPM-UHFFFAOYSA-N 1 0 306.362 3.227 20 5 DGBDRO CCOc1cc(NCCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000092631841 400188168 /nfs/dbraw/zinc/18/81/68/400188168.db2.gz VYBSMFMTLQHGKI-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505236 400170006 /nfs/dbraw/zinc/17/00/06/400170006.db2.gz QZRXCJJCZSRFLN-QAPCUYQASA-N 1 0 317.433 3.382 20 5 DGBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595676734 400224417 /nfs/dbraw/zinc/22/44/17/400224417.db2.gz NSJWEVMBANSESH-FZMZJTMJSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595677568 400224650 /nfs/dbraw/zinc/22/46/50/400224650.db2.gz PAXHNFYMNIYPRP-XHDPSFHLSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1ccc(C[N@H+](CCCO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000093102094 400227095 /nfs/dbraw/zinc/22/70/95/400227095.db2.gz LSYNEZLFSLKPRE-UHFFFAOYSA-N 1 0 314.385 3.288 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601108032 400235163 /nfs/dbraw/zinc/23/51/63/400235163.db2.gz ASALSHDSQTYGJV-CYBMUJFWSA-N 1 0 314.389 3.110 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCc3occc3C2)cc1 ZINC000588985785 400252966 /nfs/dbraw/zinc/25/29/66/400252966.db2.gz GMWHEDUTCINAMJ-UHFFFAOYSA-N 1 0 316.357 3.405 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000092687120 400195457 /nfs/dbraw/zinc/19/54/57/400195457.db2.gz BMXZAXDFKJLMPV-AWEZNQCLSA-N 1 0 306.410 3.078 20 5 DGBDRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595601692 400200086 /nfs/dbraw/zinc/20/00/86/400200086.db2.gz QKVGICFTAPNWJK-INIZCTEOSA-N 1 0 314.389 3.245 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000595821307 400271206 /nfs/dbraw/zinc/27/12/06/400271206.db2.gz YQBLHYNOVDXWCV-HSBZDZAISA-N 1 0 310.369 3.480 20 5 DGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589188716 400271448 /nfs/dbraw/zinc/27/14/48/400271448.db2.gz HXMJKLQFKXFNBD-AKTONZINSA-N 1 0 315.417 3.167 20 5 DGBDRO COc1cc(C[NH+]2CCC3(CCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000589188470 400272099 /nfs/dbraw/zinc/27/20/99/400272099.db2.gz YJAIAVHIZPAXEN-UHFFFAOYSA-N 1 0 320.389 3.378 20 5 DGBDRO CCOC1CC2(C1)CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000589190238 400272297 /nfs/dbraw/zinc/27/22/97/400272297.db2.gz UNTHZXKAPPCJOW-ALCCZGGFSA-N 1 0 316.401 3.499 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858016 400282488 /nfs/dbraw/zinc/28/24/88/400282488.db2.gz QIDZJICCNYQLTN-PBNFFQIGSA-N 1 0 317.389 3.185 20 5 DGBDRO O=C(C[N@H+](CCC1CC1)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595871354 400283740 /nfs/dbraw/zinc/28/37/40/400283740.db2.gz KTCFEPFPRYZHGF-UHFFFAOYSA-N 1 0 317.389 3.045 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000610664736 400287091 /nfs/dbraw/zinc/28/70/91/400287091.db2.gz HZWORFUZKYIYKN-CQSZACIVSA-N 1 0 319.405 3.415 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000601303313 400287554 /nfs/dbraw/zinc/28/75/54/400287554.db2.gz DQGYWZOXUPDXIB-NSHDSACASA-N 1 0 317.345 3.003 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595911741 400293493 /nfs/dbraw/zinc/29/34/93/400293493.db2.gz WQVIDROATWBFHB-CALCHBBNSA-N 1 0 320.364 3.127 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOCCF)s2)cc1 ZINC000596056944 400305796 /nfs/dbraw/zinc/30/57/96/400305796.db2.gz BDAJZIRCVDJNEP-UHFFFAOYSA-N 1 0 324.377 3.399 20 5 DGBDRO CC[NH+]1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596061089 400306121 /nfs/dbraw/zinc/30/61/21/400306121.db2.gz BTTCIEAAVOSIKF-UHFFFAOYSA-N 1 0 313.785 3.153 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000610799554 400308340 /nfs/dbraw/zinc/30/83/40/400308340.db2.gz SNOBLQNFTQVUEV-SOUVJXGZSA-N 1 0 303.406 3.181 20 5 DGBDRO Cc1occc1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610805259 400309143 /nfs/dbraw/zinc/30/91/43/400309143.db2.gz LVFDPLYDZZVELP-LLVKDONJSA-N 1 0 317.345 3.003 20 5 DGBDRO O=[N+]([O-])c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1C(F)(F)F ZINC000596091012 400314367 /nfs/dbraw/zinc/31/43/67/400314367.db2.gz DMFAXGLJGLIKBZ-SNVBAGLBSA-N 1 0 315.295 3.262 20 5 DGBDRO C[C@@H](CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000026729782 400262010 /nfs/dbraw/zinc/26/20/10/400262010.db2.gz RJMBRRSSYUVLIQ-AWEZNQCLSA-N 1 0 311.385 3.454 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(O)(CC)CC1 ZINC000611314548 400378586 /nfs/dbraw/zinc/37/85/86/400378586.db2.gz DYSPTOLVTPKPAK-UHFFFAOYSA-N 1 0 322.405 3.167 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000596335172 400384481 /nfs/dbraw/zinc/38/44/81/400384481.db2.gz GJEUPWMSGJQYSI-LBPRGKRZSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000611370367 400384971 /nfs/dbraw/zinc/38/49/71/400384971.db2.gz JCUIGWAICHUMMH-FRRDWIJNSA-N 1 0 309.435 3.498 20 5 DGBDRO CC1CC[NH+](C2CCC(Nc3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000611031837 400340320 /nfs/dbraw/zinc/34/03/20/400340320.db2.gz CTBYXAASCDRCEA-UHFFFAOYSA-N 1 0 318.421 3.445 20 5 DGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C[C@H]1C ZINC000611204025 400359171 /nfs/dbraw/zinc/35/91/71/400359171.db2.gz YXXVZGYQICXPBZ-CYBMUJFWSA-N 1 0 321.421 3.303 20 5 DGBDRO C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000596251119 400360137 /nfs/dbraw/zinc/36/01/37/400360137.db2.gz NZFKXBHSUSQRJL-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000611261508 400367817 /nfs/dbraw/zinc/36/78/17/400367817.db2.gz HUVXYMYRQBGKMK-AFCDSYGPSA-N 1 0 315.417 3.168 20 5 DGBDRO C[NH+](C)C1(CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596275388 400368026 /nfs/dbraw/zinc/36/80/26/400368026.db2.gz RCNCJIHWNLAQSE-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)C2CCCCC2)c(F)c1 ZINC000590194621 400369495 /nfs/dbraw/zinc/36/94/95/400369495.db2.gz YQIHMWSXIAYGAW-AWEZNQCLSA-N 1 0 310.369 3.012 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000596309566 400376860 /nfs/dbraw/zinc/37/68/60/400376860.db2.gz VQSHNSLMDLRRGB-CQSZACIVSA-N 1 0 314.389 3.428 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000596309575 400377195 /nfs/dbraw/zinc/37/71/95/400377195.db2.gz VVXUNMKISFCEQQ-ZDUSSCGKSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000611307025 400377593 /nfs/dbraw/zinc/37/75/93/400377593.db2.gz LMNZAVIRFNKKEV-UHFFFAOYSA-N 1 0 318.402 3.380 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000611516000 400414297 /nfs/dbraw/zinc/41/42/97/400414297.db2.gz YZTQXRBJHYUHIM-GDBMZVCRSA-N 1 0 314.389 3.498 20 5 DGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072698044 400398695 /nfs/dbraw/zinc/39/86/95/400398695.db2.gz OTNFLDVAJQHLLB-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718885 400399421 /nfs/dbraw/zinc/39/94/21/400399421.db2.gz FGAABFLTAGJMKC-JKSUJKDBSA-N 1 0 317.433 3.464 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000611470141 400407255 /nfs/dbraw/zinc/40/72/55/400407255.db2.gz DSADFTGUKMFPPO-YDHLFZDLSA-N 1 0 306.406 3.055 20 5 DGBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C[NH+](C)C)c1 ZINC000072840310 400407731 /nfs/dbraw/zinc/40/77/31/400407731.db2.gz WETDLXQTDMEZAZ-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000611618810 400430156 /nfs/dbraw/zinc/43/01/56/400430156.db2.gz PHFILTHHJZNYRN-CYBMUJFWSA-N 1 0 320.418 3.171 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596518061 400435524 /nfs/dbraw/zinc/43/55/24/400435524.db2.gz UNZKHGARRWZMJV-CYBMUJFWSA-N 1 0 300.362 3.039 20 5 DGBDRO CC(=O)c1cc(N[C@H](C)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000596487183 400427171 /nfs/dbraw/zinc/42/71/71/400427171.db2.gz DSNQXBZKDWRJBI-CYBMUJFWSA-N 1 0 319.405 3.330 20 5 DGBDRO CC(C)OCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000120536223 400445721 /nfs/dbraw/zinc/44/57/21/400445721.db2.gz HXCPBKHGFOMVEW-GOEBONIOSA-N 1 0 306.406 3.321 20 5 DGBDRO COC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602429521 400459315 /nfs/dbraw/zinc/45/93/15/400459315.db2.gz FARIJQPTWLQNMT-UHFFFAOYSA-N 1 0 318.295 3.224 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000596570051 400446499 /nfs/dbraw/zinc/44/64/99/400446499.db2.gz IGBPHGIILSMNRG-GFCCVEGCSA-N 1 0 324.812 3.177 20 5 DGBDRO CC[NH+](CC)CCCC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611764640 400450306 /nfs/dbraw/zinc/45/03/06/400450306.db2.gz QSGRWLXMWGZAIB-UHFFFAOYSA-N 1 0 320.437 3.328 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+]C2CC=CC2)cc1Br ZINC000602569652 400499284 /nfs/dbraw/zinc/49/92/84/400499284.db2.gz QHMIUVXCORTQLL-UHFFFAOYSA-N 1 0 303.181 3.227 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCC[NH2+]CC2)o1 ZINC000591278587 400505352 /nfs/dbraw/zinc/50/53/52/400505352.db2.gz UHUKDJPPLIYWOH-ZDUSSCGKSA-N 1 0 315.373 3.087 20 5 DGBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C2 ZINC000612194029 400506516 /nfs/dbraw/zinc/50/65/16/400506516.db2.gz KVLKBGWGPGXMOT-CQSZACIVSA-N 1 0 318.398 3.312 20 5 DGBDRO Cc1cnc([C@@H](C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000602610836 400511012 /nfs/dbraw/zinc/51/10/12/400511012.db2.gz AMLPIZSVACEKEO-NSHDSACASA-N 1 0 305.403 3.296 20 5 DGBDRO COC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000602614723 400511762 /nfs/dbraw/zinc/51/17/62/400511762.db2.gz GPHIGGCWEXOUAF-UHFFFAOYSA-N 1 0 319.361 3.175 20 5 DGBDRO CCC[C@@H](CC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602546837 400492722 /nfs/dbraw/zinc/49/27/22/400492722.db2.gz XZWWPJOLUDKNLD-CYBMUJFWSA-N 1 0 306.410 3.127 20 5 DGBDRO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccncc1 ZINC000602562848 400497005 /nfs/dbraw/zinc/49/70/05/400497005.db2.gz JRGKWQPZSOIVAA-NSHDSACASA-N 1 0 312.329 3.024 20 5 DGBDRO CO[C@H](C)c1nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000602564303 400498237 /nfs/dbraw/zinc/49/82/37/400498237.db2.gz LITRPHLWDSABSS-LLVKDONJSA-N 1 0 321.402 3.091 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000602788277 400574941 /nfs/dbraw/zinc/57/49/41/400574941.db2.gz PNDPCQVXHDRQCR-UHFFFAOYSA-N 1 0 322.796 3.278 20 5 DGBDRO Cc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(F)c1 ZINC000602635857 400518866 /nfs/dbraw/zinc/51/88/66/400518866.db2.gz CHTLPCTUDIHXGA-UHFFFAOYSA-N 1 0 318.352 3.076 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCSC1 ZINC000602644462 400522346 /nfs/dbraw/zinc/52/23/46/400522346.db2.gz RFUWTWIDCTXSKI-SECBINFHSA-N 1 0 320.336 3.456 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444785 400527351 /nfs/dbraw/zinc/52/73/51/400527351.db2.gz WGJFSYJRDXLGPY-VXGBXAGGSA-N 1 0 309.797 3.074 20 5 DGBDRO CC(C)C[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129870428 400530666 /nfs/dbraw/zinc/53/06/66/400530666.db2.gz PSDWTIJVJIESRF-HYVNUMGLSA-N 1 0 320.433 3.303 20 5 DGBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000602803011 400579000 /nfs/dbraw/zinc/57/90/00/400579000.db2.gz UPMYXDRLBWILFR-CQSZACIVSA-N 1 0 322.796 3.494 20 5 DGBDRO Cc1ccc([C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591582692 400542328 /nfs/dbraw/zinc/54/23/28/400542328.db2.gz UFTRWLMOPQWBQS-UKRRQHHQSA-N 1 0 303.406 3.229 20 5 DGBDRO CC[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582668 400543132 /nfs/dbraw/zinc/54/31/32/400543132.db2.gz SSEBEHDJMKUTEI-GOEBONIOSA-N 1 0 303.406 3.310 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000618197874 400546530 /nfs/dbraw/zinc/54/65/30/400546530.db2.gz OLIQLIXXKLUURD-MAVJXHJTSA-N 1 0 324.380 3.461 20 5 DGBDRO C[N@H+](CCCOc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000046783393 400580283 /nfs/dbraw/zinc/58/02/83/400580283.db2.gz UAUNVSDXRAOQHN-UHFFFAOYSA-N 1 0 300.358 3.496 20 5 DGBDRO O=[N+]([O-])c1ccc(OC[C@H]2CC[NH2+]C2)c(Cc2ccccc2)c1 ZINC000592158352 400615493 /nfs/dbraw/zinc/61/54/93/400615493.db2.gz ARKNNZMEMYIYKY-HNNXBMFYSA-N 1 0 312.369 3.174 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C(C)C ZINC000140510785 400619240 /nfs/dbraw/zinc/61/92/40/400619240.db2.gz GQALLAJMECXDMT-MRXNPFEDSA-N 1 0 319.405 3.352 20 5 DGBDRO C[N@H+](CCCC[NH+]1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000603110001 400642828 /nfs/dbraw/zinc/64/28/28/400642828.db2.gz IXZXCWBQOSFRNO-UHFFFAOYSA-N 1 0 305.422 3.293 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(CC3CC3)C1)CCC2 ZINC000618567988 400625901 /nfs/dbraw/zinc/62/59/01/400625901.db2.gz DSGBSHCVIOLMBJ-MAUKXSAKSA-N 1 0 315.417 3.046 20 5 DGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(CO)cc2)cccc1[N+](=O)[O-] ZINC000592392886 400643575 /nfs/dbraw/zinc/64/35/75/400643575.db2.gz CHOKOKSCUMPPJA-ZDUSSCGKSA-N 1 0 300.358 3.246 20 5 DGBDRO COc1cc(C[NH2+]CC(C(C)C)C(C)C)c([N+](=O)[O-])cc1O ZINC000618600464 400638709 /nfs/dbraw/zinc/63/87/09/400638709.db2.gz NWKZPEBDOZEJTQ-UHFFFAOYSA-N 1 0 310.394 3.327 20 5 DGBDRO CC(C)Cn1nccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592362693 400639124 /nfs/dbraw/zinc/63/91/24/400639124.db2.gz CEKGNVSRTREJCP-CYBMUJFWSA-N 1 0 302.378 3.298 20 5 DGBDRO CC(C)[C@H](O)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000597222953 400591377 /nfs/dbraw/zinc/59/13/77/400591377.db2.gz QLRFATCEXRLPMV-MSOLQXFVSA-N 1 0 314.385 3.443 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597231208 400593939 /nfs/dbraw/zinc/59/39/39/400593939.db2.gz OIGSBTRFBSEDIW-CABCVRRESA-N 1 0 304.390 3.187 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000597248462 400599546 /nfs/dbraw/zinc/59/95/46/400599546.db2.gz WTHNNVQVINFSDG-HDICACEKSA-N 1 0 316.401 3.296 20 5 DGBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000592520800 400662585 /nfs/dbraw/zinc/66/25/85/400662585.db2.gz SKKIZRLAZIQPCF-CQSZACIVSA-N 1 0 311.813 3.164 20 5 DGBDRO COc1cc(C[N@H+](C)CCC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000592522490 400664205 /nfs/dbraw/zinc/66/42/05/400664205.db2.gz DDWOAOZKTBAIQB-UHFFFAOYSA-N 1 0 310.394 3.480 20 5 DGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000076799067 400673038 /nfs/dbraw/zinc/67/30/38/400673038.db2.gz NAPWETYAGQGXEV-KBPBESRZSA-N 1 0 306.410 3.160 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)CC1CCC1 ZINC000603429057 400686123 /nfs/dbraw/zinc/68/61/23/400686123.db2.gz MDVLRRQNZJWPQQ-WDBUWWRISA-N 1 0 304.390 3.139 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000157689940 400718330 /nfs/dbraw/zinc/71/83/30/400718330.db2.gz USRHMYBCZQTPBJ-XJKSGUPXSA-N 1 0 303.406 3.038 20 5 DGBDRO CC[NH+](CC)Cc1ccc(CNc2cccnc2[N+](=O)[O-])cc1 ZINC000603844749 400721907 /nfs/dbraw/zinc/72/19/07/400721907.db2.gz WGOIOHYEIOKCIN-UHFFFAOYSA-N 1 0 314.389 3.444 20 5 DGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccccc1 ZINC000603854195 400724184 /nfs/dbraw/zinc/72/41/84/400724184.db2.gz GDHXUFPPCHAIKU-UHFFFAOYSA-N 1 0 300.358 3.148 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000603865100 400726455 /nfs/dbraw/zinc/72/64/55/400726455.db2.gz RMJXRTYJVORSOB-IAGOWNOFSA-N 1 0 323.396 3.163 20 5 DGBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000052407452 400728634 /nfs/dbraw/zinc/72/86/34/400728634.db2.gz JPLJGIZIWFVHSK-UHFFFAOYSA-N 1 0 312.373 3.066 20 5 DGBDRO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])s2)[NH+](C)C)c1 ZINC000603937427 400735640 /nfs/dbraw/zinc/73/56/40/400735640.db2.gz UVWAKEWSFLGDFV-CYBMUJFWSA-N 1 0 321.402 3.380 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H](CO)CC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000618986672 400739549 /nfs/dbraw/zinc/73/95/49/400739549.db2.gz DRXNHSFQIBMSGJ-WBMJQRKESA-N 1 0 304.390 3.068 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000164690213 400750739 /nfs/dbraw/zinc/75/07/39/400750739.db2.gz DHTGPZBZTDRFRW-LBPRGKRZSA-N 1 0 317.389 3.105 20 5 DGBDRO CC(=O)c1ccc(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000052101367 400717571 /nfs/dbraw/zinc/71/75/71/400717571.db2.gz KYAIHMJIXZXPDF-OLZOCXBDSA-N 1 0 319.405 3.472 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@H](C)CO)CC1 ZINC000593081688 400756258 /nfs/dbraw/zinc/75/62/58/400756258.db2.gz HGYWGQXGBFEONR-KGLIPLIRSA-N 1 0 306.406 3.305 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1cccnc1[N+](=O)[O-])c1ccco1 ZINC000604473056 400778080 /nfs/dbraw/zinc/77/80/80/400778080.db2.gz ZFDNORXMOFRQAC-CYBMUJFWSA-N 1 0 304.350 3.078 20 5 DGBDRO CC(C)CC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000053366059 400779008 /nfs/dbraw/zinc/77/90/08/400779008.db2.gz ROCIKLXSMNRKIL-UHFFFAOYSA-N 1 0 304.350 3.123 20 5 DGBDRO CCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053378001 400779867 /nfs/dbraw/zinc/77/98/67/400779867.db2.gz ZBMCMPDWBAIBIN-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO CCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000053377998 400780058 /nfs/dbraw/zinc/78/00/58/400780058.db2.gz ZQCHCCZCSPPVBW-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCCC[NH+](C)C ZINC000614289164 400870131 /nfs/dbraw/zinc/87/01/31/400870131.db2.gz ILBCLTOARCVKFZ-UHFFFAOYSA-N 1 0 322.409 3.017 20 5 DGBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC1 ZINC000598633374 400847015 /nfs/dbraw/zinc/84/70/15/400847015.db2.gz KYSPYGCXZKBALL-UHFFFAOYSA-N 1 0 303.284 3.168 20 5 DGBDRO CO[C@]1(C)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000619433473 400847052 /nfs/dbraw/zinc/84/70/52/400847052.db2.gz DKSSBOFFIAXMLZ-CTEOGUNLSA-N 1 0 304.390 3.499 20 5 DGBDRO Cc1c(C[N@@H+]2CCOCC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000614222855 400857217 /nfs/dbraw/zinc/85/72/17/400857217.db2.gz KJHVVDCRLBYEHQ-UHFFFAOYSA-N 1 0 304.390 3.296 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000619549326 400864949 /nfs/dbraw/zinc/86/49/49/400864949.db2.gz UQAIPZBAJPERTB-AWEZNQCLSA-N 1 0 304.394 3.199 20 5 DGBDRO Cc1cccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C(C)C)c1 ZINC000599043624 400936444 /nfs/dbraw/zinc/93/64/44/400936444.db2.gz YWOBVEKFPGHZTP-MRXNPFEDSA-N 1 0 302.378 3.087 20 5 DGBDRO CCC[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)OCC ZINC000599057959 400942211 /nfs/dbraw/zinc/94/22/11/400942211.db2.gz DHDICTYJPDZBRX-GXTWGEPZSA-N 1 0 310.394 3.459 20 5 DGBDRO CCC[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OCC ZINC000599062382 400944057 /nfs/dbraw/zinc/94/40/57/400944057.db2.gz WWMFODPAPDDNHC-RBSFLKMASA-N 1 0 324.425 3.070 20 5 DGBDRO C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069585 400948023 /nfs/dbraw/zinc/94/80/23/400948023.db2.gz HVZXIUGSXDYSBC-KSSFIOAISA-N 1 0 317.433 3.294 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599084633 400955335 /nfs/dbraw/zinc/95/53/35/400955335.db2.gz DDZLHSIHTHRCND-KHIZAZIESA-N 1 0 320.389 3.212 20 5 DGBDRO CCc1nocc1CN(C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599086694 400955347 /nfs/dbraw/zinc/95/53/47/400955347.db2.gz QDEPCYHOKOJBMC-UHFFFAOYSA-N 1 0 312.329 3.330 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000593677232 400889987 /nfs/dbraw/zinc/88/99/87/400889987.db2.gz VMWNSMSTDYVVSM-LTBFUDJGSA-N 1 0 318.417 3.339 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)C1CCCCC1 ZINC000182693687 400896314 /nfs/dbraw/zinc/89/63/14/400896314.db2.gz RKXRPWRZTMGWBP-ZDUSSCGKSA-N 1 0 319.405 3.400 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)c1ccsc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000619746364 400897132 /nfs/dbraw/zinc/89/71/32/400897132.db2.gz PWZCZSFSXDIYNO-GHMZBOCLSA-N 1 0 319.386 3.334 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2CCCF)cc1 ZINC000619753735 400898376 /nfs/dbraw/zinc/89/83/76/400898376.db2.gz HZCPTWGCBLMCLE-XJKSGUPXSA-N 1 0 310.369 3.482 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)COCC2CC2)cc1[N+](=O)[O-] ZINC000593718141 400899391 /nfs/dbraw/zinc/89/93/91/400899391.db2.gz LOIVDGWWVIEQCH-QWHCGFSZSA-N 1 0 322.405 3.459 20 5 DGBDRO Cc1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000598972543 400916100 /nfs/dbraw/zinc/91/61/00/400916100.db2.gz UEJTWJBJLXLXGH-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000599011024 400926973 /nfs/dbraw/zinc/92/69/73/400926973.db2.gz WNFKOVHANADDFW-FQGYXVRMSA-N 1 0 302.374 3.155 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCCC13CC3)OCCO2 ZINC000599016054 400927241 /nfs/dbraw/zinc/92/72/41/400927241.db2.gz ISYAJWMSICXASQ-ZDUSSCGKSA-N 1 0 318.373 3.036 20 5 DGBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc2cnccc21 ZINC000599023287 400929718 /nfs/dbraw/zinc/92/97/18/400929718.db2.gz DNQBOUDNYDFZDT-ZIAGYGMSSA-N 1 0 312.373 3.182 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599026215 400931123 /nfs/dbraw/zinc/93/11/23/400931123.db2.gz DARUSUPFOZBHLL-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000599166586 400983770 /nfs/dbraw/zinc/98/37/70/400983770.db2.gz YGXQDZAQOWUOQU-ZDUSSCGKSA-N 1 0 305.378 3.032 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000599166585 400983979 /nfs/dbraw/zinc/98/39/79/400983979.db2.gz YGXQDZAQOWUOQU-CYBMUJFWSA-N 1 0 305.378 3.032 20 5 DGBDRO CC(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000615141191 401014593 /nfs/dbraw/zinc/01/45/93/401014593.db2.gz HHJOQPWGHYXKKN-ZDUSSCGKSA-N 1 0 320.389 3.234 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000599090694 400957020 /nfs/dbraw/zinc/95/70/20/400957020.db2.gz GYILMNFREYXAEM-MCIONIFRSA-N 1 0 324.446 3.480 20 5 DGBDRO CC(C)OC(=O)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594043097 400959646 /nfs/dbraw/zinc/95/96/46/400959646.db2.gz YXMHVFJWDVTYSG-INIZCTEOSA-N 1 0 322.405 3.093 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599098603 400960808 /nfs/dbraw/zinc/96/08/08/400960808.db2.gz NFFQNHXAFYKKDO-CYBMUJFWSA-N 1 0 314.389 3.428 20 5 DGBDRO COc1cc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000599514458 401064230 /nfs/dbraw/zinc/06/42/30/401064230.db2.gz ITVGEVYLYKNHMZ-PHIMTYICSA-N 1 0 314.332 3.327 20 5 DGBDRO COc1cc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000599514457 401065182 /nfs/dbraw/zinc/06/51/82/401065182.db2.gz ITVGEVYLYKNHMZ-GHMZBOCLSA-N 1 0 314.332 3.327 20 5 DGBDRO CC1(C)CCC(C)(C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599537189 401071457 /nfs/dbraw/zinc/07/14/57/401071457.db2.gz APCAFCPECHRNGU-UHFFFAOYSA-N 1 0 319.405 3.094 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)c1cccc(F)c1 ZINC000594497425 401081675 /nfs/dbraw/zinc/08/16/75/401081675.db2.gz AGRZYBIMHWCXDI-JKSUJKDBSA-N 1 0 316.332 3.044 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000060089767 401100711 /nfs/dbraw/zinc/10/07/11/401100711.db2.gz LVDWVIMEBZKPRD-CQSZACIVSA-N 1 0 319.405 3.496 20 5 DGBDRO COc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594596470 401121976 /nfs/dbraw/zinc/12/19/76/401121976.db2.gz ACMKGGNNFSWDCR-KBPBESRZSA-N 1 0 305.378 3.032 20 5 DGBDRO CCOC(=O)CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000594611054 401133321 /nfs/dbraw/zinc/13/33/21/401133321.db2.gz LHWWORKHIYXTCQ-UHFFFAOYSA-N 1 0 308.378 3.067 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000599597130 401089775 /nfs/dbraw/zinc/08/97/75/401089775.db2.gz ULKLHCAPRDDOSN-KRWDZBQOSA-N 1 0 322.405 3.024 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCc2nc(C3CC3)ncc2C1 ZINC000599619367 401092499 /nfs/dbraw/zinc/09/24/99/401092499.db2.gz JJNIKZGCPYWWNC-LBPRGKRZSA-N 1 0 324.384 3.382 20 5 DGBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000599623352 401093715 /nfs/dbraw/zinc/09/37/15/401093715.db2.gz ORAKFTPHZCPAIR-LLVKDONJSA-N 1 0 300.305 3.093 20 5 DGBDRO Cc1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000594521044 401099615 /nfs/dbraw/zinc/09/96/15/401099615.db2.gz LCEIBFBVURZGSJ-UHFFFAOYSA-N 1 0 303.337 3.078 20 5 DGBDRO Cc1cnc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000594521229 401099834 /nfs/dbraw/zinc/09/98/34/401099834.db2.gz MTVQBNGCQRECIZ-FNORWQNLSA-N 1 0 311.385 3.452 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c2cc([N+](=O)[O-])ccc21 ZINC000279175328 401148776 /nfs/dbraw/zinc/14/87/76/401148776.db2.gz VCUOKLOKBDLIKP-FWYOQMDTSA-N 1 0 302.374 3.227 20 5 DGBDRO CO[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000615837575 401160787 /nfs/dbraw/zinc/16/07/87/401160787.db2.gz FPPHEDQJGLUWRB-VWILAXROSA-N 1 0 304.390 3.499 20 5 DGBDRO CCO[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000615833756 401160952 /nfs/dbraw/zinc/16/09/52/401160952.db2.gz NYNCAPGMYLWRCS-QXSWTLKVSA-N 1 0 304.390 3.499 20 5 DGBDRO CCOC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000615833476 401160998 /nfs/dbraw/zinc/16/09/98/401160998.db2.gz MHJUULYJVBAOPI-SDNWHVSQSA-N 1 0 304.390 3.499 20 5 DGBDRO Cc1ncc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)n1 ZINC000358306808 286026961 /nfs/dbraw/zinc/02/69/61/286026961.db2.gz GPVJQYPKPINHJU-LLVKDONJSA-N 1 0 300.362 3.161 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCOCC1CC1 ZINC000595003324 401225744 /nfs/dbraw/zinc/22/57/44/401225744.db2.gz HBDULXXHBYIKFH-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO C[C@@H]([NH2+]CCc1c[nH]c2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC000358352711 286039927 /nfs/dbraw/zinc/03/99/27/286039927.db2.gz NLKCGPPAQQBVKX-GFCCVEGCSA-N 1 0 310.357 3.364 20 5 DGBDRO C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000090779950 401273541 /nfs/dbraw/zinc/27/35/41/401273541.db2.gz XSVXPXXXXBGGPZ-UGSOOPFHSA-N 1 0 312.369 3.079 20 5 DGBDRO CCCC[C@H](COC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595008749 401228635 /nfs/dbraw/zinc/22/86/35/401228635.db2.gz QLANZHAJXKIUGA-CHWSQXEVSA-N 1 0 310.394 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccc(C)nc1 ZINC000595014571 401232925 /nfs/dbraw/zinc/23/29/25/401232925.db2.gz BLCHPFJVBDSKDP-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000595014224 401232948 /nfs/dbraw/zinc/23/29/48/401232948.db2.gz VBRNUUHAUIWZDW-JCURWCKSSA-N 1 0 322.405 3.195 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000595018241 401233808 /nfs/dbraw/zinc/23/38/08/401233808.db2.gz MDCGHJSBLWDCEF-AEAUEXCSSA-N 1 0 320.389 3.212 20 5 DGBDRO Cc1cccc(NCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000358375038 286044575 /nfs/dbraw/zinc/04/45/75/286044575.db2.gz HAHJWRWTQKCDDQ-AWEZNQCLSA-N 1 0 314.389 3.369 20 5 DGBDRO CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000359025743 286218548 /nfs/dbraw/zinc/21/85/48/286218548.db2.gz KNDAKCYJLUCJCH-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO CCC[C@@H]([NH2+]CCN1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000359042094 286222098 /nfs/dbraw/zinc/22/20/98/286222098.db2.gz BDITUAZNXIDDPP-QGZVFWFLSA-N 1 0 303.406 3.288 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)C(F)(F)F ZINC000359142165 286247183 /nfs/dbraw/zinc/24/71/83/286247183.db2.gz ZAGUABKRGQMUGL-SECBINFHSA-N 1 0 306.284 3.282 20 5 DGBDRO CCC(=O)c1ccc(NC[C@H]2CCC[N@@H+](CC)C2)c([N+](=O)[O-])c1 ZINC000359460001 286312994 /nfs/dbraw/zinc/31/29/94/286312994.db2.gz PQIXRIWLHQEVDD-CYBMUJFWSA-N 1 0 319.405 3.331 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1CC ZINC000359462466 286313448 /nfs/dbraw/zinc/31/34/48/286313448.db2.gz WKVBRSRVZSVXMO-AWEZNQCLSA-N 1 0 323.441 3.186 20 5 DGBDRO Cc1cccc2ncc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)n21 ZINC000359792096 286381281 /nfs/dbraw/zinc/38/12/81/286381281.db2.gz FPEFMCLSVOXCRF-UHFFFAOYSA-N 1 0 310.357 3.149 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000182850437 292296607 /nfs/dbraw/zinc/29/66/07/292296607.db2.gz WMBOBBCCUBPZRN-HDMKZQKVSA-N 1 0 317.433 3.380 20 5 DGBDRO COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000449346796 286453100 /nfs/dbraw/zinc/45/31/00/286453100.db2.gz DHKWHDRLFOIRDS-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000360949039 286560215 /nfs/dbraw/zinc/56/02/15/286560215.db2.gz GFASAZYSKDCJCV-AWEZNQCLSA-N 1 0 323.441 3.042 20 5 DGBDRO CC[C@H]([NH2+]CCCN1CCCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000361220716 286626455 /nfs/dbraw/zinc/62/64/55/286626455.db2.gz NJMKPDKZQQVUGG-INIZCTEOSA-N 1 0 319.405 3.038 20 5 DGBDRO CSC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000433091751 286658480 /nfs/dbraw/zinc/65/84/80/286658480.db2.gz OUZCPIKKJPHPOX-QWHCGFSZSA-N 1 0 324.450 3.150 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000364963271 287080232 /nfs/dbraw/zinc/08/02/32/287080232.db2.gz NOMIXARHBHFFSN-UHFFFAOYSA-N 1 0 304.390 3.219 20 5 DGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000185618906 165010185 /nfs/dbraw/zinc/01/01/85/165010185.db2.gz JSJXRYSZJRVOFM-XJKSGUPXSA-N 1 0 319.405 3.352 20 5 DGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000186669779 165054110 /nfs/dbraw/zinc/05/41/10/165054110.db2.gz ODEFBWOIKHRVQI-MRXNPFEDSA-N 1 0 308.378 3.052 20 5 DGBDRO COC(=O)[C@H](C)N(C/C=C/c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000191643079 165262818 /nfs/dbraw/zinc/26/28/18/165262818.db2.gz ORWJVEFKWWHNHD-CFNZNRNTSA-N 1 0 318.373 3.024 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000192495334 165294467 /nfs/dbraw/zinc/29/44/67/165294467.db2.gz BRNJARPVWGCPKD-CQSZACIVSA-N 1 0 323.441 3.042 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+](C(C)C)C(C)C ZINC000192641612 165300820 /nfs/dbraw/zinc/30/08/20/165300820.db2.gz YEBCEVAFXUOEJU-UHFFFAOYSA-N 1 0 311.430 3.040 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000365401999 287128233 /nfs/dbraw/zinc/12/82/33/287128233.db2.gz ICGVSBYDYFMMOW-CQSZACIVSA-N 1 0 311.813 3.164 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000171680163 432159175 /nfs/dbraw/zinc/15/91/75/432159175.db2.gz BCVCQCYUMZYGCI-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000182187365 432164960 /nfs/dbraw/zinc/16/49/60/432164960.db2.gz ANHQRPKIRAOYSL-GFCCVEGCSA-N 1 0 311.813 3.022 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182215633 432166059 /nfs/dbraw/zinc/16/60/59/432166059.db2.gz IDJOXALQGQSEKX-GFCCVEGCSA-N 1 0 311.813 3.022 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000171950211 432186188 /nfs/dbraw/zinc/18/61/88/432186188.db2.gz DDPWYODPGUHJKP-YPMHNXCESA-N 1 0 307.394 3.208 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150813008 432192916 /nfs/dbraw/zinc/19/29/16/432192916.db2.gz CFBRTHQQDKLTMR-ZDUSSCGKSA-N 1 0 323.824 3.166 20 5 DGBDRO C[C@H](c1ccccc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269686890 432197113 /nfs/dbraw/zinc/19/71/13/432197113.db2.gz GRWMZTFFLVDPBV-DYVFJYSZSA-N 1 0 300.358 3.321 20 5 DGBDRO C[C@H](O)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000130802497 196111071 /nfs/dbraw/zinc/11/10/71/196111071.db2.gz BHBOPPIBANIFTC-NSHDSACASA-N 1 0 306.387 3.136 20 5 DGBDRO CO[C@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000191150837 432227783 /nfs/dbraw/zinc/22/77/83/432227783.db2.gz BSWBOLPKABEWAF-LLVKDONJSA-N 1 0 306.387 3.448 20 5 DGBDRO CCC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000133223873 196323140 /nfs/dbraw/zinc/32/31/40/196323140.db2.gz UJMIHQOFKFCPFH-UHFFFAOYSA-N 1 0 314.389 3.370 20 5 DGBDRO CCOc1cc(NC[C@H]2CCC[N@H+](CC)C2)ccc1[N+](=O)[O-] ZINC000133260415 196325519 /nfs/dbraw/zinc/32/55/19/196325519.db2.gz LGFBEWNALKZJTM-CYBMUJFWSA-N 1 0 307.394 3.137 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000265105360 287275482 /nfs/dbraw/zinc/27/54/82/287275482.db2.gz YQJYDILQBMOINA-HUUCEWRRSA-N 1 0 318.421 3.081 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000295861079 225322286 /nfs/dbraw/zinc/32/22/86/225322286.db2.gz BXNSVUOJCYLPOT-UHFFFAOYSA-N 1 0 311.332 3.302 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000290951305 222023910 /nfs/dbraw/zinc/02/39/10/222023910.db2.gz VCPXNNCJZPNMPW-JTQLQIEISA-N 1 0 305.161 3.170 20 5 DGBDRO CO[C@@](C)(C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000291128948 222158683 /nfs/dbraw/zinc/15/86/83/222158683.db2.gz GRSBWHFLFDUFNT-DYVFJYSZSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H](Cc1ccccc1F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000186740195 228412712 /nfs/dbraw/zinc/41/27/12/228412712.db2.gz INPHMHNUQJRMRD-CYBMUJFWSA-N 1 0 302.349 3.497 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCOCC1CC1)CCC2 ZINC000192619458 228552530 /nfs/dbraw/zinc/55/25/30/228552530.db2.gz ZLGKHFKNXRRXBF-KRWDZBQOSA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000261809229 228640627 /nfs/dbraw/zinc/64/06/27/228640627.db2.gz HJZOZDHFGSJTTD-HXUWFJFHSA-N 1 0 319.408 3.199 20 5 DGBDRO Cc1cc(NC[C@@]2(C)CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302094759 230093018 /nfs/dbraw/zinc/09/30/18/230093018.db2.gz RLIDEKAYNRDBLG-MRXNPFEDSA-N 1 0 301.346 3.432 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413023108 230113135 /nfs/dbraw/zinc/11/31/35/230113135.db2.gz IEEDXLJQEOBUFG-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DGBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000413055453 230121704 /nfs/dbraw/zinc/12/17/04/230121704.db2.gz RGYWWLGEWYNXQH-CQSZACIVSA-N 1 0 310.373 3.051 20 5 DGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413113968 230134337 /nfs/dbraw/zinc/13/43/37/230134337.db2.gz LMELYMBVKIPZRN-NSHDSACASA-N 1 0 310.373 3.051 20 5 DGBDRO C[C@H]1C[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000413155923 230140520 /nfs/dbraw/zinc/14/05/20/230140520.db2.gz DGLSXEGIYUEDBE-AAEUAGOBSA-N 1 0 300.362 3.038 20 5 DGBDRO C[C@H](C[NH+]1CCCCCC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000302412654 230236987 /nfs/dbraw/zinc/23/69/87/230236987.db2.gz MUJYEMNBSUUPEX-LLVKDONJSA-N 1 0 312.801 3.320 20 5 DGBDRO C[C@@H]1[NH2+]CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000346687450 264079686 /nfs/dbraw/zinc/07/96/86/264079686.db2.gz VVUBLFXVCAGUQL-STQMWFEESA-N 1 0 315.373 3.037 20 5 DGBDRO COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000346812574 264102017 /nfs/dbraw/zinc/10/20/17/264102017.db2.gz NZCFIEVUXJYNDH-ZFWWWQNUSA-N 1 0 318.373 3.486 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[NH2+]1 ZINC000347051876 264147804 /nfs/dbraw/zinc/14/78/04/264147804.db2.gz RSAKPPROFMPSQB-BETUJISGSA-N 1 0 315.373 3.037 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1[NH3+] ZINC000347140047 264163946 /nfs/dbraw/zinc/16/39/46/264163946.db2.gz VYYBXBCSMFYITF-WFASDCNBSA-N 1 0 315.373 3.024 20 5 DGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000347322305 264196391 /nfs/dbraw/zinc/19/63/91/264196391.db2.gz UXYAIEBBCWXJTR-LRDDRELGSA-N 1 0 323.824 3.307 20 5 DGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000347322307 264196500 /nfs/dbraw/zinc/19/65/00/264196500.db2.gz UXYAIEBBCWXJTR-MLGOLLRUSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC2(CCC2)C1 ZINC000348175009 264357417 /nfs/dbraw/zinc/35/74/17/264357417.db2.gz CMFOCZMUGUFKHX-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO CC[C@H]([NH2+]C[C@H]1CCC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000348641546 264434570 /nfs/dbraw/zinc/43/45/70/264434570.db2.gz LVUQBMGDGMFYSE-ZQIUZPCESA-N 1 0 306.406 3.434 20 5 DGBDRO CCC1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000352384537 265026005 /nfs/dbraw/zinc/02/60/05/265026005.db2.gz WORGOJGYKNANGM-UHFFFAOYSA-N 1 0 308.378 3.234 20 5 DGBDRO [NH3+]CCCN(Cc1c(F)cccc1[N+](=O)[O-])CC1CCCC1 ZINC000352487773 265067134 /nfs/dbraw/zinc/06/71/34/265067134.db2.gz IWUJTWLMIWJBPK-UHFFFAOYSA-N 1 0 309.385 3.075 20 5 DGBDRO C[N@H+](CCCO[C@@H]1CCCCO1)CCc1ccccc1[N+](=O)[O-] ZINC000352560373 265089237 /nfs/dbraw/zinc/08/92/37/265089237.db2.gz DTOCSKWKUMGFLW-QGZVFWFLSA-N 1 0 322.405 3.002 20 5 DGBDRO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000352791299 265169663 /nfs/dbraw/zinc/16/96/63/265169663.db2.gz HPVOUPHJGDMJCD-YOEHRIQHSA-N 1 0 314.389 3.265 20 5 DGBDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000352791830 265169677 /nfs/dbraw/zinc/16/96/77/265169677.db2.gz JGZOKBMKTSGASA-GDBMZVCRSA-N 1 0 314.389 3.265 20 5 DGBDRO CCC[N@H+](CC)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000352994858 265258059 /nfs/dbraw/zinc/25/80/59/265258059.db2.gz XUMXCRRIBLYSCO-UHFFFAOYSA-N 1 0 321.421 3.180 20 5 DGBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353162930 265324369 /nfs/dbraw/zinc/32/43/69/265324369.db2.gz BIYXYBOMWPYVPF-WBVHZDCISA-N 1 0 322.405 3.002 20 5 DGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1-n1ccnn1 ZINC000353408638 265420521 /nfs/dbraw/zinc/42/05/21/265420521.db2.gz UIFGIBPWYPLKAC-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000182806604 432230689 /nfs/dbraw/zinc/23/06/89/432230689.db2.gz TZKFFRQCUOWQMY-HUUCEWRRSA-N 1 0 305.422 3.238 20 5 DGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCC1 ZINC000355609249 266131220 /nfs/dbraw/zinc/13/12/20/266131220.db2.gz QBLAKMGBIPBYSC-UHFFFAOYSA-N 1 0 306.362 3.083 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355873695 266214594 /nfs/dbraw/zinc/21/45/94/266214594.db2.gz PKTGLIOXJYBGMX-UHFFFAOYSA-N 1 0 321.421 3.094 20 5 DGBDRO C[C@@H]1CC[C@@H]([N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO)C1 ZINC000356359937 266366297 /nfs/dbraw/zinc/36/62/97/266366297.db2.gz HUOGQXCCFILLLD-RXBJYRPYSA-N 1 0 304.390 3.091 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000191298158 432247143 /nfs/dbraw/zinc/24/71/43/432247143.db2.gz WXWPMWDXRQBULE-HNNXBMFYSA-N 1 0 319.405 3.400 20 5 DGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000191306972 432248856 /nfs/dbraw/zinc/24/88/56/432248856.db2.gz ZBTBGAMKGAIDQH-ZDUSSCGKSA-N 1 0 316.361 3.313 20 5 DGBDRO CC(C)[NH+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000183020899 432250258 /nfs/dbraw/zinc/25/02/58/432250258.db2.gz RPPYCMCDSXYTQT-UHFFFAOYSA-N 1 0 313.785 3.306 20 5 DGBDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000369139884 271245671 /nfs/dbraw/zinc/24/56/71/271245671.db2.gz MCDFPTXTYPEBGC-HUUCEWRRSA-N 1 0 314.389 3.144 20 5 DGBDRO Cc1ccccc1[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369683634 271309475 /nfs/dbraw/zinc/30/94/75/271309475.db2.gz NPDFEUMFGULXAK-CQSZACIVSA-N 1 0 314.389 3.498 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000370587563 271371806 /nfs/dbraw/zinc/37/18/06/271371806.db2.gz FIBSAKLQFMZVEI-INIZCTEOSA-N 1 0 320.389 3.042 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000372929571 271582899 /nfs/dbraw/zinc/58/28/99/271582899.db2.gz IZUCCOFZAOEKBT-UHFFFAOYSA-N 1 0 311.385 3.445 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295573775 273539989 /nfs/dbraw/zinc/53/99/89/273539989.db2.gz RIZOYBKNLBANGG-UHFFFAOYSA-N 1 0 314.389 3.110 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@H](CO)CC2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000479555334 273587727 /nfs/dbraw/zinc/58/77/27/273587727.db2.gz OEWDBEUYOMTGNK-SUMWQHHRSA-N 1 0 318.417 3.458 20 5 DGBDRO CCC(O)(CC)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433174997 273602325 /nfs/dbraw/zinc/60/23/25/273602325.db2.gz KVFNELZMOONEDB-HNNXBMFYSA-N 1 0 306.406 3.458 20 5 DGBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000279645006 274078343 /nfs/dbraw/zinc/07/83/43/274078343.db2.gz BDRFAEUKBLEPQX-GUYCJALGSA-N 1 0 300.358 3.461 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000076115294 274093781 /nfs/dbraw/zinc/09/37/81/274093781.db2.gz FKJPJDVQMIJXKW-SECBINFHSA-N 1 0 316.304 3.189 20 5 DGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000452004492 274284049 /nfs/dbraw/zinc/28/40/49/274284049.db2.gz HWQFOHKUONFJRJ-LLVKDONJSA-N 1 0 316.361 3.408 20 5 DGBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420219442 274610494 /nfs/dbraw/zinc/61/04/94/274610494.db2.gz QWGKKWXQRDHURW-YUMQZZPRSA-N 1 0 304.177 3.075 20 5 DGBDRO Cc1cc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413539559 274674141 /nfs/dbraw/zinc/67/41/41/274674141.db2.gz UHAGFGOMBHDNPE-UPJWGTAASA-N 1 0 315.373 3.099 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([NH2+]CC2CC2)CC1 ZINC000133690566 275033355 /nfs/dbraw/zinc/03/33/55/275033355.db2.gz SIPUJQTUTJNVCG-UHFFFAOYSA-N 1 0 309.797 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000301057471 275033385 /nfs/dbraw/zinc/03/33/85/275033385.db2.gz BGFJBARHVBQAHF-UHFFFAOYSA-N 1 0 309.797 3.313 20 5 DGBDRO CCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181659278 276025619 /nfs/dbraw/zinc/02/56/19/276025619.db2.gz VKFGEJGMRHOGME-OAHLLOKOSA-N 1 0 324.331 3.201 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000190342470 276053539 /nfs/dbraw/zinc/05/35/39/276053539.db2.gz ACSITQVXCNUOHY-BFYDXBDKSA-N 1 0 304.390 3.375 20 5 DGBDRO CCC[C@]1(CO)CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000288671825 276053671 /nfs/dbraw/zinc/05/36/71/276053671.db2.gz CGTQAHWNXZTHTF-YOEHRIQHSA-N 1 0 306.406 3.449 20 5 DGBDRO COC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272839991 277478737 /nfs/dbraw/zinc/47/87/37/277478737.db2.gz MPWFGEXBXALCMX-UHFFFAOYSA-N 1 0 301.346 3.067 20 5 DGBDRO COC[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290942803 277584388 /nfs/dbraw/zinc/58/43/88/277584388.db2.gz UGJNSVSOWNXYMV-MRVPVSSYSA-N 1 0 307.177 3.274 20 5 DGBDRO CC(C)OCCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447602074 277676717 /nfs/dbraw/zinc/67/67/17/277676717.db2.gz SKSSHCXXPCSTQN-LSDHHAIUSA-N 1 0 324.425 3.070 20 5 DGBDRO COc1cccc(N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000443453028 278015695 /nfs/dbraw/zinc/01/56/95/278015695.db2.gz KVAQHSMNMFIRHW-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000093820394 278036466 /nfs/dbraw/zinc/03/64/66/278036466.db2.gz GSOWYNYBIIQABC-QGZVFWFLSA-N 1 0 304.390 3.331 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCC[C@@H](C)C1 ZINC000449092107 278298847 /nfs/dbraw/zinc/29/88/47/278298847.db2.gz LHRHKMZQOYWXDI-PMPSAXMXSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc[nH]c(=O)c1 ZINC000340446112 278383497 /nfs/dbraw/zinc/38/34/97/278383497.db2.gz JYTZCFYCADIHGD-BZNIZROVSA-N 1 0 313.357 3.424 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293695730 278386902 /nfs/dbraw/zinc/38/69/02/278386902.db2.gz LDGKDJZEEIGEFW-BMIGLBTASA-N 1 0 313.357 3.221 20 5 DGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000280663209 278389905 /nfs/dbraw/zinc/38/99/05/278389905.db2.gz BPBBYVXTQHNGEZ-MLGOLLRUSA-N 1 0 300.362 3.093 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccncn2)CC1 ZINC000297988693 278421537 /nfs/dbraw/zinc/42/15/37/278421537.db2.gz AEVBVRNWZQECKX-ZDUSSCGKSA-N 1 0 312.373 3.325 20 5 DGBDRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000467438040 278503297 /nfs/dbraw/zinc/50/32/97/278503297.db2.gz YMRMDSFCEIVBCU-KBXIAJHMSA-N 1 0 306.410 3.301 20 5 DGBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000297303304 279113974 /nfs/dbraw/zinc/11/39/74/279113974.db2.gz FCBZRMYSQLVPIT-FZKQIMNGSA-N 1 0 319.408 3.340 20 5 DGBDRO C[C@@H]1[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCN1C ZINC000433229409 279126731 /nfs/dbraw/zinc/12/67/31/279126731.db2.gz RDSMPRQXZZDQBH-JLZZUVOBSA-N 1 0 317.433 3.390 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C)CC1 ZINC000068838149 431144739 /nfs/dbraw/zinc/14/47/39/431144739.db2.gz NUNXVOMHXXNNRR-CYBMUJFWSA-N 1 0 319.405 3.354 20 5 DGBDRO C[NH2+]CCC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000070189798 431246673 /nfs/dbraw/zinc/24/66/73/431246673.db2.gz IPNXVGVXFIFZGN-UHFFFAOYSA-N 1 0 311.813 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCC[C@H]3O)o2)cc1 ZINC000074371022 431415368 /nfs/dbraw/zinc/41/53/68/431415368.db2.gz MRPGLIDKSVQURF-HZPDHXFCSA-N 1 0 316.357 3.248 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000009997899 431452220 /nfs/dbraw/zinc/45/22/20/431452220.db2.gz VDZBWUGQGSYJHZ-BETUJISGSA-N 1 0 305.378 3.105 20 5 DGBDRO Cc1c(CN2CC[C@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000075836313 431500152 /nfs/dbraw/zinc/50/01/52/431500152.db2.gz GTLOBMDTWFOGGH-MRXNPFEDSA-N 1 0 317.433 3.211 20 5 DGBDRO Cn1cc(C[NH2+]CCCC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000076768022 431561246 /nfs/dbraw/zinc/56/12/46/431561246.db2.gz LZRRIJPHDHRSOO-UHFFFAOYSA-N 1 0 314.389 3.275 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCCSC1)C1CC1 ZINC000159530435 280374392 /nfs/dbraw/zinc/37/43/92/280374392.db2.gz RKQPQPOWYGXPDH-LSDHHAIUSA-N 1 0 306.431 3.401 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000119272210 431667132 /nfs/dbraw/zinc/66/71/32/431667132.db2.gz LSUADUSWCCNKRN-CVEARBPZSA-N 1 0 318.417 3.463 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000026468705 431676378 /nfs/dbraw/zinc/67/63/78/431676378.db2.gz ALTSKPGOPXCWJN-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000078576320 431684458 /nfs/dbraw/zinc/68/44/58/431684458.db2.gz JPVCSAAEIMQHCH-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO COc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000119398554 431687120 /nfs/dbraw/zinc/68/71/20/431687120.db2.gz PPCJHOLVEUSBEU-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO Cc1cc(N2CCCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181501107 280550173 /nfs/dbraw/zinc/55/01/73/280550173.db2.gz WZVYUIUJGOKMPR-GFCCVEGCSA-N 1 0 301.346 3.067 20 5 DGBDRO CN(C)c1cccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000028386993 431705254 /nfs/dbraw/zinc/70/52/54/431705254.db2.gz SUTOOKKXYBIMPE-UHFFFAOYSA-N 1 0 313.401 3.335 20 5 DGBDRO Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420222921 280587844 /nfs/dbraw/zinc/58/78/44/280587844.db2.gz YNRYLFOSBFHTPN-UWVGGRQHSA-N 1 0 317.311 3.096 20 5 DGBDRO CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000030142362 431731515 /nfs/dbraw/zinc/73/15/15/431731515.db2.gz RYRFJSFPQGTPRG-GFCCVEGCSA-N 1 0 306.362 3.083 20 5 DGBDRO C[C@@H](C1CC1)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000031654379 431761045 /nfs/dbraw/zinc/76/10/45/431761045.db2.gz NKTMRKAPXSPGEH-NSHDSACASA-N 1 0 318.373 3.224 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000121507561 431796522 /nfs/dbraw/zinc/79/65/22/431796522.db2.gz GNNUYAWGFWUGMI-UHFFFAOYSA-N 1 0 317.414 3.021 20 5 DGBDRO CC(C)CCO[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000083246811 431808478 /nfs/dbraw/zinc/80/84/78/431808478.db2.gz SZSLWMXXDPFKGB-QGZVFWFLSA-N 1 0 306.406 3.274 20 5 DGBDRO CC[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000033456216 431814448 /nfs/dbraw/zinc/81/44/48/431814448.db2.gz BZEQVIQSSUQDNM-UHFFFAOYSA-N 1 0 316.357 3.292 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123002096 431851539 /nfs/dbraw/zinc/85/15/39/431851539.db2.gz SNVWNOXXMLRSQW-SCRDCRAPSA-N 1 0 319.405 3.208 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000123191908 431858245 /nfs/dbraw/zinc/85/82/45/431858245.db2.gz NIUFYGHFEGIWST-BETUJISGSA-N 1 0 305.378 3.105 20 5 DGBDRO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1C ZINC000122606908 431839332 /nfs/dbraw/zinc/83/93/32/431839332.db2.gz KNWATDMQGDDCBK-RYUDHWBXSA-N 1 0 316.361 3.123 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000125408296 431923908 /nfs/dbraw/zinc/92/39/08/431923908.db2.gz BERVATRTBPGVEN-QGZVFWFLSA-N 1 0 313.357 3.206 20 5 DGBDRO Cc1ccc(N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000301915145 280862932 /nfs/dbraw/zinc/86/29/32/280862932.db2.gz INUPAUKESWLCLE-UHFFFAOYSA-N 1 0 305.422 3.461 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3C[C@H]4CCC[C@@H]4C3)co2)cc1 ZINC000089909460 431884826 /nfs/dbraw/zinc/88/48/26/431884826.db2.gz PHUNWKYWULEQEP-ZIAGYGMSSA-N 1 0 313.357 3.482 20 5 DGBDRO C[C@]1(O)CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000124760167 431903645 /nfs/dbraw/zinc/90/36/45/431903645.db2.gz NBNGWYQOIVFGMK-FQEVSTJZSA-N 1 0 323.392 3.293 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000124761804 431903713 /nfs/dbraw/zinc/90/37/13/431903713.db2.gz AYGABMXTTKPTNY-JKSUJKDBSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@H](c1ccncc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000127506244 431974122 /nfs/dbraw/zinc/97/41/22/431974122.db2.gz DNJCEXZZYOTEIY-CYBMUJFWSA-N 1 0 301.346 3.062 20 5 DGBDRO CCC[N@H+](CC)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127573984 431976056 /nfs/dbraw/zinc/97/60/56/431976056.db2.gz OHJGAXQLXLVYDD-UHFFFAOYSA-N 1 0 322.409 3.065 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127609035 431976759 /nfs/dbraw/zinc/97/67/59/431976759.db2.gz YHDAFQJVGQIMKD-LBPRGKRZSA-N 1 0 322.409 3.063 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963833 431945490 /nfs/dbraw/zinc/94/54/90/431945490.db2.gz ALOWVJMLTLNUTQ-GFCCVEGCSA-N 1 0 311.813 3.068 20 5 DGBDRO CC(=O)c1ccc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052160002 431955157 /nfs/dbraw/zinc/95/51/57/431955157.db2.gz MVHIVOJXHJULQP-STQMWFEESA-N 1 0 319.405 3.330 20 5 DGBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000052447721 431955941 /nfs/dbraw/zinc/95/59/41/431955941.db2.gz MLRIECCHLGCVHI-UHFFFAOYSA-N 1 0 312.373 3.066 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000122318228 280981360 /nfs/dbraw/zinc/98/13/60/280981360.db2.gz MGUISCDWECGKNI-WFASDCNBSA-N 1 0 314.389 3.365 20 5 DGBDRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053123327 431960153 /nfs/dbraw/zinc/96/01/53/431960153.db2.gz WERLUIVJANOYQS-UHFFFAOYSA-N 1 0 307.394 3.338 20 5 DGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000191599171 432280898 /nfs/dbraw/zinc/28/08/98/432280898.db2.gz IIYNJVJXZSXCQM-WMLDXEAASA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000191605808 432283041 /nfs/dbraw/zinc/28/30/41/432283041.db2.gz LCLVDSKYAFSFTL-WMLDXEAASA-N 1 0 314.385 3.157 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCOC1 ZINC000271062730 432325567 /nfs/dbraw/zinc/32/55/67/432325567.db2.gz CJIKRNPDBANOCP-ZIAGYGMSSA-N 1 0 324.446 3.482 20 5 DGBDRO CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000248899436 432327720 /nfs/dbraw/zinc/32/77/20/432327720.db2.gz PIEYCNWWGWLZIQ-KGLIPLIRSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000249192047 432341293 /nfs/dbraw/zinc/34/12/93/432341293.db2.gz ACSITQVXCNUOHY-ZMSDIMECSA-N 1 0 304.390 3.375 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCCOCC2CC2)cc1[N+](=O)[O-] ZINC000271167106 432342261 /nfs/dbraw/zinc/34/22/61/432342261.db2.gz SXYVRORNKCAAHV-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000249514654 432350096 /nfs/dbraw/zinc/35/00/96/432350096.db2.gz BEQLNGSPNIGSKN-NJZAAPMLSA-N 1 0 319.405 3.256 20 5 DGBDRO CC[C@@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H]1O ZINC000270932687 432304713 /nfs/dbraw/zinc/30/47/13/432304713.db2.gz QJTLJEOQOUCSGF-CXAGYDPISA-N 1 0 323.392 3.149 20 5 DGBDRO Cc1nccn1CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270951214 432306740 /nfs/dbraw/zinc/30/67/40/432306740.db2.gz XMLYEEKNQSBHMC-UHFFFAOYSA-N 1 0 314.389 3.154 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)C1CC1 ZINC000251863534 432372221 /nfs/dbraw/zinc/37/22/21/432372221.db2.gz OKTWZUJMUCIROY-CUSZFKRNSA-N 1 0 316.401 3.073 20 5 DGBDRO COc1cccc2c1CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000192445140 432374799 /nfs/dbraw/zinc/37/47/99/432374799.db2.gz KDHNRHANZXNARS-HNNXBMFYSA-N 1 0 312.369 3.251 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC000174843924 432375626 /nfs/dbraw/zinc/37/56/26/432375626.db2.gz RRYNGQUNMQJUDI-INIZCTEOSA-N 1 0 314.389 3.061 20 5 DGBDRO CC(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000252153245 432375777 /nfs/dbraw/zinc/37/57/77/432375777.db2.gz MVHIVOJXHJULQP-QWHCGFSZSA-N 1 0 319.405 3.330 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000192455923 432376700 /nfs/dbraw/zinc/37/67/00/432376700.db2.gz WAAVBANNXQMHOJ-ZDUSSCGKSA-N 1 0 318.402 3.128 20 5 DGBDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174878241 432377478 /nfs/dbraw/zinc/37/74/78/432377478.db2.gz ATFGGHQBXOGDNK-BLLLJJGKSA-N 1 0 318.352 3.014 20 5 DGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cc2ccccc2s1 ZINC000184360056 432383068 /nfs/dbraw/zinc/38/30/68/432383068.db2.gz KFKWQFIGOWJRHU-LLVKDONJSA-N 1 0 316.386 3.357 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000153148383 432386657 /nfs/dbraw/zinc/38/66/57/432386657.db2.gz SSRUJDDIWPPIQN-OCCSQVGLSA-N 1 0 310.394 3.051 20 5 DGBDRO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000271425153 432392536 /nfs/dbraw/zinc/39/25/36/432392536.db2.gz CNSFMBLZKDICLW-ZBEGNZNMSA-N 1 0 304.321 3.118 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000175058532 432393357 /nfs/dbraw/zinc/39/33/57/432393357.db2.gz ZLJUGMDDCSMIIY-LBPRGKRZSA-N 1 0 323.393 3.079 20 5 DGBDRO CC(C)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000193045569 432442011 /nfs/dbraw/zinc/44/20/11/432442011.db2.gz VTZGISYXHPEJFD-UHFFFAOYSA-N 1 0 302.334 3.018 20 5 DGBDRO CC(C)(C)C[C@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193035554 432442433 /nfs/dbraw/zinc/44/24/33/432442433.db2.gz KYZWHRKGADEFFJ-CJNGLKHVSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000184591876 432409788 /nfs/dbraw/zinc/40/97/88/432409788.db2.gz QYNFHTMFCFCCQC-RISCZKNCSA-N 1 0 316.361 3.313 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000192800916 432416342 /nfs/dbraw/zinc/41/63/42/432416342.db2.gz WIXBJPGKAPFSBF-GXTWGEPZSA-N 1 0 319.405 3.400 20 5 DGBDRO CC(C)C[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153557634 432418428 /nfs/dbraw/zinc/41/84/28/432418428.db2.gz QVJCVQGPQNATQQ-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000184709461 432423635 /nfs/dbraw/zinc/42/36/35/432423635.db2.gz ZDWRLYFLTBXZQS-WFASDCNBSA-N 1 0 319.405 3.142 20 5 DGBDRO COc1cccc(NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000185148293 432471970 /nfs/dbraw/zinc/47/19/70/432471970.db2.gz OYVCFLPLTVTFIB-UHFFFAOYSA-N 1 0 307.394 3.136 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](CC)CCO)cc1[N+](=O)[O-] ZINC000154196056 432481541 /nfs/dbraw/zinc/48/15/41/432481541.db2.gz SEBLTCDOKDQWPX-OLZOCXBDSA-N 1 0 310.394 3.053 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccc(O)c1)C1CC1 ZINC000154397407 432496458 /nfs/dbraw/zinc/49/64/58/432496458.db2.gz OAHPUNANXZRBPQ-KRWDZBQOSA-N 1 0 312.369 3.411 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCCC[C@H]2c2ccccc2)n1 ZINC000176212416 432501850 /nfs/dbraw/zinc/50/18/50/432501850.db2.gz CSQHHUZIFGKYTF-INIZCTEOSA-N 1 0 314.389 3.409 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000154542685 432505330 /nfs/dbraw/zinc/50/53/30/432505330.db2.gz TYBNKRQYSSIUSZ-GJZGRUSLSA-N 1 0 306.387 3.431 20 5 DGBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000273120714 432553730 /nfs/dbraw/zinc/55/37/30/432553730.db2.gz ZHNWMLVUFYYPGK-GJZGRUSLSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000155541436 432560613 /nfs/dbraw/zinc/56/06/13/432560613.db2.gz DTEATAIAIUWCGL-CQSZACIVSA-N 1 0 319.405 3.038 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCCO)c2ccccc2)c1 ZINC000194213199 432533317 /nfs/dbraw/zinc/53/33/17/432533317.db2.gz LBDMYMBTGKTRJC-KRWDZBQOSA-N 1 0 300.358 3.046 20 5 DGBDRO CN1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000155216925 432543903 /nfs/dbraw/zinc/54/39/03/432543903.db2.gz BSBBMPIGTDSINR-HNNXBMFYSA-N 1 0 317.414 3.145 20 5 DGBDRO C[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO[C@@H]1C1CC1 ZINC000273073409 432546648 /nfs/dbraw/zinc/54/66/48/432546648.db2.gz OUQZPHUBNYBDCM-HUUCEWRRSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCOC3)s2)cc1 ZINC000263825764 432582694 /nfs/dbraw/zinc/58/26/94/432582694.db2.gz SCCLUEWDDGMSCE-LBPRGKRZSA-N 1 0 318.398 3.449 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCC(C)CC1 ZINC000156003159 432586451 /nfs/dbraw/zinc/58/64/51/432586451.db2.gz OMMJCEQLRBEDJO-OAHLLOKOSA-N 1 0 305.422 3.286 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000186395127 432591442 /nfs/dbraw/zinc/59/14/42/432591442.db2.gz UUFAZYDFOMDFFE-PBHICJAKSA-N 1 0 322.405 3.157 20 5 DGBDRO C[C@H]([N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(C)CC1 ZINC000177252822 432604761 /nfs/dbraw/zinc/60/47/61/432604761.db2.gz ZPXAGDNJGXCOPY-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO COc1cc(C[N@@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000187516973 432666672 /nfs/dbraw/zinc/66/66/72/432666672.db2.gz UXDXMVPESQIQJU-LBPRGKRZSA-N 1 0 308.378 3.234 20 5 DGBDRO CC(C)(CCCO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000221381744 432668439 /nfs/dbraw/zinc/66/84/39/432668439.db2.gz DQMVJCBSEJYKKH-UHFFFAOYSA-N 1 0 300.786 3.137 20 5 DGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274687280 432698428 /nfs/dbraw/zinc/69/84/28/432698428.db2.gz LLWKEEAPGWVSPP-OLZOCXBDSA-N 1 0 321.421 3.247 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265578171 432710806 /nfs/dbraw/zinc/71/08/06/432710806.db2.gz VYJTVFITQICJNO-NSHDSACASA-N 1 0 312.801 3.176 20 5 DGBDRO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178256979 432712418 /nfs/dbraw/zinc/71/24/18/432712418.db2.gz JXYXXRZEGPBRRG-ZDUSSCGKSA-N 1 0 303.406 3.120 20 5 DGBDRO C[C@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000265652841 432719848 /nfs/dbraw/zinc/71/98/48/432719848.db2.gz OEAAMHXKXIXKHA-LLVKDONJSA-N 1 0 306.387 3.184 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160455675 432721509 /nfs/dbraw/zinc/72/15/09/432721509.db2.gz JEAHENDYSSILNI-CQSZACIVSA-N 1 0 307.369 3.189 20 5 DGBDRO Cc1cc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000274953141 432722782 /nfs/dbraw/zinc/72/27/82/432722782.db2.gz VKIBDQBHTTXFAP-UHFFFAOYSA-N 1 0 313.357 3.346 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000177960388 432678736 /nfs/dbraw/zinc/67/87/36/432678736.db2.gz CLYOTPGTCBAUAV-NWDGAFQWSA-N 1 0 302.378 3.357 20 5 DGBDRO C[NH+](C)CCc1ccccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000275873640 432756883 /nfs/dbraw/zinc/75/68/83/432756883.db2.gz QBWDLHCTAVTIEZ-UHFFFAOYSA-N 1 0 319.386 3.013 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2CC)cc1[N+](=O)[O-] ZINC000245508525 432838304 /nfs/dbraw/zinc/83/83/04/432838304.db2.gz SBQJVWXETDXHSX-UKRRQHHQSA-N 1 0 321.421 3.128 20 5 DGBDRO CCC(O)(CC)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000276271310 432791393 /nfs/dbraw/zinc/79/13/93/432791393.db2.gz VBPVWGYELJCBRV-UHFFFAOYSA-N 1 0 300.786 3.279 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266917881 432797383 /nfs/dbraw/zinc/79/73/83/432797383.db2.gz GSRNZKZRPHTOEY-CYBMUJFWSA-N 1 0 323.824 3.166 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCOC2)o1 ZINC000237956246 432806119 /nfs/dbraw/zinc/80/61/19/432806119.db2.gz CSQYVYHYOOCOKQ-ZDUSSCGKSA-N 1 0 316.357 3.371 20 5 DGBDRO C[N@H+](CCCCO)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000276430609 432807684 /nfs/dbraw/zinc/80/76/84/432807684.db2.gz SAGBOSLAOJWKSY-UHFFFAOYSA-N 1 0 311.381 3.151 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccccc2-n2cccn2)c1 ZINC000237992101 432808415 /nfs/dbraw/zinc/80/84/15/432808415.db2.gz VXDVRAUIVDBXHO-UHFFFAOYSA-N 1 0 308.341 3.070 20 5 DGBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000189666018 432808605 /nfs/dbraw/zinc/80/86/05/432808605.db2.gz IGPFRJUBZQSCNA-KRWDZBQOSA-N 1 0 322.405 3.119 20 5 DGBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000268269203 432860017 /nfs/dbraw/zinc/86/00/17/432860017.db2.gz TZDHLWKSRQWUJW-NSHDSACASA-N 1 0 312.801 3.033 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000268364479 432866157 /nfs/dbraw/zinc/86/61/57/432866157.db2.gz UTVDWPSZVFGMCB-NHYWBVRUSA-N 1 0 306.362 3.130 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245917691 432870149 /nfs/dbraw/zinc/87/01/49/432870149.db2.gz NKFANDNQQBTCIX-OLZOCXBDSA-N 1 0 319.405 3.210 20 5 DGBDRO Cc1cc(N[C@H](C)CCCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000296317510 432896197 /nfs/dbraw/zinc/89/61/97/432896197.db2.gz OCWNZPDCNIQYAB-LLVKDONJSA-N 1 0 303.362 3.414 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC=CO2)cc(C(F)(F)F)c1 ZINC000278401786 432893783 /nfs/dbraw/zinc/89/37/83/432893783.db2.gz BQJAEPPQSNATBS-CYBMUJFWSA-N 1 0 316.279 3.396 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000245543021 432841550 /nfs/dbraw/zinc/84/15/50/432841550.db2.gz LOHRDBLBSQVGJI-HLLBOEOZSA-N 1 0 318.417 3.322 20 5 DGBDRO Cc1n[nH]cc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278969703 432923332 /nfs/dbraw/zinc/92/33/32/432923332.db2.gz BYHUKZQFEWPLNF-OAHLLOKOSA-N 1 0 300.362 3.139 20 5 DGBDRO CC(C)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330680309 432925251 /nfs/dbraw/zinc/92/52/51/432925251.db2.gz YKDGLYRCUKRESL-DZGCQCFKSA-N 1 0 305.422 3.291 20 5 DGBDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000296912054 432938658 /nfs/dbraw/zinc/93/86/58/432938658.db2.gz WIWKIBLGAMDRLF-YCPHGPKFSA-N 1 0 314.389 3.058 20 5 DGBDRO C[C@@H](CCCCO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296348816 432898666 /nfs/dbraw/zinc/89/86/66/432898666.db2.gz IEECMFUSQBEVLP-XJKSGUPXSA-N 1 0 306.406 3.057 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000278812813 432904297 /nfs/dbraw/zinc/90/42/97/432904297.db2.gz YSVPIXLVKXXKGN-YGRLFVJLSA-N 1 0 320.418 3.091 20 5 DGBDRO Cc1noc([C@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000332080975 432971101 /nfs/dbraw/zinc/97/11/01/432971101.db2.gz KXUUVWLDBUNEOB-YPMHNXCESA-N 1 0 316.361 3.145 20 5 DGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CC=CCC1 ZINC000332137624 432977690 /nfs/dbraw/zinc/97/76/90/432977690.db2.gz JSIVWNJNVZIQDH-ZDUSSCGKSA-N 1 0 318.373 3.249 20 5 DGBDRO CC(C)(O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000290054188 432984929 /nfs/dbraw/zinc/98/49/29/432984929.db2.gz JYWMZJJOQVUCRU-UHFFFAOYSA-N 1 0 314.385 3.155 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCS[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000332257240 432992096 /nfs/dbraw/zinc/99/20/96/432992096.db2.gz ZQZZBTKKIKOANM-GFCCVEGCSA-N 1 0 310.419 3.321 20 5 DGBDRO CC1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000279830862 432993150 /nfs/dbraw/zinc/99/31/50/432993150.db2.gz ZKUKYJQMNWLKFL-UHFFFAOYSA-N 1 0 321.402 3.454 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000289443329 432961870 /nfs/dbraw/zinc/96/18/70/432961870.db2.gz METNCTVWDHQYPB-INIZCTEOSA-N 1 0 320.776 3.462 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000290320254 433030402 /nfs/dbraw/zinc/03/04/02/433030402.db2.gz CXOZTVILDCBEJH-BMGDILEWSA-N 1 0 310.353 3.031 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000280368757 433042149 /nfs/dbraw/zinc/04/21/49/433042149.db2.gz VBGUHWBLLUBYGG-KRWDZBQOSA-N 1 0 322.405 3.385 20 5 DGBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000280504038 433062236 /nfs/dbraw/zinc/06/22/36/433062236.db2.gz GIDVVPWTKJWFBC-NOZJJQNGSA-N 1 0 318.295 3.128 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@](C)(CC)OC)cc1[N+](=O)[O-] ZINC000453308166 433078107 /nfs/dbraw/zinc/07/81/07/433078107.db2.gz WBOGFODDISEURI-BLLLJJGKSA-N 1 0 310.394 3.459 20 5 DGBDRO CN(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000446738083 433095005 /nfs/dbraw/zinc/09/50/05/433095005.db2.gz DPVGUESXUNAZLG-UHFFFAOYSA-N 1 0 311.385 3.089 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000354458610 433096913 /nfs/dbraw/zinc/09/69/13/433096913.db2.gz QGYWFENSUBZDBX-HOTGVXAUSA-N 1 0 322.405 3.239 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000354524256 433125245 /nfs/dbraw/zinc/12/52/45/433125245.db2.gz FPJNWGSHCKOCKT-ZDUSSCGKSA-N 1 0 320.389 3.234 20 5 DGBDRO Cc1ccc([C@@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000453381071 433135681 /nfs/dbraw/zinc/13/56/81/433135681.db2.gz RDYBBYWOAHQBPQ-RHSMWYFYSA-N 1 0 304.390 3.467 20 5 DGBDRO C[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000373233091 433138656 /nfs/dbraw/zinc/13/86/56/433138656.db2.gz SCEOWQWYOIFIPW-CQSZACIVSA-N 1 0 314.389 3.232 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000453390207 433142511 /nfs/dbraw/zinc/14/25/11/433142511.db2.gz YCDIDMCPXYZKDA-JKDFXYPNSA-N 1 0 322.405 3.458 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000453390211 433144253 /nfs/dbraw/zinc/14/42/53/433144253.db2.gz YCDIDMCPXYZKDA-XWCIJXRUSA-N 1 0 322.405 3.458 20 5 DGBDRO Cc1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000341577712 433146647 /nfs/dbraw/zinc/14/66/47/433146647.db2.gz SGMHTWDXBFPRQA-UHFFFAOYSA-N 1 0 306.387 3.476 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)[C@H](C)O ZINC000453334141 433100948 /nfs/dbraw/zinc/10/09/48/433100948.db2.gz JHLUURNIWJDVTQ-XQQFMLRXSA-N 1 0 312.435 3.215 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000298351747 433105185 /nfs/dbraw/zinc/10/51/85/433105185.db2.gz JTSFHTDHLOKMDS-HPEDKQMDSA-N 1 0 310.419 3.154 20 5 DGBDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446838877 433116409 /nfs/dbraw/zinc/11/64/09/433116409.db2.gz MYUNTKDOOPJYKZ-STQMWFEESA-N 1 0 302.378 3.385 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000453414157 433167292 /nfs/dbraw/zinc/16/72/92/433167292.db2.gz SRPKPNIXXWONSP-MBNYWOFBSA-N 1 0 308.378 3.212 20 5 DGBDRO C[C@H](CN1CCCCC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447529748 433212223 /nfs/dbraw/zinc/21/22/23/433212223.db2.gz MLPCUTBJPWVJEG-RDTXWAMCSA-N 1 0 317.433 3.436 20 5 DGBDRO C[C@H](CCCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290934374 433212424 /nfs/dbraw/zinc/21/24/24/433212424.db2.gz SKAFCWNDWCMBDY-MRVPVSSYSA-N 1 0 307.177 3.152 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1CCOCC1)CCC2 ZINC000447526042 433214711 /nfs/dbraw/zinc/21/47/11/433214711.db2.gz CATGWUPGOQDOPZ-QGZVFWFLSA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@H]1CCCN(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447550285 433221136 /nfs/dbraw/zinc/22/11/36/433221136.db2.gz NAKPTNGDLQGMHO-KBXCAEBGSA-N 1 0 317.433 3.294 20 5 DGBDRO CCC[N@H+](CC)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447563610 433225863 /nfs/dbraw/zinc/22/58/63/433225863.db2.gz RBOLJTSFSBUXNA-QGZVFWFLSA-N 1 0 305.422 3.294 20 5 DGBDRO CCC[N@H+](CC)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447563609 433226933 /nfs/dbraw/zinc/22/69/33/433226933.db2.gz RBOLJTSFSBUXNA-KRWDZBQOSA-N 1 0 305.422 3.294 20 5 DGBDRO CC(C)[NH+]1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000298737953 433233587 /nfs/dbraw/zinc/23/35/87/433233587.db2.gz QLXUWTCQNNVTAS-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000374733661 433269309 /nfs/dbraw/zinc/26/93/09/433269309.db2.gz GTCNUCXDVSJEPM-KRWDZBQOSA-N 1 0 322.368 3.392 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1C ZINC000413216669 433265392 /nfs/dbraw/zinc/26/53/92/433265392.db2.gz UNGUURAPBANKLH-QWHCGFSZSA-N 1 0 314.389 3.062 20 5 DGBDRO CCc1nc(C)c(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000291653411 433301162 /nfs/dbraw/zinc/30/11/62/433301162.db2.gz CZNDFIBUWXLNBW-SOFGYWHQSA-N 1 0 301.346 3.257 20 5 DGBDRO Cc1cc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338644611 433310947 /nfs/dbraw/zinc/31/09/47/433310947.db2.gz HPYWQBUNGCDJRS-VIFPVBQESA-N 1 0 305.300 3.284 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000448026875 433349776 /nfs/dbraw/zinc/34/97/76/433349776.db2.gz KGHYBPOQJGFRMM-CJNGLKHVSA-N 1 0 305.422 3.366 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000291828641 433363725 /nfs/dbraw/zinc/36/37/25/433363725.db2.gz ZZRYKVSKWNMPGL-CQSZACIVSA-N 1 0 315.348 3.102 20 5 DGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000339190686 433428099 /nfs/dbraw/zinc/42/80/99/433428099.db2.gz YPWOIOYHNFIBQD-GFCCVEGCSA-N 1 0 318.295 3.224 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](OCC)C2)cc1[N+](=O)[O-] ZINC000414153143 433428647 /nfs/dbraw/zinc/42/86/47/433428647.db2.gz YPCDTLBKAZAXKH-BNOWGMLFSA-N 1 0 308.378 3.212 20 5 DGBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccsc1 ZINC000421012818 433387552 /nfs/dbraw/zinc/38/75/52/433387552.db2.gz QPBVCJKLXLDFOA-GFCCVEGCSA-N 1 0 308.407 3.324 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000414129281 433412880 /nfs/dbraw/zinc/41/28/80/433412880.db2.gz HYGHQWJVJWATFQ-LBPRGKRZSA-N 1 0 315.373 3.028 20 5 DGBDRO C[C@H]1CCC[N@H+](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301125043 433424409 /nfs/dbraw/zinc/42/44/09/433424409.db2.gz ZQRWWGRFBJYBEM-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[N@H+](CCC1CC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000355053925 433439522 /nfs/dbraw/zinc/43/95/22/433439522.db2.gz BPFPXBAYMXXYOJ-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1c(C[N@@H+](C)CC2(O)CCCCCC2)cccc1[N+](=O)[O-] ZINC000426216855 433440740 /nfs/dbraw/zinc/44/07/40/433440740.db2.gz VMAAGZOYULMBLK-UHFFFAOYSA-N 1 0 306.406 3.420 20 5 DGBDRO Cc1ccoc1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000426294113 433458439 /nfs/dbraw/zinc/45/84/39/433458439.db2.gz ISARUNJODGHLLK-LBPRGKRZSA-N 1 0 317.345 3.003 20 5 DGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414241750 433477267 /nfs/dbraw/zinc/47/72/67/433477267.db2.gz PBFDPLBYVANFFY-AHIWAGSCSA-N 1 0 306.406 3.319 20 5 DGBDRO Cc1ccnc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000301282528 433484589 /nfs/dbraw/zinc/48/45/89/433484589.db2.gz KNTAGWQTDXJYMK-CQSZACIVSA-N 1 0 314.389 3.231 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H](O)C(C)C ZINC000414286171 433514568 /nfs/dbraw/zinc/51/45/68/433514568.db2.gz CKRCWUJNOHWJOE-ULQDDVLXSA-N 1 0 306.406 3.357 20 5 DGBDRO COc1cc(NC[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301372802 433526489 /nfs/dbraw/zinc/52/64/89/433526489.db2.gz UENYFDUXLBBENR-MRXNPFEDSA-N 1 0 315.373 3.318 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000342130314 433486540 /nfs/dbraw/zinc/48/65/40/433486540.db2.gz NXJRQXYOGUTEGW-HNNXBMFYSA-N 1 0 319.405 3.474 20 5 DGBDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C)O1 ZINC000414252105 433488743 /nfs/dbraw/zinc/48/87/43/433488743.db2.gz HLWUEYYNPODUMJ-GNNTXSLPSA-N 1 0 304.390 3.375 20 5 DGBDRO Cc1ccnc(NCCCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301300298 433499069 /nfs/dbraw/zinc/49/90/69/433499069.db2.gz QQSHFZJUGNZEQY-CYBMUJFWSA-N 1 0 306.410 3.222 20 5 DGBDRO COc1ccc(C[NH2+]CC2(C)CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000355165116 433504565 /nfs/dbraw/zinc/50/45/65/433504565.db2.gz ZLOOVVKTUMQTFR-UHFFFAOYSA-N 1 0 322.405 3.288 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)n2)c1 ZINC000426466664 433506555 /nfs/dbraw/zinc/50/65/55/433506555.db2.gz GVLNCMBZGJLAIZ-RISCZKNCSA-N 1 0 314.345 3.019 20 5 DGBDRO COc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000342227447 433551367 /nfs/dbraw/zinc/55/13/67/433551367.db2.gz HLXACYXSFMYDMU-UHFFFAOYSA-N 1 0 301.346 3.023 20 5 DGBDRO Cc1cc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301432534 433553714 /nfs/dbraw/zinc/55/37/14/433553714.db2.gz PKENCUBBYVTNFA-LRDDRELGSA-N 1 0 306.410 3.221 20 5 DGBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000362158943 433555438 /nfs/dbraw/zinc/55/54/38/433555438.db2.gz AZAUOMFQTGZQJM-HUUCEWRRSA-N 1 0 322.405 3.111 20 5 DGBDRO CCOc1cc(N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301438680 433555745 /nfs/dbraw/zinc/55/57/45/433555745.db2.gz LEKXNXCTNCDANI-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000301438863 433557028 /nfs/dbraw/zinc/55/70/28/433557028.db2.gz LMNFQALPUOBJDY-KBPBESRZSA-N 1 0 321.421 3.203 20 5 DGBDRO Cc1cc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301450654 433561814 /nfs/dbraw/zinc/56/18/14/433561814.db2.gz TZVCCSOQYRORBT-GFCCVEGCSA-N 1 0 306.410 3.221 20 5 DGBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000351544895 433566648 /nfs/dbraw/zinc/56/66/48/433566648.db2.gz OHQAPJJNHFWWCP-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO Cc1ccc([C@@H](CNc2ncc(C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000301468474 433569027 /nfs/dbraw/zinc/56/90/27/433569027.db2.gz ZEPDQIWBDSJBDM-MRXNPFEDSA-N 1 0 314.389 3.321 20 5 DGBDRO CSC[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000292504654 433569790 /nfs/dbraw/zinc/56/97/90/433569790.db2.gz UXMZSHQCBPRZEF-CYBMUJFWSA-N 1 0 310.419 3.049 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000162322133 292851673 /nfs/dbraw/zinc/85/16/73/292851673.db2.gz FBPJQOFUFXRUBG-TZMCWYRMSA-N 1 0 308.378 3.151 20 5 DGBDRO CC1(C)CCC[C@]1(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000339463847 433601611 /nfs/dbraw/zinc/60/16/11/433601611.db2.gz DHCDATMWCOGMCP-JZLODUJNSA-N 1 0 304.390 3.139 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283151211 433679132 /nfs/dbraw/zinc/67/91/32/433679132.db2.gz CJKJPZQGUNRCOX-OLZOCXBDSA-N 1 0 305.378 3.186 20 5 DGBDRO CC(C)[C@@H]1[N@H+](Cc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414523381 433686482 /nfs/dbraw/zinc/68/64/82/433686482.db2.gz GODRGBIPUYUBCJ-INIZCTEOSA-N 1 0 304.390 3.232 20 5 DGBDRO C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000366882760 293000063 /nfs/dbraw/zinc/00/00/63/293000063.db2.gz MCLJOORHKLECGY-GOEBONIOSA-N 1 0 314.389 3.059 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000373762970 293314062 /nfs/dbraw/zinc/31/40/62/293314062.db2.gz KYKFNPKNFSWEHL-UHFFFAOYSA-N 1 0 320.389 3.185 20 5 DGBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000414550333 433712434 /nfs/dbraw/zinc/71/24/34/433712434.db2.gz DAIWFOBHXKGVIM-YJBOKZPZSA-N 1 0 312.369 3.497 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000374494573 293407792 /nfs/dbraw/zinc/40/77/92/293407792.db2.gz DZPZMPSEFTWKTB-VMGRFDJRSA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000374494572 293407934 /nfs/dbraw/zinc/40/79/34/293407934.db2.gz DZPZMPSEFTWKTB-SRCQZFHVSA-N 1 0 304.390 3.073 20 5 DGBDRO CCCC[N@H+](C)CC1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283638677 433754194 /nfs/dbraw/zinc/75/41/94/433754194.db2.gz UMRNYYRYAJAZEM-UHFFFAOYSA-N 1 0 320.437 3.125 20 5 DGBDRO CC(C)(c1nc(C2([NH3+])CCCC2)no1)c1ccccc1[N+](=O)[O-] ZINC000414631422 433763470 /nfs/dbraw/zinc/76/34/70/433763470.db2.gz XDQNNLJBNJXZFC-UHFFFAOYSA-N 1 0 316.361 3.032 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@H]2CO)o1 ZINC000449706010 433764434 /nfs/dbraw/zinc/76/44/34/433764434.db2.gz LTFUBQMJZWOSNY-WFASDCNBSA-N 1 0 316.357 3.105 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000293516895 433767683 /nfs/dbraw/zinc/76/76/83/433767683.db2.gz ARMPJLGTVKHFKL-KRWDZBQOSA-N 1 0 316.401 3.294 20 5 DGBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301790105 433723794 /nfs/dbraw/zinc/72/37/94/433723794.db2.gz NKTVWIOAYULWFS-NSHDSACASA-N 1 0 313.348 3.263 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN(CCO)CC1CCCCC1 ZINC000362596871 433776697 /nfs/dbraw/zinc/77/66/97/433776697.db2.gz RLSGNOAHDUDINS-UHFFFAOYSA-N 1 0 310.369 3.109 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC000430228611 433788555 /nfs/dbraw/zinc/78/85/55/433788555.db2.gz SNAYPAQKXWJHRP-JKSUJKDBSA-N 1 0 322.405 3.239 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000430204624 433790392 /nfs/dbraw/zinc/79/03/92/433790392.db2.gz RWKHAHVDPAJZMP-ZBFHGGJFSA-N 1 0 322.430 3.463 20 5 DGBDRO C[C@@H]([NH2+]CCCOC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293653474 433815453 /nfs/dbraw/zinc/81/54/53/433815453.db2.gz IRDJTAYTWXPVFL-GFCCVEGCSA-N 1 0 307.394 3.177 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000302557995 433825428 /nfs/dbraw/zinc/82/54/28/433825428.db2.gz YTLOXZBLPXECJV-HNNXBMFYSA-N 1 0 303.406 3.358 20 5 DGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1c(Cl)cccc1[N+](=O)[O-] ZINC000432158369 433821385 /nfs/dbraw/zinc/82/13/85/433821385.db2.gz VXSFTHSRYMWNDT-RYUDHWBXSA-N 1 0 309.797 3.311 20 5 DGBDRO C[C@@H](C1CCC1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357024385 433828425 /nfs/dbraw/zinc/82/84/25/433828425.db2.gz MXIRUUCCHNVLCH-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284097740 433837943 /nfs/dbraw/zinc/83/79/43/433837943.db2.gz MQJSAEZIRMAANY-NEPJUHHUSA-N 1 0 315.373 3.081 20 5 DGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000293724292 433841531 /nfs/dbraw/zinc/84/15/31/433841531.db2.gz VXKISHFFPRDUJF-CYBMUJFWSA-N 1 0 300.358 3.064 20 5 DGBDRO CC(C)[C@@H]([NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414796730 433843862 /nfs/dbraw/zinc/84/38/62/433843862.db2.gz OOPNPQDWEDABEK-HNNXBMFYSA-N 1 0 319.430 3.396 20 5 DGBDRO CN(C)[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433160612 433844004 /nfs/dbraw/zinc/84/40/04/433844004.db2.gz WAZJJIJEXFBMQD-IAGOWNOFSA-N 1 0 317.433 3.247 20 5 DGBDRO CN(C)C(C)(C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433148552 433844347 /nfs/dbraw/zinc/84/43/47/433844347.db2.gz GUZOBTNDTRABNT-HNNXBMFYSA-N 1 0 305.422 3.247 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433304380 433849009 /nfs/dbraw/zinc/84/90/09/433849009.db2.gz NAJSTNWUXWEEHD-IXDOHACOSA-N 1 0 316.401 3.474 20 5 DGBDRO CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C)CO ZINC000293748049 433855915 /nfs/dbraw/zinc/85/59/15/433855915.db2.gz WNDGIPKQAOWKNW-LBPRGKRZSA-N 1 0 304.346 3.058 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CNc1ccncc1Br ZINC000362809222 433869499 /nfs/dbraw/zinc/86/94/99/433869499.db2.gz PPXIGRWHBVMFHS-UHFFFAOYSA-N 1 0 322.162 3.095 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3C3CC3)n2)cc1 ZINC000377546763 433912992 /nfs/dbraw/zinc/91/29/92/433912992.db2.gz VJXLLKLUQXSSRW-CQSZACIVSA-N 1 0 314.345 3.019 20 5 DGBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000362849648 433885101 /nfs/dbraw/zinc/88/51/01/433885101.db2.gz DBGXIUOUDFPSLD-UONOGXRCSA-N 1 0 314.389 3.015 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000284335419 433886984 /nfs/dbraw/zinc/88/69/84/433886984.db2.gz BVIPFAMGFDLAQO-LSDHHAIUSA-N 1 0 310.781 3.392 20 5 DGBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000377652999 433944974 /nfs/dbraw/zinc/94/49/74/433944974.db2.gz LUBAZGUXQWDLRQ-OAHLLOKOSA-N 1 0 312.797 3.089 20 5 DGBDRO CC(C)[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000352189100 433967348 /nfs/dbraw/zinc/96/73/48/433967348.db2.gz BZURZKVWOAONSS-OAHLLOKOSA-N 1 0 323.368 3.183 20 5 DGBDRO Cc1cn2c(n1)[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000377830945 434010300 /nfs/dbraw/zinc/01/03/00/434010300.db2.gz IOLBNUATMNVYBE-HNNXBMFYSA-N 1 0 314.389 3.075 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000357552077 434075269 /nfs/dbraw/zinc/07/52/69/434075269.db2.gz JZYWHUZWROYFPM-ZIAGYGMSSA-N 1 0 319.405 3.495 20 5 DGBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)[NH+]1CCCC1 ZINC000450243368 434051768 /nfs/dbraw/zinc/05/17/68/434051768.db2.gz NAZJIEFGXJYCGM-HNNXBMFYSA-N 1 0 321.425 3.006 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C(C)C)CC1 ZINC000285972279 434122087 /nfs/dbraw/zinc/12/20/87/434122087.db2.gz BIGUKUTVRJCUPJ-UHFFFAOYSA-N 1 0 305.378 3.082 20 5 DGBDRO COc1ccc(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422944263 434126304 /nfs/dbraw/zinc/12/63/04/434126304.db2.gz LFAUKJPJBQQFSV-HIFRSBDPSA-N 1 0 321.421 3.004 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000502832155 294176738 /nfs/dbraw/zinc/17/67/38/294176738.db2.gz GIYKSLQQNDEEAZ-CHWSQXEVSA-N 1 0 305.378 3.010 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000505641261 294247131 /nfs/dbraw/zinc/24/71/31/294247131.db2.gz UHZUJEXZNPCQRQ-HNNXBMFYSA-N 1 0 301.390 3.073 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000507527710 294303078 /nfs/dbraw/zinc/30/30/78/294303078.db2.gz MWIHVJPWODKICN-HOCLYGCPSA-N 1 0 306.406 3.322 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457373947 434132163 /nfs/dbraw/zinc/13/21/63/434132163.db2.gz TYVDWUDRVJJLTI-UHFFFAOYSA-N 1 0 317.389 3.106 20 5 DGBDRO COC(=O)CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000353482486 434165518 /nfs/dbraw/zinc/16/55/18/434165518.db2.gz MQMANYMYJSIZHX-UHFFFAOYSA-N 1 0 322.405 3.492 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000357778518 434171347 /nfs/dbraw/zinc/17/13/47/434171347.db2.gz CUOGDSJBWRXESP-SNVBAGLBSA-N 1 0 300.790 3.176 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CN(C)Cc2ccccc21 ZINC000363884088 434174072 /nfs/dbraw/zinc/17/40/72/434174072.db2.gz FOAVAYBXPUGSRA-GOSISDBHSA-N 1 0 311.385 3.180 20 5 DGBDRO C[C@@H]1[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CCC[N@@H+]1C ZINC000450442725 434183368 /nfs/dbraw/zinc/18/33/68/434183368.db2.gz TYYSXBGPMXKPOH-BXUZGUMPSA-N 1 0 300.362 3.038 20 5 DGBDRO CC(C)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363924820 434188049 /nfs/dbraw/zinc/18/80/49/434188049.db2.gz SVOOSLGBIUJELK-JKSUJKDBSA-N 1 0 317.433 3.435 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC12CCCCC2 ZINC000363951388 434192598 /nfs/dbraw/zinc/19/25/98/434192598.db2.gz WPXBPGIUJALEGI-ZDUSSCGKSA-N 1 0 306.410 3.121 20 5 DGBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514615289 294504263 /nfs/dbraw/zinc/50/42/63/294504263.db2.gz XMDIFHPICFCOTQ-SCTDSRPQSA-N 1 0 324.380 3.484 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000318608568 434211594 /nfs/dbraw/zinc/21/15/94/434211594.db2.gz SICKZRJAOZUSSV-SECBINFHSA-N 1 0 320.315 3.151 20 5 DGBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCF)cc1[N+](=O)[O-] ZINC000437263098 434241216 /nfs/dbraw/zinc/24/12/16/434241216.db2.gz QJARDYPINMOMNI-UHFFFAOYSA-N 1 0 303.337 3.422 20 5 DGBDRO COC[C@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000364146766 434245433 /nfs/dbraw/zinc/24/54/33/434245433.db2.gz GJEUGPHCPYBGPO-LBPRGKRZSA-N 1 0 312.797 3.497 20 5 DGBDRO CCOc1ccc([C@H](C)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000353579890 434248245 /nfs/dbraw/zinc/24/82/45/434248245.db2.gz VYGJJUZZSMQMAT-KBPBESRZSA-N 1 0 323.437 3.373 20 5 DGBDRO CN(CCC[NH+]1CCCC1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450497319 434228154 /nfs/dbraw/zinc/22/81/54/434228154.db2.gz FGKVEKRCEXZJFD-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000437544606 434288285 /nfs/dbraw/zinc/28/82/85/434288285.db2.gz IJRCZDGTAGJMCY-HOTGVXAUSA-N 1 0 322.430 3.334 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000287335492 434334198 /nfs/dbraw/zinc/33/41/98/434334198.db2.gz GCGPLRCTCNSBNI-VNHYZAJKSA-N 1 0 322.405 3.317 20 5 DGBDRO Cc1c([C@@H](C)N[C@@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000423261114 434321045 /nfs/dbraw/zinc/32/10/45/434321045.db2.gz JBRLDCMBIMZVMB-CJNGLKHVSA-N 1 0 305.422 3.461 20 5 DGBDRO CC(C)C[C@H](C[NH3+])N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423272557 434330774 /nfs/dbraw/zinc/33/07/74/434330774.db2.gz ZDSCLTWEQJVAER-WBMJQRKESA-N 1 0 305.422 3.280 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348520022 434366409 /nfs/dbraw/zinc/36/64/09/434366409.db2.gz HLAKQQMEYKFKAY-JQWIXIFHSA-N 1 0 320.723 3.498 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000358183254 434369215 /nfs/dbraw/zinc/36/92/15/434369215.db2.gz UWCLBFDGMSJUTC-CYBMUJFWSA-N 1 0 300.362 3.058 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000348521141 434371819 /nfs/dbraw/zinc/37/18/19/434371819.db2.gz NMJBAUDIGSAWDD-YPMHNXCESA-N 1 0 300.305 3.153 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000348521140 434372488 /nfs/dbraw/zinc/37/24/88/434372488.db2.gz NMJBAUDIGSAWDD-WCQYABFASA-N 1 0 300.305 3.153 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353685496 434336758 /nfs/dbraw/zinc/33/67/58/434336758.db2.gz IFSHEZHLJMDGAM-XPKDYRNWSA-N 1 0 314.389 3.196 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000437829550 434348862 /nfs/dbraw/zinc/34/88/62/434348862.db2.gz QIBXHDOBGHGMQV-INIZCTEOSA-N 1 0 312.369 3.420 20 5 DGBDRO CN(C)C(C)(C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417300002 434352217 /nfs/dbraw/zinc/35/22/17/434352217.db2.gz OAMWIBWXJOJGEU-INIZCTEOSA-N 1 0 305.422 3.292 20 5 DGBDRO CC(C)[C@H](CO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417326484 434354096 /nfs/dbraw/zinc/35/40/96/434354096.db2.gz GJMTYPBHEMPRSL-WMLDXEAASA-N 1 0 306.406 3.216 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1CCCC1)CCCC2 ZINC000417333250 434358530 /nfs/dbraw/zinc/35/85/30/434358530.db2.gz YPDDYOONJLNNTP-KRWDZBQOSA-N 1 0 303.406 3.048 20 5 DGBDRO CC[NH2+][C@H](C)CN[C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000423388653 434396952 /nfs/dbraw/zinc/39/69/52/434396952.db2.gz UKMYIDPWSFNVOD-CHWSQXEVSA-N 1 0 311.451 3.053 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2c[nH]nc2c1 ZINC000348676813 434439523 /nfs/dbraw/zinc/43/95/23/434439523.db2.gz UFKUOHOGTXXTNS-UHFFFAOYSA-N 1 0 310.357 3.146 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000296037366 434484919 /nfs/dbraw/zinc/48/49/19/434484919.db2.gz MUWOYRWCLZYBQI-DZGCQCFKSA-N 1 0 306.406 3.447 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCOC1 ZINC000348708917 434456868 /nfs/dbraw/zinc/45/68/68/434456868.db2.gz ALDKPRVETCNAPT-HNNXBMFYSA-N 1 0 316.357 3.466 20 5 DGBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000353901689 434515409 /nfs/dbraw/zinc/51/54/09/434515409.db2.gz RXAKLECOQOMMPM-LBPRGKRZSA-N 1 0 302.330 3.076 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000366853418 434522102 /nfs/dbraw/zinc/52/21/02/434522102.db2.gz PETFFJOVJWVOIR-CYBMUJFWSA-N 1 0 324.808 3.497 20 5 DGBDRO COc1cc(C)nc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296140436 434523433 /nfs/dbraw/zinc/52/34/33/434523433.db2.gz VDMPXPSWQQBNAT-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000348946122 434560831 /nfs/dbraw/zinc/56/08/31/434560831.db2.gz DZLWLDDMCWVVLT-QGZVFWFLSA-N 1 0 304.390 3.294 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000525409139 295014530 /nfs/dbraw/zinc/01/45/30/295014530.db2.gz PJDZVFIBZOVMMV-HZPDHXFCSA-N 1 0 322.405 3.109 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCO)CC1 ZINC000526063597 295054104 /nfs/dbraw/zinc/05/41/04/295054104.db2.gz XYXDKTWTFBROTO-KAMYIIQDSA-N 1 0 304.390 3.093 20 5 DGBDRO CCn1cc(C[N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cn1 ZINC000527304108 295090442 /nfs/dbraw/zinc/09/04/42/295090442.db2.gz FABAHXMHBBWBIX-RIYZIHGNSA-N 1 0 314.389 3.347 20 5 DGBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459606149 434630569 /nfs/dbraw/zinc/63/05/69/434630569.db2.gz FCGXSJAKAXFCDW-LRDDRELGSA-N 1 0 305.378 3.092 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC2CCCCC2)c(F)c1 ZINC000418125908 434598452 /nfs/dbraw/zinc/59/84/52/434598452.db2.gz KEWOZOHVQOCPAC-CQSZACIVSA-N 1 0 310.369 3.155 20 5 DGBDRO COc1ccc(OCC[N@H+](C)C2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000459740909 434691407 /nfs/dbraw/zinc/69/14/07/434691407.db2.gz MYLIRDFYDWYHOZ-UHFFFAOYSA-N 1 0 308.378 3.103 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)C2CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000459746828 434694193 /nfs/dbraw/zinc/69/41/93/434694193.db2.gz VKDUYLPOFJRONA-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)N(C)C ZINC000349249882 434650661 /nfs/dbraw/zinc/65/06/61/434650661.db2.gz VNRMIPRKCXDTQA-OLZOCXBDSA-N 1 0 311.451 3.005 20 5 DGBDRO C[NH+](C)CCN(Cc1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000349293031 434663824 /nfs/dbraw/zinc/66/38/24/434663824.db2.gz DEYMICISOXQDSM-UHFFFAOYSA-N 1 0 319.430 3.220 20 5 DGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000354209179 434672916 /nfs/dbraw/zinc/67/29/16/434672916.db2.gz QKLQGUPHZSMKGD-CHWSQXEVSA-N 1 0 309.385 3.039 20 5 DGBDRO C[NH+](C)CCN(Cc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000349328900 434675992 /nfs/dbraw/zinc/67/59/92/434675992.db2.gz HQVXVSCIZYUTAF-UHFFFAOYSA-N 1 0 319.430 3.220 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000360862468 434712845 /nfs/dbraw/zinc/71/28/45/434712845.db2.gz VWDGWRPYRYOCHT-BLLLJJGKSA-N 1 0 300.362 3.057 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1([NH+](C)C)CCCCCC1 ZINC000360882092 434720004 /nfs/dbraw/zinc/72/00/04/434720004.db2.gz XZAXWGMNPSMFCC-UHFFFAOYSA-N 1 0 323.441 3.186 20 5 DGBDRO CCC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCC1 ZINC000459801319 434726461 /nfs/dbraw/zinc/72/64/61/434726461.db2.gz LBUBYZUBAHTPET-OAHLLOKOSA-N 1 0 319.405 3.400 20 5 DGBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000440908914 434754943 /nfs/dbraw/zinc/75/49/43/434754943.db2.gz ZWBLXMXTZXLRJW-UHFFFAOYSA-N 1 0 308.378 3.115 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411145109 434729753 /nfs/dbraw/zinc/72/97/53/434729753.db2.gz BIXQQIDULOIWDA-CQSZACIVSA-N 1 0 305.378 3.188 20 5 DGBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361028683 434772449 /nfs/dbraw/zinc/77/24/49/434772449.db2.gz FSHRSHOIPOZHNL-RYUDHWBXSA-N 1 0 304.346 3.104 20 5 DGBDRO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC1(C)C ZINC000419323037 434773905 /nfs/dbraw/zinc/77/39/05/434773905.db2.gz TVVHDXSKAXBPKN-KGLIPLIRSA-N 1 0 319.405 3.256 20 5 DGBDRO COCCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000419383003 434782234 /nfs/dbraw/zinc/78/22/34/434782234.db2.gz KHENFFRUFWIOOY-UHFFFAOYSA-N 1 0 310.394 3.240 20 5 DGBDRO CCc1cnccc1[C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000361119779 434800982 /nfs/dbraw/zinc/80/09/82/434800982.db2.gz MLHNPORFKRVZFQ-CYBMUJFWSA-N 1 0 315.373 3.282 20 5 DGBDRO Cc1ccc(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1[N+](=O)[O-] ZINC000372433788 434826199 /nfs/dbraw/zinc/82/61/99/434826199.db2.gz PLBBNZXROSBVCA-UHFFFAOYSA-N 1 0 300.362 3.006 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCc2ncsc2C1 ZINC000445850509 434830190 /nfs/dbraw/zinc/83/01/90/434830190.db2.gz XESJGYILFFWGOH-LLVKDONJSA-N 1 0 303.387 3.479 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCCC(C)(C)C1 ZINC000446060649 434845926 /nfs/dbraw/zinc/84/59/26/434845926.db2.gz IVHMHJMXISBFCE-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1cccc([C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)c1C ZINC000372704470 434848534 /nfs/dbraw/zinc/84/85/34/434848534.db2.gz RPCMGTMHBMDXGE-OAHLLOKOSA-N 1 0 314.389 3.282 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000573128710 434878024 /nfs/dbraw/zinc/87/80/24/434878024.db2.gz XCERAWQVODMSFS-INIZCTEOSA-N 1 0 306.406 3.182 20 5 DGBDRO CC[N@@H+]1CC[C@H](N(C)c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000461947800 434892727 /nfs/dbraw/zinc/89/27/27/434892727.db2.gz KXVRJYRMHXXZGY-OLZOCXBDSA-N 1 0 309.385 3.351 20 5 DGBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492002016 434898161 /nfs/dbraw/zinc/89/81/61/434898161.db2.gz RIFZHMALXOGCFC-OLZOCXBDSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1cnc(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000463055044 434941390 /nfs/dbraw/zinc/94/13/90/434941390.db2.gz MASVPIKFXIVWOT-MRXNPFEDSA-N 1 0 320.437 3.467 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000492299379 434955858 /nfs/dbraw/zinc/95/58/58/434955858.db2.gz ZUZPGOHTXPLAGP-NWDGAFQWSA-N 1 0 310.781 3.107 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000465000908 435014169 /nfs/dbraw/zinc/01/41/69/435014169.db2.gz MDLWLDZCDOPVOH-DOTOQJQBSA-N 1 0 322.405 3.287 20 5 DGBDRO CCOc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000465052437 435017999 /nfs/dbraw/zinc/01/79/99/435017999.db2.gz ZIMWNNPQSPRPGA-AWEZNQCLSA-N 1 0 321.421 3.383 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](OC)C1CC1 ZINC000556240815 435001262 /nfs/dbraw/zinc/00/12/62/435001262.db2.gz KCTBPRIFJJEJRT-UKRRQHHQSA-N 1 0 324.446 3.480 20 5 DGBDRO C[N@H+](CCOCc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000464853872 435005810 /nfs/dbraw/zinc/00/58/10/435005810.db2.gz KFZIWVRJPWTWRI-UHFFFAOYSA-N 1 0 314.385 3.286 20 5 DGBDRO CCOc1cc(C[NH2+][C@H](CC)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000492741983 435042145 /nfs/dbraw/zinc/04/21/45/435042145.db2.gz DXEAHBQUFYWNKR-OAHLLOKOSA-N 1 0 322.405 3.288 20 5 DGBDRO COCC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000531701739 435110758 /nfs/dbraw/zinc/11/07/58/435110758.db2.gz FLCOINBNZBVXKX-UHFFFAOYSA-N 1 0 302.330 3.123 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2[nH]cnc2c1 ZINC000559071534 435120279 /nfs/dbraw/zinc/12/02/79/435120279.db2.gz CYDJLYUUSUWPTH-UHFFFAOYSA-N 1 0 310.357 3.146 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCCCC1 ZINC000468653514 435128749 /nfs/dbraw/zinc/12/87/49/435128749.db2.gz WJZBBNKNAARXCL-QINSGFPZSA-N 1 0 303.406 3.074 20 5 DGBDRO Cc1nccn1CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531955837 435129327 /nfs/dbraw/zinc/12/93/27/435129327.db2.gz BFFFAYDWHKCIEG-ZDUSSCGKSA-N 1 0 302.378 3.149 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000531978891 435131109 /nfs/dbraw/zinc/13/11/09/435131109.db2.gz CGDJKWPOBIVTKH-RZAIGCCYSA-N 1 0 312.369 3.212 20 5 DGBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000559479606 435133009 /nfs/dbraw/zinc/13/30/09/435133009.db2.gz MJJBZDMKPLHWOK-UHFFFAOYSA-N 1 0 321.421 3.191 20 5 DGBDRO CC(C)[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000559497545 435133121 /nfs/dbraw/zinc/13/31/21/435133121.db2.gz NGAFLZIPXAZEEG-OAHLLOKOSA-N 1 0 312.797 3.495 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000532025040 435136040 /nfs/dbraw/zinc/13/60/40/435136040.db2.gz RBKQZGJIFVYBJB-GUYCJALGSA-N 1 0 318.373 3.080 20 5 DGBDRO C[NH+](C)C[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000561185713 435205470 /nfs/dbraw/zinc/20/54/70/435205470.db2.gz QYUBOFZXRVBFMB-VIFPVBQESA-N 1 0 318.204 3.290 20 5 DGBDRO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000532249812 435153479 /nfs/dbraw/zinc/15/34/79/435153479.db2.gz LDVGCKKMMBLESW-SUMWQHHRSA-N 1 0 300.358 3.287 20 5 DGBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532584672 435179495 /nfs/dbraw/zinc/17/94/95/435179495.db2.gz RIJGLUCFGAOTFQ-IUODEOHRSA-N 1 0 319.405 3.094 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC(C)(C)CC1 ZINC000533301002 435224436 /nfs/dbraw/zinc/22/44/36/435224436.db2.gz AGCYHZGQGHMBDX-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1c(C[N@H+]2CCC[C@@]2(CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000475722799 435209641 /nfs/dbraw/zinc/20/96/41/435209641.db2.gz MFEZLIZOVJPRQW-KRWDZBQOSA-N 1 0 306.406 3.276 20 5 DGBDRO CC(C)CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000534868244 435302635 /nfs/dbraw/zinc/30/26/35/435302635.db2.gz BPPPEKHEVMIVLS-UHFFFAOYSA-N 1 0 321.421 3.047 20 5 DGBDRO CCOC(=O)[C@@H](CC(C)C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511143343 435315087 /nfs/dbraw/zinc/31/50/87/435315087.db2.gz QLFLWYGTAHMLKJ-MRXNPFEDSA-N 1 0 322.405 3.047 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1COc1ccc(C[NH3+])cc1 ZINC000567492487 435321669 /nfs/dbraw/zinc/32/16/69/435321669.db2.gz AREILAAGTTXRDV-UHFFFAOYSA-N 1 0 316.357 3.420 20 5 DGBDRO CCC(=O)c1ccc(NCC[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000479991091 435361413 /nfs/dbraw/zinc/36/14/13/435361413.db2.gz NUFBDAUCUNYKAE-UHFFFAOYSA-N 1 0 319.405 3.474 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000536745149 435409480 /nfs/dbraw/zinc/40/94/80/435409480.db2.gz GXVZNFLBEBDMKU-STQMWFEESA-N 1 0 308.378 3.245 20 5 DGBDRO Cc1ccncc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000536856600 435416159 /nfs/dbraw/zinc/41/61/59/435416159.db2.gz FMOJQVXHRYWFKK-ZDUSSCGKSA-N 1 0 301.346 3.028 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCN2CCCCCC2)cccc1[N+](=O)[O-] ZINC000480277475 435372812 /nfs/dbraw/zinc/37/28/12/435372812.db2.gz XDXVITGDHCMNDS-HNNXBMFYSA-N 1 0 305.422 3.430 20 5 DGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481411851 435426004 /nfs/dbraw/zinc/42/60/04/435426004.db2.gz KWVSBVWBTFLQLI-TZMCWYRMSA-N 1 0 308.378 3.103 20 5 DGBDRO COC1(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000514757951 435433618 /nfs/dbraw/zinc/43/36/18/435433618.db2.gz FQPJNNSXYMMJRT-UHFFFAOYSA-N 1 0 306.406 3.418 20 5 DGBDRO Cc1nc(C)c(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000515670520 435497108 /nfs/dbraw/zinc/49/71/08/435497108.db2.gz OLDGGKADZUSJBG-ZDUSSCGKSA-N 1 0 303.387 3.445 20 5 DGBDRO CC(C)(C)C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)C ZINC000539321091 435547501 /nfs/dbraw/zinc/54/75/01/435547501.db2.gz XBYZZRBJVUTFHL-UHFFFAOYSA-N 1 0 323.437 3.151 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CCCC[C@@H]1O)C1CC1 ZINC000516774550 435551038 /nfs/dbraw/zinc/55/10/38/435551038.db2.gz VPGBGIGXWSXWKE-PBHICJAKSA-N 1 0 304.390 3.110 20 5 DGBDRO Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000516906715 435560764 /nfs/dbraw/zinc/56/07/64/435560764.db2.gz ORFKSYOZVKUGCK-LSDHHAIUSA-N 1 0 318.377 3.009 20 5 DGBDRO COCCC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000570058939 435587084 /nfs/dbraw/zinc/58/70/84/435587084.db2.gz CPQYPVAFVZUBKJ-HNNXBMFYSA-N 1 0 304.390 3.379 20 5 DGBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000540646496 435612926 /nfs/dbraw/zinc/61/29/26/435612926.db2.gz OMKCUWSDZXJYPT-CHWSQXEVSA-N 1 0 314.389 3.346 20 5 DGBDRO CN(C)c1ccccc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000540809047 435617647 /nfs/dbraw/zinc/61/76/47/435617647.db2.gz PLSZMANUDVIARF-YFHOEESVSA-N 1 0 311.385 3.464 20 5 DGBDRO CC(C)c1ccc(CNCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000540802286 435618011 /nfs/dbraw/zinc/61/80/11/435618011.db2.gz RPKILRFLZNWXIB-AWEZNQCLSA-N 1 0 305.422 3.150 20 5 DGBDRO CC(C)c1ccc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000540962186 435629377 /nfs/dbraw/zinc/62/93/77/435629377.db2.gz VBQKGDMOTOIEFZ-ZFWWWQNUSA-N 1 0 306.406 3.311 20 5 DGBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1C ZINC000488102747 435633132 /nfs/dbraw/zinc/63/31/32/435633132.db2.gz HQCJHURFAGYWCK-YOEHRIQHSA-N 1 0 306.406 3.274 20 5 DGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739145 435643893 /nfs/dbraw/zinc/64/38/93/435643893.db2.gz VTXIDXYSQYDORU-LALPHHSUSA-N 1 0 323.824 3.415 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1ccno1 ZINC000570929035 435662318 /nfs/dbraw/zinc/66/23/18/435662318.db2.gz ZXCDMGHVLLBVTO-IUODEOHRSA-N 1 0 301.346 3.084 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC[NH+](C2CCC2)CC1 ZINC000571415719 435706082 /nfs/dbraw/zinc/70/60/82/435706082.db2.gz BLVOVQVQKAEWMF-KRWDZBQOSA-N 1 0 315.417 3.189 20 5 DGBDRO C[C@@H]1CCCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548763627 435716781 /nfs/dbraw/zinc/71/67/81/435716781.db2.gz RHWOLXCOEDRIGW-KGLIPLIRSA-N 1 0 319.405 3.339 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000572913968 435879683 /nfs/dbraw/zinc/87/96/83/435879683.db2.gz YZKNKRWLMGERIP-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(-n3cccn3)c2)cc1 ZINC000132796829 312651108 /nfs/dbraw/zinc/65/11/08/312651108.db2.gz LCOBWNHBYJOADQ-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccccc2)C2CCCC2)n1 ZINC000176238474 312774055 /nfs/dbraw/zinc/77/40/55/312774055.db2.gz FJSDDXHRRZJPER-KRWDZBQOSA-N 1 0 314.389 3.312 20 5 DGBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000537288269 313806016 /nfs/dbraw/zinc/80/60/16/313806016.db2.gz PIUXRRRSKBFQTP-AWEZNQCLSA-N 1 0 307.394 3.256 20 5 DGBDRO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000539490909 313915289 /nfs/dbraw/zinc/91/52/89/313915289.db2.gz IHRWHBABFRWQLX-AWEZNQCLSA-N 1 0 307.394 3.256 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000540184853 313951687 /nfs/dbraw/zinc/95/16/87/313951687.db2.gz XLVTZDZXGMYXPY-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1cc(N[C@@H](C)C[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542102183 314056256 /nfs/dbraw/zinc/05/62/56/314056256.db2.gz IVYXNJLPEFZNIS-FZMZJTMJSA-N 1 0 315.373 3.243 20 5 DGBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000544193275 314180489 /nfs/dbraw/zinc/18/04/89/314180489.db2.gz HJNXJHVNCXLHIS-CQSZACIVSA-N 1 0 320.389 3.329 20 5 DGBDRO CC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000544574744 314199990 /nfs/dbraw/zinc/19/99/90/314199990.db2.gz HBVWQWQPFSDVEI-INIZCTEOSA-N 1 0 316.405 3.392 20 5 DGBDRO Cc1cncc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000546645840 314318315 /nfs/dbraw/zinc/31/83/15/314318315.db2.gz JKEPBKVVGDCXBG-CYBMUJFWSA-N 1 0 301.346 3.028 20 5 DGBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000548488369 314452937 /nfs/dbraw/zinc/45/29/37/314452937.db2.gz SGBLRLQCAFIGBR-WFASDCNBSA-N 1 0 319.405 3.142 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](COC)C1CC1 ZINC000552579736 314620196 /nfs/dbraw/zinc/62/01/96/314620196.db2.gz HZHMFWKEQMRYOI-ZIAGYGMSSA-N 1 0 324.446 3.480 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc2c(c1)OCO2 ZINC000563416565 315113169 /nfs/dbraw/zinc/11/31/69/315113169.db2.gz GPXOSLWLHXYEMB-AWEZNQCLSA-N 1 0 312.325 3.101 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000566428230 315344881 /nfs/dbraw/zinc/34/48/81/315344881.db2.gz CFJHTILKYZGHIP-GWCFXTLKSA-N 1 0 316.361 3.484 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)C1CCCCC1 ZINC000566475992 315351007 /nfs/dbraw/zinc/35/10/07/315351007.db2.gz RRPAKQKZQXSECA-WBVHZDCISA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCc3occc32)cc1 ZINC000567610829 315434980 /nfs/dbraw/zinc/43/49/80/315434980.db2.gz IWPGLKBZMCCFCQ-HNNXBMFYSA-N 1 0 302.330 3.234 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCC3(CCCO3)CC2)c1 ZINC000571942380 315756174 /nfs/dbraw/zinc/75/61/74/315756174.db2.gz JUFQUUOKVPPDEA-UHFFFAOYSA-N 1 0 304.390 3.219 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000574876293 316010597 /nfs/dbraw/zinc/01/05/97/316010597.db2.gz BTRSAJWZDLSFNP-JHJVBQTASA-N 1 0 323.368 3.182 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000575000335 316023755 /nfs/dbraw/zinc/02/37/55/316023755.db2.gz VSACJHOSSAZDIK-IACUBPJLSA-N 1 0 310.781 3.151 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CO1 ZINC000575122778 316035334 /nfs/dbraw/zinc/03/53/34/316035334.db2.gz CHPVNGFLVKZHJK-QBIMZIAESA-N 1 0 312.369 3.451 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cncnc2C)cc1[N+](=O)[O-] ZINC000575881448 316072116 /nfs/dbraw/zinc/07/21/16/316072116.db2.gz RESUCUAWWHPAGY-AAEUAGOBSA-N 1 0 300.362 3.413 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cncnc2C)cc1[N+](=O)[O-] ZINC000575881451 316072467 /nfs/dbraw/zinc/07/24/67/316072467.db2.gz RESUCUAWWHPAGY-YPMHNXCESA-N 1 0 300.362 3.413 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000576201853 316104798 /nfs/dbraw/zinc/10/47/98/316104798.db2.gz RIKMOTDTPSRYEO-GFCCVEGCSA-N 1 0 306.410 3.095 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000576221155 316106880 /nfs/dbraw/zinc/10/68/80/316106880.db2.gz YBZHBWGECDVFFX-KDOFPFPSSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1ncncc1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000576715026 316159985 /nfs/dbraw/zinc/15/99/85/316159985.db2.gz HCXMVDJNVXIPKI-JTQLQIEISA-N 1 0 320.780 3.240 20 5 DGBDRO CC(C)CN(C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000180398814 323228623 /nfs/dbraw/zinc/22/86/23/323228623.db2.gz PEGUKAARROTWIA-CQSZACIVSA-N 1 0 321.421 3.138 20 5 DGBDRO CC(C)(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(F)c1 ZINC000181056075 323245071 /nfs/dbraw/zinc/24/50/71/323245071.db2.gz OLWZCKYUGXWWOO-OAHLLOKOSA-N 1 0 320.368 3.307 20 5 DGBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000182419295 323298316 /nfs/dbraw/zinc/29/83/16/323298316.db2.gz DZKTXMZEFRBNKY-OAHLLOKOSA-N 1 0 319.361 3.319 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(C(F)(F)F)C1 ZINC000578614369 323758316 /nfs/dbraw/zinc/75/83/16/323758316.db2.gz WDJWKMGKGIZJCC-UHFFFAOYSA-N 1 0 318.295 3.424 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000578805671 323784832 /nfs/dbraw/zinc/78/48/32/323784832.db2.gz ZYXUGCRKLYTILM-INIZCTEOSA-N 1 0 306.406 3.359 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000579613714 323895055 /nfs/dbraw/zinc/89/50/55/323895055.db2.gz AGCNZRJXXQFCIL-CVEARBPZSA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc2c(c1)COC2 ZINC000579859184 323927841 /nfs/dbraw/zinc/92/78/41/323927841.db2.gz JZUZOCGNJHGMCZ-QGZVFWFLSA-N 1 0 310.353 3.402 20 5 DGBDRO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H](c1ccccc1)[NH+](C)C ZINC000580140795 323962268 /nfs/dbraw/zinc/96/22/68/323962268.db2.gz GGFDVEQDIWDMLO-BLLLJJGKSA-N 1 0 300.362 3.093 20 5 DGBDRO CC(C)(C)CC[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580464774 324002243 /nfs/dbraw/zinc/00/22/43/324002243.db2.gz WVVMDZYKLYLKCN-DOMZBBRYSA-N 1 0 306.406 3.359 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@@H]3C=CCCCCC3)C2)nc1 ZINC000581501639 324124021 /nfs/dbraw/zinc/12/40/21/324124021.db2.gz FPEFJKCZXOLRQP-HUUCEWRRSA-N 1 0 316.405 3.365 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1COc2ccccc2C1 ZINC000582497286 324237908 /nfs/dbraw/zinc/23/79/08/324237908.db2.gz QTSLBJQXDOKUQQ-BBRMVZONSA-N 1 0 310.353 3.175 20 5 DGBDRO Cc1ccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000583499588 324361956 /nfs/dbraw/zinc/36/19/56/324361956.db2.gz PITMMPUNGTYKSK-HOTGVXAUSA-N 1 0 303.406 3.010 20 5 DGBDRO CC(C)n1cc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000583526597 324365325 /nfs/dbraw/zinc/36/53/25/324365325.db2.gz SMDLQPQGZBZTJJ-ZDUSSCGKSA-N 1 0 318.377 3.102 20 5 DGBDRO C[NH+](C)CC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000116410544 500766510 /nfs/dbraw/zinc/76/65/10/500766510.db2.gz FGVNRSUNDCMDLA-CQSZACIVSA-N 1 0 322.409 3.083 20 5 DGBDRO COCC1(C)C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000459624917 500805904 /nfs/dbraw/zinc/80/59/04/500805904.db2.gz VWVRFDBDFMKMEM-UHFFFAOYSA-N 1 0 316.357 3.323 20 5 DGBDRO CSC[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000292459008 533806600 /nfs/dbraw/zinc/80/66/00/533806600.db2.gz QFBJMHBRCJJGQW-ZDUSSCGKSA-N 1 0 310.419 3.049 20 5 DGBDRO COc1cc(F)cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000294718944 534008957 /nfs/dbraw/zinc/00/89/57/534008957.db2.gz JXVRALKZPFLNQD-SNVBAGLBSA-N 1 0 319.336 3.176 20 5 DGBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000413256971 534031606 /nfs/dbraw/zinc/03/16/06/534031606.db2.gz AFDSXTKKCJOQIL-NHYWBVRUSA-N 1 0 318.352 3.232 20 5 DGBDRO Cc1cc(NC[C@@H]2C[C@H](C)O[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413539563 534034872 /nfs/dbraw/zinc/03/48/72/534034872.db2.gz UHAGFGOMBHDNPE-XQQFMLRXSA-N 1 0 315.373 3.099 20 5 DGBDRO [NH3+]C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000435381221 534567155 /nfs/dbraw/zinc/56/71/55/534567155.db2.gz VLOQEHCGQREDTG-UHFFFAOYSA-N 1 0 317.414 3.246 20 5 DGBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc2ccccc21 ZINC000157707213 523000321 /nfs/dbraw/zinc/00/03/21/523000321.db2.gz AXXGPDUNGCJYQM-UHFFFAOYSA-N 1 0 310.357 3.077 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCC1CCOCC1)CC2 ZINC000332515518 534883711 /nfs/dbraw/zinc/88/37/11/534883711.db2.gz WPGABISGVDEJRP-UHFFFAOYSA-N 1 0 304.390 3.160 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)C1CC1 ZINC000297542412 534887884 /nfs/dbraw/zinc/88/78/84/534887884.db2.gz FDHHBZZAFARSBD-JQFCIGGWSA-N 1 0 318.417 3.057 20 5 DGBDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000434616522 527750541 /nfs/dbraw/zinc/75/05/41/527750541.db2.gz QHROMTGALVNWEM-MRXNPFEDSA-N 1 0 320.368 3.260 20 5 DGBDRO CC1CCC(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000332426707 528176657 /nfs/dbraw/zinc/17/66/57/528176657.db2.gz CMGSCKBAZMERNT-UHFFFAOYSA-N 1 0 306.410 3.255 20 5 DGBDRO CCOc1cc(NCC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000413433745 528327687 /nfs/dbraw/zinc/32/76/87/528327687.db2.gz DVIFMZNJEWABOU-ZDUSSCGKSA-N 1 0 307.394 3.137 20 5 DGBDRO CCOc1cc(NC[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000315478867 528327747 /nfs/dbraw/zinc/32/77/47/528327747.db2.gz AOWJBWDVSWVFKU-CYBMUJFWSA-N 1 0 307.394 3.137 20 5 DGBDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000414197702 528412294 /nfs/dbraw/zinc/41/22/94/528412294.db2.gz ZAGBZRBENUQPAZ-KBUPBQIOSA-N 1 0 306.410 3.299 20 5 DGBDRO CCC(=O)c1ccc(NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000413347867 528458056 /nfs/dbraw/zinc/45/80/56/528458056.db2.gz MCQSOTXZVCKGGY-UHFFFAOYSA-N 1 0 319.405 3.474 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000305724184 528607011 /nfs/dbraw/zinc/60/70/11/528607011.db2.gz FOQQEHVKNTZPCX-GUTXKFCHSA-N 1 0 322.405 3.195 20 5 DGBDRO CC[C@H](C)[NH2+][C@@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccco1 ZINC000413284564 529181679 /nfs/dbraw/zinc/18/16/79/529181679.db2.gz VKBIQUHJAHGJFN-GWCFXTLKSA-N 1 0 322.340 3.263 20 5 DGBDRO CC[C@H](C)[NH2+][C@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccco1 ZINC000413284565 529183211 /nfs/dbraw/zinc/18/32/11/529183211.db2.gz VKBIQUHJAHGJFN-GXFFZTMASA-N 1 0 322.340 3.263 20 5 DGBDRO CC[C@H](CCO)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302075714 529328038 /nfs/dbraw/zinc/32/80/38/529328038.db2.gz IYNAVPHEROMLGR-GFCCVEGCSA-N 1 0 303.362 3.272 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000451479353 535072355 /nfs/dbraw/zinc/07/23/55/535072355.db2.gz MRBWZPZYZBAIJR-VCTAVGKDSA-N 1 0 308.353 3.027 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)O ZINC000449538724 535915806 /nfs/dbraw/zinc/91/58/06/535915806.db2.gz HSCPGXCMBALYHL-ABAIWWIYSA-N 1 0 304.346 3.104 20 5 DGBDRO CO[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000449503995 536679043 /nfs/dbraw/zinc/67/90/43/536679043.db2.gz VILOTEVKXPLQDM-QKIRZYONSA-N 1 0 304.390 3.355 20 5 DGBDRO COc1cnccc1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449269176 537127685 /nfs/dbraw/zinc/12/76/85/537127685.db2.gz MIPSIRPQQIBPIV-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000268812547 546351091 /nfs/dbraw/zinc/35/10/91/546351091.db2.gz BELFHKMLGRJOSD-IPQOISQHSA-N 1 0 318.398 3.183 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000275590559 546366203 /nfs/dbraw/zinc/36/62/03/546366203.db2.gz FJHHQPOOSACDEC-GJZGRUSLSA-N 1 0 319.408 3.388 20 5 DGBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000381161224 546738848 /nfs/dbraw/zinc/73/88/48/546738848.db2.gz NSMBKILZWLQJST-QMTHXVAHSA-N 1 0 300.786 3.399 20 5 DGBDRO CCOCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000381211296 546739264 /nfs/dbraw/zinc/73/92/64/546739264.db2.gz VBITXBMGZJZYJI-UHFFFAOYSA-N 1 0 300.786 3.401 20 5 DGBDRO CC[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)[NH+]1CCCC1 ZINC000731206962 574545163 /nfs/dbraw/zinc/54/51/63/574545163.db2.gz XIWUXCQGZHAFOT-NSHDSACASA-N 1 0 320.418 3.491 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000732917844 574587472 /nfs/dbraw/zinc/58/74/72/574587472.db2.gz PPUMVBLRENANHI-QFYYESIMSA-N 1 0 322.311 3.257 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)C2CC2)s1 ZINC000734163069 574653767 /nfs/dbraw/zinc/65/37/67/574653767.db2.gz ABLGOGQCNCBKGL-AWEZNQCLSA-N 1 0 318.398 3.184 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000740887032 574944889 /nfs/dbraw/zinc/94/48/89/574944889.db2.gz OMUQQLZYYFJLIF-HUUCEWRRSA-N 1 0 310.369 3.369 20 5 DGBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000743499973 575054955 /nfs/dbraw/zinc/05/49/55/575054955.db2.gz RVQUGQPBAYXOTL-CMPLNLGQSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000749155946 575631070 /nfs/dbraw/zinc/63/10/70/575631070.db2.gz KRQNJNHFOICMRH-YVEFUNNKSA-N 1 0 324.396 3.401 20 5 DGBDRO CC(C)(C)[N@@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000749316084 575643939 /nfs/dbraw/zinc/64/39/39/575643939.db2.gz CUNFNNLKETWAGQ-UHFFFAOYSA-N 1 0 313.348 3.184 20 5 DGBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000749685308 575672058 /nfs/dbraw/zinc/67/20/58/575672058.db2.gz FGLSLNXESQJLFK-PXAZEXFGSA-N 1 0 318.348 3.161 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000749687192 575672622 /nfs/dbraw/zinc/67/26/22/575672622.db2.gz IDKGHVVEZWRJPU-DLBZAZTESA-N 1 0 316.332 3.044 20 5 DGBDRO Cc1nn(C[N@@H+](C)C2CCC(C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749939780 575690672 /nfs/dbraw/zinc/69/06/72/575690672.db2.gz TZJBRGJIMMCWPN-UHFFFAOYSA-N 1 0 317.393 3.116 20 5 DGBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000750037884 575699412 /nfs/dbraw/zinc/69/94/12/575699412.db2.gz SIQFMDRDPJJJNT-FZKQIMNGSA-N 1 0 312.369 3.248 20 5 DGBDRO C[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)[C@H]1C ZINC000751939483 575813269 /nfs/dbraw/zinc/81/32/69/575813269.db2.gz FTCVXKQYACLUHG-STQMWFEESA-N 1 0 300.362 3.146 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000852649880 620637802 /nfs/dbraw/zinc/63/78/02/620637802.db2.gz CPOBYGZETFDHDR-ZSHMMXAPSA-N 1 0 310.369 3.135 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000917064686 620654517 /nfs/dbraw/zinc/65/45/17/620654517.db2.gz GLEAXIZQYIZYNQ-NEPJUHHUSA-N 1 0 322.365 3.178 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000853015391 620660539 /nfs/dbraw/zinc/66/05/39/620660539.db2.gz ZVJHWIOGALCLRW-HNNXBMFYSA-N 1 0 311.332 3.112 20 5 DGBDRO Cc1nn(C[N@H+](C)C[C@H]2CCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000853611303 620715789 /nfs/dbraw/zinc/71/57/89/620715789.db2.gz XYFCKKYRAYMNKI-OAHLLOKOSA-N 1 0 314.389 3.027 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000804655235 617604717 /nfs/dbraw/zinc/60/47/17/617604717.db2.gz KQLPBQCLDRRWQK-HNNXBMFYSA-N 1 0 317.389 3.226 20 5 DGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000804813743 617675012 /nfs/dbraw/zinc/67/50/12/617675012.db2.gz TXZDCGVNYODHED-AAEUAGOBSA-N 1 0 309.797 3.311 20 5 DGBDRO C[C@@H]1CC2(CC([NH2+]CCc3ccc(Cl)cc3[N+](=O)[O-])C2)CO1 ZINC000926112832 617769726 /nfs/dbraw/zinc/76/97/26/617769726.db2.gz GXFIHBGBUNMXEN-OLQXHTCTSA-N 1 0 324.808 3.338 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H](C)CCc2ccco2)c1[N+](=O)[O-] ZINC000892416571 618060295 /nfs/dbraw/zinc/06/02/95/618060295.db2.gz ZFAMWKHFGKGMSD-NSHDSACASA-N 1 0 320.345 3.013 20 5 DGBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892510085 618090142 /nfs/dbraw/zinc/09/01/42/618090142.db2.gz GMAKBSDKYZHRDK-LLVKDONJSA-N 1 0 322.796 3.179 20 5 DGBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782488004 618105350 /nfs/dbraw/zinc/10/53/50/618105350.db2.gz PJMGGNMZLZLABR-AWEZNQCLSA-N 1 0 314.769 3.070 20 5 DGBDRO CCc1ccc(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])s1 ZINC000892572979 618110623 /nfs/dbraw/zinc/11/06/23/618110623.db2.gz OUERJLRBQWUQGO-UHFFFAOYSA-N 1 0 322.386 3.223 20 5 DGBDRO COc1c(O)ccc(C[NH2+]Cc2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000892617489 618119805 /nfs/dbraw/zinc/11/98/05/618119805.db2.gz YLXOMASNSNXVQM-UHFFFAOYSA-N 1 0 316.357 3.216 20 5 DGBDRO O=[N+]([O-])c1ncccc1NCCCCCCC[NH+]1CCCC1 ZINC000920337584 620797004 /nfs/dbraw/zinc/79/70/04/620797004.db2.gz GODOVSGYTOSZIE-UHFFFAOYSA-N 1 0 306.410 3.448 20 5 DGBDRO C[NH+](C)C1(C)CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000894847739 618475291 /nfs/dbraw/zinc/47/52/91/618475291.db2.gz FMQBUTJAPNUPTG-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[NH+](C)C1(C)CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC000894848987 618476512 /nfs/dbraw/zinc/47/65/12/618476512.db2.gz ONKNXARXTREWML-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000777008263 618532502 /nfs/dbraw/zinc/53/25/02/618532502.db2.gz FSWXSYYGEIOXAE-BXKDBHETSA-N 1 0 306.284 3.131 20 5 DGBDRO Cc1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cnc1F ZINC000893404335 618547553 /nfs/dbraw/zinc/54/75/53/618547553.db2.gz ZRRWBDCSDRRNOC-UHFFFAOYSA-N 1 0 323.755 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000895146116 618553164 /nfs/dbraw/zinc/55/31/64/618553164.db2.gz BJGCGCMUNGRGLU-WZRBSPASSA-N 1 0 316.279 3.023 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)C(C)C ZINC000840967883 618643241 /nfs/dbraw/zinc/64/32/41/618643241.db2.gz SFAXOBYSXBPWRL-ZIAGYGMSSA-N 1 0 300.786 3.133 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnn(C2CCC2)c1 ZINC000924955181 618748674 /nfs/dbraw/zinc/74/86/74/618748674.db2.gz MGLHKMSIEWJVDL-ZDUSSCGKSA-N 1 0 314.389 3.410 20 5 DGBDRO C[C@@H](NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928247538 618762058 /nfs/dbraw/zinc/76/20/58/618762058.db2.gz XBCKHMAEKRPPGA-XJFOESAGSA-N 1 0 319.405 3.033 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3CSC3)o2)c1 ZINC000895422416 618783302 /nfs/dbraw/zinc/78/33/02/618783302.db2.gz CBZORMWNXNSOFP-UHFFFAOYSA-N 1 0 304.371 3.307 20 5 DGBDRO CC1([NH+]2CCCC2)CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000895527075 618794651 /nfs/dbraw/zinc/79/46/51/618794651.db2.gz BKRLOAMAELOBIY-UHFFFAOYSA-N 1 0 304.394 3.199 20 5 DGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000895658440 618813002 /nfs/dbraw/zinc/81/30/02/618813002.db2.gz KBZQNXZUYLHMHI-MRXNPFEDSA-N 1 0 300.358 3.197 20 5 DGBDRO C[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOC2(CCC2)C1 ZINC000895821294 618835647 /nfs/dbraw/zinc/83/56/47/618835647.db2.gz JLTPBJINNMSROA-QGZVFWFLSA-N 1 0 318.417 3.466 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC(C)(C)CC(F)F)c1[N+](=O)[O-] ZINC000895996771 618858541 /nfs/dbraw/zinc/85/85/41/618858541.db2.gz AGPYORMYAZRPAN-UHFFFAOYSA-N 1 0 318.320 3.080 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897035498 619004720 /nfs/dbraw/zinc/00/47/20/619004720.db2.gz UMTCBQBNQOATSG-GQCTYLIASA-N 1 0 316.401 3.235 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CC2)cc1Cl ZINC000897387081 619101503 /nfs/dbraw/zinc/10/15/03/619101503.db2.gz DTZDDHJRSSMREO-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO CC(C)c1c[nH]c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000897460258 619130130 /nfs/dbraw/zinc/13/01/30/619130130.db2.gz RQKXBWXBSJBPQF-GFCCVEGCSA-N 1 0 302.378 3.335 20 5 DGBDRO C[C@H](C[NH2+][C@H](c1nccn1C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897459349 619130204 /nfs/dbraw/zinc/13/02/04/619130204.db2.gz KVSLRSWKGFRBAO-WBMJQRKESA-N 1 0 314.389 3.173 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000897461278 619130361 /nfs/dbraw/zinc/13/03/61/619130361.db2.gz ZDDPSYZWPGBAIU-SDNTUTLCSA-N 1 0 316.401 3.246 20 5 DGBDRO CC(C)n1nccc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464032 619130606 /nfs/dbraw/zinc/13/06/06/619130606.db2.gz JQGVVKTVMHRLKS-CYBMUJFWSA-N 1 0 302.378 3.266 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])[C@H]1SC ZINC000897463142 619130612 /nfs/dbraw/zinc/13/06/12/619130612.db2.gz BPCAJHOUULUOQV-WXYCVUISSA-N 1 0 324.446 3.197 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897464607 619130636 /nfs/dbraw/zinc/13/06/36/619130636.db2.gz MVDPOOILLOIEJS-ZIAGYGMSSA-N 1 0 304.390 3.390 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000897500825 619138999 /nfs/dbraw/zinc/13/89/99/619138999.db2.gz IXWBTXQASYJLMX-HIFRSBDPSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897525739 619148694 /nfs/dbraw/zinc/14/86/94/619148694.db2.gz UAYZPWUZMJDUMR-UHFFFAOYSA-N 1 0 310.781 3.033 20 5 DGBDRO C[C@H]1CC2(CC([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CO1 ZINC000897780128 619181746 /nfs/dbraw/zinc/18/17/46/619181746.db2.gz FKQBOGVMHWLYSM-KKJMOOEGSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CCO)C1CCCC1 ZINC000897885023 619191522 /nfs/dbraw/zinc/19/15/22/619191522.db2.gz CHPGOKRTYOTTJM-GEZBDVBVSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897955197 619198633 /nfs/dbraw/zinc/19/86/33/619198633.db2.gz QOOYTBOCPLCUDG-AVRGHOLYSA-N 1 0 317.389 3.090 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@H](O)C2CC2)o1 ZINC000898206665 619221341 /nfs/dbraw/zinc/22/13/41/619221341.db2.gz RYZFOAPXDDXCJZ-MRXNPFEDSA-N 1 0 316.357 3.105 20 5 DGBDRO C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000926964635 619253520 /nfs/dbraw/zinc/25/35/20/619253520.db2.gz SSCPNHPHSBIMOC-MFKMUULPSA-N 1 0 319.327 3.128 20 5 DGBDRO O=C(CC[N@@H+]1CC[C@@H]1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000899912649 619383173 /nfs/dbraw/zinc/38/31/73/619383173.db2.gz MWNGPHNQCDMEFE-OAHLLOKOSA-N 1 0 317.389 3.188 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000903104487 619717054 /nfs/dbraw/zinc/71/70/54/619717054.db2.gz JAHINERTCUZKRF-YVEFUNNKSA-N 1 0 322.405 3.459 20 5 DGBDRO CCC1(O)CCC([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903111939 619719520 /nfs/dbraw/zinc/71/95/20/619719520.db2.gz DTTGYCQWVGEZQB-RFSCMCKOSA-N 1 0 322.405 3.338 20 5 DGBDRO CCC(CC)(CO)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903127640 619722472 /nfs/dbraw/zinc/72/24/72/619722472.db2.gz JJIWXCBICHUSLD-LBPRGKRZSA-N 1 0 310.394 3.053 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000903127849 619722602 /nfs/dbraw/zinc/72/26/02/619722602.db2.gz MVFBXDORYOCKLD-RLCCDNCMSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903127995 619722629 /nfs/dbraw/zinc/72/26/29/619722629.db2.gz PRHPWEYSBQDCNE-AAEUAGOBSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2ccncc2C)cc([N+](=O)[O-])c1 ZINC000903126939 619722633 /nfs/dbraw/zinc/72/26/33/619722633.db2.gz FXXLSLZTZWZYPV-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903131454 619723243 /nfs/dbraw/zinc/72/32/43/619723243.db2.gz SKXRYICZJXGVFM-OPDFLTKYSA-N 1 0 308.378 3.210 20 5 DGBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000903158194 619726982 /nfs/dbraw/zinc/72/69/82/619726982.db2.gz FTIIKQGKDGNLIT-CHWSQXEVSA-N 1 0 318.295 3.271 20 5 DGBDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903171822 619729457 /nfs/dbraw/zinc/72/94/57/619729457.db2.gz JVEOGACKGORHFE-LBPRGKRZSA-N 1 0 310.394 3.317 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1[N+](=O)[O-] ZINC000903180725 619731480 /nfs/dbraw/zinc/73/14/80/619731480.db2.gz IMMDDGPZWJGAAE-OUJBWJOFSA-N 1 0 318.295 3.355 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCCSC2)cc([N+](=O)[O-])c1 ZINC000903169647 619733294 /nfs/dbraw/zinc/73/32/94/619733294.db2.gz CDPOTNIAOMBMEA-NWDGAFQWSA-N 1 0 310.419 3.397 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)C2(OC)CCC2)cc([N+](=O)[O-])c1 ZINC000903190034 619737237 /nfs/dbraw/zinc/73/72/37/619737237.db2.gz NPSKRKRIPBZZDK-NWDGAFQWSA-N 1 0 308.378 3.212 20 5 DGBDRO CCn1ccnc1[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246354 619742692 /nfs/dbraw/zinc/74/26/92/619742692.db2.gz TVPGVCLEUKKWHJ-QWHCGFSZSA-N 1 0 302.378 3.266 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000903244854 619743355 /nfs/dbraw/zinc/74/33/55/619743355.db2.gz FNNARUDRWUWSHE-CJNGLKHVSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000903245894 619743906 /nfs/dbraw/zinc/74/39/06/619743906.db2.gz QGHJZXWCPVTSIG-DDUZABMNSA-N 1 0 318.417 3.493 20 5 DGBDRO C[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903257399 619746077 /nfs/dbraw/zinc/74/60/77/619746077.db2.gz GHUOICZFOVTXGC-NSHDSACASA-N 1 0 308.353 3.080 20 5 DGBDRO C[C@H]([NH2+][C@@H](CCO)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903298821 619752918 /nfs/dbraw/zinc/75/29/18/619752918.db2.gz XWCGVSSYRVCFQJ-FZMZJTMJSA-N 1 0 310.369 3.326 20 5 DGBDRO C[C@H]([NH2+][C@H](CCO)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903298823 619752945 /nfs/dbraw/zinc/75/29/45/619752945.db2.gz XWCGVSSYRVCFQJ-SMDDNHRTSA-N 1 0 310.369 3.326 20 5 DGBDRO C[C@H]([NH2+][C@H](CO)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000903290243 619755223 /nfs/dbraw/zinc/75/52/23/619755223.db2.gz UIFMGZBMBMEDAQ-YOEHRIQHSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903311958 619757746 /nfs/dbraw/zinc/75/77/46/619757746.db2.gz XCHJTCDJKKGQAO-SJKOYZFVSA-N 1 0 318.348 3.292 20 5 DGBDRO CO[C@]1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000903313900 619758159 /nfs/dbraw/zinc/75/81/59/619758159.db2.gz CHCGKUNEWJNIQI-CVEARBPZSA-N 1 0 322.430 3.084 20 5 DGBDRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903335086 619759483 /nfs/dbraw/zinc/75/94/83/619759483.db2.gz KOTWOLUHTHFGKB-DIFFPNOSSA-N 1 0 312.373 3.374 20 5 DGBDRO CC[C@@H]([NH2+]C[C@]1(OC(C)C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000903359597 619765265 /nfs/dbraw/zinc/76/52/65/619765265.db2.gz DQIQOKWSADWMND-IAGOWNOFSA-N 1 0 322.405 3.220 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C1CC1 ZINC000903405608 619771390 /nfs/dbraw/zinc/77/13/90/619771390.db2.gz DKBNVZCBZQPLSM-UKRRQHHQSA-N 1 0 324.446 3.216 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000903451723 619778929 /nfs/dbraw/zinc/77/89/29/619778929.db2.gz XECFVNNSACWJBC-UTUOFQBUSA-N 1 0 324.352 3.116 20 5 DGBDRO CC(=O)Nc1ccc(-c2ccc(C[NH+](C)C)s2)cc1[N+](=O)[O-] ZINC000904864225 619956920 /nfs/dbraw/zinc/95/69/20/619956920.db2.gz DMUSSBNLJXVACZ-UHFFFAOYSA-N 1 0 319.386 3.343 20 5 DGBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000905645446 620016740 /nfs/dbraw/zinc/01/67/40/620016740.db2.gz YLQIPGLBDPHLII-YVEFUNNKSA-N 1 0 318.348 3.161 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@@H]2CCC(F)(F)C2)cc1 ZINC000905674861 620017551 /nfs/dbraw/zinc/01/75/51/620017551.db2.gz JWVCYJVVKDGKOF-FZMZJTMJSA-N 1 0 314.332 3.043 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000905852898 620037699 /nfs/dbraw/zinc/03/76/99/620037699.db2.gz OETFSUPWQJMHKS-KGLIPLIRSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000908511363 620209091 /nfs/dbraw/zinc/20/90/91/620209091.db2.gz DDIGZLGSOHQUJC-ZDUSSCGKSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1c(NC(=O)CCCCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000911957891 620356176 /nfs/dbraw/zinc/35/61/76/620356176.db2.gz USRIKQDHRXZNAU-UHFFFAOYSA-N 1 0 319.405 3.402 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000922048887 620983132 /nfs/dbraw/zinc/98/31/32/620983132.db2.gz QGJKHRNQDLMDST-VNQPRFMTSA-N 1 0 304.390 3.198 20 5 DGBDRO CCOc1cncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000922541699 621054138 /nfs/dbraw/zinc/05/41/38/621054138.db2.gz SBIWHNCYXNZBGJ-GFCCVEGCSA-N 1 0 301.346 3.239 20 5 DGBDRO CC[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000922599623 621063453 /nfs/dbraw/zinc/06/34/53/621063453.db2.gz OGHILQZRETVYHC-LLVKDONJSA-N 1 0 314.407 3.114 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000922677175 621079767 /nfs/dbraw/zinc/07/97/67/621079767.db2.gz FHLUTFZZFKEMNH-STQMWFEESA-N 1 0 318.295 3.184 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000922814633 621102635 /nfs/dbraw/zinc/10/26/35/621102635.db2.gz YXTMJRVDJXHCMK-AWEZNQCLSA-N 1 0 320.389 3.185 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c(F)c1 ZINC000922898347 621128640 /nfs/dbraw/zinc/12/86/40/621128640.db2.gz UYDKILHMEARSEF-BBRMVZONSA-N 1 0 308.353 3.029 20 5 DGBDRO Cn1nc(C2CC2)cc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000922947318 621135587 /nfs/dbraw/zinc/13/55/87/621135587.db2.gz GXMWNZFRUXSSSH-XQRVVYSFSA-N 1 0 312.373 3.009 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC000922961261 621139619 /nfs/dbraw/zinc/13/96/19/621139619.db2.gz ZPXWHTYLKDDEJR-GOSISDBHSA-N 1 0 312.369 3.390 20 5 DGBDRO COc1ccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000922967889 621140308 /nfs/dbraw/zinc/14/03/08/621140308.db2.gz LUBDHAOZIYCLLL-AWEZNQCLSA-N 1 0 320.389 3.185 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@H](CO)C3)s2)cc1 ZINC000923006363 621145654 /nfs/dbraw/zinc/14/56/54/621145654.db2.gz BKNTURJZOXKBJC-AULYBMBSSA-N 1 0 318.398 3.184 20 5 DGBDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000858503867 621198855 /nfs/dbraw/zinc/19/88/55/621198855.db2.gz HMKWIKATXBXZIJ-GDBMZVCRSA-N 1 0 318.373 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1 ZINC000859585309 621295349 /nfs/dbraw/zinc/29/53/49/621295349.db2.gz NCSBCGGYFWNEDF-SFHVURJKSA-N 1 0 312.369 3.078 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000756903085 621671810 /nfs/dbraw/zinc/67/18/10/621671810.db2.gz ZIISGRHOSMQKKK-XHDPSFHLSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC(C2CCC2)C2CCC2)c1 ZINC000863563133 621684096 /nfs/dbraw/zinc/68/40/96/621684096.db2.gz NFRDFOVJBRPLRS-SFHVURJKSA-N 1 0 318.417 3.434 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]C[C@H]1COCCN1 ZINC000863650461 621693848 /nfs/dbraw/zinc/69/38/48/621693848.db2.gz SNVSOYNTTAHDBT-KRWDZBQOSA-N 1 0 306.409 3.071 20 5 DGBDRO CC(C)[C@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])cc3ccccc32)n1 ZINC000863656762 621695008 /nfs/dbraw/zinc/69/50/08/621695008.db2.gz NKNUIVQSFLSWEG-AWEZNQCLSA-N 1 0 312.329 3.454 20 5 DGBDRO CC(C)[C@@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])cc3ccccc32)n1 ZINC000863656763 621695278 /nfs/dbraw/zinc/69/52/78/621695278.db2.gz NKNUIVQSFLSWEG-CQSZACIVSA-N 1 0 312.329 3.454 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000865777852 621993751 /nfs/dbraw/zinc/99/37/51/621993751.db2.gz CRIIVJZYTCIIBG-OAHLLOKOSA-N 1 0 304.390 3.200 20 5 DGBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000761216373 621995145 /nfs/dbraw/zinc/99/51/45/621995145.db2.gz PQLAGROKTOEEJL-CUOATXAZSA-N 1 0 312.797 3.397 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865785441 621995546 /nfs/dbraw/zinc/99/55/46/621995546.db2.gz SOQNFPRJRRXMGO-MYDBLKEXSA-N 1 0 316.401 3.260 20 5 DGBDRO Cc1nn(C[N@H+]2CCCCC[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761289822 621999315 /nfs/dbraw/zinc/99/93/15/621999315.db2.gz BUFSSBDFIUVRBS-LBPRGKRZSA-N 1 0 302.378 3.475 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000865839297 622005011 /nfs/dbraw/zinc/00/50/11/622005011.db2.gz KFRLYANZWRRHOS-LBPRGKRZSA-N 1 0 302.378 3.303 20 5 DGBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000866058577 622039499 /nfs/dbraw/zinc/03/94/99/622039499.db2.gz BOFOAIHQKGPPCM-UHFFFAOYSA-N 1 0 321.421 3.052 20 5 DGBDRO Cc1nn(C[N@H+]2CC3(CCC3)C[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000762140495 622056620 /nfs/dbraw/zinc/05/66/20/622056620.db2.gz DVIIMPHTSQCQPG-GFCCVEGCSA-N 1 0 314.389 3.475 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccccc1O ZINC000866253040 622076890 /nfs/dbraw/zinc/07/68/90/622076890.db2.gz CZRCTFJGFFILOI-LBPRGKRZSA-N 1 0 318.348 3.203 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CCc1cccnc1 ZINC000866258779 622077821 /nfs/dbraw/zinc/07/78/21/622077821.db2.gz AUHCYGMBORWKBG-ZDUSSCGKSA-N 1 0 315.373 3.109 20 5 DGBDRO CSC(C)(C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866276716 622083316 /nfs/dbraw/zinc/08/33/16/622083316.db2.gz UJBFVZRWNISJFE-JTQLQIEISA-N 1 0 300.399 3.396 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000866284807 622084677 /nfs/dbraw/zinc/08/46/77/622084677.db2.gz BCXNCJRTYAHPMB-CYHLAULCSA-N 1 0 322.380 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000866288200 622085761 /nfs/dbraw/zinc/08/57/61/622085761.db2.gz DRLBFLMQFBBUGM-JHJVBQTASA-N 1 0 310.369 3.070 20 5 DGBDRO CCC1(O)CCC([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866289204 622086126 /nfs/dbraw/zinc/08/61/26/622086126.db2.gz WIBKLGQJGWFDMM-OLJMKKDRSA-N 1 0 324.396 3.338 20 5 DGBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866302158 622088782 /nfs/dbraw/zinc/08/87/82/622088782.db2.gz YTVHBHREVMZGKX-VXGBXAGGSA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000866305284 622089646 /nfs/dbraw/zinc/08/96/46/622089646.db2.gz GCGQYUMQMKFFST-HZMBPMFUSA-N 1 0 318.352 3.055 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000866309772 622090726 /nfs/dbraw/zinc/09/07/26/622090726.db2.gz BNSHXFYUSFPTEE-OHTBPHCPSA-N 1 0 310.369 3.211 20 5 DGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866314750 622092141 /nfs/dbraw/zinc/09/21/41/622092141.db2.gz OHZCSNQWFORACL-PVXIVEMSSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000866339784 622097573 /nfs/dbraw/zinc/09/75/73/622097573.db2.gz DVAMVSKKQLWOPN-RGYTYGDFSA-N 1 0 322.380 3.212 20 5 DGBDRO COCC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866353843 622101385 /nfs/dbraw/zinc/10/13/85/622101385.db2.gz VJHJPCWQRDNLMH-LBPRGKRZSA-N 1 0 310.369 3.071 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC1CCOCC1 ZINC000866364962 622103763 /nfs/dbraw/zinc/10/37/63/622103763.db2.gz UBQZSJDFBITDNR-CYBMUJFWSA-N 1 0 324.396 3.461 20 5 DGBDRO CO[C@@](C)(C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866365595 622103900 /nfs/dbraw/zinc/10/39/00/622103900.db2.gz UFJADVSFZBEROS-BZNIZROVSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[C@H]1CCOC1 ZINC000866368354 622104651 /nfs/dbraw/zinc/10/46/51/622104651.db2.gz AVPYZTWBYRGUIW-OLZOCXBDSA-N 1 0 310.369 3.071 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[C@@H]1CCOC1 ZINC000866368353 622104823 /nfs/dbraw/zinc/10/48/23/622104823.db2.gz AVPYZTWBYRGUIW-CHWSQXEVSA-N 1 0 310.369 3.071 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000866375156 622106091 /nfs/dbraw/zinc/10/60/91/622106091.db2.gz LIUPEDQBMWSJDT-DIOULYMOSA-N 1 0 312.385 3.050 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(C)CC1(F)F ZINC000866389696 622108775 /nfs/dbraw/zinc/10/87/75/622108775.db2.gz IHGFSHQCXCBTFA-ZANVPECISA-N 1 0 302.296 3.300 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000866388958 622108778 /nfs/dbraw/zinc/10/87/78/622108778.db2.gz BRVZWXXVXMULNZ-TYNCELHUSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCOC1 ZINC000866396099 622110899 /nfs/dbraw/zinc/11/08/99/622110899.db2.gz MPLYHYZTLLJHHD-STQMWFEESA-N 1 0 310.369 3.071 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H]1CCSC1 ZINC000866402578 622111958 /nfs/dbraw/zinc/11/19/58/622111958.db2.gz KTRVZPOGJIEXMN-NWDGAFQWSA-N 1 0 310.419 3.397 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000866508909 622129366 /nfs/dbraw/zinc/12/93/66/622129366.db2.gz SCRFKZPFWJPIJW-YLQAJVPDSA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000866614192 622147269 /nfs/dbraw/zinc/14/72/69/622147269.db2.gz LMXYPBLRNYKEIR-IAQYHMDHSA-N 1 0 314.389 3.402 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H](O)C1CCCC1 ZINC000866638013 622151786 /nfs/dbraw/zinc/15/17/86/622151786.db2.gz CGEKZTVQCGNOQX-PXAZEXFGSA-N 1 0 324.396 3.196 20 5 DGBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848605 622291221 /nfs/dbraw/zinc/29/12/21/622291221.db2.gz IOMKBRMKUOWGJG-UHOFOFEASA-N 1 0 306.406 3.433 20 5 DGBDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848976 622291346 /nfs/dbraw/zinc/29/13/46/622291346.db2.gz MNEMGHHPTBSSNI-UUWFMWQGSA-N 1 0 312.369 3.151 20 5 DGBDRO CCC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000766736015 622350077 /nfs/dbraw/zinc/35/00/77/622350077.db2.gz XXZQVFLNPRMLQZ-WBVHZDCISA-N 1 0 315.373 3.154 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)ccc1Cl ZINC000768548390 622464398 /nfs/dbraw/zinc/46/43/98/622464398.db2.gz BFYAFQCMDGJSBI-GXTWGEPZSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1Cl ZINC000768548393 622464474 /nfs/dbraw/zinc/46/44/74/622464474.db2.gz BFYAFQCMDGJSBI-OCCSQVGLSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000769483632 622533177 /nfs/dbraw/zinc/53/31/77/622533177.db2.gz QWHUESSHNRWBHJ-UHFFFAOYSA-N 1 0 302.330 3.231 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC12CCC2 ZINC000770672170 622659998 /nfs/dbraw/zinc/65/99/98/622659998.db2.gz ZEWMUFOLAIQCLA-CYBMUJFWSA-N 1 0 314.389 3.414 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCn1ccnc1 ZINC000872016023 622752939 /nfs/dbraw/zinc/75/29/39/622752939.db2.gz BSQJPVZPSOONFN-GFCCVEGCSA-N 1 0 320.418 3.254 20 5 DGBDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034424 622764854 /nfs/dbraw/zinc/76/48/54/622764854.db2.gz NYFGOOPCIFFGOA-JTQLQIEISA-N 1 0 307.325 3.232 20 5 DGBDRO Cc1ccc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872034030 622765073 /nfs/dbraw/zinc/76/50/73/622765073.db2.gz FDTOPJYQJJOHIJ-GFCCVEGCSA-N 1 0 303.337 3.331 20 5 DGBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035962 622765360 /nfs/dbraw/zinc/76/53/60/622765360.db2.gz QZWTXYWMEUFZCS-SJKOYZFVSA-N 1 0 318.348 3.292 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1F ZINC000872034757 622766090 /nfs/dbraw/zinc/76/60/90/622766090.db2.gz RBPAGADAOSZORZ-NSHDSACASA-N 1 0 304.321 3.333 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@](C)(O)C1CC1 ZINC000872036056 622766650 /nfs/dbraw/zinc/76/66/50/622766650.db2.gz PLZYJGZYKALSNF-ZUZCIYMTSA-N 1 0 310.419 3.128 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O ZINC000872039334 622768476 /nfs/dbraw/zinc/76/84/76/622768476.db2.gz SMRVQUQGYMZRIS-UTUOFQBUSA-N 1 0 312.435 3.374 20 5 DGBDRO Cc1ncc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872051017 622776680 /nfs/dbraw/zinc/77/66/80/622776680.db2.gz DRNRUJWANITIQY-SECBINFHSA-N 1 0 309.366 3.392 20 5 DGBDRO COC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872052604 622777467 /nfs/dbraw/zinc/77/74/67/622777467.db2.gz PNNYRXZXACYIDJ-IINYFYTJSA-N 1 0 310.419 3.392 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc(CO)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053364 622778420 /nfs/dbraw/zinc/77/84/20/622778420.db2.gz JBRKRRNUZLJDSK-LBPRGKRZSA-N 1 0 318.348 3.120 20 5 DGBDRO C[C@H](NC1CC([NH+]2CCCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872070155 622788704 /nfs/dbraw/zinc/78/87/04/622788704.db2.gz YBKSOAKBWTYJBD-HSBZDZAISA-N 1 0 321.396 3.401 20 5 DGBDRO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076980 622791964 /nfs/dbraw/zinc/79/19/64/622791964.db2.gz WSSXQXACOJYARU-WODVXLOZSA-N 1 0 307.369 3.010 20 5 DGBDRO C[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872085624 622796547 /nfs/dbraw/zinc/79/65/47/622796547.db2.gz QCUKDLURFHHHPR-CFVMTHIKSA-N 1 0 321.396 3.401 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000872105107 622807768 /nfs/dbraw/zinc/80/77/68/622807768.db2.gz AQPFDFHBIBHLKI-BXUZGUMPSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000872249242 622866826 /nfs/dbraw/zinc/86/68/26/622866826.db2.gz GMVUJBFWTJZHHX-IYOUNJFTSA-N 1 0 314.385 3.410 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872664650 622949219 /nfs/dbraw/zinc/94/92/19/622949219.db2.gz WFOLLYLVWNKZAS-UHFFFAOYSA-N 1 0 318.421 3.143 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000772982584 622960893 /nfs/dbraw/zinc/96/08/93/622960893.db2.gz XMVYBCZIIRINNV-LLVKDONJSA-N 1 0 321.764 3.373 20 5 DGBDRO CN(CCCCCC[NH3+])c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000872784421 622978276 /nfs/dbraw/zinc/97/82/76/622978276.db2.gz SULGANXOWAPYTE-UHFFFAOYSA-N 1 0 301.337 3.488 20 5 DGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000773120927 622987633 /nfs/dbraw/zinc/98/76/33/622987633.db2.gz SYORHBXHDSMTGD-ZDUSSCGKSA-N 1 0 312.369 3.423 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000873007158 623016055 /nfs/dbraw/zinc/01/60/55/623016055.db2.gz IYCYEYZTYDWCAE-MRXNPFEDSA-N 1 0 317.389 3.197 20 5 DGBDRO CCC[NH+]1CCC(NCc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873009488 623016989 /nfs/dbraw/zinc/01/69/89/623016989.db2.gz LUGLUOIVLYYCEA-UHFFFAOYSA-N 1 0 305.422 3.176 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873029930 623021442 /nfs/dbraw/zinc/02/14/42/623021442.db2.gz WCOGAKXOKLFHIG-HNNXBMFYSA-N 1 0 305.422 3.033 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000873043929 623024972 /nfs/dbraw/zinc/02/49/72/623024972.db2.gz WUNVYIYOJUJKNU-LBPRGKRZSA-N 1 0 300.358 3.330 20 5 DGBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873051764 623025309 /nfs/dbraw/zinc/02/53/09/623025309.db2.gz GQIQJVRSSJJEKC-HNNXBMFYSA-N 1 0 312.373 3.169 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@](C)(O)c1ccsc1 ZINC000873059286 623026801 /nfs/dbraw/zinc/02/68/01/623026801.db2.gz OZDMKQHRFFLZMB-INIZCTEOSA-N 1 0 320.414 3.270 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)C[C@H](O)c1ccco1 ZINC000873097958 623036260 /nfs/dbraw/zinc/03/62/60/623036260.db2.gz ZQWBDAXKKHDNHG-WBMJQRKESA-N 1 0 318.373 3.406 20 5 DGBDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873126527 623041810 /nfs/dbraw/zinc/04/18/10/623041810.db2.gz UCIFGBKFCNFSJY-KDOFPFPSSA-N 1 0 314.385 3.423 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873157236 623055912 /nfs/dbraw/zinc/05/59/12/623055912.db2.gz URFUJDQLVBSEIA-VZJVUDMVSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@@H](OC(=O)c1ccc2c[nH+]cn2c1)c1cccc([N+](=O)[O-])c1 ZINC000790240530 625621175 /nfs/dbraw/zinc/62/11/75/625621175.db2.gz AEFKOLYEISNVIQ-LLVKDONJSA-N 1 0 311.297 3.161 20 5 DGBDRO CC1(C)[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C[C@@H]21 ZINC000774638565 623169348 /nfs/dbraw/zinc/16/93/48/623169348.db2.gz SONCODXMCCRTJT-TXEJJXNPSA-N 1 0 320.780 3.143 20 5 DGBDRO C[C@@H]1C[C@@H](C)[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639251 623169567 /nfs/dbraw/zinc/16/95/67/623169567.db2.gz UYHFMAYOFRIYOJ-NXEZZACHSA-N 1 0 308.769 3.286 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCN2C2CC2)cc1Cl ZINC000775157903 623237028 /nfs/dbraw/zinc/23/70/28/623237028.db2.gz LRUQIEYVOYYPRA-CQSZACIVSA-N 1 0 323.824 3.355 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000124838784 623240803 /nfs/dbraw/zinc/24/08/03/623240803.db2.gz WLXVDPRPVQGWLZ-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO CCCCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000776024457 623366350 /nfs/dbraw/zinc/36/63/50/623366350.db2.gz ZDAJSBOUSPDKAM-HNNXBMFYSA-N 1 0 323.437 3.341 20 5 DGBDRO CCc1ccc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776271314 623405008 /nfs/dbraw/zinc/40/50/08/623405008.db2.gz KKRTZCWVHYELOU-GOSISDBHSA-N 1 0 314.385 3.323 20 5 DGBDRO C[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275170 623405419 /nfs/dbraw/zinc/40/54/19/623405419.db2.gz JMHVKWAELABVMX-IAQYHMDHSA-N 1 0 318.398 3.309 20 5 DGBDRO CC[N@H+](CCc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276626 623405769 /nfs/dbraw/zinc/40/57/69/623405769.db2.gz LEKAODWKGHCATC-SFHVURJKSA-N 1 0 314.385 3.193 20 5 DGBDRO C[C@H](c1cccs1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278585 623405982 /nfs/dbraw/zinc/40/59/82/623405982.db2.gz RJVVBXXCZBVMAI-RISCZKNCSA-N 1 0 306.387 3.383 20 5 DGBDRO CC(C)C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278454 623406201 /nfs/dbraw/zinc/40/62/01/623406201.db2.gz SYGUKXUQQPKREA-RHSMWYFYSA-N 1 0 306.406 3.386 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000776578166 623441975 /nfs/dbraw/zinc/44/19/75/623441975.db2.gz DRTIXCGBOQJWIQ-WMZOPIPTSA-N 1 0 312.369 3.118 20 5 DGBDRO C[C@@H](C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776581883 623442918 /nfs/dbraw/zinc/44/29/18/623442918.db2.gz OINDBKKVYOWWMA-KBXCAEBGSA-N 1 0 314.385 3.364 20 5 DGBDRO CCS[C@@H]1CCCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581691 623443344 /nfs/dbraw/zinc/44/33/44/623443344.db2.gz HMDPKIXXXJPWFD-HZPDHXFCSA-N 1 0 324.446 3.236 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC3(CCCC3)CC2)cc1 ZINC000776584300 623443471 /nfs/dbraw/zinc/44/34/71/623443471.db2.gz KLHNRURNGPODER-MRXNPFEDSA-N 1 0 304.390 3.284 20 5 DGBDRO CC[C@H](c1ccncc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602135 623446099 /nfs/dbraw/zinc/44/60/99/623446099.db2.gz SLIUXZWGYMLVDN-SJORKVTESA-N 1 0 315.373 3.106 20 5 DGBDRO CO[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000777013007 623485623 /nfs/dbraw/zinc/48/56/23/623485623.db2.gz TVSWEDRJQJJFSW-ZWNOBZJWSA-N 1 0 320.311 3.083 20 5 DGBDRO CC1CC[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777952171 623590161 /nfs/dbraw/zinc/59/01/61/623590161.db2.gz YLIDDMZJNSZXLH-UHFFFAOYSA-N 1 0 300.362 3.148 20 5 DGBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@H]1C ZINC000777958566 623590992 /nfs/dbraw/zinc/59/09/92/623590992.db2.gz RHWWVMHJMDIKPN-KGLIPLIRSA-N 1 0 314.389 3.394 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000876570512 623647583 /nfs/dbraw/zinc/64/75/83/623647583.db2.gz FCQMCSFOYVUMDU-AWEZNQCLSA-N 1 0 304.390 3.213 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000876759304 623699173 /nfs/dbraw/zinc/69/91/73/623699173.db2.gz ONIYRXMHFCLLMN-MRXNPFEDSA-N 1 0 317.433 3.129 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000876804739 623710710 /nfs/dbraw/zinc/71/07/10/623710710.db2.gz TYTSLYIVYVVDAY-YOEHRIQHSA-N 1 0 304.390 3.213 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](c3cccs3)C3CC3)C2)c1 ZINC000876909291 623742215 /nfs/dbraw/zinc/74/22/15/623742215.db2.gz WTDAMGJUDKUILA-KOHJWAIASA-N 1 0 318.402 3.297 20 5 DGBDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000876945934 623751138 /nfs/dbraw/zinc/75/11/38/623751138.db2.gz LXCRQRYKDBVYPU-ZIULKBFBSA-N 1 0 316.361 3.001 20 5 DGBDRO Cc1cccc2c1CC[C@H]2[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877015327 623766681 /nfs/dbraw/zinc/76/66/81/623766681.db2.gz LVYVMFZXJWBSHB-QWQCLYJRSA-N 1 0 312.373 3.080 20 5 DGBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1nc(C)cs1 ZINC000877025136 623768686 /nfs/dbraw/zinc/76/86/86/623768686.db2.gz CQVFYUPMCPJVKG-XIVSLSHWSA-N 1 0 321.406 3.001 20 5 DGBDRO CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccs1 ZINC000877040935 623773592 /nfs/dbraw/zinc/77/35/92/623773592.db2.gz UELACNOKLXVDRE-UHFFFAOYSA-N 1 0 320.418 3.124 20 5 DGBDRO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)Cc1cccs1 ZINC000877069615 623783224 /nfs/dbraw/zinc/78/32/24/623783224.db2.gz BTSVMBMTFJCNNK-PNESKVBLSA-N 1 0 320.418 3.025 20 5 DGBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](C)c1ccccc1 ZINC000877080704 623786504 /nfs/dbraw/zinc/78/65/04/623786504.db2.gz NCGWPRATTOZGLF-LOCSVTFISA-N 1 0 314.389 3.277 20 5 DGBDRO CCS[C@@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877086280 623788080 /nfs/dbraw/zinc/78/80/80/623788080.db2.gz ZYIDNUFCKDUAMK-XZNOPERXSA-N 1 0 324.450 3.149 20 5 DGBDRO CCS[C@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877086278 623788083 /nfs/dbraw/zinc/78/80/83/623788083.db2.gz ZYIDNUFCKDUAMK-LPXQKFACSA-N 1 0 324.450 3.149 20 5 DGBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877131231 623799561 /nfs/dbraw/zinc/79/95/61/623799561.db2.gz XNZUZVXEMGFPSH-DOMZBBRYSA-N 1 0 320.414 3.301 20 5 DGBDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877131233 623799848 /nfs/dbraw/zinc/79/98/48/623799848.db2.gz XNZUZVXEMGFPSH-IUODEOHRSA-N 1 0 320.414 3.301 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3C[C@H]3C3CCCCC3)C2)c1 ZINC000877156217 623810101 /nfs/dbraw/zinc/81/01/01/623810101.db2.gz RTKXINWHJSYMFA-BGHVQYPCSA-N 1 0 304.394 3.053 20 5 DGBDRO Cc1nn(CN2CCCC3(C2)CCCCCC3)cc1[N+](=O)[O-] ZINC000779862718 623823310 /nfs/dbraw/zinc/82/33/10/623823310.db2.gz DQWVNQUAYVBLKG-UHFFFAOYSA-N 1 0 306.410 3.494 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000877478338 623902486 /nfs/dbraw/zinc/90/24/86/623902486.db2.gz MYDQMQPGIRTPQI-HNNXBMFYSA-N 1 0 305.422 3.128 20 5 DGBDRO C[C@@H]1CCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@H]1C ZINC000877495451 623910926 /nfs/dbraw/zinc/91/09/26/623910926.db2.gz WZFVRVUIBLXEBK-OEGGNGQFSA-N 1 0 306.410 3.157 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000877507548 623916086 /nfs/dbraw/zinc/91/60/86/623916086.db2.gz PECBBRQJXSCPKQ-DLBZAZTESA-N 1 0 304.390 3.355 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000877527797 623924331 /nfs/dbraw/zinc/92/43/31/623924331.db2.gz RQGIOVFEPXWQHP-GOSISDBHSA-N 1 0 314.385 3.425 20 5 DGBDRO COc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000877557897 623940520 /nfs/dbraw/zinc/94/05/20/623940520.db2.gz RNGXIMJSKLZRCJ-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cccc1[N+](=O)[O-] ZINC000790695259 625687642 /nfs/dbraw/zinc/68/76/42/625687642.db2.gz LOXXVYGBEGNYLV-BPLDGKMQSA-N 1 0 324.471 3.372 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](c1ccccc1)[C@@H](C)O ZINC000877641861 623974724 /nfs/dbraw/zinc/97/47/24/623974724.db2.gz CJSXDSFKGIXSQV-RDTXWAMCSA-N 1 0 314.385 3.423 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877741359 624014039 /nfs/dbraw/zinc/01/40/39/624014039.db2.gz VJDNVYISEDWYPF-OCCSQVGLSA-N 1 0 322.430 3.178 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000126713127 624029781 /nfs/dbraw/zinc/02/97/81/624029781.db2.gz LVGHETQNNXOWRR-BXUZGUMPSA-N 1 0 306.387 3.349 20 5 DGBDRO CC1([NH+]2CCCCC2)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000877795292 624036542 /nfs/dbraw/zinc/03/65/42/624036542.db2.gz FPTXMGXBHCFODK-UHFFFAOYSA-N 1 0 317.433 3.435 20 5 DGBDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000877812669 624044116 /nfs/dbraw/zinc/04/41/16/624044116.db2.gz DRALGZNVIQUMNJ-CYBMUJFWSA-N 1 0 303.387 3.349 20 5 DGBDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000877813310 624045727 /nfs/dbraw/zinc/04/57/27/624045727.db2.gz KUJVBFCJFOYRAD-GFCCVEGCSA-N 1 0 321.377 3.488 20 5 DGBDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000877823422 624054863 /nfs/dbraw/zinc/05/48/63/624054863.db2.gz ZCYGIROMIHUEMP-AWEZNQCLSA-N 1 0 320.389 3.068 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000877836090 624064896 /nfs/dbraw/zinc/06/48/96/624064896.db2.gz MOXHAWMPFJGHGS-GLNPCMGASA-N 1 0 304.390 3.091 20 5 DGBDRO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCCC1 ZINC000877934191 624099390 /nfs/dbraw/zinc/09/93/90/624099390.db2.gz DXCNSCCJNQURMY-UHFFFAOYSA-N 1 0 316.361 3.409 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878030999 624142649 /nfs/dbraw/zinc/14/26/49/624142649.db2.gz NIFIIJDQJOYJOS-VIFPVBQESA-N 1 0 322.752 3.140 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878093836 624164387 /nfs/dbraw/zinc/16/43/87/624164387.db2.gz NUPMOTOBWKUTAE-LLVKDONJSA-N 1 0 304.350 3.123 20 5 DGBDRO CC(C)[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878182397 624205901 /nfs/dbraw/zinc/20/59/01/624205901.db2.gz ILEGAEWUNSVMFT-GFCCVEGCSA-N 1 0 316.361 3.123 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(CCC2)O1 ZINC000878599402 624318151 /nfs/dbraw/zinc/31/81/51/624318151.db2.gz YEHWFJBNNZEISO-HNNXBMFYSA-N 1 0 304.390 3.171 20 5 DGBDRO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CC1(C)C ZINC000879008284 624407577 /nfs/dbraw/zinc/40/75/77/624407577.db2.gz QYPIXNTWDJOSLC-LLVKDONJSA-N 1 0 316.361 3.123 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC000879239454 624457433 /nfs/dbraw/zinc/45/74/33/624457433.db2.gz BGVBYTXYCDBQQB-ROUUACIJSA-N 1 0 312.369 3.293 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@@H]3CSC[C@@H]3C2)c(F)c1 ZINC000879566365 624593007 /nfs/dbraw/zinc/59/30/07/624593007.db2.gz UOAHAKFZBVWFBK-ZJUUUORDSA-N 1 0 314.357 3.058 20 5 DGBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000785546032 624684559 /nfs/dbraw/zinc/68/45/59/624684559.db2.gz KEQQIFRJNLPCJG-UEKVPHQBSA-N 1 0 312.797 3.230 20 5 DGBDRO Cc1csc([C@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000880011783 624754250 /nfs/dbraw/zinc/75/42/50/624754250.db2.gz RGPBUFKHTLCSSB-NSHDSACASA-N 1 0 321.377 3.488 20 5 DGBDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128380787 624938973 /nfs/dbraw/zinc/93/89/73/624938973.db2.gz KDHHUPREFMFKTL-LBPRGKRZSA-N 1 0 323.368 3.185 20 5 DGBDRO O=C(OCc1csc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786884922 624962068 /nfs/dbraw/zinc/96/20/68/624962068.db2.gz YGYIQOWZJLBVSO-CYBMUJFWSA-N 1 0 324.402 3.107 20 5 DGBDRO C[C@H]([NH2+]CCc1c(F)cccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788549286 625214039 /nfs/dbraw/zinc/21/40/39/625214039.db2.gz VRDCVBHOKCPBDS-JTQLQIEISA-N 1 0 321.327 3.349 20 5 DGBDRO CCCC(O)(CCC)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788602399 625225602 /nfs/dbraw/zinc/22/56/02/625225602.db2.gz NGSUCXDPZUTFQL-GFCCVEGCSA-N 1 0 309.410 3.159 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000790995680 625733095 /nfs/dbraw/zinc/73/30/95/625733095.db2.gz ALFKFTDHUWGUDG-UHFFFAOYSA-N 1 0 315.329 3.410 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000790995910 625733138 /nfs/dbraw/zinc/73/31/38/625733138.db2.gz DWUKYWIORFFAJD-YOEHRIQHSA-N 1 0 306.406 3.444 20 5 DGBDRO CC(C)c1c[nH]c(CNC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000883127252 625934672 /nfs/dbraw/zinc/93/46/72/625934672.db2.gz PYVLPNLKGCEVAF-UHFFFAOYSA-N 1 0 302.378 3.466 20 5 DGBDRO Cc1ccccc1[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796115367 626023496 /nfs/dbraw/zinc/02/34/96/626023496.db2.gz YYJDOSWDMMHDMS-GOSISDBHSA-N 1 0 314.385 3.111 20 5 DGBDRO C[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000796840401 626088506 /nfs/dbraw/zinc/08/85/06/626088506.db2.gz WWENWQIQBNJRRV-BPUTZDHNSA-N 1 0 323.824 3.211 20 5 DGBDRO CC1=C[C@@H](C)C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000797419106 626141343 /nfs/dbraw/zinc/14/13/43/626141343.db2.gz BSYKIFPVCASMDM-CYBMUJFWSA-N 1 0 312.373 3.314 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2cccs2)cc1F ZINC000801539676 626408933 /nfs/dbraw/zinc/40/89/33/626408933.db2.gz MLWFFRRBXXROFR-GFCCVEGCSA-N 1 0 310.350 3.009 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[C@@H](C)C1 ZINC000801548655 626409285 /nfs/dbraw/zinc/40/92/85/626409285.db2.gz KQEMGIRNVVDQDF-OCCSQVGLSA-N 1 0 310.369 3.371 20 5 DGBDRO Cc1ccccc1OCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801601240 626412080 /nfs/dbraw/zinc/41/20/80/626412080.db2.gz CYQZHDLNDRQFAX-UHFFFAOYSA-N 1 0 314.385 3.457 20 5 DGBDRO CC[C@@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000803613895 626624778 /nfs/dbraw/zinc/62/47/78/626624778.db2.gz MFSWVOPHKNTTKA-ZDUSSCGKSA-N 1 0 307.394 3.171 20 5 DGBDRO C=C/C=C\CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000883267431 626630414 /nfs/dbraw/zinc/63/04/14/626630414.db2.gz DVKVLECQMWGABI-ZFDPJTLLSA-N 1 0 303.362 3.034 20 5 DGBDRO C=C/C=C\CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000883267510 626630539 /nfs/dbraw/zinc/63/05/39/626630539.db2.gz IGIKHDQWWVTNIW-DSYXLKISSA-N 1 0 303.362 3.034 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000883317706 626644791 /nfs/dbraw/zinc/64/47/91/626644791.db2.gz SDPCAOLJRUQEJY-XBXGTLAGSA-N 1 0 316.357 3.369 20 5 DGBDRO C[C@H](OC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000803858873 626645379 /nfs/dbraw/zinc/64/53/79/626645379.db2.gz KHKXOZQXMXNSMN-ZFWWWQNUSA-N 1 0 320.389 3.464 20 5 DGBDRO C[C@@H](OC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000803858871 626645449 /nfs/dbraw/zinc/64/54/49/626645449.db2.gz KHKXOZQXMXNSMN-HIFRSBDPSA-N 1 0 320.389 3.464 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000883319701 626646020 /nfs/dbraw/zinc/64/60/20/626646020.db2.gz MBPJHZHOAQLAIV-QEORTHHSSA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000883340297 626653146 /nfs/dbraw/zinc/65/31/46/626653146.db2.gz NMNDSXCSMXFSBR-MRXNPFEDSA-N 1 0 318.398 3.234 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883352898 626657226 /nfs/dbraw/zinc/65/72/26/626657226.db2.gz KFDZYWJRFVNDDS-INWMFGNUSA-N 1 0 324.396 3.460 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883353554 626657969 /nfs/dbraw/zinc/65/79/69/626657969.db2.gz XBQTYCYJYNLSBY-RCBQFDQVSA-N 1 0 304.390 3.377 20 5 DGBDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000883356479 626658734 /nfs/dbraw/zinc/65/87/34/626658734.db2.gz PEZZDCFYDGONAB-DGCLKSJQSA-N 1 0 309.435 3.062 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CCC2(COC2)CC1 ZINC000883390847 626670729 /nfs/dbraw/zinc/67/07/29/626670729.db2.gz WDTHLNDXYFVJFT-UHFFFAOYSA-N 1 0 310.781 3.297 20 5 DGBDRO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000804349997 626672295 /nfs/dbraw/zinc/67/22/95/626672295.db2.gz SUVULSQGCUYFEV-NEPJUHHUSA-N 1 0 322.365 3.035 20 5 DGBDRO CC(C)[NH+](CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(C)C ZINC000804530015 626689790 /nfs/dbraw/zinc/68/97/90/626689790.db2.gz RFLGDOIPHTVOSH-UHFFFAOYSA-N 1 0 324.381 3.424 20 5 DGBDRO C[NH+](C)CC1CCC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804565734 626693216 /nfs/dbraw/zinc/69/32/16/626693216.db2.gz RFIHAZHXIHULAS-UHFFFAOYSA-N 1 0 322.365 3.035 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCCC[NH+]1CCCCC1 ZINC000807917912 626777521 /nfs/dbraw/zinc/77/75/21/626777521.db2.gz CRPPWNAKJJAPSC-UHFFFAOYSA-N 1 0 305.378 3.085 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCCC[N@H+]1CCCC[C@H]1C ZINC000807918627 626777536 /nfs/dbraw/zinc/77/75/36/626777536.db2.gz XXAVEUGBBMEFLZ-CYBMUJFWSA-N 1 0 319.405 3.474 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](CC(C)C)CC1 ZINC000807924771 626778207 /nfs/dbraw/zinc/77/82/07/626778207.db2.gz UMMLUTDSYAOOBW-UHFFFAOYSA-N 1 0 319.405 3.330 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000808049988 626789215 /nfs/dbraw/zinc/78/92/15/626789215.db2.gz NJOYMIVVVOCGKH-HNNXBMFYSA-N 1 0 317.389 3.226 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H](C4CC4)C3)c2c1 ZINC000808229943 626806536 /nfs/dbraw/zinc/80/65/36/626806536.db2.gz DWDWIDHMXIMVQO-AWEZNQCLSA-N 1 0 300.362 3.024 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000808230017 626807214 /nfs/dbraw/zinc/80/72/14/626807214.db2.gz FPLZAHQNFDJIDU-AWEZNQCLSA-N 1 0 314.389 3.332 20 5 DGBDRO CCCC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)[C@@H]1CCCC[C@H]1OC ZINC000840134302 626816864 /nfs/dbraw/zinc/81/68/64/626816864.db2.gz MMFBVMPEAJLWED-GDBMZVCRSA-N 1 0 324.425 3.117 20 5 DGBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCC[NH+]1CCCC1 ZINC000800199124 626824092 /nfs/dbraw/zinc/82/40/92/626824092.db2.gz GUBXIBMPHMPPGT-YPKPFQOOSA-N 1 0 318.373 3.027 20 5 DGBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000808443675 626824932 /nfs/dbraw/zinc/82/49/32/626824932.db2.gz ALKHMNZTHPBVHV-BYHUBBRMSA-N 1 0 312.369 3.320 20 5 DGBDRO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1c1ccccc1 ZINC000840182102 626923031 /nfs/dbraw/zinc/92/30/31/626923031.db2.gz NQXRFJLJDZTHFG-HOTGVXAUSA-N 1 0 314.389 3.407 20 5 DGBDRO [NH3+]CCN(Cc1ccnc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000809736277 626943433 /nfs/dbraw/zinc/94/34/33/626943433.db2.gz MQMVBPYQEQUOPN-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO [NH3+]CCN(Cc1cc(F)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809736474 626943479 /nfs/dbraw/zinc/94/34/79/626943479.db2.gz WNUXCHWDVFFXBT-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO Cc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1F ZINC000809736113 626943673 /nfs/dbraw/zinc/94/36/73/626943673.db2.gz FHTWNNNBSYVLBA-UHFFFAOYSA-N 1 0 303.337 3.008 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+](CCO)C1CCC1 ZINC000809985855 626965520 /nfs/dbraw/zinc/96/55/20/626965520.db2.gz SXCUJNXRNOFWGD-UHFFFAOYSA-N 1 0 319.188 3.248 20 5 DGBDRO COc1ccc([C@@H](C)N(C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885931433 627062820 /nfs/dbraw/zinc/06/28/20/627062820.db2.gz UXVIJILENCEHCQ-GFCCVEGCSA-N 1 0 301.346 3.191 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000885963385 627071768 /nfs/dbraw/zinc/07/17/68/627071768.db2.gz MNROMQMXZMJKLE-MRXNPFEDSA-N 1 0 315.348 3.336 20 5 DGBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C12CCC2 ZINC000886280558 627130523 /nfs/dbraw/zinc/13/05/23/627130523.db2.gz GYGDZSXEQPZGLZ-KGLIPLIRSA-N 1 0 319.405 3.206 20 5 DGBDRO Cc1c(C[NH2+][C@H](c2cnn(C)c2)C(C)C)cccc1[N+](=O)[O-] ZINC000886599291 627170654 /nfs/dbraw/zinc/17/06/54/627170654.db2.gz VNTHFCDHJNXIRN-INIZCTEOSA-N 1 0 302.378 3.124 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886680694 627188410 /nfs/dbraw/zinc/18/84/10/627188410.db2.gz JYMDJRZEVZEBDN-ZIAGYGMSSA-N 1 0 312.373 3.325 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886703177 627194885 /nfs/dbraw/zinc/19/48/85/627194885.db2.gz ODOAHLZVQBMGGO-IUODEOHRSA-N 1 0 302.374 3.131 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000886707243 627195669 /nfs/dbraw/zinc/19/56/69/627195669.db2.gz BXERVDUQIQDKQO-UHFFFAOYSA-N 1 0 303.406 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886830914 627209498 /nfs/dbraw/zinc/20/94/98/627209498.db2.gz ZRENTOBWTZRLPA-XHDPSFHLSA-N 1 0 310.781 3.249 20 5 DGBDRO CSc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000811506958 627283290 /nfs/dbraw/zinc/28/32/90/627283290.db2.gz MHRJKDBVJPENDY-UHFFFAOYSA-N 1 0 323.443 3.344 20 5 DGBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000811848892 627329524 /nfs/dbraw/zinc/32/95/24/627329524.db2.gz YRJPIEFTWRUEGL-JTQLQIEISA-N 1 0 308.407 3.345 20 5 DGBDRO CC[NH+](CC)CC(C)(C)COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000813150861 627459104 /nfs/dbraw/zinc/45/91/04/627459104.db2.gz NHSJMLIETJWPNR-UHFFFAOYSA-N 1 0 322.405 3.428 20 5 DGBDRO COC(=O)[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC(C)C ZINC000813333374 627479406 /nfs/dbraw/zinc/47/94/06/627479406.db2.gz MGEZPKNIQUDJCI-PMGBHYCQSA-N 1 0 320.389 3.033 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[N@@H+](C)C1CC1 ZINC000840317113 627559468 /nfs/dbraw/zinc/55/94/68/627559468.db2.gz YOTSYXVXJTZPRH-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(Cl)cc1[N+](=O)[O-] ZINC000814909878 627606199 /nfs/dbraw/zinc/60/61/99/627606199.db2.gz PKAOCFIHSWPUMG-MRXNPFEDSA-N 1 0 323.824 3.479 20 5 DGBDRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815590409 627688405 /nfs/dbraw/zinc/68/84/05/627688405.db2.gz VIYGGQICVKHOFQ-NEPJUHHUSA-N 1 0 300.362 3.292 20 5 DGBDRO C[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596316 627689027 /nfs/dbraw/zinc/68/90/27/627689027.db2.gz QHJMCRSUEYTXTO-MLGOLLRUSA-N 1 0 321.421 3.423 20 5 DGBDRO C[C@@H]([NH2+]CCSCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600016 627689993 /nfs/dbraw/zinc/68/99/93/627689993.db2.gz IZWOWPBCUWDHDC-MRVPVSSYSA-N 1 0 323.340 3.123 20 5 DGBDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815617322 627690984 /nfs/dbraw/zinc/69/09/84/627690984.db2.gz KUOPBDYNCJZSCV-MZPVMMEZSA-N 1 0 319.405 3.033 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000925152276 627713735 /nfs/dbraw/zinc/71/37/35/627713735.db2.gz HZKSWSALRDODBV-HOCLYGCPSA-N 1 0 306.406 3.058 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000925152274 627713866 /nfs/dbraw/zinc/71/38/66/627713866.db2.gz HZKSWSALRDODBV-GDBMZVCRSA-N 1 0 306.406 3.058 20 5 DGBDRO C[C@@H]1CC2(CC([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)C2)CO1 ZINC000925515519 627745540 /nfs/dbraw/zinc/74/55/40/627745540.db2.gz UABQLHJHEKOLNL-CKQAKLJMSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000817299097 627879633 /nfs/dbraw/zinc/87/96/33/627879633.db2.gz VGINVGVBLAJTEV-GFCCVEGCSA-N 1 0 312.797 3.233 20 5 DGBDRO [NH3+][C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000817907771 627958492 /nfs/dbraw/zinc/95/84/92/627958492.db2.gz VPTQYYSXCHWYBN-HOTGVXAUSA-N 1 0 317.776 3.483 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817907885 627958943 /nfs/dbraw/zinc/95/89/43/627958943.db2.gz YNWXZGMCTGSALB-CWRNSKLLSA-N 1 0 323.824 3.259 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926951655 627988452 /nfs/dbraw/zinc/98/84/52/627988452.db2.gz UAGAYMNTWIVSKK-AXTRIDKLSA-N 1 0 300.280 3.370 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000927057081 628004093 /nfs/dbraw/zinc/00/40/93/628004093.db2.gz GEHRTJRPQRDXOW-GVAFMPQTSA-N 1 0 320.389 3.236 20 5 DGBDRO CCC[C@H]([NH2+]CCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000927077933 628009296 /nfs/dbraw/zinc/00/92/96/628009296.db2.gz GLKNMWFGXKWVDJ-KRWDZBQOSA-N 1 0 322.405 3.221 20 5 DGBDRO C[C@H](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000818992868 628075006 /nfs/dbraw/zinc/07/50/06/628075006.db2.gz FQLUEKAQQJPEBT-KDOFPFPSSA-N 1 0 314.385 3.412 20 5 DGBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819016036 628078783 /nfs/dbraw/zinc/07/87/83/628078783.db2.gz FVNUDMAVBNXYRY-FRFSOERESA-N 1 0 306.406 3.433 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CSc3ccccc32)c1 ZINC000819082813 628089130 /nfs/dbraw/zinc/08/91/30/628089130.db2.gz VWQIAVFJRNVLIK-GJZGRUSLSA-N 1 0 316.382 3.065 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000819102865 628091796 /nfs/dbraw/zinc/09/17/96/628091796.db2.gz BLDDIWGXHPHUCP-BRWVUGGUSA-N 1 0 304.390 3.187 20 5 DGBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000819103569 628092757 /nfs/dbraw/zinc/09/27/57/628092757.db2.gz JTECRUKLFZSKJC-MLGOLLRUSA-N 1 0 320.414 3.158 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000819108572 628093494 /nfs/dbraw/zinc/09/34/94/628093494.db2.gz HRKBGFHIWSZKFA-GKLJAUDBSA-N 1 0 304.390 3.187 20 5 DGBDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000819261509 628122748 /nfs/dbraw/zinc/12/27/48/628122748.db2.gz LJJLDGDNDNLWMO-QGZVFWFLSA-N 1 0 300.358 3.035 20 5 DGBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000819262590 628122926 /nfs/dbraw/zinc/12/29/26/628122926.db2.gz WZCOXOQOGNAQPU-SFHVURJKSA-N 1 0 314.385 3.343 20 5 DGBDRO CC[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000819372296 628143080 /nfs/dbraw/zinc/14/30/80/628143080.db2.gz YZOQHFLDBPYKJJ-GWCFXTLKSA-N 1 0 320.311 3.196 20 5 DGBDRO Cc1ccc(-c2noc([C@H]3C[C@H](C)CC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822723551 628484737 /nfs/dbraw/zinc/48/47/37/628484737.db2.gz XYYGORJZRJFZBF-BXKDBHETSA-N 1 0 302.334 3.014 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](CO)c1ccccc1 ZINC000824696558 628684786 /nfs/dbraw/zinc/68/47/86/628684786.db2.gz OVWDKPPYEWSRBV-MRXNPFEDSA-N 1 0 320.776 3.414 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1Cl ZINC000824715166 628686560 /nfs/dbraw/zinc/68/65/60/628686560.db2.gz IQWQKUFTQOEYSX-BJJXKVORSA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(CF)CCOCC1 ZINC000824795273 628694760 /nfs/dbraw/zinc/69/47/60/628694760.db2.gz SCFSPNLEKQYBNT-UHFFFAOYSA-N 1 0 316.760 3.104 20 5 DGBDRO CCc1nc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])co1 ZINC000825056213 628722487 /nfs/dbraw/zinc/72/24/87/628722487.db2.gz DVEROGTUKOSWNS-GFCCVEGCSA-N 1 0 303.362 3.256 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000825332394 628750933 /nfs/dbraw/zinc/75/09/33/628750933.db2.gz WIJYZBYHVUNYET-ZDUSSCGKSA-N 1 0 311.813 3.163 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000829572678 629170505 /nfs/dbraw/zinc/17/05/05/629170505.db2.gz SNVPVNWNKFBTLV-LBPRGKRZSA-N 1 0 320.418 3.123 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000831315384 629361112 /nfs/dbraw/zinc/36/11/12/629361112.db2.gz ZHJCXFBIXVAPBQ-HUUCEWRRSA-N 1 0 308.353 3.171 20 5 DGBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000832094298 629441686 /nfs/dbraw/zinc/44/16/86/629441686.db2.gz PDGZDRRAKKBGNX-CYBMUJFWSA-N 1 0 314.813 3.477 20 5 DGBDRO CO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000832204875 629450153 /nfs/dbraw/zinc/45/01/53/629450153.db2.gz UHYVIGOTMGSCDY-GJZGRUSLSA-N 1 0 308.353 3.123 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H](C)C1 ZINC000832690463 629504780 /nfs/dbraw/zinc/50/47/80/629504780.db2.gz IABIVTOIBZOXGH-CXUGXGMPSA-N 1 0 306.406 3.433 20 5 DGBDRO C[C@@H]([NH2+]CCCC1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834819109 629783781 /nfs/dbraw/zinc/78/37/81/629783781.db2.gz SFTHKIJWISUFFU-GFCCVEGCSA-N 1 0 307.394 3.034 20 5 DGBDRO C[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834906266 629804627 /nfs/dbraw/zinc/80/46/27/629804627.db2.gz NTMBOTLFYTZFEA-LBPRGKRZSA-N 1 0 321.421 3.159 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834909785 629806811 /nfs/dbraw/zinc/80/68/11/629806811.db2.gz MDNZSTVMSKVKJM-VXGBXAGGSA-N 1 0 307.394 3.033 20 5 DGBDRO CC[C@H](C(=O)OCc1ccc(C)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000835478589 629941493 /nfs/dbraw/zinc/94/14/93/629941493.db2.gz DQAAZSOAYDCSJV-CQSZACIVSA-N 1 0 308.378 3.067 20 5 DGBDRO COCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102419301 630104267 /nfs/dbraw/zinc/10/42/67/630104267.db2.gz XXMCHGKYKKXPBV-UHFFFAOYSA-N 1 0 306.387 3.449 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000837327133 630240687 /nfs/dbraw/zinc/24/06/87/630240687.db2.gz XAMXPYVCMLWMQN-NSHDSACASA-N 1 0 312.391 3.076 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000102886022 630302622 /nfs/dbraw/zinc/30/26/22/630302622.db2.gz WETJWZLMJPIBPX-OAHLLOKOSA-N 1 0 300.362 3.167 20 5 DGBDRO OC[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1O ZINC000840976495 630390620 /nfs/dbraw/zinc/39/06/20/630390620.db2.gz WWKZMHVBMSZUAQ-UWJYYQICSA-N 1 0 321.420 3.168 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000841085681 630406159 /nfs/dbraw/zinc/40/61/59/630406159.db2.gz APKSGHJLDIIJOQ-WBMJQRKESA-N 1 0 323.824 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841089532 630406973 /nfs/dbraw/zinc/40/69/73/630406973.db2.gz ODTOQVZYQOQWCP-GFCCVEGCSA-N 1 0 309.797 3.013 20 5 DGBDRO C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841761369 630462816 /nfs/dbraw/zinc/46/28/16/630462816.db2.gz PIUITMQVABOLCA-MEDUHNTESA-N 1 0 313.357 3.099 20 5 DGBDRO CC(C)[C@@H]([NH3+])c1noc(-c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000843151815 630621145 /nfs/dbraw/zinc/62/11/45/630621145.db2.gz BNQWZALJZPMXFU-GFCCVEGCSA-N 1 0 302.290 3.047 20 5 DGBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000843360890 630649787 /nfs/dbraw/zinc/64/97/87/630649787.db2.gz LMHTWBLDDKXOKL-AGUYFDCRSA-N 1 0 309.797 3.092 20 5 DGBDRO C[C@@H](Nc1ccc(OCC[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000843367402 630649801 /nfs/dbraw/zinc/64/98/01/630649801.db2.gz OYULZRXTEVASPS-GFCCVEGCSA-N 1 0 301.346 3.105 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843427653 630657466 /nfs/dbraw/zinc/65/74/66/630657466.db2.gz SWSFXVFAVAUVBH-JQWIXIFHSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1ccc(-c2noc([C@@H]3CC[C@@H](C4CC4)[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000844912583 630978663 /nfs/dbraw/zinc/97/86/63/630978663.db2.gz OGPVNJTXZHTCGA-STQMWFEESA-N 1 0 314.345 3.156 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccccc2Cl)cc1 ZINC000105908908 631174897 /nfs/dbraw/zinc/17/48/97/631174897.db2.gz AGAZYHGQTUBFAM-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000845475820 631177383 /nfs/dbraw/zinc/17/73/83/631177383.db2.gz JNTRREGSHBQFKO-SNVBAGLBSA-N 1 0 315.776 3.354 20 5 DGBDRO CC(C)c1ccc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000845820365 631197869 /nfs/dbraw/zinc/19/78/69/631197869.db2.gz YGTLSCSCYXTSRW-OCCSQVGLSA-N 1 0 320.389 3.215 20 5 DGBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@](C)(O)c1ccccc1 ZINC000846034508 631207273 /nfs/dbraw/zinc/20/72/73/631207273.db2.gz AALHZZDBYUJSMW-XHDPSFHLSA-N 1 0 306.387 3.042 20 5 DGBDRO COc1ccc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846040173 631207705 /nfs/dbraw/zinc/20/77/05/631207705.db2.gz WKLZUKCXOZCWCL-ZIAGYGMSSA-N 1 0 316.760 3.398 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@](C)(O)c1ccccc1 ZINC000846040473 631207774 /nfs/dbraw/zinc/20/77/74/631207774.db2.gz XJUXLTIELRWNEV-SJKOYZFVSA-N 1 0 318.348 3.120 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC4(CCC4)C3)CC2)cc1 ZINC000846113819 631210373 /nfs/dbraw/zinc/21/03/73/631210373.db2.gz QKIJPVVGOPJFEQ-UHFFFAOYSA-N 1 0 315.417 3.486 20 5 DGBDRO CC(C)[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000848476007 631667469 /nfs/dbraw/zinc/66/74/69/631667469.db2.gz VPJQFMOBAKKTHU-UHFFFAOYSA-N 1 0 300.362 3.289 20 5 DGBDRO C[C@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@H]1C ZINC000848481190 631668777 /nfs/dbraw/zinc/66/87/77/631668777.db2.gz WONFNNKFUZMOCI-BETUJISGSA-N 1 0 300.362 3.004 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848524244 631676620 /nfs/dbraw/zinc/67/66/20/631676620.db2.gz RCFVBJOKEGOQFD-WMZOPIPTSA-N 1 0 312.369 3.214 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848524238 631676688 /nfs/dbraw/zinc/67/66/88/631676688.db2.gz RCFVBJOKEGOQFD-AEFFLSMTSA-N 1 0 312.369 3.214 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1COc2ccccc2C1 ZINC000848526524 631677778 /nfs/dbraw/zinc/67/77/78/631677778.db2.gz AMQLGTAXZWZQKY-GUYCJALGSA-N 1 0 324.380 3.423 20 5 DGBDRO C[C@](O)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000848530105 631679743 /nfs/dbraw/zinc/67/97/43/631679743.db2.gz BVYATALIENKNTA-AEFFLSMTSA-N 1 0 312.369 3.079 20 5 DGBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848533971 631682136 /nfs/dbraw/zinc/68/21/36/631682136.db2.gz WSWWQJVPNNUZCJ-DJSGYFEHSA-N 1 0 316.357 3.277 20 5 DGBDRO COC[C@@H](CC(C)(C)C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848564185 631694776 /nfs/dbraw/zinc/69/47/76/631694776.db2.gz JAWUTUVBQPVFLW-DGCLKSJQSA-N 1 0 309.410 3.279 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000849065378 631825098 /nfs/dbraw/zinc/82/50/98/631825098.db2.gz ZHYYJWFFILXMLW-UHFFFAOYSA-N 1 0 314.345 3.048 20 5 DGBDRO C[C@@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000849731320 631952912 /nfs/dbraw/zinc/95/29/12/631952912.db2.gz AXNPSFSNKNSZHV-TUAOUCFPSA-N 1 0 324.352 3.038 20 5 DGBDRO Cc1ccncc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000850356368 632123550 /nfs/dbraw/zinc/12/35/50/632123550.db2.gz UWXUBLKONHJLMY-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)cc1 ZINC000850386722 632134949 /nfs/dbraw/zinc/13/49/49/632134949.db2.gz RRJMUJTUBYLSJP-MAUKXSAKSA-N 1 0 311.385 3.491 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cnc(C)s1 ZINC000850447942 632155882 /nfs/dbraw/zinc/15/58/82/632155882.db2.gz OVPIKRQJLHZIBQ-JTQLQIEISA-N 1 0 321.402 3.262 20 5 DGBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850527465 632181633 /nfs/dbraw/zinc/18/16/33/632181633.db2.gz XPSCITKBVZLSFJ-UDTVLSCZSA-N 1 0 313.357 3.006 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1SCCS1)C1CC1 ZINC000850559781 632193798 /nfs/dbraw/zinc/19/37/98/632193798.db2.gz GKWIIIIKSKCWDM-CYBMUJFWSA-N 1 0 324.471 3.312 20 5 DGBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC000850563096 632195420 /nfs/dbraw/zinc/19/54/20/632195420.db2.gz RUSYWOOSZYXPQF-MEDUHNTESA-N 1 0 307.394 3.033 20 5 DGBDRO CC[N@H+](Cc1ccc(C(=O)OCC(C)(C)[N+](=O)[O-])cc1)C(C)C ZINC000851128682 632318249 /nfs/dbraw/zinc/31/82/49/632318249.db2.gz BZRHWRIINIXCNE-UHFFFAOYSA-N 1 0 322.405 3.129 20 5 DGBDRO CC(C)[N@H+](CC[C@@H]1COC(C)(C)O1)Cc1ccc([N+](=O)[O-])cc1 ZINC000851734979 632479427 /nfs/dbraw/zinc/47/94/27/632479427.db2.gz BXDAQKDZRVBKPG-MRXNPFEDSA-N 1 0 322.405 3.347 20 5 DGBDRO CC[C@H](C)[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852290211 632581341 /nfs/dbraw/zinc/58/13/41/632581341.db2.gz HJANHYLZCFRPAG-NSHDSACASA-N 1 0 311.357 3.183 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(C3CCC3)CC2)c1 ZINC000852408046 632600354 /nfs/dbraw/zinc/60/03/54/632600354.db2.gz NWZCLJCACJRUON-KRWDZBQOSA-N 1 0 304.390 3.140 20 5 DGBDRO O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1ccc2c[nH+]cn2c1 ZINC000793128847 661006709 /nfs/dbraw/zinc/00/67/09/661006709.db2.gz XGCZDTRJRIOUPF-UHFFFAOYSA-N 1 0 317.688 3.115 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000793610314 661050019 /nfs/dbraw/zinc/05/00/19/661050019.db2.gz SXONUOHTZQAZDL-HUUCEWRRSA-N 1 0 310.781 3.392 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1Cl ZINC000793619048 661050629 /nfs/dbraw/zinc/05/06/29/661050629.db2.gz CGIGIYLMKRAHTK-OAHLLOKOSA-N 1 0 310.781 3.251 20 5 DGBDRO Cc1nn(C[NH+]2CCC(C3CC3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000793631543 661051096 /nfs/dbraw/zinc/05/10/96/661051096.db2.gz NSADVTBHSXVPLF-UHFFFAOYSA-N 1 0 314.389 3.332 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000794614001 661094145 /nfs/dbraw/zinc/09/41/45/661094145.db2.gz QHRDJRAUISMSSR-QZTJIDSGSA-N 1 0 314.385 3.443 20 5 DGBDRO CC[N@H+](CC1CCC1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000794683136 661098425 /nfs/dbraw/zinc/09/84/25/661098425.db2.gz LNPZZQRNWYGCQV-UHFFFAOYSA-N 1 0 302.378 3.332 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCCn1ccnc1 ZINC000050444016 655658883 /nfs/dbraw/zinc/65/88/83/655658883.db2.gz BAVUASSPTZDHRP-UHFFFAOYSA-N 1 0 308.769 3.015 20 5 DGBDRO [NH3+]C1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000051693798 655778303 /nfs/dbraw/zinc/77/83/03/655778303.db2.gz MOUWKSLRLAGRPF-UHFFFAOYSA-N 1 0 314.183 3.039 20 5 DGBDRO CCCCC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427268 655965608 /nfs/dbraw/zinc/96/56/08/655965608.db2.gz QYDWTIMOIBTFKP-ZIAGYGMSSA-N 1 0 321.421 3.330 20 5 DGBDRO C[C@H](CC[NH+](C)C)Nc1cccc(Br)c1[N+](=O)[O-] ZINC000311214954 655984273 /nfs/dbraw/zinc/98/42/73/655984273.db2.gz MFIPHRYFHSHIMO-SECBINFHSA-N 1 0 316.199 3.109 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000262039971 657297365 /nfs/dbraw/zinc/29/73/65/657297365.db2.gz BROXDEXLVOZNEI-HNNXBMFYSA-N 1 0 323.824 3.212 20 5 DGBDRO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)C ZINC000042369000 658770166 /nfs/dbraw/zinc/77/01/66/658770166.db2.gz VJHUYFHWLJVIMQ-UHFFFAOYSA-N 1 0 300.786 3.353 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000055386068 658927834 /nfs/dbraw/zinc/92/78/34/658927834.db2.gz SOOYZYZRSVPLGI-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351047 659321250 /nfs/dbraw/zinc/32/12/50/659321250.db2.gz JKJCKNBTNJGLFR-KRWDZBQOSA-N 1 0 300.358 3.150 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(CCCC2)C1 ZINC000173825190 659401701 /nfs/dbraw/zinc/40/17/01/659401701.db2.gz AEGPQWWJZMHCSP-CYBMUJFWSA-N 1 0 317.389 3.188 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CNCCC[NH+]2CCCCC2)c1 ZINC000035368191 659711667 /nfs/dbraw/zinc/71/16/67/659711667.db2.gz SFOBNPGECIXNIY-UHFFFAOYSA-N 1 0 311.813 3.214 20 5 DGBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000067949786 659932285 /nfs/dbraw/zinc/93/22/85/659932285.db2.gz PKUFRXQTGOJRMC-LBPRGKRZSA-N 1 0 324.381 3.425 20 5 DGBDRO CC(C)([NH2+]CCOC1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000930554064 661409717 /nfs/dbraw/zinc/40/97/17/661409717.db2.gz GLUZRKJXFAOTJE-UHFFFAOYSA-N 1 0 324.446 3.332 20 5 DGBDRO Cc1cn(C)nc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930637280 661417520 /nfs/dbraw/zinc/41/75/20/661417520.db2.gz KUZDAXVNGODEHL-OAHLLOKOSA-N 1 0 314.389 3.016 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932144580 661542124 /nfs/dbraw/zinc/54/21/24/661542124.db2.gz JGRJEONFMGVOCZ-CYBMUJFWSA-N 1 0 314.389 3.269 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)[C@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932178510 661544904 /nfs/dbraw/zinc/54/49/04/661544904.db2.gz OAWKYYWSMQHBAJ-LBTNJELSSA-N 1 0 314.385 3.410 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000932181564 661545349 /nfs/dbraw/zinc/54/53/49/661545349.db2.gz VQXNOFCJYYJBHJ-QLJPJBMISA-N 1 0 322.311 3.257 20 5 DGBDRO CSCC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000932591863 661584002 /nfs/dbraw/zinc/58/40/02/661584002.db2.gz JITIVCJEJCNJQV-UHFFFAOYSA-N 1 0 310.419 3.049 20 5 DGBDRO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932905497 661607883 /nfs/dbraw/zinc/60/78/83/661607883.db2.gz XGQKCFZDILWUBS-OAHLLOKOSA-N 1 0 314.389 3.059 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC23CCCCC3)c(F)c1 ZINC000933875895 661664430 /nfs/dbraw/zinc/66/44/30/661664430.db2.gz XWGIAMJBAZUDDK-OAHLLOKOSA-N 1 0 308.353 3.315 20 5 DGBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000934225482 661689732 /nfs/dbraw/zinc/68/97/32/661689732.db2.gz CUHQLGABNJTDAV-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934381112 661703236 /nfs/dbraw/zinc/70/32/36/661703236.db2.gz MMMFVLIEQNFRSZ-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H]2CCOC23CCCC3)cc1 ZINC000934382628 661703264 /nfs/dbraw/zinc/70/32/64/661703264.db2.gz YNRFHPZDQFJCSH-MRXNPFEDSA-N 1 0 320.389 3.055 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934687524 661725711 /nfs/dbraw/zinc/72/57/11/661725711.db2.gz LRMJBGNYTQJGFA-KRWDZBQOSA-N 1 0 313.357 3.110 20 5 DGBDRO C[C@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000084439913 662200853 /nfs/dbraw/zinc/20/08/53/662200853.db2.gz AVYRNXPKZJFIRL-GFCCVEGCSA-N 1 0 311.813 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000037860259 662259658 /nfs/dbraw/zinc/25/96/58/662259658.db2.gz UAHFFCIQQDZYAS-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932148307 685324860 /nfs/dbraw/zinc/32/48/60/685324860.db2.gz FNEYZQHQPNWPFX-CYBMUJFWSA-N 1 0 314.389 3.269 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1OC ZINC001617727075 1191878302 /nfs/dbraw/zinc/87/83/02/1191878302.db2.gz GFSSYHVUBFNRRV-HUUCEWRRSA-N 1 0 310.369 3.417 20 5 DGBDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1OC ZINC001617727074 1191878727 /nfs/dbraw/zinc/87/87/27/1191878727.db2.gz GFSSYHVUBFNRRV-GJZGRUSLSA-N 1 0 310.369 3.417 20 5 DGBDRO C[NH2+]Cc1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC001578738501 1191954041 /nfs/dbraw/zinc/95/40/41/1191954041.db2.gz OQLCEPCWBKJJNK-UHFFFAOYSA-N 1 0 313.357 3.183 20 5 DGBDRO Cc1cc(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)cc([N+](=O)[O-])c1 ZINC001579567719 1191979933 /nfs/dbraw/zinc/97/99/33/1191979933.db2.gz YEKXBESQBLIZJI-UHFFFAOYSA-N 1 0 313.357 3.349 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C[NH2+]C3)c1C ZINC001579734230 1191989391 /nfs/dbraw/zinc/98/93/91/1191989391.db2.gz AFHDRTIQLMYFMO-UHFFFAOYSA-N 1 0 311.341 3.067 20 5 DGBDRO [NH3+][C@H](C[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1)C1CCCC1 ZINC001580126097 1192008836 /nfs/dbraw/zinc/00/88/36/1192008836.db2.gz DXLUEUYMVOEKLX-DZGCQCFKSA-N 1 0 318.421 3.114 20 5 DGBDRO O=[N+]([O-])c1c(NCC[C@H]2CCC[NH2+]CC2)ccc2cnccc21 ZINC001580874786 1192043452 /nfs/dbraw/zinc/04/34/52/1192043452.db2.gz IGHAUUAEFSLEGV-ZDUSSCGKSA-N 1 0 314.389 3.335 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001580875381 1192043503 /nfs/dbraw/zinc/04/35/03/1192043503.db2.gz JIAFGLHLWHUUQO-BXUZGUMPSA-N 1 0 324.812 3.002 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@@]23CCCOC3)c1 ZINC001620684400 1192066327 /nfs/dbraw/zinc/06/63/27/1192066327.db2.gz IXWRLQRAZVPUCJ-KRWDZBQOSA-N 1 0 320.389 3.009 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1CCOCC1 ZINC001331907609 1178303574 /nfs/dbraw/zinc/30/35/74/1178303574.db2.gz KWNDCUBBMGKGNB-LBPRGKRZSA-N 1 0 310.369 3.071 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001331973326 1178324379 /nfs/dbraw/zinc/32/43/79/1178324379.db2.gz OUSYFVKKWLMWPK-WRSRJMLGSA-N 1 0 314.307 3.298 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](F)C3)CC2)cc1 ZINC001345944109 1179628066 /nfs/dbraw/zinc/62/80/66/1179628066.db2.gz LAYSRFYLUFKRNJ-DZGCQCFKSA-N 1 0 321.396 3.434 20 5 DGBDRO CO[C@@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001347105653 1179778265 /nfs/dbraw/zinc/77/82/65/1179778265.db2.gz YLLQZZMFYVGJDB-KRWDZBQOSA-N 1 0 304.390 3.158 20 5 DGBDRO CN(CCC[NH+]1CCCC1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC001350480464 1180077642 /nfs/dbraw/zinc/07/76/42/1180077642.db2.gz SHFCDHJJISQFFQ-UHFFFAOYSA-N 1 0 313.348 3.455 20 5 DGBDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC001351282919 1180194434 /nfs/dbraw/zinc/19/44/34/1180194434.db2.gz HBTBWDLZLWLNGP-LLVKDONJSA-N 1 0 305.403 3.354 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001353255175 1180511577 /nfs/dbraw/zinc/51/15/77/1180511577.db2.gz RYVLBSUUIGGPHG-BDJLRTHQSA-N 1 0 304.321 3.118 20 5 DGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1F ZINC001200801811 1180921190 /nfs/dbraw/zinc/92/11/90/1180921190.db2.gz BZDFFGXTLVCJNF-DLBZAZTESA-N 1 0 318.348 3.336 20 5 DGBDRO Cc1ccc([C@H](C)NC(=O)[C@@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC001357322834 1181387177 /nfs/dbraw/zinc/38/71/77/1181387177.db2.gz VHYACLPTSIIQPY-SUMWQHHRSA-N 1 0 321.421 3.092 20 5 DGBDRO C[NH+](C)C(C)(C)CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001458055020 1182492453 /nfs/dbraw/zinc/49/24/53/1182492453.db2.gz TYJZSWOPGIFTPU-UHFFFAOYSA-N 1 0 305.300 3.366 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCCCCC2)cn1 ZINC001458544118 1182538048 /nfs/dbraw/zinc/53/80/48/1182538048.db2.gz HFUCDIYCDZCGNT-OAHLLOKOSA-N 1 0 304.394 3.199 20 5 DGBDRO Nc1cc(CCCCNc2ncc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC001458665531 1182548047 /nfs/dbraw/zinc/54/80/47/1182548047.db2.gz HAJJSDMJCVZZOA-UHFFFAOYSA-N 1 0 321.768 3.055 20 5 DGBDRO C[NH+]1C[C@@]2(C)CN(Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001460557012 1182695979 /nfs/dbraw/zinc/69/59/79/1182695979.db2.gz BCJDWZRFUPMHGT-HOTGVXAUSA-N 1 0 323.824 3.022 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H]2CCC[C@]23CCCO3)cc1 ZINC001460686593 1182708201 /nfs/dbraw/zinc/70/82/01/1182708201.db2.gz AGLFIALIEHSKFS-SJORKVTESA-N 1 0 320.389 3.055 20 5 DGBDRO Cc1c(CNc2cnn(-c3cc[nH+]cc3)c2)cccc1[N+](=O)[O-] ZINC001461139517 1182772950 /nfs/dbraw/zinc/77/29/50/1182772950.db2.gz IBHGGWZKYOMDQP-UHFFFAOYSA-N 1 0 309.329 3.096 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC001461257778 1182786600 /nfs/dbraw/zinc/78/66/00/1182786600.db2.gz QRHCDZBVJATTJK-NVXWUHKLSA-N 1 0 306.406 3.444 20 5 DGBDRO Cc1cccc2c1OC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C2 ZINC001462306626 1182936030 /nfs/dbraw/zinc/93/60/30/1182936030.db2.gz LSSFSTIDKMJQAD-INIZCTEOSA-N 1 0 312.369 3.039 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001465186774 1183134870 /nfs/dbraw/zinc/13/48/70/1183134870.db2.gz SHAMHAZNSRKECS-ZDUSSCGKSA-N 1 0 322.409 3.145 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001472894175 1183697019 /nfs/dbraw/zinc/69/70/19/1183697019.db2.gz AMLOWPWGBOGWFG-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CCCC[C@H]2C)c1 ZINC001473383002 1183750001 /nfs/dbraw/zinc/75/00/01/1183750001.db2.gz BWCFKZKNDKALHP-IUODEOHRSA-N 1 0 320.389 3.392 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOCC23CCCCC3)c1 ZINC001473475564 1183761032 /nfs/dbraw/zinc/76/10/32/1183761032.db2.gz SUBHWKHLWGSNQM-UHFFFAOYSA-N 1 0 320.389 3.009 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001473885510 1183819120 /nfs/dbraw/zinc/81/91/20/1183819120.db2.gz VKPJDEKATJWOCI-CVEARBPZSA-N 1 0 320.389 3.137 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)CCc2cccn2C)cc1[N+](=O)[O-] ZINC001474003625 1183848224 /nfs/dbraw/zinc/84/82/24/1183848224.db2.gz YSEBLVBKZGQPOR-AWEZNQCLSA-N 1 0 301.390 3.353 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccnc(F)c1 ZINC001474225890 1183885645 /nfs/dbraw/zinc/88/56/45/1183885645.db2.gz ZYKBTAZWVLQCGJ-KPKJPENVSA-N 1 0 301.321 3.322 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001474282332 1183894908 /nfs/dbraw/zinc/89/49/08/1183894908.db2.gz AFSUHZPYUOMLCU-OAHLLOKOSA-N 1 0 304.390 3.485 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CCCC1 ZINC001474520212 1183934903 /nfs/dbraw/zinc/93/49/03/1183934903.db2.gz GOLDFJMCHCZEQO-CYBMUJFWSA-N 1 0 308.378 3.367 20 5 DGBDRO CC1(C)CC[C@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)OC1 ZINC001474728801 1183969317 /nfs/dbraw/zinc/96/93/17/1183969317.db2.gz QUBCWGHMPAJQKK-CQSZACIVSA-N 1 0 310.369 3.419 20 5 DGBDRO Cc1ccc(NC(=O)NCCC[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC001475938568 1184022532 /nfs/dbraw/zinc/02/25/32/1184022532.db2.gz PWONLXQESPRZGV-UHFFFAOYSA-N 1 0 322.409 3.003 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001517244309 1186807101 /nfs/dbraw/zinc/80/71/01/1186807101.db2.gz SYKUMLFMVQSZOJ-ZDUSSCGKSA-N 1 0 322.409 3.145 20 5 DGBDRO Cc1cnc(NCCC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001612672454 1193459235 /nfs/dbraw/zinc/45/92/35/1193459235.db2.gz RFNMNGHLYQJYPF-UHFFFAOYSA-N 1 0 306.410 3.221 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)c(Cl)c1 ZINC001559285171 1189191882 /nfs/dbraw/zinc/19/18/82/1189191882.db2.gz DTZMNKXQTAJLBN-HNNXBMFYSA-N 1 0 317.776 3.399 20 5 DGBDRO COc1cc(NC[C@@H]2CCCC[N@@H+]2C)c(Cl)cc1[N+](=O)[O-] ZINC001559295685 1189193845 /nfs/dbraw/zinc/19/38/45/1189193845.db2.gz HUJDQNQUNSQCRQ-JTQLQIEISA-N 1 0 313.785 3.153 20 5 DGBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]21 ZINC001559673442 1189229085 /nfs/dbraw/zinc/22/90/85/1189229085.db2.gz KCUFRZSSUMESNA-XOKHGSTOSA-N 1 0 304.390 3.484 20 5 DGBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]21 ZINC001559673441 1189229281 /nfs/dbraw/zinc/22/92/81/1189229281.db2.gz KCUFRZSSUMESNA-KBRIMQKVSA-N 1 0 304.390 3.484 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC[NH+]1CCCCC1 ZINC001559956383 1189262695 /nfs/dbraw/zinc/26/26/95/1189262695.db2.gz UXHTVIZWQNVRNF-HNNXBMFYSA-N 1 0 305.422 3.382 20 5 DGBDRO CC1(C)C[N@H+](Cc2cccnc2[N+](=O)[O-])CCc2ccccc21 ZINC001559989969 1189266491 /nfs/dbraw/zinc/26/64/91/1189266491.db2.gz CURKUKWVPDRACF-UHFFFAOYSA-N 1 0 311.385 3.326 20 5 DGBDRO CC(=O)Oc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001560133538 1189281652 /nfs/dbraw/zinc/28/16/52/1189281652.db2.gz BSOCPUKUUWWTHU-LBPRGKRZSA-N 1 0 314.341 3.371 20 5 DGBDRO Cc1cccc(C)c1C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001560181798 1189287351 /nfs/dbraw/zinc/28/73/51/1189287351.db2.gz VKZJJCPVAJTODH-SFHVURJKSA-N 1 0 314.385 3.377 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@H]3CCCO3)CCC2)c(Cl)c1 ZINC001560227446 1189295178 /nfs/dbraw/zinc/29/51/78/1189295178.db2.gz OJTKJXFXEFXAHJ-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](C)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001560265846 1189302044 /nfs/dbraw/zinc/30/20/44/1189302044.db2.gz HGLDHIOUURDTNX-KBPBESRZSA-N 1 0 305.422 3.113 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cccc(Cl)c2N)cc1[N+](=O)[O-] ZINC001560319280 1189310787 /nfs/dbraw/zinc/31/07/87/1189310787.db2.gz YIMCVDOQVPQYGW-UHFFFAOYSA-N 1 0 321.764 3.129 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOCC3CC3)o2)cc1 ZINC001560326772 1189312079 /nfs/dbraw/zinc/31/20/79/1189312079.db2.gz KWHVSFSXPZVYHE-UHFFFAOYSA-N 1 0 316.357 3.371 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC001560433830 1189328831 /nfs/dbraw/zinc/32/88/31/1189328831.db2.gz AFUYXAFOLIIXRP-NQBHXWOUSA-N 1 0 308.378 3.223 20 5 DGBDRO CCCn1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)n1 ZINC001560438626 1189329348 /nfs/dbraw/zinc/32/93/48/1189329348.db2.gz BLKSYSYAFYGCJC-UHFFFAOYSA-N 1 0 302.378 3.108 20 5 DGBDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C2 ZINC001560493068 1189332827 /nfs/dbraw/zinc/33/28/27/1189332827.db2.gz PUVDMGIXVIEYDD-MRXNPFEDSA-N 1 0 312.369 3.305 20 5 DGBDRO Cc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1C ZINC001620772653 1191486578 /nfs/dbraw/zinc/48/65/78/1191486578.db2.gz PVBHFKTWCHASNP-UHFFFAOYSA-N 1 0 300.358 3.380 20 5 DGBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001575532130 1191489672 /nfs/dbraw/zinc/48/96/72/1191489672.db2.gz ZPWSSXUSZOBREJ-KRWDZBQOSA-N 1 0 321.421 3.212 20 5 DGBDRO CC1(C)[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCC[NH2+][C@H]21 ZINC001576390442 1191580248 /nfs/dbraw/zinc/58/02/48/1191580248.db2.gz OAXKBMNNEVYHMA-NWANDNLSSA-N 1 0 323.824 3.114 20 5 DGBDRO CCC[N@@H+]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC001618150524 1193726043 /nfs/dbraw/zinc/72/60/43/1193726043.db2.gz QBPIOVAUCYQNSD-AWEZNQCLSA-N 1 0 319.405 3.272 20 5 DGBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001618387885 1193736824 /nfs/dbraw/zinc/73/68/24/1193736824.db2.gz OWQOPMKMVSMDJM-SUMWQHHRSA-N 1 0 319.405 3.482 20 5 DGBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001620443339 1193768999 /nfs/dbraw/zinc/76/89/99/1193768999.db2.gz ZSCPYVFSTKUIOB-UONOGXRCSA-N 1 0 319.405 3.495 20 5 DGBDRO CCOc1cc(C[NH2+]C(C)(C)C(O)(CC)CC)ccc1[N+](=O)[O-] ZINC001620522717 1193774640 /nfs/dbraw/zinc/77/46/40/1193774640.db2.gz RNIVZUDSIVQBNH-UHFFFAOYSA-N 1 0 324.421 3.413 20 5 DGBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001620583877 1193781139 /nfs/dbraw/zinc/78/11/39/1193781139.db2.gz ZHFVYQKQZCUEEH-LBPRGKRZSA-N 1 0 309.435 3.105 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC001620655121 1193786996 /nfs/dbraw/zinc/78/69/96/1193786996.db2.gz YQEQLWKGEHVHAF-DLBZAZTESA-N 1 0 318.417 3.276 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1F ZINC001620669669 1193789434 /nfs/dbraw/zinc/78/94/34/1193789434.db2.gz XIFZTEUQZYCXNY-JKSUJKDBSA-N 1 0 308.353 3.267 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1cccc([N+](=O)[O-])c1 ZINC001620728524 1193794981 /nfs/dbraw/zinc/79/49/81/1193794981.db2.gz WHPXRQSOGZVRHQ-SNVBAGLBSA-N 1 0 313.313 3.292 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC2CCCC2)cc1Cl ZINC001621285109 1193826507 /nfs/dbraw/zinc/82/65/07/1193826507.db2.gz OTABBDMCLAUZKK-CYBMUJFWSA-N 1 0 312.797 3.279 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001628957573 1194205554 /nfs/dbraw/zinc/20/55/54/1194205554.db2.gz ZESAQEAPSHNCDV-CYBMUJFWSA-N 1 0 321.421 3.062 20 5 DGBDRO CC(C)(C)[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000048417256 1194465082 /nfs/dbraw/zinc/46/50/82/1194465082.db2.gz PGSJXNRTHBSDPG-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001640164870 1194799721 /nfs/dbraw/zinc/79/97/21/1194799721.db2.gz CZXULVQCDKLGRT-ZDUSSCGKSA-N 1 0 324.812 3.462 20 5 DGBDRO CC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@@H]1C ZINC001640330123 1194806926 /nfs/dbraw/zinc/80/69/26/1194806926.db2.gz NFATYUJRHIFUBA-PHIMTYICSA-N 1 0 313.348 3.451 20 5 DGBDRO C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+]1CCCC[C@H]1C ZINC001642072599 1194886872 /nfs/dbraw/zinc/88/68/72/1194886872.db2.gz JQXOLDCHKUWGIG-NEPJUHHUSA-N 1 0 317.393 3.146 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(CC)CC ZINC001642126747 1194889724 /nfs/dbraw/zinc/88/97/24/1194889724.db2.gz INUUGEASNGZOMQ-CABCVRRESA-N 1 0 321.421 3.405 20 5 DGBDRO Cc1cnc(N[C@@H](CC(C)C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001642736794 1194933815 /nfs/dbraw/zinc/93/38/15/1194933815.db2.gz IZKWIAAYKKTQPQ-AWEZNQCLSA-N 1 0 306.410 3.221 20 5 DGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](CO)CC(C)(C)C ZINC001643106673 1194996000 /nfs/dbraw/zinc/99/60/00/1194996000.db2.gz GYZUNBWREIWKLS-ZDUSSCGKSA-N 1 0 314.813 3.477 20 5 DGBDRO Cc1cccc(NCCNc2ncc([N+](=O)[O-])c3ccccc32)n1 ZINC001643220213 1195005955 /nfs/dbraw/zinc/00/59/55/1195005955.db2.gz QXZWLIBYDTVFPS-UHFFFAOYSA-N 1 0 323.356 3.370 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001643275193 1195010578 /nfs/dbraw/zinc/01/05/78/1195010578.db2.gz WZACCEBOGATNJC-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2([C@H]3CCCCO3)CCC2)cc1 ZINC001644275934 1195094966 /nfs/dbraw/zinc/09/49/66/1195094966.db2.gz WQAAJWWLHDLEIQ-MRXNPFEDSA-N 1 0 320.389 3.055 20 5 DGBDRO CC1(C)CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001645369864 1195179612 /nfs/dbraw/zinc/17/96/12/1195179612.db2.gz VFVPZPZBEQJEPE-HNNXBMFYSA-N 1 0 319.405 3.482 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC001647840957 1195258609 /nfs/dbraw/zinc/25/86/09/1195258609.db2.gz MSLNVTLYOQZFRK-UHFFFAOYSA-N 1 0 313.829 3.458 20 5 DGBDRO C[C@](CO)([NH2+]CC1CCC2(CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001648020202 1195271838 /nfs/dbraw/zinc/27/18/38/1195271838.db2.gz PIUPWKJGFFELMB-QGZVFWFLSA-N 1 0 318.417 3.362 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@]1(CO)c1ccccc1 ZINC001648635584 1195316891 /nfs/dbraw/zinc/31/68/91/1195316891.db2.gz RWBDPPDXMMHMIG-SFHVURJKSA-N 1 0 312.369 3.078 20 5 DGBDRO Cc1cccc(CN(CC[NH+](C)C)c2ccccc2[N+](=O)[O-])c1 ZINC001650842898 1195388185 /nfs/dbraw/zinc/38/81/85/1195388185.db2.gz KELXNNZAHMROIM-UHFFFAOYSA-N 1 0 313.401 3.471 20 5 DGBDRO Cc1cnn(-c2cc[nH+]cc2NCc2cccc([N+](=O)[O-])c2C)c1 ZINC001650888049 1195393053 /nfs/dbraw/zinc/39/30/53/1195393053.db2.gz QEMDSFKPUXZLLG-UHFFFAOYSA-N 1 0 323.356 3.404 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C3(CCCCC3)C2)c1 ZINC001651080019 1195410756 /nfs/dbraw/zinc/41/07/56/1195410756.db2.gz XBRQDRNFMTVLTE-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO CCOc1cc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001651174925 1195423463 /nfs/dbraw/zinc/42/34/63/1195423463.db2.gz WJYJKRATXBFWKO-HUUCEWRRSA-N 1 0 307.394 3.134 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001651234675 1195429783 /nfs/dbraw/zinc/42/97/83/1195429783.db2.gz MAWCWEUZANCZRX-CYBMUJFWSA-N 1 0 318.421 3.153 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001651234018 1195430529 /nfs/dbraw/zinc/43/05/29/1195430529.db2.gz AKNNSMDUJRSJGC-ZDUSSCGKSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1ncccc1NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001651288408 1195438189 /nfs/dbraw/zinc/43/81/89/1195438189.db2.gz KQPYTTYSLGFGFM-UHFFFAOYSA-N 1 0 321.340 3.162 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001651475338 1195467434 /nfs/dbraw/zinc/46/74/34/1195467434.db2.gz ISDQZHVEMJUTGI-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1(C)C ZINC001651972767 1195530396 /nfs/dbraw/zinc/53/03/96/1195530396.db2.gz MDBJFSWHMUQPJD-HUUCEWRRSA-N 1 0 318.421 3.009 20 5 DGBDRO O=[N+]([O-])c1c(N[C@H]2C[NH+]3CCC2CC3)cccc1C(F)(F)F ZINC001652320702 1195581839 /nfs/dbraw/zinc/58/18/39/1195581839.db2.gz WVOHPIMHCIYTNQ-LBPRGKRZSA-N 1 0 315.295 3.120 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001652653795 1195632602 /nfs/dbraw/zinc/63/26/02/1195632602.db2.gz ABFZSNJLIFEDLY-HNNXBMFYSA-N 1 0 305.422 3.126 20 5 DGBDRO CC1(C)CC(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC001653151169 1195693382 /nfs/dbraw/zinc/69/33/82/1195693382.db2.gz MNAFUEWTWMTZKP-UHFFFAOYSA-N 1 0 303.406 3.153 20 5 DGBDRO CC(C)[C@@](C)([NH2+]CC[N+](=O)[O-])c1ccc(Br)cc1 ZINC001653293011 1195708692 /nfs/dbraw/zinc/70/86/92/1195708692.db2.gz NIOHRHZHGPBHGE-CYBMUJFWSA-N 1 0 315.211 3.187 20 5 DGBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC001654616750 1195822497 /nfs/dbraw/zinc/82/24/97/1195822497.db2.gz MMYSFLHDROBALR-SFHVURJKSA-N 1 0 314.385 3.459 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001655049272 1195869715 /nfs/dbraw/zinc/86/97/15/1195869715.db2.gz IPZMHPIWFCNYKN-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO Cc1noc(C[N@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c1[N+](=O)[O-] ZINC001655314282 1195903468 /nfs/dbraw/zinc/90/34/68/1195903468.db2.gz APJPWXOVJAYBNA-KFWWJZLASA-N 1 0 313.357 3.127 20 5 DGBDRO Cc1cccc(OCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001655984768 1195985151 /nfs/dbraw/zinc/98/51/51/1195985151.db2.gz KHAIWUAPSFZDAO-UHFFFAOYSA-N 1 0 300.358 3.462 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnc(C3CC3)s2)cc1 ZINC001656342371 1196031332 /nfs/dbraw/zinc/03/13/32/1196031332.db2.gz HYECCQWVKJRXLM-UHFFFAOYSA-N 1 0 319.386 3.097 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(O)cc(Cl)c2)cc1 ZINC001656389459 1196034720 /nfs/dbraw/zinc/03/47/20/1196034720.db2.gz FLWCLBLKBHHONC-UHFFFAOYSA-N 1 0 306.749 3.286 20 5 DGBDRO Cc1c(CN[C@@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC001656641097 1196057231 /nfs/dbraw/zinc/05/72/31/1196057231.db2.gz BWLHKQBQUSESBD-QGZVFWFLSA-N 1 0 317.433 3.257 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CN1CCC[C@@H](C)C1 ZINC001656947322 1196085645 /nfs/dbraw/zinc/08/56/45/1196085645.db2.gz UCSIVRNSMNXZLU-UKRRQHHQSA-N 1 0 319.449 3.422 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cn2ccccc2n1)c1ccccc1[N+](=O)[O-] ZINC001657051906 1196096462 /nfs/dbraw/zinc/09/64/62/1196096462.db2.gz IKSSPLXJBADFTR-ZDUSSCGKSA-N 1 0 310.357 3.136 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2nonc2c1 ZINC001657098708 1196105377 /nfs/dbraw/zinc/10/53/77/1196105377.db2.gz AGLYGCBFFHHRIZ-GHXNOFRVSA-N 1 0 324.340 3.324 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC001657525654 1196151237 /nfs/dbraw/zinc/15/12/37/1196151237.db2.gz DDEYXRQNEIWMRD-IACUBPJLSA-N 1 0 320.389 3.320 20 5 DGBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001657929770 1196194818 /nfs/dbraw/zinc/19/48/18/1196194818.db2.gz YXJBFERSIPGXJY-LBPRGKRZSA-N 1 0 313.357 3.404 20 5 DGBDRO COc1cc(C[NH2+]C[C@H]2CC3CCC2CC3)c([N+](=O)[O-])cc1O ZINC001658175101 1196221718 /nfs/dbraw/zinc/22/17/18/1196221718.db2.gz QMBGYSOIPZXRRY-WXRRBKDZSA-N 1 0 320.389 3.225 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCCC1 ZINC001658198595 1196224730 /nfs/dbraw/zinc/22/47/30/1196224730.db2.gz MSEVSFIXQWSELJ-GFCCVEGCSA-N 1 0 319.405 3.142 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001658738385 1196293819 /nfs/dbraw/zinc/29/38/19/1196293819.db2.gz WPXHZRRLVVIXLR-UONOGXRCSA-N 1 0 306.431 3.397 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)CC2CCCCC2)cc1 ZINC001659488159 1196387569 /nfs/dbraw/zinc/38/75/69/1196387569.db2.gz JVNTXHSPWAUHMZ-MRXNPFEDSA-N 1 0 306.406 3.058 20 5 DGBDRO COC1(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC001659688591 1196406105 /nfs/dbraw/zinc/40/61/05/1196406105.db2.gz RQYTUYYMNHNFCR-UHFFFAOYSA-N 1 0 321.421 3.099 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCCCCCC2)c(F)c1 ZINC001659853445 1196421838 /nfs/dbraw/zinc/42/18/38/1196421838.db2.gz KRHMAUHHHCBLHO-UHFFFAOYSA-N 1 0 310.369 3.299 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001660796836 1196525407 /nfs/dbraw/zinc/52/54/07/1196525407.db2.gz WISCVESDZPZQFS-SKDZVZGDSA-N 1 0 318.417 3.463 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC001660796835 1196525692 /nfs/dbraw/zinc/52/56/92/1196525692.db2.gz WISCVESDZPZQFS-RPVQJOFSSA-N 1 0 318.417 3.463 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC001661346390 1196596990 /nfs/dbraw/zinc/59/69/90/1196596990.db2.gz ATIOJKJKGZMJQF-CQSZACIVSA-N 1 0 303.406 3.045 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CCCCO1 ZINC001662030747 1196676116 /nfs/dbraw/zinc/67/61/16/1196676116.db2.gz PFFNFBKJHVJWAI-OAHLLOKOSA-N 1 0 308.378 3.042 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCCCCCO)o2)c1 ZINC001662043804 1196676952 /nfs/dbraw/zinc/67/69/52/1196676952.db2.gz GPBMFZUCYAGMJP-UHFFFAOYSA-N 1 0 318.373 3.497 20 5 DGBDRO Cc1c(CNCC2(C[NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC001662173493 1196690161 /nfs/dbraw/zinc/69/01/61/1196690161.db2.gz KULINMHHXNAMQP-UHFFFAOYSA-N 1 0 305.422 3.115 20 5 DGBDRO CCN(CCC[NH+](CC)CC)Cc1cccc([N+](=O)[O-])c1C ZINC001664601222 1197019855 /nfs/dbraw/zinc/01/98/55/1197019855.db2.gz ZKKHYGWRQNGVOS-UHFFFAOYSA-N 1 0 307.438 3.457 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCc2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000089556177 1197987249 /nfs/dbraw/zinc/98/72/49/1197987249.db2.gz YTOSWKJYPXHDGJ-LBPRGKRZSA-N 1 0 318.377 3.303 20 5 DGBDRO O=[N+]([O-])c1cc(CNCc2ccc(Br)o2)cs1 ZINC000178902550 1204299665 /nfs/dbraw/zinc/29/96/65/1204299665.db2.gz XPVKWSILUUNUMJ-UHFFFAOYSA-N 1 0 317.164 3.302 20 5 DGBDRO CCOC(=O)C1(CNc2ccccc2C[N+](C)(C)CC)CCC1 ZINC001169561378 1081592033 /nfs/dbraw/zinc/59/20/33/1081592033.db2.gz OWGZLYBGJJYTBU-UHFFFAOYSA-N 1 0 319.469 3.428 20 5 DGBDRO Cc1cc(Cl)c(NCC23CC[NH+](CC2)CC3)c([N+](=O)[O-])c1 ZINC001169800205 1081653269 /nfs/dbraw/zinc/65/32/69/1081653269.db2.gz PFJIHNZBCOYISE-UHFFFAOYSA-N 1 0 309.797 3.454 20 5 DGBDRO C[NH2+]Cc1cn(-c2ncc([N+](=O)[O-])cc2F)c2ccc(C)cc12 ZINC001167123699 1081727421 /nfs/dbraw/zinc/72/74/21/1081727421.db2.gz PBTYDEYFIVFGBK-UHFFFAOYSA-N 1 0 314.320 3.101 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170296242 1082337446 /nfs/dbraw/zinc/33/74/46/1082337446.db2.gz FVQYFYBXJFYQDX-HIFRSBDPSA-N 1 0 322.405 3.083 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170294613 1082337572 /nfs/dbraw/zinc/33/75/72/1082337572.db2.gz BZYQVQJSFITYEN-AWEZNQCLSA-N 1 0 314.385 3.367 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170298908 1082338419 /nfs/dbraw/zinc/33/84/19/1082338419.db2.gz OGDQITJHGFGVOI-JQWIXIFHSA-N 1 0 314.332 3.312 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170298909 1082338469 /nfs/dbraw/zinc/33/84/69/1082338469.db2.gz OGDQITJHGFGVOI-PWSUYJOCSA-N 1 0 314.332 3.312 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3occc3C2)c([N+](=O)[O-])c1 ZINC001170351807 1082358320 /nfs/dbraw/zinc/35/83/20/1082358320.db2.gz JNILGOCRPOIPIZ-LBPRGKRZSA-N 1 0 316.357 3.186 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C[C@H]2F)c(Cl)c1Cl ZINC001217951723 1082965807 /nfs/dbraw/zinc/96/58/07/1082965807.db2.gz UUODSSHKHYJYQO-VXNVDRBHSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC3(C[NH2+]C3)C2)c(Cl)cc1Cl ZINC001218238507 1083088171 /nfs/dbraw/zinc/08/81/71/1083088171.db2.gz VEPFSLDOUCBJBA-QMMMGPOBSA-N 1 0 317.172 3.423 20 5 DGBDRO Cc1cc(Cl)c(-n2nc(C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001167701024 1083114428 /nfs/dbraw/zinc/11/44/28/1083114428.db2.gz ZFCINJBVXRHVQJ-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO CCCC[NH+](CCCC)CCNc1cnc([N+](=O)[O-])c(OC)c1 ZINC001167733177 1083310990 /nfs/dbraw/zinc/31/09/90/1083310990.db2.gz OVHDLBMOMPARNL-UHFFFAOYSA-N 1 0 324.425 3.313 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(O)c(F)c1F ZINC001181154608 1083421608 /nfs/dbraw/zinc/42/16/08/1083421608.db2.gz QUWZDNAIJPKUTD-UHFFFAOYSA-N 1 0 322.311 3.253 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1c(Cl)nccc1[N+](=O)[O-] ZINC001167751149 1083622401 /nfs/dbraw/zinc/62/24/01/1083622401.db2.gz IHHSPBOWDPSDSM-NSHDSACASA-N 1 0 312.801 3.320 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1SCCS1 ZINC000692818324 1083742757 /nfs/dbraw/zinc/74/27/57/1083742757.db2.gz OQXSNKHYMWPQGD-UHFFFAOYSA-N 1 0 304.824 3.144 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC001184046098 1084095750 /nfs/dbraw/zinc/09/57/50/1084095750.db2.gz UDMLVPUYNHRXCD-VBNZEHGJSA-N 1 0 304.390 3.246 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001184711676 1084244769 /nfs/dbraw/zinc/24/47/69/1084244769.db2.gz YKSPCUPRNUUGCW-OKILXGFUSA-N 1 0 321.421 3.203 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001184711678 1084245804 /nfs/dbraw/zinc/24/58/04/1084245804.db2.gz YKSPCUPRNUUGCW-ZIAGYGMSSA-N 1 0 321.421 3.203 20 5 DGBDRO CC[NH+](CC)CCCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001186112477 1084593073 /nfs/dbraw/zinc/59/30/73/1084593073.db2.gz MPNDXOITCPCYBF-UHFFFAOYSA-N 1 0 315.801 3.401 20 5 DGBDRO CCCN(CC[NH+]1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC001186422093 1084648067 /nfs/dbraw/zinc/64/80/67/1084648067.db2.gz GBBDBPWFUBCBPK-UHFFFAOYSA-N 1 0 309.385 3.436 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC3(C2)C[NH+](Cc2ccccc2)C3)c1 ZINC001187297595 1084786882 /nfs/dbraw/zinc/78/68/82/1084786882.db2.gz QFMPQEQZPHJMND-UHFFFAOYSA-N 1 0 323.396 3.225 20 5 DGBDRO C[C@H](CC[NH+](C)C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001648986264 1087069435 /nfs/dbraw/zinc/06/94/35/1087069435.db2.gz QRKLRAIXRVCEKY-CYBMUJFWSA-N 1 0 317.389 3.285 20 5 DGBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C(C)(C)C1 ZINC001158562749 1087913735 /nfs/dbraw/zinc/91/37/35/1087913735.db2.gz IXUPSFKMMRUFBO-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001158760242 1088014319 /nfs/dbraw/zinc/01/43/19/1088014319.db2.gz MNJHOTAMZIPFCL-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2cnc3c(c2)C[NH2+]CC3)c(Cl)c1 ZINC001159141139 1088202135 /nfs/dbraw/zinc/20/21/35/1088202135.db2.gz VRVCOPGIFZKVMO-UHFFFAOYSA-N 1 0 304.737 3.033 20 5 DGBDRO Cc1ccc(Nc2ccc(N3CC[NH2+]CC3)cc2)c([N+](=O)[O-])c1 ZINC001159454518 1088352817 /nfs/dbraw/zinc/35/28/17/1088352817.db2.gz BVACFUYDPUTDCR-UHFFFAOYSA-N 1 0 312.373 3.056 20 5 DGBDRO [NH3+][C@H]1CCCN(c2ccccc2Nc2ccccc2[N+](=O)[O-])C1 ZINC001159978628 1088584023 /nfs/dbraw/zinc/58/40/23/1088584023.db2.gz VZFWKBSWMMNPEL-ZDUSSCGKSA-N 1 0 312.373 3.266 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)cc1 ZINC001160134104 1088660872 /nfs/dbraw/zinc/66/08/72/1088660872.db2.gz DTILSBKNTUJFTP-CQSZACIVSA-N 1 0 317.320 3.218 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccccc1O[C@@H]1CC[NH2+]C1 ZINC001160167618 1088684265 /nfs/dbraw/zinc/68/42/65/1088684265.db2.gz UQQHYVAMOVRKRR-GFCCVEGCSA-N 1 0 317.320 3.218 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001155298336 1089054059 /nfs/dbraw/zinc/05/40/59/1089054059.db2.gz RAQHHTRMLYYDNW-ZDUSSCGKSA-N 1 0 320.352 3.165 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(Nc2cccc(CC[NH3+])c2)n1 ZINC001161078794 1089107535 /nfs/dbraw/zinc/10/75/35/1089107535.db2.gz JLTOPVMDLAIHGD-UHFFFAOYSA-N 1 0 306.753 3.196 20 5 DGBDRO Cc1ccc2c(ccnc2NCCCC[NH+](C)C)c1[N+](=O)[O-] ZINC001161725484 1089371534 /nfs/dbraw/zinc/37/15/34/1089371534.db2.gz ZXFRMLLZZVWVMS-UHFFFAOYSA-N 1 0 302.378 3.205 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001156377528 1089494260 /nfs/dbraw/zinc/49/42/60/1089494260.db2.gz AFIIJEGFLCPQSQ-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H](C)c1nnc2ccccn21 ZINC001162181885 1089596868 /nfs/dbraw/zinc/59/68/68/1089596868.db2.gz BCUCPSDFUCDVBD-HNNXBMFYSA-N 1 0 324.452 3.499 20 5 DGBDRO CCCC[NH+](CCCC)CCNc1ncc([N+](=O)[O-])cc1F ZINC001156904578 1089737094 /nfs/dbraw/zinc/73/70/94/1089737094.db2.gz CBJFGKNKUXRASH-UHFFFAOYSA-N 1 0 312.389 3.443 20 5 DGBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001162489579 1089757747 /nfs/dbraw/zinc/75/77/47/1089757747.db2.gz KPHUZVOSJJCFPW-CYBMUJFWSA-N 1 0 322.409 3.063 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(NCC[NH+]3CCSCC3)nc12 ZINC001157043809 1089800148 /nfs/dbraw/zinc/80/01/48/1089800148.db2.gz IPDMQNXZUDXQFI-UHFFFAOYSA-N 1 0 324.453 3.244 20 5 DGBDRO Cc1cc(Cl)c(NC[C@]2(F)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001162585882 1089810762 /nfs/dbraw/zinc/81/07/62/1089810762.db2.gz NCMQUTUYPYLCPQ-AWEZNQCLSA-N 1 0 315.776 3.450 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001162847451 1089990379 /nfs/dbraw/zinc/99/03/79/1089990379.db2.gz QKKCLTPSLRJVSL-NSHDSACASA-N 1 0 303.749 3.270 20 5 DGBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc3c(n2)[nH]cc3[N+](=O)[O-])c1 ZINC001162900502 1090014011 /nfs/dbraw/zinc/01/40/11/1090014011.db2.gz XIEQGQKXKARELI-SNVBAGLBSA-N 1 0 321.340 3.435 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001163038519 1090058437 /nfs/dbraw/zinc/05/84/37/1090058437.db2.gz HQVARZNUVCCSTL-UHFFFAOYSA-N 1 0 317.393 3.248 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001163038505 1090059304 /nfs/dbraw/zinc/05/93/04/1090059304.db2.gz HHCHQDRKHIRMSB-UHFFFAOYSA-N 1 0 317.393 3.248 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1ccc([N+](=O)[O-])c(OCC)n1 ZINC001163040148 1090060588 /nfs/dbraw/zinc/06/05/88/1090060588.db2.gz GTLIKLONPJTIER-UHFFFAOYSA-N 1 0 310.398 3.098 20 5 DGBDRO CCN(CCC[NH+](C)C)c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001163069359 1090069069 /nfs/dbraw/zinc/06/90/69/1090069069.db2.gz LDRHOYXXAVCCDP-UHFFFAOYSA-N 1 0 320.368 3.060 20 5 DGBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001157739684 1090092011 /nfs/dbraw/zinc/09/20/11/1090092011.db2.gz DQQZEGLNLWRMHW-SKDRFNHKSA-N 1 0 320.780 3.112 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(N[C@H]2C[NH2+]Cc3ccsc32)c1F ZINC001163229476 1090126990 /nfs/dbraw/zinc/12/69/90/1090126990.db2.gz JNYGQMOCGSVFSW-LBPRGKRZSA-N 1 0 307.350 3.360 20 5 DGBDRO [NH3+]C[C@@H](Nc1ncc([N+](=O)[O-])c2ccccc21)c1ccccc1 ZINC001163293972 1090141403 /nfs/dbraw/zinc/14/14/03/1090141403.db2.gz FMGNCJRNOLYUPP-OAHLLOKOSA-N 1 0 308.341 3.255 20 5 DGBDRO C[C@H]1CCN1C(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001157922516 1090151793 /nfs/dbraw/zinc/15/17/93/1090151793.db2.gz PZAODLYEMFUEIV-XOBRGWDASA-N 1 0 318.420 3.484 20 5 DGBDRO CC(C)C[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001163657202 1090224950 /nfs/dbraw/zinc/22/49/50/1090224950.db2.gz UOEVOLNLKZPDRC-UHFFFAOYSA-N 1 0 324.425 3.167 20 5 DGBDRO Cc1c(C)n(-c2nc(C)ccc2[N+](=O)[O-])c2ccc(C[NH3+])cc12 ZINC001163761237 1090251961 /nfs/dbraw/zinc/25/19/61/1090251961.db2.gz KFIHEZRONHMXHH-UHFFFAOYSA-N 1 0 310.357 3.318 20 5 DGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ncccc1[N+](=O)[O-] ZINC001163898770 1090282693 /nfs/dbraw/zinc/28/26/93/1090282693.db2.gz XNZAQWJVLULHKS-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO CC(C)CN(CC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001163973939 1090305073 /nfs/dbraw/zinc/30/50/73/1090305073.db2.gz CYXNSHVTJBPTBF-UHFFFAOYSA-N 1 0 305.422 3.399 20 5 DGBDRO Cc1cc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164177214 1090364577 /nfs/dbraw/zinc/36/45/77/1090364577.db2.gz PDTVQYMMFQYAGG-AWEZNQCLSA-N 1 0 312.373 3.013 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001165278704 1090494982 /nfs/dbraw/zinc/49/49/82/1090494982.db2.gz KRFNUEBWNSULDC-LBPRGKRZSA-N 1 0 302.378 3.220 20 5 DGBDRO [NH3+]CC[C@H]1CN(c2nc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC001168548571 1090533014 /nfs/dbraw/zinc/53/30/14/1090533014.db2.gz IBHFTJXXGJYGDH-JTQLQIEISA-N 1 0 318.764 3.227 20 5 DGBDRO O=[N+]([O-])c1cccc(-n2c3ccccc3cc2[C@@H]2CCC[NH2+]2)n1 ZINC001166650166 1090635158 /nfs/dbraw/zinc/63/51/58/1090635158.db2.gz BFXFZUZQMJINNZ-ZDUSSCGKSA-N 1 0 308.341 3.358 20 5 DGBDRO [NH3+][C@@H]1CN(Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1O ZINC001205346692 1091194813 /nfs/dbraw/zinc/19/48/13/1091194813.db2.gz DBCACGVNHSNHJD-RTBURBONSA-N 1 0 316.404 3.088 20 5 DGBDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001205841402 1091375104 /nfs/dbraw/zinc/37/51/04/1091375104.db2.gz JRLCEZJUONOGIX-KBXCAEBGSA-N 1 0 320.440 3.342 20 5 DGBDRO C[NH2+]C(C)(C)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001206010281 1091448241 /nfs/dbraw/zinc/44/82/41/1091448241.db2.gz HZXOTJRWKCIRBP-UHFFFAOYSA-N 1 0 319.368 3.288 20 5 DGBDRO Nc1cc(Nc2cc3nc4ccccc4nc3cc2N)cc[nH+]1 ZINC001206556981 1091669009 /nfs/dbraw/zinc/66/90/09/1091669009.db2.gz FBFQGHZZMCJTID-UHFFFAOYSA-N 1 0 302.341 3.086 20 5 DGBDRO Cc1ccc(N2CC[N@H+](C3CCCC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001307210490 1091737527 /nfs/dbraw/zinc/73/75/27/1091737527.db2.gz NKGIDQRDQGUFEZ-CQSZACIVSA-N 1 0 303.406 3.356 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCCO1 ZINC001207700018 1092073582 /nfs/dbraw/zinc/07/35/82/1092073582.db2.gz KUJMEYAXTHRCKB-RHSMWYFYSA-N 1 0 306.406 3.465 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)C1 ZINC001168976576 1092456775 /nfs/dbraw/zinc/45/67/75/1092456775.db2.gz DQWGRONHXUVQCL-OWSLCNJRSA-N 1 0 318.417 3.159 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)C1 ZINC001168976578 1092457118 /nfs/dbraw/zinc/45/71/18/1092457118.db2.gz DQWGRONHXUVQCL-XSLAGTTESA-N 1 0 318.417 3.159 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC001168985197 1092462686 /nfs/dbraw/zinc/46/26/86/1092462686.db2.gz RNRMXULVZQMUAF-OCCSQVGLSA-N 1 0 317.414 3.345 20 5 DGBDRO [NH3+]CCN(c1cccc2ccccc21)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959397 1092462774 /nfs/dbraw/zinc/46/27/74/1092462774.db2.gz VQDWZRIEMXYMJN-GOEBONIOSA-N 1 0 313.401 3.050 20 5 DGBDRO [NH3+]CCN(c1cccc2ccccc21)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959396 1092462885 /nfs/dbraw/zinc/46/28/85/1092462885.db2.gz VQDWZRIEMXYMJN-GDBMZVCRSA-N 1 0 313.401 3.050 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001168967117 1092468343 /nfs/dbraw/zinc/46/83/43/1092468343.db2.gz NIHNDMMJUXIAAE-QWRGUYRKSA-N 1 0 320.286 3.380 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C1 ZINC001168966787 1092468370 /nfs/dbraw/zinc/46/83/70/1092468370.db2.gz KZSFMMVNKSPMAU-TZMCWYRMSA-N 1 0 317.414 3.345 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C1 ZINC001168966786 1092468800 /nfs/dbraw/zinc/46/88/00/1092468800.db2.gz KZSFMMVNKSPMAU-OCCSQVGLSA-N 1 0 317.414 3.345 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC001168967566 1092470506 /nfs/dbraw/zinc/47/05/06/1092470506.db2.gz QWRAAFPNGKRDRP-CABZTGNLSA-N 1 0 320.286 3.380 20 5 DGBDRO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCC2)cc1 ZINC001168992338 1092477266 /nfs/dbraw/zinc/47/72/66/1092477266.db2.gz JMNOSSROHPRBSN-DZGCQCFKSA-N 1 0 304.390 3.109 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)C1 ZINC001168993574 1092477587 /nfs/dbraw/zinc/47/75/87/1092477587.db2.gz NHKIHSSFQPNHGE-HOCLYGCPSA-N 1 0 306.381 3.326 20 5 DGBDRO [NH3+]CCc1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2cc(Cl)ccc12 ZINC001168998864 1092478364 /nfs/dbraw/zinc/47/83/64/1092478364.db2.gz QRCANDMUBVEQTP-SMDDNHRTSA-N 1 0 321.808 3.414 20 5 DGBDRO [NH3+]CCc1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2cc(Cl)ccc12 ZINC001168998863 1092479178 /nfs/dbraw/zinc/47/91/78/1092479178.db2.gz QRCANDMUBVEQTP-RISCZKNCSA-N 1 0 321.808 3.414 20 5 DGBDRO COc1cccc(CC2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168998015 1092479366 /nfs/dbraw/zinc/47/93/66/1092479366.db2.gz HGAMBFHENQQRTD-CVEARBPZSA-N 1 0 318.417 3.053 20 5 DGBDRO COc1ccc(CC2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCC2)cc1 ZINC001168996986 1092479447 /nfs/dbraw/zinc/47/94/47/1092479447.db2.gz AOKORTRWQVXJKO-HOTGVXAUSA-N 1 0 318.417 3.195 20 5 DGBDRO COc1ccccc1[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC1 ZINC001169003579 1092483212 /nfs/dbraw/zinc/48/32/12/1092483212.db2.gz OGTPVVQWAMOWBN-QEORTHHSSA-N 1 0 304.390 3.181 20 5 DGBDRO Cc1ccccc1OC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006361 1092485842 /nfs/dbraw/zinc/48/58/42/1092485842.db2.gz GXNHARXBRARTOK-HOTGVXAUSA-N 1 0 318.417 3.284 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccccc2C(F)(F)F)C1 ZINC001168989906 1092492774 /nfs/dbraw/zinc/49/27/74/1092492774.db2.gz XQYHSMTYVXBYQM-YPMHNXCESA-N 1 0 316.323 3.283 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Sc3ccncc3)CC2)C1 ZINC001169033651 1092497347 /nfs/dbraw/zinc/49/73/47/1092497347.db2.gz CYHJZXGSWOPCHE-ZIAGYGMSSA-N 1 0 321.446 3.084 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001169038657 1092500082 /nfs/dbraw/zinc/50/00/82/1092500082.db2.gz JYSYMHWJRDXGBX-CHWSQXEVSA-N 1 0 300.358 3.236 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Oc3cccc(F)c3)CC2)C1 ZINC001169021816 1092503282 /nfs/dbraw/zinc/50/32/82/1092503282.db2.gz ADABUTSSMPMUJW-HIFRSBDPSA-N 1 0 322.380 3.114 20 5 DGBDRO Cc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169025026 1092505626 /nfs/dbraw/zinc/50/56/26/1092505626.db2.gz IMMOQLVMTRPFEN-SOLBZPMBSA-N 1 0 318.417 3.284 20 5 DGBDRO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049167 1092509024 /nfs/dbraw/zinc/50/90/24/1092509024.db2.gz WHQWQHNCQGPNKY-DJIMGWMZSA-N 1 0 318.417 3.415 20 5 DGBDRO CC1(C)C[C@@H](Nc2cnc(F)c([N+](=O)[O-])c2)C[C@](C)(C[NH3+])C1 ZINC001169151191 1092564950 /nfs/dbraw/zinc/56/49/50/1092564950.db2.gz GUKUPDPDDUTOGY-ABAIWWIYSA-N 1 0 310.373 3.085 20 5 DGBDRO CC1(C)C[C@H](Nc2cnc(F)c([N+](=O)[O-])c2)C[C@](C)(C[NH3+])C1 ZINC001169151193 1092565239 /nfs/dbraw/zinc/56/52/39/1092565239.db2.gz GUKUPDPDDUTOGY-NHYWBVRUSA-N 1 0 310.373 3.085 20 5 DGBDRO Cc1c(Nc2cc[nH+]c(N(C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291130 1093446132 /nfs/dbraw/zinc/44/61/32/1093446132.db2.gz SPUYOJHGHWEJKW-UHFFFAOYSA-N 1 0 317.305 3.016 20 5 DGBDRO Cc1cccc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001120071713 1094370983 /nfs/dbraw/zinc/37/09/83/1094370983.db2.gz AXMSIHZFTVISOV-RRFJBIMHSA-N 1 0 303.406 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@H]2C[NH2+]CCC[C@H]2F)c2ccccc21 ZINC001217773724 1094493652 /nfs/dbraw/zinc/49/36/52/1094493652.db2.gz KQSHNCOXDUBXJW-WBVHZDCISA-N 1 0 318.348 3.355 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001217976941 1094538763 /nfs/dbraw/zinc/53/87/63/1094538763.db2.gz YWZSPWXCGGCXFH-LLVKDONJSA-N 1 0 304.268 3.135 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217979584 1094539794 /nfs/dbraw/zinc/53/97/94/1094539794.db2.gz GXOZSYVVZVDTMK-KOLCDFICSA-N 1 0 322.258 3.083 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001217989701 1094545380 /nfs/dbraw/zinc/54/53/80/1094545380.db2.gz SXVFHLKDBYDEMS-QPUJVOFHSA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001217989707 1094545497 /nfs/dbraw/zinc/54/54/97/1094545497.db2.gz SXWXJZWOEMKMMW-SKDRFNHKSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001217989717 1094545785 /nfs/dbraw/zinc/54/57/85/1094545785.db2.gz TYQROOMLNSXHNS-QPUJVOFHSA-N 1 0 302.733 3.154 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3CCC[NH2+]CC3)ccc21 ZINC001217993565 1094547985 /nfs/dbraw/zinc/54/79/85/1094547985.db2.gz AKJYIZSQODWMTJ-CYBMUJFWSA-N 1 0 309.365 3.467 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CCC[NH2+]CC1 ZINC001217997290 1094549546 /nfs/dbraw/zinc/54/95/46/1094549546.db2.gz SIUGMYAKWUUMCM-SECBINFHSA-N 1 0 305.161 3.423 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001135495357 1094555132 /nfs/dbraw/zinc/55/51/32/1094555132.db2.gz ZRNGLRNSGVNQME-ZIAGYGMSSA-N 1 0 319.405 3.271 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[NH2+]CC[C@@H]2F)cc1Cl ZINC001218015739 1094561241 /nfs/dbraw/zinc/56/12/41/1094561241.db2.gz MTGSAKDSMZXLRW-GXSJLCMTSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]CC[C@H]2F)c(Cl)c1Cl ZINC001218018065 1094562266 /nfs/dbraw/zinc/56/22/66/1094562266.db2.gz LSOLYQZKYHYZIY-VXNVDRBHSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1CC[NH2+]CC[C@@H]1F ZINC001218018146 1094562697 /nfs/dbraw/zinc/56/26/97/1094562697.db2.gz YROUTBUJAQTTSB-DZGCQCFKSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(OC2CC3(C[NH2+]C3)C2)cc1 ZINC001218059221 1094580545 /nfs/dbraw/zinc/58/05/45/1094580545.db2.gz RBTYTNTVBZKGFE-UHFFFAOYSA-N 1 0 310.353 3.393 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1CC[NH2+]C[C@H]1F ZINC001218064588 1094582206 /nfs/dbraw/zinc/58/22/06/1094582206.db2.gz NDDKKIDUTFTFMV-GDBMZVCRSA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1cc(OC2CC3(C2)CC[NH2+]C3)c(Cl)cc1Cl ZINC001218063762 1094583107 /nfs/dbraw/zinc/58/31/07/1094583107.db2.gz WJRWQWWTNJLVJI-UHFFFAOYSA-N 1 0 317.172 3.423 20 5 DGBDRO c1ccc2c(c1)nc(OC[C@H]1CO[C@@H]3C[NH2+]C[C@H]13)c1ccccc21 ZINC001218082756 1094591700 /nfs/dbraw/zinc/59/17/00/1094591700.db2.gz SFKJYCMMGXQCFO-OMWUSAIZSA-N 1 0 320.392 3.001 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218094973 1094600154 /nfs/dbraw/zinc/60/01/54/1094600154.db2.gz XYIXHOBNEXGFSQ-KGLIPLIRSA-N 1 0 314.744 3.298 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@H]3CSC4(C[NH2+]C4)C3)nc2c1 ZINC001218103977 1094606057 /nfs/dbraw/zinc/60/60/57/1094606057.db2.gz STDOLRRXANAHKD-GFCCVEGCSA-N 1 0 323.421 3.009 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218114724 1094613712 /nfs/dbraw/zinc/61/37/12/1094613712.db2.gz CYINKBRGPNPFPJ-YPMHNXCESA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@@]23CC[NH2+]C3)cc1C(F)(F)F ZINC001218118980 1094618459 /nfs/dbraw/zinc/61/84/59/1094618459.db2.gz WTADZKAWEDOFOA-STQMWFEESA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1CCC2(C[NH2+]C2)C1 ZINC001218234602 1094670002 /nfs/dbraw/zinc/67/00/02/1094670002.db2.gz IZUVFGNHIGWOSQ-QMMMGPOBSA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)cc2)c1 ZINC001218331890 1094721642 /nfs/dbraw/zinc/72/16/42/1094721642.db2.gz UTANPHHMTFOGOW-BMGDILEWSA-N 1 0 310.353 3.249 20 5 DGBDRO C[C@H](CC(C)(C)C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336801685 1094743374 /nfs/dbraw/zinc/74/33/74/1094743374.db2.gz ONJIFKQUHMYDPS-GFCCVEGCSA-N 1 0 307.394 3.338 20 5 DGBDRO Oc1c2ccccc2c(OCCO[C@H]2CC[NH2+]C2)c2ccccc12 ZINC001218386903 1094743291 /nfs/dbraw/zinc/74/32/91/1094743291.db2.gz JAWHPDIDVLTHBZ-AWEZNQCLSA-N 1 0 323.392 3.456 20 5 DGBDRO C[C@H]1CC[C@@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C[NH2+]1 ZINC001218395323 1094746971 /nfs/dbraw/zinc/74/69/71/1094746971.db2.gz VXEBVXGLPGMXSJ-JGVFFNPUSA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@H]1CC[C@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218395569 1094748638 /nfs/dbraw/zinc/74/86/38/1094748638.db2.gz WVHCCXXDCIXVJK-WPRPVWTQSA-N 1 0 304.268 3.133 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218399390 1094750189 /nfs/dbraw/zinc/75/01/89/1094750189.db2.gz NTCOAQMDTQGZDT-LBPRGKRZSA-N 1 0 316.279 3.135 20 5 DGBDRO C[C@@H]1CC[C@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C[NH2+]1 ZINC001218401377 1094752955 /nfs/dbraw/zinc/75/29/55/1094752955.db2.gz HEHYWUXHZNTIRX-BDAKNGLRSA-N 1 0 304.268 3.133 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c(Cl)c1 ZINC001218459683 1094788677 /nfs/dbraw/zinc/78/86/77/1094788677.db2.gz HCFWQAOYUXLAEJ-JWKOBGCHSA-N 1 0 317.172 3.278 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)nc2c1 ZINC001218460732 1094790259 /nfs/dbraw/zinc/79/02/59/1094790259.db2.gz NTWCYGRWVOCHNV-IIYDPXPESA-N 1 0 305.381 3.160 20 5 DGBDRO CC1(C)C[C@@H](Oc2nccc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC001218472508 1094795144 /nfs/dbraw/zinc/79/51/44/1094795144.db2.gz QOJVUMSMKAWLNQ-ZDUSSCGKSA-N 1 0 301.346 3.052 20 5 DGBDRO O=[N+]([O-])c1cccc(O[C@@H]2C[NH2+]Cc3ccccc32)c1Cl ZINC001218484162 1094806159 /nfs/dbraw/zinc/80/61/59/1094806159.db2.gz IHKDJMGCGVGDEB-CQSZACIVSA-N 1 0 304.733 3.472 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(F)cc1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218483933 1094806833 /nfs/dbraw/zinc/80/68/33/1094806833.db2.gz AZOZLBZKERWWOP-OAHLLOKOSA-N 1 0 306.268 3.096 20 5 DGBDRO O=c1oc2cc(O[C@@H]3C[C@H]4C[NH2+][C@@H]3C4)ccc2c2ccccc21 ZINC001218489285 1094816829 /nfs/dbraw/zinc/81/68/29/1094816829.db2.gz LNRVHPALCDWKEG-LIXBPZJASA-N 1 0 307.349 3.075 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]Cc3ccccc32)ccc1Cl ZINC001218492161 1094820627 /nfs/dbraw/zinc/82/06/27/1094820627.db2.gz ZYGWCVOZFKLWAM-HNNXBMFYSA-N 1 0 304.733 3.472 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001338211323 1095222349 /nfs/dbraw/zinc/22/23/49/1095222349.db2.gz BSVBOQMEZXTBAE-SNVBAGLBSA-N 1 0 301.337 3.405 20 5 DGBDRO CC(=O)c1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001116028341 1095440206 /nfs/dbraw/zinc/44/02/06/1095440206.db2.gz PAUGJFZPURHMBI-ZFWWWQNUSA-N 1 0 305.378 3.082 20 5 DGBDRO CC(=O)c1ccc(N[C@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001116028337 1095440617 /nfs/dbraw/zinc/44/06/17/1095440617.db2.gz PAUGJFZPURHMBI-DZGCQCFKSA-N 1 0 305.378 3.082 20 5 DGBDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001118325035 1095983674 /nfs/dbraw/zinc/98/36/74/1095983674.db2.gz BTYGDOIXXBWLEL-BFYDXBDKSA-N 1 0 303.406 3.045 20 5 DGBDRO C[NH+](C)CC[C@H](OCc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC001224114345 1096136445 /nfs/dbraw/zinc/13/64/45/1096136445.db2.gz OBNWNQJPORTGKA-INIZCTEOSA-N 1 0 315.373 3.199 20 5 DGBDRO COc1cccc(-n2c(CC[NH3+])cc3ccccc32)c1[N+](=O)[O-] ZINC001171305707 1096226282 /nfs/dbraw/zinc/22/62/82/1096226282.db2.gz WFNUEZKWYNMFNA-UHFFFAOYSA-N 1 0 311.341 3.049 20 5 DGBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)OCC[N+](C)(C)C ZINC001224772409 1096282289 /nfs/dbraw/zinc/28/22/89/1096282289.db2.gz ZPGPNNSGPQORCI-LTIDMASMSA-N 1 0 314.490 3.102 20 5 DGBDRO C[NH+](C)Cc1ccc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001225330856 1096398575 /nfs/dbraw/zinc/39/85/75/1096398575.db2.gz ROYPYUPUXYTRIF-GOSISDBHSA-N 1 0 312.369 3.203 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1ncccc1[N+](=O)[O-])c1cccs1 ZINC001225592974 1096475845 /nfs/dbraw/zinc/47/58/45/1096475845.db2.gz JXSALCVBBTWNDO-LBPRGKRZSA-N 1 0 307.375 3.123 20 5 DGBDRO Cc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ncc1[N+](=O)[O-] ZINC001225661272 1096497737 /nfs/dbraw/zinc/49/77/37/1096497737.db2.gz JNNJVPRLBKFGDJ-WDNDVIMCSA-N 1 0 305.378 3.081 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC001225911766 1096560722 /nfs/dbraw/zinc/56/07/22/1096560722.db2.gz BDNMTTULTLMEPX-HNNXBMFYSA-N 1 0 316.332 3.387 20 5 DGBDRO CC[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225956995 1096573609 /nfs/dbraw/zinc/57/36/09/1096573609.db2.gz RZTFTMZUDIYROS-JTQLQIEISA-N 1 0 304.268 3.087 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)CC1 ZINC001226196870 1096636060 /nfs/dbraw/zinc/63/60/60/1096636060.db2.gz VXIGOWHRVRKRDB-VIFPVBQESA-N 1 0 302.733 3.250 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ccc(Br)cc2o1 ZINC001226302234 1096656418 /nfs/dbraw/zinc/65/64/18/1096656418.db2.gz WZGPJAYOAIQCGG-SECBINFHSA-N 1 0 314.203 3.064 20 5 DGBDRO C[NH+](C)CC[C@@H](Oc1c(O)cccc1[N+](=O)[O-])c1ccccc1 ZINC001226333958 1096663620 /nfs/dbraw/zinc/66/36/20/1096663620.db2.gz PRPZZDIRUMYDFA-MRXNPFEDSA-N 1 0 316.357 3.372 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001227125366 1096874474 /nfs/dbraw/zinc/87/44/74/1096874474.db2.gz DVTGZFZKUZIMQI-MRVPVSSYSA-N 1 0 308.185 3.375 20 5 DGBDRO Cc1ccc(O[C@@H](CC[NH+](C)C)c2cccs2)c([N+](=O)[O-])n1 ZINC001227221861 1096898674 /nfs/dbraw/zinc/89/86/74/1096898674.db2.gz FDYXJTNEWLUNBD-LBPRGKRZSA-N 1 0 321.402 3.432 20 5 DGBDRO CCC(C)(C)[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001171626584 1096938405 /nfs/dbraw/zinc/93/84/05/1096938405.db2.gz VSKMCQCBEQFRQO-CQSZACIVSA-N 1 0 305.422 3.462 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=O)Oc2ccccc2)cc1 ZINC001227538914 1096947910 /nfs/dbraw/zinc/94/79/10/1096947910.db2.gz OVWPEKXKUKOQBA-HNNXBMFYSA-N 1 0 314.405 3.379 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228017205 1097033173 /nfs/dbraw/zinc/03/31/73/1097033173.db2.gz UNSCSNRUIALSRQ-NSHDSACASA-N 1 0 300.305 3.125 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3ccc([N+](=O)[O-])cc3s1)C2 ZINC001228208935 1097073555 /nfs/dbraw/zinc/07/35/55/1097073555.db2.gz HWMVYBPDJUAQTC-IAZYJMLFSA-N 1 0 319.386 3.209 20 5 DGBDRO CC[N@@H+]1CC[C@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228930719 1097219846 /nfs/dbraw/zinc/21/98/46/1097219846.db2.gz OVBBBEAMLHTODL-VIFPVBQESA-N 1 0 304.268 3.087 20 5 DGBDRO C[C@@]1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC[C@@H](O)CC1 ZINC001172900447 1097268439 /nfs/dbraw/zinc/26/84/39/1097268439.db2.gz DVDHIPDFGPZBMI-SZMVWBNQSA-N 1 0 318.417 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC3(C1)CCCCO3)CC2 ZINC001172903977 1097269144 /nfs/dbraw/zinc/26/91/44/1097269144.db2.gz KOEIBZLCBJSTFO-MRXNPFEDSA-N 1 0 316.401 3.097 20 5 DGBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904814 1097269287 /nfs/dbraw/zinc/26/92/87/1097269287.db2.gz AROMSQSKNVXCOD-QGZVFWFLSA-N 1 0 311.385 3.369 20 5 DGBDRO CC(C)[N@H+]([C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)CN ZINC001172907749 1097270174 /nfs/dbraw/zinc/27/01/74/1097270174.db2.gz HYWAZRBYMMZCLA-INIZCTEOSA-N 1 0 319.449 3.290 20 5 DGBDRO Cc1nc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c(C)o1 ZINC001172895301 1097278305 /nfs/dbraw/zinc/27/83/05/1097278305.db2.gz BWDLNULLXHJVDC-OAHLLOKOSA-N 1 0 315.373 3.237 20 5 DGBDRO CCCO[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914017 1097278933 /nfs/dbraw/zinc/27/89/33/1097278933.db2.gz XLPIKBQGTPGQJC-SJLPKXTDSA-N 1 0 318.417 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCc3ncccc3C1)CC2 ZINC001172915517 1097279250 /nfs/dbraw/zinc/27/92/50/1097279250.db2.gz NUGRPSDCLOFLCE-QGZVFWFLSA-N 1 0 323.396 3.296 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCc3cccnc3C1)CC2 ZINC001172918575 1097280294 /nfs/dbraw/zinc/28/02/94/1097280294.db2.gz BLGMKLFJKXWGFM-KRWDZBQOSA-N 1 0 323.396 3.296 20 5 DGBDRO C[C@]1(O)CCCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172910438 1097292238 /nfs/dbraw/zinc/29/22/38/1097292238.db2.gz ZYQWGDSSSYNTMF-AEFFLSMTSA-N 1 0 318.417 3.079 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc3cccnc32)CC1 ZINC001229344404 1097301912 /nfs/dbraw/zinc/30/19/12/1097301912.db2.gz YFVVVHCWSVMXBK-CQSZACIVSA-N 1 0 301.346 3.006 20 5 DGBDRO CC(C)[N@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011430 1097306559 /nfs/dbraw/zinc/30/65/59/1097306559.db2.gz BRIZSIULNJNALD-UHFFFAOYSA-N 1 0 313.348 3.182 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(C)(C)C2CC2)c1F ZINC001173177929 1097355693 /nfs/dbraw/zinc/35/56/93/1097355693.db2.gz YIHLZFDCOAXVKX-SNVBAGLBSA-N 1 0 310.369 3.452 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CC(F)(F)C2)c1F ZINC001173174944 1097356291 /nfs/dbraw/zinc/35/62/91/1097356291.db2.gz GYELUZMQCUWYLP-QMMMGPOBSA-N 1 0 318.295 3.061 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)C2CCC2)c1F ZINC001173181451 1097356890 /nfs/dbraw/zinc/35/68/90/1097356890.db2.gz WLXZQXIIDQECSQ-MNOVXSKESA-N 1 0 310.369 3.452 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2C[C@H](F)C2)c1F ZINC001173190217 1097358159 /nfs/dbraw/zinc/35/81/59/1097358159.db2.gz WAJALMSUAYYXIL-GMTAPVOTSA-N 1 0 314.332 3.011 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC(C)(C)N(O)C1(C)C ZINC001173216508 1097367615 /nfs/dbraw/zinc/36/76/15/1097367615.db2.gz CCZJULOZCUSCBA-IUODEOHRSA-N 1 0 321.421 3.136 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](C[NH3+])c2ccccc21 ZINC001173216649 1097368606 /nfs/dbraw/zinc/36/86/06/1097368606.db2.gz DSVZKAFGHQKOSC-ZFWWWQNUSA-N 1 0 311.385 3.088 20 5 DGBDRO Cc1ccc([C@@H](CO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173218300 1097369243 /nfs/dbraw/zinc/36/92/43/1097369243.db2.gz ADEPMBDVJGWDID-RDTXWAMCSA-N 1 0 314.385 3.157 20 5 DGBDRO COc1cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001173219869 1097371057 /nfs/dbraw/zinc/37/10/57/1097371057.db2.gz 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C[C@]12C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001176620512 1098393966 /nfs/dbraw/zinc/39/39/66/1098393966.db2.gz UHNNMILKALVHIH-IHETXDGRSA-N 1 0 314.385 3.118 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2c(F)cc(F)cc2[N+](=O)[O-])CC1 ZINC001233700127 1098411549 /nfs/dbraw/zinc/41/15/49/1098411549.db2.gz ZOULXNNAMBELIF-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233754025 1098421838 /nfs/dbraw/zinc/42/18/38/1098421838.db2.gz QIDFPBJIWRFPDI-JTQLQIEISA-N 1 0 300.305 3.125 20 5 DGBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001176926511 1098451442 /nfs/dbraw/zinc/45/14/42/1098451442.db2.gz KBVWOWYDVPUMHL-WMLDXEAASA-N 1 0 320.389 3.137 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2cc(Br)ccc2c1 ZINC001234523102 1098579003 /nfs/dbraw/zinc/57/90/03/1098579003.db2.gz BLWCEJUMVHTSPV-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO CCOC(=O)CCc1ccc(O[C@H](C)C[N+](C)(C)C)c(C)c1C ZINC001234830825 1098674232 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Cn1cc(C[N@H+](C)C2CCC(C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC001190589151 1100302451 /nfs/dbraw/zinc/30/24/51/1100302451.db2.gz KOBSNDDHGNJCFT-UHFFFAOYSA-N 1 0 308.426 3.365 20 5 DGBDRO C[C@@](CO)([NH2+]CCC1=CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001196907304 1101431504 /nfs/dbraw/zinc/43/15/04/1101431504.db2.gz KSYHSIVPYJDDAR-KRWDZBQOSA-N 1 0 304.390 3.282 20 5 DGBDRO C[C@]12C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001198243491 1101794767 /nfs/dbraw/zinc/79/47/67/1101794767.db2.gz VVSQYUFRIORGNN-GMIGKAJZSA-N 1 0 302.349 3.378 20 5 DGBDRO CO[C@@H](C)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000688086340 1103198041 /nfs/dbraw/zinc/19/80/41/1103198041.db2.gz XSBVNAIYVWMMTH-NSHDSACASA-N 1 0 300.786 3.494 20 5 DGBDRO CN(C)c1ccc(F)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001649171367 1104164278 /nfs/dbraw/zinc/16/42/78/1104164278.db2.gz PLNSJPURJANEPH-UHFFFAOYSA-N 1 0 317.364 3.132 20 5 DGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001330089855 1104477593 /nfs/dbraw/zinc/47/75/93/1104477593.db2.gz YEGGAUQPNUXHPC-UKRRQHHQSA-N 1 0 310.419 3.190 20 5 DGBDRO C[N@H+]([C@@H]1CCCC[C@H]1N)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246921831 1104738808 /nfs/dbraw/zinc/73/88/08/1104738808.db2.gz SLZOSYOCIVVHAZ-KBAYOESNSA-N 1 0 317.433 3.044 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001246990736 1104766684 /nfs/dbraw/zinc/76/66/84/1104766684.db2.gz XWRXGJFZZVOYRL-RDTXWAMCSA-N 1 0 317.433 3.132 20 5 DGBDRO C[NH+](C)CCNC(=S)Nc1ccc2nc3ccccc3cc2c1 ZINC001249841307 1105390696 /nfs/dbraw/zinc/39/06/96/1105390696.db2.gz PXUNCJBTDQLOIX-UHFFFAOYSA-N 1 0 324.453 3.236 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC001254479476 1106078762 /nfs/dbraw/zinc/07/87/62/1106078762.db2.gz AQTCYOZZRGLHEX-SUMWQHHRSA-N 1 0 301.390 3.048 20 5 DGBDRO Cc1ccc2ncc(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])n2c1 ZINC001254532940 1106096877 /nfs/dbraw/zinc/09/68/77/1106096877.db2.gz UHBTVUMDMBDZLJ-AWEZNQCLSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@H](CCCC(C)(C)O)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540754 1106098691 /nfs/dbraw/zinc/09/86/91/1106098691.db2.gz VYSDJTUABZZAAJ-KGLIPLIRSA-N 1 0 308.422 3.445 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2ncoc21 ZINC001254541325 1106099468 /nfs/dbraw/zinc/09/94/68/1106099468.db2.gz GOLWQONPQKCOIS-LBPRGKRZSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cncn1C1CCC1 ZINC001254547032 1106100578 /nfs/dbraw/zinc/10/05/78/1106100578.db2.gz UBTHBMCOUYVYIK-ZDUSSCGKSA-N 1 0 314.389 3.237 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2ccccc2C1=O ZINC001254549023 1106101127 /nfs/dbraw/zinc/10/11/27/1106101127.db2.gz PRILUWGJLBWQLD-DYVFJYSZSA-N 1 0 324.380 3.313 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001254550579 1106101579 /nfs/dbraw/zinc/10/15/79/1106101579.db2.gz MGXFMJHEDDKNSS-KMFMINBZSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(C[NH3+])c(F)c1 ZINC001254548941 1106101702 /nfs/dbraw/zinc/10/17/02/1106101702.db2.gz NVQXDNPBKMYTOV-NSHDSACASA-N 1 0 303.337 3.236 20 5 DGBDRO Cc1cccc([C@@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254549839 1106101725 /nfs/dbraw/zinc/10/17/25/1106101725.db2.gz XPWIKQKKUHFIDT-RHSMWYFYSA-N 1 0 314.385 3.157 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001254551470 1106101865 /nfs/dbraw/zinc/10/18/65/1106101865.db2.gz BOYDKJWKOAKTDC-GUYCJALGSA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001254563156 1106103904 /nfs/dbraw/zinc/10/39/04/1106103904.db2.gz VDOGPXCPWUNUMB-WBVHZDCISA-N 1 0 317.433 3.086 20 5 DGBDRO Cn1cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc21 ZINC001254565263 1106104864 /nfs/dbraw/zinc/10/48/64/1106104864.db2.gz CSUQHHUARKVJDJ-INIZCTEOSA-N 1 0 321.380 3.344 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCc3ncccc31)C2 ZINC001254574713 1106106721 /nfs/dbraw/zinc/10/67/21/1106106721.db2.gz KJWKODQBFOFUHJ-RDTXWAMCSA-N 1 0 309.369 3.124 20 5 DGBDRO Cc1ccccc1OCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573291 1106106733 /nfs/dbraw/zinc/10/67/33/1106106733.db2.gz XGPBWTDQYBUCLN-MRXNPFEDSA-N 1 0 312.369 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccc(F)cc1)C2 ZINC001254579615 1106107470 /nfs/dbraw/zinc/10/74/70/1106107470.db2.gz UMKWBDYJAVSYAK-KBAYOESNSA-N 1 0 312.344 3.347 20 5 DGBDRO Cc1c(F)ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1F ZINC001254579622 1106107678 /nfs/dbraw/zinc/10/76/78/1106107678.db2.gz UNJAEYDTNHGNCZ-CQSZACIVSA-N 1 0 318.323 3.438 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)C2 ZINC001254577939 1106107714 /nfs/dbraw/zinc/10/77/14/1106107714.db2.gz INBFPGSTUBWARJ-AWEZNQCLSA-N 1 0 318.323 3.173 20 5 DGBDRO Cc1nc([C@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC001254581041 1106108566 /nfs/dbraw/zinc/10/85/66/1106108566.db2.gz IJRFYAGQZABPIE-TVQRCGJNSA-N 1 0 303.387 3.178 20 5 DGBDRO COC[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254587695 1106108978 /nfs/dbraw/zinc/10/89/78/1106108978.db2.gz ZAJFKSGLYDNWTN-WMZOPIPTSA-N 1 0 312.369 3.039 20 5 DGBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc2c(c1)CCO2 ZINC001254588397 1106109072 /nfs/dbraw/zinc/10/90/72/1106109072.db2.gz FKSSIBNQWMGPAZ-PXAZEXFGSA-N 1 0 324.380 3.348 20 5 DGBDRO COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586327 1106109289 /nfs/dbraw/zinc/10/92/89/1106109289.db2.gz QKNAACKDPYHNGT-DNVCBOLYSA-N 1 0 324.380 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(OC3CCC3)CC1)C2 ZINC001254593956 1106109970 /nfs/dbraw/zinc/10/99/70/1106109970.db2.gz OJEPRYSXICIQMM-MRXNPFEDSA-N 1 0 316.401 3.096 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H]1c1ccncc1)C2 ZINC001254599577 1106110809 /nfs/dbraw/zinc/11/08/09/1106110809.db2.gz MUVHCBFZHNOEAA-ROUUACIJSA-N 1 0 309.369 3.294 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H]1c1cccnc1)C2 ZINC001254597309 1106110935 /nfs/dbraw/zinc/11/09/35/1106110935.db2.gz HBDYJHFDBHRMPE-ZWKOTPCHSA-N 1 0 309.369 3.294 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H](F)C(F)(F)CC1)C2 ZINC001254600966 1106111530 /nfs/dbraw/zinc/11/15/30/1106111530.db2.gz XINNRNQVCJTTGW-KBPBESRZSA-N 1 0 314.307 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](F)C(F)(F)CC1)C2 ZINC001254600968 1106111592 /nfs/dbraw/zinc/11/15/92/1106111592.db2.gz XINNRNQVCJTTGW-KGLIPLIRSA-N 1 0 314.307 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCc3ccc(F)cc3C1)C2 ZINC001254604781 1106111609 /nfs/dbraw/zinc/11/16/09/1106111609.db2.gz XNAYPJDAWPWGNM-SFHVURJKSA-N 1 0 312.344 3.259 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCc3ccsc3C1)C2 ZINC001254600726 1106111788 /nfs/dbraw/zinc/11/17/88/1106111788.db2.gz QXYNPBMZXFELJJ-HNNXBMFYSA-N 1 0 300.383 3.182 20 5 DGBDRO COc1ccc2c(c1)C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254602281 1106111849 /nfs/dbraw/zinc/11/18/49/1106111849.db2.gz CMJBNJYVMMGFOX-KRWDZBQOSA-N 1 0 310.353 3.086 20 5 DGBDRO COc1cc(N2CCC([NH2+]CC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256083898 1106367473 /nfs/dbraw/zinc/36/74/73/1106367473.db2.gz XTZVYXPIBXFIMZ-UHFFFAOYSA-N 1 0 321.421 3.208 20 5 DGBDRO CC[C@@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256081989 1106367629 /nfs/dbraw/zinc/36/76/29/1106367629.db2.gz HLJBEZADPWGKFC-CYBMUJFWSA-N 1 0 321.421 3.208 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CC3)CCOCC2)cc1Cl ZINC001321635675 1107399973 /nfs/dbraw/zinc/39/99/73/1107399973.db2.gz DUEFKIMEVGRPBW-UHFFFAOYSA-N 1 0 310.781 3.297 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cnn1C ZINC001261853035 1107548819 /nfs/dbraw/zinc/54/88/19/1107548819.db2.gz VVMXXCKKZMLJCX-GHMZBOCLSA-N 1 0 320.368 3.058 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)c2c1 ZINC001317668141 1107587562 /nfs/dbraw/zinc/58/75/62/1107587562.db2.gz OCIZOKIDCCTYEW-UKRRQHHQSA-N 1 0 314.389 3.414 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC001262731667 1107793202 /nfs/dbraw/zinc/79/32/02/1107793202.db2.gz AETAXRDTDOYUKT-SNVBAGLBSA-N 1 0 323.422 3.132 20 5 DGBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001318054537 1107811599 /nfs/dbraw/zinc/81/15/99/1107811599.db2.gz NDGFDTPONCKRKY-CJNGLKHVSA-N 1 0 319.405 3.037 20 5 DGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001324990906 1108552672 /nfs/dbraw/zinc/55/26/72/1108552672.db2.gz UOCHCYBKHQWYFL-UONOGXRCSA-N 1 0 314.389 3.414 20 5 DGBDRO CC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](CC)CO1 ZINC001307908520 1111354508 /nfs/dbraw/zinc/35/45/08/1111354508.db2.gz QMQFDEWZDDLTRF-GDBMZVCRSA-N 1 0 322.405 3.253 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](C3CCCCC3)C2)n1 ZINC001307957155 1111360024 /nfs/dbraw/zinc/36/00/24/1111360024.db2.gz CEFXZVTZGXXILQ-HNNXBMFYSA-N 1 0 306.410 3.084 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001308137506 1111383484 /nfs/dbraw/zinc/38/34/84/1111383484.db2.gz XNEKUWBRFPPCRI-AWEZNQCLSA-N 1 0 319.405 3.496 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001308201918 1111396618 /nfs/dbraw/zinc/39/66/18/1111396618.db2.gz XEOMIROWSHDPDV-CABCVRRESA-N 1 0 305.422 3.256 20 5 DGBDRO CCc1cccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC001308246455 1111403546 /nfs/dbraw/zinc/40/35/46/1111403546.db2.gz BFBZLUIZMMSUNL-UHFFFAOYSA-N 1 0 300.358 3.326 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001308275023 1111409060 /nfs/dbraw/zinc/40/90/60/1111409060.db2.gz WYGYFJGBFDPHLV-JKSUJKDBSA-N 1 0 312.369 3.324 20 5 DGBDRO COc1ccc(O[C@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001308291962 1111412237 /nfs/dbraw/zinc/41/22/37/1111412237.db2.gz AMHCDECJATZSSM-CYBMUJFWSA-N 1 0 316.357 3.161 20 5 DGBDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001308299132 1111412871 /nfs/dbraw/zinc/41/28/71/1111412871.db2.gz YEXYWMHEKHKVGB-DFFLPILJSA-N 1 0 324.446 3.073 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001308543613 1111440739 /nfs/dbraw/zinc/44/07/39/1111440739.db2.gz MYQYIXXVAFTLGH-OAHLLOKOSA-N 1 0 305.422 3.292 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC001308547816 1111441639 /nfs/dbraw/zinc/44/16/39/1111441639.db2.gz SCQRYPUYSKHXFJ-TVYUQYBPSA-N 1 0 312.316 3.474 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC3(C2)CCCCC3)c1[N+](=O)[O-] ZINC001308562564 1111444688 /nfs/dbraw/zinc/44/46/88/1111444688.db2.gz FZHDOXIRLNSNBB-UHFFFAOYSA-N 1 0 320.389 3.465 20 5 DGBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001308593370 1111448171 /nfs/dbraw/zinc/44/81/71/1111448171.db2.gz HPEHWQGRJAWRDJ-INIZCTEOSA-N 1 0 319.449 3.375 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3C[C@@H]4CC[C@@H](C4)C3)nc2c1 ZINC001308723260 1111466260 /nfs/dbraw/zinc/46/62/60/1111466260.db2.gz OYZYOUZVOXKHET-ZSBIGDGJSA-N 1 0 300.362 3.139 20 5 DGBDRO [NH3+]CCN(Cc1cccc(C2CC2)c1)c1ccccc1[N+](=O)[O-] ZINC001308747292 1111469934 /nfs/dbraw/zinc/46/99/34/1111469934.db2.gz OLWYUPYQGYOXLL-UHFFFAOYSA-N 1 0 311.385 3.438 20 5 DGBDRO CC(C)CC[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001308862883 1111485503 /nfs/dbraw/zinc/48/55/03/1111485503.db2.gz FMRAQPUWEHUHPH-CYBMUJFWSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1cc(NC(=O)NCCC[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC001310488696 1111561903 /nfs/dbraw/zinc/56/19/03/1111561903.db2.gz ZPYOQIAVVWUXPP-UHFFFAOYSA-N 1 0 322.409 3.003 20 5 DGBDRO C[NH+](C)Cc1ccc(NCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000414492120 230765352 /nfs/dbraw/zinc/76/53/52/230765352.db2.gz VSEZEAZANOASRN-UHFFFAOYSA-N 1 0 303.337 3.408 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000314890236 231136123 /nfs/dbraw/zinc/13/61/23/231136123.db2.gz GRYUUNWSRFFZDB-VXGBXAGGSA-N 1 0 312.797 3.137 20 5 DGBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCC2)c2ncccc12 ZINC000315077645 231137574 /nfs/dbraw/zinc/13/75/74/231137574.db2.gz SSKOSSHYELSGKL-UHFFFAOYSA-N 1 0 300.362 3.041 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000314421913 231130548 /nfs/dbraw/zinc/13/05/48/231130548.db2.gz FMYLZARRCCYDCM-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DGBDRO CCn1nccc1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000278761093 214383362 /nfs/dbraw/zinc/38/33/62/214383362.db2.gz BOTQNYOUJUTAPW-UHFFFAOYSA-N 1 0 314.389 3.191 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000322725265 231211606 /nfs/dbraw/zinc/21/16/06/231211606.db2.gz RYSHNCULIGFMBU-QWHCGFSZSA-N 1 0 312.373 3.182 20 5 DGBDRO CC[NH+](CC)CCSCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083092623 185213175 /nfs/dbraw/zinc/21/31/75/185213175.db2.gz XCVBRZSYBZOVEY-UHFFFAOYSA-N 1 0 309.391 3.311 20 5 DGBDRO CC[C@H](NC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000295922059 529481121 /nfs/dbraw/zinc/48/11/21/529481121.db2.gz AEXCVJCEDWJQGS-KCXAZCMYSA-N 1 0 319.405 3.070 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C)CC1 ZINC000063309313 432004720 /nfs/dbraw/zinc/00/47/20/432004720.db2.gz NUNXVOMHXXNNRR-ZDUSSCGKSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](CC(C)C)CC(C)C ZINC000096969033 185394295 /nfs/dbraw/zinc/39/42/95/185394295.db2.gz XOJOQRWNIADODE-UHFFFAOYSA-N 1 0 321.421 3.456 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413311597 529701106 /nfs/dbraw/zinc/70/11/06/529701106.db2.gz DWKLHQXYENRUER-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO COc1cc(C[N@H+](C)CC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000092667286 185332386 /nfs/dbraw/zinc/33/23/86/185332386.db2.gz QZFSGHHBSLJJOS-UHFFFAOYSA-N 1 0 308.378 3.234 20 5 DGBDRO CCC[NH+](CCC)CCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000102758619 185420422 /nfs/dbraw/zinc/42/04/22/185420422.db2.gz WICWWSLXXMFBNC-UHFFFAOYSA-N 1 0 321.421 3.145 20 5 DGBDRO C[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1[N+](=O)[O-] ZINC000173471169 529933381 /nfs/dbraw/zinc/93/33/81/529933381.db2.gz RCDRQBKVDBHVEX-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000183228519 199558650 /nfs/dbraw/zinc/55/86/50/199558650.db2.gz FGIIERVKRYLORS-DDWPSWQVSA-N 1 0 302.374 3.203 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000181840059 199360370 /nfs/dbraw/zinc/36/03/70/199360370.db2.gz SHGQEVZMJSXNSW-AWEZNQCLSA-N 1 0 321.421 3.199 20 5 DGBDRO CC[C@@H](c1ccncc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000130146559 432015968 /nfs/dbraw/zinc/01/59/68/432015968.db2.gz HHRAKLXFHXFTTC-HNNXBMFYSA-N 1 0 315.373 3.452 20 5 DGBDRO CC[C@@](C)(O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130136483 432016122 /nfs/dbraw/zinc/01/61/22/432016122.db2.gz MJASUPVLHOLSKR-UKPHBRMFSA-N 1 0 306.406 3.057 20 5 DGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000272675231 210079150 /nfs/dbraw/zinc/07/91/50/210079150.db2.gz UMUMSBGGJISXID-KIBVIPRGSA-N 1 0 304.390 3.091 20 5 DGBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000066532548 432017245 /nfs/dbraw/zinc/01/72/45/432017245.db2.gz PKJGFOKXVZOOFX-RYUDHWBXSA-N 1 0 306.362 3.224 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccccc3)CCCCC2)c1 ZINC000130310337 432020680 /nfs/dbraw/zinc/02/06/80/432020680.db2.gz FXZVMDWHOZSKBD-UHFFFAOYSA-N 1 0 314.389 3.241 20 5 DGBDRO Cn1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000130411883 432024363 /nfs/dbraw/zinc/02/43/63/432024363.db2.gz MYBFCHSAZMJGCO-DOTOQJQBSA-N 1 0 313.401 3.434 20 5 DGBDRO COCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000066995957 432024653 /nfs/dbraw/zinc/02/46/53/432024653.db2.gz LNNOPAAAFAJCTR-UHFFFAOYSA-N 1 0 304.346 3.369 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000181920880 186219551 /nfs/dbraw/zinc/21/95/51/186219551.db2.gz GILXJIIXGUUMDB-KBMXLJTQSA-N 1 0 302.374 3.032 20 5 DGBDRO COCCCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172011055 198025631 /nfs/dbraw/zinc/02/56/31/198025631.db2.gz QJLMSWPDXJSXEN-UHFFFAOYSA-N 1 0 300.786 3.497 20 5 DGBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386519 432030507 /nfs/dbraw/zinc/03/05/07/432030507.db2.gz VJZOLWVCWQIRJS-KRWDZBQOSA-N 1 0 315.373 3.149 20 5 DGBDRO COc1cc(C[N@H+](C)C2CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000173915512 198268580 /nfs/dbraw/zinc/26/85/80/198268580.db2.gz RQUYUQKDNQCMDW-UHFFFAOYSA-N 1 0 316.304 3.189 20 5 DGBDRO CC(C)OCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241911 198310357 /nfs/dbraw/zinc/31/03/57/198310357.db2.gz LJURLVSRXJEMAV-UHFFFAOYSA-N 1 0 322.405 3.253 20 5 DGBDRO CCCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000131882376 432041041 /nfs/dbraw/zinc/04/10/41/432041041.db2.gz GRJYBOOIRCZTHN-GFCCVEGCSA-N 1 0 323.393 3.052 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075021062 191409784 /nfs/dbraw/zinc/40/97/84/191409784.db2.gz ICSLWHHSLDMSCH-TXEJJXNPSA-N 1 0 316.361 3.408 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000067977378 432047817 /nfs/dbraw/zinc/04/78/17/432047817.db2.gz OYUZRAKJAOUHKR-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000165016853 432052800 /nfs/dbraw/zinc/05/28/00/432052800.db2.gz WYAAMCCASMUFCK-CYBMUJFWSA-N 1 0 313.357 3.274 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CSCCS2)cccc1[N+](=O)[O-] ZINC000165752607 432057298 /nfs/dbraw/zinc/05/72/98/432057298.db2.gz QRJXSNGDJNECAY-RYUDHWBXSA-N 1 0 312.460 3.402 20 5 DGBDRO COc1ccc(C[NH2+]CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000237161834 202171338 /nfs/dbraw/zinc/17/13/38/202171338.db2.gz BAFDQOVJDMTWNZ-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000133473033 432064536 /nfs/dbraw/zinc/06/45/36/432064536.db2.gz QBSMDZVHCLJBMR-FZMZJTMJSA-N 1 0 309.797 3.169 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CSCCS2)c(Cl)c1 ZINC000168133352 432067569 /nfs/dbraw/zinc/06/75/69/432067569.db2.gz YOKKOBFONPBCEK-LLVKDONJSA-N 1 0 318.851 3.186 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000179398568 199028378 /nfs/dbraw/zinc/02/83/78/199028378.db2.gz PKYTXIOWPRDTFN-ZDUSSCGKSA-N 1 0 316.357 3.466 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000237328953 202233107 /nfs/dbraw/zinc/23/31/07/202233107.db2.gz MGVUULRFJUZRPR-ZDUSSCGKSA-N 1 0 302.349 3.497 20 5 DGBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180855467 199219048 /nfs/dbraw/zinc/21/90/48/199219048.db2.gz TYYKGGJQOJHHKN-TZMCWYRMSA-N 1 0 316.357 3.058 20 5 DGBDRO COc1ccc(C[N@@H+]2CCCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000134579886 432080102 /nfs/dbraw/zinc/08/01/02/432080102.db2.gz UBPLMXDGPPFGNN-ZDUSSCGKSA-N 1 0 310.419 3.321 20 5 DGBDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449672783 240358724 /nfs/dbraw/zinc/35/87/24/240358724.db2.gz XPSKZECBASNHKT-LLVKDONJSA-N 1 0 304.321 3.160 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[C@H](O)C3)o2)cc1 ZINC000188843711 200311998 /nfs/dbraw/zinc/31/19/98/200311998.db2.gz OHLCOSGGSBFTMQ-DOMZBBRYSA-N 1 0 316.357 3.105 20 5 DGBDRO CN(C)CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000428095987 238008998 /nfs/dbraw/zinc/00/89/98/238008998.db2.gz AOXMYHBTGYJDBI-CLFYSBASSA-N 1 0 317.433 3.414 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429575847 238056123 /nfs/dbraw/zinc/05/61/23/238056123.db2.gz AWLMRIHPGJPPHF-OLZOCXBDSA-N 1 0 308.378 3.103 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCC3CC(O)C3)o2)c1 ZINC000432361626 238126419 /nfs/dbraw/zinc/12/64/19/238126419.db2.gz DTQKSBYPQIVJTJ-UHFFFAOYSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000432422907 238128392 /nfs/dbraw/zinc/12/83/92/238128392.db2.gz WAOCRMWXHNQWMI-VVBDHPJYSA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1nc(NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000268487503 432095276 /nfs/dbraw/zinc/09/52/76/432095276.db2.gz MXQRYXIXHNNIGA-CQSZACIVSA-N 1 0 316.361 3.140 20 5 DGBDRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189833435 432095341 /nfs/dbraw/zinc/09/53/41/432095341.db2.gz QRZQTVLBHXSSMY-SECBINFHSA-N 1 0 324.274 3.162 20 5 DGBDRO Cn1nccc1[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000281492488 216339100 /nfs/dbraw/zinc/33/91/00/216339100.db2.gz TVMRLUJWSOUKMS-QGZVFWFLSA-N 1 0 314.389 3.098 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000441488577 239058083 /nfs/dbraw/zinc/05/80/83/239058083.db2.gz NDNOLEWLYNLBBR-HNNXBMFYSA-N 1 0 320.389 3.247 20 5 DGBDRO Cc1ccc(C[NH2+]CC2([C@H](C)CCO)CCC2)cc1[N+](=O)[O-] ZINC000271832854 209253338 /nfs/dbraw/zinc/25/33/38/209253338.db2.gz PFXIVYCFAGCCQF-CQSZACIVSA-N 1 0 306.406 3.182 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000447798427 239697830 /nfs/dbraw/zinc/69/78/30/239697830.db2.gz WMPUCLCLLKORIO-XJKSGUPXSA-N 1 0 305.422 3.366 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000449123207 240027615 /nfs/dbraw/zinc/02/76/15/240027615.db2.gz BNZFODZLUVYBPW-GOEBONIOSA-N 1 0 317.433 3.132 20 5 DGBDRO Cc1cccc2nc(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])cn21 ZINC000449121850 240028016 /nfs/dbraw/zinc/02/80/16/240028016.db2.gz JLTODUQQVYQLJY-CYBMUJFWSA-N 1 0 324.384 3.272 20 5 DGBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159999 240044891 /nfs/dbraw/zinc/04/48/91/240044891.db2.gz KFCANFAPCNCAPB-RYUDHWBXSA-N 1 0 317.389 3.351 20 5 DGBDRO CCCC(O)(CCC)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449162757 240046863 /nfs/dbraw/zinc/04/68/63/240046863.db2.gz TUGWJLCKIBWGBO-AWEZNQCLSA-N 1 0 308.422 3.447 20 5 DGBDRO Cc1nc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])sc1C ZINC000449166441 240049152 /nfs/dbraw/zinc/04/91/52/240049152.db2.gz CXJBMCAGEFWDOC-JTQLQIEISA-N 1 0 305.403 3.389 20 5 DGBDRO COC1CCC(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449179697 240055045 /nfs/dbraw/zinc/05/50/45/240055045.db2.gz WKVLQOYANCDWOZ-HLIUYOAVSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1c[nH]c2ncccc12 ZINC000449210509 240070386 /nfs/dbraw/zinc/07/03/86/240070386.db2.gz UEWYUELASNTDAZ-ZDUSSCGKSA-N 1 0 324.384 3.234 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cncc(F)c1 ZINC000449233888 240080955 /nfs/dbraw/zinc/08/09/55/240080955.db2.gz NTSBAXRHHPDNNI-VXGBXAGGSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1nccn1C)C1CC1 ZINC000449317785 240127740 /nfs/dbraw/zinc/12/77/40/240127740.db2.gz CBFZRQVCNLYLAA-LRDDRELGSA-N 1 0 314.389 3.000 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(OC)CCCC1 ZINC000449345074 240146690 /nfs/dbraw/zinc/14/66/90/240146690.db2.gz GKVFJTPBTDCXRL-UHFFFAOYSA-N 1 0 308.378 3.042 20 5 DGBDRO COC[C@@]1(C)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000449393264 240170847 /nfs/dbraw/zinc/17/08/47/240170847.db2.gz LYBGGWHJIGWYBJ-DZXKJOIRSA-N 1 0 304.390 3.357 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1noc2c1CCCC2 ZINC000449328814 240134357 /nfs/dbraw/zinc/13/43/57/240134357.db2.gz LLWHEUYTFYCQOF-LBPRGKRZSA-N 1 0 315.373 3.182 20 5 DGBDRO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498489 240247686 /nfs/dbraw/zinc/24/76/86/240247686.db2.gz KSQWWMGSDAYKLY-OAHLLOKOSA-N 1 0 314.389 3.016 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3CCCOC3)C2)cc1 ZINC000449499636 240247827 /nfs/dbraw/zinc/24/78/27/240247827.db2.gz MJSVVWOCZXBIRC-GDBMZVCRSA-N 1 0 304.390 3.201 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000449476955 240231687 /nfs/dbraw/zinc/23/16/87/240231687.db2.gz ODFVMPLMAPYWEE-CQSZACIVSA-N 1 0 320.389 3.042 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000449480134 240232257 /nfs/dbraw/zinc/23/22/57/240232257.db2.gz XIFOOQUYWTUSSN-OAHLLOKOSA-N 1 0 304.390 3.342 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449482402 240236834 /nfs/dbraw/zinc/23/68/34/240236834.db2.gz YJDRNRHXKPLICB-CABCVRRESA-N 1 0 318.417 3.465 20 5 DGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000449581837 240304760 /nfs/dbraw/zinc/30/47/60/240304760.db2.gz CETNNYDBRFCAAS-LOWQCSRCSA-N 1 0 306.406 3.337 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000449504895 240252933 /nfs/dbraw/zinc/25/29/33/240252933.db2.gz WONUJQMFXMPURM-MRXNPFEDSA-N 1 0 322.405 3.240 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CO)C(C)C ZINC000449515361 240261010 /nfs/dbraw/zinc/26/10/10/240261010.db2.gz YVHMIQIPUTXJOM-GOEBONIOSA-N 1 0 312.385 3.113 20 5 DGBDRO CCC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)COC1 ZINC000449596683 240311872 /nfs/dbraw/zinc/31/18/72/240311872.db2.gz CABCIVMNLKPCCK-UHFFFAOYSA-N 1 0 316.357 3.371 20 5 DGBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000449631309 240332056 /nfs/dbraw/zinc/33/20/56/240332056.db2.gz KHHGQSBKKVKSAN-CABCVRRESA-N 1 0 308.353 3.123 20 5 DGBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449634578 240335622 /nfs/dbraw/zinc/33/56/22/240335622.db2.gz WEWCACROWAHPTL-DCGLDWPTSA-N 1 0 306.406 3.319 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)C(C)(C)O ZINC000449719314 240381632 /nfs/dbraw/zinc/38/16/32/240381632.db2.gz HAUFOILYONZWBH-UKTHLTGXSA-N 1 0 306.406 3.385 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)C(C)(C)O ZINC000449719313 240381734 /nfs/dbraw/zinc/38/17/34/240381734.db2.gz HAUFOILYONZWBH-LCYFTJDESA-N 1 0 306.406 3.385 20 5 DGBDRO CCC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])COC1 ZINC000449598964 240313525 /nfs/dbraw/zinc/31/35/25/240313525.db2.gz JRDHUPHGMJEPEE-HOCLYGCPSA-N 1 0 318.417 3.322 20 5 DGBDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1C ZINC000451544413 241164187 /nfs/dbraw/zinc/16/41/87/241164187.db2.gz FIWGQTARTSQNGA-OAHLLOKOSA-N 1 0 314.389 3.016 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451616010 241191753 /nfs/dbraw/zinc/19/17/53/241191753.db2.gz QPXVTCGGSMADIP-BBRMVZONSA-N 1 0 324.808 3.135 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451696111 241209627 /nfs/dbraw/zinc/20/96/27/241209627.db2.gz FTFINYPTJRZMDV-AGIUHOORSA-N 1 0 324.808 3.231 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000189980948 432109549 /nfs/dbraw/zinc/10/95/49/432109549.db2.gz SRRUWMYGCMBMOZ-ZBFHGGJFSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000452183921 241344125 /nfs/dbraw/zinc/34/41/25/241344125.db2.gz PLIQMBCRRIBRBU-UONOGXRCSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000271791518 209220288 /nfs/dbraw/zinc/22/02/88/209220288.db2.gz WSQWNSIKWDZNRM-DZGCQCFKSA-N 1 0 320.389 3.240 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000271780267 209207563 /nfs/dbraw/zinc/20/75/63/209207563.db2.gz DNUAOEWSWTVPEW-YUELXQCFSA-N 1 0 322.792 3.295 20 5 DGBDRO Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1C[NH+](C)C ZINC000458263262 243012144 /nfs/dbraw/zinc/01/21/44/243012144.db2.gz AYSQETCELNYBIW-UHFFFAOYSA-N 1 0 319.386 3.279 20 5 DGBDRO O=[N+]([O-])c1ccc(CN(Cc2cnc(C3CC3)nc2)C2CC2)cc1 ZINC000459305842 243325252 /nfs/dbraw/zinc/32/52/52/243325252.db2.gz QVZCVKAVPYJEOC-UHFFFAOYSA-N 1 0 324.384 3.427 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000459605185 243430305 /nfs/dbraw/zinc/43/03/05/243430305.db2.gz CSRKFYMGKRKUIR-DYVFJYSZSA-N 1 0 319.405 3.400 20 5 DGBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459620351 243434810 /nfs/dbraw/zinc/43/48/10/243434810.db2.gz VXEKUUSRQIMAKT-CXAGYDPISA-N 1 0 319.405 3.116 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](CO)CC1CCCC1 ZINC000466418509 243917992 /nfs/dbraw/zinc/91/79/92/243917992.db2.gz YIJKYFNJBVSMJW-DXWDOBMASA-N 1 0 318.417 3.386 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1O ZINC000190062689 432118700 /nfs/dbraw/zinc/11/87/00/432118700.db2.gz XEXMEHOSGSGYLB-WBMJQRKESA-N 1 0 316.357 3.058 20 5 DGBDRO CC[C@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000467558497 244001730 /nfs/dbraw/zinc/00/17/30/244001730.db2.gz BPDWZCWRZRFQPY-SHRNQRGKSA-N 1 0 304.390 3.499 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000468005273 244014753 /nfs/dbraw/zinc/01/47/53/244014753.db2.gz OOSUJWFICNVHJZ-INIZCTEOSA-N 1 0 312.369 3.121 20 5 DGBDRO CCC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000470175907 244153904 /nfs/dbraw/zinc/15/39/04/244153904.db2.gz TVCIKRKJFPKXFA-GXDHUFHOSA-N 1 0 306.406 3.481 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(O)(CC)CC ZINC000471806377 244249782 /nfs/dbraw/zinc/24/97/82/244249782.db2.gz XWVKSNATMIOHIU-UHFFFAOYSA-N 1 0 310.394 3.024 20 5 DGBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471813653 244252246 /nfs/dbraw/zinc/25/22/46/244252246.db2.gz ZVXUGUKFNNBXFA-VXGBXAGGSA-N 1 0 318.398 3.278 20 5 DGBDRO CC(C)c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000093482742 193258044 /nfs/dbraw/zinc/25/80/44/193258044.db2.gz GFBNFFRROAJBOA-HIFRSBDPSA-N 1 0 306.406 3.454 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093742000 193297961 /nfs/dbraw/zinc/29/79/61/193297961.db2.gz VKMRFIZLRIGSPS-IQIBNGDESA-N 1 0 317.433 3.272 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1(C)C ZINC000484292985 244891023 /nfs/dbraw/zinc/89/10/23/244891023.db2.gz PUNOALRHGRQONB-DJIMGWMZSA-N 1 0 318.417 3.319 20 5 DGBDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000122128247 284213617 /nfs/dbraw/zinc/21/36/17/284213617.db2.gz ZWVFMIGQIWQTHL-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C ZINC000488062780 245140564 /nfs/dbraw/zinc/14/05/64/245140564.db2.gz OTCVHTXPPZYQFR-UKRRQHHQSA-N 1 0 322.405 3.240 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCSCC3)o2)cc1 ZINC000126184907 284296916 /nfs/dbraw/zinc/29/69/16/284296916.db2.gz UREQGNJJNCZKQV-UHFFFAOYSA-N 1 0 304.371 3.404 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(Cl)n1 ZINC000282524851 217062007 /nfs/dbraw/zinc/06/20/07/217062007.db2.gz UJDQEXMXYXDLJG-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO CC(C)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000282739417 217215476 /nfs/dbraw/zinc/21/54/76/217215476.db2.gz RNIKZUXJHWUOTN-UHFFFAOYSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[N@@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000266131119 205123668 /nfs/dbraw/zinc/12/36/68/205123668.db2.gz DBKNDJGVXUIIET-XHDPSFHLSA-N 1 0 311.813 3.068 20 5 DGBDRO COc1cc(NC[C@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000266159104 205146494 /nfs/dbraw/zinc/14/64/94/205146494.db2.gz WAUCFMXYVRSCLT-CYBMUJFWSA-N 1 0 321.402 3.380 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1ccccc1 ZINC000288537483 220215566 /nfs/dbraw/zinc/21/55/66/220215566.db2.gz KPYFBQVRKHXTSO-BDJLRTHQSA-N 1 0 320.776 3.460 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCCSC2)c1 ZINC000288571150 220245830 /nfs/dbraw/zinc/24/58/30/220245830.db2.gz ZSDOVVAXNSPMSA-SNVBAGLBSA-N 1 0 300.811 3.481 20 5 DGBDRO CCOC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494497130 246156120 /nfs/dbraw/zinc/15/61/20/246156120.db2.gz QTMXWXYRYMPABK-VIFPVBQESA-N 1 0 306.284 3.128 20 5 DGBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000494524038 246158421 /nfs/dbraw/zinc/15/84/21/246158421.db2.gz KMPYARPWOFINAP-CYBMUJFWSA-N 1 0 320.311 3.374 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494657014 246177287 /nfs/dbraw/zinc/17/72/87/246177287.db2.gz YBDNAIJNYXDHLG-INIZCTEOSA-N 1 0 304.390 3.294 20 5 DGBDRO C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000190321930 432143779 /nfs/dbraw/zinc/14/37/79/432143779.db2.gz IVDHVOXGSDUDAT-ZDUSSCGKSA-N 1 0 320.389 3.179 20 5 DGBDRO Cc1nccn1CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268893960 432147220 /nfs/dbraw/zinc/14/72/20/432147220.db2.gz VFXVHLLLEVGEBK-ZDUSSCGKSA-N 1 0 302.378 3.149 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCN(C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000268886202 432147296 /nfs/dbraw/zinc/14/72/96/432147296.db2.gz ILNVCUKXFSWFLD-NSHDSACASA-N 1 0 319.327 3.048 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284924342 218236395 /nfs/dbraw/zinc/23/63/95/218236395.db2.gz GPJSJSHQFOUPGI-LJIZSIIESA-N 1 0 302.374 3.251 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284924348 218237405 /nfs/dbraw/zinc/23/74/05/218237405.db2.gz GPJSJSHQFOUPGI-UCLCUNAYSA-N 1 0 302.374 3.251 20 5 DGBDRO C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284946852 218245984 /nfs/dbraw/zinc/24/59/84/218245984.db2.gz FALCTHQPUQPVHK-OCCSQVGLSA-N 1 0 307.394 3.177 20 5 DGBDRO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285081856 218283079 /nfs/dbraw/zinc/28/30/79/218283079.db2.gz JOTLQDLFKABCJD-LBPRGKRZSA-N 1 0 314.389 3.094 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000285107055 218292667 /nfs/dbraw/zinc/29/26/67/218292667.db2.gz KOMKAWHWMKUJTO-SNVBAGLBSA-N 1 0 309.753 3.438 20 5 DGBDRO CCn1cc(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000285262415 218357884 /nfs/dbraw/zinc/35/78/84/218357884.db2.gz ZRVQNYZTCUBRKO-UHFFFAOYSA-N 1 0 314.389 3.018 20 5 DGBDRO CC(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245552474 284823642 /nfs/dbraw/zinc/82/36/42/284823642.db2.gz PSDWTIJVJIESRF-USXIJHARSA-N 1 0 320.433 3.303 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1ccco1 ZINC000268869590 207039241 /nfs/dbraw/zinc/03/92/41/207039241.db2.gz HFUICPHBGVMEQB-SUMWQHHRSA-N 1 0 318.373 3.006 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000268873501 207042175 /nfs/dbraw/zinc/04/21/75/207042175.db2.gz LAGIIFNCQPFTHA-GOEBONIOSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCNc2ccccn2)cccc1[N+](=O)[O-] ZINC000268956827 207121354 /nfs/dbraw/zinc/12/13/54/207121354.db2.gz DQTAWDKJBRNLIG-ZDUSSCGKSA-N 1 0 300.362 3.061 20 5 DGBDRO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000268993403 207148560 /nfs/dbraw/zinc/14/85/60/207148560.db2.gz GXKLGAKYADFGRN-SJORKVTESA-N 1 0 300.358 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c[nH]nc2-c2ccccc2)cc1 ZINC000058093302 184074522 /nfs/dbraw/zinc/07/45/22/184074522.db2.gz OYSFUFDXHXUVMT-UHFFFAOYSA-N 1 0 322.368 3.317 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000269007237 207159976 /nfs/dbraw/zinc/15/99/76/207159976.db2.gz LJMNUDUMIBCMRZ-NHYWBVRUSA-N 1 0 306.387 3.349 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000269023038 207173266 /nfs/dbraw/zinc/17/32/66/207173266.db2.gz QMFFRETUJVDMDC-BBRMVZONSA-N 1 0 300.358 3.287 20 5 DGBDRO C[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000062071138 184204455 /nfs/dbraw/zinc/20/44/55/184204455.db2.gz MMIUMHSDEJBRJP-LBPRGKRZSA-N 1 0 311.813 3.070 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000247052813 284940441 /nfs/dbraw/zinc/94/04/41/284940441.db2.gz MFZRFTSLUOFRTJ-IAOVAPTHSA-N 1 0 306.406 3.495 20 5 DGBDRO COc1ccc(OCC[N@H+](C)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000441241792 533013910 /nfs/dbraw/zinc/01/39/10/533013910.db2.gz ZDJXJYCNCPVKHN-UHFFFAOYSA-N 1 0 322.405 3.494 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1CO ZINC000249100713 285055643 /nfs/dbraw/zinc/05/56/43/285055643.db2.gz PLCXXMGRVNPCOJ-WBMJQRKESA-N 1 0 316.357 3.058 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000336865965 253013586 /nfs/dbraw/zinc/01/35/86/253013586.db2.gz VMFYQSIEAGRYCB-HOTGVXAUSA-N 1 0 304.390 3.341 20 5 DGBDRO COc1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)c(F)cc1[N+](=O)[O-] ZINC000433792112 533035075 /nfs/dbraw/zinc/03/50/75/533035075.db2.gz GQIFMOJVMFKNMJ-GFCCVEGCSA-N 1 0 323.368 3.171 20 5 DGBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000337310880 253083314 /nfs/dbraw/zinc/08/33/14/253083314.db2.gz BPTXONYMVOPJRJ-CYBMUJFWSA-N 1 0 319.405 3.291 20 5 DGBDRO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC1CC1 ZINC000337310230 253083721 /nfs/dbraw/zinc/08/37/21/253083721.db2.gz ALWBJKLHQFMZLQ-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO C[C@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000120159842 195109664 /nfs/dbraw/zinc/10/96/64/195109664.db2.gz YCOJWODVMVKUOU-INIZCTEOSA-N 1 0 302.330 3.123 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337256269 253071436 /nfs/dbraw/zinc/07/14/36/253071436.db2.gz SFXVDVBCUTZPCG-KGLIPLIRSA-N 1 0 319.405 3.434 20 5 DGBDRO C[C@H]([NH2+]CCc1c[nH]c2ncccc12)c1ccc([N+](=O)[O-])cc1 ZINC000337655107 253155080 /nfs/dbraw/zinc/15/50/80/253155080.db2.gz DVSOUKVKHGCPNB-LBPRGKRZSA-N 1 0 310.357 3.364 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1ccnc1C ZINC000337948382 253198533 /nfs/dbraw/zinc/19/85/33/253198533.db2.gz DQXORHROVULMBB-SDNWHVSQSA-N 1 0 314.389 3.183 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157313023 285113123 /nfs/dbraw/zinc/11/31/23/285113123.db2.gz MVGKIWIHSPSMKP-INIZCTEOSA-N 1 0 303.406 3.045 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000288669257 220336119 /nfs/dbraw/zinc/33/61/19/220336119.db2.gz WHRVCSKIOTZYJU-GUYCJALGSA-N 1 0 300.358 3.115 20 5 DGBDRO CC(C)CO[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255069066 285126059 /nfs/dbraw/zinc/12/60/59/285126059.db2.gz VASZFHLIXZYZDH-GMNBZTITSA-N 1 0 304.390 3.355 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000340446547 253623735 /nfs/dbraw/zinc/62/37/35/253623735.db2.gz NOKXMDHMIQZKJX-NHYWBVRUSA-N 1 0 301.346 3.497 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCc3cn[nH]c31)CCC2 ZINC000278639235 285145748 /nfs/dbraw/zinc/14/57/48/285145748.db2.gz HJWGVRKQMMOZIQ-CVEARBPZSA-N 1 0 312.373 3.363 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000414485410 285159781 /nfs/dbraw/zinc/15/97/81/285159781.db2.gz LHERCCXUAIXWMI-UXYGNLPZSA-N 1 0 324.380 3.416 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCCO1)C1CC1 ZINC000156388347 285161426 /nfs/dbraw/zinc/16/14/26/285161426.db2.gz PDKFIAJEQPIITC-HZPDHXFCSA-N 1 0 304.390 3.075 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000183346247 285161451 /nfs/dbraw/zinc/16/14/51/285161451.db2.gz TXKSXGMOZVQGGA-USXIJHARSA-N 1 0 318.417 3.465 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000157634539 197204106 /nfs/dbraw/zinc/20/41/06/197204106.db2.gz KXKGIDZDCBUNPZ-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCCS2)n1 ZINC000447599562 285168547 /nfs/dbraw/zinc/16/85/47/285168547.db2.gz KJQNCGJDVYAOTF-MELADBBJSA-N 1 0 324.450 3.150 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343678205 254176708 /nfs/dbraw/zinc/17/67/08/254176708.db2.gz COQBDVUROZYMMC-QWHCGFSZSA-N 1 0 307.394 3.290 20 5 DGBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000344028227 254215643 /nfs/dbraw/zinc/21/56/43/254215643.db2.gz MNCWXDGWZNHBGY-ZDUSSCGKSA-N 1 0 319.405 3.291 20 5 DGBDRO CC[C@@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344243657 254244962 /nfs/dbraw/zinc/24/49/62/254244962.db2.gz VNJYBQFEEAPNRJ-KRWDZBQOSA-N 1 0 319.405 3.354 20 5 DGBDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000344311122 254254457 /nfs/dbraw/zinc/25/44/57/254254457.db2.gz WGYJOEJEDQSFDD-CYBMUJFWSA-N 1 0 322.336 3.064 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1O ZINC000344359987 254261681 /nfs/dbraw/zinc/26/16/81/254261681.db2.gz NMMYLVNKDNJOMH-OUCADQQQSA-N 1 0 320.389 3.367 20 5 DGBDRO CC1(C)C[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000344409344 254267571 /nfs/dbraw/zinc/26/75/71/254267571.db2.gz MRGJLENOPDZKQV-SNVBAGLBSA-N 1 0 300.305 3.332 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)cn1 ZINC000344411292 254267678 /nfs/dbraw/zinc/26/76/78/254267678.db2.gz CEAGWBXFAWBIJD-INIZCTEOSA-N 1 0 312.373 3.239 20 5 DGBDRO Cn1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000344599319 254286738 /nfs/dbraw/zinc/28/67/38/254286738.db2.gz DRTCZJSXIPLDMN-UHFFFAOYSA-N 1 0 311.341 3.483 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)Cn1ccnc1 ZINC000344816335 254308139 /nfs/dbraw/zinc/30/81/39/254308139.db2.gz CRMVOYCONJLYTM-NHXNDTTKSA-N 1 0 314.389 3.121 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CO)CCCC1 ZINC000344836014 254309131 /nfs/dbraw/zinc/30/91/31/254309131.db2.gz RGHMFAGDWJIXGM-ZROIWOOFSA-N 1 0 304.390 3.140 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nccs1 ZINC000344844844 254310204 /nfs/dbraw/zinc/31/02/04/254310204.db2.gz CQQRNKLFSMCPGC-FMIVXFBMSA-N 1 0 303.387 3.287 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1c(C)noc1C ZINC000344889989 254314022 /nfs/dbraw/zinc/31/40/22/254314022.db2.gz ZVQGBJWMSDGRME-XFXZXTDPSA-N 1 0 315.373 3.435 20 5 DGBDRO CC(C)n1cc2c(n1)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000345013546 254323445 /nfs/dbraw/zinc/32/34/45/254323445.db2.gz BSMIMBHFUXHGNT-OAHLLOKOSA-N 1 0 314.389 3.019 20 5 DGBDRO COC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000156734887 197136676 /nfs/dbraw/zinc/13/66/76/197136676.db2.gz QXZXINQCGYFOJX-ZFWWWQNUSA-N 1 0 318.373 3.486 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000287323684 285240203 /nfs/dbraw/zinc/24/02/03/285240203.db2.gz FPXXWLIIOWNELR-SQWLQELKSA-N 1 0 306.406 3.178 20 5 DGBDRO CC[C@@H]([NH2+]CCOc1ncccc1F)c1cccc([N+](=O)[O-])c1 ZINC000271577033 209027321 /nfs/dbraw/zinc/02/73/21/209027321.db2.gz ZUMCPPMZVQERGT-OAHLLOKOSA-N 1 0 319.336 3.249 20 5 DGBDRO CC[C@H]([NH2+]CCOc1ncccc1F)c1cccc([N+](=O)[O-])c1 ZINC000271577031 209027392 /nfs/dbraw/zinc/02/73/92/209027392.db2.gz ZUMCPPMZVQERGT-HNNXBMFYSA-N 1 0 319.336 3.249 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ncccc2F)cc1[N+](=O)[O-] ZINC000271576891 209027894 /nfs/dbraw/zinc/02/78/94/209027894.db2.gz ZRKPLDKSPIYRNE-GFCCVEGCSA-N 1 0 319.336 3.167 20 5 DGBDRO C[C@H](CO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000289496875 221018769 /nfs/dbraw/zinc/01/87/69/221018769.db2.gz SJGIWMPVCGOUTA-SNVBAGLBSA-N 1 0 324.764 3.321 20 5 DGBDRO CCOc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000322350389 285306620 /nfs/dbraw/zinc/30/66/20/285306620.db2.gz FEOGVHXPGZVMPD-AGUYFDCRSA-N 1 0 305.378 3.031 20 5 DGBDRO Cc1c(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289640689 221122502 /nfs/dbraw/zinc/12/25/02/221122502.db2.gz FPSCPIVXNWOSHF-CVEARBPZSA-N 1 0 304.390 3.293 20 5 DGBDRO COc1cncc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000289962938 221345279 /nfs/dbraw/zinc/34/52/79/221345279.db2.gz PUBSDQCEQOFNDZ-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO CCC[C@]1(CO)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000289991102 221365075 /nfs/dbraw/zinc/36/50/75/221365075.db2.gz CHTCKSXWWXSLDA-UABRLCRWSA-N 1 0 304.390 3.093 20 5 DGBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000294997364 224367623 /nfs/dbraw/zinc/36/76/23/224367623.db2.gz ZNRZMAFNCHRBRV-KBPBESRZSA-N 1 0 316.405 3.483 20 5 DGBDRO CCOc1cc(C[N@H+]([C@@H](C)CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000347156484 285335705 /nfs/dbraw/zinc/33/57/05/285335705.db2.gz CPSMKLJMYCVWPY-ZDUSSCGKSA-N 1 0 322.405 3.119 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000470183039 533382730 /nfs/dbraw/zinc/38/27/30/533382730.db2.gz OXPAOKPWAPDTQT-ZMTKHRCCSA-N 1 0 304.390 3.233 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000470180083 533383656 /nfs/dbraw/zinc/38/36/56/533383656.db2.gz HSSCUVDDSAZDOK-XVAUXJJVSA-N 1 0 315.417 3.167 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)CC(C)(C)C ZINC000468624012 533384057 /nfs/dbraw/zinc/38/40/57/533384057.db2.gz ZMLRHBUSXRYSDO-LPDYGMJQSA-N 1 0 306.406 3.385 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424321200 533445475 /nfs/dbraw/zinc/44/54/75/533445475.db2.gz HCIHIBDIJPDCFD-KNXALSJPSA-N 1 0 317.389 3.090 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000470178860 533406474 /nfs/dbraw/zinc/40/64/74/533406474.db2.gz OXLCCDNSOMTEFU-SCZPIIQISA-N 1 0 316.401 3.499 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449574756 533410034 /nfs/dbraw/zinc/41/00/34/533410034.db2.gz VZFSAVOXGBCBOA-RRDVCTQDSA-N 1 0 312.373 3.490 20 5 DGBDRO COc1cccc(NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000296013240 533616217 /nfs/dbraw/zinc/61/62/17/533616217.db2.gz NQEDEIAKVQABKM-UHFFFAOYSA-N 1 0 305.378 3.032 20 5 DGBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000272551676 130040163 /nfs/dbraw/zinc/04/01/63/130040163.db2.gz KRSZQASGGSRDDI-UKRRQHHQSA-N 1 0 323.392 3.149 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC23CCC(CC2)C3)n1 ZINC000447574085 296518378 /nfs/dbraw/zinc/51/83/78/296518378.db2.gz LENRWMDASVMQNW-KRIMKBQASA-N 1 0 318.421 3.445 20 5 DGBDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595043232 400087375 /nfs/dbraw/zinc/08/73/75/400087375.db2.gz VHYGAFPTALBUQV-MQIPJXDCSA-N 1 0 310.394 3.315 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000595048221 400088017 /nfs/dbraw/zinc/08/80/17/400088017.db2.gz WIFJIMABIYGXSJ-NILFDRSVSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000595052914 400090145 /nfs/dbraw/zinc/09/01/45/400090145.db2.gz STIWSLKVTZQHRD-JKDFXYPNSA-N 1 0 322.405 3.458 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000595068393 400097027 /nfs/dbraw/zinc/09/70/27/400097027.db2.gz OKSWXNDEVNWUIW-LRDDRELGSA-N 1 0 304.390 3.113 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000595067381 400097128 /nfs/dbraw/zinc/09/71/28/400097128.db2.gz HGEHRBLSUUFAEC-WSFJGHHXSA-N 1 0 324.446 3.244 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCC2CCC2)n1 ZINC000595078754 400100382 /nfs/dbraw/zinc/10/03/82/400100382.db2.gz AQWBZFNZNXTZBE-HUUCEWRRSA-N 1 0 306.410 3.445 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000595088565 400101591 /nfs/dbraw/zinc/10/15/91/400101591.db2.gz JQMGIVPDMKKRQQ-TZMCWYRMSA-N 1 0 322.405 3.053 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC(C)(C)F ZINC000595088514 400101659 /nfs/dbraw/zinc/10/16/59/400101659.db2.gz RZHSEWDRLHAFNU-NSHDSACASA-N 1 0 311.357 3.040 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](CO)CC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000595087759 400101669 /nfs/dbraw/zinc/10/16/69/400101669.db2.gz CUCMAUXMIJYPBZ-SUMWQHHRSA-N 1 0 318.417 3.315 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](OC)C1CCCC1 ZINC000595093342 400103733 /nfs/dbraw/zinc/10/37/33/400103733.db2.gz AAPMRJQKHIURLI-SJCJKPOMSA-N 1 0 322.405 3.459 20 5 DGBDRO CCCN1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097568 400105474 /nfs/dbraw/zinc/10/54/74/400105474.db2.gz XQISLHZLSKMYAQ-RHSMWYFYSA-N 1 0 303.406 3.046 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@]1(C)CC1(C)C ZINC000595106575 400107997 /nfs/dbraw/zinc/10/79/97/400107997.db2.gz VJFWUEHSXJJFAM-MEDUHNTESA-N 1 0 305.378 3.090 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595289900 400118943 /nfs/dbraw/zinc/11/89/43/400118943.db2.gz RFWSIPKSLUAKKM-AWEZNQCLSA-N 1 0 301.346 3.098 20 5 DGBDRO Cc1ccc([C@@H](CNc2cccnc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000608779137 400119183 /nfs/dbraw/zinc/11/91/83/400119183.db2.gz UVXCLLPBTSRDMO-CQSZACIVSA-N 1 0 316.361 3.140 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCOC(C)C ZINC000595030875 400083138 /nfs/dbraw/zinc/08/31/38/400083138.db2.gz BXAYZYDXOXXVRA-CYBMUJFWSA-N 1 0 310.394 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000595033478 400084055 /nfs/dbraw/zinc/08/40/55/400084055.db2.gz MBXJLVATRPEGBC-JSGCOSHPSA-N 1 0 308.378 3.213 20 5 DGBDRO COCC1(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000595037081 400084849 /nfs/dbraw/zinc/08/48/49/400084849.db2.gz BEWPFLQKEDZLQT-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CCO)CCCC1 ZINC000595508714 400172047 /nfs/dbraw/zinc/17/20/47/400172047.db2.gz JYBKDEUFYFSLCE-UHFFFAOYSA-N 1 0 322.405 3.167 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000609539870 400173915 /nfs/dbraw/zinc/17/39/15/400173915.db2.gz GEOLYOXLQXPLOQ-AWEZNQCLSA-N 1 0 316.357 3.446 20 5 DGBDRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC000595518454 400175347 /nfs/dbraw/zinc/17/53/47/400175347.db2.gz AIAPRXSCBYBPHF-CYBMUJFWSA-N 1 0 315.348 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+]([C@@H]3CCCC[C@H]3O)C2)cc1 ZINC000595520783 400176240 /nfs/dbraw/zinc/17/62/40/400176240.db2.gz DTGWJVHCJIPKHQ-USXIJHARSA-N 1 0 304.390 3.078 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000609595583 400180429 /nfs/dbraw/zinc/18/04/29/400180429.db2.gz QSYMFEZBUICZAS-CQSZACIVSA-N 1 0 314.389 3.110 20 5 DGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ncccc1[N+](=O)[O-] ZINC000066816174 400121685 /nfs/dbraw/zinc/12/16/85/400121685.db2.gz VPHZXYYKGSZOGP-UHFFFAOYSA-N 1 0 314.389 3.078 20 5 DGBDRO CC1CCC([NH+]2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000609670630 400185826 /nfs/dbraw/zinc/18/58/26/400185826.db2.gz DZAKIPKGVIXAID-UHFFFAOYSA-N 1 0 321.396 3.435 20 5 DGBDRO CC(C)c1ccc(CN[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600678326 400128460 /nfs/dbraw/zinc/12/84/60/400128460.db2.gz IXZPLSIEWBWMQT-INIZCTEOSA-N 1 0 303.406 3.092 20 5 DGBDRO Cc1noc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000595339503 400129973 /nfs/dbraw/zinc/12/99/73/400129973.db2.gz QEMJZZRREVDBJA-TZMCWYRMSA-N 1 0 301.346 3.269 20 5 DGBDRO Cc1cnc(CC[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000595390651 400138330 /nfs/dbraw/zinc/13/83/30/400138330.db2.gz ZNWVJUVQZYILNP-UHFFFAOYSA-N 1 0 309.366 3.173 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000595425059 400145639 /nfs/dbraw/zinc/14/56/39/400145639.db2.gz JZCZKFGIMZRTKW-MRXNPFEDSA-N 1 0 301.321 3.370 20 5 DGBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000012517282 400149458 /nfs/dbraw/zinc/14/94/58/400149458.db2.gz PKGYRHWYSMBRSG-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000595455262 400156518 /nfs/dbraw/zinc/15/65/18/400156518.db2.gz RTOKFPFWIJXDCU-FVQBIDKESA-N 1 0 320.364 3.171 20 5 DGBDRO C[N@H+](CCOCc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000595485745 400165687 /nfs/dbraw/zinc/16/56/87/400165687.db2.gz XLWLTHAOGVAMHM-UHFFFAOYSA-N 1 0 314.385 3.286 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000595489202 400166390 /nfs/dbraw/zinc/16/63/90/400166390.db2.gz QPCPFVNPRADLGZ-ZDUSSCGKSA-N 1 0 301.321 3.118 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505235 400170157 /nfs/dbraw/zinc/17/01/57/400170157.db2.gz QZRXCJJCZSRFLN-MAUKXSAKSA-N 1 0 317.433 3.382 20 5 DGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c2cccnc12)C(C)C ZINC000092641842 400188406 /nfs/dbraw/zinc/18/84/06/400188406.db2.gz PMMJYGXUENMECU-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000595709152 400236953 /nfs/dbraw/zinc/23/69/53/400236953.db2.gz VNOVSINTXCUFHG-XJKSGUPXSA-N 1 0 312.369 3.292 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000595709197 400237819 /nfs/dbraw/zinc/23/78/19/400237819.db2.gz XAKLSPMJLOEDHX-YVEFUNNKSA-N 1 0 312.369 3.421 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH+]2C3CCCC2CCC3)c2c(c1)COCO2 ZINC000610369931 400251860 /nfs/dbraw/zinc/25/18/60/400251860.db2.gz AUXGUUCRJBKBLE-UHFFFAOYSA-N 1 0 318.373 3.368 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000588977586 400252797 /nfs/dbraw/zinc/25/27/97/400252797.db2.gz CSQRDUKJSTVFQA-CQSZACIVSA-N 1 0 320.389 3.104 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)c2ncccc12 ZINC000092652082 400189491 /nfs/dbraw/zinc/18/94/91/400189491.db2.gz IJMMPKLDDJLNML-ZDUSSCGKSA-N 1 0 312.373 3.039 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000026161365 400253758 /nfs/dbraw/zinc/25/37/58/400253758.db2.gz DXBYCEXXRYXORM-BETUJISGSA-N 1 0 319.405 3.210 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595593761 400197630 /nfs/dbraw/zinc/19/76/30/400197630.db2.gz UTUFXFHDCVEAFF-LLVKDONJSA-N 1 0 304.350 3.265 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000601216062 400265155 /nfs/dbraw/zinc/26/51/55/400265155.db2.gz KSFLABBDWAEWQE-UHFFFAOYSA-N 1 0 318.421 3.061 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+]C2(CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000595832216 400274376 /nfs/dbraw/zinc/27/43/76/400274376.db2.gz SXFGMQDSZVTHAU-UHFFFAOYSA-N 1 0 319.405 3.400 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(CC(C)C)CC2)c1 ZINC000595830473 400274570 /nfs/dbraw/zinc/27/45/70/400274570.db2.gz FGXFJIAPUSMWRY-UHFFFAOYSA-N 1 0 306.362 3.050 20 5 DGBDRO CCN(CCC[NH+](CC)CC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000589197091 400275658 /nfs/dbraw/zinc/27/56/58/400275658.db2.gz DWYIUHOWSMWDTO-UHFFFAOYSA-N 1 0 307.438 3.457 20 5 DGBDRO CC(C)CC[NH+]1CCC(CNc2cccnc2[N+](=O)[O-])CC1 ZINC000610573695 400276145 /nfs/dbraw/zinc/27/61/45/400276145.db2.gz RNIPMUFJOFVRIO-UHFFFAOYSA-N 1 0 306.410 3.160 20 5 DGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206613 400277274 /nfs/dbraw/zinc/27/72/74/400277274.db2.gz WYFLZIURQOAQCD-BBRMVZONSA-N 1 0 323.824 3.164 20 5 DGBDRO C[C@@H](C1CC1)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581055 400278344 /nfs/dbraw/zinc/27/83/44/400278344.db2.gz DPPKJXZZARSYNL-JTQLQIEISA-N 1 0 301.346 3.499 20 5 DGBDRO CCC[C@]1(CO)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589210432 400279037 /nfs/dbraw/zinc/27/90/37/400279037.db2.gz CHTCKSXWWXSLDA-WVRJYTFGSA-N 1 0 304.390 3.093 20 5 DGBDRO CCOc1cc(C[NH2+]C2(COC)CCCCC2)ccc1[N+](=O)[O-] ZINC000595907615 400291908 /nfs/dbraw/zinc/29/19/08/400291908.db2.gz CAKWIPDQJYVLGS-UHFFFAOYSA-N 1 0 322.405 3.432 20 5 DGBDRO CCC[N@H+](CC)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000589375053 400293251 /nfs/dbraw/zinc/29/32/51/400293251.db2.gz PCBBHWWWILGMEI-UHFFFAOYSA-N 1 0 322.409 3.011 20 5 DGBDRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000030269489 400323889 /nfs/dbraw/zinc/32/38/89/400323889.db2.gz LXKXCPRHDWBRGL-JTQLQIEISA-N 1 0 313.785 3.307 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000068902410 400298171 /nfs/dbraw/zinc/29/81/71/400298171.db2.gz QJSXHQXHCRGZQQ-UHFFFAOYSA-N 1 0 314.389 3.110 20 5 DGBDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000610788068 400305830 /nfs/dbraw/zinc/30/58/30/400305830.db2.gz SHDGCEKSCHHOTR-QGZVFWFLSA-N 1 0 314.389 3.047 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069078635 400308578 /nfs/dbraw/zinc/30/85/78/400308578.db2.gz WOJRZESFSJJZAJ-INIZCTEOSA-N 1 0 303.406 3.045 20 5 DGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000589605903 400308568 /nfs/dbraw/zinc/30/85/68/400308568.db2.gz DINPGQWJFRSFDS-SNVBAGLBSA-N 1 0 317.336 3.337 20 5 DGBDRO COc1cc(NC[C@@H](C(C)C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596071147 400310208 /nfs/dbraw/zinc/31/02/08/400310208.db2.gz XEXDFEYKKDHKCO-HNNXBMFYSA-N 1 0 307.394 3.136 20 5 DGBDRO O=[N+]([O-])c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1C(F)(F)F ZINC000596091011 400313986 /nfs/dbraw/zinc/31/39/86/400313986.db2.gz DMFAXGLJGLIKBZ-JTQLQIEISA-N 1 0 315.295 3.262 20 5 DGBDRO C[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094077 400315591 /nfs/dbraw/zinc/31/55/91/400315591.db2.gz JFAHHGWXDVSELL-GOEBONIOSA-N 1 0 317.433 3.367 20 5 DGBDRO COc1cc(NCC[N@H+](C)C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596110471 400319888 /nfs/dbraw/zinc/31/98/88/400319888.db2.gz POLPULWQSNTXPO-UHFFFAOYSA-N 1 0 301.774 3.009 20 5 DGBDRO CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000030144620 400320770 /nfs/dbraw/zinc/32/07/70/400320770.db2.gz NKSROAOXXGSGLP-CQSZACIVSA-N 1 0 319.405 3.354 20 5 DGBDRO CC[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000030145384 400321216 /nfs/dbraw/zinc/32/12/16/400321216.db2.gz WGYIFZYOUIFLKR-GFCCVEGCSA-N 1 0 316.361 3.267 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cs1 ZINC000595788280 400259441 /nfs/dbraw/zinc/25/94/41/400259441.db2.gz IFMSHZGVVBFVIC-KBPBESRZSA-N 1 0 310.419 3.437 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CC2(CO)CCCCC2)cccc1[N+](=O)[O-] ZINC000611336235 400379781 /nfs/dbraw/zinc/37/97/81/400379781.db2.gz CLAHBQLHTFJKCN-AWEZNQCLSA-N 1 0 306.406 3.497 20 5 DGBDRO CC(=O)c1ccc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596327036 400381700 /nfs/dbraw/zinc/38/17/00/400381700.db2.gz MJLBWJZPMJKDDR-CYBMUJFWSA-N 1 0 305.378 3.082 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000611350379 400383035 /nfs/dbraw/zinc/38/30/35/400383035.db2.gz KIQHTTVFNFYOFN-SJORKVTESA-N 1 0 318.417 3.276 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596337140 400384544 /nfs/dbraw/zinc/38/45/44/400384544.db2.gz UUGHCQDUWLPZIY-ZDUSSCGKSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1cc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000596146502 400330445 /nfs/dbraw/zinc/33/04/45/400330445.db2.gz CEDVDBSIGMLJNL-CYBMUJFWSA-N 1 0 309.435 3.133 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)CC2CC2)o1 ZINC000611108277 400345929 /nfs/dbraw/zinc/34/59/29/400345929.db2.gz VKCGPXSPYBORST-CYBMUJFWSA-N 1 0 316.357 3.105 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)Cc1cccs1 ZINC000070141242 400351872 /nfs/dbraw/zinc/35/18/72/400351872.db2.gz LHSNMOUUIZKGLF-NSHDSACASA-N 1 0 306.387 3.386 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH+]2CC(Cc3ccc(F)cc3)C2)c1 ZINC000611173152 400353960 /nfs/dbraw/zinc/35/39/60/400353960.db2.gz YQZORHZMGYUANH-UHFFFAOYSA-N 1 0 300.333 3.408 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000611254420 400364946 /nfs/dbraw/zinc/36/49/46/400364946.db2.gz YZPGJMPKCAMALN-UHFFFAOYSA-N 1 0 320.368 3.149 20 5 DGBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611254216 400365400 /nfs/dbraw/zinc/36/54/00/400365400.db2.gz UDAJLSHOURVWII-OCCSQVGLSA-N 1 0 320.389 3.377 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCC1)OCCO2 ZINC000611267343 400369421 /nfs/dbraw/zinc/36/94/21/400369421.db2.gz QHBMCPPPMQUULT-CQSZACIVSA-N 1 0 318.373 3.131 20 5 DGBDRO O=[N+]([O-])c1ccsc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000611413765 400396302 /nfs/dbraw/zinc/39/63/02/400396302.db2.gz SEIHQCLVEAMSFI-WCQYABFASA-N 1 0 307.419 3.109 20 5 DGBDRO COc1cc(NC[C@@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000590568679 400397020 /nfs/dbraw/zinc/39/70/20/400397020.db2.gz KOMUNLUSDCTYAV-AWEZNQCLSA-N 1 0 319.361 3.220 20 5 DGBDRO CC[NH+](CC)CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000590569091 400397110 /nfs/dbraw/zinc/39/71/10/400397110.db2.gz KWXJMHNAIYBDQU-UHFFFAOYSA-N 1 0 305.300 3.367 20 5 DGBDRO C[C@@H](O)CC[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000072714201 400399877 /nfs/dbraw/zinc/39/98/77/400399877.db2.gz XVDWCYOWQJSXDK-CYBMUJFWSA-N 1 0 311.381 3.149 20 5 DGBDRO CC(=O)c1ccc(NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000041620653 400410929 /nfs/dbraw/zinc/41/09/29/400410929.db2.gz OYIVGMMBIZXDBG-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc([N+](=O)[O-])nc1 ZINC000072883581 400412012 /nfs/dbraw/zinc/41/20/12/400412012.db2.gz CBSCSNXKELOHTM-UHFFFAOYSA-N 1 0 314.389 3.444 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000611560198 400421501 /nfs/dbraw/zinc/42/15/01/400421501.db2.gz HFUYNSLTWNJUFZ-BLLLJJGKSA-N 1 0 314.389 3.053 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000590687359 400416449 /nfs/dbraw/zinc/41/64/49/400416449.db2.gz DDJKNHURDHQTDD-AWEZNQCLSA-N 1 0 314.389 3.110 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000611616323 400428922 /nfs/dbraw/zinc/42/89/22/400428922.db2.gz HQEDISGFTARGQL-ZDUSSCGKSA-N 1 0 304.394 3.035 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCCC[NH2+]2)o1 ZINC000591275649 400505284 /nfs/dbraw/zinc/50/52/84/400505284.db2.gz OUWVXTBJHLDAEO-CYBMUJFWSA-N 1 0 315.373 3.087 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCC[NH2+]CC3)o2)cc1 ZINC000591278596 400505893 /nfs/dbraw/zinc/50/58/93/400505893.db2.gz WNCRUGXRBHNXAY-AWEZNQCLSA-N 1 0 315.373 3.087 20 5 DGBDRO CN(C)[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000602587699 400506499 /nfs/dbraw/zinc/50/64/99/400506499.db2.gz RVBLVLOGMHMBEZ-HNNXBMFYSA-N 1 0 319.430 3.091 20 5 DGBDRO C[C@]1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000612203527 400507498 /nfs/dbraw/zinc/50/74/98/400507498.db2.gz BBZLSYWUWZHZQK-QKVQGTQPSA-N 1 0 302.374 3.155 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000596634822 400465508 /nfs/dbraw/zinc/46/55/08/400465508.db2.gz DAQBKCPARHZCPO-UHFFFAOYSA-N 1 0 322.409 3.145 20 5 DGBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000043535869 400471441 /nfs/dbraw/zinc/47/14/41/400471441.db2.gz FBXCTQXZDMWSQJ-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO CCc1ccc([C@H](N[C@H](C)C[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000596655638 400473071 /nfs/dbraw/zinc/47/30/71/400473071.db2.gz ZBZGMZVFFWLOJI-SJKOYZFVSA-N 1 0 317.389 3.037 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(N)c2)cc1[N+](=O)[O-] ZINC000596653058 400473648 /nfs/dbraw/zinc/47/36/48/400473648.db2.gz ZGWLWQSJJOGZCD-LBPRGKRZSA-N 1 0 315.373 3.427 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602503929 400481805 /nfs/dbraw/zinc/48/18/05/400481805.db2.gz PGTHOATYTIUONC-BBRMVZONSA-N 1 0 318.421 3.127 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602503930 400481956 /nfs/dbraw/zinc/48/19/56/400481956.db2.gz PGTHOATYTIUONC-CJNGLKHVSA-N 1 0 318.421 3.127 20 5 DGBDRO CC(C)CC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602504856 400482654 /nfs/dbraw/zinc/48/26/54/400482654.db2.gz MVNBJNCSPCIYNY-AWEZNQCLSA-N 1 0 320.437 3.373 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1CCCCC1 ZINC000043999957 400482791 /nfs/dbraw/zinc/48/27/91/400482791.db2.gz HYZPLFUXJILMNO-ZDUSSCGKSA-N 1 0 319.405 3.434 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CC[N@H+](CC4CC4)C3)c2c1 ZINC000591146216 400493279 /nfs/dbraw/zinc/49/32/79/400493279.db2.gz JTWOXDOHEXBWEP-CQSZACIVSA-N 1 0 312.373 3.039 20 5 DGBDRO CCCC[C@H](COC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602555739 400495259 /nfs/dbraw/zinc/49/52/59/400495259.db2.gz ILKNOYJWXGSNBF-LLVKDONJSA-N 1 0 307.350 3.031 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCSC2)cc1Br ZINC000602560998 400495921 /nfs/dbraw/zinc/49/59/21/400495921.db2.gz BSAVUTSQQIKAGL-ZCFIWIBFSA-N 1 0 323.237 3.014 20 5 DGBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602559607 400496216 /nfs/dbraw/zinc/49/62/16/400496216.db2.gz VHDZOYYZCNODHH-SNVBAGLBSA-N 1 0 307.350 3.029 20 5 DGBDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602557785 400496366 /nfs/dbraw/zinc/49/63/66/400496366.db2.gz IXKKCWDZKNAZSU-VHSXEESVSA-N 1 0 320.311 3.110 20 5 DGBDRO CC1(C)CCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602563894 400497510 /nfs/dbraw/zinc/49/75/10/400497510.db2.gz HPBJVOMPHSEZGD-OAHLLOKOSA-N 1 0 318.421 3.127 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000612133033 400498261 /nfs/dbraw/zinc/49/82/61/400498261.db2.gz UDAGTNFPHCWETN-ZFWWWQNUSA-N 1 0 304.390 3.404 20 5 DGBDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602564092 400498332 /nfs/dbraw/zinc/49/83/32/400498332.db2.gz LJQJAENCQKVEDL-NOZJJQNGSA-N 1 0 320.311 3.110 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000602780338 400572198 /nfs/dbraw/zinc/57/21/98/400572198.db2.gz HGFURHQESMSRQV-TZMCWYRMSA-N 1 0 318.377 3.166 20 5 DGBDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000602629841 400518152 /nfs/dbraw/zinc/51/81/52/400518152.db2.gz JNLYQQDIWXXQMW-NWDGAFQWSA-N 1 0 317.393 3.120 20 5 DGBDRO Cc1cc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000591442809 400526559 /nfs/dbraw/zinc/52/65/59/400526559.db2.gz UNBAVFVKTDCKIG-KGLIPLIRSA-N 1 0 321.396 3.258 20 5 DGBDRO Cc1nocc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000602675306 400535987 /nfs/dbraw/zinc/53/59/87/400535987.db2.gz LXVZVTBZULMCOK-XJKSGUPXSA-N 1 0 315.373 3.392 20 5 DGBDRO CC(C)[C@@H]1[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000602692804 400541069 /nfs/dbraw/zinc/54/10/69/400541069.db2.gz YVABSTRQTCENMH-KRWDZBQOSA-N 1 0 318.417 3.274 20 5 DGBDRO O=C(CC[NH2+]CC1(C2CC2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000591757115 400553855 /nfs/dbraw/zinc/55/38/55/400553855.db2.gz DBWFWENSHFALRC-UHFFFAOYSA-N 1 0 317.389 3.093 20 5 DGBDRO CC(C)c1ccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000597204589 400587639 /nfs/dbraw/zinc/58/76/39/400587639.db2.gz JLHGUKNSOSMHLK-CHWSQXEVSA-N 1 0 306.406 3.167 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(O)(C1CC1)C1CC1 ZINC000597214027 400588974 /nfs/dbraw/zinc/58/89/74/400588974.db2.gz KCYUXWYZTDVCEN-ZDUSSCGKSA-N 1 0 318.417 3.057 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2ccon2)CC1 ZINC000597227576 400592495 /nfs/dbraw/zinc/59/24/95/400592495.db2.gz GRAUBGMHXLSUSV-HWKANZROSA-N 1 0 313.357 3.476 20 5 DGBDRO CC(C)[N@H+](CCCc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000138404155 400598690 /nfs/dbraw/zinc/59/86/90/400598690.db2.gz QUOSFCRUSJLDOE-UHFFFAOYSA-N 1 0 316.405 3.172 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000145086224 400644159 /nfs/dbraw/zinc/64/41/59/400644159.db2.gz JJBANHAYFSGPGQ-UHFFFAOYSA-N 1 0 311.385 3.307 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592397502 400645697 /nfs/dbraw/zinc/64/56/97/400645697.db2.gz MNFLKVAGHNHYJY-IAOVAPTHSA-N 1 0 320.433 3.303 20 5 DGBDRO CC(C)Cn1nccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000592510080 400660638 /nfs/dbraw/zinc/66/06/38/400660638.db2.gz RLJAHHNZXSWZGH-UHFFFAOYSA-N 1 0 316.405 3.122 20 5 DGBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1sccc1[N+](=O)[O-] ZINC000603403229 400682472 /nfs/dbraw/zinc/68/24/72/400682472.db2.gz WAOFCEHISDPSTI-UHFFFAOYSA-N 1 0 320.418 3.010 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000157711666 400720289 /nfs/dbraw/zinc/72/02/89/400720289.db2.gz JVZFLSIZQPVQHG-UKRRQHHQSA-N 1 0 303.406 3.038 20 5 DGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2cccnc2[N+](=O)[O-])C1 ZINC000603860707 400725244 /nfs/dbraw/zinc/72/52/44/400725244.db2.gz UPKJEUUYZVVXMI-KBPBESRZSA-N 1 0 306.410 3.160 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000618984961 400739091 /nfs/dbraw/zinc/73/90/91/400739091.db2.gz OHNGSCLXQMEQEH-IIYDPXPESA-N 1 0 318.417 3.458 20 5 DGBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000162125861 400744049 /nfs/dbraw/zinc/74/40/49/400744049.db2.gz RTEGSBASHQQICH-AWEZNQCLSA-N 1 0 320.389 3.150 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000164690341 400750317 /nfs/dbraw/zinc/75/03/17/400750317.db2.gz DHTGPZBZTDRFRW-GFCCVEGCSA-N 1 0 317.389 3.105 20 5 DGBDRO Cc1c(CN2CCC([NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000052005640 400714081 /nfs/dbraw/zinc/71/40/81/400714081.db2.gz GWKMLKVQAMVZKW-UHFFFAOYSA-N 1 0 317.433 3.354 20 5 DGBDRO CC(=O)c1ccc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000052101368 400717227 /nfs/dbraw/zinc/71/72/27/400717227.db2.gz KYAIHMJIXZXPDF-STQMWFEESA-N 1 0 319.405 3.472 20 5 DGBDRO Cc1cnc(NC[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000078624803 400815561 /nfs/dbraw/zinc/81/55/61/400815561.db2.gz WUFHXLDULOTAQK-HNNXBMFYSA-N 1 0 300.362 3.013 20 5 DGBDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000053132882 400766125 /nfs/dbraw/zinc/76/61/25/400766125.db2.gz ZOIUDYIRUSIHKY-UHFFFAOYSA-N 1 0 314.341 3.346 20 5 DGBDRO CC(C)CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053361027 400777276 /nfs/dbraw/zinc/77/72/76/400777276.db2.gz CSZQBRQEEPRJSC-UHFFFAOYSA-N 1 0 313.785 3.165 20 5 DGBDRO CC(C)CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000053363684 400777429 /nfs/dbraw/zinc/77/74/29/400777429.db2.gz YFKYZOAQPNZADE-UHFFFAOYSA-N 1 0 313.785 3.165 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCC(C)C ZINC000053365394 400777885 /nfs/dbraw/zinc/77/78/85/400777885.db2.gz HDXJUCLANBDKJA-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000053376429 400780056 /nfs/dbraw/zinc/78/00/56/400780056.db2.gz QUBGPKBFJFOZTE-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1cc(N2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000078295228 400784055 /nfs/dbraw/zinc/78/40/55/400784055.db2.gz XHMSIVNERBEDAA-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000604539812 400784718 /nfs/dbraw/zinc/78/47/18/400784718.db2.gz KOCXUCCQDUDOTK-ZDUSSCGKSA-N 1 0 314.389 3.110 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000053583461 400793461 /nfs/dbraw/zinc/79/34/61/400793461.db2.gz MNDKGIUPWCMOBF-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000358151255 285983888 /nfs/dbraw/zinc/98/38/88/285983888.db2.gz CSWXBCJHIAGTJZ-WBMJQRKESA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000078887974 400831311 /nfs/dbraw/zinc/83/13/11/400831311.db2.gz BOJHBFKLISZOSX-UHFFFAOYSA-N 1 0 322.368 3.129 20 5 DGBDRO Cc1cc(NCC[C@@H]2CC2(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000598639269 400848256 /nfs/dbraw/zinc/84/82/56/400848256.db2.gz QHHITZBFLHQXSD-SNVBAGLBSA-N 1 0 307.300 3.331 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000598645975 400848443 /nfs/dbraw/zinc/84/84/43/400848443.db2.gz BCHKGAVRBUTSIS-SECBINFHSA-N 1 0 322.258 3.331 20 5 DGBDRO CC(C)CC[C@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000599068787 400948745 /nfs/dbraw/zinc/94/87/45/400948745.db2.gz PINXHXHCXYNZPN-GDBMZVCRSA-N 1 0 308.422 3.303 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069297 400949057 /nfs/dbraw/zinc/94/90/57/400949057.db2.gz FKLKHOIQPPOHJZ-CABCVRRESA-N 1 0 305.422 3.286 20 5 DGBDRO CN(CCC[NH+](C)C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000182017919 400890813 /nfs/dbraw/zinc/89/08/13/400890813.db2.gz LTGGVWPRQWBEQF-UHFFFAOYSA-N 1 0 321.424 3.412 20 5 DGBDRO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000079723893 400891165 /nfs/dbraw/zinc/89/11/65/400891165.db2.gz ZHWWGPDLJJQUDK-GFCCVEGCSA-N 1 0 302.378 3.397 20 5 DGBDRO CC[C@H](O)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358169087 285988523 /nfs/dbraw/zinc/98/85/23/285988523.db2.gz OWKLFJVEGLNONT-JKSUJKDBSA-N 1 0 306.406 3.057 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCC[C@@H]2CCCF)cc1 ZINC000619753733 400898155 /nfs/dbraw/zinc/89/81/55/400898155.db2.gz HZCPTWGCBLMCLE-CJNGLKHVSA-N 1 0 310.369 3.482 20 5 DGBDRO CO[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[C@@H]1C ZINC000599074242 400952377 /nfs/dbraw/zinc/95/23/77/400952377.db2.gz VFSBHDPHIIDZBZ-XHDPSFHLSA-N 1 0 301.346 3.004 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000594027638 400953428 /nfs/dbraw/zinc/95/34/28/400953428.db2.gz XTTVNEOWOWDBBY-QGZVFWFLSA-N 1 0 320.389 3.007 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000598989644 400922226 /nfs/dbraw/zinc/92/22/26/400922226.db2.gz PDVWEZCKQPZEJQ-SFHVURJKSA-N 1 0 312.369 3.134 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599006278 400925442 /nfs/dbraw/zinc/92/54/42/400925442.db2.gz FXAAWERGIUXWMK-WMLDXEAASA-N 1 0 304.390 3.375 20 5 DGBDRO CN1CCC[C@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000599013953 400927006 /nfs/dbraw/zinc/92/70/06/400927006.db2.gz MSMFOLSPAFITJW-HNNXBMFYSA-N 1 0 315.373 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000599027692 400932313 /nfs/dbraw/zinc/93/23/13/400932313.db2.gz PPLJWRMSWZCBGC-ZDUSSCGKSA-N 1 0 303.387 3.261 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599164736 400982407 /nfs/dbraw/zinc/98/24/07/400982407.db2.gz LGLRFNFFZQBITR-LBPRGKRZSA-N 1 0 310.785 3.072 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+]2C2CCCC2)c(Cl)c1 ZINC000599165837 400982685 /nfs/dbraw/zinc/98/26/85/400982685.db2.gz UIDIOMAXXSNMDN-LLVKDONJSA-N 1 0 310.785 3.072 20 5 DGBDRO COc1cccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599166507 400983408 /nfs/dbraw/zinc/98/34/08/400983408.db2.gz XFIPFZHBUXTHNH-ZDUSSCGKSA-N 1 0 305.378 3.032 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCC23CC3)n1 ZINC000599091261 400956754 /nfs/dbraw/zinc/95/67/54/400956754.db2.gz IYVUDNJULYNLHF-RBSFLKMASA-N 1 0 318.421 3.445 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000599090285 400956999 /nfs/dbraw/zinc/95/69/99/400956999.db2.gz CODMRWQIBPPTJE-BZPMIXESSA-N 1 0 308.378 3.069 20 5 DGBDRO CCC(CC)[NH2+]CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000599098543 400959724 /nfs/dbraw/zinc/95/97/24/400959724.db2.gz WSKKMFUDECBMQV-UHFFFAOYSA-N 1 0 302.378 3.333 20 5 DGBDRO Nc1c(F)c(NC[C@@H]2CC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000599127950 400970440 /nfs/dbraw/zinc/97/04/40/400970440.db2.gz ROHGCSLBCGGHGP-LBPRGKRZSA-N 1 0 322.384 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCn2ccnc21 ZINC000594504920 401084083 /nfs/dbraw/zinc/08/40/83/401084083.db2.gz OKFULBLAEVSUKL-ZDUSSCGKSA-N 1 0 320.780 3.112 20 5 DGBDRO CC(=O)c1ccc(NC[C@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000058610954 401063338 /nfs/dbraw/zinc/06/33/38/401063338.db2.gz HRNAMYDUNULJQT-QGZVFWFLSA-N 1 0 319.405 3.330 20 5 DGBDRO C[C@@H]1C[NH+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1(F)F ZINC000599514247 401064508 /nfs/dbraw/zinc/06/45/08/401064508.db2.gz WBPRAPFLBZQXRJ-VXGBXAGGSA-N 1 0 314.332 3.197 20 5 DGBDRO COc1ccccc1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594490884 401078073 /nfs/dbraw/zinc/07/80/73/401078073.db2.gz UBWBAIFZHPAJJW-INIZCTEOSA-N 1 0 312.369 3.423 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(O)CCCCCC1 ZINC000594494726 401079851 /nfs/dbraw/zinc/07/98/51/401079851.db2.gz DLSFNFLWIAWICI-OAHLLOKOSA-N 1 0 304.390 3.257 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1 ZINC000594496869 401079865 /nfs/dbraw/zinc/07/98/65/401079865.db2.gz XZCKJQMIJNXVBJ-HZPDHXFCSA-N 1 0 304.390 3.377 20 5 DGBDRO CCC(CC)(CC)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000081156718 401035243 /nfs/dbraw/zinc/03/52/43/401035243.db2.gz PMMAGVSIYLTNHS-UHFFFAOYSA-N 1 0 307.394 3.400 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000060089761 401100932 /nfs/dbraw/zinc/10/09/32/401100932.db2.gz MFVGBVBPAKARCZ-CQSZACIVSA-N 1 0 319.405 3.496 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000060089771 401101119 /nfs/dbraw/zinc/10/11/19/401101119.db2.gz QLHVYTAMEFTFGM-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO CCC(CC)[N@H+](CCOC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170631 401112822 /nfs/dbraw/zinc/11/28/22/401112822.db2.gz ZBKXOKMKHMVZEJ-UHFFFAOYSA-N 1 0 321.377 3.373 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(O)CC1 ZINC000358220747 286001171 /nfs/dbraw/zinc/00/11/71/286001171.db2.gz KSDROSOQLFJUIU-IYXRBSQSSA-N 1 0 324.446 3.359 20 5 DGBDRO COc1ccc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599696725 401119957 /nfs/dbraw/zinc/11/99/57/401119957.db2.gz GNJIYKBTWHIKKK-QGZVFWFLSA-N 1 0 313.357 3.239 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594519383 401097722 /nfs/dbraw/zinc/09/77/22/401097722.db2.gz KGDYYXIJOOEUJS-JQFCIGGWSA-N 1 0 303.406 3.262 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599638028 401099336 /nfs/dbraw/zinc/09/93/36/401099336.db2.gz LAQTWYNGOWGCAY-GRDNDAEWSA-N 1 0 304.390 3.059 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[NH+](C(C)C)C(C)C ZINC000595002863 401225375 /nfs/dbraw/zinc/22/53/75/401225375.db2.gz ABILILVXUZWPCW-CQSZACIVSA-N 1 0 323.437 3.373 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000594956136 401206685 /nfs/dbraw/zinc/20/66/85/401206685.db2.gz HJPULEPYGSVIEK-HFQYIWAZSA-N 1 0 317.433 3.461 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594956581 401206715 /nfs/dbraw/zinc/20/67/15/401206715.db2.gz LPFZTRNHZSCSOH-LYASGUKUSA-N 1 0 303.406 3.070 20 5 DGBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCCC1 ZINC000064021376 401226573 /nfs/dbraw/zinc/22/65/73/401226573.db2.gz ONVAOTUYKPFLTB-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000594973654 401216165 /nfs/dbraw/zinc/21/61/65/401216165.db2.gz PCENOKGOVOJJNG-AWEZNQCLSA-N 1 0 318.373 3.351 20 5 DGBDRO Cc1ccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594978687 401217609 /nfs/dbraw/zinc/21/76/09/401217609.db2.gz VKNZFAPZTSMKSP-MRXNPFEDSA-N 1 0 317.433 3.400 20 5 DGBDRO CCC[NH+]1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595004007 401226057 /nfs/dbraw/zinc/22/60/57/401226057.db2.gz MJWNZIADURRBFS-ZDUSSCGKSA-N 1 0 321.421 3.128 20 5 DGBDRO Cn1ncc(C2CC2)c1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000594985695 401219083 /nfs/dbraw/zinc/21/90/83/401219083.db2.gz NBXOLEGNNSEDNL-XQRVVYSFSA-N 1 0 312.373 3.009 20 5 DGBDRO CCCN1CC[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000594991918 401220522 /nfs/dbraw/zinc/22/05/22/401220522.db2.gz NKPZNWNQKZKIIA-HFQYIWAZSA-N 1 0 303.406 3.072 20 5 DGBDRO CC1CCC(O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000087062010 401183487 /nfs/dbraw/zinc/18/34/87/401183487.db2.gz BQTHWKAYSORGJG-UHFFFAOYSA-N 1 0 312.797 3.279 20 5 DGBDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000090521144 401267799 /nfs/dbraw/zinc/26/77/99/401267799.db2.gz UTPWOQSTKYCJLJ-GUYCJALGSA-N 1 0 300.358 3.287 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)C[NH+]1CCCCC1 ZINC000595008961 401229477 /nfs/dbraw/zinc/22/94/77/401229477.db2.gz WTPQWMILVKVRIT-KBPBESRZSA-N 1 0 321.421 3.128 20 5 DGBDRO CCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CCOCC1 ZINC000595010675 401230026 /nfs/dbraw/zinc/23/00/26/401230026.db2.gz DGIGLGFBPGGYFW-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000595018249 401233875 /nfs/dbraw/zinc/23/38/75/401233875.db2.gz MDCGHJSBLWDCEF-SRMUXQRQSA-N 1 0 320.389 3.212 20 5 DGBDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595017551 401233973 /nfs/dbraw/zinc/23/39/73/401233973.db2.gz JHVIDSCFFKGRBZ-XHDPSFHLSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)CC(C)(C)C ZINC000595020880 401235587 /nfs/dbraw/zinc/23/55/87/401235587.db2.gz AXBZUPLXCCNEMP-VXGBXAGGSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1c(C)noc1C ZINC000595021490 401236012 /nfs/dbraw/zinc/23/60/12/401236012.db2.gz YLJGUZXPPHTEQS-SNVBAGLBSA-N 1 0 319.361 3.102 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020054 401236018 /nfs/dbraw/zinc/23/60/18/401236018.db2.gz SMZUWYSXWVMONC-HWWQOWPSSA-N 1 0 310.394 3.051 20 5 DGBDRO CCC(=O)c1ccc(NC[C@H](CC)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000359443135 286309869 /nfs/dbraw/zinc/30/98/69/286309869.db2.gz ARKIXNZUUXAOMI-AWEZNQCLSA-N 1 0 319.405 3.474 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000338631237 286383303 /nfs/dbraw/zinc/38/33/03/286383303.db2.gz BVKNXHGELOGQMO-QGZVFWFLSA-N 1 0 315.373 3.318 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000437540023 286384049 /nfs/dbraw/zinc/38/40/49/286384049.db2.gz ACODTMJATZSJJW-ZBFHGGJFSA-N 1 0 322.430 3.463 20 5 DGBDRO C[C@]1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000359971243 286400070 /nfs/dbraw/zinc/40/00/70/286400070.db2.gz BBZLSYWUWZHZQK-XQTSXYSPSA-N 1 0 302.374 3.155 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451705419 292296381 /nfs/dbraw/zinc/29/63/81/292296381.db2.gz YNEYQYLBTAMGPG-QSJFSLAZSA-N 1 0 318.417 3.447 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000361238233 286631641 /nfs/dbraw/zinc/63/16/41/286631641.db2.gz SRJHOTMTCROPSF-CVEARBPZSA-N 1 0 322.405 3.285 20 5 DGBDRO CCCCOC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362454464 286820528 /nfs/dbraw/zinc/82/05/28/286820528.db2.gz QNXPZIOJHIPEEP-UHFFFAOYSA-N 1 0 322.405 3.255 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000172862483 164674788 /nfs/dbraw/zinc/67/47/88/164674788.db2.gz RWCALBHFXNEFEL-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000187578813 165095822 /nfs/dbraw/zinc/09/58/22/165095822.db2.gz KXWZXCPXHVEPBD-WCQYABFASA-N 1 0 308.378 3.232 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000189687555 165173065 /nfs/dbraw/zinc/17/30/65/165173065.db2.gz ALYXDXKPKPUPKH-CYBMUJFWSA-N 1 0 318.402 3.128 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000192377392 165291011 /nfs/dbraw/zinc/29/10/11/165291011.db2.gz QSHMUKUVDXHRNM-WMZOPIPTSA-N 1 0 312.369 3.462 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000192841219 165308564 /nfs/dbraw/zinc/30/85/64/165308564.db2.gz IZIIMNYYBQEEHQ-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000246970536 165554044 /nfs/dbraw/zinc/55/40/44/165554044.db2.gz RWCALBHFXNEFEL-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO COc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000266183866 165880855 /nfs/dbraw/zinc/88/08/55/165880855.db2.gz AHFQQYLZTTXHPO-AWEZNQCLSA-N 1 0 319.405 3.058 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000488858075 287152627 /nfs/dbraw/zinc/15/26/27/287152627.db2.gz BNWPCMZRELAICQ-AWEZNQCLSA-N 1 0 303.406 3.216 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000269069055 432152644 /nfs/dbraw/zinc/15/26/44/432152644.db2.gz MGYBRBXPVFJLCU-ZLIFDBKOSA-N 1 0 303.406 3.118 20 5 DGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)CCCC2 ZINC000181923099 432150679 /nfs/dbraw/zinc/15/06/79/432150679.db2.gz KMWZLJLDLBOJEP-CYBMUJFWSA-N 1 0 314.389 3.021 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269414149 432170792 /nfs/dbraw/zinc/17/07/92/432170792.db2.gz JWSBEVAVVZJCII-ZFWWWQNUSA-N 1 0 301.390 3.048 20 5 DGBDRO C[C@H]1CC[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000190609587 432174712 /nfs/dbraw/zinc/17/47/12/432174712.db2.gz WOPBIAYCZIXUIY-GUYCJALGSA-N 1 0 320.389 3.006 20 5 DGBDRO C[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269686895 432197094 /nfs/dbraw/zinc/19/70/94/432197094.db2.gz GRWMZTFFLVDPBV-SUMWQHHRSA-N 1 0 300.358 3.321 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000269793696 432209626 /nfs/dbraw/zinc/20/96/26/432209626.db2.gz GYBWZHSSWFWSEZ-MEQKGCOVSA-N 1 0 324.380 3.032 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000247262680 432217406 /nfs/dbraw/zinc/21/74/06/432217406.db2.gz ZHINZWBZWUOYPJ-KWCYVHTRSA-N 1 0 303.406 3.179 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000172584001 432221869 /nfs/dbraw/zinc/22/18/69/432221869.db2.gz MLMPFBAKWLOLHV-UHFFFAOYSA-N 1 0 303.406 3.045 20 5 DGBDRO CC[C@@H]([NH2+]Cc1c[nH]c2nccnc12)c1cccc([N+](=O)[O-])c1 ZINC000290976173 222044118 /nfs/dbraw/zinc/04/41/18/222044118.db2.gz XZYLULTWWIJQHV-CQSZACIVSA-N 1 0 311.345 3.107 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H]1SC ZINC000291388664 222358201 /nfs/dbraw/zinc/35/82/01/222358201.db2.gz CFEIVTOFWPLOOW-YUDUHTQSSA-N 1 0 324.446 3.463 20 5 DGBDRO C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)C[NH+]1CCCC1 ZINC000301140573 229524568 /nfs/dbraw/zinc/52/45/68/229524568.db2.gz FCJLLVWFFGLRMQ-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302004819 230028480 /nfs/dbraw/zinc/02/84/80/230028480.db2.gz KOGSRVADKBXHCA-ZDUSSCGKSA-N 1 0 314.389 3.205 20 5 DGBDRO Cc1cc(NC[C@]2(C)CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302094758 230091113 /nfs/dbraw/zinc/09/11/13/230091113.db2.gz RLIDEKAYNRDBLG-INIZCTEOSA-N 1 0 301.346 3.432 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000412987160 230104116 /nfs/dbraw/zinc/10/41/16/230104116.db2.gz AOQPLDXYKMZGJE-UHFFFAOYSA-N 1 0 314.389 3.134 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413165978 230143748 /nfs/dbraw/zinc/14/37/48/230143748.db2.gz FJJZSZJMUBUPQC-OLZOCXBDSA-N 1 0 314.389 3.428 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413174540 230144802 /nfs/dbraw/zinc/14/48/02/230144802.db2.gz QGDYAYVWFICQFD-UONOGXRCSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c(F)c1 ZINC000413265670 230172407 /nfs/dbraw/zinc/17/24/07/230172407.db2.gz JROHFLKBLQYTAJ-ZDUSSCGKSA-N 1 0 322.384 3.338 20 5 DGBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000302523804 230285218 /nfs/dbraw/zinc/28/52/18/230285218.db2.gz YXMABMHJSVBDFF-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO COc1cc(C[N@H+](C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000346338560 264013444 /nfs/dbraw/zinc/01/34/44/264013444.db2.gz VCHXMKYEBDSFEI-CYBMUJFWSA-N 1 0 320.389 3.400 20 5 DGBDRO CCc1ccc([C@H]([NH2+]C[C@H](C)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346452792 264034878 /nfs/dbraw/zinc/03/48/78/264034878.db2.gz XZQMTUXODGXLGY-YVEFUNNKSA-N 1 0 318.373 3.058 20 5 DGBDRO CCc1ccc([C@@H]([NH2+][C@@H](C)CCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346595748 264060720 /nfs/dbraw/zinc/06/07/20/264060720.db2.gz FYJXXBOCUICBCL-SJCJKPOMSA-N 1 0 318.373 3.200 20 5 DGBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000346651312 264073790 /nfs/dbraw/zinc/07/37/90/264073790.db2.gz HFWHHLJNYMEXIO-CYBMUJFWSA-N 1 0 315.373 3.039 20 5 DGBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000346691479 264080357 /nfs/dbraw/zinc/08/03/57/264080357.db2.gz VZMCLLARNSMUQP-QWHCGFSZSA-N 1 0 315.373 3.037 20 5 DGBDRO C[C@H]([NH2+]CCn1cnc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000346793511 264098806 /nfs/dbraw/zinc/09/88/06/264098806.db2.gz KZEASEMHMJMVPS-ZDUSSCGKSA-N 1 0 310.357 3.295 20 5 DGBDRO CCOC(=O)CC(C)(C)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000346839121 264106410 /nfs/dbraw/zinc/10/64/10/264106410.db2.gz GHGFWFYTPCSGAA-UHFFFAOYSA-N 1 0 322.405 3.396 20 5 DGBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347023849 264142168 /nfs/dbraw/zinc/14/21/68/264142168.db2.gz QDEBIIFYCSWIPP-HNNXBMFYSA-N 1 0 315.373 3.039 20 5 DGBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000347272081 264187267 /nfs/dbraw/zinc/18/72/67/264187267.db2.gz DFNYYMTWQHXSFP-IUODEOHRSA-N 1 0 320.389 3.102 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000347384742 264210978 /nfs/dbraw/zinc/21/09/78/264210978.db2.gz YVICUPCNPIFWQO-RCBBPTIPSA-N 1 0 304.390 3.091 20 5 DGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC(F)(F)CC1 ZINC000347604647 264250069 /nfs/dbraw/zinc/25/00/69/264250069.db2.gz SBVCXQORXLZCBO-UHFFFAOYSA-N 1 0 324.331 3.481 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CNc1c[nH+]ccc1-n1cccn1 ZINC000348143673 264351568 /nfs/dbraw/zinc/35/15/68/264351568.db2.gz QAISJBAGMIMTPO-UTCJRWHESA-N 1 0 321.340 3.301 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC2(CCC2)C1 ZINC000348169101 264356934 /nfs/dbraw/zinc/35/69/34/264356934.db2.gz OSLCLJDOHAMQIU-ZDUSSCGKSA-N 1 0 317.389 3.188 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCSC2)n1 ZINC000348199193 264363525 /nfs/dbraw/zinc/36/35/25/264363525.db2.gz OXEGKDVFXGLSOQ-BFHYXJOUSA-N 1 0 324.450 3.008 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(C)C ZINC000349250655 264503592 /nfs/dbraw/zinc/50/35/92/264503592.db2.gz ZOGNXRNYZUEYQI-TZMCWYRMSA-N 1 0 312.435 3.072 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc(O)cc(F)c1 ZINC000349648332 264536464 /nfs/dbraw/zinc/53/64/64/264536464.db2.gz YWRHMUDUJOCQRJ-UHFFFAOYSA-N 1 0 324.739 3.425 20 5 DGBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000352795098 265171467 /nfs/dbraw/zinc/17/14/67/265171467.db2.gz JIYAPSQPMBZRPZ-AWEZNQCLSA-N 1 0 303.337 3.412 20 5 DGBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921953 265229572 /nfs/dbraw/zinc/22/95/72/265229572.db2.gz MOMPXJLFOHKKFP-FUNVUKJBSA-N 1 0 323.824 3.305 20 5 DGBDRO CCn1cc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cn1 ZINC000353092920 265294283 /nfs/dbraw/zinc/29/42/83/265294283.db2.gz FYPOUIBPIOVDRS-NTUHNPAUSA-N 1 0 300.362 3.004 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000353142990 265316917 /nfs/dbraw/zinc/31/69/17/265316917.db2.gz SANVONVGEIFPKL-WHWKNOJMSA-N 1 0 303.406 3.072 20 5 DGBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353225628 265351970 /nfs/dbraw/zinc/35/19/70/265351970.db2.gz MOSGONITVGTJNG-HYXAFXHYSA-N 1 0 308.341 3.274 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC(C)(C)C1 ZINC000353263131 265367522 /nfs/dbraw/zinc/36/75/22/265367522.db2.gz NCUDPMGPRUNNDN-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCc2cn[nH]c2)c2ccccc2)c1 ZINC000353616244 265486912 /nfs/dbraw/zinc/48/69/12/265486912.db2.gz ZRVXYAKMZGICII-GOSISDBHSA-N 1 0 322.368 3.240 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1CO ZINC000191180267 432230566 /nfs/dbraw/zinc/23/05/66/432230566.db2.gz PLCXXMGRVNPCOJ-BLLLJJGKSA-N 1 0 316.357 3.058 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000355550748 266111329 /nfs/dbraw/zinc/11/13/29/266111329.db2.gz YBKLJFBUNKYKNQ-UHFFFAOYSA-N 1 0 308.426 3.365 20 5 DGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc2cccc(F)c2o1 ZINC000355768021 266177525 /nfs/dbraw/zinc/17/75/25/266177525.db2.gz GDHVKHFIPLJCKQ-SNVBAGLBSA-N 1 0 318.308 3.027 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355871999 266213683 /nfs/dbraw/zinc/21/36/83/266213683.db2.gz HHAQHHQFFXGMHT-UHFFFAOYSA-N 1 0 321.421 3.094 20 5 DGBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCC2)cc1OC(F)F ZINC000356493063 266407115 /nfs/dbraw/zinc/40/71/15/266407115.db2.gz WDFPDDRQJVHKHL-UHFFFAOYSA-N 1 0 315.320 3.094 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191308325 432248308 /nfs/dbraw/zinc/24/83/08/432248308.db2.gz VCQLFFKEYWYJJB-SMDDNHRTSA-N 1 0 305.378 3.090 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2CCC1CC2 ZINC000367567239 271044229 /nfs/dbraw/zinc/04/42/29/271044229.db2.gz XUSHLNKJGUSPAY-UHFFFAOYSA-N 1 0 317.389 3.106 20 5 DGBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000411894722 274086245 /nfs/dbraw/zinc/08/62/45/274086245.db2.gz SLJNPPSVCYIHTD-WBVHZDCISA-N 1 0 316.332 3.136 20 5 DGBDRO C[C@@H](CCO)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000297353783 274209722 /nfs/dbraw/zinc/20/97/22/274209722.db2.gz PGDMQCKMHGMIGX-WBMJQRKESA-N 1 0 306.406 3.315 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)C1CCCCC1 ZINC000449345541 274231438 /nfs/dbraw/zinc/23/14/38/274231438.db2.gz WHIBVSALNCIBAK-WMLDXEAASA-N 1 0 320.433 3.304 20 5 DGBDRO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543764 274280323 /nfs/dbraw/zinc/28/03/23/274280323.db2.gz CQNMWXIVIFNJGI-ZFWWWQNUSA-N 1 0 312.373 3.325 20 5 DGBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339192605 274382707 /nfs/dbraw/zinc/38/27/07/274382707.db2.gz GTBYHDKTYRZPKL-PRHODGIISA-N 1 0 320.336 3.455 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000279056533 274525004 /nfs/dbraw/zinc/52/50/04/274525004.db2.gz KNIROBOXGLITTN-ZBEGNZNMSA-N 1 0 314.389 3.402 20 5 DGBDRO Cc1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000032509964 274792604 /nfs/dbraw/zinc/79/26/04/274792604.db2.gz VKVTUUKUEJOXSQ-UHFFFAOYSA-N 1 0 311.385 3.225 20 5 DGBDRO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000262353415 274948283 /nfs/dbraw/zinc/94/82/83/274948283.db2.gz VKEUZXCXUFHLGZ-GXTWGEPZSA-N 1 0 300.362 3.072 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433162307 275867827 /nfs/dbraw/zinc/86/78/27/275867827.db2.gz LXCGROXKOUJKJN-BBRMVZONSA-N 1 0 304.390 3.476 20 5 DGBDRO CC(C)c1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1[N+](=O)[O-] ZINC000414623852 276047910 /nfs/dbraw/zinc/04/79/10/276047910.db2.gz FLCYYGLVUGVHDI-UHFFFAOYSA-N 1 0 302.334 3.106 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCC1 ZINC000185185835 276122044 /nfs/dbraw/zinc/12/20/44/276122044.db2.gz HQSVWIYOECENMJ-UHFFFAOYSA-N 1 0 323.368 3.327 20 5 DGBDRO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000470863137 429711659 /nfs/dbraw/zinc/71/16/59/429711659.db2.gz RLXRYGGLWQMFCY-HNNXBMFYSA-N 1 0 320.437 3.467 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000277180044 276831952 /nfs/dbraw/zinc/83/19/52/276831952.db2.gz NKJXVIADJYWYJX-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO C[NH2+]CC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000261928652 277265123 /nfs/dbraw/zinc/26/51/23/277265123.db2.gz JCARFAHAODISMB-UHFFFAOYSA-N 1 0 317.311 3.049 20 5 DGBDRO COC(=O)C(C)(C)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429273542 277307441 /nfs/dbraw/zinc/30/74/41/277307441.db2.gz MUZZPWYUVGOGII-UHFFFAOYSA-N 1 0 308.378 3.009 20 5 DGBDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433083982 277660295 /nfs/dbraw/zinc/66/02/95/277660295.db2.gz PRZXFOSBQPIIMH-AXAPSJFSSA-N 1 0 304.390 3.474 20 5 DGBDRO CC[C@H](C[NH+]1CCCC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000616059683 430583162 /nfs/dbraw/zinc/58/31/62/430583162.db2.gz VVVCRTORMNQYMT-CQSZACIVSA-N 1 0 314.389 3.429 20 5 DGBDRO CSC[C@@H](CCO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433274108 278133952 /nfs/dbraw/zinc/13/39/52/278133952.db2.gz MJAWZMPIRINIFI-IAQYHMDHSA-N 1 0 324.446 3.021 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293270841 278273371 /nfs/dbraw/zinc/27/33/71/278273371.db2.gz CILORZMACPLFJM-IINYFYTJSA-N 1 0 301.346 3.498 20 5 DGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302042841 278285898 /nfs/dbraw/zinc/28/58/98/278285898.db2.gz IYSFOTBKYONBNM-QWHCGFSZSA-N 1 0 304.394 3.055 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)C[NH+]1CCCC1 ZINC000301146559 278287630 /nfs/dbraw/zinc/28/76/30/278287630.db2.gz KAFXVPIMEWIYAS-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)c1nccs1 ZINC000449237818 278298475 /nfs/dbraw/zinc/29/84/75/278298475.db2.gz PBEXJXDYMILPMR-RYUDHWBXSA-N 1 0 305.403 3.376 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc([N+](=O)[O-])cc1 ZINC000268798709 278383011 /nfs/dbraw/zinc/38/30/11/278383011.db2.gz GXLITCVFCZWRAM-ABAIWWIYSA-N 1 0 300.362 3.057 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000485718795 278866808 /nfs/dbraw/zinc/86/68/08/278866808.db2.gz SYSCFKGDRDSKMY-OAHLLOKOSA-N 1 0 305.422 3.238 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000281680988 278872400 /nfs/dbraw/zinc/87/24/00/278872400.db2.gz RKQFELRCFQVDNB-XJKSGUPXSA-N 1 0 319.405 3.037 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000322477190 278945880 /nfs/dbraw/zinc/94/58/80/278945880.db2.gz RKQFELRCFQVDNB-CJNGLKHVSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000068838015 431143027 /nfs/dbraw/zinc/14/30/27/431143027.db2.gz OISBOVOVTCCQMX-GFCCVEGCSA-N 1 0 316.361 3.267 20 5 DGBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000111384740 431216114 /nfs/dbraw/zinc/21/61/14/431216114.db2.gz MYOBVOWBCDRGQT-MRXNPFEDSA-N 1 0 304.346 3.105 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296152083 279516191 /nfs/dbraw/zinc/51/61/91/279516191.db2.gz WADMMCVHHAHRAO-NDMJEZRESA-N 1 0 318.295 3.355 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112079811 431247121 /nfs/dbraw/zinc/24/71/21/431247121.db2.gz QOUWHNFPIJASMA-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000071270326 431276333 /nfs/dbraw/zinc/27/63/33/431276333.db2.gz TYCXBAACDCBLKS-NSHDSACASA-N 1 0 306.387 3.386 20 5 DGBDRO C[NH+](C)[C@H](CNc1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000072027257 431326161 /nfs/dbraw/zinc/32/61/61/431326161.db2.gz FGYSIERBLJYSMW-OAHLLOKOSA-N 1 0 303.337 3.449 20 5 DGBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000108918369 279686717 /nfs/dbraw/zinc/68/67/17/279686717.db2.gz ICSLWHHSLDMSCH-RYUDHWBXSA-N 1 0 316.361 3.408 20 5 DGBDRO Cc1ccc(C(=O)NCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000074329143 431413594 /nfs/dbraw/zinc/41/35/94/431413594.db2.gz HZPNXYAQSHEVCF-UHFFFAOYSA-N 1 0 321.421 3.142 20 5 DGBDRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000114241982 431377455 /nfs/dbraw/zinc/37/74/55/431377455.db2.gz DYRNQXZSZGVMGZ-KGLIPLIRSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000009997901 431453754 /nfs/dbraw/zinc/45/37/54/431453754.db2.gz VDZBWUGQGSYJHZ-CHWSQXEVSA-N 1 0 305.378 3.105 20 5 DGBDRO C[C@](O)(C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433116992 280143961 /nfs/dbraw/zinc/14/39/61/280143961.db2.gz MKRRHMVFVSCNRI-WBVHZDCISA-N 1 0 304.390 3.068 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(c2)OCCCO3)cc1 ZINC000077221102 431575634 /nfs/dbraw/zinc/57/56/34/431575634.db2.gz PDNLSYIOFCMHEW-UHFFFAOYSA-N 1 0 314.341 3.046 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178837798 280358887 /nfs/dbraw/zinc/35/88/87/280358887.db2.gz IULBEJXSDAYDLH-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078270880 431653022 /nfs/dbraw/zinc/65/30/22/431653022.db2.gz OXLPQSIUNBVLTJ-SLEUVZQESA-N 1 0 305.378 3.090 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119250672 431666325 /nfs/dbraw/zinc/66/63/25/431666325.db2.gz JDUOLHSWHPRZQP-DZGCQCFKSA-N 1 0 306.406 3.463 20 5 DGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000026469751 431674375 /nfs/dbraw/zinc/67/43/75/431674375.db2.gz OTOKBEQAUUECMH-IUODEOHRSA-N 1 0 320.389 3.472 20 5 DGBDRO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026468018 431676617 /nfs/dbraw/zinc/67/66/17/431676617.db2.gz LGXYSLZWAKHOQK-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H]1CCC[C@@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000026476939 431676726 /nfs/dbraw/zinc/67/67/26/431676726.db2.gz NEHPPDBJGCMINC-XJKSGUPXSA-N 1 0 319.405 3.068 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000119404397 431690152 /nfs/dbraw/zinc/69/01/52/431690152.db2.gz SLEURZTVFYLEDP-AMXDTQDGSA-N 1 0 318.398 3.183 20 5 DGBDRO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000079076566 431716109 /nfs/dbraw/zinc/71/61/09/431716109.db2.gz VSXGXBYEFPYMDQ-UHFFFAOYSA-N 1 0 311.769 3.060 20 5 DGBDRO Cc1cc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000122006878 431808031 /nfs/dbraw/zinc/80/80/31/431808031.db2.gz VAVXUSFUXVTUCW-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO C[NH+](C)C[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000037562595 431847792 /nfs/dbraw/zinc/84/77/92/431847792.db2.gz GPDSERLOHPMMKE-AWEZNQCLSA-N 1 0 305.403 3.049 20 5 DGBDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000123585332 431869348 /nfs/dbraw/zinc/86/93/48/431869348.db2.gz JLUOLWCLGNJULP-OAHLLOKOSA-N 1 0 319.405 3.094 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000123604839 431870117 /nfs/dbraw/zinc/87/01/17/431870117.db2.gz ITXOJXNWGMFFSP-DYVFJYSZSA-N 1 0 300.358 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CSCCS1 ZINC000125183773 431915993 /nfs/dbraw/zinc/91/59/93/431915993.db2.gz LJXCCFAPBDQNEN-NSHDSACASA-N 1 0 318.851 3.186 20 5 DGBDRO COCCN(Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])cc1F ZINC000125244383 431918839 /nfs/dbraw/zinc/91/88/39/431918839.db2.gz BFVJKZHPRPJVDE-UHFFFAOYSA-N 1 0 322.336 3.284 20 5 DGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000125381872 431924181 /nfs/dbraw/zinc/92/41/81/431924181.db2.gz KVGZLWIAFXHABK-QWHCGFSZSA-N 1 0 320.389 3.472 20 5 DGBDRO CC[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089909375 431884440 /nfs/dbraw/zinc/88/44/40/431884440.db2.gz DRYPWNRHZHEBNG-GFCCVEGCSA-N 1 0 301.346 3.482 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000090588408 431892911 /nfs/dbraw/zinc/89/29/11/431892911.db2.gz LAEQZTFOLVKFLH-GXTWGEPZSA-N 1 0 324.421 3.441 20 5 DGBDRO CCC[C@H]([NH2+]Cc1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000090887660 431896924 /nfs/dbraw/zinc/89/69/24/431896924.db2.gz WXVAIIDIRDIVLS-INIZCTEOSA-N 1 0 302.378 3.268 20 5 DGBDRO C[C@H]1OCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1C ZINC000126527800 431952236 /nfs/dbraw/zinc/95/22/36/431952236.db2.gz GWFFJRPURKOFJH-CHWSQXEVSA-N 1 0 316.357 3.464 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1CCN(C(=O)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000126559299 431952878 /nfs/dbraw/zinc/95/28/78/431952878.db2.gz APKLVFDQMQPYLM-ZBFHGGJFSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000053580516 431964375 /nfs/dbraw/zinc/96/43/75/431964375.db2.gz PBCVDUJMMPKPIP-HIFRSBDPSA-N 1 0 312.373 3.237 20 5 DGBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1Br ZINC000054128218 431967401 /nfs/dbraw/zinc/96/74/01/431967401.db2.gz STRHRYSGLZUFKT-UHFFFAOYSA-N 1 0 316.199 3.109 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000447056545 281011239 /nfs/dbraw/zinc/01/12/39/281011239.db2.gz LQXZQZRPFBIKMT-OAHLLOKOSA-N 1 0 303.406 3.358 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC2(C1)CCOCC2 ZINC000272335193 281019396 /nfs/dbraw/zinc/01/93/96/281019396.db2.gz NLIQBIFREWFPTB-CQSZACIVSA-N 1 0 304.390 3.467 20 5 DGBDRO Cc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000057315209 431990925 /nfs/dbraw/zinc/99/09/25/431990925.db2.gz SOFLLBKIURYYPF-UHFFFAOYSA-N 1 0 311.385 3.225 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cccc1[N+](=O)[O-] ZINC000248200218 432275538 /nfs/dbraw/zinc/27/55/38/432275538.db2.gz YLFWRAYTCQLOOV-BJOOFOGMSA-N 1 0 312.369 3.212 20 5 DGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191560885 432278094 /nfs/dbraw/zinc/27/80/94/432278094.db2.gz XHCMJOMMJLYQQT-RHSMWYFYSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CN1CCCCC1 ZINC000151862821 432283918 /nfs/dbraw/zinc/28/39/18/432283918.db2.gz NVRIYCFEOGXOGW-LSDHHAIUSA-N 1 0 305.422 3.428 20 5 DGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCC[C@H]1O ZINC000248405681 432286012 /nfs/dbraw/zinc/28/60/12/432286012.db2.gz ATTWOMBNNJKKNO-IUODEOHRSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000183372827 432286705 /nfs/dbraw/zinc/28/67/05/432286705.db2.gz QKIRXUOYUMWZSJ-QGZVFWFLSA-N 1 0 316.332 3.387 20 5 DGBDRO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000248437279 432290838 /nfs/dbraw/zinc/29/08/38/432290838.db2.gz SLQVKGQSXLXZST-IPYPFGDCSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248568433 432301144 /nfs/dbraw/zinc/30/11/44/432301144.db2.gz PWLXGOGFDHFSRU-RDBSUJKOSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H](CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102424302 431993793 /nfs/dbraw/zinc/99/37/93/431993793.db2.gz WTFYUQZSPGOOIS-NSHDSACASA-N 1 0 306.387 3.041 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000102888244 431999749 /nfs/dbraw/zinc/99/97/49/431999749.db2.gz SIRQHNSIHXJLHX-CJNGLKHVSA-N 1 0 300.358 3.287 20 5 DGBDRO Cc1nccn1CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000270626034 432267367 /nfs/dbraw/zinc/26/73/67/432267367.db2.gz KVPKOQIFVGJHGA-UHFFFAOYSA-N 1 0 316.405 3.400 20 5 DGBDRO COC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000271031108 432319177 /nfs/dbraw/zinc/31/91/77/432319177.db2.gz GSMJIMQVHYZQND-UHFFFAOYSA-N 1 0 316.357 3.466 20 5 DGBDRO CC(C)[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271040347 432320171 /nfs/dbraw/zinc/32/01/71/432320171.db2.gz NJJGPAJZGMYIEJ-UHFFFAOYSA-N 1 0 304.346 3.058 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)CCC2 ZINC000249055898 432335887 /nfs/dbraw/zinc/33/58/87/432335887.db2.gz YQHMBQSDNUWXKG-IAOVAPTHSA-N 1 0 304.390 3.113 20 5 DGBDRO COC[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000271166681 432342715 /nfs/dbraw/zinc/34/27/15/432342715.db2.gz HTWCKKBDDNVNKI-CYBMUJFWSA-N 1 0 316.357 3.323 20 5 DGBDRO CC[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174810514 432373410 /nfs/dbraw/zinc/37/34/10/432373410.db2.gz WNHSCEBZTIWRTH-CQSZACIVSA-N 1 0 302.378 3.092 20 5 DGBDRO Cc1cccc(C2([NH2+]CCn3cc([N+](=O)[O-])cn3)CCCC2)c1 ZINC000174846200 432374169 /nfs/dbraw/zinc/37/41/69/432374169.db2.gz JRUSMVWUKADEKM-UHFFFAOYSA-N 1 0 314.389 3.159 20 5 DGBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174877557 432376281 /nfs/dbraw/zinc/37/62/81/432376281.db2.gz KYKZBSOCCZSXPB-MRXNPFEDSA-N 1 0 316.405 3.053 20 5 DGBDRO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192606019 432392129 /nfs/dbraw/zinc/39/21/29/432392129.db2.gz RROXYADSZKFNDO-NVXWUHKLSA-N 1 0 303.406 3.046 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000175102159 432397359 /nfs/dbraw/zinc/39/73/59/432397359.db2.gz GNTQEAPLGWOKKM-RDJZCZTQSA-N 1 0 320.389 3.137 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000153356377 432403322 /nfs/dbraw/zinc/40/33/22/432403322.db2.gz WWCDLYCQHFFUFH-UHFFFAOYSA-N 1 0 304.390 3.233 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)CCC2 ZINC000192954358 432433805 /nfs/dbraw/zinc/43/38/05/432433805.db2.gz RCLUIPRYOGXBMU-JDFRZJQESA-N 1 0 304.390 3.113 20 5 DGBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000261883404 432458285 /nfs/dbraw/zinc/45/82/85/432458285.db2.gz UMYVXJMCCBCXMO-UONOGXRCSA-N 1 0 319.408 3.197 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000271506443 432409685 /nfs/dbraw/zinc/40/96/85/432409685.db2.gz LIVLLMZWKQKHSB-YOEHRIQHSA-N 1 0 322.405 3.287 20 5 DGBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000255429570 432409951 /nfs/dbraw/zinc/40/99/51/432409951.db2.gz DTPVQQPRKLBDJA-XQRVVYSFSA-N 1 0 303.387 3.239 20 5 DGBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000184591936 432410149 /nfs/dbraw/zinc/41/01/49/432410149.db2.gz QYNFHTMFCFCCQC-SMDDNHRTSA-N 1 0 316.361 3.313 20 5 DGBDRO C[NH+](C)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000192764967 432410756 /nfs/dbraw/zinc/41/07/56/432410756.db2.gz FUDKTQXEGHVQCZ-INIZCTEOSA-N 1 0 318.352 3.031 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192800537 432416398 /nfs/dbraw/zinc/41/63/98/432416398.db2.gz NYUNWYDBTGCJJZ-STQMWFEESA-N 1 0 305.378 3.092 20 5 DGBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000184709485 432424261 /nfs/dbraw/zinc/42/42/61/432424261.db2.gz ZDWRLYFLTBXZQS-IUODEOHRSA-N 1 0 319.405 3.142 20 5 DGBDRO CC(C)(CO)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192894263 432424934 /nfs/dbraw/zinc/42/49/34/432424934.db2.gz ZGGLKJZJSUQDJI-MRXNPFEDSA-N 1 0 306.406 3.361 20 5 DGBDRO CCc1nc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cs1 ZINC000184717001 432425503 /nfs/dbraw/zinc/42/55/03/432425503.db2.gz ONJKCHJJVSMIAQ-LLVKDONJSA-N 1 0 321.402 3.343 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCCCO)o1 ZINC000192905414 432427648 /nfs/dbraw/zinc/42/76/48/432427648.db2.gz QBFBDEHVWPBWIR-UHFFFAOYSA-N 1 0 304.346 3.107 20 5 DGBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc2ccccc2c2cccnc12 ZINC000262571228 432490634 /nfs/dbraw/zinc/49/06/34/432490634.db2.gz HIOGKYKJAVAZRE-CQSZACIVSA-N 1 0 319.408 3.117 20 5 DGBDRO COc1cccc2c1CC[N@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000193728895 432495359 /nfs/dbraw/zinc/49/53/59/432495359.db2.gz JSGFBGRKOLYAFW-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[NH2+]C(c2ccccc2)c2ccccc2)n1 ZINC000176190295 432499617 /nfs/dbraw/zinc/49/96/17/432499617.db2.gz QKZLPNXUAOBYSP-UHFFFAOYSA-N 1 0 322.368 3.171 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000153967043 432461521 /nfs/dbraw/zinc/46/15/21/432461521.db2.gz AJTYVSXIQPUGOF-NWDGAFQWSA-N 1 0 318.377 3.139 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000154001418 432461988 /nfs/dbraw/zinc/46/19/88/432461988.db2.gz YBAGHTGZICKGFP-CQSZACIVSA-N 1 0 323.824 3.166 20 5 DGBDRO [NH3+]CC[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000262030280 432469912 /nfs/dbraw/zinc/46/99/12/432469912.db2.gz YRIGWNNYAQJRBX-SNVBAGLBSA-N 1 0 317.311 3.179 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)C[NH2+]1 ZINC000262035940 432469919 /nfs/dbraw/zinc/46/99/19/432469919.db2.gz OPRFTPYYVIHKIX-STQMWFEESA-N 1 0 315.373 3.037 20 5 DGBDRO COc1ccccc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000194414733 432549480 /nfs/dbraw/zinc/54/94/80/432549480.db2.gz ZXOSCCZUVGBAOW-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000185688245 432524030 /nfs/dbraw/zinc/52/40/30/432524030.db2.gz DKYZCMNMGWLTQG-RDTXWAMCSA-N 1 0 313.401 3.376 20 5 DGBDRO COC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000272575533 432526567 /nfs/dbraw/zinc/52/65/67/432526567.db2.gz GDLBKITYWLZKGK-ZDUSSCGKSA-N 1 0 300.786 3.051 20 5 DGBDRO C[NH+]1CCC(C)(CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000272590658 432529900 /nfs/dbraw/zinc/52/99/00/432529900.db2.gz ZWDPEJYULAHRAG-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000194633344 432564589 /nfs/dbraw/zinc/56/45/89/432564589.db2.gz SCZDIJULXXQOEU-MRXNPFEDSA-N 1 0 318.373 3.351 20 5 DGBDRO Cc1cc(N[C@H]2CCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272890583 432536921 /nfs/dbraw/zinc/53/69/21/432536921.db2.gz XUPBDDDBPKZAAE-RYUDHWBXSA-N 1 0 301.346 3.431 20 5 DGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000177307647 432610735 /nfs/dbraw/zinc/61/07/35/432610735.db2.gz IDBCEWPMNCEZAJ-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000263689056 432566652 /nfs/dbraw/zinc/56/66/52/432566652.db2.gz JKPYGYLUNOSGRD-VIFPVBQESA-N 1 0 316.304 3.047 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000186361227 432586516 /nfs/dbraw/zinc/58/65/16/432586516.db2.gz ADJOLOIXZLHCOQ-ZBFHGGJFSA-N 1 0 310.369 3.417 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(CO)CCCC1)C1CC1 ZINC000186485496 432600574 /nfs/dbraw/zinc/60/05/74/432600574.db2.gz XRXHXSIBWHZCPU-INIZCTEOSA-N 1 0 318.417 3.058 20 5 DGBDRO C[C@@H]([N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(C)CC1 ZINC000177252838 432604502 /nfs/dbraw/zinc/60/45/02/432604502.db2.gz ZPXAGDNJGXCOPY-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000264206940 432626723 /nfs/dbraw/zinc/62/67/23/432626723.db2.gz RGLQDIMBVQPFHV-LBPRGKRZSA-N 1 0 301.346 3.134 20 5 DGBDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000177581695 432639016 /nfs/dbraw/zinc/63/90/16/432639016.db2.gz OFLQIMSIJIUVQY-KRWDZBQOSA-N 1 0 318.373 3.496 20 5 DGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274687279 432698365 /nfs/dbraw/zinc/69/83/65/432698365.db2.gz LLWKEEAPGWVSPP-CHWSQXEVSA-N 1 0 321.421 3.247 20 5 DGBDRO CCCC[N@H+](C)CC1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178179415 432702615 /nfs/dbraw/zinc/70/26/15/432702615.db2.gz DUQXOLWOOHJDJP-UHFFFAOYSA-N 1 0 320.437 3.247 20 5 DGBDRO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178077652 432691822 /nfs/dbraw/zinc/69/18/22/432691822.db2.gz GZINCTFALKUITE-AWEZNQCLSA-N 1 0 321.421 3.202 20 5 DGBDRO CC(C)[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236597689 432750095 /nfs/dbraw/zinc/75/00/95/432750095.db2.gz OMCWFOGIRLDFGE-OAHLLOKOSA-N 1 0 320.414 3.430 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)C3CCC3)o2)cc1 ZINC000275919027 432760440 /nfs/dbraw/zinc/76/04/40/432760440.db2.gz GHCLVKODODFRHI-UHFFFAOYSA-N 1 0 316.357 3.202 20 5 DGBDRO CSC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000178659177 432762698 /nfs/dbraw/zinc/76/26/98/432762698.db2.gz KFSWHRZKDBAYNH-GFCCVEGCSA-N 1 0 310.419 3.158 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1O ZINC000189334461 432778176 /nfs/dbraw/zinc/77/81/76/432778176.db2.gz GRWUJOOFTBNLPH-CVEARBPZSA-N 1 0 316.357 3.104 20 5 DGBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000189351234 432779966 /nfs/dbraw/zinc/77/99/66/432779966.db2.gz CXBKTPXMFLPEQV-HOTGVXAUSA-N 1 0 316.357 3.104 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000231389961 432733364 /nfs/dbraw/zinc/73/33/64/432733364.db2.gz PLUNPBDGQULACI-NSHDSACASA-N 1 0 300.786 3.137 20 5 DGBDRO CC(C)(C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178429336 432734788 /nfs/dbraw/zinc/73/47/88/432734788.db2.gz MBNWCDCOPQFYSZ-JKSUJKDBSA-N 1 0 320.433 3.303 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000161492692 432781966 /nfs/dbraw/zinc/78/19/66/432781966.db2.gz BZXKOKDFZCYYGQ-HOCLYGCPSA-N 1 0 314.385 3.330 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161530719 432784836 /nfs/dbraw/zinc/78/48/36/432784836.db2.gz KUGBMJHHYIKNLZ-SJLPKXTDSA-N 1 0 314.385 3.412 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266786977 432788741 /nfs/dbraw/zinc/78/87/41/432788741.db2.gz OKSIEDGBWKWHMA-RHSMWYFYSA-N 1 0 314.385 3.412 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCOC2)o1 ZINC000237956494 432805846 /nfs/dbraw/zinc/80/58/46/432805846.db2.gz CSQYVYHYOOCOKQ-CYBMUJFWSA-N 1 0 316.357 3.371 20 5 DGBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000238008246 432808496 /nfs/dbraw/zinc/80/84/96/432808496.db2.gz FNUBAXVJXBSVQH-KSSFIOAISA-N 1 0 319.408 3.245 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000278449729 432895845 /nfs/dbraw/zinc/89/58/45/432895845.db2.gz LJRPBDPPDHAOOV-DYVFJYSZSA-N 1 0 303.406 3.262 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)C1CC1 ZINC000163315878 432849675 /nfs/dbraw/zinc/84/96/75/432849675.db2.gz CKLSONIVCPCFNU-COXVUDFISA-N 1 0 318.417 3.057 20 5 DGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000268199313 432855030 /nfs/dbraw/zinc/85/50/30/432855030.db2.gz XHCFEOLMPILLCI-BZNIZROVSA-N 1 0 312.373 3.038 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000330657430 432922634 /nfs/dbraw/zinc/92/26/34/432922634.db2.gz OIHQQEUHFMMHGH-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331518150 432946522 /nfs/dbraw/zinc/94/65/22/432946522.db2.gz FRTOJCHOCYJHBQ-BBRMVZONSA-N 1 0 317.389 3.188 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000289346812 432947165 /nfs/dbraw/zinc/94/71/65/432947165.db2.gz FSAVLFOACFXDAT-GFCCVEGCSA-N 1 0 305.334 3.125 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279226526 432947239 /nfs/dbraw/zinc/94/72/39/432947239.db2.gz IQVYTFWBIVTKOO-BXUZGUMPSA-N 1 0 316.361 3.313 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000279252807 432949902 /nfs/dbraw/zinc/94/99/02/432949902.db2.gz LKCGKQMOYIASHT-SMDDNHRTSA-N 1 0 305.378 3.010 20 5 DGBDRO Cc1cccnc1CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296491408 432914110 /nfs/dbraw/zinc/91/41/10/432914110.db2.gz ORFQKVXKARFMQX-CYBMUJFWSA-N 1 0 314.389 3.164 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000289467445 432965050 /nfs/dbraw/zinc/96/50/50/432965050.db2.gz GWAFZGMJKLROHJ-BDAKNGLRSA-N 1 0 319.188 3.416 20 5 DGBDRO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000289467453 432965131 /nfs/dbraw/zinc/96/51/31/432965131.db2.gz GWAFZGMJKLROHJ-DTWKUNHWSA-N 1 0 319.188 3.416 20 5 DGBDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332159291 432978419 /nfs/dbraw/zinc/97/84/19/432978419.db2.gz KIKBSDVKIKMPEV-XHDPSFHLSA-N 1 0 302.378 3.482 20 5 DGBDRO CC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000341169769 432982084 /nfs/dbraw/zinc/98/20/84/432982084.db2.gz ORLQXNLOTAECJK-LBPRGKRZSA-N 1 0 302.334 3.019 20 5 DGBDRO O=C1CCC(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000290112711 432994073 /nfs/dbraw/zinc/99/40/73/432994073.db2.gz SUKHHWJHMFRGIQ-UHFFFAOYSA-N 1 0 302.374 3.319 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000279394364 432964059 /nfs/dbraw/zinc/96/40/59/432964059.db2.gz ZBKSDBFQMPCKAS-RISCZKNCSA-N 1 0 316.361 3.313 20 5 DGBDRO CO[C@@]1(C)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000280146768 433004791 /nfs/dbraw/zinc/00/47/91/433004791.db2.gz DKSSBOFFIAXMLZ-JZLODUJNSA-N 1 0 304.390 3.499 20 5 DGBDRO CCOc1ccc([C@@H](C)N[C@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000349838852 433018322 /nfs/dbraw/zinc/01/83/22/433018322.db2.gz YRSHFOJIUBJSGQ-GHMZBOCLSA-N 1 0 305.334 3.393 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2cnn(CCC[NH+]3CCCCC3)c2)cc1 ZINC000341289620 433018790 /nfs/dbraw/zinc/01/87/90/433018790.db2.gz TULVNJAVIQKOFW-UHFFFAOYSA-N 1 0 314.389 3.334 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[C@H](C)O ZINC000341300173 433021210 /nfs/dbraw/zinc/02/12/10/433021210.db2.gz LCJYGZVLKUYRHS-RWMBFGLXSA-N 1 0 312.435 3.215 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000290276378 433026064 /nfs/dbraw/zinc/02/60/64/433026064.db2.gz WSQNROOQGRIMMP-DOMZBBRYSA-N 1 0 322.405 3.195 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCC[C@@](C)(OC)CC2)ccc1[N+](=O)[O-] ZINC000280501244 433063387 /nfs/dbraw/zinc/06/33/87/433063387.db2.gz MYKKRCJYIFQWAI-QGZVFWFLSA-N 1 0 322.405 3.385 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432315172 289303819 /nfs/dbraw/zinc/30/38/19/289303819.db2.gz YBVXNNKMJIWUTC-CHWSQXEVSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1cnc(NCCCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000361259713 433064573 /nfs/dbraw/zinc/06/45/73/433064573.db2.gz DKBAPPCYCSSXKD-UHFFFAOYSA-N 1 0 306.410 3.366 20 5 DGBDRO CSCC[C@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361275199 433077907 /nfs/dbraw/zinc/07/79/07/433077907.db2.gz VOMDWDKHJVBJFP-JTQLQIEISA-N 1 0 308.407 3.045 20 5 DGBDRO Cc1csc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000453309374 433082507 /nfs/dbraw/zinc/08/25/07/433082507.db2.gz DUIOPCZXUQFHLJ-UONOGXRCSA-N 1 0 320.418 3.435 20 5 DGBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1O ZINC000280593326 433100114 /nfs/dbraw/zinc/10/01/14/433100114.db2.gz XPILNGDDMGDGNX-INIZCTEOSA-N 1 0 316.357 3.058 20 5 DGBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000341491367 433089517 /nfs/dbraw/zinc/08/95/17/433089517.db2.gz UCGYYGCDRSIEKO-VXGBXAGGSA-N 1 0 308.378 3.138 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]2CCCO[C@@H]21 ZINC000350284513 433124247 /nfs/dbraw/zinc/12/42/47/433124247.db2.gz AUVVXMKYFUWYGP-CFVMTHIKSA-N 1 0 308.353 3.027 20 5 DGBDRO C[C@H]([NH3+])[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420232419 433130355 /nfs/dbraw/zinc/13/03/55/433130355.db2.gz LWTJFWUXCMODKQ-JGVFFNPUSA-N 1 0 304.177 3.075 20 5 DGBDRO Cc1nccnc1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000446931620 433131970 /nfs/dbraw/zinc/13/19/70/433131970.db2.gz RERALEHXCQSZNO-ZDUSSCGKSA-N 1 0 314.389 3.367 20 5 DGBDRO [NH3+]CC[C@@H](Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000420275178 433144212 /nfs/dbraw/zinc/14/42/12/433144212.db2.gz ZFUGKHHDRQXGBQ-SSDOTTSWSA-N 1 0 314.119 3.296 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCC[C@@H]1CCOC1)C1CC1 ZINC000453391010 433148741 /nfs/dbraw/zinc/14/87/41/433148741.db2.gz XVKQXHQNOXQZSN-PBHICJAKSA-N 1 0 318.417 3.322 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)[C@H](O)CC)cc1[N+](=O)[O-] ZINC000453339029 433101761 /nfs/dbraw/zinc/10/17/61/433101761.db2.gz BIWJVTMDYKRIRB-NJZAAPMLSA-N 1 0 310.394 3.194 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCOC1)CCC2 ZINC000453350357 433112806 /nfs/dbraw/zinc/11/28/06/433112806.db2.gz GWIXJOWFTDZTQR-DYVFJYSZSA-N 1 0 304.390 3.379 20 5 DGBDRO Cc1cc(NC[C@H]2CCC[NH2+]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420167459 433115609 /nfs/dbraw/zinc/11/56/09/433115609.db2.gz RTMLKGSFCQAALK-SECBINFHSA-N 1 0 303.284 3.086 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453355797 433117255 /nfs/dbraw/zinc/11/72/55/433117255.db2.gz IUFLEEBGWLBVED-PBHICJAKSA-N 1 0 304.390 3.028 20 5 DGBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000447390326 433192983 /nfs/dbraw/zinc/19/29/83/433192983.db2.gz GCEQYONLDJXWPO-KRWDZBQOSA-N 1 0 322.405 3.385 20 5 DGBDRO CC[N@H+](CC1CCC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361481712 433195913 /nfs/dbraw/zinc/19/59/13/433195913.db2.gz PZTYQBJKIGYQHG-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000157775857 292752397 /nfs/dbraw/zinc/75/23/97/292752397.db2.gz IRKGFRUPRYJSAF-HNNXBMFYSA-N 1 0 320.368 3.307 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425361964 433201719 /nfs/dbraw/zinc/20/17/19/433201719.db2.gz YXTLPHZGCPGUDZ-JDZUMMNHSA-N 1 0 315.417 3.024 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000350594632 433218056 /nfs/dbraw/zinc/21/80/56/433218056.db2.gz BIVDAYAAVGPRQF-ZDUSSCGKSA-N 1 0 322.409 3.062 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCC[NH+]1CCCC1 ZINC000337276435 433218319 /nfs/dbraw/zinc/21/83/19/433218319.db2.gz QWPHUWDDTXSDHX-HNNXBMFYSA-N 1 0 305.422 3.382 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000447546469 433222943 /nfs/dbraw/zinc/22/29/43/433222943.db2.gz WBZVJYBEEINEKY-SUYBPPKGSA-N 1 0 303.406 3.045 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC(F)(F)F)CCC2 ZINC000447596448 433238916 /nfs/dbraw/zinc/23/89/16/433238916.db2.gz CKYBLLYMRSPOBT-GFCCVEGCSA-N 1 0 304.268 3.098 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000361558100 433246743 /nfs/dbraw/zinc/24/67/43/433246743.db2.gz GCDDPHIQTCCWPU-UHFFFAOYSA-N 1 0 324.380 3.390 20 5 DGBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc21 ZINC000350732521 433267550 /nfs/dbraw/zinc/26/75/50/433267550.db2.gz PAIMDEWNWXDIBK-KRWDZBQOSA-N 1 0 314.389 3.191 20 5 DGBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000338749068 433319814 /nfs/dbraw/zinc/31/98/14/433319814.db2.gz MUQNTDUWYMQOEE-HNNXBMFYSA-N 1 0 309.797 3.170 20 5 DGBDRO COc1cc(NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447815301 433288773 /nfs/dbraw/zinc/28/87/73/433288773.db2.gz CVIIRMBIAUYAGU-OAHLLOKOSA-N 1 0 307.394 3.136 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447811847 433289352 /nfs/dbraw/zinc/28/93/52/433289352.db2.gz PHHKJRCMJCISRH-INIZCTEOSA-N 1 0 321.421 3.274 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[C@H](C)C1 ZINC000361642194 433308887 /nfs/dbraw/zinc/30/88/87/433308887.db2.gz IBJINMYBMBSUSJ-GXTWGEPZSA-N 1 0 310.369 3.371 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281739328 433366128 /nfs/dbraw/zinc/36/61/28/433366128.db2.gz VKEIKWIXJOILIX-KRWDZBQOSA-N 1 0 315.348 3.412 20 5 DGBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339129966 433376807 /nfs/dbraw/zinc/37/68/07/433376807.db2.gz HIPZORBAIJIDED-INIZCTEOSA-N 1 0 308.378 3.082 20 5 DGBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301132257 433429699 /nfs/dbraw/zinc/42/96/99/433429699.db2.gz WGDLWIXIAHPNHF-SNVBAGLBSA-N 1 0 317.311 3.367 20 5 DGBDRO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000448368421 433398220 /nfs/dbraw/zinc/39/82/20/433398220.db2.gz VSRHOGGBVHLGRG-HNNXBMFYSA-N 1 0 324.446 3.247 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301060248 433399147 /nfs/dbraw/zinc/39/91/47/433399147.db2.gz BVKCZCOTULPVKB-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000301108936 433418263 /nfs/dbraw/zinc/41/82/63/433418263.db2.gz XNUPJNFDADEJPE-HNNXBMFYSA-N 1 0 317.364 3.319 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000292001288 433423390 /nfs/dbraw/zinc/42/33/90/433423390.db2.gz XKEXKNIZADJLLC-UKRRQHHQSA-N 1 0 300.362 3.108 20 5 DGBDRO COc1cccc2c1C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000414173746 433440775 /nfs/dbraw/zinc/44/07/75/433440775.db2.gz GARXZTTXWTVEAE-SWLSCSKDSA-N 1 0 312.369 3.421 20 5 DGBDRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000273257034 290034986 /nfs/dbraw/zinc/03/49/86/290034986.db2.gz HOSYAHPPKBVLQT-SWLSCSKDSA-N 1 0 319.405 3.070 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000355105478 433464413 /nfs/dbraw/zinc/46/44/13/433464413.db2.gz HYWPTTSWAOHYSW-QWHCGFSZSA-N 1 0 322.405 3.480 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285688218 290267615 /nfs/dbraw/zinc/26/76/15/290267615.db2.gz VGSLLGYFOVIAPI-RBSFLKMASA-N 1 0 303.406 3.214 20 5 DGBDRO Cc1ccnc(NCCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000301279597 433484661 /nfs/dbraw/zinc/48/46/61/433484661.db2.gz JPMSLNAMOIHZNZ-AWEZNQCLSA-N 1 0 306.410 3.365 20 5 DGBDRO Cn1cc(C[N@H+](C)[C@H]2CC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000426551051 433525786 /nfs/dbraw/zinc/52/57/86/433525786.db2.gz DVIZCJWCJLSHME-HNNXBMFYSA-N 1 0 314.389 3.226 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000339359399 433532232 /nfs/dbraw/zinc/53/22/32/433532232.db2.gz HKHZCFQIQWDCSZ-GFCCVEGCSA-N 1 0 322.390 3.316 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(Cl)c1 ZINC000301291430 433491146 /nfs/dbraw/zinc/49/11/46/433491146.db2.gz UVMYQPGVCARIJD-SNVBAGLBSA-N 1 0 310.785 3.072 20 5 DGBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000292212591 433506596 /nfs/dbraw/zinc/50/65/96/433506596.db2.gz ZDLUKKRREYQUQD-JTQLQIEISA-N 1 0 321.402 3.057 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]2c2ccco2)n1 ZINC000414335308 433550179 /nfs/dbraw/zinc/55/01/79/433550179.db2.gz CAHSVSRSKWHALG-RQJABVFESA-N 1 0 316.361 3.014 20 5 DGBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C)C1 ZINC000362153916 433550450 /nfs/dbraw/zinc/55/04/50/433550450.db2.gz YVKORNWWPBKISL-WMLDXEAASA-N 1 0 306.406 3.274 20 5 DGBDRO Cc1cc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301432536 433553324 /nfs/dbraw/zinc/55/33/24/433553324.db2.gz PKENCUBBYVTNFA-WBMJQRKESA-N 1 0 306.410 3.221 20 5 DGBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[C@@H](C)C1 ZINC000362157531 433554247 /nfs/dbraw/zinc/55/42/47/433554247.db2.gz PTZJJTXWRQWFDX-UKRRQHHQSA-N 1 0 322.405 3.240 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(F)cc2)n1 ZINC000351526663 433554350 /nfs/dbraw/zinc/55/43/50/433554350.db2.gz YLJBJTXOHZMWAR-GJZGRUSLSA-N 1 0 318.352 3.204 20 5 DGBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000362158942 433556609 /nfs/dbraw/zinc/55/66/09/433556609.db2.gz AZAUOMFQTGZQJM-GJZGRUSLSA-N 1 0 322.405 3.111 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000301446865 433562129 /nfs/dbraw/zinc/56/21/29/433562129.db2.gz QHLQBGQPGIFXJM-UONOGXRCSA-N 1 0 321.421 3.274 20 5 DGBDRO Cc1cnc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301468160 433569106 /nfs/dbraw/zinc/56/91/06/433569106.db2.gz YUTQHTBGURYGBN-HNNXBMFYSA-N 1 0 318.352 3.152 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)c1cccnc1 ZINC000414324170 433543391 /nfs/dbraw/zinc/54/33/91/433543391.db2.gz BAUUTTHMISMBAM-CQSZACIVSA-N 1 0 313.401 3.488 20 5 DGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000163173057 292864824 /nfs/dbraw/zinc/86/48/24/292864824.db2.gz XRIASYFWCUPZOH-DZGCQCFKSA-N 1 0 319.405 3.400 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOC1CCCC1)C1CC1 ZINC000163246588 292865878 /nfs/dbraw/zinc/86/58/78/292865878.db2.gz JWOIGDMNQVCSFH-QGZVFWFLSA-N 1 0 318.417 3.465 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1COC ZINC000301534391 433599607 /nfs/dbraw/zinc/59/96/07/433599607.db2.gz LEYGLLRUHAVIFP-HNNXBMFYSA-N 1 0 307.394 3.028 20 5 DGBDRO Cc1nc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301663601 433661504 /nfs/dbraw/zinc/66/15/04/433661504.db2.gz VNTNRZPGJRQDIB-FRRDWIJNSA-N 1 0 306.410 3.077 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CS1 ZINC000414496891 433667443 /nfs/dbraw/zinc/66/74/43/433667443.db2.gz DZSWCSGACQEHDG-SCZZXKLOSA-N 1 0 318.345 3.180 20 5 DGBDRO C[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000342414741 433672658 /nfs/dbraw/zinc/67/26/58/433672658.db2.gz CSUYNBAYXMWAOS-HNNXBMFYSA-N 1 0 313.401 3.205 20 5 DGBDRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376034965 433649732 /nfs/dbraw/zinc/64/97/32/433649732.db2.gz OQSHFPDMLHLNHA-LBPRGKRZSA-N 1 0 318.352 3.329 20 5 DGBDRO O=C(CC[NH+]1CC(C2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000367130033 293028461 /nfs/dbraw/zinc/02/84/61/293028461.db2.gz CEGSKOCVSPTXPN-UHFFFAOYSA-N 1 0 317.389 3.045 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000301720856 433694155 /nfs/dbraw/zinc/69/41/55/433694155.db2.gz QBSMDZVHCLJBMR-SMDDNHRTSA-N 1 0 309.797 3.169 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000367438256 293072646 /nfs/dbraw/zinc/07/26/46/293072646.db2.gz LTSJOPRNSNEZOA-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000356798658 433702027 /nfs/dbraw/zinc/70/20/27/433702027.db2.gz RILUTDJCCXDPNB-NXEZZACHSA-N 1 0 317.311 3.142 20 5 DGBDRO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000370540694 293178080 /nfs/dbraw/zinc/17/80/80/293178080.db2.gz VYKCCYUNLARAJK-HNNXBMFYSA-N 1 0 314.389 3.282 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(OCC2CC2)CC1 ZINC000372399218 293243676 /nfs/dbraw/zinc/24/36/76/293243676.db2.gz FAMVRZGLHVBOJV-HWKANZROSA-N 1 0 316.401 3.499 20 5 DGBDRO Cc1nc(N[C@H](C)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301980350 293341820 /nfs/dbraw/zinc/34/18/20/293341820.db2.gz AOWHHKLNFWNOCG-CYBMUJFWSA-N 1 0 314.389 3.231 20 5 DGBDRO Cc1c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000374340576 293386966 /nfs/dbraw/zinc/38/69/66/293386966.db2.gz KSSSREKNAJGSMC-INIZCTEOSA-N 1 0 304.390 3.152 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)ccc1Cl ZINC000374386825 293392606 /nfs/dbraw/zinc/39/26/06/293392606.db2.gz ADLSLJHZOGJAMD-OLZOCXBDSA-N 1 0 310.781 3.107 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)OCO2 ZINC000449063773 433721115 /nfs/dbraw/zinc/72/11/15/433721115.db2.gz NRICUXBELBJDSO-LBPRGKRZSA-N 1 0 314.341 3.044 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339685307 433727602 /nfs/dbraw/zinc/72/76/02/433727602.db2.gz YEKXQUGIJXALOM-TZMCWYRMSA-N 1 0 317.389 3.044 20 5 DGBDRO CCCCOC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000362455270 433729135 /nfs/dbraw/zinc/72/91/35/433729135.db2.gz RZSNJZLIBPZFNE-UHFFFAOYSA-N 1 0 322.405 3.255 20 5 DGBDRO C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000301812599 433737637 /nfs/dbraw/zinc/73/76/37/433737637.db2.gz YMGFVPMBSCVWAS-VIFPVBQESA-N 1 0 301.337 3.261 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000301812053 433738154 /nfs/dbraw/zinc/73/81/54/433738154.db2.gz FALMHAZDSSCILF-ZDUSSCGKSA-N 1 0 317.311 3.366 20 5 DGBDRO Cc1nc(NCc2ccc(C[NH+](C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000301873929 433771750 /nfs/dbraw/zinc/77/17/50/433771750.db2.gz JPSPYCSGJYXESR-UHFFFAOYSA-N 1 0 318.352 3.111 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2cscn2)C2CC2)cc1 ZINC000283615202 433750697 /nfs/dbraw/zinc/75/06/97/433750697.db2.gz AGBBWGBEWYXQSH-UHFFFAOYSA-N 1 0 303.387 3.258 20 5 DGBDRO C[C@H]1C[NH2+]CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414661429 433773927 /nfs/dbraw/zinc/77/39/27/433773927.db2.gz XBUSXLKRSKCNJN-LBPRGKRZSA-N 1 0 317.414 3.117 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000449792017 433805394 /nfs/dbraw/zinc/80/53/94/433805394.db2.gz RBCYRZFZJIPEGT-LTBFUDJGSA-N 1 0 304.390 3.093 20 5 DGBDRO C[C@@H]1[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343424071 433806773 /nfs/dbraw/zinc/80/67/73/433806773.db2.gz CIDIWZACOJMOLC-YPMHNXCESA-N 1 0 300.362 3.038 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3(O)CCC3)o2)cc1 ZINC000284012999 433815042 /nfs/dbraw/zinc/81/50/42/433815042.db2.gz NBIZXIJNXZBJSJ-UHFFFAOYSA-N 1 0 316.357 3.250 20 5 DGBDRO C[C@@H](C1CCC1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000357014857 433821970 /nfs/dbraw/zinc/82/19/70/433821970.db2.gz YDLDWGWLXRCWNG-NSHDSACASA-N 1 0 306.362 3.082 20 5 DGBDRO [NH3+]C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000414840059 433873796 /nfs/dbraw/zinc/87/37/96/433873796.db2.gz MDGKQGKTHXTWNZ-VGZDNEPHSA-N 1 0 303.406 3.105 20 5 DGBDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000343806173 433831704 /nfs/dbraw/zinc/83/17/04/433831704.db2.gz JWJSGPHIHQXCAM-CZUORRHYSA-N 1 0 314.389 3.402 20 5 DGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000293694790 433832738 /nfs/dbraw/zinc/83/27/38/433832738.db2.gz LLONRCOEOCYKRQ-CJNGLKHVSA-N 1 0 321.421 3.188 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000357039770 433839630 /nfs/dbraw/zinc/83/96/30/433839630.db2.gz NVSQANTZPZHYRE-GFCCVEGCSA-N 1 0 308.378 3.103 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCN(C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433177656 433843486 /nfs/dbraw/zinc/84/34/86/433843486.db2.gz VEGNNHHGDZNVOL-SJCJKPOMSA-N 1 0 315.417 3.144 20 5 DGBDRO CN(C)C1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433100554 433844528 /nfs/dbraw/zinc/84/45/28/433844528.db2.gz MRQUJQDQNOWXNU-INIZCTEOSA-N 1 0 317.433 3.391 20 5 DGBDRO C/C=C/C[C@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433230294 433846440 /nfs/dbraw/zinc/84/64/40/433846440.db2.gz FICZKGDTFFJUSV-RQLFMYLUSA-N 1 0 304.390 3.234 20 5 DGBDRO C/C=C/C[C@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433230289 433846703 /nfs/dbraw/zinc/84/67/03/433846703.db2.gz FICZKGDTFFJUSV-PONCJWPGSA-N 1 0 304.390 3.234 20 5 DGBDRO [NH3+]C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000414807443 433848151 /nfs/dbraw/zinc/84/81/51/433848151.db2.gz QZVNWTXYOHTWIX-OAHLLOKOSA-N 1 0 317.414 3.150 20 5 DGBDRO CC(C)C[C@@H](C[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414834096 433867130 /nfs/dbraw/zinc/86/71/30/433867130.db2.gz GMVJWFJKBIVNBT-ZDUSSCGKSA-N 1 0 317.389 3.318 20 5 DGBDRO [NH3+][C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000414888113 433899171 /nfs/dbraw/zinc/89/91/71/433899171.db2.gz JUDLXJZVQQEEIL-AWEZNQCLSA-N 1 0 317.414 3.150 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000377524846 433902729 /nfs/dbraw/zinc/90/27/29/433902729.db2.gz OTJDASLQXDAHGA-CQSZACIVSA-N 1 0 317.389 3.045 20 5 DGBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000377534629 433908574 /nfs/dbraw/zinc/90/85/74/433908574.db2.gz VTGGFFOQXZRARG-CYBMUJFWSA-N 1 0 323.780 3.061 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2CCC2CCCC2)n1 ZINC000362954354 433922289 /nfs/dbraw/zinc/92/22/89/433922289.db2.gz JVUUKLKGFSNBGJ-OAHLLOKOSA-N 1 0 306.410 3.226 20 5 DGBDRO C[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]1 ZINC000414948674 433928858 /nfs/dbraw/zinc/92/88/58/433928858.db2.gz MNRJMJYCEYDLOA-GXTWGEPZSA-N 1 0 315.373 3.085 20 5 DGBDRO CCOC(=O)CCCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285373532 433929608 /nfs/dbraw/zinc/92/96/08/433929608.db2.gz RBIYBRFRGBAKPT-UHFFFAOYSA-N 1 0 322.405 3.193 20 5 DGBDRO CCCC[N@H+](C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436395722 433958861 /nfs/dbraw/zinc/95/88/61/433958861.db2.gz XKCRVKLIWACFEH-UHFFFAOYSA-N 1 0 320.315 3.152 20 5 DGBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000285550642 433987786 /nfs/dbraw/zinc/98/77/86/433987786.db2.gz ROMJGXSGNGFCFG-UHFFFAOYSA-N 1 0 308.353 3.125 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000450257968 434061895 /nfs/dbraw/zinc/06/18/95/434061895.db2.gz YJOCRMYECBBMGR-HOCLYGCPSA-N 1 0 312.373 3.182 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)cc(N)c1 ZINC000414970643 293898532 /nfs/dbraw/zinc/89/85/32/293898532.db2.gz VOGFUPKQWBEUTA-UHFFFAOYSA-N 1 0 315.373 3.174 20 5 DGBDRO C[C@H](CCO)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305861465 434083926 /nfs/dbraw/zinc/08/39/26/434083926.db2.gz YCHKVYQNDKOPBU-RDTXWAMCSA-N 1 0 314.385 3.292 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450289264 434086669 /nfs/dbraw/zinc/08/66/69/434086669.db2.gz OPTJVSWXBFLXJL-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CC(C)(C[NH+]1CCCC1)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000308632994 434091318 /nfs/dbraw/zinc/09/13/18/434091318.db2.gz HUUYNUGTSNMOGC-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3CO)o2)cc1 ZINC000449704456 293949225 /nfs/dbraw/zinc/94/92/25/293949225.db2.gz IBYBRVCXBGNIKW-BBRMVZONSA-N 1 0 316.357 3.105 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450360541 434125497 /nfs/dbraw/zinc/12/54/97/434125497.db2.gz LFDDTSSPMHNEAB-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000499537076 294087686 /nfs/dbraw/zinc/08/76/86/294087686.db2.gz HLJSACTVYVQROX-KBPBESRZSA-N 1 0 306.410 3.158 20 5 DGBDRO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000501055313 294130258 /nfs/dbraw/zinc/13/02/58/294130258.db2.gz BELWHPVJDCTATF-CYBMUJFWSA-N 1 0 319.405 3.291 20 5 DGBDRO COc1ccc(CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422944265 434126360 /nfs/dbraw/zinc/12/63/60/434126360.db2.gz LFAUKJPJBQQFSV-ZFWWWQNUSA-N 1 0 321.421 3.004 20 5 DGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285984066 434127153 /nfs/dbraw/zinc/12/71/53/434127153.db2.gz FMXSYANQNBDQDB-WFASDCNBSA-N 1 0 305.378 3.010 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503039482 294183692 /nfs/dbraw/zinc/18/36/92/294183692.db2.gz YWAYDWWRMZBWED-WMLDXEAASA-N 1 0 312.369 3.497 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C1CC1 ZINC000504900514 294224064 /nfs/dbraw/zinc/22/40/64/294224064.db2.gz ZCVYFDMWIXYWLB-CJNGLKHVSA-N 1 0 324.446 3.216 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450370361 434137860 /nfs/dbraw/zinc/13/78/60/434137860.db2.gz XQVAKFZJHYRGBO-STQMWFEESA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000314855580 434154538 /nfs/dbraw/zinc/15/45/38/434154538.db2.gz XWTYXWOFAFYKOP-LBPRGKRZSA-N 1 0 304.321 3.464 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000450411867 434158999 /nfs/dbraw/zinc/15/89/99/434158999.db2.gz OGYUJIIBPUULBU-QWHCGFSZSA-N 1 0 314.389 3.062 20 5 DGBDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000357778840 434173426 /nfs/dbraw/zinc/17/34/26/434173426.db2.gz NZMJICMKKZVPTR-NSHDSACASA-N 1 0 303.362 3.401 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC12CCCCC2 ZINC000363951387 434192700 /nfs/dbraw/zinc/19/27/00/434192700.db2.gz WPXBPGIUJALEGI-CYBMUJFWSA-N 1 0 306.410 3.121 20 5 DGBDRO CCOc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000317108051 434195642 /nfs/dbraw/zinc/19/56/42/434195642.db2.gz BXXCWDJNEDQLMR-ZIAGYGMSSA-N 1 0 305.378 3.032 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000437044822 434206434 /nfs/dbraw/zinc/20/64/34/434206434.db2.gz IXWOLFULNDXTPK-DYEKYZERSA-N 1 0 305.378 3.090 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nccs1 ZINC000515866861 294580911 /nfs/dbraw/zinc/58/09/11/294580911.db2.gz DBIBUFLSXAMWPG-MFKMUULPSA-N 1 0 303.387 3.432 20 5 DGBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000319298138 434222508 /nfs/dbraw/zinc/22/25/08/434222508.db2.gz OJEZETPVQQVSSA-RHSMWYFYSA-N 1 0 306.406 3.153 20 5 DGBDRO CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353568478 434232687 /nfs/dbraw/zinc/23/26/87/434232687.db2.gz JMJAWCHZGRTCJZ-GUYCJALGSA-N 1 0 305.422 3.291 20 5 DGBDRO COc1cc(C[NH2+]CC2=CCCCC2)c([N+](=O)[O-])cc1OC ZINC000295156303 434234469 /nfs/dbraw/zinc/23/44/69/434234469.db2.gz RQYWUCYOHUYBOU-UHFFFAOYSA-N 1 0 306.362 3.202 20 5 DGBDRO CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353568477 434235475 /nfs/dbraw/zinc/23/54/75/434235475.db2.gz JMJAWCHZGRTCJZ-DYVFJYSZSA-N 1 0 305.422 3.291 20 5 DGBDRO Cc1ccc([C@H](C)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000423266386 434324509 /nfs/dbraw/zinc/32/45/09/434324509.db2.gz RUTPLPYMAVPRNA-XJKSGUPXSA-N 1 0 305.422 3.461 20 5 DGBDRO CC(C)C[C@H](CN)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423266804 434324923 /nfs/dbraw/zinc/32/49/23/434324923.db2.gz SFTKDRRLUHNBIS-UAGQMJEPSA-N 1 0 319.449 3.269 20 5 DGBDRO CC(C)C[C@H](CN)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423266802 434325003 /nfs/dbraw/zinc/32/50/03/434325003.db2.gz SFTKDRRLUHNBIS-DJIMGWMZSA-N 1 0 319.449 3.269 20 5 DGBDRO CC(C)C[C@@H](C[NH3+])N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423272554 434329996 /nfs/dbraw/zinc/32/99/96/434329996.db2.gz ZDSCLTWEQJVAER-BLLLJJGKSA-N 1 0 305.422 3.280 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000382443555 434278535 /nfs/dbraw/zinc/27/85/35/434278535.db2.gz HNWHVBPTRDFLCU-IUCAKERBSA-N 1 0 303.284 3.295 20 5 DGBDRO CC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000517922865 294697561 /nfs/dbraw/zinc/69/75/61/294697561.db2.gz WPWBBPNYVUTYOW-UHFFFAOYSA-N 1 0 319.405 3.483 20 5 DGBDRO C[C@@H](CO)CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310859 434349515 /nfs/dbraw/zinc/34/95/15/434349515.db2.gz MVGBESQVDNUTGA-DYVFJYSZSA-N 1 0 306.406 3.361 20 5 DGBDRO CCc1ccc([C@H](NC[C@@H](C)C[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423308929 434353205 /nfs/dbraw/zinc/35/32/05/434353205.db2.gz PHGYUVMUYQRHGK-YVEFUNNKSA-N 1 0 317.389 3.024 20 5 DGBDRO C[C@H]([NH2+]CC[S@@](=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000358153309 434354521 /nfs/dbraw/zinc/35/45/21/434354521.db2.gz IEAKQHPMORCOTJ-WHEQGISXSA-N 1 0 318.398 3.053 20 5 DGBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318629 434356123 /nfs/dbraw/zinc/35/61/23/434356123.db2.gz ZGKCKEROYMPJSN-AFAVFJNCSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@H](CCO)C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000519551967 294773434 /nfs/dbraw/zinc/77/34/34/294773434.db2.gz MVRZKLLWSIXWNV-CZUORRHYSA-N 1 0 318.417 3.361 20 5 DGBDRO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000295592164 434421120 /nfs/dbraw/zinc/42/11/20/434421120.db2.gz CDYZCZHFXLNIPA-LBPRGKRZSA-N 1 0 302.378 3.397 20 5 DGBDRO CC[C@@H]1C[N@H+](CC)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000450830257 434428750 /nfs/dbraw/zinc/42/87/50/434428750.db2.gz NPWNQJINDONEQV-CQSZACIVSA-N 1 0 314.389 3.064 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)CCO2 ZINC000348670285 434441454 /nfs/dbraw/zinc/44/14/54/434441454.db2.gz IQEASXDUDFOOMR-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO C[C@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423506451 434465268 /nfs/dbraw/zinc/46/52/68/434465268.db2.gz HTOANJVOEIIKAR-DOPJRALCSA-N 1 0 311.385 3.001 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(N)c1F)c1ccccc1 ZINC000348729678 434466084 /nfs/dbraw/zinc/46/60/84/434466084.db2.gz VGSJJWYIYHOJOA-CQSZACIVSA-N 1 0 318.352 3.031 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC4(CC4)CC3)n2)c1 ZINC000366688875 434485643 /nfs/dbraw/zinc/48/56/43/434485643.db2.gz SMHRUUACSLLFTB-UHFFFAOYSA-N 1 0 314.345 3.021 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000360036158 434486633 /nfs/dbraw/zinc/48/66/33/434486633.db2.gz MCKNCPVBTOCJHJ-FVQBIDKESA-N 1 0 304.390 3.196 20 5 DGBDRO CCC1(CC)CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000438486407 434490699 /nfs/dbraw/zinc/49/06/99/434490699.db2.gz PKZWAJKAKYZAGC-UHFFFAOYSA-N 1 0 319.405 3.070 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000296063676 434497598 /nfs/dbraw/zinc/49/75/98/434497598.db2.gz RIXVVQHFRCXTEH-UHFFFAOYSA-N 1 0 317.389 3.226 20 5 DGBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000366773726 434506272 /nfs/dbraw/zinc/50/62/72/434506272.db2.gz IDHYFFOMCDBWQE-MRXNPFEDSA-N 1 0 324.384 3.161 20 5 DGBDRO C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000366877520 434529278 /nfs/dbraw/zinc/52/92/78/434529278.db2.gz CFGATMWJYYSRNL-GOEBONIOSA-N 1 0 314.389 3.059 20 5 DGBDRO Cc1ccc(CNCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000360164177 434539392 /nfs/dbraw/zinc/53/93/92/434539392.db2.gz GGJVSDXBGQLOPG-UHFFFAOYSA-N 1 0 305.422 3.115 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cc(C)no2)cc1[N+](=O)[O-] ZINC000353948305 434540769 /nfs/dbraw/zinc/54/07/69/434540769.db2.gz SYSWIWSAORIKNN-GFCCVEGCSA-N 1 0 319.361 3.183 20 5 DGBDRO [NH3+]CCN(Cc1c(F)cccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000348901811 434547736 /nfs/dbraw/zinc/54/77/36/434547736.db2.gz AKONCPWQRUHEAC-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)n1 ZINC000408341857 434563108 /nfs/dbraw/zinc/56/31/08/434563108.db2.gz TYTKIWUGOURHBR-KKUMJFAQSA-N 1 0 318.421 3.140 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451705418 434578165 /nfs/dbraw/zinc/57/81/65/434578165.db2.gz YNEYQYLBTAMGPG-KLZNWCGWSA-N 1 0 318.417 3.447 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000360328765 434580330 /nfs/dbraw/zinc/58/03/30/434580330.db2.gz HJIIYHNOXNMXCB-DVZHBHJUSA-N 1 0 319.405 3.336 20 5 DGBDRO C[C@H](CCn1cccn1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000354029242 434585367 /nfs/dbraw/zinc/58/53/67/434585367.db2.gz MRZFHVJLZSHQKG-OAHLLOKOSA-N 1 0 316.405 3.182 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CC1(C)C ZINC000418112961 434590643 /nfs/dbraw/zinc/59/06/43/434590643.db2.gz ZJZNQKIQGZSAJK-LSDHHAIUSA-N 1 0 320.389 3.376 20 5 DGBDRO CC[C@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000354099081 434617193 /nfs/dbraw/zinc/61/71/93/434617193.db2.gz BLQQTVFKJDJAPQ-MRXNPFEDSA-N 1 0 306.362 3.083 20 5 DGBDRO C[NH+](C)[C@]1(CNc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000349190419 434630835 /nfs/dbraw/zinc/63/08/35/434630835.db2.gz JRXOCSULRMDZLE-ZDUSSCGKSA-N 1 0 315.826 3.097 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)OC ZINC000349202536 434635649 /nfs/dbraw/zinc/63/56/49/434635649.db2.gz PCEMCTCZPJJHQB-QWHCGFSZSA-N 1 0 312.435 3.480 20 5 DGBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])cc1Br ZINC000354156014 434645755 /nfs/dbraw/zinc/64/57/55/434645755.db2.gz UKOWENMYFFYLMY-UHFFFAOYSA-N 1 0 305.197 3.011 20 5 DGBDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000349073832 434597660 /nfs/dbraw/zinc/59/76/60/434597660.db2.gz LKOKYZZDCAINKI-UHFFFAOYSA-N 1 0 317.389 3.060 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000349248181 434650118 /nfs/dbraw/zinc/65/01/18/434650118.db2.gz REMKCQATHXSBMZ-LRDDRELGSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cccc2c1C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000459701176 434669843 /nfs/dbraw/zinc/66/98/43/434669843.db2.gz NDEMNQHVHPZFHB-SBSDFTTDSA-N 1 0 324.380 3.374 20 5 DGBDRO C[NH+](C)CCN(Cc1ccsc1)Cc1cccc([N+](=O)[O-])c1 ZINC000459739848 434685875 /nfs/dbraw/zinc/68/58/75/434685875.db2.gz CIPCGPKOHJUZDF-UHFFFAOYSA-N 1 0 319.430 3.220 20 5 DGBDRO CC1(C)[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000371799476 434753524 /nfs/dbraw/zinc/75/35/24/434753524.db2.gz PBQAPESZNYRURS-AGBALKNHSA-N 1 0 316.401 3.401 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000459770498 434709776 /nfs/dbraw/zinc/70/97/76/434709776.db2.gz RIBIABMKQXRLEX-UONOGXRCSA-N 1 0 310.781 3.295 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000459771053 434711698 /nfs/dbraw/zinc/71/16/98/434711698.db2.gz HENRMJYXDIIQFM-IPYPFGDCSA-N 1 0 317.389 3.010 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000459771056 434713578 /nfs/dbraw/zinc/71/35/78/434713578.db2.gz HENRMJYXDIIQFM-VNHYZAJKSA-N 1 0 317.389 3.010 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459787641 434721189 /nfs/dbraw/zinc/72/11/89/434721189.db2.gz PQGNTVYJMCJRDH-APHBMKBZSA-N 1 0 304.390 3.073 20 5 DGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000419314275 434771798 /nfs/dbraw/zinc/77/17/98/434771798.db2.gz MKRGILRLPOJUAG-STQMWFEESA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(C2CC2)cc1 ZINC000419334688 434773478 /nfs/dbraw/zinc/77/34/78/434773478.db2.gz GXURPTGAHMEMBP-LBPRGKRZSA-N 1 0 300.362 3.020 20 5 DGBDRO CC1(C)CCC[N@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000443959505 434783592 /nfs/dbraw/zinc/78/35/92/434783592.db2.gz HTVSGUZZRYGOTA-UHFFFAOYSA-N 1 0 318.421 3.097 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CS1 ZINC000414227044 297286042 /nfs/dbraw/zinc/28/60/42/297286042.db2.gz KIFSESSCXHHVIR-DFBGVHRSSA-N 1 0 306.431 3.400 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419372735 434781460 /nfs/dbraw/zinc/78/14/60/434781460.db2.gz MWPZYELLZMMWPM-MJBXVCDLSA-N 1 0 319.405 3.208 20 5 DGBDRO CCn1ccnc1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000453147180 434815923 /nfs/dbraw/zinc/81/59/23/434815923.db2.gz IWRYLECIPYANBX-CQSZACIVSA-N 1 0 316.405 3.485 20 5 DGBDRO CCC[C@H](C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)OC ZINC000453241010 434838651 /nfs/dbraw/zinc/83/86/51/434838651.db2.gz CVSTYXKAYUJRTH-TZMCWYRMSA-N 1 0 310.394 3.459 20 5 DGBDRO CCOc1cc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)ccc1[N+](=O)[O-] ZINC000411967445 434849286 /nfs/dbraw/zinc/84/92/86/434849286.db2.gz IADULKNJSCIWAU-PXAZEXFGSA-N 1 0 322.405 3.287 20 5 DGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000412041512 434858977 /nfs/dbraw/zinc/85/89/77/434858977.db2.gz LNOHZBAZTGYWNV-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO CC[NH+](CC)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000461961247 434894239 /nfs/dbraw/zinc/89/42/39/434894239.db2.gz XXONHCDPVBWGOU-ZDUSSCGKSA-N 1 0 309.385 3.210 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000461965021 434894824 /nfs/dbraw/zinc/89/48/24/434894824.db2.gz LTXXZFPZAZIEFT-CYBMUJFWSA-N 1 0 309.385 3.210 20 5 DGBDRO CO[C@@](C)(C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462912112 434936583 /nfs/dbraw/zinc/93/65/83/434936583.db2.gz ISJWACWVDFERKX-VEMDQMBVSA-N 1 0 304.390 3.403 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000492175883 434930558 /nfs/dbraw/zinc/93/05/58/434930558.db2.gz NVTVMZGGXZXJJK-QWHCGFSZSA-N 1 0 324.808 3.497 20 5 DGBDRO CC(C)C[NH+]1CCC(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000574464181 434979210 /nfs/dbraw/zinc/97/92/10/434979210.db2.gz AIXFXOMXPPUSLV-QGZVFWFLSA-N 1 0 317.433 3.292 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000466418512 435076688 /nfs/dbraw/zinc/07/66/88/435076688.db2.gz YIJKYFNJBVSMJW-RDTXFTJFSA-N 1 0 318.417 3.386 20 5 DGBDRO CCC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000466471718 435078934 /nfs/dbraw/zinc/07/89/34/435078934.db2.gz FTGHCKHSMOAZHY-CQSZACIVSA-N 1 0 319.405 3.436 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000466741983 435091310 /nfs/dbraw/zinc/09/13/10/435091310.db2.gz VFWSDJBZMSBYQF-AWEZNQCLSA-N 1 0 322.405 3.350 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000530724508 435047385 /nfs/dbraw/zinc/04/73/85/435047385.db2.gz VBVFQVKKUIYQIF-QGZVFWFLSA-N 1 0 313.357 3.206 20 5 DGBDRO C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1C[NH3+] ZINC000638895465 435113923 /nfs/dbraw/zinc/11/39/23/435113923.db2.gz TWYOVCZTZHKTGT-UKRRQHHQSA-N 1 0 319.408 3.055 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H](CO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000559075997 435121636 /nfs/dbraw/zinc/12/16/36/435121636.db2.gz SJBBOSVWMHFYSI-HNNXBMFYSA-N 1 0 322.405 3.024 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000467443907 435121982 /nfs/dbraw/zinc/12/19/82/435121982.db2.gz DYOMOVBZZIVXCJ-UKRRQHHQSA-N 1 0 306.406 3.434 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000467443904 435122075 /nfs/dbraw/zinc/12/20/75/435122075.db2.gz DYOMOVBZZIVXCJ-DZGCQCFKSA-N 1 0 306.406 3.434 20 5 DGBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000475377995 435193883 /nfs/dbraw/zinc/19/38/83/435193883.db2.gz CQEAPJBIKYCJSJ-GNJLHFKMSA-N 1 0 318.417 3.481 20 5 DGBDRO CC[C@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532978524 435203601 /nfs/dbraw/zinc/20/36/01/435203601.db2.gz UBUKFSLDHDLRBH-AWEZNQCLSA-N 1 0 319.405 3.354 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1(C)C ZINC000561655470 435227387 /nfs/dbraw/zinc/22/73/87/435227387.db2.gz DMAPSRFYFCRCNZ-CCRAROINSA-N 1 0 304.390 3.257 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000533436488 435238634 /nfs/dbraw/zinc/23/86/34/435238634.db2.gz JJTMATBOSAPGKL-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO Cc1c(CNC2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000478476306 435301758 /nfs/dbraw/zinc/30/17/58/435301758.db2.gz BRGXRIPFSWYDCG-UHFFFAOYSA-N 1 0 317.433 3.400 20 5 DGBDRO CC[C@H](C(=O)OC(C)(C)C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511143347 435316215 /nfs/dbraw/zinc/31/62/15/435316215.db2.gz QLLZSDNLTFZMKB-CQSZACIVSA-N 1 0 322.405 3.189 20 5 DGBDRO CC(C)OC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000535079048 435318637 /nfs/dbraw/zinc/31/86/37/435318637.db2.gz UWWKAVMHXGEVMQ-FNORWQNLSA-N 1 0 304.390 3.497 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000536745148 435408611 /nfs/dbraw/zinc/40/86/11/435408611.db2.gz GXVZNFLBEBDMKU-QWHCGFSZSA-N 1 0 308.378 3.245 20 5 DGBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000567992981 435376517 /nfs/dbraw/zinc/37/65/17/435376517.db2.gz CUYZMGSELNDFDM-GWCFXTLKSA-N 1 0 300.786 3.135 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000513100109 435376596 /nfs/dbraw/zinc/37/65/96/435376596.db2.gz GSYPEJRLWWUTLD-OTMARIDSSA-N 1 0 317.433 3.462 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536363797 435379540 /nfs/dbraw/zinc/37/95/40/435379540.db2.gz SADWVVJRDNQZPT-NWDGAFQWSA-N 1 0 301.346 3.480 20 5 DGBDRO CC(C)[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCC1 ZINC000569472906 435536913 /nfs/dbraw/zinc/53/69/13/435536913.db2.gz SRRVVYFNYIXIDC-SJLPKXTDSA-N 1 0 317.433 3.292 20 5 DGBDRO COc1cccc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000538129421 435481946 /nfs/dbraw/zinc/48/19/46/435481946.db2.gz VRVMCFBJULWRST-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000538128858 435483625 /nfs/dbraw/zinc/48/36/25/435483625.db2.gz IIOHHLOSUJHGRQ-ZDUSSCGKSA-N 1 0 316.357 3.333 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CS1 ZINC000568945049 435484816 /nfs/dbraw/zinc/48/48/16/435484816.db2.gz QIHIJTVKERBYHE-IUODEOHRSA-N 1 0 310.419 3.093 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(N(C)C)n1 ZINC000540138723 435588879 /nfs/dbraw/zinc/58/88/79/435588879.db2.gz FRZRZMNTIWWQFP-ZDUSSCGKSA-N 1 0 314.389 3.215 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOCc1ccccc1 ZINC000569591230 435544497 /nfs/dbraw/zinc/54/44/97/435544497.db2.gz YIRZGBMZFVHDTC-KRWDZBQOSA-N 1 0 312.369 3.389 20 5 DGBDRO CC(C)CC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486808330 435615517 /nfs/dbraw/zinc/61/55/17/435615517.db2.gz CLCDMRVADAPBAE-CQSZACIVSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000570527555 435628067 /nfs/dbraw/zinc/62/80/67/435628067.db2.gz NVJINYVYDRPEJA-UHFFFAOYSA-N 1 0 313.423 3.211 20 5 DGBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000488333123 435637262 /nfs/dbraw/zinc/63/72/62/435637262.db2.gz CMPDZNSFBVDGBJ-DGCLKSJQSA-N 1 0 319.405 3.029 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000488727928 435642372 /nfs/dbraw/zinc/64/23/72/435642372.db2.gz DYJFLSXIJFPDEZ-IIAWOOMASA-N 1 0 303.406 3.070 20 5 DGBDRO CN(CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000548935106 435729724 /nfs/dbraw/zinc/72/97/24/435729724.db2.gz BMLYVVOFRFSQLI-UHFFFAOYSA-N 1 0 313.401 3.206 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+]C3(C4CC4)CC3)o2)c1 ZINC000520459151 435748113 /nfs/dbraw/zinc/74/81/13/435748113.db2.gz RMPVZPWLNNMYID-UHFFFAOYSA-N 1 0 313.357 3.325 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000548791384 435719974 /nfs/dbraw/zinc/71/99/74/435719974.db2.gz DQVFMGMKYMPXAU-OAHLLOKOSA-N 1 0 324.808 3.340 20 5 DGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000572088381 435779397 /nfs/dbraw/zinc/77/93/97/435779397.db2.gz ADWRRYYUJHGTDE-UHFFFAOYSA-N 1 0 316.405 3.290 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000572855655 435875296 /nfs/dbraw/zinc/87/52/96/435875296.db2.gz HXCOPVBSEBGNNF-RHSMWYFYSA-N 1 0 315.417 3.189 20 5 DGBDRO [NH3+]CC1(CCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000653220596 436135952 /nfs/dbraw/zinc/13/59/52/436135952.db2.gz ONHCNCLHDLUXFQ-UHFFFAOYSA-N 1 0 319.408 3.247 20 5 DGBDRO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680145 312791719 /nfs/dbraw/zinc/79/17/19/312791719.db2.gz FKRMGNYEACHBSR-UONOGXRCSA-N 1 0 321.421 3.249 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000377086713 313014769 /nfs/dbraw/zinc/01/47/69/313014769.db2.gz OUSYNRAZYKQPRB-ZIAGYGMSSA-N 1 0 317.389 3.226 20 5 DGBDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532459609 313551471 /nfs/dbraw/zinc/55/14/71/313551471.db2.gz MPSWCSQTZMDMDI-CYBMUJFWSA-N 1 0 302.378 3.218 20 5 DGBDRO CC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000540184879 313951504 /nfs/dbraw/zinc/95/15/04/313951504.db2.gz XVZVEQUBYRWOQF-DOTOQJQBSA-N 1 0 306.406 3.322 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000540184854 313951642 /nfs/dbraw/zinc/95/16/42/313951642.db2.gz XLVTZDZXGMYXPY-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO CCc1cccnc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000541882653 314046455 /nfs/dbraw/zinc/04/64/55/314046455.db2.gz RQEQGYBNUTVNIN-CYBMUJFWSA-N 1 0 315.373 3.282 20 5 DGBDRO CC(C)n1cc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000542573323 314086080 /nfs/dbraw/zinc/08/60/80/314086080.db2.gz HHQICHMFPZKFAZ-ZDUSSCGKSA-N 1 0 318.377 3.102 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000543248401 314124223 /nfs/dbraw/zinc/12/42/23/314124223.db2.gz ZRUITYWTSXWETN-ZDUSSCGKSA-N 1 0 319.405 3.210 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C2CC(OCc3ccccc3)C2)cs1 ZINC000547364504 314360066 /nfs/dbraw/zinc/36/00/66/314360066.db2.gz FPJAJHFNTMBWAL-UHFFFAOYSA-N 1 0 318.398 3.494 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000547738735 314390890 /nfs/dbraw/zinc/39/08/90/314390890.db2.gz PRFDHUONWGJPES-DLBZAZTESA-N 1 0 318.417 3.465 20 5 DGBDRO COCC1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000556897606 314786849 /nfs/dbraw/zinc/78/68/49/314786849.db2.gz PANOUOZIUKXPEB-UHFFFAOYSA-N 1 0 322.405 3.003 20 5 DGBDRO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000562999763 315068939 /nfs/dbraw/zinc/06/89/39/315068939.db2.gz DYTHVJICSQAVGV-UHFFFAOYSA-N 1 0 319.405 3.339 20 5 DGBDRO CCN1CCCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418418 315113109 /nfs/dbraw/zinc/11/31/09/315113109.db2.gz PEFCJDOTQNVZTQ-BBRMVZONSA-N 1 0 303.406 3.046 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563634571 315129088 /nfs/dbraw/zinc/12/90/88/315129088.db2.gz DFOCMHQDHWQELT-IOASZLSFSA-N 1 0 303.406 3.045 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000564316126 315168375 /nfs/dbraw/zinc/16/83/75/315168375.db2.gz WEHNGTHGIXRWKA-QXAKKESOSA-N 1 0 324.380 3.421 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CO1 ZINC000564961201 315215260 /nfs/dbraw/zinc/21/52/60/315215260.db2.gz NQERSSMZUSKFKJ-VXGBXAGGSA-N 1 0 302.330 3.122 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2COc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000569413410 315579165 /nfs/dbraw/zinc/57/91/65/315579165.db2.gz DVLSOVSCHDUMCO-MRXNPFEDSA-N 1 0 312.369 3.305 20 5 DGBDRO CCc1cccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000569463746 315583137 /nfs/dbraw/zinc/58/31/37/315583137.db2.gz JNIGRSAODQJGRK-UHFFFAOYSA-N 1 0 300.358 3.456 20 5 DGBDRO CCCN(CC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000573834436 315905117 /nfs/dbraw/zinc/90/51/17/315905117.db2.gz CSXURXOLIJVJEA-UHFFFAOYSA-N 1 0 306.410 3.082 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000574100571 315932263 /nfs/dbraw/zinc/93/22/63/315932263.db2.gz UGXGLTRGMJAKIG-QSJFSLAZSA-N 1 0 302.374 3.129 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000575000336 316023638 /nfs/dbraw/zinc/02/36/38/316023638.db2.gz VSACJHOSSAZDIK-MRVWCRGKSA-N 1 0 310.781 3.151 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1COc1ccccc1C[NH3+] ZINC000575174013 316039772 /nfs/dbraw/zinc/03/97/72/316039772.db2.gz KJOKPTIVMFXEAC-UHFFFAOYSA-N 1 0 316.357 3.420 20 5 DGBDRO CO[C@@](C)([C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000575881137 316072503 /nfs/dbraw/zinc/07/25/03/316072503.db2.gz HJUCIXQOMTVWTO-CXMBCZLWSA-N 1 0 304.390 3.375 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1O ZINC000576649270 316153461 /nfs/dbraw/zinc/15/34/61/316153461.db2.gz ZKMZCZZNFCNTIV-AWEZNQCLSA-N 1 0 314.341 3.086 20 5 DGBDRO CCC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000577338366 316225514 /nfs/dbraw/zinc/22/55/14/316225514.db2.gz VCSRCZPBQHDECK-ZIAGYGMSSA-N 1 0 306.410 3.445 20 5 DGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577648806 316256815 /nfs/dbraw/zinc/25/68/15/316256815.db2.gz KHUGSMLHXVSVRQ-MLGOLLRUSA-N 1 0 314.389 3.013 20 5 DGBDRO C[C@@H](NCc1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000180436409 323229257 /nfs/dbraw/zinc/22/92/57/323229257.db2.gz RCQQPEYIXZUJHV-GFCCVEGCSA-N 1 0 324.340 3.496 20 5 DGBDRO COC(=O)c1oc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180436762 323229544 /nfs/dbraw/zinc/22/95/44/323229544.db2.gz AXTGCUKWXOALGL-LLVKDONJSA-N 1 0 318.329 3.134 20 5 DGBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000181634108 323261983 /nfs/dbraw/zinc/26/19/83/323261983.db2.gz BMWPBBBULOMFOP-HNNXBMFYSA-N 1 0 324.331 3.056 20 5 DGBDRO CCn1nc(C)c(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1C ZINC000580963448 324059318 /nfs/dbraw/zinc/05/93/18/324059318.db2.gz RMHUQGIFYDKFHV-MRXNPFEDSA-N 1 0 314.389 3.205 20 5 DGBDRO CC[NH+]1CCC(CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000581475458 324121560 /nfs/dbraw/zinc/12/15/60/324121560.db2.gz IDMFAKCAEKKJFV-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000581842357 324159373 /nfs/dbraw/zinc/15/93/73/324159373.db2.gz GPAGLVAQAXEJTP-QLFBSQMISA-N 1 0 306.406 3.353 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(F)c1 ZINC000582358461 324220943 /nfs/dbraw/zinc/22/09/43/324220943.db2.gz XVQMPXGELLFPQT-CYBMUJFWSA-N 1 0 301.321 3.118 20 5 DGBDRO Cc1nc(C)c(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000582974555 324298373 /nfs/dbraw/zinc/29/83/73/324298373.db2.gz FKGCQEKGABPBAE-AWEZNQCLSA-N 1 0 317.414 3.488 20 5 DGBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000433036849 533793106 /nfs/dbraw/zinc/79/31/06/533793106.db2.gz ZNLGTRPFZNNXQL-AAEUAGOBSA-N 1 0 308.378 3.232 20 5 DGBDRO Cc1c(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000318457787 533843615 /nfs/dbraw/zinc/84/36/15/533843615.db2.gz QLYFYYSZPUIVMA-BBRMVZONSA-N 1 0 306.406 3.419 20 5 DGBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000302087068 533944539 /nfs/dbraw/zinc/94/45/39/533944539.db2.gz AATKWSODOUMKRB-GFCCVEGCSA-N 1 0 322.365 3.179 20 5 DGBDRO Cc1ccc(C[NH2+]CCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000444030152 534057995 /nfs/dbraw/zinc/05/79/95/534057995.db2.gz JCDGSRAXHKMFHM-UHFFFAOYSA-N 1 0 305.422 3.115 20 5 DGBDRO COc1ccc(NC(=O)CC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000299734099 534064224 /nfs/dbraw/zinc/06/42/24/534064224.db2.gz ZIDPDDIRRWYEMP-UHFFFAOYSA-N 1 0 323.393 3.051 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C(C)C)C1 ZINC000444754969 534339005 /nfs/dbraw/zinc/33/90/05/534339005.db2.gz VHNDIMMRXLYMSN-AWEZNQCLSA-N 1 0 319.405 3.210 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000339395425 519374425 /nfs/dbraw/zinc/37/44/25/519374425.db2.gz QCRMRFYUFGBACI-GUOLPTJISA-N 1 0 302.334 3.194 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000433028778 534885856 /nfs/dbraw/zinc/88/58/56/534885856.db2.gz DCDZXILDKKRHRU-AWEZNQCLSA-N 1 0 310.781 3.128 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000156684351 525914792 /nfs/dbraw/zinc/91/47/92/525914792.db2.gz MFFFKMPVPWPOKG-ZFWWWQNUSA-N 1 0 305.422 3.286 20 5 DGBDRO CCOC(=O)[C@@H](C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302085961 527722174 /nfs/dbraw/zinc/72/21/74/527722174.db2.gz NLKGDXOLEGQFJM-JTQLQIEISA-N 1 0 317.345 3.063 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432322804 528292213 /nfs/dbraw/zinc/29/22/13/528292213.db2.gz NEBBMEWRSFRXJH-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO CCOc1cc(NCC2(C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000318552256 528325575 /nfs/dbraw/zinc/32/55/75/528325575.db2.gz NLOVIRSMDBCOCZ-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO CCOc1cccc(NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000302074170 528673986 /nfs/dbraw/zinc/67/39/86/528673986.db2.gz ICTWDLNOOYMMGL-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCC1 ZINC000444768501 528965377 /nfs/dbraw/zinc/96/53/77/528965377.db2.gz UCLDLJWMOCMLFF-UHFFFAOYSA-N 1 0 302.378 3.482 20 5 DGBDRO CC1(C)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000434712930 529009714 /nfs/dbraw/zinc/00/97/14/529009714.db2.gz XHBBPLNQQDCKBD-UHFFFAOYSA-N 1 0 310.419 3.191 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413094805 529086502 /nfs/dbraw/zinc/08/65/02/529086502.db2.gz QVPQJJJNTDZODY-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429784467 529322162 /nfs/dbraw/zinc/32/21/62/529322162.db2.gz JMMUNBANHNNQJK-YWPYICTPSA-N 1 0 305.378 3.090 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000451471581 535073469 /nfs/dbraw/zinc/07/34/69/535073469.db2.gz PRZAXLBSYJBSNL-FZQKWOKYSA-N 1 0 310.781 3.151 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)O ZINC000449544432 535805764 /nfs/dbraw/zinc/80/57/64/535805764.db2.gz QJRPIWRGUDPELB-XHDPSFHLSA-N 1 0 304.346 3.104 20 5 DGBDRO COC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000452107403 536525158 /nfs/dbraw/zinc/52/51/58/536525158.db2.gz SNXFJKANYHGQNT-LBPRGKRZSA-N 1 0 312.797 3.497 20 5 DGBDRO COc1cccc2c1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C2 ZINC000459704052 536956891 /nfs/dbraw/zinc/95/68/91/536956891.db2.gz PJLYCOGTZBXJPX-OAHLLOKOSA-N 1 0 312.369 3.169 20 5 DGBDRO COc1cnccc1[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449269174 537128220 /nfs/dbraw/zinc/12/82/20/537128220.db2.gz MIPSIRPQQIBPIV-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000594039199 574521514 /nfs/dbraw/zinc/52/15/14/574521514.db2.gz FSUQXZHDTBBQFI-OAHLLOKOSA-N 1 0 308.378 3.051 20 5 DGBDRO CC[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1C)[NH+](CC)CC ZINC000741032233 574525238 /nfs/dbraw/zinc/52/52/38/574525238.db2.gz BNKUTNBTEXJPPT-AWEZNQCLSA-N 1 0 308.378 3.067 20 5 DGBDRO C[N@H+](CCNc1nc2ccc([N+](=O)[O-])cc2s1)C1CCCC1 ZINC000731208557 574545110 /nfs/dbraw/zinc/54/51/10/574545110.db2.gz LXISXXKXMGGCBA-UHFFFAOYSA-N 1 0 320.418 3.491 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000732918006 574587361 /nfs/dbraw/zinc/58/73/61/574587361.db2.gz YAWUTVRXYBZUDC-ZUZCIYMTSA-N 1 0 322.311 3.257 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000747223517 575506672 /nfs/dbraw/zinc/50/66/72/575506672.db2.gz NDBDBSCOYMLXHT-OAHLLOKOSA-N 1 0 321.421 3.052 20 5 DGBDRO C[NH+](C)Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000749154237 575630687 /nfs/dbraw/zinc/63/06/87/575630687.db2.gz IXGDASIBSJUSED-UHFFFAOYSA-N 1 0 323.349 3.109 20 5 DGBDRO CCc1ccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749645970 575670472 /nfs/dbraw/zinc/67/04/72/575670472.db2.gz JEYZBRWZACZZGH-GOSISDBHSA-N 1 0 314.385 3.323 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000749661727 575671117 /nfs/dbraw/zinc/67/11/17/575671117.db2.gz IWYNLNISYCVNIV-GOEBONIOSA-N 1 0 318.398 3.431 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000749646872 575671125 /nfs/dbraw/zinc/67/11/25/575671125.db2.gz MTFHYSVKPHDWTO-INIZCTEOSA-N 1 0 320.776 3.114 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCc3sccc3C2)c1 ZINC000750065671 575701579 /nfs/dbraw/zinc/70/15/79/575701579.db2.gz CUNPTRGJUCOHTK-OAHLLOKOSA-N 1 0 318.398 3.138 20 5 DGBDRO CC(C)[N@H+](C)CC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000728572259 576189127 /nfs/dbraw/zinc/18/91/27/576189127.db2.gz VWKVZSNBJGYWAJ-UHFFFAOYSA-N 1 0 323.412 3.286 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000852787884 620648744 /nfs/dbraw/zinc/64/87/44/620648744.db2.gz QIQYWJRRBIPMJB-RRQGHBQHSA-N 1 0 304.390 3.283 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000853906361 620751534 /nfs/dbraw/zinc/75/15/34/620751534.db2.gz NLKIWPSPKKQWDT-SNVBAGLBSA-N 1 0 306.391 3.101 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC000892433025 618065253 /nfs/dbraw/zinc/06/52/53/618065253.db2.gz XCWUWNCEQYNGGJ-GFCCVEGCSA-N 1 0 316.357 3.468 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892743944 618299677 /nfs/dbraw/zinc/29/96/77/618299677.db2.gz WZFMYVMNYGRADX-LBPRGKRZSA-N 1 0 311.813 3.070 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000894915141 618498704 /nfs/dbraw/zinc/49/87/04/618498704.db2.gz JCHSBHRBDLBXMF-GXTWGEPZSA-N 1 0 300.786 3.133 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnn(C2CCC2)c1 ZINC000894271031 618747736 /nfs/dbraw/zinc/74/77/36/618747736.db2.gz CTRLKAOWYLMCMS-UHFFFAOYSA-N 1 0 314.389 3.191 20 5 DGBDRO Cc1cc(F)ncc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000894273527 618748501 /nfs/dbraw/zinc/74/85/01/618748501.db2.gz SDOPHZPUAIJQJB-UHFFFAOYSA-N 1 0 303.337 3.112 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC[C@H]2CCCO)cc1 ZINC000924956381 618748964 /nfs/dbraw/zinc/74/89/64/618748964.db2.gz WAOPZYRAQPPFMP-RDJZCZTQSA-N 1 0 306.406 3.058 20 5 DGBDRO CC1([NH+]2CCCC2)CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000895527825 618795042 /nfs/dbraw/zinc/79/50/42/618795042.db2.gz RQPIDTHNGSRHKD-UHFFFAOYSA-N 1 0 318.421 3.386 20 5 DGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000895658439 618812895 /nfs/dbraw/zinc/81/28/95/618812895.db2.gz KBZQNXZUYLHMHI-INIZCTEOSA-N 1 0 300.358 3.197 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779920 618831817 /nfs/dbraw/zinc/83/18/17/618831817.db2.gz VMLUQOHVDRWCEM-YEKRNXETSA-N 1 0 304.415 3.293 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000895876896 618843607 /nfs/dbraw/zinc/84/36/07/618843607.db2.gz HSHHBIMWOULILC-HNNXBMFYSA-N 1 0 312.797 3.279 20 5 DGBDRO C[NH+](C)CC[C@H](Nc1ccc([N+](=O)[O-])s1)c1cccnc1 ZINC000895892732 618846340 /nfs/dbraw/zinc/84/63/40/618846340.db2.gz QHHXXUKXROLVRS-LBPRGKRZSA-N 1 0 306.391 3.156 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000896584676 618930589 /nfs/dbraw/zinc/93/05/89/618930589.db2.gz QSFCXNMKMVNUDX-ZDUSSCGKSA-N 1 0 316.357 3.466 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCC3(CCC3)O2)cc1 ZINC000896918205 618985569 /nfs/dbraw/zinc/98/55/69/618985569.db2.gz MJBIBFOKWOGHEH-MRXNPFEDSA-N 1 0 304.390 3.219 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC2CCC=CCC2)c1[N+](=O)[O-] ZINC000897244512 619035979 /nfs/dbraw/zinc/03/59/79/619035979.db2.gz GLEFVIJBBHBOIM-UHFFFAOYSA-N 1 0 306.362 3.145 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000897461271 619130190 /nfs/dbraw/zinc/13/01/90/619130190.db2.gz ZAVHNDOEZSHDFB-LKCYKMOKSA-N 1 0 316.401 3.101 20 5 DGBDRO CCOc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897459666 619130212 /nfs/dbraw/zinc/13/02/12/619130212.db2.gz OCFHZPBMTICQPW-GFCCVEGCSA-N 1 0 304.346 3.480 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000897459904 619130335 /nfs/dbraw/zinc/13/03/35/619130335.db2.gz PIMBHLSEWSHJOD-QKPAOTATSA-N 1 0 318.417 3.493 20 5 DGBDRO Cc1nc2ccccn2c1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469553 619131660 /nfs/dbraw/zinc/13/16/60/619131660.db2.gz MLINWGICWPONGJ-ZDUSSCGKSA-N 1 0 324.384 3.444 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000897805031 619184115 /nfs/dbraw/zinc/18/41/15/619184115.db2.gz DGGJIRUJSJSQHP-ZDUSSCGKSA-N 1 0 321.421 3.062 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@@H](O)C3CC3)o2)c1 ZINC000898206865 619221267 /nfs/dbraw/zinc/22/12/67/619221267.db2.gz XIFWFXUKAPTVNN-MRXNPFEDSA-N 1 0 316.357 3.105 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000898388030 619270384 /nfs/dbraw/zinc/27/03/84/619270384.db2.gz VWYLPFKLXCVZHP-OBIQQPLYSA-N 1 0 324.380 3.246 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCOC1CCSCC1 ZINC000898442319 619276383 /nfs/dbraw/zinc/27/63/83/619276383.db2.gz MJNVYUVWCFANNG-HWKANZROSA-N 1 0 322.430 3.110 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1COc1ccc2c(c1)CC[NH2+]CC2 ZINC000899591874 619358830 /nfs/dbraw/zinc/35/88/30/619358830.db2.gz PGNNQGPKNLEEKQ-UHFFFAOYSA-N 1 0 316.332 3.001 20 5 DGBDRO C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000901643270 619527255 /nfs/dbraw/zinc/52/72/55/619527255.db2.gz SRLLLCFPVVVOGN-CYBMUJFWSA-N 1 0 314.389 3.442 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc2)c1 ZINC000902475987 619638511 /nfs/dbraw/zinc/63/85/11/619638511.db2.gz KYKNKMSPXSFBAP-QXCFHYIPSA-N 1 0 323.396 3.167 20 5 DGBDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000902775825 619673997 /nfs/dbraw/zinc/67/39/97/619673997.db2.gz CMAXXJCCGRAVRL-UONOGXRCSA-N 1 0 308.378 3.041 20 5 DGBDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000902775824 619674091 /nfs/dbraw/zinc/67/40/91/619674091.db2.gz CMAXXJCCGRAVRL-KGLIPLIRSA-N 1 0 308.378 3.041 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(O)cc2)cc([N+](=O)[O-])c1 ZINC000903081070 619712585 /nfs/dbraw/zinc/71/25/85/619712585.db2.gz SAZWGHDDKMWFFO-GFCCVEGCSA-N 1 0 316.357 3.202 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903131953 619722469 /nfs/dbraw/zinc/72/24/69/619722469.db2.gz LYOGDMQSXFCLOU-WBMJQRKESA-N 1 0 322.405 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc([N+](=O)[O-])c1 ZINC000903154753 619726400 /nfs/dbraw/zinc/72/64/00/619726400.db2.gz VLRBDDAJLSQLQN-SMDDNHRTSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903148028 619728888 /nfs/dbraw/zinc/72/88/88/619728888.db2.gz PDAATQYLPAEPCT-IHRRRGAJSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]Cc2ccnc(C)c2)cc([N+](=O)[O-])c1 ZINC000903177382 619730673 /nfs/dbraw/zinc/73/06/73/619730673.db2.gz MDHBNGFOWOOMFL-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC2(OC)CCCC2)cc([N+](=O)[O-])c1 ZINC000903178297 619731024 /nfs/dbraw/zinc/73/10/24/619731024.db2.gz WIUNSXMKNVUDQO-GFCCVEGCSA-N 1 0 308.378 3.213 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1[N+](=O)[O-] ZINC000903180723 619731259 /nfs/dbraw/zinc/73/12/59/619731259.db2.gz IMMDDGPZWJGAAE-KWBADKCTSA-N 1 0 318.295 3.355 20 5 DGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903182685 619731841 /nfs/dbraw/zinc/73/18/41/619731841.db2.gz FDPBLENZKHHMDC-HFBAOOFYSA-N 1 0 308.378 3.212 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000903189306 619737171 /nfs/dbraw/zinc/73/71/71/619737171.db2.gz AMLQZZQATCBZEK-RLCCDNCMSA-N 1 0 310.394 3.050 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](CO)CCC(C)C)cc([N+](=O)[O-])c1 ZINC000903208125 619739016 /nfs/dbraw/zinc/73/90/16/619739016.db2.gz ZTOZDIALKDELNP-JSGCOSHPSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC[C@@H](O)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000903214537 619739667 /nfs/dbraw/zinc/73/96/67/619739667.db2.gz VWEIUFPINHDSFJ-SJKOYZFVSA-N 1 0 322.405 3.195 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)cc([N+](=O)[O-])c1 ZINC000903220103 619740940 /nfs/dbraw/zinc/74/09/40/619740940.db2.gz KJKCPVLFZOJWOJ-DOMZBBRYSA-N 1 0 320.389 3.356 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccccc1[N+](=O)[O-] ZINC000903244768 619743296 /nfs/dbraw/zinc/74/32/96/619743296.db2.gz CZJCQENYIAKVBO-RYUDHWBXSA-N 1 0 301.346 3.150 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC2(C3(O)CCC3)CC2)cc1[N+](=O)[O-] ZINC000903260919 619747112 /nfs/dbraw/zinc/74/71/12/619747112.db2.gz YGSGGKMBOBWHPV-ZDUSSCGKSA-N 1 0 304.390 3.249 20 5 DGBDRO Cc1ncc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000903288194 619754414 /nfs/dbraw/zinc/75/44/14/619754414.db2.gz UMTKPKHZURBPFD-MNOVXSKESA-N 1 0 300.362 3.413 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)c1cncs1 ZINC000903306202 619756465 /nfs/dbraw/zinc/75/64/65/619756465.db2.gz VXKZGJOANLRPBA-NXEZZACHSA-N 1 0 309.366 3.472 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000903397191 619767398 /nfs/dbraw/zinc/76/73/98/619767398.db2.gz OQKVXNPRBAHGFO-GOSISDBHSA-N 1 0 314.385 3.371 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC12CCCC2 ZINC000903388978 619770536 /nfs/dbraw/zinc/77/05/36/619770536.db2.gz NQTCXVQDBYXNFY-BLLLJJGKSA-N 1 0 322.380 3.356 20 5 DGBDRO C[C@H](NCc1ccc(CCO)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000903402872 619773933 /nfs/dbraw/zinc/77/39/33/619773933.db2.gz HGOMVRRUSZAINY-LBPRGKRZSA-N 1 0 318.348 3.120 20 5 DGBDRO CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1[NH3+] ZINC000903984464 619851948 /nfs/dbraw/zinc/85/19/48/619851948.db2.gz BWYHRZNKBGCDID-INIZCTEOSA-N 1 0 315.373 3.024 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@@H]2CCCC2(F)F)c1 ZINC000905416612 619995956 /nfs/dbraw/zinc/99/59/56/619995956.db2.gz ARCVRQKSQGGVLC-JSGCOSHPSA-N 1 0 314.332 3.043 20 5 DGBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000905643877 620016291 /nfs/dbraw/zinc/01/62/91/620016291.db2.gz NYYDWWIRAUDKCO-SJCJKPOMSA-N 1 0 318.348 3.161 20 5 DGBDRO CC(C)(C)[NH2+]CCC(=O)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC000906032616 620051844 /nfs/dbraw/zinc/05/18/44/620051844.db2.gz QUEFWDRNIHQJDZ-UHFFFAOYSA-N 1 0 319.405 3.042 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1-c1cnc([C@@H]2CCCC[NH2+]2)nc1 ZINC000906172817 620064890 /nfs/dbraw/zinc/06/48/90/620064890.db2.gz LXSPMQJGDWBYQA-ZDUSSCGKSA-N 1 0 302.309 3.006 20 5 DGBDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000764643356 620575868 /nfs/dbraw/zinc/57/58/68/620575868.db2.gz WUOIVTIDGKYISI-SJLPKXTDSA-N 1 0 314.385 3.239 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000922315803 621022779 /nfs/dbraw/zinc/02/27/79/621022779.db2.gz GRATXSXTWOTIIP-OWCLPIDISA-N 1 0 304.390 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c(F)c1 ZINC000856805831 621024096 /nfs/dbraw/zinc/02/40/96/621024096.db2.gz XCKGJXQAJMQGFY-VIFPVBQESA-N 1 0 307.152 3.407 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000922481180 621042319 /nfs/dbraw/zinc/04/23/19/621042319.db2.gz QGAVAPFUDDZQAX-UHFFFAOYSA-N 1 0 324.384 3.388 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000922540065 621053654 /nfs/dbraw/zinc/05/36/54/621053654.db2.gz GHEFZAMNZAADAJ-GFCCVEGCSA-N 1 0 300.362 3.367 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922676547 621079179 /nfs/dbraw/zinc/07/91/79/621079179.db2.gz AXUBXKCYCUQFHI-YPMHNXCESA-N 1 0 318.295 3.184 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc2c1OCC2 ZINC000922940416 621135008 /nfs/dbraw/zinc/13/50/08/621135008.db2.gz AWGKCWPXFUXCRG-UHFFFAOYSA-N 1 0 312.369 3.436 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2([C@H]3CCCCO3)CC2)c1 ZINC000923028212 621148105 /nfs/dbraw/zinc/14/81/05/621148105.db2.gz VJBKVOFHWPNWSM-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccnc(F)c1)C1CC1 ZINC000859202304 621259526 /nfs/dbraw/zinc/25/95/26/621259526.db2.gz VIBHULMISZKTRP-UHFFFAOYSA-N 1 0 301.321 3.294 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103457462 621377951 /nfs/dbraw/zinc/37/79/51/621377951.db2.gz JAJNUHHOFMAOCA-CYBMUJFWSA-N 1 0 300.362 3.148 20 5 DGBDRO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839464941 621378704 /nfs/dbraw/zinc/37/87/04/621378704.db2.gz MABZUIAQXANOLT-UHFFFAOYSA-N 1 0 311.769 3.060 20 5 DGBDRO C[C@H]([NH2+]C1(C2CC2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000754359817 621505467 /nfs/dbraw/zinc/50/54/67/621505467.db2.gz ZZKPGXYECZSXEO-VIFPVBQESA-N 1 0 323.780 3.107 20 5 DGBDRO CCCCCC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118303176 621518467 /nfs/dbraw/zinc/51/84/67/621518467.db2.gz PYWYBOWMEFANNL-UHFFFAOYSA-N 1 0 307.394 3.354 20 5 DGBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000862547753 621600454 /nfs/dbraw/zinc/60/04/54/621600454.db2.gz NTIYGQVONOJABC-DKTWLAJQSA-N 1 0 319.188 3.416 20 5 DGBDRO CCC(F)(F)C(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863578714 621684923 /nfs/dbraw/zinc/68/49/23/621684923.db2.gz UAMPISUDIMRTHU-CYBMUJFWSA-N 1 0 316.348 3.289 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2c(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1 ZINC000863654734 621694337 /nfs/dbraw/zinc/69/43/37/621694337.db2.gz MGQXLFWBSKQTBI-GFCCVEGCSA-N 1 0 324.340 3.265 20 5 DGBDRO C[NH+]1CCC2(CCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000789558901 625525616 /nfs/dbraw/zinc/52/56/16/625525616.db2.gz DWVQONPYPXANMN-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865696707 621979464 /nfs/dbraw/zinc/97/94/64/621979464.db2.gz SZDFQFNKGBTBJJ-MLHLAECQSA-N 1 0 314.385 3.011 20 5 DGBDRO CCC1CC[NH+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000761287778 621999261 /nfs/dbraw/zinc/99/92/61/621999261.db2.gz FFXNRSWFWCAEBR-UHFFFAOYSA-N 1 0 302.378 3.332 20 5 DGBDRO C[NH+](C)C1(C)CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000866148867 622055420 /nfs/dbraw/zinc/05/54/20/622055420.db2.gz XXAQKHMPPCJPMF-UHFFFAOYSA-N 1 0 312.801 3.318 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccn1 ZINC000866214377 622067358 /nfs/dbraw/zinc/06/73/58/622067358.db2.gz NXBTVBZCKMVZFG-NWDGAFQWSA-N 1 0 303.337 3.411 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866260738 622078705 /nfs/dbraw/zinc/07/87/05/622078705.db2.gz WQKYRLYBMJSZSC-DLBZAZTESA-N 1 0 320.389 3.041 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866264629 622079703 /nfs/dbraw/zinc/07/97/03/622079703.db2.gz CAHRMKZYTNYIFX-MKBNYLNASA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CCSCC1 ZINC000866265366 622079912 /nfs/dbraw/zinc/07/99/12/622079912.db2.gz KGAKIWHBZBCSLX-LLVKDONJSA-N 1 0 312.410 3.398 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCNc1ccccc1 ZINC000866282859 622084805 /nfs/dbraw/zinc/08/48/05/622084805.db2.gz RSFGEMOKJJBGLF-ZDUSSCGKSA-N 1 0 317.364 3.367 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1[N+](=O)[O-] ZINC000762614596 622086579 /nfs/dbraw/zinc/08/65/79/622086579.db2.gz OVHOTKVTIKGKOR-VHDGCEQUSA-N 1 0 324.471 3.372 20 5 DGBDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866313687 622091464 /nfs/dbraw/zinc/09/14/64/622091464.db2.gz GHAZFOUKLRKPFR-WBMJQRKESA-N 1 0 324.396 3.052 20 5 DGBDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866313685 622091603 /nfs/dbraw/zinc/09/16/03/622091603.db2.gz GHAZFOUKLRKPFR-LRDDRELGSA-N 1 0 324.396 3.052 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[C@H]1CCOC1 ZINC000866368356 622104501 /nfs/dbraw/zinc/10/45/01/622104501.db2.gz AVPYZTWBYRGUIW-STQMWFEESA-N 1 0 310.369 3.071 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000866371666 622104980 /nfs/dbraw/zinc/10/49/80/622104980.db2.gz MJNNLUAZCNOKNB-VXGBXAGGSA-N 1 0 320.368 3.232 20 5 DGBDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866373237 622105807 /nfs/dbraw/zinc/10/58/07/622105807.db2.gz MHVXUHVBFHJZKD-PRXAMGSTSA-N 1 0 324.396 3.458 20 5 DGBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000866378412 622106601 /nfs/dbraw/zinc/10/66/01/622106601.db2.gz PYFCQDCAIOOPKX-TUKIKUTGSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866387026 622108277 /nfs/dbraw/zinc/10/82/77/622108277.db2.gz KIUHZFZUVUYQKL-QWHCGFSZSA-N 1 0 317.364 3.281 20 5 DGBDRO Cc1ccncc1CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866386760 622108385 /nfs/dbraw/zinc/10/83/85/622108385.db2.gz JPMRGQMSBYDURP-ZDUSSCGKSA-N 1 0 317.364 3.201 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCc1ccco1 ZINC000866391825 622109216 /nfs/dbraw/zinc/10/92/16/622109216.db2.gz QLNWHWPOGFZPAD-GFCCVEGCSA-N 1 0 306.337 3.480 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC1(C)C ZINC000866391964 622109219 /nfs/dbraw/zinc/10/92/19/622109219.db2.gz ULEIMAXKVQYIOF-AAEUAGOBSA-N 1 0 310.369 3.070 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(F)c2)cc1[N+](=O)[O-] ZINC000866472886 622123801 /nfs/dbraw/zinc/12/38/01/622123801.db2.gz GBRLBMABSJKDLD-LLVKDONJSA-N 1 0 319.336 3.378 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(F)c1)CCC2 ZINC000866475412 622124325 /nfs/dbraw/zinc/12/43/25/622124325.db2.gz YKOMVVWEISJSLU-HNNXBMFYSA-N 1 0 301.321 3.296 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866532246 622133531 /nfs/dbraw/zinc/13/35/31/622133531.db2.gz VOEMHIFYHHDGQW-TZMCWYRMSA-N 1 0 319.405 3.034 20 5 DGBDRO CCCN(CC[NH+](CC)CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000763931460 622169704 /nfs/dbraw/zinc/16/97/04/622169704.db2.gz HBKPWZPZYRNAIT-UHFFFAOYSA-N 1 0 311.401 3.288 20 5 DGBDRO Cc1nn(C[N@@H+](CC2CC2)C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764887703 622229827 /nfs/dbraw/zinc/22/98/27/622229827.db2.gz YVVQBQQTSMUFRN-UHFFFAOYSA-N 1 0 302.378 3.331 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764970971 622236629 /nfs/dbraw/zinc/23/66/29/622236629.db2.gz LCYYDOKVJYXZSE-HNNXBMFYSA-N 1 0 300.362 3.085 20 5 DGBDRO Cc1nn(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000765062043 622243197 /nfs/dbraw/zinc/24/31/97/622243197.db2.gz ZGZXOWIHGZRKCK-KBPBESRZSA-N 1 0 314.389 3.332 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000765263299 622255543 /nfs/dbraw/zinc/25/55/43/622255543.db2.gz UIUYISWBIQSYAV-JKSUJKDBSA-N 1 0 322.405 3.287 20 5 DGBDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000765263296 622255649 /nfs/dbraw/zinc/25/56/49/622255649.db2.gz UIUYISWBIQSYAV-HOTGVXAUSA-N 1 0 322.405 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000766223922 622313421 /nfs/dbraw/zinc/31/34/21/622313421.db2.gz JXALIGYBQRPHKM-OAHLLOKOSA-N 1 0 323.824 3.355 20 5 DGBDRO CCC[NH+]1CCC(Nc2cccc([N+](=O)[O-])c2C(C)=O)CC1 ZINC000881773368 625560646 /nfs/dbraw/zinc/56/06/46/625560646.db2.gz HWPAXSPNNRLDGG-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000767722839 622418704 /nfs/dbraw/zinc/41/87/04/622418704.db2.gz MTOLGHGDKIMTKW-OAHLLOKOSA-N 1 0 324.739 3.211 20 5 DGBDRO CCCC[N@H+](C)CC1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881828987 625571359 /nfs/dbraw/zinc/57/13/59/625571359.db2.gz QDBFPELCOUGKPP-UHFFFAOYSA-N 1 0 324.400 3.077 20 5 DGBDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872023862 622757223 /nfs/dbraw/zinc/75/72/23/622757223.db2.gz WIPFZAFYTSIFGF-UBHSHLNASA-N 1 0 307.369 3.011 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000872024613 622757671 /nfs/dbraw/zinc/75/76/71/622757671.db2.gz UKUAXSGUBSTAGC-RYUDHWBXSA-N 1 0 309.435 3.062 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000872024836 622757831 /nfs/dbraw/zinc/75/78/31/622757831.db2.gz WJZPQYJRPPJVNQ-NWDGAFQWSA-N 1 0 312.435 3.374 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000872024829 622758019 /nfs/dbraw/zinc/75/80/19/622758019.db2.gz WFQCGXIPVXXBSJ-RYUDHWBXSA-N 1 0 310.419 3.394 20 5 DGBDRO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025219 622758872 /nfs/dbraw/zinc/75/88/72/622758872.db2.gz IKUVZCXBDHZCGR-RWMBFGLXSA-N 1 0 307.369 3.011 20 5 DGBDRO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026167 622759999 /nfs/dbraw/zinc/75/99/99/622759999.db2.gz YKABPRKGIINMRS-QWHCGFSZSA-N 1 0 323.462 3.309 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CCOCC1 ZINC000872031655 622763191 /nfs/dbraw/zinc/76/31/91/622763191.db2.gz SEMCXJSTASFKIZ-NSHDSACASA-N 1 0 310.419 3.394 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)CCCC1 ZINC000872035460 622766037 /nfs/dbraw/zinc/76/60/37/622766037.db2.gz MSXIVUOHICOQPX-NSHDSACASA-N 1 0 310.419 3.272 20 5 DGBDRO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040847 622769436 /nfs/dbraw/zinc/76/94/36/622769436.db2.gz NSVZKKPDDGINDX-STQMWFEESA-N 1 0 312.385 3.429 20 5 DGBDRO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040842 622769565 /nfs/dbraw/zinc/76/95/65/622769565.db2.gz NSVZKKPDDGINDX-CHWSQXEVSA-N 1 0 312.385 3.429 20 5 DGBDRO C[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042052 622770602 /nfs/dbraw/zinc/77/06/02/622770602.db2.gz MIJZDQNBAOUOLA-SRVKXCTJSA-N 1 0 307.369 3.010 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCC(F)F ZINC000872064238 622784991 /nfs/dbraw/zinc/78/49/91/622784991.db2.gz DLOLTYYKZFESKM-SECBINFHSA-N 1 0 320.361 3.249 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000872066617 622786564 /nfs/dbraw/zinc/78/65/64/622786564.db2.gz OLZASYUKRKQBIH-MJVIPROJSA-N 1 0 310.419 3.392 20 5 DGBDRO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872066138 622786787 /nfs/dbraw/zinc/78/67/87/622786787.db2.gz FJYQDDZHVMUKIG-LBPRGKRZSA-N 1 0 322.380 3.327 20 5 DGBDRO Cc1cccnc1CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076197 622792400 /nfs/dbraw/zinc/79/24/00/622792400.db2.gz JMKDKKUZGLMFSC-GFCCVEGCSA-N 1 0 303.337 3.331 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000872084739 622796558 /nfs/dbraw/zinc/79/65/58/622796558.db2.gz KMSOGZDAALLMFM-IINYFYTJSA-N 1 0 310.419 3.128 20 5 DGBDRO C[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872085626 622797227 /nfs/dbraw/zinc/79/72/27/622797227.db2.gz QCUKDLURFHHHPR-NWANDNLSSA-N 1 0 321.396 3.401 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872092873 622801024 /nfs/dbraw/zinc/80/10/24/622801024.db2.gz RKSHEIXOVKUTMY-MPKXVKKWSA-N 1 0 310.369 3.324 20 5 DGBDRO C[C@H]([NH2+]CC[C@H](O)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872096437 622804481 /nfs/dbraw/zinc/80/44/81/622804481.db2.gz ZXFZAGVPAAGLAT-NHYWBVRUSA-N 1 0 310.369 3.326 20 5 DGBDRO COCC(C)(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000872104409 622806951 /nfs/dbraw/zinc/80/69/51/622806951.db2.gz DHTYTIUYUDOPTM-LBPRGKRZSA-N 1 0 310.394 3.317 20 5 DGBDRO CC(C)OC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000872115401 622815630 /nfs/dbraw/zinc/81/56/30/622815630.db2.gz KJZXQQGWQIKVSI-GFCCVEGCSA-N 1 0 307.394 3.175 20 5 DGBDRO Cc1cnc(N2CCC(C)([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000872662951 622949497 /nfs/dbraw/zinc/94/94/97/622949497.db2.gz BKCJEVRSMIWAIS-UHFFFAOYSA-N 1 0 318.421 3.143 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)C1CC1 ZINC000773011971 622966038 /nfs/dbraw/zinc/96/60/38/622966038.db2.gz JTKBICCFNYNZRJ-KBPBESRZSA-N 1 0 324.446 3.216 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC1CC[NH+](CC2CC2)CC1 ZINC000873016319 623017527 /nfs/dbraw/zinc/01/75/27/623017527.db2.gz JOENDMPCKKUMQS-UHFFFAOYSA-N 1 0 317.433 3.176 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc2c1OCO2 ZINC000873020170 623019080 /nfs/dbraw/zinc/01/90/80/623019080.db2.gz HYYZVSXKEGKEFM-UHFFFAOYSA-N 1 0 314.341 3.230 20 5 DGBDRO COc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1O ZINC000873036234 623022354 /nfs/dbraw/zinc/02/23/54/623022354.db2.gz PZYZEHQKYVWJIP-UHFFFAOYSA-N 1 0 316.357 3.216 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)c1ccccc1C ZINC000873051905 623026242 /nfs/dbraw/zinc/02/62/42/623026242.db2.gz PVPULEGDIXXDEA-GOSISDBHSA-N 1 0 314.385 3.343 20 5 DGBDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)o1 ZINC000873060556 623027722 /nfs/dbraw/zinc/02/77/22/623027722.db2.gz ITJRXBRVUMEJBL-KRWDZBQOSA-N 1 0 318.373 3.110 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CSCCS1 ZINC000873073895 623031371 /nfs/dbraw/zinc/03/13/71/623031371.db2.gz FVKJIZMWFALFIW-GFCCVEGCSA-N 1 0 312.460 3.150 20 5 DGBDRO Cc1cccc([C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000873080508 623032489 /nfs/dbraw/zinc/03/24/89/623032489.db2.gz QFWRHTUUISSEAV-KRWDZBQOSA-N 1 0 300.358 3.035 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000873097894 623036089 /nfs/dbraw/zinc/03/60/89/623036089.db2.gz YJETVUZIANIHDF-NHYWBVRUSA-N 1 0 304.346 3.098 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000873107697 623036655 /nfs/dbraw/zinc/03/66/55/623036655.db2.gz PUDQJDYHIOTMFV-RHSMWYFYSA-N 1 0 304.390 3.259 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873126474 623042084 /nfs/dbraw/zinc/04/20/84/623042084.db2.gz HPWBIRKMDXYJRQ-GUYCJALGSA-N 1 0 300.358 3.115 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000873132882 623043481 /nfs/dbraw/zinc/04/34/81/623043481.db2.gz JKMRNSNCBNOPEL-SJORKVTESA-N 1 0 304.390 3.341 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000873137287 623046781 /nfs/dbraw/zinc/04/67/81/623046781.db2.gz UIEKVCQYCCJZSE-FUHWJXTLSA-N 1 0 312.369 3.480 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873156319 623054530 /nfs/dbraw/zinc/05/45/30/623054530.db2.gz UPFYKILCDJHBOF-GRDNDAEWSA-N 1 0 304.390 3.259 20 5 DGBDRO COCC1(C)CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000773728595 623064949 /nfs/dbraw/zinc/06/49/49/623064949.db2.gz WJLMRSVEKDITDJ-UHFFFAOYSA-N 1 0 312.797 3.497 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C2CC(Nc3ccccc3)C2)cs1 ZINC000873191951 623068717 /nfs/dbraw/zinc/06/87/17/623068717.db2.gz ZMNGWEDCKGARLS-UHFFFAOYSA-N 1 0 303.387 3.389 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000873193998 623069224 /nfs/dbraw/zinc/06/92/24/623069224.db2.gz PWWPBMBNCMGQTD-IAGOWNOFSA-N 1 0 300.358 3.197 20 5 DGBDRO Nc1cc(F)cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000873288813 623104405 /nfs/dbraw/zinc/10/44/05/623104405.db2.gz LZWZWOCITQEIOE-KRWDZBQOSA-N 1 0 315.348 3.483 20 5 DGBDRO CCc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000774188926 623118150 /nfs/dbraw/zinc/11/81/50/623118150.db2.gz KQTZSPQODIPCSE-INIZCTEOSA-N 1 0 300.362 3.048 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000129438244 625627745 /nfs/dbraw/zinc/62/77/45/625627745.db2.gz XQYVEOPAFQXEHC-MRXNPFEDSA-N 1 0 306.406 3.324 20 5 DGBDRO CCC[C@H]([NH2+]C[C@H](O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000125199054 623381935 /nfs/dbraw/zinc/38/19/35/623381935.db2.gz XVDADVCFOCXGML-GJZGRUSLSA-N 1 0 304.346 3.352 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCc3ccccc3C2)cc1 ZINC000776583239 623443450 /nfs/dbraw/zinc/44/34/50/623443450.db2.gz ZFRINFHSBFSNNS-GOSISDBHSA-N 1 0 312.369 3.077 20 5 DGBDRO C[C@H](C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776581885 623443489 /nfs/dbraw/zinc/44/34/89/623443489.db2.gz OINDBKKVYOWWMA-KDOFPFPSSA-N 1 0 314.385 3.364 20 5 DGBDRO C[C@H](c1ccco1)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776590085 623444331 /nfs/dbraw/zinc/44/43/31/623444331.db2.gz BYXTZSXXANYEPB-MLGOLLRUSA-N 1 0 316.357 3.447 20 5 DGBDRO C[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590344 623445415 /nfs/dbraw/zinc/44/54/15/623445415.db2.gz ZVCQAIZGGADQNO-SCLBCKFNSA-N 1 0 312.369 3.075 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC[C@H]3C3CC3)c2)c1 ZINC000777956225 623589689 /nfs/dbraw/zinc/58/96/89/623589689.db2.gz GHKZYHNBBHRTPK-KRWDZBQOSA-N 1 0 312.373 3.290 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956482 623590276 /nfs/dbraw/zinc/59/02/76/623590276.db2.gz MALDUKPDLVCXQA-OAHLLOKOSA-N 1 0 300.362 3.290 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000876779648 623703602 /nfs/dbraw/zinc/70/36/02/623703602.db2.gz AWPIIHPIFDLBLG-CABCVRRESA-N 1 0 304.390 3.070 20 5 DGBDRO C[C@@H]1C[C@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000778994777 623717613 /nfs/dbraw/zinc/71/76/13/623717613.db2.gz KTYOUQUNNOXBDT-VXGBXAGGSA-N 1 0 312.797 3.495 20 5 DGBDRO C[C@H](CCc1ccccc1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876893316 623738421 /nfs/dbraw/zinc/73/84/21/623738421.db2.gz FZZSDPKTNHMQMY-IUDNXUCKSA-N 1 0 314.389 3.106 20 5 DGBDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000876942375 623750523 /nfs/dbraw/zinc/75/05/23/623750523.db2.gz XRHGEOFZQNOZCX-LAJNKCICSA-N 1 0 314.322 3.407 20 5 DGBDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000876942374 623750538 /nfs/dbraw/zinc/75/05/38/623750538.db2.gz XRHGEOFZQNOZCX-GTJPDFRWSA-N 1 0 314.322 3.407 20 5 DGBDRO CC(C)(C)SCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877016397 623766490 /nfs/dbraw/zinc/76/64/90/623766490.db2.gz FUGAZMDCDIKTGT-UHFFFAOYSA-N 1 0 309.391 3.357 20 5 DGBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877021581 623768264 /nfs/dbraw/zinc/76/82/64/623768264.db2.gz VLWUSTGKJFEBIC-DNDYEEKYSA-N 1 0 306.410 3.299 20 5 DGBDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877068396 623782602 /nfs/dbraw/zinc/78/26/02/623782602.db2.gz QMWQQJPPZQKJHQ-MWLCHTKSSA-N 1 0 307.375 3.110 20 5 DGBDRO CCS[C@@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877086276 623788500 /nfs/dbraw/zinc/78/85/00/623788500.db2.gz ZYIDNUFCKDUAMK-LFUGVXIPSA-N 1 0 324.450 3.149 20 5 DGBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(F)c1F ZINC000877117753 623794999 /nfs/dbraw/zinc/79/49/99/623794999.db2.gz TZXOSJBJPDFFFI-KPPDAEKUSA-N 1 0 322.315 3.124 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C(C3CCC3)C3CCC3)C2)c1 ZINC000877517891 623920982 /nfs/dbraw/zinc/92/09/82/623920982.db2.gz BUZNTJCBJKCHNW-UHFFFAOYSA-N 1 0 304.394 3.053 20 5 DGBDRO CC1(C)CCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877574893 623948017 /nfs/dbraw/zinc/94/80/17/623948017.db2.gz YSFWOZKSUJTIDY-HSBZDZAISA-N 1 0 306.410 3.301 20 5 DGBDRO CC1(C)CCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877574894 623948121 /nfs/dbraw/zinc/94/81/21/623948121.db2.gz YSFWOZKSUJTIDY-IYXRBSQSSA-N 1 0 306.410 3.301 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000877573463 623948751 /nfs/dbraw/zinc/94/87/51/623948751.db2.gz RKWLYWRVUQCKHD-CQSZACIVSA-N 1 0 306.406 3.195 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC(Nc3ccc4c[nH+]ccc4c3)C2)c1 ZINC000877578185 623950870 /nfs/dbraw/zinc/95/08/70/623950870.db2.gz XTQPSCMELICZKV-UHFFFAOYSA-N 1 0 309.329 3.155 20 5 DGBDRO COCC1(C2CC2)C[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877685563 623991958 /nfs/dbraw/zinc/99/19/58/623991958.db2.gz BNHAFINMFIYJGC-UHFFFAOYSA-N 1 0 304.390 3.070 20 5 DGBDRO C[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000877701122 623996747 /nfs/dbraw/zinc/99/67/47/623996747.db2.gz KVGBGWJPCBRRQJ-SOFGYWHQSA-N 1 0 303.406 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000877739599 624012821 /nfs/dbraw/zinc/01/28/21/624012821.db2.gz ORAKWRIHMJTAIC-PWSUYJOCSA-N 1 0 312.822 3.433 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877741476 624014063 /nfs/dbraw/zinc/01/40/63/624014063.db2.gz VWSKWCAIFAWCQF-SZWGIHMLSA-N 1 0 304.415 3.293 20 5 DGBDRO CC[C@@H](C(=O)OCc1ccc([N+](=O)[O-])c(C)c1)[NH+](CC)CC ZINC000781170413 624034058 /nfs/dbraw/zinc/03/40/58/624034058.db2.gz OLUJBKJEYOLKTO-AWEZNQCLSA-N 1 0 308.378 3.067 20 5 DGBDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000877823423 624054612 /nfs/dbraw/zinc/05/46/12/624054612.db2.gz ZCYGIROMIHUEMP-CQSZACIVSA-N 1 0 320.389 3.068 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000877835070 624063674 /nfs/dbraw/zinc/06/36/74/624063674.db2.gz GCQCTANMBTVOMW-AWEZNQCLSA-N 1 0 306.406 3.311 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2C2CC2)o1 ZINC000878050575 624149807 /nfs/dbraw/zinc/14/98/07/624149807.db2.gz YALKQIWBBBXXKZ-ZDUSSCGKSA-N 1 0 314.345 3.019 20 5 DGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878128583 624180936 /nfs/dbraw/zinc/18/09/36/624180936.db2.gz ANNXMTAESKLHBL-NWDGAFQWSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878332386 624247155 /nfs/dbraw/zinc/24/71/55/624247155.db2.gz NYBBQKQTRCANIP-VXGBXAGGSA-N 1 0 316.361 3.123 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782477227 624255807 /nfs/dbraw/zinc/25/58/07/624255807.db2.gz KFRQYXVJVVHOMF-LLVKDONJSA-N 1 0 311.357 3.183 20 5 DGBDRO C[NH+](C)C1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000783592983 624372724 /nfs/dbraw/zinc/37/27/24/624372724.db2.gz QFMWKKIYCFKJAI-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783626924 624376468 /nfs/dbraw/zinc/37/64/68/624376468.db2.gz CRDFVZFPBGBJQU-IINYFYTJSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CCCCC2)cc1Cl ZINC000783639982 624378067 /nfs/dbraw/zinc/37/80/67/624378067.db2.gz XKAOOPZVRHPOGE-AWEZNQCLSA-N 1 0 312.797 3.279 20 5 DGBDRO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783636988 624378404 /nfs/dbraw/zinc/37/84/04/624378404.db2.gz ARPNXCTUESFOFN-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000783778799 624395467 /nfs/dbraw/zinc/39/54/67/624395467.db2.gz SCENKCQWTINOSB-TUAOUCFPSA-N 1 0 324.352 3.038 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000879242290 624458691 /nfs/dbraw/zinc/45/86/91/624458691.db2.gz YOOSHQRYPANVDM-QZTJIDSGSA-N 1 0 312.369 3.293 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@H]3CSC[C@H]3C2)c(F)c1 ZINC000879566364 624592930 /nfs/dbraw/zinc/59/29/30/624592930.db2.gz UOAHAKFZBVWFBK-VHSXEESVSA-N 1 0 314.357 3.058 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879733377 624656007 /nfs/dbraw/zinc/65/60/07/624656007.db2.gz UIBJRPYTVOLLFH-INIZCTEOSA-N 1 0 320.389 3.055 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)cc1F ZINC000879735029 624657625 /nfs/dbraw/zinc/65/76/25/624657625.db2.gz RJIPQTVHOONYOJ-HNNXBMFYSA-N 1 0 308.353 3.315 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](C(F)(F)F)CC1 ZINC000880047700 624766206 /nfs/dbraw/zinc/76/62/06/624766206.db2.gz WVVCGOFLJCYGCZ-MFKMUULPSA-N 1 0 318.295 3.309 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000786808560 624955352 /nfs/dbraw/zinc/95/53/52/624955352.db2.gz KAMOHAJSPDVLIN-RXEWJAMOSA-N 1 0 312.369 3.321 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)c1ccccc1 ZINC000786808556 624955585 /nfs/dbraw/zinc/95/55/85/624955585.db2.gz KAMOHAJSPDVLIN-BLSFAOBESA-N 1 0 312.369 3.321 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)c1ccsc1 ZINC000786813867 624955942 /nfs/dbraw/zinc/95/59/42/624955942.db2.gz NGTCQUAEOWGULN-NYUWMOHMSA-N 1 0 318.398 3.383 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC[C@@H]1C ZINC000786818466 624956280 /nfs/dbraw/zinc/95/62/80/624956280.db2.gz YSFUMAXFDSFREA-SZGZABIGSA-N 1 0 303.406 3.072 20 5 DGBDRO C[C@@H]1CC[C@H](CO)N1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000880444004 624957791 /nfs/dbraw/zinc/95/77/91/624957791.db2.gz PHDYMOGXVWTSHF-LDYMZIIASA-N 1 0 319.188 3.247 20 5 DGBDRO CC1([NH+]2CCC2)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000880474412 624964565 /nfs/dbraw/zinc/96/45/65/624964565.db2.gz GZAZKHRREDYDPX-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000788527742 625206723 /nfs/dbraw/zinc/20/67/23/625206723.db2.gz OZHUWYYUJBXQPR-MCIONIFRSA-N 1 0 320.437 3.091 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562034 625216919 /nfs/dbraw/zinc/21/69/19/625216919.db2.gz FIOLIQKWQMFBFM-SECBINFHSA-N 1 0 307.300 3.306 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H](CCO)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000788594169 625221730 /nfs/dbraw/zinc/22/17/30/625221730.db2.gz ZWYYZTNNAYOUGY-HOTGVXAUSA-N 1 0 304.390 3.068 20 5 DGBDRO CCC1([NH+]2CCCCC2)CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000882816918 625825373 /nfs/dbraw/zinc/82/53/73/625825373.db2.gz HBADHZBIHSOOFT-UHFFFAOYSA-N 1 0 324.450 3.286 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1F ZINC000130361136 625842350 /nfs/dbraw/zinc/84/23/50/625842350.db2.gz SHQMRUAFHNLKKF-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796428175 626048992 /nfs/dbraw/zinc/04/89/92/626048992.db2.gz HSUIMNYDPRFEJL-WFASDCNBSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000796481046 626054721 /nfs/dbraw/zinc/05/47/21/626054721.db2.gz HALUSYXAPPTCLM-PXAZEXFGSA-N 1 0 318.348 3.254 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(F)(F)CC2)cc1 ZINC000796540400 626060276 /nfs/dbraw/zinc/06/02/76/626060276.db2.gz VFNYGUIWUYQHDU-UHFFFAOYSA-N 1 0 300.305 3.095 20 5 DGBDRO Cc1cc(N2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000798404219 626215462 /nfs/dbraw/zinc/21/54/62/626215462.db2.gz GHKRQWHUEGNHBU-UHFFFAOYSA-N 1 0 303.406 3.215 20 5 DGBDRO C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000799728048 626324807 /nfs/dbraw/zinc/32/48/07/626324807.db2.gz FAJTYLDZAYZROS-YOEHRIQHSA-N 1 0 314.385 3.239 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000800847716 626379254 /nfs/dbraw/zinc/37/92/54/626379254.db2.gz HYGLZGIZIPJRJM-CQSZACIVSA-N 1 0 306.410 3.244 20 5 DGBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801519475 626407461 /nfs/dbraw/zinc/40/74/61/626407461.db2.gz OWIMEYUYAJTJGY-ZBFHGGJFSA-N 1 0 310.369 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2cccs2)cc1F ZINC000801539677 626408803 /nfs/dbraw/zinc/40/88/03/626408803.db2.gz MLWFFRRBXXROFR-LBPRGKRZSA-N 1 0 310.350 3.009 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)cc1F ZINC000801539697 626408872 /nfs/dbraw/zinc/40/88/72/626408872.db2.gz NCCSZNNMBBULKC-INIZCTEOSA-N 1 0 301.321 3.370 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[C@H](C)C1 ZINC000801548654 626409243 /nfs/dbraw/zinc/40/92/43/626409243.db2.gz KQEMGIRNVVDQDF-JSGCOSHPSA-N 1 0 310.369 3.371 20 5 DGBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801548284 626409329 /nfs/dbraw/zinc/40/93/29/626409329.db2.gz QYDRPYBMUCHIMZ-MRXNPFEDSA-N 1 0 310.369 3.107 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H](OC(F)F)C1 ZINC000801988128 626428671 /nfs/dbraw/zinc/42/86/71/626428671.db2.gz MKJFNAZYHOSOPE-JTQLQIEISA-N 1 0 306.696 3.062 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(SCC[NH+]3CCCC3)sc2c1 ZINC000839984052 626583643 /nfs/dbraw/zinc/58/36/43/626583643.db2.gz KBCMZQMSNDXRIW-UHFFFAOYSA-N 1 0 309.416 3.392 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000883262986 626628163 /nfs/dbraw/zinc/62/81/63/626628163.db2.gz CQZCPGSLEQGXFE-MQMHXKEQSA-N 1 0 316.357 3.369 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000883273840 626631537 /nfs/dbraw/zinc/63/15/37/626631537.db2.gz TVOWTTWJSJODQI-GVXVVHGQSA-N 1 0 310.419 3.392 20 5 DGBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)OCCc2ccccc21 ZINC000883341319 626654078 /nfs/dbraw/zinc/65/40/78/626654078.db2.gz NNRASSBMSUOKGB-GOSISDBHSA-N 1 0 312.369 3.173 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883352897 626657322 /nfs/dbraw/zinc/65/73/22/626657322.db2.gz KFDZYWJRFVNDDS-BJJXKVORSA-N 1 0 324.396 3.460 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883357838 626659587 /nfs/dbraw/zinc/65/95/87/626659587.db2.gz WDJHXIQAJPVEMI-GXTWGEPZSA-N 1 0 320.389 3.356 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC2(COC2)CC1 ZINC000883379250 626666858 /nfs/dbraw/zinc/66/68/58/626666858.db2.gz UUQQILLHFSGYND-AWEZNQCLSA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804330506 626670115 /nfs/dbraw/zinc/67/01/15/626670115.db2.gz WUHNMGBIZUKGOH-LBPRGKRZSA-N 1 0 322.365 3.179 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](C(C)(C)C)CC1 ZINC000807930627 626778665 /nfs/dbraw/zinc/77/86/65/626778665.db2.gz WINMRZGUYPCTLP-UHFFFAOYSA-N 1 0 319.405 3.472 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC1(C[NH+](C)C)CCCC1 ZINC000808017556 626787526 /nfs/dbraw/zinc/78/75/26/626787526.db2.gz ZUIVKVOMWQLCGE-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000800096137 626806028 /nfs/dbraw/zinc/80/60/28/626806028.db2.gz CKSGEYUWFGMAIV-UHFFFAOYSA-N 1 0 314.769 3.137 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000800139052 626812255 /nfs/dbraw/zinc/81/22/55/626812255.db2.gz SUKSGSKRFQYGBG-UHFFFAOYSA-N 1 0 320.345 3.230 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000808384687 626818806 /nfs/dbraw/zinc/81/88/06/626818806.db2.gz JCKVTFATCZAOEB-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO C[NH+](C)C1CCC(Nc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC000884533392 626897902 /nfs/dbraw/zinc/89/79/02/626897902.db2.gz HFVOGEODLJMKKM-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1nn(C[N@@H+](C)C2CC(C)(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840164884 626898594 /nfs/dbraw/zinc/89/85/94/626898594.db2.gz WLKWOKUVLDPDDF-UHFFFAOYSA-N 1 0 302.378 3.331 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC000884547990 626901434 /nfs/dbraw/zinc/90/14/34/626901434.db2.gz ZNSAYAMHEYHDBJ-AOOOYVTPSA-N 1 0 317.311 3.366 20 5 DGBDRO Cc1cc(N2C[C@@H]3CSC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000884645445 626920325 /nfs/dbraw/zinc/92/03/25/626920325.db2.gz GROWIBLAVDCPFS-TXEJJXNPSA-N 1 0 315.398 3.251 20 5 DGBDRO Cc1[nH]c(C2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)[nH+]c1C ZINC000884708078 626932390 /nfs/dbraw/zinc/93/23/90/626932390.db2.gz MBZRNVXBODJIDB-UHFFFAOYSA-N 1 0 315.377 3.022 20 5 DGBDRO CC1(C)CCC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000809733026 626943219 /nfs/dbraw/zinc/94/32/19/626943219.db2.gz OXBMKHHGMKYVNU-CJNGLKHVSA-N 1 0 306.406 3.434 20 5 DGBDRO [NH3+]CCN(Cc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000809735941 626943661 /nfs/dbraw/zinc/94/36/61/626943661.db2.gz AOSLBFDMRLSYHC-UHFFFAOYSA-N 1 0 305.765 3.214 20 5 DGBDRO C[C@H]1C[C@H]1c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000809734604 626943715 /nfs/dbraw/zinc/94/37/15/626943715.db2.gz ILVWRXBSVQSGPL-BLLLJJGKSA-N 1 0 315.373 3.277 20 5 DGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1C[C@]12CCOC2 ZINC000886046859 627092857 /nfs/dbraw/zinc/09/28/57/627092857.db2.gz RAEBBOHEVJPEPE-WFASDCNBSA-N 1 0 310.781 3.107 20 5 DGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000886131770 627109701 /nfs/dbraw/zinc/10/97/01/627109701.db2.gz HEODELVYADBQET-WQGACYEGSA-N 1 0 313.357 3.033 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(CC)CC ZINC000886140934 627111488 /nfs/dbraw/zinc/11/14/88/627111488.db2.gz SQVAEQWXVHPHBP-UONOGXRCSA-N 1 0 307.394 3.063 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000886703340 627195170 /nfs/dbraw/zinc/19/51/70/627195170.db2.gz SWMQXPWAOPTSKC-VXGBXAGGSA-N 1 0 308.353 3.344 20 5 DGBDRO CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000886786641 627204175 /nfs/dbraw/zinc/20/41/75/627204175.db2.gz HDDHWRISLYAOCI-XIRDDKMYSA-N 1 0 322.405 3.077 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886976412 627217613 /nfs/dbraw/zinc/21/76/13/627217613.db2.gz AAQXKJGQZKEMLZ-UHFFFAOYSA-N 1 0 324.808 3.423 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3(C4CC4)CCC3)n2)cc1 ZINC000887147337 627229703 /nfs/dbraw/zinc/22/97/03/627229703.db2.gz ILHNLLJUDXOAHQ-UHFFFAOYSA-N 1 0 314.345 3.067 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300531169 627272846 /nfs/dbraw/zinc/27/28/46/627272846.db2.gz VPOIVBCMPLRCGS-UWVGGRQHSA-N 1 0 313.760 3.426 20 5 DGBDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811480546 627279706 /nfs/dbraw/zinc/27/97/06/627279706.db2.gz XVSFQTUSAGSITA-PRHODGIISA-N 1 0 321.204 3.398 20 5 DGBDRO CC[C@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481713 627279727 /nfs/dbraw/zinc/27/97/27/627279727.db2.gz KTHOXHFUSWSZSL-SNVBAGLBSA-N 1 0 307.177 3.152 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1(CO)CCC1 ZINC000811490161 627280426 /nfs/dbraw/zinc/28/04/26/627280426.db2.gz NFDZTRSNSPXVHZ-UHFFFAOYSA-N 1 0 319.188 3.154 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000811720996 627311806 /nfs/dbraw/zinc/31/18/06/627311806.db2.gz LAOSFTDTQZJZJD-GFCCVEGCSA-N 1 0 324.450 3.002 20 5 DGBDRO CC(C)[C@@H](C)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171634 627461489 /nfs/dbraw/zinc/46/14/89/627461489.db2.gz OECLILJBGTWMBO-CJNGLKHVSA-N 1 0 320.389 3.004 20 5 DGBDRO Cc1ccc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000813630710 627504523 /nfs/dbraw/zinc/50/45/23/627504523.db2.gz OZXRVFPMALDZHS-CQSZACIVSA-N 1 0 303.406 3.214 20 5 DGBDRO Cc1ccccc1OCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815568771 627685693 /nfs/dbraw/zinc/68/56/93/627685693.db2.gz TXUGBPMAYORHOB-ZDUSSCGKSA-N 1 0 315.373 3.215 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc(F)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579678 627686747 /nfs/dbraw/zinc/68/67/47/627686747.db2.gz SETBYGJODFZXAM-SNVBAGLBSA-N 1 0 321.327 3.349 20 5 DGBDRO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000815579796 627686876 /nfs/dbraw/zinc/68/68/76/627686876.db2.gz VGXRCTHBNGPADW-RYUDHWBXSA-N 1 0 317.393 3.366 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583979 627687770 /nfs/dbraw/zinc/68/77/70/627687770.db2.gz SBKPMUYHMKQMFD-SPGJAERMSA-N 1 0 319.405 3.031 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000815585668 627688012 /nfs/dbraw/zinc/68/80/12/627688012.db2.gz OVVDYMXMVALBLT-IAQYHMDHSA-N 1 0 307.394 3.033 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627154 627692204 /nfs/dbraw/zinc/69/22/04/627692204.db2.gz VGGWQAZXBOCAPB-WCQYABFASA-N 1 0 313.357 3.004 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(O)cc(F)c1 ZINC000925151185 627713325 /nfs/dbraw/zinc/71/33/25/627713325.db2.gz ARZADXMIDALILC-LLVKDONJSA-N 1 0 304.321 3.333 20 5 DGBDRO C[C@H]1COC[C@H](C)C1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925464539 627739171 /nfs/dbraw/zinc/73/91/71/627739171.db2.gz FGIXNYIRKXQERX-KBPBESRZSA-N 1 0 306.406 3.178 20 5 DGBDRO C[C@H]1CC2(CC([NH2+]CCCCc3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000925464499 627739230 /nfs/dbraw/zinc/73/92/30/627739230.db2.gz DHPZEVJKEUHFAZ-NXVRBGIVSA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cn(C)cn1 ZINC000925467590 627740116 /nfs/dbraw/zinc/74/01/16/627740116.db2.gz URNRPMCQDWZLQE-CYBMUJFWSA-N 1 0 302.378 3.002 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000926797932 627956787 /nfs/dbraw/zinc/95/67/87/627956787.db2.gz WVSYJLROUDHLGS-GFCCVEGCSA-N 1 0 314.341 3.483 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000926835178 627962234 /nfs/dbraw/zinc/96/22/34/627962234.db2.gz IWDHUWDUTQGOTA-KBUPBQIOSA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000926835713 627962329 /nfs/dbraw/zinc/96/23/29/627962329.db2.gz KHYIOSPHMZUKJH-FRFSOERESA-N 1 0 303.406 3.262 20 5 DGBDRO Cc1cnc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000926959178 627990206 /nfs/dbraw/zinc/99/02/06/627990206.db2.gz KSCVVMUVXGBIFY-GFCCVEGCSA-N 1 0 300.362 3.040 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927071532 628008290 /nfs/dbraw/zinc/00/82/90/628008290.db2.gz ZKZMGJDAVJIOHI-FABXCBLPSA-N 1 0 319.405 3.033 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccc2c1OCC2 ZINC000927089367 628011902 /nfs/dbraw/zinc/01/19/02/628011902.db2.gz AVISOCQRTIWKAF-INIZCTEOSA-N 1 0 310.353 3.307 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000819091966 628090649 /nfs/dbraw/zinc/09/06/49/628090649.db2.gz OZCSXUQGFYTQAX-SFHVURJKSA-N 1 0 314.385 3.241 20 5 DGBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819189479 628108718 /nfs/dbraw/zinc/10/87/18/628108718.db2.gz HKQOVPWGJVRYFM-INIZCTEOSA-N 1 0 306.406 3.434 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2CCC(F)(F)CC2)cc1 ZINC000819290320 628128148 /nfs/dbraw/zinc/12/81/48/628128148.db2.gz YXLUCURVPYONQE-CQSZACIVSA-N 1 0 314.332 3.043 20 5 DGBDRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928249232 628133321 /nfs/dbraw/zinc/13/33/21/628133321.db2.gz PLIQMBCRRIBRBU-ZIAGYGMSSA-N 1 0 319.405 3.037 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000820652823 628282691 /nfs/dbraw/zinc/28/26/91/628282691.db2.gz YZPZIPAGKSCITB-UHFFFAOYSA-N 1 0 315.776 3.354 20 5 DGBDRO Cc1ccc(-c2noc([C@@H]3C[C@@H](C)CC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822723552 628485082 /nfs/dbraw/zinc/48/50/82/628485082.db2.gz XYYGORJZRJFZBF-CABZTGNLSA-N 1 0 302.334 3.014 20 5 DGBDRO Cc1cc(-c2noc([C@H](C(C)C)[C@@H](C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000823270346 628544009 /nfs/dbraw/zinc/54/40/09/628544009.db2.gz QBPSXWRGKHWRCM-ZWNOBZJWSA-N 1 0 304.350 3.040 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823585755 628576684 /nfs/dbraw/zinc/57/66/84/628576684.db2.gz QVKBUHFGXLQZBK-KSSFIOAISA-N 1 0 314.385 3.495 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1Cl ZINC000824715168 628686119 /nfs/dbraw/zinc/68/61/19/628686119.db2.gz IQWQKUFTQOEYSX-XNRPHZJLSA-N 1 0 324.808 3.374 20 5 DGBDRO CCn1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000825130187 628731402 /nfs/dbraw/zinc/73/14/02/628731402.db2.gz PCENUCKJMCREND-JTQLQIEISA-N 1 0 308.769 3.315 20 5 DGBDRO CC(C)(O)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825202806 628737699 /nfs/dbraw/zinc/73/76/99/628737699.db2.gz VKRGDSYVXABUMP-UHFFFAOYSA-N 1 0 300.786 3.135 20 5 DGBDRO COC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000825322042 628749185 /nfs/dbraw/zinc/74/91/85/628749185.db2.gz VSTVEDUOOWEWTG-LBPRGKRZSA-N 1 0 312.797 3.497 20 5 DGBDRO C[N@H+](CCC[C@H]1CCOC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000828021484 629015536 /nfs/dbraw/zinc/01/55/36/629015536.db2.gz RZUGLTJKZCBSEJ-LBPRGKRZSA-N 1 0 312.797 3.497 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000828889059 629105893 /nfs/dbraw/zinc/10/58/93/629105893.db2.gz QKFIBUANXADWQK-WFASDCNBSA-N 1 0 308.353 3.125 20 5 DGBDRO CC[C@@H]1C[N@H+](CC)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000829126955 629132741 /nfs/dbraw/zinc/13/27/41/629132741.db2.gz RPWPYDCZYDQNPI-LLVKDONJSA-N 1 0 320.418 3.125 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000831307850 629360210 /nfs/dbraw/zinc/36/02/10/629360210.db2.gz GUZYCVIFISNXKL-HUUCEWRRSA-N 1 0 308.353 3.171 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000831321686 629361992 /nfs/dbraw/zinc/36/19/92/629361992.db2.gz QHKRZZNQSMOGCB-CFVMTHIKSA-N 1 0 308.353 3.027 20 5 DGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000831359567 629367395 /nfs/dbraw/zinc/36/73/95/629367395.db2.gz XOINPUWBLQOPKL-LSDHHAIUSA-N 1 0 310.369 3.416 20 5 DGBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000832209409 629450558 /nfs/dbraw/zinc/45/05/58/629450558.db2.gz HZXLDRCACPPYMF-HUUCEWRRSA-N 1 0 308.353 3.123 20 5 DGBDRO Cc1ccc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000832634188 629501075 /nfs/dbraw/zinc/50/10/75/629501075.db2.gz LCKBXJOSCUFSKM-SFHVURJKSA-N 1 0 314.385 3.377 20 5 DGBDRO CCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102422995 630105022 /nfs/dbraw/zinc/10/50/22/630105022.db2.gz OHVLNXAOIDAUAZ-UHFFFAOYSA-N 1 0 306.387 3.449 20 5 DGBDRO CC1(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)OCCO1 ZINC000841751237 630462272 /nfs/dbraw/zinc/46/22/72/630462272.db2.gz GIKPMVVODZWMNH-INIZCTEOSA-N 1 0 320.389 3.105 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000843045350 630607508 /nfs/dbraw/zinc/60/75/08/630607508.db2.gz NVLFTLVSMHOXRP-HIFRSBDPSA-N 1 0 323.824 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000843048109 630608017 /nfs/dbraw/zinc/60/80/17/630608017.db2.gz NHAOHPFLBBQJKS-GOEBONIOSA-N 1 0 323.824 3.355 20 5 DGBDRO CC(C)c1ccc(-c2nc([C@H]([NH3+])C(C)C)no2)cc1[N+](=O)[O-] ZINC000843154219 630621932 /nfs/dbraw/zinc/62/19/32/630621932.db2.gz OCTUAJOOZLECND-CYBMUJFWSA-N 1 0 304.350 3.424 20 5 DGBDRO C[C@@H](Nc1ccc(OCC[NH3+])cc1)c1ccccc1[N+](=O)[O-] ZINC000843366358 630650083 /nfs/dbraw/zinc/65/00/83/630650083.db2.gz QVMVXELBHSUMCL-GFCCVEGCSA-N 1 0 301.346 3.105 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000845502678 631179249 /nfs/dbraw/zinc/17/92/49/631179249.db2.gz LZMQBBMMSADDRM-OLZOCXBDSA-N 1 0 314.389 3.428 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000845502680 631179358 /nfs/dbraw/zinc/17/93/58/631179358.db2.gz LZMQBBMMSADDRM-STQMWFEESA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@@H](C(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000845734517 631192581 /nfs/dbraw/zinc/19/25/81/631192581.db2.gz GBCZZEQEGWQUSY-DOMZBBRYSA-N 1 0 320.389 3.114 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@]3(CC3(F)F)C2)cc1Cl ZINC000846117810 631210550 /nfs/dbraw/zinc/21/05/50/631210550.db2.gz RQIBAVDXPBCRGK-LBPRGKRZSA-N 1 0 302.708 3.479 20 5 DGBDRO C[C@H](COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000847964289 631587855 /nfs/dbraw/zinc/58/78/55/631587855.db2.gz ZVEUTTYOBLDVAL-ZIAGYGMSSA-N 1 0 320.389 3.116 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)c1ccccc1F ZINC000848521004 631676003 /nfs/dbraw/zinc/67/60/03/631676003.db2.gz MAGRTLJWIPXDQA-DOTOQJQBSA-N 1 0 316.332 3.044 20 5 DGBDRO C[C@@](O)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccs1 ZINC000848528476 631678587 /nfs/dbraw/zinc/67/85/87/631678587.db2.gz MFIVUCSQTDFKIT-XJKSGUPXSA-N 1 0 318.398 3.141 20 5 DGBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848531771 631680939 /nfs/dbraw/zinc/68/09/39/631680939.db2.gz WEMRRRDGINIOCL-IRXDYDNUSA-N 1 0 324.384 3.348 20 5 DGBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848531769 631681093 /nfs/dbraw/zinc/68/10/93/631681093.db2.gz WEMRRRDGINIOCL-DLBZAZTESA-N 1 0 324.384 3.348 20 5 DGBDRO Cc1ncc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000848536876 631682843 /nfs/dbraw/zinc/68/28/43/631682843.db2.gz XVAOGDOPLVCYNE-AWEZNQCLSA-N 1 0 303.387 3.179 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848787871 631748505 /nfs/dbraw/zinc/74/85/05/631748505.db2.gz XKRHXUOCVCYKAB-SJORKVTESA-N 1 0 317.389 3.226 20 5 DGBDRO CCc1cccc(NC(=[NH2+])NCCc2ccccc2[N+](=O)[O-])c1 ZINC000849088525 631832696 /nfs/dbraw/zinc/83/26/96/631832696.db2.gz NSWCKARKIOWMSZ-UHFFFAOYSA-N 1 0 312.373 3.336 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850371096 632129038 /nfs/dbraw/zinc/12/90/38/632129038.db2.gz YKWUYTKQASCQDZ-NRUITVPNSA-N 1 0 302.374 3.299 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccsc1 ZINC000850437351 632152570 /nfs/dbraw/zinc/15/25/70/632152570.db2.gz OJAZBRZYJBSPML-QMTHXVAHSA-N 1 0 322.386 3.049 20 5 DGBDRO C[C@H](CSCCF)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000850444023 632154536 /nfs/dbraw/zinc/15/45/36/632154536.db2.gz HDPIRSQNUJECHQ-SECBINFHSA-N 1 0 306.790 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1COC3(CCC3)C1)CCC2 ZINC000850523222 632179024 /nfs/dbraw/zinc/17/90/24/632179024.db2.gz CTSGTZVYKGYNSV-XJKSGUPXSA-N 1 0 302.374 3.273 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2COC(C)(C)O2)cc1[N+](=O)[O-] ZINC000851906082 632519474 /nfs/dbraw/zinc/51/94/74/632519474.db2.gz LGDDGEOWKMVVSG-JSGCOSHPSA-N 1 0 308.378 3.095 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2COC(C)(C)O2)cc1[N+](=O)[O-] ZINC000851906085 632519537 /nfs/dbraw/zinc/51/95/37/632519537.db2.gz LGDDGEOWKMVVSG-OCCSQVGLSA-N 1 0 308.378 3.095 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000852018736 632539913 /nfs/dbraw/zinc/53/99/13/632539913.db2.gz PTPRLZQKNPWYRR-OAHLLOKOSA-N 1 0 316.332 3.217 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(C3CCC3)CC2)cc1 ZINC000852407556 632600868 /nfs/dbraw/zinc/60/08/68/632600868.db2.gz CNJJIJUTYMSQEB-KRWDZBQOSA-N 1 0 304.390 3.140 20 5 DGBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852422618 632601759 /nfs/dbraw/zinc/60/17/59/632601759.db2.gz GJXOOBZUOLHDIX-NHYWBVRUSA-N 1 0 312.797 3.231 20 5 DGBDRO CCC[NH+]1CCC(NCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000084439780 660344576 /nfs/dbraw/zinc/34/45/76/660344576.db2.gz BIDGXPIPADFDLC-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000453199523 660485938 /nfs/dbraw/zinc/48/59/38/660485938.db2.gz SHJRGKGZVXRTIM-HUUCEWRRSA-N 1 0 324.808 3.338 20 5 DGBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC(C)(C)C1 ZINC000794686780 661099240 /nfs/dbraw/zinc/09/92/40/661099240.db2.gz QUNRZQNBAJLSNE-CQSZACIVSA-N 1 0 302.378 3.413 20 5 DGBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCC(C)(C)C1 ZINC000794686779 661099360 /nfs/dbraw/zinc/09/93/60/661099360.db2.gz QUNRZQNBAJLSNE-AWEZNQCLSA-N 1 0 302.378 3.413 20 5 DGBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000932491994 655577512 /nfs/dbraw/zinc/57/75/12/655577512.db2.gz NXMFHTJKKPXRBT-HQJQHLMTSA-N 1 0 305.161 3.026 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933383401 655710101 /nfs/dbraw/zinc/71/01/01/655710101.db2.gz QUMZYJFIGUWOKM-XHDPSFHLSA-N 1 0 308.765 3.049 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1C[C@]1(C)Br)c1cccc([N+](=O)[O-])c1 ZINC000892623908 655965505 /nfs/dbraw/zinc/96/55/05/655965505.db2.gz XVNJABRYHZKMAR-NDMJEZRESA-N 1 0 313.195 3.419 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1C[C@]1(C)Br)c1cccc([N+](=O)[O-])c1 ZINC000892623907 655965641 /nfs/dbraw/zinc/96/56/41/655965641.db2.gz XVNJABRYHZKMAR-GAFUQQFSSA-N 1 0 313.195 3.419 20 5 DGBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1F ZINC000051322869 656139673 /nfs/dbraw/zinc/13/96/73/656139673.db2.gz YLEVLXHUJSXSMZ-MRXNPFEDSA-N 1 0 322.311 3.038 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000178569487 656927421 /nfs/dbraw/zinc/92/74/21/656927421.db2.gz TXJGDMICLVZHJM-ZWKOTPCHSA-N 1 0 312.369 3.369 20 5 DGBDRO O=C(NCC[NH2+]C1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000261788867 657096712 /nfs/dbraw/zinc/09/67/12/657096712.db2.gz SXDOGWCJZPQCSL-UHFFFAOYSA-N 1 0 320.393 3.029 20 5 DGBDRO Cc1cc(N2CCC[C@H]([C@@H](C)[NH3+])C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000261958178 657257336 /nfs/dbraw/zinc/25/73/36/657257336.db2.gz XIYLZRDTLVRGNB-OLZOCXBDSA-N 1 0 314.389 3.015 20 5 DGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000261959744 657264142 /nfs/dbraw/zinc/26/41/42/657264142.db2.gz OOOJIYPOIOZUSQ-NXEZZACHSA-N 1 0 317.311 3.414 20 5 DGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000261959746 657264225 /nfs/dbraw/zinc/26/42/25/657264225.db2.gz OOOJIYPOIOZUSQ-VHSXEESVSA-N 1 0 317.311 3.414 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000261971987 657268629 /nfs/dbraw/zinc/26/86/29/657268629.db2.gz QGBHIAQEZMEUQL-CYBMUJFWSA-N 1 0 317.776 3.138 20 5 DGBDRO CCOc1cccc(NC[C@@H]([NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000262355364 657521664 /nfs/dbraw/zinc/52/16/64/657521664.db2.gz VTPQXZXZIYCBKR-CYBMUJFWSA-N 1 0 301.346 3.105 20 5 DGBDRO CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351050 659320429 /nfs/dbraw/zinc/32/04/29/659320429.db2.gz JKJCKNBTNJGLFR-QGZVFWFLSA-N 1 0 300.358 3.150 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000173891697 659403788 /nfs/dbraw/zinc/40/37/88/659403788.db2.gz PKRJUNMKPPJFFE-LBPRGKRZSA-N 1 0 311.813 3.022 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000444797140 659887139 /nfs/dbraw/zinc/88/71/39/659887139.db2.gz CMBNYWOHBYEQGY-UONOGXRCSA-N 1 0 314.389 3.269 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174947009 659913987 /nfs/dbraw/zinc/91/39/87/659913987.db2.gz YZRMRYHSUVTCSK-CYBMUJFWSA-N 1 0 317.393 3.179 20 5 DGBDRO CC[C@@](O)(C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000930554830 661410049 /nfs/dbraw/zinc/41/00/49/661410049.db2.gz PGSSOVHMMZDFSM-CYBMUJFWSA-N 1 0 320.311 3.123 20 5 DGBDRO C[NH+](C)C1(C)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000931354201 661469947 /nfs/dbraw/zinc/46/99/47/661469947.db2.gz FLTFAMKPRARJCN-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC(c3ncco3)CC2)cc1F ZINC000931445679 661477076 /nfs/dbraw/zinc/47/70/76/661477076.db2.gz BFUZEZREXWHZDQ-UHFFFAOYSA-N 1 0 305.309 3.102 20 5 DGBDRO COC(=O)c1csc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932176827 661544661 /nfs/dbraw/zinc/54/46/61/661544661.db2.gz NGJWZIQQRRRESC-SNVBAGLBSA-N 1 0 320.370 3.294 20 5 DGBDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932277845 661556044 /nfs/dbraw/zinc/55/60/44/661556044.db2.gz LEPSFQHXNYFHMK-GOEBONIOSA-N 1 0 314.389 3.059 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC(O)(C3CCC3)CC2)c1 ZINC000932821102 661599347 /nfs/dbraw/zinc/59/93/47/661599347.db2.gz BTNSIEBSTIEGPI-UHFFFAOYSA-N 1 0 324.808 3.375 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)C2CCCC2)ccc1Cl ZINC000934010998 661673743 /nfs/dbraw/zinc/67/37/43/661673743.db2.gz ITBCULVKGYNISO-AWEZNQCLSA-N 1 0 312.797 3.279 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000934011138 661673806 /nfs/dbraw/zinc/67/38/06/661673806.db2.gz JSLHXHASHZLUKK-CQSZACIVSA-N 1 0 312.797 3.279 20 5 DGBDRO CCCCC1([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000934205466 661687810 /nfs/dbraw/zinc/68/78/10/661687810.db2.gz HCZCIWYDPFZWOC-UHFFFAOYSA-N 1 0 316.361 3.457 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1[N+](=O)[O-] ZINC000934330737 661698187 /nfs/dbraw/zinc/69/81/87/661698187.db2.gz IUKFKLCUTJEXQN-CQSZACIVSA-N 1 0 317.414 3.424 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934701955 661727826 /nfs/dbraw/zinc/72/78/26/661727826.db2.gz UKFTTWOKBHKLNV-MRXNPFEDSA-N 1 0 301.321 3.370 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040622609 661832016 /nfs/dbraw/zinc/83/20/16/661832016.db2.gz OFDMXMRZIGISDC-GFCCVEGCSA-N 1 0 311.813 3.068 20 5 DGBDRO CC[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000245441402 662233352 /nfs/dbraw/zinc/23/33/52/662233352.db2.gz VJVCTLDKRUYDQR-GDBMZVCRSA-N 1 0 314.389 3.265 20 5 DGBDRO CC(C)C[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246316429 662253600 /nfs/dbraw/zinc/25/36/00/662253600.db2.gz RIBKHASDUDZQGX-RHSMWYFYSA-N 1 0 306.406 3.386 20 5 DGBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001579499792 1191977944 /nfs/dbraw/zinc/97/79/44/1191977944.db2.gz FGESGSDPIAMDBH-TZMCWYRMSA-N 1 0 312.373 3.209 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC001580874937 1192043619 /nfs/dbraw/zinc/04/36/19/1192043619.db2.gz PTILCPOJRVQPPE-GXTWGEPZSA-N 1 0 307.369 3.092 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1csc(C2CC2)n1 ZINC001620920227 1192607730 /nfs/dbraw/zinc/60/77/30/1192607730.db2.gz FWQDGOJQRYGKTO-UHFFFAOYSA-N 1 0 303.387 3.261 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000480064333 1178061218 /nfs/dbraw/zinc/06/12/18/1178061218.db2.gz STOQBAGMULCFRU-ABAIWWIYSA-N 1 0 317.389 3.082 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(O)CCC(C)CC1 ZINC001621019698 1192864507 /nfs/dbraw/zinc/86/45/07/1192864507.db2.gz VRUKERHFQDLRQX-UHFFFAOYSA-N 1 0 306.406 3.242 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2N(C)C)cc1[N+](=O)[O-] ZINC001333478268 1178611839 /nfs/dbraw/zinc/61/18/39/1178611839.db2.gz LCPAARJNDXDRKT-CWRNSKLLSA-N 1 0 305.422 3.427 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001333671526 1178650797 /nfs/dbraw/zinc/65/07/97/1178650797.db2.gz IUKOOUYVWFRCIS-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H](C[NH2+]Cc1cnc(N(C)C)s1)c1ccccc1[N+](=O)[O-] ZINC001335118969 1178855464 /nfs/dbraw/zinc/85/54/64/1178855464.db2.gz VSBLPKSVTJUBDF-LLVKDONJSA-N 1 0 320.418 3.011 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001335132884 1178857657 /nfs/dbraw/zinc/85/76/57/1178857657.db2.gz YQENWXKUIATMDN-KKUMJFAQSA-N 1 0 303.406 3.070 20 5 DGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001341492106 1179017644 /nfs/dbraw/zinc/01/76/44/1179017644.db2.gz AKPZVDFNFZRZFO-OAHLLOKOSA-N 1 0 321.421 3.095 20 5 DGBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001350943514 1180148423 /nfs/dbraw/zinc/14/84/23/1180148423.db2.gz FBJJEHGWIUCJQO-BBRMVZONSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001353255177 1180511332 /nfs/dbraw/zinc/51/13/32/1180511332.db2.gz RYVLBSUUIGGPHG-BZNIZROVSA-N 1 0 304.321 3.118 20 5 DGBDRO Cc1cc(NCC[NH+]2CCCC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001472642770 1180790419 /nfs/dbraw/zinc/79/04/19/1180790419.db2.gz HMLPSQIMBLYSFM-UHFFFAOYSA-N 1 0 317.311 3.430 20 5 DGBDRO C[C@@H](CC1CCC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001357259709 1181376572 /nfs/dbraw/zinc/37/65/72/1181376572.db2.gz FKESUSOMGBFWBF-LBPRGKRZSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001458484450 1182530773 /nfs/dbraw/zinc/53/07/73/1182530773.db2.gz JACQVCIVGAXGNW-LBPRGKRZSA-N 1 0 322.365 3.035 20 5 DGBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001458550167 1182538912 /nfs/dbraw/zinc/53/89/12/1182538912.db2.gz RTLKZFSHBBIEMP-JTQLQIEISA-N 1 0 303.284 3.120 20 5 DGBDRO CN(CCCC[NH+](C)C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001458570558 1182541292 /nfs/dbraw/zinc/54/12/92/1182541292.db2.gz GVOWPEURUUMAGD-UHFFFAOYSA-N 1 0 319.327 3.392 20 5 DGBDRO C[N@@H+]1CCC[C@H]1CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001458778318 1182553234 /nfs/dbraw/zinc/55/32/34/1182553234.db2.gz VBQWVSXNZFBTAK-JTQLQIEISA-N 1 0 309.416 3.391 20 5 DGBDRO Cn1cc(C[NH+]2CCC(C3CCCCC3)CC2)c([N+](=O)[O-])n1 ZINC001460368882 1182683570 /nfs/dbraw/zinc/68/35/70/1182683570.db2.gz LOGOETXIESPHON-UHFFFAOYSA-N 1 0 306.410 3.121 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001460941901 1182743593 /nfs/dbraw/zinc/74/35/93/1182743593.db2.gz AKTMXRSKXHSGAD-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCOCC23CCCC3)cc1 ZINC001460963393 1182747804 /nfs/dbraw/zinc/74/78/04/1182747804.db2.gz GPLYFMLTYDAQQO-INIZCTEOSA-N 1 0 304.390 3.076 20 5 DGBDRO Cc1ccc(CNc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC001461138834 1182772611 /nfs/dbraw/zinc/77/26/11/1182772611.db2.gz CICIXXDHIFYZMJ-UHFFFAOYSA-N 1 0 309.329 3.096 20 5 DGBDRO Cc1c(CNCC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC001461429645 1182812840 /nfs/dbraw/zinc/81/28/40/1182812840.db2.gz GZPVDQOJJJCBAL-AWEZNQCLSA-N 1 0 305.422 3.257 20 5 DGBDRO COc1ccccc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001461784467 1182853652 /nfs/dbraw/zinc/85/36/52/1182853652.db2.gz BEXMUEWFHJCISJ-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO [NH3+]CCN(C/C=C/c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001462192502 1182921918 /nfs/dbraw/zinc/92/19/18/1182921918.db2.gz YHCBDZJEXJYNBU-DUXPYHPUSA-N 1 0 315.348 3.212 20 5 DGBDRO COC(=O)CCCCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001462205567 1182923879 /nfs/dbraw/zinc/92/38/79/1182923879.db2.gz HMZPWPZTHAUVCY-KAMYIIQDSA-N 1 0 320.389 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC001462566725 1182970408 /nfs/dbraw/zinc/97/04/08/1182970408.db2.gz PQEMYAKMBMNOGM-UHFFFAOYSA-N 1 0 310.275 3.344 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001472711088 1183670019 /nfs/dbraw/zinc/67/00/19/1183670019.db2.gz UALWEFZIQBPJCJ-QWHCGFSZSA-N 1 0 314.389 3.428 20 5 DGBDRO COc1ccc(C[C@H]2CC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC001473217614 1183732501 /nfs/dbraw/zinc/73/25/01/1183732501.db2.gz BWVLNCPVIZPGGV-MRXNPFEDSA-N 1 0 312.369 3.420 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC001473278639 1183739420 /nfs/dbraw/zinc/73/94/20/1183739420.db2.gz KBJUSAVPRPBLSK-KBPBESRZSA-N 1 0 308.426 3.294 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC001473278647 1183739820 /nfs/dbraw/zinc/73/98/20/1183739820.db2.gz KBJUSAVPRPBLSK-KGLIPLIRSA-N 1 0 308.426 3.294 20 5 DGBDRO COc1ccc(C[N@@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001473840633 1183810706 /nfs/dbraw/zinc/81/07/06/1183810706.db2.gz DMJOVIZDPBPARA-JTOWHCCKSA-N 1 0 314.385 3.247 20 5 DGBDRO CCOCCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001473918166 1183827119 /nfs/dbraw/zinc/82/71/19/1183827119.db2.gz JFDRKCUBYAWJJH-UHFFFAOYSA-N 1 0 304.346 3.371 20 5 DGBDRO C[C@@H](C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC001473956945 1183837775 /nfs/dbraw/zinc/83/77/75/1183837775.db2.gz CZMRHAGNIUHFLB-VIFPVBQESA-N 1 0 313.195 3.493 20 5 DGBDRO Cc1c(CNc2c[nH+]ccc2-n2cccn2)cccc1[N+](=O)[O-] ZINC001474086206 1183865161 /nfs/dbraw/zinc/86/51/61/1183865161.db2.gz SNHJXUQHZVCAMA-UHFFFAOYSA-N 1 0 309.329 3.096 20 5 DGBDRO C[C@H](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+](C)C ZINC001474223284 1183885703 /nfs/dbraw/zinc/88/57/03/1183885703.db2.gz FKOVZVBENKMKSH-CYBMUJFWSA-N 1 0 317.389 3.285 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@H]2C[C@@H]2C2CCCC2)c1[N+](=O)[O-] ZINC001474754743 1183973754 /nfs/dbraw/zinc/97/37/54/1183973754.db2.gz BPQNFWKQGMALAI-ZIAGYGMSSA-N 1 0 320.389 3.225 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001613026601 1193465775 /nfs/dbraw/zinc/46/57/75/1193465775.db2.gz HNVSBSOYTUWGQS-CYBMUJFWSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001617207031 1193562271 /nfs/dbraw/zinc/56/22/71/1193562271.db2.gz MXBMNSDKEMLVNM-OCCSQVGLSA-N 1 0 308.378 3.151 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1nc(C)ccc1[N+](=O)[O-])CC(C)C ZINC001559062133 1189167031 /nfs/dbraw/zinc/16/70/31/1189167031.db2.gz MSXRADAUJCDUHJ-AWEZNQCLSA-N 1 0 308.426 3.467 20 5 DGBDRO C[C@@H]1[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001559283672 1189192093 /nfs/dbraw/zinc/19/20/93/1189192093.db2.gz SLYPGLWRFLMQSP-SCZZXKLOSA-N 1 0 303.284 3.118 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001559811705 1189245106 /nfs/dbraw/zinc/24/51/06/1189245106.db2.gz NTHXSNIFBUAKCL-JKSUJKDBSA-N 1 0 322.405 3.157 20 5 DGBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001559847723 1189249550 /nfs/dbraw/zinc/24/95/50/1189249550.db2.gz ZPUAVWGCPKUKSI-QCZZGDTMSA-N 1 0 312.797 3.397 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC[NH+]1CCCCC1 ZINC001559956384 1189262585 /nfs/dbraw/zinc/26/25/85/1189262585.db2.gz UXHTVIZWQNVRNF-OAHLLOKOSA-N 1 0 305.422 3.382 20 5 DGBDRO CC[N@H+]1[C@H](C)CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001559956060 1189262765 /nfs/dbraw/zinc/26/27/65/1189262765.db2.gz KUNXWMYUHHUHNY-TXEJJXNPSA-N 1 0 311.813 3.163 20 5 DGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC001560097861 1189278364 /nfs/dbraw/zinc/27/83/64/1189278364.db2.gz QOPBTWSDWJMDSX-SFHVURJKSA-N 1 0 314.385 3.193 20 5 DGBDRO CCC1(CC)CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001560119651 1189280293 /nfs/dbraw/zinc/28/02/93/1189280293.db2.gz MNWCUNZVLWTPGG-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001560201256 1189289888 /nfs/dbraw/zinc/28/98/88/1189289888.db2.gz HAQJLNWRVGEUFN-AWEZNQCLSA-N 1 0 305.378 3.188 20 5 DGBDRO Cc1cccc(C)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001560314334 1189310046 /nfs/dbraw/zinc/31/00/46/1189310046.db2.gz WBBPIWZFGTZZCI-UHFFFAOYSA-N 1 0 300.358 3.380 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)c([N+](=O)[O-])cc1O ZINC001560359327 1189318372 /nfs/dbraw/zinc/31/83/72/1189318372.db2.gz IXBFOIBFVNCEFM-ZIAGYGMSSA-N 1 0 320.389 3.367 20 5 DGBDRO C[C@H]1Cc2cc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)ccc2O1 ZINC001560426617 1189327786 /nfs/dbraw/zinc/32/77/86/1189327786.db2.gz SRADXDVOMFNUDL-ZDUSSCGKSA-N 1 0 312.369 3.251 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC001560590373 1189344827 /nfs/dbraw/zinc/34/48/27/1189344827.db2.gz UAWMATZQOROWDL-KOZAUXTDSA-N 1 0 304.390 3.375 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H](SC)C1 ZINC001657337265 1196132328 /nfs/dbraw/zinc/13/23/28/1196132328.db2.gz WEPXQBHMZOCLOP-JSGCOSHPSA-N 1 0 310.419 3.367 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001657471524 1196146614 /nfs/dbraw/zinc/14/66/14/1196146614.db2.gz MTTAVHQYJCGEDU-CYBMUJFWSA-N 1 0 310.394 3.350 20 5 DGBDRO CC(C)=CCC[C@@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575390443 1191477942 /nfs/dbraw/zinc/47/79/42/1191477942.db2.gz UXHIZMRZFMSLTQ-CXAGYDPISA-N 1 0 319.405 3.020 20 5 DGBDRO CC(C)C[C@](C)(C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001575531298 1191489587 /nfs/dbraw/zinc/48/95/87/1191489587.db2.gz RDAGCAKHZMWNOV-CQSZACIVSA-N 1 0 313.785 3.198 20 5 DGBDRO CC1(C)[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]2CCC[NH2+][C@H]21 ZINC001576389074 1191580192 /nfs/dbraw/zinc/58/01/92/1191580192.db2.gz FNISXLKIISNXND-KCPJHIHWSA-N 1 0 323.824 3.114 20 5 DGBDRO COc1ccc(OCC[N@H+](C)CCC(C)(C)C)c([N+](=O)[O-])c1 ZINC001618811854 1193752968 /nfs/dbraw/zinc/75/29/68/1193752968.db2.gz FSDFKURAZXSDDK-UHFFFAOYSA-N 1 0 310.394 3.350 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC001620655123 1193786959 /nfs/dbraw/zinc/78/69/59/1193786959.db2.gz YQEQLWKGEHVHAF-IRXDYDNUSA-N 1 0 318.417 3.276 20 5 DGBDRO C[N@H+](CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001639346126 1194761205 /nfs/dbraw/zinc/76/12/05/1194761205.db2.gz XKHMMIYYIMIHHO-UHFFFAOYSA-N 1 0 304.177 3.408 20 5 DGBDRO Cc1cc(N2CC[NH2+][C@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC001640438936 1194813478 /nfs/dbraw/zinc/81/34/78/1194813478.db2.gz UMPBRLSVKRADIA-ZDUSSCGKSA-N 1 0 303.387 3.116 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001642787487 1194938926 /nfs/dbraw/zinc/93/89/26/1194938926.db2.gz UWIVJLMAICIUJZ-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[N@H+](CCc1cccc(F)c1)CCc1ccccc1[N+](=O)[O-] ZINC001643057225 1194964050 /nfs/dbraw/zinc/96/40/50/1194964050.db2.gz SQIJPZHXCDZORU-UHFFFAOYSA-N 1 0 302.349 3.451 20 5 DGBDRO CCC[N@H+](CC(C)C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001644456280 1195109719 /nfs/dbraw/zinc/10/97/19/1195109719.db2.gz GXRNAYDMUZBESL-CYBMUJFWSA-N 1 0 307.394 3.290 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2([C@H]3CCCCO3)CCC2)c1 ZINC001648131415 1195278452 /nfs/dbraw/zinc/27/84/52/1195278452.db2.gz DVEVXBPQIUQIAE-MRXNPFEDSA-N 1 0 320.389 3.055 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001648277078 1195289006 /nfs/dbraw/zinc/28/90/06/1195289006.db2.gz FVVSSEJNDMOMJZ-IVMMDQJWSA-N 1 0 320.389 3.225 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCOC23CCCCC3)cccc1[N+](=O)[O-] ZINC001648523531 1195306902 /nfs/dbraw/zinc/30/69/02/1195306902.db2.gz RKNWKWYNYVMZDJ-INIZCTEOSA-N 1 0 304.390 3.485 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc([N+](=O)[O-])c1 ZINC001648591967 1195311375 /nfs/dbraw/zinc/31/13/75/1195311375.db2.gz SZOIVJKDTHMNBK-ROUUACIJSA-N 1 0 317.433 3.290 20 5 DGBDRO CN(CCC[NH+](C)C)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001650909171 1195395014 /nfs/dbraw/zinc/39/50/14/1195395014.db2.gz PDYYYKBMAKSQFS-UHFFFAOYSA-N 1 0 306.193 3.290 20 5 DGBDRO C[C@H]1CCC[N@H+](CCNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001651373522 1195451025 /nfs/dbraw/zinc/45/10/25/1195451025.db2.gz GFVMZFACXUKYNW-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CCCn1cncc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001651623488 1195487308 /nfs/dbraw/zinc/48/73/08/1195487308.db2.gz LBDVMTLIIKPROT-CYBMUJFWSA-N 1 0 302.378 3.095 20 5 DGBDRO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001652233754 1195566512 /nfs/dbraw/zinc/56/65/12/1195566512.db2.gz AOSHUMREJJZAGL-GFCCVEGCSA-N 1 0 307.369 3.187 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)C[C@H]2C)c1 ZINC001652248431 1195568847 /nfs/dbraw/zinc/56/88/47/1195568847.db2.gz BXLWWMJGZQWPSP-CQSZACIVSA-N 1 0 312.373 3.013 20 5 DGBDRO [NH3+]CCN(Cc1cccc2c1CCC2)c1ccccc1[N+](=O)[O-] ZINC001652407423 1195592996 /nfs/dbraw/zinc/59/29/96/1195592996.db2.gz PBCZIOJVLVUSCR-UHFFFAOYSA-N 1 0 311.385 3.049 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC001653175766 1195695428 /nfs/dbraw/zinc/69/54/28/1195695428.db2.gz LPIRRJMCHHTWCT-HNNXBMFYSA-N 1 0 306.410 3.144 20 5 DGBDRO CCC[N@@H+](CCc1cccs1)CCn1c(C)ncc1[N+](=O)[O-] ZINC001653211401 1195698547 /nfs/dbraw/zinc/69/85/47/1195698547.db2.gz CDHXNKMMJQRPCQ-UHFFFAOYSA-N 1 0 322.434 3.116 20 5 DGBDRO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001653360579 1195714111 /nfs/dbraw/zinc/71/41/11/1195714111.db2.gz RWIUGIQGUSZOMH-KBPBESRZSA-N 1 0 319.405 3.434 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c1 ZINC001653366494 1195714760 /nfs/dbraw/zinc/71/47/60/1195714760.db2.gz IVKRETKLIRFZCA-SLEUVZQESA-N 1 0 320.389 3.296 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001653518270 1195730865 /nfs/dbraw/zinc/73/08/65/1195730865.db2.gz JADDWFZICMSPMP-LSDHHAIUSA-N 1 0 310.369 3.417 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC001653646419 1195740830 /nfs/dbraw/zinc/74/08/30/1195740830.db2.gz SUNLBMOPLMTCJR-JKSUJKDBSA-N 1 0 322.405 3.285 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001653868230 1195756205 /nfs/dbraw/zinc/75/62/05/1195756205.db2.gz LRKDXKYNCNUGKE-QWHCGFSZSA-N 1 0 319.405 3.290 20 5 DGBDRO COc1ccc(OCC[N@@H+]2[C@@H](C)CCC2(C)C)c([N+](=O)[O-])c1 ZINC001653869424 1195756673 /nfs/dbraw/zinc/75/66/73/1195756673.db2.gz RBBXSGGEDQHONF-LBPRGKRZSA-N 1 0 308.378 3.245 20 5 DGBDRO Cc1ncsc1CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001654261589 1195788878 /nfs/dbraw/zinc/78/88/78/1195788878.db2.gz KHESNVUCADFPKD-UHFFFAOYSA-N 1 0 319.430 3.467 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(CC3CCCCC3)CC2)c1 ZINC001654932647 1195856145 /nfs/dbraw/zinc/85/61/45/1195856145.db2.gz LVVKDDZVNRJMFK-UHFFFAOYSA-N 1 0 320.437 3.474 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(C3CCC3)CC2)cc1 ZINC001655006666 1195863971 /nfs/dbraw/zinc/86/39/71/1195863971.db2.gz FZRXFASRCQPUMD-UHFFFAOYSA-N 1 0 304.390 3.486 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001655048934 1195869841 /nfs/dbraw/zinc/86/98/41/1195869841.db2.gz CAACJLLOWXMYRF-LBPRGKRZSA-N 1 0 306.410 3.011 20 5 DGBDRO CCC[C@@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC001655074126 1195872706 /nfs/dbraw/zinc/87/27/06/1195872706.db2.gz RKCYIXABTSKBNK-MRXNPFEDSA-N 1 0 302.378 3.096 20 5 DGBDRO CC(C)(C)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC001655130892 1195880825 /nfs/dbraw/zinc/88/08/25/1195880825.db2.gz OBVCLWQNADFHPF-INIZCTEOSA-N 1 0 322.405 3.111 20 5 DGBDRO Cc1cccc(CN(CC[NH+](C)C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001655243073 1195895520 /nfs/dbraw/zinc/89/55/20/1195895520.db2.gz CXNFBNTYLILFKS-UHFFFAOYSA-N 1 0 313.401 3.471 20 5 DGBDRO Cc1c(CN[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001655415825 1195914208 /nfs/dbraw/zinc/91/42/08/1195914208.db2.gz ALOBKXZFHWHPAH-ZIAGYGMSSA-N 1 0 305.422 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC001655445358 1195918488 /nfs/dbraw/zinc/91/84/88/1195918488.db2.gz LYLIUWUFGDZLTN-OALUTQOASA-N 1 0 323.396 3.100 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@]23CCOC3)cc1 ZINC001655904872 1195976057 /nfs/dbraw/zinc/97/60/57/1195976057.db2.gz DPYREHCUOMYFSZ-QGZVFWFLSA-N 1 0 320.389 3.009 20 5 DGBDRO CN(CC(C)(C)C[NH+](C)C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC001655930195 1195979771 /nfs/dbraw/zinc/97/97/71/1195979771.db2.gz TVOALVBFJMAEKU-UHFFFAOYSA-N 1 0 316.405 3.167 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1 ZINC001655942870 1195980535 /nfs/dbraw/zinc/98/05/35/1195980535.db2.gz RCSUVSIDTHYZGC-IAGOWNOFSA-N 1 0 303.406 3.294 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCCCCO)o1 ZINC001655985642 1195984759 /nfs/dbraw/zinc/98/47/59/1195984759.db2.gz RPCKCOJYHOCZBI-UHFFFAOYSA-N 1 0 318.373 3.497 20 5 DGBDRO COCC[C@@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001656278511 1196026108 /nfs/dbraw/zinc/02/61/08/1196026108.db2.gz FWLOYDBKQDLPHL-GFCCVEGCSA-N 1 0 304.346 3.369 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001656307492 1196028558 /nfs/dbraw/zinc/02/85/58/1196028558.db2.gz YBNDOKYZCQKTDG-PZMTTYODSA-N 1 0 316.401 3.471 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001656544926 1196048451 /nfs/dbraw/zinc/04/84/51/1196048451.db2.gz LCRRUWSBAHRIJO-OAHLLOKOSA-N 1 0 308.353 3.173 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC=CC23CCCCC3)cc1 ZINC001656562149 1196050803 /nfs/dbraw/zinc/05/08/03/1196050803.db2.gz KTYVIWULODNLSO-INIZCTEOSA-N 1 0 302.374 3.203 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](C)N2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001656774065 1196070712 /nfs/dbraw/zinc/07/07/12/1196070712.db2.gz IWLLLWYAGWZCOJ-KBPBESRZSA-N 1 0 305.422 3.256 20 5 DGBDRO Cc1c(C[NH2+]CCc2ccc3c[nH]nc3c2)cccc1[N+](=O)[O-] ZINC001657353614 1196133023 /nfs/dbraw/zinc/13/30/23/1196133023.db2.gz TWGIWSPUIBBSIU-UHFFFAOYSA-N 1 0 310.357 3.112 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC001657388660 1196136804 /nfs/dbraw/zinc/13/68/04/1196136804.db2.gz ZUOLPVZOTHJIQX-CYBMUJFWSA-N 1 0 308.378 3.320 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C/C=C\c2ccccc2)c1[N+](=O)[O-] ZINC001657537516 1196153079 /nfs/dbraw/zinc/15/30/79/1196153079.db2.gz QTXYPEFUHMDLAD-YVMONPNESA-N 1 0 314.341 3.112 20 5 DGBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001657911580 1196193202 /nfs/dbraw/zinc/19/32/02/1196193202.db2.gz BRQQJMLALKQZDN-ZDUSSCGKSA-N 1 0 322.405 3.350 20 5 DGBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001658340940 1196244361 /nfs/dbraw/zinc/24/43/61/1196244361.db2.gz HDHLECLTQZFDDQ-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC001658347505 1196245523 /nfs/dbraw/zinc/24/55/23/1196245523.db2.gz TVPKWUNDKUUMBZ-JSGCOSHPSA-N 1 0 320.389 3.225 20 5 DGBDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001658652110 1196284202 /nfs/dbraw/zinc/28/42/02/1196284202.db2.gz PIIZENKMSPOEAY-SMDDNHRTSA-N 1 0 318.398 3.448 20 5 DGBDRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001658719752 1196291779 /nfs/dbraw/zinc/29/17/79/1196291779.db2.gz ZQFLMJCMLJABAI-WBAXXEDZSA-N 1 0 318.417 3.384 20 5 DGBDRO CC(C)CCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001658879116 1196313755 /nfs/dbraw/zinc/31/37/55/1196313755.db2.gz GJFKICYFZLYTHL-AWEZNQCLSA-N 1 0 306.410 3.302 20 5 DGBDRO C[C@H]([NH2+]C1CC(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001658892650 1196315915 /nfs/dbraw/zinc/31/59/15/1196315915.db2.gz JXLGEQKCOJIHOM-XGNXJENSSA-N 1 0 320.389 3.366 20 5 DGBDRO CC1(C)CC[N@H+](CCNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001659077933 1196342459 /nfs/dbraw/zinc/34/24/59/1196342459.db2.gz SEFVTTAGXFXRRK-UHFFFAOYSA-N 1 0 311.813 3.070 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@]2(C)CCCC[C@H]2C)c1[N+](=O)[O-] ZINC001659389826 1196378362 /nfs/dbraw/zinc/37/83/62/1196378362.db2.gz RSGILKNVNYENBJ-BZNIZROVSA-N 1 0 308.378 3.367 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@H]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC001660238838 1196461116 /nfs/dbraw/zinc/46/11/16/1196461116.db2.gz FSENHADKAAUUQM-ITGUQSILSA-N 1 0 322.405 3.471 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001660263773 1196463208 /nfs/dbraw/zinc/46/32/08/1196463208.db2.gz WSNVPHUYKFDVDA-CYBMUJFWSA-N 1 0 311.813 3.211 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001660495163 1196490721 /nfs/dbraw/zinc/49/07/21/1196490721.db2.gz SNHVRWFGCGHJPA-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO O=[N+]([O-])c1cccc(CNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC001661625440 1196625450 /nfs/dbraw/zinc/62/54/50/1196625450.db2.gz JEIGHUYFZKXUHF-UHFFFAOYSA-N 1 0 317.433 3.482 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001662349803 1196711131 /nfs/dbraw/zinc/71/11/31/1196711131.db2.gz BVQVEPROKYPTBF-UHFFFAOYSA-N 1 0 310.275 3.344 20 5 DGBDRO CCCN1CC[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC001662946562 1196775140 /nfs/dbraw/zinc/77/51/40/1196775140.db2.gz KUISZMACFNCLJM-HNNXBMFYSA-N 1 0 305.422 3.292 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(C)CCCCO1 ZINC001663377977 1196851679 /nfs/dbraw/zinc/85/16/79/1196851679.db2.gz IJNUWKCTNQOTSJ-INIZCTEOSA-N 1 0 308.378 3.042 20 5 DGBDRO CO[C@@](C)(C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC001663641159 1196919475 /nfs/dbraw/zinc/91/94/75/1196919475.db2.gz JBPMAINJJGKXQJ-HNNXBMFYSA-N 1 0 312.797 3.495 20 5 DGBDRO [NH3+]CCN(CCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001664586991 1197017484 /nfs/dbraw/zinc/01/74/84/1197017484.db2.gz GSAUQJQJZUZNBP-UHFFFAOYSA-N 1 0 319.792 3.256 20 5 DGBDRO COC1(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCCCCC1 ZINC001664627887 1197023199 /nfs/dbraw/zinc/02/31/99/1197023199.db2.gz RWKXVLRFHQTNIB-UHFFFAOYSA-N 1 0 321.421 3.099 20 5 DGBDRO COc1c(C)cccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001665112289 1197099221 /nfs/dbraw/zinc/09/92/21/1197099221.db2.gz OECZZKZFOIBVMO-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001665334091 1197124471 /nfs/dbraw/zinc/12/44/71/1197124471.db2.gz YYFMFSRYPFSBOY-ZDUSSCGKSA-N 1 0 322.409 3.145 20 5 DGBDRO CO[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001665345624 1197126410 /nfs/dbraw/zinc/12/64/10/1197126410.db2.gz OKPRBZPCZWZYQZ-QGZVFWFLSA-N 1 0 306.406 3.322 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001668373228 1197412521 /nfs/dbraw/zinc/41/25/21/1197412521.db2.gz QZMMFCPQZUKFQB-UHFFFAOYSA-N 1 0 322.409 3.145 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)cc(Br)cc1F ZINC001225874749 1096550504 /nfs/dbraw/zinc/55/05/04/1096550504.db2.gz XUJWUXOXJHHEAS-MRVPVSSYSA-N 1 0 309.174 3.201 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001156377799 1081653139 /nfs/dbraw/zinc/65/31/39/1081653139.db2.gz GBJFMWSKDYJUED-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC(C)(C)CO1 ZINC001170192630 1082310681 /nfs/dbraw/zinc/31/06/81/1082310681.db2.gz CBGFLBPXBSAFRC-OAHLLOKOSA-N 1 0 306.406 3.274 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170294875 1082337579 /nfs/dbraw/zinc/33/75/79/1082337579.db2.gz DUPBSCVBTMJRBP-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1ccc(C[C@@H](C)Nc2cccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001170298020 1082338080 /nfs/dbraw/zinc/33/80/80/1082338080.db2.gz YITTVZVKMWERDI-GFCCVEGCSA-N 1 0 315.373 3.105 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccnc2C)c([N+](=O)[O-])c1 ZINC001170298163 1082338751 /nfs/dbraw/zinc/33/87/51/1082338751.db2.gz HBTCFPFROAFZKW-GFCCVEGCSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001170329778 1082347531 /nfs/dbraw/zinc/34/75/31/1082347531.db2.gz UHZIFHVLBUQJIM-OCCSQVGLSA-N 1 0 310.369 3.358 20 5 DGBDRO COc1ccc(C[C@H](C)[NH+]2CCC(C)(OC)CC2)c([N+](=O)[O-])c1 ZINC001170329837 1082347894 /nfs/dbraw/zinc/34/78/94/1082347894.db2.gz VMOMQRXHDHNLRM-ZDUSSCGKSA-N 1 0 322.405 3.035 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@](C)(CF)C2)c([N+](=O)[O-])c1 ZINC001170328720 1082347901 /nfs/dbraw/zinc/34/79/01/1082347901.db2.gz LQVSCQALEOLRFD-MLGOLLRUSA-N 1 0 310.369 3.216 20 5 DGBDRO CCCO[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344359 1082356027 /nfs/dbraw/zinc/35/60/27/1082356027.db2.gz BBSJLFAUZDHMAQ-XJKSGUPXSA-N 1 0 322.405 3.035 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC001170350998 1082358365 /nfs/dbraw/zinc/35/83/65/1082358365.db2.gz DGDVXFYSKUVXKW-DZGCQCFKSA-N 1 0 322.405 3.035 20 5 DGBDRO CC[C@@H]1C[C@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001167499969 1082443211 /nfs/dbraw/zinc/44/32/11/1082443211.db2.gz QLHGTAPWVZGSCY-KGLIPLIRSA-N 1 0 304.390 3.484 20 5 DGBDRO COc1cccc(N2C(C)(C)CC([NH3+])CC2(C)C)c1[N+](=O)[O-] ZINC001167625439 1082619721 /nfs/dbraw/zinc/61/97/21/1082619721.db2.gz SRELIQLVKGFSOM-UHFFFAOYSA-N 1 0 307.394 3.088 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2C[NH2+]CCC[C@@H]2F)cc1Cl ZINC001217979349 1082979328 /nfs/dbraw/zinc/97/93/28/1082979328.db2.gz GASNEZCWQYXATK-CABZTGNLSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@@H]1C[C@@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[NH2+]1 ZINC001218049026 1083019285 /nfs/dbraw/zinc/01/92/85/1083019285.db2.gz IRRHYCCDTKLGDF-SFYZADRCSA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@@H]1C[C@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC001218052843 1083022107 /nfs/dbraw/zinc/02/21/07/1083022107.db2.gz DWXRPRSUKLGZCM-VXNVDRBHSA-N 1 0 305.161 3.421 20 5 DGBDRO CCCC(CCC)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133023530 1083030400 /nfs/dbraw/zinc/03/04/00/1083030400.db2.gz PPOKLVDOMXPZET-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO C[C@H]1CC[C@@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218396796 1083168637 /nfs/dbraw/zinc/16/86/37/1083168637.db2.gz ATRCXQXVBJIHDO-IONNQARKSA-N 1 0 305.161 3.421 20 5 DGBDRO CCN(CCC[NH+]1CCCC1)Cc1cccc([N+](=O)[O-])c1C ZINC001181505385 1083479715 /nfs/dbraw/zinc/47/97/15/1083479715.db2.gz DZQDZVUXZHAEFY-UHFFFAOYSA-N 1 0 305.422 3.211 20 5 DGBDRO C[NH+](C)CCCCC(=O)Nc1cc2cccnc2c2ncccc12 ZINC001184059715 1084098096 /nfs/dbraw/zinc/09/80/96/1084098096.db2.gz NUNWJFQTAKAFPW-UHFFFAOYSA-N 1 0 322.412 3.453 20 5 DGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001185420094 1084433854 /nfs/dbraw/zinc/43/38/54/1084433854.db2.gz BWHKAEMJVQEMAQ-LLVKDONJSA-N 1 0 313.348 3.310 20 5 DGBDRO CCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001187140249 1084763267 /nfs/dbraw/zinc/76/32/67/1084763267.db2.gz JZDOFOIQFZHPRW-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO CC(C)Oc1cc(F)c(COCCC[N+](C)(C)C)c(F)c1 ZINC001224621027 1087416946 /nfs/dbraw/zinc/41/69/46/1087416946.db2.gz IGLUHUVXPSSPTC-UHFFFAOYSA-N 1 0 302.385 3.365 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158264752 1087748824 /nfs/dbraw/zinc/74/88/24/1087748824.db2.gz CLOSHFMDPHZYAK-LRDDRELGSA-N 1 0 306.410 3.254 20 5 DGBDRO Cc1cc(N2CCC[C@](C)(C[NH3+])C2)nc2ccc([N+](=O)[O-])cc12 ZINC001158675495 1087969086 /nfs/dbraw/zinc/96/90/86/1087969086.db2.gz MYRBYAIVGRDYHM-QGZVFWFLSA-N 1 0 314.389 3.017 20 5 DGBDRO Cc1c(Nc2ccc3c(c2)C[NH2+]C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159470856 1088359969 /nfs/dbraw/zinc/35/99/69/1088359969.db2.gz OQZJOPPLVLAQSX-UHFFFAOYSA-N 1 0 314.301 3.158 20 5 DGBDRO CC(C)(C[NH3+])c1ccc(Nc2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001159579743 1088400999 /nfs/dbraw/zinc/40/09/99/1088400999.db2.gz HNPVDMLPCXVNSH-UHFFFAOYSA-N 1 0 301.346 3.280 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccccc1N1CC[NH2+]CC1 ZINC001159814116 1088503487 /nfs/dbraw/zinc/50/34/87/1088503487.db2.gz KQOVWIRDOHVICW-UHFFFAOYSA-N 1 0 312.373 3.056 20 5 DGBDRO O=[N+]([O-])c1cc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)ccc1F ZINC001159923623 1088553005 /nfs/dbraw/zinc/55/30/05/1088553005.db2.gz RARZCHGTXRJSDB-CQSZACIVSA-N 1 0 317.320 3.218 20 5 DGBDRO [NH3+][C@@H]1CCCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001159980055 1088586118 /nfs/dbraw/zinc/58/61/18/1088586118.db2.gz ALHCXEQMJHHBTP-CYBMUJFWSA-N 1 0 312.373 3.266 20 5 DGBDRO [NH3+][C@H]1CCCN(c2ccc(Nc3ccccc3[N+](=O)[O-])cc2)C1 ZINC001159982982 1088588664 /nfs/dbraw/zinc/58/86/64/1088588664.db2.gz XZNCDUWLJZXVGO-ZDUSSCGKSA-N 1 0 312.373 3.266 20 5 DGBDRO Cc1c(Nc2ccccc2CC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159998053 1088595453 /nfs/dbraw/zinc/59/54/53/1088595453.db2.gz SIFVMWCVRCMAJS-UHFFFAOYSA-N 1 0 316.317 3.056 20 5 DGBDRO Cc1ccc(Nc2ccccc2N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001160039604 1088613870 /nfs/dbraw/zinc/61/38/70/1088613870.db2.gz CXPXVPRURFUBGG-CYBMUJFWSA-N 1 0 312.373 3.184 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2ccccc2O[C@@H]2CCC[NH2+]C2)c1 ZINC001160232692 1088712605 /nfs/dbraw/zinc/71/26/05/1088712605.db2.gz GNKKEXRNJVEHND-OAHLLOKOSA-N 1 0 313.357 3.469 20 5 DGBDRO [NH3+]Cc1ccc(Nc2cc([N+](=O)[O-])ccn2)c(C(F)(F)F)c1 ZINC001160418368 1088796821 /nfs/dbraw/zinc/79/68/21/1088796821.db2.gz XUPZCCGXTGZJBA-UHFFFAOYSA-N 1 0 312.251 3.211 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001155033994 1088908460 /nfs/dbraw/zinc/90/84/60/1088908460.db2.gz UZUNLRUMICZJHH-JSGCOSHPSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001155033995 1088908856 /nfs/dbraw/zinc/90/88/56/1088908856.db2.gz UZUNLRUMICZJHH-OCCSQVGLSA-N 1 0 314.389 3.191 20 5 DGBDRO [NH3+]Cc1ccccc1CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001160907049 1089011483 /nfs/dbraw/zinc/01/14/83/1089011483.db2.gz HZVHWKBDBZHWFY-UHFFFAOYSA-N 1 0 308.341 3.214 20 5 DGBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cc1Cl ZINC001155247211 1089022423 /nfs/dbraw/zinc/02/24/23/1089022423.db2.gz DJAWAWUIJGBNRU-MRVPVSSYSA-N 1 0 317.736 3.002 20 5 DGBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c1 ZINC001155348916 1089079170 /nfs/dbraw/zinc/07/91/70/1089079170.db2.gz QAVZVXNBSBXPJC-SNVBAGLBSA-N 1 0 321.340 3.435 20 5 DGBDRO Cc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc2ccc([N+](=O)[O-])cc12 ZINC001155402967 1089095894 /nfs/dbraw/zinc/09/58/94/1089095894.db2.gz ZFWZZHGJMYDPDS-DOTOQJQBSA-N 1 0 312.373 3.148 20 5 DGBDRO O=[N+]([O-])c1cccc2nc(N[C@H]3CC[N@@H+](C4CCC4)C3)ccc21 ZINC001161176724 1089141553 /nfs/dbraw/zinc/14/15/53/1089141553.db2.gz CAXMQZBNWFZVPS-LBPRGKRZSA-N 1 0 312.373 3.182 20 5 DGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001155989581 1089334131 /nfs/dbraw/zinc/33/41/31/1089334131.db2.gz NGQVFWBPTKNBLA-UHFFFAOYSA-N 1 0 320.711 3.185 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001156501478 1089551129 /nfs/dbraw/zinc/55/11/29/1089551129.db2.gz SAJDFXFHDDAZRP-UHFFFAOYSA-N 1 0 317.393 3.003 20 5 DGBDRO C[NH+]1CCC(CCNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001162333493 1089674763 /nfs/dbraw/zinc/67/47/63/1089674763.db2.gz HRHJYAIRBOOBGO-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1ccc2c(ccnc2N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162389980 1089708624 /nfs/dbraw/zinc/70/86/24/1089708624.db2.gz AVNGEVKBLAFJOX-NEPJUHHUSA-N 1 0 300.362 3.133 20 5 DGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162399799 1089715394 /nfs/dbraw/zinc/71/53/94/1089715394.db2.gz DURIZGKOTUUSBW-NXEZZACHSA-N 1 0 313.785 3.247 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001162402540 1089718005 /nfs/dbraw/zinc/71/80/05/1089718005.db2.gz TVDLFXWPBVYFRF-RKDXNWHRSA-N 1 0 319.283 3.175 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001162456821 1089742063 /nfs/dbraw/zinc/74/20/63/1089742063.db2.gz ZBNKJXMHBRBBCD-GXTWGEPZSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC001162457774 1089742177 /nfs/dbraw/zinc/74/21/77/1089742177.db2.gz RFHREBRMFVHESU-STQMWFEESA-N 1 0 314.389 3.191 20 5 DGBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001157010945 1089785461 /nfs/dbraw/zinc/78/54/61/1089785461.db2.gz UUWCKSBACZMTBW-CYBMUJFWSA-N 1 0 314.389 3.062 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@]1(F)CCCC[NH2+]C1 ZINC001162572450 1089798371 /nfs/dbraw/zinc/79/83/71/1089798371.db2.gz GEGOZLXDUCYFKH-INIZCTEOSA-N 1 0 318.352 3.037 20 5 DGBDRO Cc1cc(N(CC[NH+](C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001162741927 1089915903 /nfs/dbraw/zinc/91/59/03/1089915903.db2.gz IKRGLIRLCMFDER-UHFFFAOYSA-N 1 0 313.401 3.471 20 5 DGBDRO CC1(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[NH2+]CC1 ZINC001157406035 1089948999 /nfs/dbraw/zinc/94/89/99/1089948999.db2.gz WAAYAVLYPOTIKA-UHFFFAOYSA-N 1 0 312.373 3.211 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(N2CCCC[C@@]23CCC[NH2+]C3)nc1Cl ZINC001157472266 1089985798 /nfs/dbraw/zinc/98/57/98/1089985798.db2.gz VKDOSESBDCSECG-HNNXBMFYSA-N 1 0 324.812 3.064 20 5 DGBDRO Cc1cc(Cl)nc(N2CCCC[C@@]23CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001157471943 1089986088 /nfs/dbraw/zinc/98/60/88/1089986088.db2.gz QAEAURSFJPADSM-HNNXBMFYSA-N 1 0 324.812 3.064 20 5 DGBDRO CC1([NH3+])CN(C(=O)CCc2c3ccccc3cc3ccccc32)C1 ZINC001157644000 1090055283 /nfs/dbraw/zinc/05/52/83/1090055283.db2.gz LUEZMORPANSSNZ-UHFFFAOYSA-N 1 0 318.420 3.485 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001163036331 1090058840 /nfs/dbraw/zinc/05/88/40/1090058840.db2.gz ZFNYZRWTIXHDTO-UHFFFAOYSA-N 1 0 300.790 3.353 20 5 DGBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001157738978 1090092576 /nfs/dbraw/zinc/09/25/76/1090092576.db2.gz AXBOICFZLIUNPV-ONGXEEELSA-N 1 0 320.780 3.112 20 5 DGBDRO CC(C)N(c1ccc2c(cccc2[N+](=O)[O-])n1)C(C)(C)C[NH3+] ZINC001163187997 1090105760 /nfs/dbraw/zinc/10/57/60/1090105760.db2.gz IRNXDJPUSAFPEA-UHFFFAOYSA-N 1 0 302.378 3.095 20 5 DGBDRO CCCN(CC[NH+]1CCCC1)c1c(F)cc([N+](=O)[O-])cc1F ZINC001163265542 1090134433 /nfs/dbraw/zinc/13/44/33/1090134433.db2.gz LZAOWSXFVRTXDY-UHFFFAOYSA-N 1 0 313.348 3.185 20 5 DGBDRO O=[N+]([O-])c1cccc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC001163314185 1090147781 /nfs/dbraw/zinc/14/77/81/1090147781.db2.gz CKEAXFMTBFSFOT-CQSZACIVSA-N 1 0 316.405 3.222 20 5 DGBDRO [NH3+]C1(CNc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CCC1 ZINC001163326478 1090151234 /nfs/dbraw/zinc/15/12/34/1090151234.db2.gz CRYSONABQGUFSU-UHFFFAOYSA-N 1 0 306.753 3.090 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc(Cl)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC001163362764 1090164073 /nfs/dbraw/zinc/16/40/73/1090164073.db2.gz NYJWHHWYYIGDTF-QWRGUYRKSA-N 1 0 312.801 3.174 20 5 DGBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001163367384 1090166619 /nfs/dbraw/zinc/16/66/19/1090166619.db2.gz YXAPGNQAVPCHPZ-SMDDNHRTSA-N 1 0 306.410 3.137 20 5 DGBDRO Cc1cnc(C[NH3+])n1-c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001158164156 1090194621 /nfs/dbraw/zinc/19/46/21/1090194621.db2.gz HAMKDOZCBCCVHG-UHFFFAOYSA-N 1 0 323.787 3.389 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1N[C@H](C(=O)OC)C(C)(C)C ZINC001163508744 1090203067 /nfs/dbraw/zinc/20/30/67/1090203067.db2.gz RJXRTWGDCORDTN-MRXNPFEDSA-N 1 0 307.458 3.283 20 5 DGBDRO Cc1cc(C[NH3+])nn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001163985991 1090307917 /nfs/dbraw/zinc/30/79/17/1090307917.db2.gz MWJIFIPKKOVHGB-UHFFFAOYSA-N 1 0 308.341 3.215 20 5 DGBDRO CC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001165067690 1090459332 /nfs/dbraw/zinc/45/93/32/1090459332.db2.gz HNBNSNUEQRBNDB-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001165319812 1090502452 /nfs/dbraw/zinc/50/24/52/1090502452.db2.gz LULULICCJGNSIA-CYBMUJFWSA-N 1 0 324.812 3.002 20 5 DGBDRO Cc1c(F)cnc(N2C[C@@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001168546924 1090530858 /nfs/dbraw/zinc/53/08/58/1090530858.db2.gz ZEFKEHMFQKNRBT-LLVKDONJSA-N 1 0 316.336 3.021 20 5 DGBDRO Cc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC001649112881 1090600953 /nfs/dbraw/zinc/60/09/53/1090600953.db2.gz ZNADEEIGVSMDDJ-UHFFFAOYSA-N 1 0 306.387 3.442 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCN(C3CCCCC3)C2)cc1 ZINC001206715485 1090607913 /nfs/dbraw/zinc/60/79/13/1090607913.db2.gz SLOXHRCIPHTSMX-MRXNPFEDSA-N 1 0 317.433 3.134 20 5 DGBDRO CCOc1ccc(NC(=O)C[N@H+](CC)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001117804993 1091074449 /nfs/dbraw/zinc/07/44/49/1091074449.db2.gz SAHZYGOYDPEFNI-UHFFFAOYSA-N 1 0 323.393 3.052 20 5 DGBDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001205841405 1091375003 /nfs/dbraw/zinc/37/50/03/1091375003.db2.gz JRLCEZJUONOGIX-KSSFIOAISA-N 1 0 320.440 3.342 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC001161186223 1091511739 /nfs/dbraw/zinc/51/17/39/1091511739.db2.gz DSQJINCGDUHUBT-ZDUSSCGKSA-N 1 0 324.812 3.320 20 5 DGBDRO C[C@@H]1C(=O)NCC[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141728603 1092324544 /nfs/dbraw/zinc/32/45/44/1092324544.db2.gz ZFBZOCRTXPIZEM-CQSZACIVSA-N 1 0 304.393 3.313 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2c(F)cc(Cl)cc2F)C1 ZINC001168978016 1092456813 /nfs/dbraw/zinc/45/68/13/1092456813.db2.gz NULJMASWBUKRDH-WPRPVWTQSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2c(F)cccc2Cl)C1 ZINC001168958219 1092462552 /nfs/dbraw/zinc/46/25/52/1092462552.db2.gz LNZGJQPPSXLPTL-QWRGUYRKSA-N 1 0 300.761 3.057 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC001168956886 1092462794 /nfs/dbraw/zinc/46/27/94/1092462794.db2.gz GGFSXGOUAOZEGD-AAEUAGOBSA-N 1 0 302.296 3.240 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC001168985196 1092462910 /nfs/dbraw/zinc/46/29/10/1092462910.db2.gz RNRMXULVZQMUAF-JSGCOSHPSA-N 1 0 317.414 3.345 20 5 DGBDRO Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168961878 1092464789 /nfs/dbraw/zinc/46/47/89/1092464789.db2.gz KQMXGSFIKYDIIL-HIFRSBDPSA-N 1 0 301.390 3.069 20 5 DGBDRO Cc1ccc(Cl)c(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1F ZINC001168963950 1092466389 /nfs/dbraw/zinc/46/63/89/1092466389.db2.gz QVRSPTSSIZNFBX-GHMZBOCLSA-N 1 0 300.761 3.323 20 5 DGBDRO [NH2+]=C(N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001168967339 1092468522 /nfs/dbraw/zinc/46/85/22/1092468522.db2.gz OUEFVKPXLJTZOT-BVOGVELGSA-N 1 0 305.422 3.215 20 5 DGBDRO Cc1c(C)n([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccc(C[NH3+])cc12 ZINC001168967088 1092468650 /nfs/dbraw/zinc/46/86/50/1092468650.db2.gz NEZYMBGUQBIYGF-GJZGRUSLSA-N 1 0 301.390 3.335 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)C1 ZINC001168995604 1092476367 /nfs/dbraw/zinc/47/63/67/1092476367.db2.gz SBOBMDUHOLELOV-HOCLYGCPSA-N 1 0 306.381 3.326 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cccc(Cl)c2F)C1 ZINC001169000650 1092481652 /nfs/dbraw/zinc/48/16/52/1092481652.db2.gz YKXSGOZCHXTEPI-PWSUYJOCSA-N 1 0 300.761 3.057 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ncccc2Cl)C2CC2)C1 ZINC001169006221 1092484836 /nfs/dbraw/zinc/48/48/36/1092484836.db2.gz WRTCPOZNOIERBL-SCDSUCTJSA-N 1 0 309.797 3.221 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CCc4ccccc43)CC2)C1 ZINC001169011881 1092487687 /nfs/dbraw/zinc/48/76/87/1092487687.db2.gz NDRPAJDFLTUJGU-RDJZCZTQSA-N 1 0 314.429 3.412 20 5 DGBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986702 1092489852 /nfs/dbraw/zinc/48/98/52/1092489852.db2.gz YPYYKIPNVWBFHD-GUTXKFCHSA-N 1 0 314.389 3.188 20 5 DGBDRO [NH3+][C@@H]1CCc2c3ccccc3n([C@H]3CC[C@H](C[N+](=O)[O-])C3)c2C1 ZINC001168988215 1092491727 /nfs/dbraw/zinc/49/17/27/1092491727.db2.gz PBTTXKFUOQPVDS-MJBXVCDLSA-N 1 0 313.401 3.075 20 5 DGBDRO [NH3+]Cc1ccc(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C(F)(F)F ZINC001168986918 1092492216 /nfs/dbraw/zinc/49/22/16/1092492216.db2.gz GDJUKUZXDYHOGC-MWLCHTKSSA-N 1 0 317.311 3.021 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC3CCC3)c2)C1 ZINC001168990207 1092492615 /nfs/dbraw/zinc/49/26/15/1092492615.db2.gz YHDRHHMFILQCAQ-DLBZAZTESA-N 1 0 318.417 3.401 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC001169034943 1092497159 /nfs/dbraw/zinc/49/71/59/1092497159.db2.gz ISYBGGVWCVQLMR-KBMXLJTQSA-N 1 0 306.431 3.222 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](OCc3ccccc3)C2)C1 ZINC001169040207 1092500053 /nfs/dbraw/zinc/50/00/53/1092500053.db2.gz YTMPUIPXTUKFAG-FGTMMUONSA-N 1 0 318.417 3.113 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2c3ccc(F)cc3c3c2CC[NH2+]C3)C1 ZINC001169039535 1092500518 /nfs/dbraw/zinc/50/05/18/1092500518.db2.gz QXHFIMGLJOPQMR-AAEUAGOBSA-N 1 0 317.364 3.044 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](OCc3ccccc3)C2)C1 ZINC001169040208 1092501285 /nfs/dbraw/zinc/50/12/85/1092501285.db2.gz YTMPUIPXTUKFAG-KURKYZTESA-N 1 0 318.417 3.113 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC001169025903 1092504852 /nfs/dbraw/zinc/50/48/52/1092504852.db2.gz JSAWOWQTBOOQMR-UKRRQHHQSA-N 1 0 322.380 3.114 20 5 DGBDRO Cc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169025023 1092505340 /nfs/dbraw/zinc/50/53/40/1092505340.db2.gz IMMOQLVMTRPFEN-LZLYRXPVSA-N 1 0 318.417 3.284 20 5 DGBDRO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049196 1092510164 /nfs/dbraw/zinc/51/01/64/1092510164.db2.gz WHQWQHNCQGPNKY-USXIJHARSA-N 1 0 318.417 3.415 20 5 DGBDRO Cc1cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001169147590 1092563067 /nfs/dbraw/zinc/56/30/67/1092563067.db2.gz UCMHETOWPLBPDX-LRDDRELGSA-N 1 0 306.410 3.254 20 5 DGBDRO COC[C@H]1C[NH2+]CCN1Cc1c2ccccc2cc2ccccc21 ZINC001210531619 1093199562 /nfs/dbraw/zinc/19/95/62/1093199562.db2.gz VPKFDODIONBJBZ-GOSISDBHSA-N 1 0 320.436 3.413 20 5 DGBDRO Cc1c(Nc2ccc3[nH+]ccn3c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291805 1093446818 /nfs/dbraw/zinc/44/68/18/1093446818.db2.gz CYTBFJBSRYIKPY-UHFFFAOYSA-N 1 0 313.273 3.203 20 5 DGBDRO O=C(CC[NH2+][C@H]1CC12CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC001120589206 1094464391 /nfs/dbraw/zinc/46/43/91/1094464391.db2.gz NEBQODRXZBIGIB-HNNXBMFYSA-N 1 0 317.389 3.236 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@H]1OCc1ccc([N+](=O)[O-])c2ccccc12 ZINC001217787917 1094495614 /nfs/dbraw/zinc/49/56/14/1094495614.db2.gz AJEBQWWRXRIMDS-SJKOYZFVSA-N 1 0 300.358 3.263 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217945732 1094524491 /nfs/dbraw/zinc/52/44/91/1094524491.db2.gz MMCYPBDTQMSJGW-GXSJLCMTSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@H]1CCCC[NH2+]C1 ZINC001217976278 1094538646 /nfs/dbraw/zinc/53/86/46/1094538646.db2.gz PVEVRXSZSGKTSL-HNNXBMFYSA-N 1 0 319.405 3.106 20 5 DGBDRO F[C@H]1CCC[NH2+]C[C@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001217979621 1094539026 /nfs/dbraw/zinc/53/90/26/1094539026.db2.gz HGWUENULOUTTPT-SCLBCKFNSA-N 1 0 311.360 3.252 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001217994299 1094548641 /nfs/dbraw/zinc/54/86/41/1094548641.db2.gz ZAKSINWEAMVRCH-RNCFNFMXSA-N 1 0 318.295 3.381 20 5 DGBDRO CC(C)(C)c1ccc(O[C@H]2CC[NH2+]CC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001218013488 1094558935 /nfs/dbraw/zinc/55/89/35/1094558935.db2.gz RPOKXRHNBJUXQP-JSGCOSHPSA-N 1 0 310.369 3.361 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001218025097 1094566230 /nfs/dbraw/zinc/56/62/30/1094566230.db2.gz CWRWSLMJDHSSFZ-SKDRFNHKSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@@H]1C[C@@H](Oc2ccc3c(c2)oc2ccccc2c3=O)CC[NH2+]1 ZINC001218057461 1094580743 /nfs/dbraw/zinc/58/07/43/1094580743.db2.gz RQMHZPGHDODVMI-OCCSQVGLSA-N 1 0 309.365 3.466 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2CC[NH2+]C[C@@H]2F)cc1 ZINC001218074467 1094588681 /nfs/dbraw/zinc/58/86/81/1094588681.db2.gz ZYYVHUFGHSENFM-RDJZCZTQSA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218098756 1094602937 /nfs/dbraw/zinc/60/29/37/1094602937.db2.gz QZKVIDSAMAATPH-WBVHZDCISA-N 1 0 313.357 3.054 20 5 DGBDRO Cc1cc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c(C)c(C)c1[N+](=O)[O-] ZINC001218099306 1094603024 /nfs/dbraw/zinc/60/30/24/1094603024.db2.gz UEOKZIUPTWLSRQ-NVXWUHKLSA-N 1 0 304.390 3.431 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3CSC4(C[NH2+]C4)C3)nc2c1 ZINC001218103978 1094606432 /nfs/dbraw/zinc/60/64/32/1094606432.db2.gz STDOLRRXANAHKD-LBPRGKRZSA-N 1 0 323.421 3.009 20 5 DGBDRO O=c1oc2cc(O[C@H]3CC[C@]34CC[NH2+]C4)ccc2c2ccccc21 ZINC001218113495 1094610855 /nfs/dbraw/zinc/61/08/55/1094610855.db2.gz AIQVYQRGHAZTPH-AZUAARDMSA-N 1 0 321.376 3.467 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218115964 1094613784 /nfs/dbraw/zinc/61/37/84/1094613784.db2.gz IISDNACPBMXNOA-YPMHNXCESA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218119386 1094618086 /nfs/dbraw/zinc/61/80/86/1094618086.db2.gz XXANKMYTUXKXNU-OLZOCXBDSA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CCC23C[NH2+]C3)c(Cl)c1 ZINC001218241569 1094674761 /nfs/dbraw/zinc/67/47/61/1094674761.db2.gz TYJWCMLKAKZSLQ-SNVBAGLBSA-N 1 0 303.145 3.032 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3C[C@H]4CC[NH2+][C@@H]4C3)nc2c1 ZINC001218251138 1094682091 /nfs/dbraw/zinc/68/20/91/1094682091.db2.gz QRRSEJPKDXECBD-PBFPGSCMSA-N 1 0 305.381 3.302 20 5 DGBDRO Oc1c2ccccc2c(OC[C@H]2C[NH2+]CCCO2)c2ccccc12 ZINC001218301165 1094705075 /nfs/dbraw/zinc/70/50/75/1094705075.db2.gz YUMDCBZBQRVXOC-CQSZACIVSA-N 1 0 323.392 3.456 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(O[C@H]3CC[NH2+]C4(CCC4)C3)sc2c1 ZINC001218308362 1094705954 /nfs/dbraw/zinc/70/59/54/1094705954.db2.gz YERHMZCOBFSVJU-NSHDSACASA-N 1 0 319.386 3.258 20 5 DGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001218311934 1094709142 /nfs/dbraw/zinc/70/91/42/1094709142.db2.gz QPOAMBHTLDBDQD-LBPRGKRZSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cccc(Cl)c3F)C2)c1 ZINC001336742659 1094718783 /nfs/dbraw/zinc/71/87/83/1094718783.db2.gz OKYZAFIDAAMDDC-UHFFFAOYSA-N 1 0 324.743 3.077 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)cc1 ZINC001218330089 1094720233 /nfs/dbraw/zinc/72/02/33/1094720233.db2.gz KEKFYVHHXOMZHV-MZMPZRCHSA-N 1 0 310.353 3.249 20 5 DGBDRO C[C@@H]1CC[C@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C[NH2+]1 ZINC001218399338 1094750742 /nfs/dbraw/zinc/75/07/42/1094750742.db2.gz PLFODHXEXYVUOE-OCCSQVGLSA-N 1 0 309.365 3.466 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001218418451 1094765038 /nfs/dbraw/zinc/76/50/38/1094765038.db2.gz ZJNSUOJBJBZTQD-CBAPKCEASA-N 1 0 305.161 3.278 20 5 DGBDRO c1ccc2nc3cc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@@H]45)ccc3nc2c1 ZINC001218458560 1094786927 /nfs/dbraw/zinc/78/69/27/1094786927.db2.gz BUCIXVWQKSZGEO-BBEGDGIKSA-N 1 0 305.381 3.160 20 5 DGBDRO O=c1oc2cc(O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)ccc2c2ccccc21 ZINC001218459003 1094788321 /nfs/dbraw/zinc/78/83/21/1094788321.db2.gz AZOGVJYTROVLLR-JBBXEZCESA-N 1 0 321.376 3.323 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)ccc21 ZINC001218458567 1094788781 /nfs/dbraw/zinc/78/87/81/1094788781.db2.gz BUFDKDOYMYTLQH-ULFGMLNVSA-N 1 0 321.376 3.323 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001218473771 1094796912 /nfs/dbraw/zinc/79/69/12/1094796912.db2.gz CNLJQAJGTJBSAS-PTHKFVFGSA-N 1 0 303.145 3.173 20 5 DGBDRO CC1(C)C[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218476771 1094799545 /nfs/dbraw/zinc/79/95/45/1094799545.db2.gz TZYZHJVEPUHLGM-QMMMGPOBSA-N 1 0 302.733 3.297 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218487263 1094813537 /nfs/dbraw/zinc/81/35/37/1094813537.db2.gz IAQXCLAHQRJHIP-OAHLLOKOSA-N 1 0 304.733 3.472 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]Cc3ccccc32)c(F)cc1F ZINC001218487273 1094814787 /nfs/dbraw/zinc/81/47/87/1094814787.db2.gz SGIZFOXSZJUCJP-OAHLLOKOSA-N 1 0 306.268 3.096 20 5 DGBDRO O=[N+]([O-])c1cc(F)cc(F)c1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218489485 1094817170 /nfs/dbraw/zinc/81/71/70/1094817170.db2.gz PHFXAAOSJVLAKG-CQSZACIVSA-N 1 0 306.268 3.096 20 5 DGBDRO O=C(C=C1CC[NH2+]CC1)Nc1cc2cccnc2c2ncccc12 ZINC001218980033 1094920963 /nfs/dbraw/zinc/92/09/63/1094920963.db2.gz PTPPBVYTROPBBM-UHFFFAOYSA-N 1 0 318.380 3.031 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(OC[C@@H]2CCCC[NH2+]C2)cc1F ZINC000697088928 1095041795 /nfs/dbraw/zinc/04/17/95/1095041795.db2.gz MAPSXPHHMLNDHU-SECBINFHSA-N 1 0 302.733 3.156 20 5 DGBDRO C[C@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001337914513 1095137820 /nfs/dbraw/zinc/13/78/20/1095137820.db2.gz MWVSSVSIAFFFTD-QWHCGFSZSA-N 1 0 318.421 3.242 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001115907970 1095417494 /nfs/dbraw/zinc/41/74/94/1095417494.db2.gz RPOALCSEDBEYJU-LSDHHAIUSA-N 1 0 304.390 3.486 20 5 DGBDRO Cc1cc(N2CCC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC001116191664 1095480318 /nfs/dbraw/zinc/48/03/18/1095480318.db2.gz YOXQLNLZYJPWNO-LBPRGKRZSA-N 1 0 309.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001116478409 1095571111 /nfs/dbraw/zinc/57/11/11/1095571111.db2.gz HVOJMUXTYBFIKD-YSVLISHTSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001222790447 1095754604 /nfs/dbraw/zinc/75/46/04/1095754604.db2.gz UXIRKZYNEJMGDW-SFHVURJKSA-N 1 0 312.369 3.386 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H](C(C)C)[C@@H](C)[NH3+])n1 ZINC001117964961 1095910680 /nfs/dbraw/zinc/91/06/80/1095910680.db2.gz GEHJUOYZKSVRGX-BXUZGUMPSA-N 1 0 318.377 3.348 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H](C(C)C)[C@H](C)[NH3+])n1 ZINC001117964964 1095910831 /nfs/dbraw/zinc/91/08/31/1095910831.db2.gz GEHJUOYZKSVRGX-SMDDNHRTSA-N 1 0 318.377 3.348 20 5 DGBDRO COc1cc(COC2CC[NH+](C(C)(C)C)CC2)cc([N+](=O)[O-])c1 ZINC001223393881 1095957049 /nfs/dbraw/zinc/95/70/49/1095957049.db2.gz HBPHKBMKQLHSSF-UHFFFAOYSA-N 1 0 322.405 3.383 20 5 DGBDRO C[C@H](C[NH+](C)C)OCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC001223732280 1096048331 /nfs/dbraw/zinc/04/83/31/1096048331.db2.gz ZMONKIYVGULFQK-LLVKDONJSA-N 1 0 321.402 3.185 20 5 DGBDRO COCCC[NH+]1CCC(O[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001224022394 1096117783 /nfs/dbraw/zinc/11/77/83/1096117783.db2.gz PLKYDNRMRCHSKE-AWEZNQCLSA-N 1 0 322.405 3.173 20 5 DGBDRO O=[N+]([O-])c1cc(NC[C@@H]2CCCC[NH2+]2)ccc1C(F)(F)F ZINC001171334021 1096394819 /nfs/dbraw/zinc/39/48/19/1096394819.db2.gz JNKNRRFPRPISOC-JTQLQIEISA-N 1 0 303.284 3.168 20 5 DGBDRO O=[N+]([O-])c1cc(NC[C@@H]2CCCC[NH2+]2)ccc1OC(F)(F)F ZINC001171335043 1096406255 /nfs/dbraw/zinc/40/62/55/1096406255.db2.gz ROJGXBBKAJYHSY-JTQLQIEISA-N 1 0 319.283 3.047 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC001225778888 1096527783 /nfs/dbraw/zinc/52/77/83/1096527783.db2.gz KWAKVRDUJZURDM-MGCOHNPYSA-N 1 0 300.305 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC001225911768 1096561038 /nfs/dbraw/zinc/56/10/38/1096561038.db2.gz BDNMTTULTLMEPX-OAHLLOKOSA-N 1 0 316.332 3.387 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])CC1 ZINC001225963414 1096576048 /nfs/dbraw/zinc/57/60/48/1096576048.db2.gz RKCUZRAYTCEROA-MGCOHNPYSA-N 1 0 300.305 3.125 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226181643 1096631036 /nfs/dbraw/zinc/63/10/36/1096631036.db2.gz SODPQRUEWMBQPN-JTQLQIEISA-N 1 0 300.305 3.125 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001226208210 1096637617 /nfs/dbraw/zinc/63/76/17/1096637617.db2.gz RXZGMSAPQBUBNL-QMMMGPOBSA-N 1 0 308.185 3.375 20 5 DGBDRO CC[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226302428 1096657759 /nfs/dbraw/zinc/65/77/59/1096657759.db2.gz ZPDYWJZGAJTBDP-JTQLQIEISA-N 1 0 304.268 3.087 20 5 DGBDRO C[NH+]1CCC(Oc2ccc3c(c2)oc(=O)c2ccccc32)CC1 ZINC001226511928 1096709186 /nfs/dbraw/zinc/70/91/86/1096709186.db2.gz LOSCWCHNQACMBY-UHFFFAOYSA-N 1 0 309.365 3.419 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908109 1096812574 /nfs/dbraw/zinc/81/25/74/1096812574.db2.gz DDRBWXMPVKZBAZ-VIFPVBQESA-N 1 0 302.733 3.250 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH+]3CCC2CC3)ccc1C(F)(F)F ZINC001226965146 1096829942 /nfs/dbraw/zinc/82/99/42/1096829942.db2.gz WNNXCVUNGVIDKX-ZDUSSCGKSA-N 1 0 316.279 3.087 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)n1 ZINC001227062003 1096857818 /nfs/dbraw/zinc/85/78/18/1096857818.db2.gz FOFWXYKOGWUYIU-WDNDVIMCSA-N 1 0 305.378 3.081 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1nc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001227244348 1096903950 /nfs/dbraw/zinc/90/39/50/1096903950.db2.gz YJFOEEDWAHQVPQ-VIFPVBQESA-N 1 0 321.299 3.118 20 5 DGBDRO CC(C)CCOC(=O)c1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001227583163 1096954715 /nfs/dbraw/zinc/95/47/15/1096954715.db2.gz KXJKUHGFDQQTAP-HNNXBMFYSA-N 1 0 308.442 3.363 20 5 DGBDRO CN1CCO[C@H](COc2cccc3ccc4cccnc4c32)C1 ZINC001227763892 1096983964 /nfs/dbraw/zinc/98/39/64/1096983964.db2.gz HTYJPVODHFTJAZ-INIZCTEOSA-N 1 0 308.381 3.097 20 5 DGBDRO COC(=O)c1cc(Cl)c(O[C@@H](C)C[N+](C)(C)C)c(Cl)c1 ZINC001227832264 1096997478 /nfs/dbraw/zinc/99/74/78/1096997478.db2.gz NPXAAWMQPZUFFH-VIFPVBQESA-N 1 0 321.224 3.254 20 5 DGBDRO C[NH+](C)CC[C@H](Oc1cncc([N+](=O)[O-])c1)c1cccs1 ZINC001227987900 1097025971 /nfs/dbraw/zinc/02/59/71/1097025971.db2.gz LQRLXWTUQBEHGH-ZDUSSCGKSA-N 1 0 307.375 3.123 20 5 DGBDRO O=[N+]([O-])c1cncc(OC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001227988318 1097026415 /nfs/dbraw/zinc/02/64/15/1097026415.db2.gz QUJOWNHAAOSQPW-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2cc([N+](=O)[O-])cc(F)c2F)CC1 ZINC001228017621 1097033010 /nfs/dbraw/zinc/03/30/10/1097033010.db2.gz XWZQUWGYNVOUJA-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001228179546 1097068574 /nfs/dbraw/zinc/06/85/74/1097068574.db2.gz IRVQHDIFMHDLFG-CQSZACIVSA-N 1 0 309.365 3.419 20 5 DGBDRO O=[N+]([O-])c1ccncc1O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001228879076 1097209475 /nfs/dbraw/zinc/20/94/75/1097209475.db2.gz BNHPAYSQUQFFRW-OAHLLOKOSA-N 1 0 313.357 3.033 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001229006343 1097235098 /nfs/dbraw/zinc/23/50/98/1097235098.db2.gz XPNRZJMVUOHFGD-AGGWBTHJSA-N 1 0 313.357 3.147 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CCSCC1)CC2 ZINC001172899680 1097267714 /nfs/dbraw/zinc/26/77/14/1097267714.db2.gz OUUIGDCMNFKBRT-AWEZNQCLSA-N 1 0 306.431 3.327 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCOC1CCCC1)CC2 ZINC001172901733 1097268418 /nfs/dbraw/zinc/26/84/18/1097268418.db2.gz JXXVPEOEYVVHHG-MRXNPFEDSA-N 1 0 318.417 3.391 20 5 DGBDRO CC1(C)C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172912458 1097277212 /nfs/dbraw/zinc/27/72/12/1097277212.db2.gz ARISYSNVWPAVAH-HNNXBMFYSA-N 1 0 316.401 3.143 20 5 DGBDRO CC1(C)[C@@H]2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]21 ZINC001172914171 1097279470 /nfs/dbraw/zinc/27/94/70/1097279470.db2.gz DLAYHZKTAXERJG-BHYGNILZSA-N 1 0 300.402 3.430 20 5 DGBDRO CCO[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917839 1097280229 /nfs/dbraw/zinc/28/02/29/1097280229.db2.gz XKNZPABZWJJTQP-AEFFLSMTSA-N 1 0 318.417 3.343 20 5 DGBDRO C[NH+]1C(C)(C)CC(Oc2cc([N+](=O)[O-])ccc2O)CC1(C)C ZINC001229395712 1097311760 /nfs/dbraw/zinc/31/17/60/1097311760.db2.gz JZPIVGYNOPWLPB-UHFFFAOYSA-N 1 0 308.378 3.331 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)cc(F)c1Br ZINC001229594062 1097350797 /nfs/dbraw/zinc/35/07/97/1097350797.db2.gz NCSVGWQKZVIXIR-MRVPVSSYSA-N 1 0 309.174 3.201 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c1F ZINC001173177132 1097355925 /nfs/dbraw/zinc/35/59/25/1097355925.db2.gz PCPULKZNVSECQI-DMDPSCGWSA-N 1 0 310.369 3.452 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCC23CC3)c1F ZINC001173186831 1097357715 /nfs/dbraw/zinc/35/77/15/1097357715.db2.gz VNXFSGGRXKEQDO-NSHDSACASA-N 1 0 308.353 3.302 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(C)CC2)c1F ZINC001173187058 1097358055 /nfs/dbraw/zinc/35/80/55/1097358055.db2.gz VYTGPKNOAUGMTE-LBPRGKRZSA-N 1 0 310.369 3.405 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1F ZINC001173195683 1097358521 /nfs/dbraw/zinc/35/85/21/1097358521.db2.gz IQGKWBKKKGMUCB-WCFLWFBJSA-N 1 0 322.380 3.261 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC001173215089 1097366587 /nfs/dbraw/zinc/36/65/87/1097366587.db2.gz RTJFMCJYDNMBHT-SUMWQHHRSA-N 1 0 312.369 3.119 20 5 DGBDRO CCCN(CCC)CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215329 1097366876 /nfs/dbraw/zinc/36/68/76/1097366876.db2.gz VASSJZBKBUZSSI-HNNXBMFYSA-N 1 0 307.438 3.237 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)c1ccccc1F ZINC001173216024 1097367778 /nfs/dbraw/zinc/36/77/78/1097367778.db2.gz HFBOBDQVCOVLCK-LBPRGKRZSA-N 1 0 316.332 3.137 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@](C)(CO)c1ccccc1 ZINC001173219493 1097370176 /nfs/dbraw/zinc/37/01/76/1097370176.db2.gz CIZBYWVUJWEOQW-RDTXWAMCSA-N 1 0 314.385 3.023 20 5 DGBDRO CCOc1cccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173220444 1097371410 /nfs/dbraw/zinc/37/14/10/1097371410.db2.gz CFQGFDNPJWDVJX-ZDUSSCGKSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001173221684 1097371923 /nfs/dbraw/zinc/37/19/23/1097371923.db2.gz LGYRWFYXXRPWFI-WMLDXEAASA-N 1 0 304.390 3.171 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c(C[NH3+])cc2ccncc21 ZINC001173221365 1097372347 /nfs/dbraw/zinc/37/23/47/1097372347.db2.gz MNJGYGUHYDLCMJ-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](C)(O)[C@@H](C)C1 ZINC001173221673 1097372413 /nfs/dbraw/zinc/37/24/13/1097372413.db2.gz LFJBQJLDOGSVAW-JJRVBVJISA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)c1ccccc1 ZINC001173232831 1097377331 /nfs/dbraw/zinc/37/73/31/1097377331.db2.gz GERNHCHVQBAZQV-AWEZNQCLSA-N 1 0 312.369 3.388 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCCOC2)CC1 ZINC001173231953 1097377567 /nfs/dbraw/zinc/37/75/67/1097377567.db2.gz PFSLHIDVBZNPPY-HNNXBMFYSA-N 1 0 318.417 3.418 20 5 DGBDRO Cc1nc(C)c(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001173233620 1097377805 /nfs/dbraw/zinc/37/78/05/1097377805.db2.gz JZMIEIHOIBDVLX-SNVBAGLBSA-N 1 0 305.403 3.389 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(CC[NH3+])c2ncccc21 ZINC001173234162 1097378324 /nfs/dbraw/zinc/37/83/24/1097378324.db2.gz OCFKIRASWCWZHP-ZDUSSCGKSA-N 1 0 324.384 3.249 20 5 DGBDRO Cc1ccc(F)c(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173234138 1097378466 /nfs/dbraw/zinc/37/84/66/1097378466.db2.gz NPOQXLBHVYOFCV-LBPRGKRZSA-N 1 0 303.337 3.158 20 5 DGBDRO C[C@H](CN1CCC(C)CC1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234372 1097378479 /nfs/dbraw/zinc/37/84/79/1097378479.db2.gz OKHMFSPDDZOJEQ-JKSUJKDBSA-N 1 0 319.449 3.236 20 5 DGBDRO COc1ccccc1CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173208646 1097380305 /nfs/dbraw/zinc/38/03/05/1097380305.db2.gz AEKYQFRUIZUHQU-CQSZACIVSA-N 1 0 314.385 3.367 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Cl)ccn1 ZINC001173211537 1097381182 /nfs/dbraw/zinc/38/11/82/1097381182.db2.gz SMWMSRUFLUVFIB-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cccc(O)c1 ZINC001173212976 1097381428 /nfs/dbraw/zinc/38/14/28/1097381428.db2.gz DRXHXFMHDRVXGJ-ZDUSSCGKSA-N 1 0 300.358 3.064 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1(O)CCCCC1 ZINC001173214244 1097381769 /nfs/dbraw/zinc/38/17/69/1097381769.db2.gz NUBNWLOAJNIHHQ-AWEZNQCLSA-N 1 0 306.406 3.201 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(Cl)n1 ZINC001173214451 1097382261 /nfs/dbraw/zinc/38/22/61/1097382261.db2.gz CCYADGFWHATFPP-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC001230315309 1097473940 /nfs/dbraw/zinc/47/39/40/1097473940.db2.gz MLTWDJGERPQZHF-UHFFFAOYSA-N 1 0 323.349 3.145 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001230493611 1097498012 /nfs/dbraw/zinc/49/80/12/1097498012.db2.gz GTGBMNKHIXNKDT-GFCCVEGCSA-N 1 0 323.349 3.063 20 5 DGBDRO C[N@@H+]1CC[C@H](Oc2c3c(O)cccc3cc3cccc(O)c32)C1 ZINC001230760906 1097576501 /nfs/dbraw/zinc/57/65/01/1097576501.db2.gz KBXYCGDBWDGLCM-AWEZNQCLSA-N 1 0 309.365 3.487 20 5 DGBDRO COc1cccc(OCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001176027636 1098236182 /nfs/dbraw/zinc/23/61/82/1098236182.db2.gz AHAHYNSUEWCRKW-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO COC(=O)[C@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001176035866 1098238707 /nfs/dbraw/zinc/23/87/07/1098238707.db2.gz FVVSSEJNDMOMJZ-BJJXKVORSA-N 1 0 320.389 3.225 20 5 DGBDRO Cc1ccnc([N+](=O)[O-])c1O[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001233556251 1098375885 /nfs/dbraw/zinc/37/58/85/1098375885.db2.gz LNFTXTQFODOQFS-HNNXBMFYSA-N 1 0 315.373 3.370 20 5 DGBDRO CCOC(=O)c1cc2oc(C)cc2c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001233870887 1098446803 /nfs/dbraw/zinc/44/68/03/1098446803.db2.gz KPKSGCJUMUJWJZ-ZDUSSCGKSA-N 1 0 320.409 3.391 20 5 DGBDRO Cc1nccc([N+](=O)[O-])c1OC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001234902139 1098703391 /nfs/dbraw/zinc/70/33/91/1098703391.db2.gz XACKYORUNWLPJK-UHFFFAOYSA-N 1 0 307.394 3.328 20 5 DGBDRO COc1cc(O[C@H](C)C[N+](C)(C)C)ccc1OC(F)(F)F ZINC001234936960 1098718638 /nfs/dbraw/zinc/71/86/38/1098718638.db2.gz OOTXIGDAFAWBEZ-SNVBAGLBSA-N 1 0 308.320 3.067 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cnc(N(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC001178204653 1098746294 /nfs/dbraw/zinc/74/62/94/1098746294.db2.gz MEJHOWXDPBVEMZ-CQSZACIVSA-N 1 0 320.418 3.358 20 5 DGBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc2ccc3cccnc3c2n1 ZINC001235457928 1099046350 /nfs/dbraw/zinc/04/63/50/1099046350.db2.gz IWVPBYDQJYLURB-SFHVURJKSA-N 1 0 320.440 3.213 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001179266643 1099052495 /nfs/dbraw/zinc/05/24/95/1099052495.db2.gz SWXLGHQVTITEGY-SJORKVTESA-N 1 0 304.390 3.341 20 5 DGBDRO CC1(C)CC[N@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001187862854 1099620033 /nfs/dbraw/zinc/62/00/33/1099620033.db2.gz UORRHCTYNJUOMB-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1C ZINC001193607023 1100782926 /nfs/dbraw/zinc/78/29/26/1100782926.db2.gz RWUGGEZWVYBNHT-ZIAGYGMSSA-N 1 0 319.405 3.352 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001197506142 1101586446 /nfs/dbraw/zinc/58/64/46/1101586446.db2.gz DPXAXHZPVHTRCR-KCQAQPDRSA-N 1 0 320.389 3.225 20 5 DGBDRO C[C@H]([NH2+]C[Si](C)(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001197659656 1101625133 /nfs/dbraw/zinc/62/51/33/1101625133.db2.gz JAKXIOWTBNUVIU-AWEZNQCLSA-N 1 0 314.461 3.400 20 5 DGBDRO Cc1ccc(CN2CC[N@H+](C3CCCC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001197808687 1101671622 /nfs/dbraw/zinc/67/16/22/1101671622.db2.gz JHCTXMUYOHROHD-OAHLLOKOSA-N 1 0 317.433 3.352 20 5 DGBDRO O=[N+]([O-])c1cc(O)cc(Nc2c[nH+]ccc2N2CCCCC2)c1 ZINC001199828456 1102227771 /nfs/dbraw/zinc/22/77/71/1102227771.db2.gz IRYQFHUNGBJTJV-UHFFFAOYSA-N 1 0 314.345 3.429 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C(C)(C)C)CC1 ZINC001326160391 1103218535 /nfs/dbraw/zinc/21/85/35/1103218535.db2.gz BIJHKRLLLSRMOI-NTCAYCPXSA-N 1 0 317.433 3.414 20 5 DGBDRO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC001326515936 1103350056 /nfs/dbraw/zinc/35/00/56/1103350056.db2.gz DYGWLMDRIKCCLK-UHFFFAOYSA-N 1 0 304.350 3.265 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCCC1(C)C ZINC001202789683 1103680879 /nfs/dbraw/zinc/68/08/79/1103680879.db2.gz STYBMFNZBUVQFZ-NTCAYCPXSA-N 1 0 317.433 3.462 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CC3CCC(O)CC3)C2)cc1 ZINC001327561366 1103681855 /nfs/dbraw/zinc/68/18/55/1103681855.db2.gz DELNJIHEAUSOBL-BFHRDPOASA-N 1 0 318.417 3.325 20 5 DGBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001327572109 1103684706 /nfs/dbraw/zinc/68/47/06/1103684706.db2.gz GVWHAOQOTNVGDZ-HNNXBMFYSA-N 1 0 312.797 3.089 20 5 DGBDRO C[N@H+](Cc1c2ccccc2cc2ccccc21)[C@H]1CNC(=O)C1 ZINC001246856662 1104711637 /nfs/dbraw/zinc/71/16/37/1104711637.db2.gz CSARTZBRKREQHZ-MRXNPFEDSA-N 1 0 304.393 3.313 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(-c2nc3ccccc3n2[C@H]2CC[NH2+]C2)c1 ZINC001247052733 1104787286 /nfs/dbraw/zinc/78/72/86/1104787286.db2.gz PPLHJHHTQHLPSS-ZDUSSCGKSA-N 1 0 322.368 3.454 20 5 DGBDRO Cc1cccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)c1 ZINC001249277657 1105261548 /nfs/dbraw/zinc/26/15/48/1105261548.db2.gz QVDNYDQRZZBKED-OAHLLOKOSA-N 1 0 324.340 3.196 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCC34CC4)CC2)cc1 ZINC001254476057 1106077760 /nfs/dbraw/zinc/07/77/60/1106077760.db2.gz KJUNZJSCIZSWFN-UHFFFAOYSA-N 1 0 301.390 3.192 20 5 DGBDRO C[C@@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254476894 1106077941 /nfs/dbraw/zinc/07/79/41/1106077941.db2.gz WQECLZHWUUGMAP-CQSZACIVSA-N 1 0 303.406 3.296 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC001254473373 1106078168 /nfs/dbraw/zinc/07/81/68/1106078168.db2.gz BUASSJCZPUWVRM-GASCZTMLSA-N 1 0 315.417 3.296 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc2ccccc2o1 ZINC001254534275 1106095895 /nfs/dbraw/zinc/09/58/95/1106095895.db2.gz VGZLZPPDMXTVPE-GFCCVEGCSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1ccccc1 ZINC001254533348 1106095920 /nfs/dbraw/zinc/09/59/20/1106095920.db2.gz KCJSGCNGRJNMBE-KSSFIOAISA-N 1 0 314.385 3.023 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccc1Cl ZINC001254538380 1106097607 /nfs/dbraw/zinc/09/76/07/1106097607.db2.gz UCKMIYGDUQKPJW-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1(O)CCCCC1 ZINC001254536202 1106097817 /nfs/dbraw/zinc/09/78/17/1106097817.db2.gz OPVCNVDGTKZWTA-AWEZNQCLSA-N 1 0 306.406 3.201 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1nc(C[NH3+])c2ccccc21 ZINC001254538430 1106098236 /nfs/dbraw/zinc/09/82/36/1106098236.db2.gz UYOVLEIRBJGVNN-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1ccc2cc(C[NH3+])cnc21 ZINC001254535396 1106098394 /nfs/dbraw/zinc/09/83/94/1106098394.db2.gz IZNYWBWKHVSFEF-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CN1CCC(C)CC1 ZINC001254539705 1106098856 /nfs/dbraw/zinc/09/88/56/1106098856.db2.gz JYPVKKMODIBAAP-HZPDHXFCSA-N 1 0 319.449 3.236 20 5 DGBDRO CCOC1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254543247 1106099590 /nfs/dbraw/zinc/09/95/90/1106099590.db2.gz CYXXINGMANLOBU-JEYLPNPQSA-N 1 0 306.406 3.463 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(C[C@H]2CCO)CC1 ZINC001254551797 1106101186 /nfs/dbraw/zinc/10/11/86/1106101186.db2.gz FVDOOMXMZROPKT-GDBMZVCRSA-N 1 0 318.417 3.010 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001254552262 1106101355 /nfs/dbraw/zinc/10/13/55/1106101355.db2.gz JRGAMSSDCBZPPK-WMLDXEAASA-N 1 0 304.390 3.171 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2cnn(C)c2c1 ZINC001254550868 1106101829 /nfs/dbraw/zinc/10/18/29/1106101829.db2.gz SRJFUKSYYXICFG-CYBMUJFWSA-N 1 0 324.384 3.202 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](CCO)Cc1cccs1 ZINC001254562348 1106104274 /nfs/dbraw/zinc/10/42/74/1106104274.db2.gz KTPMVASSIUXKRK-CYBMUJFWSA-N 1 0 320.414 3.082 20 5 DGBDRO COCC[C@H]1CCCC[N@@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254561679 1106104454 /nfs/dbraw/zinc/10/44/54/1106104454.db2.gz IERXFWJSDHGIPK-GDBMZVCRSA-N 1 0 306.406 3.417 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1cccc(F)c1)C2 ZINC001254567836 1106105051 /nfs/dbraw/zinc/10/50/51/1106105051.db2.gz PHSRGHAWWHUGTL-INIZCTEOSA-N 1 0 300.333 3.033 20 5 DGBDRO CCOc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254571674 1106106305 /nfs/dbraw/zinc/10/63/05/1106106305.db2.gz AEQXCMKNZOYGPK-MRXNPFEDSA-N 1 0 312.369 3.251 20 5 DGBDRO Cc1csc([C@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254585325 1106109026 /nfs/dbraw/zinc/10/90/26/1106109026.db2.gz VKFSVVLLMAWHEK-GWCFXTLKSA-N 1 0 303.387 3.178 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCc3sccc3C1)C2 ZINC001254593258 1106110040 /nfs/dbraw/zinc/11/00/40/1106110040.db2.gz KPYFVAQRYQWQQP-HNNXBMFYSA-N 1 0 300.383 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H](c3ccccn3)C1)C2 ZINC001254599463 1106110713 /nfs/dbraw/zinc/11/07/13/1106110713.db2.gz LTQRHEKHNTYCSC-QAPCUYQASA-N 1 0 323.396 3.337 20 5 DGBDRO CC[N@H+](C(C)C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256094578 1106368295 /nfs/dbraw/zinc/36/82/95/1106368295.db2.gz LWBHKNSYGJSUGL-UHFFFAOYSA-N 1 0 321.421 3.303 20 5 DGBDRO CCCC[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256094997 1106368620 /nfs/dbraw/zinc/36/86/20/1106368620.db2.gz UJNUPWJXSLUZSM-UHFFFAOYSA-N 1 0 321.421 3.304 20 5 DGBDRO Cc1cccnc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001320102745 1106872933 /nfs/dbraw/zinc/87/29/33/1106872933.db2.gz AWISQJVNAJCQKD-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC001320896539 1107180684 /nfs/dbraw/zinc/18/06/84/1107180684.db2.gz RSYQRTRPAPANER-UHFFFAOYSA-N 1 0 319.405 3.142 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001320951094 1107200452 /nfs/dbraw/zinc/20/04/52/1107200452.db2.gz JICMHJXCRHSUIF-HAZIXKIPSA-N 1 0 315.417 3.168 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001320951103 1107200699 /nfs/dbraw/zinc/20/06/99/1107200699.db2.gz JICMHJXCRHSUIF-VHUCWBOISA-N 1 0 315.417 3.168 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001321751961 1107425504 /nfs/dbraw/zinc/42/55/04/1107425504.db2.gz MWMYPYYJPREAGH-CABCVRRESA-N 1 0 304.390 3.486 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C2CC3(CC3(F)F)C2)cc([N+](=O)[O-])c1 ZINC001262484884 1107716695 /nfs/dbraw/zinc/71/66/95/1107716695.db2.gz NRBIBZDRRJVKFS-FDMSEYEVSA-N 1 0 312.316 3.442 20 5 DGBDRO [NH3+]CCN(Cc1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC001324019114 1108150064 /nfs/dbraw/zinc/15/00/64/1108150064.db2.gz MGQLKFKARQNILC-UHFFFAOYSA-N 1 0 311.385 3.049 20 5 DGBDRO Cc1nc(NCCCCCCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001324417746 1108280929 /nfs/dbraw/zinc/28/09/29/1108280929.db2.gz PVZVXNJQLXPNAH-UHFFFAOYSA-N 1 0 321.425 3.151 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1nc(C(C)C)no1 ZINC001319784188 1108634095 /nfs/dbraw/zinc/63/40/95/1108634095.db2.gz MLMISFPBDQCGTC-LBPRGKRZSA-N 1 0 318.377 3.303 20 5 DGBDRO CCCCCC[N@H+](C)CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001303497893 1111145228 /nfs/dbraw/zinc/14/52/28/1111145228.db2.gz FDASOPHFGAVJAU-CQSZACIVSA-N 1 0 321.421 3.284 20 5 DGBDRO CCC[N@H+](CC)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001306985962 1111257926 /nfs/dbraw/zinc/25/79/26/1111257926.db2.gz CAFKDCXYFRYBMB-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO CC(C)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001307449488 1111300977 /nfs/dbraw/zinc/30/09/77/1111300977.db2.gz DLHHABVJTAYLQM-MRXNPFEDSA-N 1 0 319.405 3.434 20 5 DGBDRO CC(C)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001307449487 1111301265 /nfs/dbraw/zinc/30/12/65/1111301265.db2.gz DLHHABVJTAYLQM-INIZCTEOSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@H](C(=O)OC(C)(C)C)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC001307893692 1111351904 /nfs/dbraw/zinc/35/19/04/1111351904.db2.gz VCCYTBDSWQXLTK-OAHLLOKOSA-N 1 0 322.405 3.189 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC001308049798 1111370904 /nfs/dbraw/zinc/37/09/04/1111370904.db2.gz MIOLVNHXYYYAKS-KGLIPLIRSA-N 1 0 320.389 3.321 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC001308049799 1111371099 /nfs/dbraw/zinc/37/10/99/1111371099.db2.gz MIOLVNHXYYYAKS-UONOGXRCSA-N 1 0 320.389 3.321 20 5 DGBDRO Cc1ccccc1[C@@H](CO)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC001308078098 1111374165 /nfs/dbraw/zinc/37/41/65/1111374165.db2.gz JKZYBNZXTARZGM-GOSISDBHSA-N 1 0 314.385 3.111 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001308132833 1111382026 /nfs/dbraw/zinc/38/20/26/1111382026.db2.gz BNDKLXCKAKXCTJ-ZDUSSCGKSA-N 1 0 305.378 3.188 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCOCC23CCCC3)cc1[N+](=O)[O-] ZINC001308166431 1111389198 /nfs/dbraw/zinc/38/91/98/1111389198.db2.gz LCZBFOHQWJESRU-MRXNPFEDSA-N 1 0 304.390 3.342 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@@]23CCCOC3)cc1 ZINC001308170813 1111390140 /nfs/dbraw/zinc/39/01/40/1111390140.db2.gz NNPLOVRTNYWNJU-KRWDZBQOSA-N 1 0 320.389 3.009 20 5 DGBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001308299135 1111412900 /nfs/dbraw/zinc/41/29/00/1111412900.db2.gz YEXYWMHEKHKVGB-KIMHZCHSSA-N 1 0 324.446 3.073 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC001308462548 1111431192 /nfs/dbraw/zinc/43/11/92/1111431192.db2.gz QQWIUDPOXLIMMP-CQSZACIVSA-N 1 0 305.422 3.174 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2cnc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001308495004 1111435009 /nfs/dbraw/zinc/43/50/09/1111435009.db2.gz NMUARIFXJYJKFI-UHFFFAOYSA-N 1 0 309.728 3.381 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc(F)c(F)c2F)cc1 ZINC001308636451 1111454095 /nfs/dbraw/zinc/45/40/95/1111454095.db2.gz CXWWDKTVZXRUQN-UHFFFAOYSA-N 1 0 324.302 3.387 20 5 DGBDRO CC[N@H+](C)[C@@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001308986799 1111506302 /nfs/dbraw/zinc/50/63/02/1111506302.db2.gz IHHPXRUBUYHZBB-IDKBZEPQSA-N 1 0 303.406 3.024 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000278530500 214215392 /nfs/dbraw/zinc/21/53/92/214215392.db2.gz UZZZTZYBVWQBCL-MRXNPFEDSA-N 1 0 320.776 3.380 20 5 DGBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCC2)c2ccncc21 ZINC000315355848 231140611 /nfs/dbraw/zinc/14/06/11/231140611.db2.gz MNFURHQAVYQCTK-UHFFFAOYSA-N 1 0 300.362 3.041 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000315597198 231142693 /nfs/dbraw/zinc/14/26/93/231142693.db2.gz HEZPXYUEOZGHTJ-AEAUEXCSSA-N 1 0 304.390 3.449 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@H](CO)C2)c(Cl)c1 ZINC000314890234 231134694 /nfs/dbraw/zinc/13/46/94/231134694.db2.gz GRYUUNWSRFFZDB-RYUDHWBXSA-N 1 0 312.797 3.137 20 5 DGBDRO Cc1c(C[NH2+]Cc2cnn(C(C)(C)C)c2)cccc1[N+](=O)[O-] ZINC000318215528 231167951 /nfs/dbraw/zinc/16/79/51/231167951.db2.gz APKRXNVJVZXUGI-UHFFFAOYSA-N 1 0 302.378 3.145 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000427845815 529418156 /nfs/dbraw/zinc/41/81/56/529418156.db2.gz FYQIXWXUDCXQAK-KCPJHIHWSA-N 1 0 324.446 3.215 20 5 DGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3ncccc23)CCCC1 ZINC000321891800 231206368 /nfs/dbraw/zinc/20/63/68/231206368.db2.gz OQMTWPNZZIAUMI-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO CC[C@@H](CCO)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302075715 529467556 /nfs/dbraw/zinc/46/75/56/529467556.db2.gz IYNAVPHEROMLGR-LBPRGKRZSA-N 1 0 303.362 3.272 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000063309191 432004815 /nfs/dbraw/zinc/00/48/15/432004815.db2.gz OISBOVOVTCCQMX-LBPRGKRZSA-N 1 0 316.361 3.267 20 5 DGBDRO CSC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000090112497 185282744 /nfs/dbraw/zinc/28/27/44/185282744.db2.gz SKQMEEUNOJPGEK-ZDUSSCGKSA-N 1 0 324.446 3.466 20 5 DGBDRO COc1cc(C[N@H+](C)C(C2CC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000092704040 185334278 /nfs/dbraw/zinc/33/42/78/185334278.db2.gz VOCMNTSXGVTDFH-UHFFFAOYSA-N 1 0 320.389 3.232 20 5 DGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cc(F)cc(F)c1 ZINC000444717394 529926319 /nfs/dbraw/zinc/92/63/19/529926319.db2.gz RYNIWWMDWRBSLH-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO C[NH2+]CCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000415140924 529964558 /nfs/dbraw/zinc/96/45/58/529964558.db2.gz ZVUOJVKQKOILNV-UHFFFAOYSA-N 1 0 319.430 3.365 20 5 DGBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279472070 214908009 /nfs/dbraw/zinc/90/80/09/214908009.db2.gz KALUEKUDGTXXHV-DTWKUNHWSA-N 1 0 306.284 3.127 20 5 DGBDRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330817098 232089264 /nfs/dbraw/zinc/08/92/64/232089264.db2.gz GIYGQXQOIQGYLR-RSUWNVLCSA-N 1 0 319.405 3.336 20 5 DGBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000104078615 432013644 /nfs/dbraw/zinc/01/36/44/432013644.db2.gz DWUCSOCKMDBAMK-RYUDHWBXSA-N 1 0 316.361 3.408 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000104078526 432014139 /nfs/dbraw/zinc/01/41/39/432014139.db2.gz RDBMQGDDNVPSHI-BETUJISGSA-N 1 0 319.405 3.495 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000066532545 432017020 /nfs/dbraw/zinc/01/70/20/432017020.db2.gz PKJGFOKXVZOOFX-TXEJJXNPSA-N 1 0 306.362 3.224 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCSC1)C1CC1 ZINC000279681835 215057623 /nfs/dbraw/zinc/05/76/23/215057623.db2.gz ADIIVIUPIYLNHK-DOMZBBRYSA-N 1 0 306.431 3.259 20 5 DGBDRO CO[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000130261735 432019527 /nfs/dbraw/zinc/01/95/27/432019527.db2.gz CVWCOMFBZONSCL-OAHLLOKOSA-N 1 0 316.357 3.466 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000279959753 215272392 /nfs/dbraw/zinc/27/23/92/215272392.db2.gz YHRYVGDFHCBNJF-HIFRSBDPSA-N 1 0 322.405 3.119 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccccn2)cc1[N+](=O)[O-] ZINC000152532235 186082919 /nfs/dbraw/zinc/08/29/19/186082919.db2.gz OTUIOKSZNXULHS-CYBMUJFWSA-N 1 0 315.373 3.282 20 5 DGBDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000155793883 186113061 /nfs/dbraw/zinc/11/30/61/186113061.db2.gz DAIMAVQFVPWDST-QWRGUYRKSA-N 1 0 300.362 3.413 20 5 DGBDRO Cc1ncc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000155794119 186113361 /nfs/dbraw/zinc/11/33/61/186113361.db2.gz DAIMAVQFVPWDST-MNOVXSKESA-N 1 0 300.362 3.413 20 5 DGBDRO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173346848 186178949 /nfs/dbraw/zinc/17/89/49/186178949.db2.gz KQYVYDNVWUSMQX-CHWSQXEVSA-N 1 0 300.358 3.499 20 5 DGBDRO C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173374554 186180849 /nfs/dbraw/zinc/18/08/49/186180849.db2.gz KBBHZUBJPPGHPV-GFCCVEGCSA-N 1 0 323.393 3.112 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000172175679 198052736 /nfs/dbraw/zinc/05/27/36/198052736.db2.gz BKSPPIDISMSVKV-LLVKDONJSA-N 1 0 310.781 3.249 20 5 DGBDRO CCOC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172180694 198054041 /nfs/dbraw/zinc/05/40/41/198054041.db2.gz SWLPXZVMTITTQI-LBPRGKRZSA-N 1 0 312.797 3.497 20 5 DGBDRO C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCS1 ZINC000331683652 233991666 /nfs/dbraw/zinc/99/16/66/233991666.db2.gz WUJXNULUHPDLHI-KCQAQPDRSA-N 1 0 324.450 3.150 20 5 DGBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072775177 191227630 /nfs/dbraw/zinc/22/76/30/191227630.db2.gz AFPAXHRSSCEARP-IUODEOHRSA-N 1 0 319.405 3.094 20 5 DGBDRO CCC(CC)(CC)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000174800781 198386580 /nfs/dbraw/zinc/38/65/80/198386580.db2.gz QLBSOHZAHNFTJR-UHFFFAOYSA-N 1 0 307.394 3.116 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCOC1 ZINC000107695602 432036364 /nfs/dbraw/zinc/03/63/64/432036364.db2.gz QKRABXCEZYDUIF-CQSZACIVSA-N 1 0 322.405 3.240 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078270572 191840955 /nfs/dbraw/zinc/84/09/55/191840955.db2.gz DMSJZMRNUQORFI-XUJVJEKNSA-N 1 0 305.378 3.090 20 5 DGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cc2ccccc2s1 ZINC000184360035 199706714 /nfs/dbraw/zinc/70/67/14/199706714.db2.gz KFKWQFIGOWJRHU-NSHDSACASA-N 1 0 316.386 3.357 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281386 432059309 /nfs/dbraw/zinc/05/93/09/432059309.db2.gz ZHINZWBZWUOYPJ-FPMFFAJLSA-N 1 0 303.406 3.179 20 5 DGBDRO CCC[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000166271038 432059963 /nfs/dbraw/zinc/05/99/63/432059963.db2.gz LGDHWFDOKRFMSL-SJORKVTESA-N 1 0 305.422 3.366 20 5 DGBDRO COc1ccc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1OC ZINC000237242772 202200930 /nfs/dbraw/zinc/20/09/30/202200930.db2.gz NJTJBURVGVRHFU-UHFFFAOYSA-N 1 0 322.386 3.006 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCC[C@@]2(C)CCCO)ccc1[N+](=O)[O-] ZINC000276870633 213146108 /nfs/dbraw/zinc/14/61/08/213146108.db2.gz HOYMNOKELFWYHV-KRWDZBQOSA-N 1 0 322.405 3.121 20 5 DGBDRO Cc1cccc(C(C)(C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000179590434 199060146 /nfs/dbraw/zinc/06/01/46/199060146.db2.gz FPBQQDWFXCMSPL-QGZVFWFLSA-N 1 0 314.385 3.462 20 5 DGBDRO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180422742 199157458 /nfs/dbraw/zinc/15/74/58/199157458.db2.gz KPDVQJVDXZTTNL-UONOGXRCSA-N 1 0 321.421 3.138 20 5 DGBDRO C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000276648777 213022212 /nfs/dbraw/zinc/02/22/12/213022212.db2.gz QLDDQMSXEKECMF-GFCCVEGCSA-N 1 0 312.373 3.205 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000180699277 199199233 /nfs/dbraw/zinc/19/92/33/199199233.db2.gz KEIRXKYOMHLEDY-UHFFFAOYSA-N 1 0 322.409 3.016 20 5 DGBDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000180890550 199224412 /nfs/dbraw/zinc/22/44/12/199224412.db2.gz ILKNBBCWKAOGGN-UHFFFAOYSA-N 1 0 315.373 3.457 20 5 DGBDRO CCOCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180149771 432079185 /nfs/dbraw/zinc/07/91/85/432079185.db2.gz BKTXAHCZTYCHAU-KRWDZBQOSA-N 1 0 300.358 3.310 20 5 DGBDRO CC(C)(O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000187501931 200120550 /nfs/dbraw/zinc/12/05/50/200120550.db2.gz YIGGMDFLBKZYNQ-UHFFFAOYSA-N 1 0 300.358 3.112 20 5 DGBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189121596 200352282 /nfs/dbraw/zinc/35/22/82/200352282.db2.gz RVLVNNBCZAATJT-NWDGAFQWSA-N 1 0 304.346 3.368 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000278449733 299306543 /nfs/dbraw/zinc/30/65/43/299306543.db2.gz LJRPBDPPDHAOOV-GUYCJALGSA-N 1 0 303.406 3.262 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000134885412 432088683 /nfs/dbraw/zinc/08/86/83/432088683.db2.gz CVSMIOCHDQSWFM-NSHDSACASA-N 1 0 317.414 3.433 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000428556386 238025422 /nfs/dbraw/zinc/02/54/22/238025422.db2.gz FOWCNTWPYNSDKE-SZTZYQKNSA-N 1 0 310.353 3.071 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c(Cl)c1 ZINC000428561405 238025564 /nfs/dbraw/zinc/02/55/64/238025564.db2.gz DSAYPIZMAGWUFT-GFCCVEGCSA-N 1 0 318.760 3.211 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429014867 238038471 /nfs/dbraw/zinc/03/84/71/238038471.db2.gz ZNLCVQBYHIQKOP-ADAWSYLGSA-N 1 0 317.433 3.318 20 5 DGBDRO COc1ccc(OCC[NH+](C2CCC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000429118851 238040894 /nfs/dbraw/zinc/04/08/94/238040894.db2.gz YPRVREATDLUVFZ-UHFFFAOYSA-N 1 0 320.389 3.389 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH+](C3CCC3)C3CCC3)nc2c1 ZINC000429115936 238040972 /nfs/dbraw/zinc/04/09/72/238040972.db2.gz PNEBJIYDSLECJY-UHFFFAOYSA-N 1 0 300.362 3.378 20 5 DGBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000272027886 209397658 /nfs/dbraw/zinc/39/76/58/209397658.db2.gz OEMHAGCJZVJXBD-HNNXBMFYSA-N 1 0 312.797 3.375 20 5 DGBDRO C[C@H](C[NH3+])N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435384556 238298447 /nfs/dbraw/zinc/29/84/47/238298447.db2.gz NBVSPXKUCUCUIT-LLVKDONJSA-N 1 0 305.403 3.102 20 5 DGBDRO Cc1nn(C(C)C)cc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000281409934 216280256 /nfs/dbraw/zinc/28/02/56/216280256.db2.gz QDVJKQPFMRAUEF-UHFFFAOYSA-N 1 0 302.378 3.013 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](C)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000193920554 201144737 /nfs/dbraw/zinc/14/47/37/201144737.db2.gz LSVOQZOZIPSVBN-CZUORRHYSA-N 1 0 319.405 3.037 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194089491 201175426 /nfs/dbraw/zinc/17/54/26/201175426.db2.gz GILXJIIXGUUMDB-FVQBIDKESA-N 1 0 302.374 3.032 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000194415560 201222969 /nfs/dbraw/zinc/22/29/69/201222969.db2.gz VOCUMYPQGBKCLR-AWEZNQCLSA-N 1 0 314.385 3.367 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000441226857 239022225 /nfs/dbraw/zinc/02/22/25/239022225.db2.gz GQYDLSCWRIWLFC-AWEZNQCLSA-N 1 0 308.378 3.103 20 5 DGBDRO COc1ccc(OCC[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000441312468 239033047 /nfs/dbraw/zinc/03/30/47/239033047.db2.gz ZXUULAURWFDPDF-CHWSQXEVSA-N 1 0 308.378 3.245 20 5 DGBDRO COc1ccc(OCC[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441312469 239033697 /nfs/dbraw/zinc/03/36/97/239033697.db2.gz ZXUULAURWFDPDF-STQMWFEESA-N 1 0 308.378 3.245 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)nc2c1 ZINC000444649442 239314025 /nfs/dbraw/zinc/31/40/25/239314025.db2.gz JLUOHZCYJPNHPK-TXEJJXNPSA-N 1 0 300.362 3.093 20 5 DGBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444590688 239302232 /nfs/dbraw/zinc/30/22/32/239302232.db2.gz MFYDDNITOHUQEU-NWDGAFQWSA-N 1 0 302.378 3.482 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000292910650 223304627 /nfs/dbraw/zinc/30/46/27/223304627.db2.gz FKHDWGPWJZLPGE-KRWDZBQOSA-N 1 0 316.357 3.369 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(C3CC3)CC2)n1 ZINC000447575684 239663208 /nfs/dbraw/zinc/66/32/08/239663208.db2.gz URNTZMGJDKQXMS-KBPBESRZSA-N 1 0 304.394 3.055 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000248543131 202743154 /nfs/dbraw/zinc/74/31/54/202743154.db2.gz CUVIRFNGNCBVEG-RFGFWPKPSA-N 1 0 319.405 3.336 20 5 DGBDRO COCC1(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000292954271 223325303 /nfs/dbraw/zinc/32/53/03/223325303.db2.gz KVOADTASSPPYFP-QPJJXVBHSA-N 1 0 304.390 3.404 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(O)cc1 ZINC000449100867 240018456 /nfs/dbraw/zinc/01/84/56/240018456.db2.gz CSYHABGWXYGVDE-ZDUSSCGKSA-N 1 0 300.358 3.064 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000449120830 240027425 /nfs/dbraw/zinc/02/74/25/240027425.db2.gz FOXWVPZUAZSANL-OLZOCXBDSA-N 1 0 322.405 3.236 20 5 DGBDRO CC(C)C[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000449078233 240007118 /nfs/dbraw/zinc/00/71/18/240007118.db2.gz XMCVFCRDRIZLTL-GDBMZVCRSA-N 1 0 307.438 3.092 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N1CCC[C@@H](C)C1 ZINC000449081462 240007358 /nfs/dbraw/zinc/00/73/58/240007358.db2.gz FMCNIHAOWQBLSI-OAGGEKHMSA-N 1 0 319.449 3.236 20 5 DGBDRO CCc1cnc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449170357 240051162 /nfs/dbraw/zinc/05/11/62/240051162.db2.gz IIQGSBBPQCOBQA-GFCCVEGCSA-N 1 0 319.430 3.377 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CCCCC1 ZINC000449173173 240051274 /nfs/dbraw/zinc/05/12/74/240051274.db2.gz NJFSARFPKWUFCD-OAHLLOKOSA-N 1 0 320.433 3.448 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000449174325 240053179 /nfs/dbraw/zinc/05/31/79/240053179.db2.gz PBYZSGMVZIOUCI-ODVANORSSA-N 1 0 318.417 3.319 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000449246507 240089731 /nfs/dbraw/zinc/08/97/31/240089731.db2.gz DPIHFNGKAGBNDH-SRCQZFHVSA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)cn1 ZINC000449248895 240090419 /nfs/dbraw/zinc/09/04/19/240090419.db2.gz IISZLKDJPGGWPW-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449246596 240090468 /nfs/dbraw/zinc/09/04/68/240090468.db2.gz DLOJTBJXJYKPGM-UKPHBRMFSA-N 1 0 306.406 3.319 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1(COC)CCC1 ZINC000293007657 223348371 /nfs/dbraw/zinc/34/83/71/223348371.db2.gz PLRNHSSUBDUIPC-UHFFFAOYSA-N 1 0 322.405 3.290 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC1CCOCC1 ZINC000449354746 240152553 /nfs/dbraw/zinc/15/25/53/240152553.db2.gz QYALJFSVXBHQTO-CQSZACIVSA-N 1 0 306.406 3.322 20 5 DGBDRO CC1(F)CC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000449371227 240160752 /nfs/dbraw/zinc/16/07/52/240160752.db2.gz RRNZOUCLUNIDMQ-UHFFFAOYSA-N 1 0 304.268 3.176 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC3CCOCC3)C2)cc1 ZINC000449495411 240245545 /nfs/dbraw/zinc/24/55/45/240245545.db2.gz DBRILWLTKVCHHB-INIZCTEOSA-N 1 0 304.390 3.201 20 5 DGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000449581838 240303977 /nfs/dbraw/zinc/30/39/77/240303977.db2.gz CETNNYDBRFCAAS-SOIVGHGOSA-N 1 0 306.406 3.337 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000171140632 432105211 /nfs/dbraw/zinc/10/52/11/432105211.db2.gz OHGJOXGINCUVFE-OAHLLOKOSA-N 1 0 301.346 3.239 20 5 DGBDRO CC(C)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000449514240 240260197 /nfs/dbraw/zinc/26/01/97/240260197.db2.gz VNOJNVHKWFFCBS-NKAACUPNSA-N 1 0 320.433 3.487 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000449623543 240326147 /nfs/dbraw/zinc/32/61/47/240326147.db2.gz JPOLLNXEPUZPMZ-LYASGUKUSA-N 1 0 303.406 3.024 20 5 DGBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000449631315 240333207 /nfs/dbraw/zinc/33/32/07/240333207.db2.gz KHHGQSBKKVKSAN-HUUCEWRRSA-N 1 0 308.353 3.123 20 5 DGBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449634577 240334284 /nfs/dbraw/zinc/33/42/84/240334284.db2.gz WEWCACROWAHPTL-AHIWAGSCSA-N 1 0 306.406 3.319 20 5 DGBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449641202 240340149 /nfs/dbraw/zinc/34/01/49/240340149.db2.gz UPTGUHCGMFMQKS-HZPDHXFCSA-N 1 0 318.373 3.494 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)cc1 ZINC000451544411 241163601 /nfs/dbraw/zinc/16/36/01/241163601.db2.gz FFRUPPDNNBQICH-WBVHZDCISA-N 1 0 304.390 3.343 20 5 DGBDRO C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000451554145 241171724 /nfs/dbraw/zinc/17/17/24/241171724.db2.gz ZJMKPBKHCFCSHV-KMFMINBZSA-N 1 0 304.390 3.342 20 5 DGBDRO CCC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000451441570 241126635 /nfs/dbraw/zinc/12/66/35/241126635.db2.gz RZCONERTGDHTSB-OAHLLOKOSA-N 1 0 321.421 3.362 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451958945 241282270 /nfs/dbraw/zinc/28/22/70/241282270.db2.gz IAWHPCHJBORBPC-HNNXBMFYSA-N 1 0 310.394 3.453 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@@H](C)CCC1(C)C ZINC000452000435 241294239 /nfs/dbraw/zinc/29/42/39/241294239.db2.gz BRZBBIZJVGLJBC-ZDUSSCGKSA-N 1 0 319.405 3.495 20 5 DGBDRO Cc1ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000454144275 241868303 /nfs/dbraw/zinc/86/83/03/241868303.db2.gz JTTZONWXGWXTOM-UHFFFAOYSA-N 1 0 322.409 3.145 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000093443584 284012240 /nfs/dbraw/zinc/01/22/40/284012240.db2.gz QBLPOLDQOPYJBJ-GHMZBOCLSA-N 1 0 312.316 3.428 20 5 DGBDRO CCC[NH+]1CCC(N(C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092165397 193170161 /nfs/dbraw/zinc/17/01/61/193170161.db2.gz XRRNHAUOOHTUDY-SOFGYWHQSA-N 1 0 317.433 3.414 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[C@H]1C ZINC000467431757 243992694 /nfs/dbraw/zinc/99/26/94/243992694.db2.gz DKYNZYBDRBZELV-MCIONIFRSA-N 1 0 319.405 3.338 20 5 DGBDRO CC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000467558491 244001120 /nfs/dbraw/zinc/00/11/20/244001120.db2.gz BPDWZCWRZRFQPY-IDKBZEPQSA-N 1 0 304.390 3.499 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468628399 244057540 /nfs/dbraw/zinc/05/75/40/244057540.db2.gz DZSGLCYUVYSMDT-DGCDQZBQSA-N 1 0 306.406 3.385 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOC(F)(F)F)C1CC1 ZINC000474084983 244367524 /nfs/dbraw/zinc/36/75/24/244367524.db2.gz VPBWRNPAKAZQDM-LBPRGKRZSA-N 1 0 318.295 3.042 20 5 DGBDRO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000120266683 284164519 /nfs/dbraw/zinc/16/45/19/284164519.db2.gz NVPBVYLFMSJLFS-CYBMUJFWSA-N 1 0 307.394 3.208 20 5 DGBDRO Cc1ccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000093442474 193253424 /nfs/dbraw/zinc/25/34/24/193253424.db2.gz NZQHZFSMLZCITA-KRWDZBQOSA-N 1 0 314.385 3.459 20 5 DGBDRO C[C@H](O)CC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093481435 193258362 /nfs/dbraw/zinc/25/83/62/193258362.db2.gz CECOGTKCUSQFLZ-LBPRGKRZSA-N 1 0 304.346 3.058 20 5 DGBDRO CC[C@H]1COCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120420898 284169116 /nfs/dbraw/zinc/16/91/16/284169116.db2.gz PFHDNJIZRBGTCR-AWEZNQCLSA-N 1 0 316.357 3.466 20 5 DGBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093693110 193290638 /nfs/dbraw/zinc/29/06/38/193290638.db2.gz WZZXPJPCIIBSGX-INIZCTEOSA-N 1 0 305.422 3.067 20 5 DGBDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478484443 244616332 /nfs/dbraw/zinc/61/63/32/244616332.db2.gz VRBVHHVCJIVMPW-QGZVFWFLSA-N 1 0 314.385 3.251 20 5 DGBDRO Cc1cc(N[C@@H]2CCC[C@H]2CCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000274989989 212060408 /nfs/dbraw/zinc/06/04/08/212060408.db2.gz DKPUMUNEDPNPPI-SWLSCSKDSA-N 1 0 315.373 3.414 20 5 DGBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000488070308 245142515 /nfs/dbraw/zinc/14/25/15/245142515.db2.gz GCKPPHRFHKJFHW-CABCVRRESA-N 1 0 322.405 3.111 20 5 DGBDRO C[C@H]1C[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264965485 204308929 /nfs/dbraw/zinc/30/89/29/204308929.db2.gz PGDVOZAGCPVGKH-JQWIXIFHSA-N 1 0 303.387 3.464 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000125398689 284275270 /nfs/dbraw/zinc/27/52/70/284275270.db2.gz KOBUKJONWPENAK-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000288225974 220029371 /nfs/dbraw/zinc/02/93/71/220029371.db2.gz NEAFHKUQKXKFAX-WCQYABFASA-N 1 0 318.402 3.126 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000126414633 284304470 /nfs/dbraw/zinc/30/44/70/284304470.db2.gz XKBXKXYRVXFBFM-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000282560627 217090168 /nfs/dbraw/zinc/09/01/68/217090168.db2.gz DRSNATIBXPAOJF-INIZCTEOSA-N 1 0 320.389 3.042 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)c(F)c1 ZINC000282664418 217162589 /nfs/dbraw/zinc/16/25/89/217162589.db2.gz MFQJEXRIKSEHKX-HNNXBMFYSA-N 1 0 308.353 3.173 20 5 DGBDRO Cc1cc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000271678527 209119151 /nfs/dbraw/zinc/11/91/51/209119151.db2.gz YOQRDGSWDMNOCT-UHFFFAOYSA-N 1 0 300.362 3.006 20 5 DGBDRO C[C@H](c1ccco1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282823371 217275191 /nfs/dbraw/zinc/27/51/91/217275191.db2.gz YSQZETIAHQBMKP-GFCCVEGCSA-N 1 0 317.345 3.209 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCSC2)c(Cl)c1 ZINC000288383673 220124033 /nfs/dbraw/zinc/12/40/33/220124033.db2.gz GHVGCLARFVNXIZ-JTQLQIEISA-N 1 0 300.811 3.481 20 5 DGBDRO CC[NH+](CC)CCSc1ncnc2sc([N+](=O)[O-])cc21 ZINC000288453544 220152801 /nfs/dbraw/zinc/15/28/01/220152801.db2.gz PPCQHJBHNXXOTO-UHFFFAOYSA-N 1 0 312.420 3.033 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000267255959 205929355 /nfs/dbraw/zinc/92/93/55/205929355.db2.gz JHJJCUZZUBOWBR-KGLIPLIRSA-N 1 0 307.394 3.026 20 5 DGBDRO CC[C@H](COC)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130259978 284437705 /nfs/dbraw/zinc/43/77/05/284437705.db2.gz LFLRRZFJOUJYFR-BMFZPTHFSA-N 1 0 306.406 3.321 20 5 DGBDRO CN(C)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000021034235 182262483 /nfs/dbraw/zinc/26/24/83/182262483.db2.gz XWZRXGSQMSRWGR-CQSZACIVSA-N 1 0 305.403 3.049 20 5 DGBDRO CC[C@]1(CO)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190216722 432134057 /nfs/dbraw/zinc/13/40/57/432134057.db2.gz WUNCEYOPVKRTQJ-JZLODUJNSA-N 1 0 304.390 3.093 20 5 DGBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411818541 229837603 /nfs/dbraw/zinc/83/76/03/229837603.db2.gz OWGUGNUTDAIVCZ-GUYCJALGSA-N 1 0 319.405 3.482 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCOCC2)cc(C(F)(F)F)c1 ZINC000494472306 246152661 /nfs/dbraw/zinc/15/26/61/246152661.db2.gz NXOAXISXMLQOJT-LBPRGKRZSA-N 1 0 318.295 3.272 20 5 DGBDRO C[C@]1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000494799351 246193800 /nfs/dbraw/zinc/19/38/00/246193800.db2.gz JAAUDCUSEAMOPK-CABCVRRESA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000181577829 432137813 /nfs/dbraw/zinc/13/78/13/432137813.db2.gz ZQJWOOWATBYRDF-CYBMUJFWSA-N 1 0 316.357 3.420 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@H](C[NH+]2CCCC2)c2ccccc2)s1 ZINC000190313999 432143715 /nfs/dbraw/zinc/14/37/15/432143715.db2.gz ZXJJJZZLHBKQES-CYBMUJFWSA-N 1 0 318.402 3.300 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCNc2ccccn2)cc1[N+](=O)[O-] ZINC000268978201 432149217 /nfs/dbraw/zinc/14/92/17/432149217.db2.gz JYMXRZULKVHQFP-ZDUSSCGKSA-N 1 0 300.362 3.061 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000153980376 284704602 /nfs/dbraw/zinc/70/46/02/284704602.db2.gz MDXKWFVYUCWEMY-SWLSCSKDSA-N 1 0 310.394 3.051 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000284857645 218210537 /nfs/dbraw/zinc/21/05/37/218210537.db2.gz RWYPHJWABSBZEC-GOEBONIOSA-N 1 0 320.389 3.137 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000106466845 194219500 /nfs/dbraw/zinc/21/95/00/194219500.db2.gz QHHRKOTWNWUXKV-ZDUSSCGKSA-N 1 0 302.330 3.364 20 5 DGBDRO Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000285316562 218379074 /nfs/dbraw/zinc/37/90/74/218379074.db2.gz SVBDOHOPKMNZHT-ONGXEEELSA-N 1 0 320.418 3.396 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285346612 218391020 /nfs/dbraw/zinc/39/10/20/218391020.db2.gz UZKZHYSYWSQVTO-OCCSQVGLSA-N 1 0 319.405 3.319 20 5 DGBDRO C[C@H](c1cccc(O)c1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000109782224 194286080 /nfs/dbraw/zinc/28/60/80/194286080.db2.gz KHOZKZQHKGVFST-CYBMUJFWSA-N 1 0 316.357 3.372 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1ccco1 ZINC000268869589 207039151 /nfs/dbraw/zinc/03/91/51/207039151.db2.gz HFUICPHBGVMEQB-GUYCJALGSA-N 1 0 318.373 3.006 20 5 DGBDRO Cc1c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1C ZINC000268904858 207074023 /nfs/dbraw/zinc/07/40/23/207074023.db2.gz MCAJXTGLUWOBPL-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000268922190 207088900 /nfs/dbraw/zinc/08/89/00/207088900.db2.gz JUYREBHJCCISEE-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO C[C@H]1CCC[C@](CNCc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000058066185 184072757 /nfs/dbraw/zinc/07/27/57/184072757.db2.gz LAMVMTIISNEPBM-YOEHRIQHSA-N 1 0 305.422 3.195 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000269007242 207160387 /nfs/dbraw/zinc/16/03/87/207160387.db2.gz LJMNUDUMIBCMRZ-XHDPSFHLSA-N 1 0 306.387 3.349 20 5 DGBDRO COc1ccc(OCC[N@H+](C)C2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000441180165 533013420 /nfs/dbraw/zinc/01/34/20/533013420.db2.gz MHDKRWOSZGFUPP-UHFFFAOYSA-N 1 0 322.405 3.493 20 5 DGBDRO Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000120053523 195088936 /nfs/dbraw/zinc/08/89/36/195088936.db2.gz YKBLAQJMKCNPBW-UHFFFAOYSA-N 1 0 314.341 3.264 20 5 DGBDRO CCOC(=O)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000120090324 195094641 /nfs/dbraw/zinc/09/46/41/195094641.db2.gz ZFMNXIURQLATJH-UHFFFAOYSA-N 1 0 320.389 3.068 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000336865966 253013513 /nfs/dbraw/zinc/01/35/13/253013513.db2.gz VMFYQSIEAGRYCB-HZPDHXFCSA-N 1 0 304.390 3.341 20 5 DGBDRO CCC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000336872219 253015487 /nfs/dbraw/zinc/01/54/87/253015487.db2.gz LPHDTCGJEIMMTA-OAHLLOKOSA-N 1 0 321.421 3.330 20 5 DGBDRO Cc1cc(NCC(C)(C)CCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336873973 253016950 /nfs/dbraw/zinc/01/69/50/253016950.db2.gz WJXBNIGVCVLOPB-UHFFFAOYSA-N 1 0 317.389 3.084 20 5 DGBDRO O=[N+]([O-])c1cnc(NCCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000338759752 253346823 /nfs/dbraw/zinc/34/68/23/253346823.db2.gz WTCRJAYFEVIXTL-UHFFFAOYSA-N 1 0 312.801 3.321 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2c[nH]nc21 ZINC000338956482 253378608 /nfs/dbraw/zinc/37/86/08/253378608.db2.gz UMFCROZTEBOWTQ-UHFFFAOYSA-N 1 0 310.357 3.146 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000288669255 220334811 /nfs/dbraw/zinc/33/48/11/220334811.db2.gz WHRVCSKIOTZYJU-DYVFJYSZSA-N 1 0 300.358 3.115 20 5 DGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](C)OC ZINC000339208533 253427908 /nfs/dbraw/zinc/42/79/08/253427908.db2.gz KFNXDIQNHJGPMU-SNVBAGLBSA-N 1 0 320.311 3.470 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1CCOC1 ZINC000271070127 208598381 /nfs/dbraw/zinc/59/83/81/208598381.db2.gz DZSHYFLBVGMRFF-HZSPNIEDSA-N 1 0 324.446 3.480 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1c3ccccc3C[C@@H]1O)CCC2 ZINC000192725136 285145631 /nfs/dbraw/zinc/14/56/31/285145631.db2.gz GJZVSACZJSCFBC-CEXWTWQISA-N 1 0 324.380 3.220 20 5 DGBDRO C[NH+](C)CCc1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000341488753 253818421 /nfs/dbraw/zinc/81/84/21/253818421.db2.gz ZYAYEVJBBYJEDC-UHFFFAOYSA-N 1 0 317.364 3.450 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000336860278 285153248 /nfs/dbraw/zinc/15/32/48/285153248.db2.gz PKHFOFZJNCERQB-PEYYIBSZSA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000271455266 285161977 /nfs/dbraw/zinc/16/19/77/285161977.db2.gz GPPWYCMCRUAYEZ-AEGPPILISA-N 1 0 306.431 3.401 20 5 DGBDRO CC(C)(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000157753482 197212976 /nfs/dbraw/zinc/21/29/76/197212976.db2.gz XMDDZNKBXPXZRE-OAHLLOKOSA-N 1 0 302.378 3.168 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000342825794 254059655 /nfs/dbraw/zinc/05/96/55/254059655.db2.gz LYQNJOGZUHPFNN-GFCCVEGCSA-N 1 0 310.357 3.364 20 5 DGBDRO CC(C)[C@H]1CC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000342862370 254067439 /nfs/dbraw/zinc/06/74/39/254067439.db2.gz SIRSUCABPOOONE-MRXNPFEDSA-N 1 0 314.389 3.226 20 5 DGBDRO CC[C@H](C)[NH2+][C@@H](CNc1nccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000343245233 254119587 /nfs/dbraw/zinc/11/95/87/254119587.db2.gz BVNHLYZDXIARAI-STQMWFEESA-N 1 0 318.377 3.433 20 5 DGBDRO Cn1cc(C[NH+]2CCCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157366648 197183008 /nfs/dbraw/zinc/18/30/08/197183008.db2.gz DXYKCJSAFQOTLR-UHFFFAOYSA-N 1 0 314.389 3.371 20 5 DGBDRO CCOc1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000343618293 254168889 /nfs/dbraw/zinc/16/88/89/254168889.db2.gz FDFAACOZBZXDQG-UKRRQHHQSA-N 1 0 319.405 3.057 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344054591 254218970 /nfs/dbraw/zinc/21/89/70/254218970.db2.gz JGQYTADDWSYSKP-ZIAGYGMSSA-N 1 0 317.389 3.210 20 5 DGBDRO CC[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000344230256 254242437 /nfs/dbraw/zinc/24/24/37/254242437.db2.gz JDEHVMSQEPIFQD-BLLLJJGKSA-N 1 0 305.378 3.044 20 5 DGBDRO Cn1cc(C[NH2+]C[C@H]2CC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344411066 254267377 /nfs/dbraw/zinc/26/73/77/254267377.db2.gz QAEUKJPCTAZKFS-CQSZACIVSA-N 1 0 314.389 3.131 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(F)cn1 ZINC000344746068 254301969 /nfs/dbraw/zinc/30/19/69/254301969.db2.gz XTTFJSGXUUFRRU-LBPRGKRZSA-N 1 0 303.337 3.240 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nccn1C(F)F ZINC000344795432 254306627 /nfs/dbraw/zinc/30/66/27/254306627.db2.gz SDHBNDRANZCTGT-XFFZJAGNSA-N 1 0 322.315 3.380 20 5 DGBDRO CCN(CCC[NH+](C)C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000344833844 254309159 /nfs/dbraw/zinc/30/91/59/254309159.db2.gz OUJZFOVMCNDGSC-UHFFFAOYSA-N 1 0 319.327 3.392 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000344858568 254311133 /nfs/dbraw/zinc/31/11/33/254311133.db2.gz OQXMVMBZOJKLAJ-XXYUJHKVSA-N 1 0 303.406 3.070 20 5 DGBDRO COCCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120452284 195170172 /nfs/dbraw/zinc/17/01/72/195170172.db2.gz YITHKOBSFQTTKB-UHFFFAOYSA-N 1 0 304.346 3.323 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000271583659 209033015 /nfs/dbraw/zinc/03/30/15/209033015.db2.gz XGAABCJEWPNHKM-CHWSQXEVSA-N 1 0 310.394 3.053 20 5 DGBDRO CC(C)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289561797 221070169 /nfs/dbraw/zinc/07/01/69/221070169.db2.gz POPTYJIVCQGXLY-LLVKDONJSA-N 1 0 307.177 3.008 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1O ZINC000289610589 221101822 /nfs/dbraw/zinc/10/18/22/221101822.db2.gz GINFJXCHIHVWAR-LBPRGKRZSA-N 1 0 316.357 3.202 20 5 DGBDRO CC[C@H]([NH2+]CCc1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000289857877 221273918 /nfs/dbraw/zinc/27/39/18/221273918.db2.gz QVOKDGQANKRBKD-ZDUSSCGKSA-N 1 0 306.391 3.038 20 5 DGBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000294987757 224361078 /nfs/dbraw/zinc/36/10/78/224361078.db2.gz HDSUTXNXXXTZPY-GFCCVEGCSA-N 1 0 318.373 3.494 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1CCOCC1 ZINC000470173071 533380372 /nfs/dbraw/zinc/38/03/72/533380372.db2.gz HPPHJNZHBNFBPZ-UVTDQMKNSA-N 1 0 304.390 3.357 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000470183036 533382127 /nfs/dbraw/zinc/38/21/27/533382127.db2.gz OXPAOKPWAPDTQT-HHFPWCGMSA-N 1 0 304.390 3.233 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cn2ccccc2n1 ZINC000468604179 533384458 /nfs/dbraw/zinc/38/44/58/533384458.db2.gz XDMSZXWUCUJLIP-ZROIWOOFSA-N 1 0 322.368 3.436 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000437043008 533445890 /nfs/dbraw/zinc/44/58/90/533445890.db2.gz IWEYIZPHKHMWSG-DYEKYZERSA-N 1 0 305.378 3.090 20 5 DGBDRO COC(=O)[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000429406185 533439327 /nfs/dbraw/zinc/43/93/27/533439327.db2.gz JRCBKGZOCNTCEK-RCBQFDQVSA-N 1 0 320.389 3.175 20 5 DGBDRO COc1cccc(NCC[N@@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000443970370 533619331 /nfs/dbraw/zinc/61/93/31/533619331.db2.gz IFBCMSMNKQSLHG-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000317097269 533661125 /nfs/dbraw/zinc/66/11/25/533661125.db2.gz BFCDDLVOWUJPTK-YPMHNXCESA-N 1 0 300.362 3.038 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000317733364 533663486 /nfs/dbraw/zinc/66/34/86/533663486.db2.gz ROOXVVUISKUKLG-NEPJUHHUSA-N 1 0 300.362 3.038 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000356830962 285511632 /nfs/dbraw/zinc/51/16/32/285511632.db2.gz AUQZJQOWJSLPEA-UHFFFAOYSA-N 1 0 318.352 3.027 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000287128173 296511598 /nfs/dbraw/zinc/51/15/98/296511598.db2.gz DBIWZDZMGYGPRA-CYBMUJFWSA-N 1 0 307.369 3.189 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]2C2CCC2)n1 ZINC000424315732 296518801 /nfs/dbraw/zinc/51/88/01/296518801.db2.gz AKKMHRHJMJTDQE-BYNSBNAKSA-N 1 0 304.394 3.053 20 5 DGBDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595043230 400086822 /nfs/dbraw/zinc/08/68/22/400086822.db2.gz VHYGAFPTALBUQV-MKBNYLNASA-N 1 0 310.394 3.315 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cc(C)nc(C)c1 ZINC000595044442 400086850 /nfs/dbraw/zinc/08/68/50/400086850.db2.gz MTNZBOWDDNZTNX-CYBMUJFWSA-N 1 0 315.373 3.466 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000595047319 400088091 /nfs/dbraw/zinc/08/80/91/400088091.db2.gz QZJBVYMTKSKJIQ-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000595050435 400089384 /nfs/dbraw/zinc/08/93/84/400089384.db2.gz IFYMSSDPMDDAIU-STQMWFEESA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000595052022 400090502 /nfs/dbraw/zinc/09/05/02/400090502.db2.gz PNEIYFXBEWHSGQ-SGMGOOAPSA-N 1 0 308.378 3.210 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000595056434 400092821 /nfs/dbraw/zinc/09/28/21/400092821.db2.gz HGIXEBUPYNVNNQ-ZBFHGGJFSA-N 1 0 319.449 3.378 20 5 DGBDRO Cc1c([C@@H](C)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595057534 400094312 /nfs/dbraw/zinc/09/43/12/400094312.db2.gz ZIVMICHOUHALGF-ZIAGYGMSSA-N 1 0 305.422 3.427 20 5 DGBDRO CC1(C)OCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595107683 400107493 /nfs/dbraw/zinc/10/74/93/400107493.db2.gz PUMPVSHJYAUGRK-BBRMVZONSA-N 1 0 304.390 3.377 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCOC1(C)C ZINC000595106071 400107724 /nfs/dbraw/zinc/10/77/24/400107724.db2.gz HQSULONEQGOGKD-NWDGAFQWSA-N 1 0 308.378 3.069 20 5 DGBDRO CC1(C)OCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595109108 400108812 /nfs/dbraw/zinc/10/88/12/400108812.db2.gz UDWRFFDXGFTSHL-JKSUJKDBSA-N 1 0 318.417 3.321 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nccn1C ZINC000595108519 400109188 /nfs/dbraw/zinc/10/91/88/400109188.db2.gz RJIOMNXCPZTETH-CHWSQXEVSA-N 1 0 302.378 3.000 20 5 DGBDRO CC1(C)OCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595109107 400109329 /nfs/dbraw/zinc/10/93/29/400109329.db2.gz UDWRFFDXGFTSHL-HZPDHXFCSA-N 1 0 318.417 3.321 20 5 DGBDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595024957 400079804 /nfs/dbraw/zinc/07/98/04/400079804.db2.gz IBDXVLXZWIBRDN-QWHCGFSZSA-N 1 0 310.394 3.053 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595024958 400079809 /nfs/dbraw/zinc/07/98/09/400079809.db2.gz IBDXVLXZWIBRDN-STQMWFEESA-N 1 0 310.394 3.053 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000595025713 400080734 /nfs/dbraw/zinc/08/07/34/400080734.db2.gz LPWDRNVOKQLIBK-YWSWHFDRSA-N 1 0 320.389 3.068 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000595025102 400080822 /nfs/dbraw/zinc/08/08/22/400080822.db2.gz GIZIYLCEWRNHSH-JSGCOSHPSA-N 1 0 300.362 3.285 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000595025101 400080838 /nfs/dbraw/zinc/08/08/38/400080838.db2.gz GIZIYLCEWRNHSH-GXTWGEPZSA-N 1 0 300.362 3.285 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000090910194 400082412 /nfs/dbraw/zinc/08/24/12/400082412.db2.gz RIOHPCZDYGGSJM-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOCC1CCC1 ZINC000595033739 400083558 /nfs/dbraw/zinc/08/35/58/400083558.db2.gz SWOHWKOBDPWVGM-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000595034877 400084196 /nfs/dbraw/zinc/08/41/96/400084196.db2.gz YXUYQEWNGCTZHB-NHYWBVRUSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000595037355 400084839 /nfs/dbraw/zinc/08/48/39/400084839.db2.gz FLUHFUMSXLHDQB-VIFPVBQESA-N 1 0 300.305 3.299 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000322197638 400173907 /nfs/dbraw/zinc/17/39/07/400173907.db2.gz KVTOGPUWNXGCKT-INIZCTEOSA-N 1 0 314.389 3.485 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000595328709 400128523 /nfs/dbraw/zinc/12/85/23/400128523.db2.gz YWKYDOTZCDTLIJ-CQSZACIVSA-N 1 0 321.396 3.042 20 5 DGBDRO Cc1noc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595339501 400130235 /nfs/dbraw/zinc/13/02/35/400130235.db2.gz QEMJZZRREVDBJA-JSGCOSHPSA-N 1 0 301.346 3.269 20 5 DGBDRO COc1cc(NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])cc1C ZINC000320026049 400162796 /nfs/dbraw/zinc/16/27/96/400162796.db2.gz KKXCAKZQFGOLAN-UHFFFAOYSA-N 1 0 307.394 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)c2ccncc21 ZINC000609384351 400163979 /nfs/dbraw/zinc/16/39/79/400163979.db2.gz MHVOXMILDLCXAC-ZDUSSCGKSA-N 1 0 312.373 3.039 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)C ZINC000609450492 400168054 /nfs/dbraw/zinc/16/80/54/400168054.db2.gz HWXKTDYSJCGMDU-HUUCEWRRSA-N 1 0 319.405 3.114 20 5 DGBDRO CC1(C)[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000610271492 400230590 /nfs/dbraw/zinc/23/05/90/400230590.db2.gz PBQAPESZNYRURS-PRLGKBNASA-N 1 0 316.401 3.401 20 5 DGBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000093283275 400236324 /nfs/dbraw/zinc/23/63/24/400236324.db2.gz PUMHCWUVOZFZKS-AWEZNQCLSA-N 1 0 320.389 3.006 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601111648 400236548 /nfs/dbraw/zinc/23/65/48/400236548.db2.gz WMOUWBWEKJHTBA-UHFFFAOYSA-N 1 0 314.389 3.110 20 5 DGBDRO C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000610420456 400256428 /nfs/dbraw/zinc/25/64/28/400256428.db2.gz LRHBZSQINXTVTF-AWEZNQCLSA-N 1 0 311.385 3.261 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610342108 400244736 /nfs/dbraw/zinc/24/47/36/400244736.db2.gz QQGPXZCCPDZHPI-STQMWFEESA-N 1 0 319.405 3.480 20 5 DGBDRO CC[C@H](C)[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000595602899 400199736 /nfs/dbraw/zinc/19/97/36/400199736.db2.gz XXGQZVQRCDGGOM-LBPRGKRZSA-N 1 0 323.393 3.052 20 5 DGBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000595766066 400254343 /nfs/dbraw/zinc/25/43/43/400254343.db2.gz RGCZGZXXGYJBJV-ZDUSSCGKSA-N 1 0 305.378 3.010 20 5 DGBDRO CC(C)[N@H+](CCOC[C@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000610161082 400217300 /nfs/dbraw/zinc/21/73/00/400217300.db2.gz SEFLWLKEGHLCRR-QGZVFWFLSA-N 1 0 322.405 3.001 20 5 DGBDRO Cc1c(C[NH+]2CCC3(CCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000595808733 400265636 /nfs/dbraw/zinc/26/56/36/400265636.db2.gz VPLDKPMQHOASAK-UHFFFAOYSA-N 1 0 302.374 3.238 20 5 DGBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](O)C1CC1 ZINC000589196452 400273315 /nfs/dbraw/zinc/27/33/15/400273315.db2.gz BQLSCRRTWZMSKI-MRXNPFEDSA-N 1 0 316.357 3.058 20 5 DGBDRO CC(C)CC1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000595833500 400275785 /nfs/dbraw/zinc/27/57/85/400275785.db2.gz LHAGJPLVUVXYFM-UHFFFAOYSA-N 1 0 316.361 3.313 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCCc3ncccc32)cc1[N+](=O)[O-] ZINC000601265566 400278417 /nfs/dbraw/zinc/27/84/17/400278417.db2.gz RAIVLRVMQFSMEW-HNNXBMFYSA-N 1 0 313.357 3.166 20 5 DGBDRO CCC[C@H](CCO)[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000601289902 400285229 /nfs/dbraw/zinc/28/52/29/400285229.db2.gz VXJYQYHTTQTOJB-TZMCWYRMSA-N 1 0 310.394 3.195 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601301312 400286261 /nfs/dbraw/zinc/28/62/61/400286261.db2.gz YAQSBEURZHGGIW-XDTLVQLUSA-N 1 0 320.311 3.337 20 5 DGBDRO CCCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000589309149 400287403 /nfs/dbraw/zinc/28/74/03/400287403.db2.gz JAMDVZXTLRXOKT-ZDUSSCGKSA-N 1 0 307.394 3.434 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000601304053 400287825 /nfs/dbraw/zinc/28/78/25/400287825.db2.gz LEUSXDKDSDKQDV-LLVKDONJSA-N 1 0 317.345 3.003 20 5 DGBDRO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CC1(C)C ZINC000595908121 400292271 /nfs/dbraw/zinc/29/22/71/400292271.db2.gz GBXWCVJAVRPMTE-GFCCVEGCSA-N 1 0 316.361 3.123 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595908437 400292403 /nfs/dbraw/zinc/29/24/03/400292403.db2.gz IFELHWNFEHVFFY-CALCHBBNSA-N 1 0 320.364 3.127 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000595910931 400292480 /nfs/dbraw/zinc/29/24/80/400292480.db2.gz UOJLOBWIVFYPNH-CYBMUJFWSA-N 1 0 319.405 3.210 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000595910851 400292536 /nfs/dbraw/zinc/29/25/36/400292536.db2.gz SWSVVQPSUUGWIU-CHWSQXEVSA-N 1 0 319.405 3.208 20 5 DGBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000595928367 400296314 /nfs/dbraw/zinc/29/63/14/400296314.db2.gz CCWUIDFDHJBTTI-KBPBESRZSA-N 1 0 321.421 3.092 20 5 DGBDRO CCC[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610815078 400311157 /nfs/dbraw/zinc/31/11/57/400311157.db2.gz NARQJXBYFGIEMS-RHSMWYFYSA-N 1 0 322.405 3.079 20 5 DGBDRO CCC[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610815077 400311366 /nfs/dbraw/zinc/31/13/66/400311366.db2.gz NARQJXBYFGIEMS-PBHICJAKSA-N 1 0 322.405 3.079 20 5 DGBDRO CCC[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610815080 400311550 /nfs/dbraw/zinc/31/15/50/400311550.db2.gz NARQJXBYFGIEMS-YOEHRIQHSA-N 1 0 322.405 3.079 20 5 DGBDRO C[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094076 400315762 /nfs/dbraw/zinc/31/57/62/400315762.db2.gz JFAHHGWXDVSELL-GDBMZVCRSA-N 1 0 317.433 3.367 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1CCCC1 ZINC000069227746 400318739 /nfs/dbraw/zinc/31/87/39/400318739.db2.gz VAAZYUITOMAOCL-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(=O)c1ccc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596327037 400381603 /nfs/dbraw/zinc/38/16/03/400381603.db2.gz MJLBWJZPMJKDDR-ZDUSSCGKSA-N 1 0 305.378 3.082 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000611350377 400383190 /nfs/dbraw/zinc/38/31/90/400383190.db2.gz KIQHTTVFNFYOFN-IAGOWNOFSA-N 1 0 318.417 3.276 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000601962308 400388443 /nfs/dbraw/zinc/38/84/43/400388443.db2.gz CYEDTAFUYBIFBE-ZDUSSCGKSA-N 1 0 312.797 3.338 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000610946683 400327187 /nfs/dbraw/zinc/32/71/87/400327187.db2.gz BOGBHGAMMKNOTB-WCQYABFASA-N 1 0 307.419 3.109 20 5 DGBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCC1 ZINC000611249465 400363761 /nfs/dbraw/zinc/36/37/61/400363761.db2.gz YWFHFRQRSDFSOA-UHFFFAOYSA-N 1 0 306.362 3.131 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCCC1 ZINC000611248533 400363846 /nfs/dbraw/zinc/36/38/46/400363846.db2.gz ZXMPBBRDTQKIKQ-ZDUSSCGKSA-N 1 0 324.446 3.360 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000611248554 400364166 /nfs/dbraw/zinc/36/41/66/400364166.db2.gz SRFAYHJQDSRNJP-IHRRRGAJSA-N 1 0 322.405 3.459 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C)n[nH]1 ZINC000611248446 400364193 /nfs/dbraw/zinc/36/41/93/400364193.db2.gz DROVLKZHCFLLGW-GFCCVEGCSA-N 1 0 320.418 3.287 20 5 DGBDRO CC1CCC([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253044 400365088 /nfs/dbraw/zinc/36/50/88/400365088.db2.gz WOIWQMSDFRHZGU-UHFFFAOYSA-N 1 0 320.389 3.377 20 5 DGBDRO CCCC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000611254426 400365282 /nfs/dbraw/zinc/36/52/82/400365282.db2.gz MLECTYCHVGNXJI-UHFFFAOYSA-N 1 0 306.362 3.131 20 5 DGBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000590173145 400366522 /nfs/dbraw/zinc/36/65/22/400366522.db2.gz CIPKUXJPDBYIKQ-CYBMUJFWSA-N 1 0 320.311 3.374 20 5 DGBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000596431864 400413463 /nfs/dbraw/zinc/41/34/63/400413463.db2.gz OAJIQDBKMGZQTF-VIFPVBQESA-N 1 0 316.199 3.109 20 5 DGBDRO CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000041817242 400413917 /nfs/dbraw/zinc/41/39/17/400413917.db2.gz RIRQXODDEFMXER-UHFFFAOYSA-N 1 0 322.365 3.035 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CCOC2)CC1 ZINC000611516814 400414331 /nfs/dbraw/zinc/41/43/31/400414331.db2.gz LFVLRNLHLIFMKK-AWEZNQCLSA-N 1 0 304.390 3.467 20 5 DGBDRO O=[N+]([O-])c1ccsc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000611412281 400396039 /nfs/dbraw/zinc/39/60/39/400396039.db2.gz IVUVTNNQNZRLCS-UHFFFAOYSA-N 1 0 309.435 3.359 20 5 DGBDRO C[NH+](C)CCOc1ccccc1CNc1sccc1[N+](=O)[O-] ZINC000611412205 400396420 /nfs/dbraw/zinc/39/64/20/400396420.db2.gz DBMUUIUCYCGWPE-UHFFFAOYSA-N 1 0 321.402 3.209 20 5 DGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000611413005 400396482 /nfs/dbraw/zinc/39/64/82/400396482.db2.gz UHRZBVVKPBRWAJ-AWEZNQCLSA-N 1 0 317.414 3.367 20 5 DGBDRO C[NH+](C)C(C)(C)CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000590570313 400397092 /nfs/dbraw/zinc/39/70/92/400397092.db2.gz ZPVNGJVPSBOGIN-UHFFFAOYSA-N 1 0 305.300 3.366 20 5 DGBDRO CC(C)C([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000611434226 400400791 /nfs/dbraw/zinc/40/07/91/400400791.db2.gz YSWBAFUESZQKJX-UHFFFAOYSA-N 1 0 318.377 3.415 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000611524972 400415487 /nfs/dbraw/zinc/41/54/87/400415487.db2.gz AVBFHQDMTRAAPL-UHFFFAOYSA-N 1 0 324.384 3.385 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000611470135 400406908 /nfs/dbraw/zinc/40/69/08/400406908.db2.gz DSADFTGUKMFPPO-GUTXKFCHSA-N 1 0 306.406 3.055 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(O)CCCCCC1 ZINC000117947065 400423232 /nfs/dbraw/zinc/42/32/32/400423232.db2.gz OLLASIGMJNPDTC-VQHVLOKHSA-N 1 0 304.390 3.283 20 5 DGBDRO COc1cc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596476340 400423743 /nfs/dbraw/zinc/42/37/43/400423743.db2.gz CURWSNBZHMMFQX-AWEZNQCLSA-N 1 0 319.405 3.422 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c(Cl)c1 ZINC000596477895 400424229 /nfs/dbraw/zinc/42/42/29/400424229.db2.gz LNZSSRIRRHHCGV-NSHDSACASA-N 1 0 324.812 3.462 20 5 DGBDRO Cc1cnc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596477886 400424605 /nfs/dbraw/zinc/42/46/05/400424605.db2.gz LJPMVAIICIVYGO-ZDUSSCGKSA-N 1 0 304.394 3.117 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000072945093 400418021 /nfs/dbraw/zinc/41/80/21/400418021.db2.gz YQJYDILQBMOINA-CABCVRRESA-N 1 0 318.421 3.081 20 5 DGBDRO CCC(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000602290001 400434860 /nfs/dbraw/zinc/43/48/60/400434860.db2.gz SBCIRPCFXSJSCT-HNNXBMFYSA-N 1 0 322.409 3.083 20 5 DGBDRO COc1ccc(OCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000119947915 400440565 /nfs/dbraw/zinc/44/05/65/400440565.db2.gz LYUGYGWTNOVANG-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596570686 400446752 /nfs/dbraw/zinc/44/67/52/400446752.db2.gz MTCBCVMLSUOGSQ-AWEZNQCLSA-N 1 0 319.405 3.137 20 5 DGBDRO Cc1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596571263 400447112 /nfs/dbraw/zinc/44/71/12/400447112.db2.gz RRUCVZYXRZVCJP-HNNXBMFYSA-N 1 0 303.406 3.437 20 5 DGBDRO Cc1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000596571599 400447774 /nfs/dbraw/zinc/44/77/74/400447774.db2.gz XORUBBPJNWVWQM-CYBMUJFWSA-N 1 0 309.435 3.499 20 5 DGBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602584727 400505059 /nfs/dbraw/zinc/50/50/59/400505059.db2.gz KBGJKYQOMLJADL-DOTOQJQBSA-N 1 0 306.406 3.321 20 5 DGBDRO CC(C)c1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591282903 400506069 /nfs/dbraw/zinc/50/60/69/400506069.db2.gz YYPTVYOPLSQZSW-HNNXBMFYSA-N 1 0 317.433 3.483 20 5 DGBDRO CC[C@](C)(C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000602600345 400509456 /nfs/dbraw/zinc/50/94/56/400509456.db2.gz IFAHSYSQBABRPM-CQSZACIVSA-N 1 0 300.786 3.195 20 5 DGBDRO Nc1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000596650638 400472225 /nfs/dbraw/zinc/47/22/25/400472225.db2.gz MFOVSVFKRDJINW-QGZVFWFLSA-N 1 0 311.385 3.288 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602503931 400481268 /nfs/dbraw/zinc/48/12/68/400481268.db2.gz PGTHOATYTIUONC-CZUORRHYSA-N 1 0 318.421 3.127 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1CCCCC1 ZINC000043999959 400482519 /nfs/dbraw/zinc/48/25/19/400482519.db2.gz HYZPLFUXJILMNO-CYBMUJFWSA-N 1 0 319.405 3.434 20 5 DGBDRO CN(C)[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000602513638 400484282 /nfs/dbraw/zinc/48/42/82/400484282.db2.gz YQALXKAFYGYGLE-INIZCTEOSA-N 1 0 319.430 3.091 20 5 DGBDRO CN(C)[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000602513639 400484472 /nfs/dbraw/zinc/48/44/72/400484472.db2.gz YQALXKAFYGYGLE-MRXNPFEDSA-N 1 0 319.430 3.091 20 5 DGBDRO COc1cc(C[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000602519387 400486940 /nfs/dbraw/zinc/48/69/40/400486940.db2.gz XXFKZWMTGVVANP-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1cc(C[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000602519395 400487086 /nfs/dbraw/zinc/48/70/86/400487086.db2.gz XXFKZWMTGVVANP-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1CCOCC1 ZINC000602532522 400489366 /nfs/dbraw/zinc/48/93/66/400489366.db2.gz YCTAHLPJOQYDJY-UHFFFAOYSA-N 1 0 318.295 3.130 20 5 DGBDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602548126 400494333 /nfs/dbraw/zinc/49/43/33/400494333.db2.gz MFUROHPXBPBRBE-ZDUSSCGKSA-N 1 0 320.311 3.254 20 5 DGBDRO CCCC[C@@H](COC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602555742 400495278 /nfs/dbraw/zinc/49/52/78/400495278.db2.gz ILKNOYJWXGSNBF-NSHDSACASA-N 1 0 307.350 3.031 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000612133030 400497693 /nfs/dbraw/zinc/49/76/93/400497693.db2.gz UDAGTNFPHCWETN-DZGCQCFKSA-N 1 0 304.390 3.404 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(c3ccccn3)CCC2)cc1 ZINC000602656244 400527017 /nfs/dbraw/zinc/52/70/17/400527017.db2.gz SXLRZOCZCHSUMZ-UHFFFAOYSA-N 1 0 311.385 3.244 20 5 DGBDRO CC(C)C[C@@H](CO)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129870846 400530810 /nfs/dbraw/zinc/53/08/10/400530810.db2.gz PSDWTIJVJIESRF-PVAVHDDUSA-N 1 0 320.433 3.303 20 5 DGBDRO Cc1cc(NCCCC[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000074740986 400531575 /nfs/dbraw/zinc/53/15/75/400531575.db2.gz AOMFXGPDJRTYPM-UHFFFAOYSA-N 1 0 306.410 3.222 20 5 DGBDRO Cc1cc(NC[C@@H](c2ccsc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000074739696 400531599 /nfs/dbraw/zinc/53/15/99/400531599.db2.gz BZFNBXKQGXROJG-ZDUSSCGKSA-N 1 0 306.391 3.075 20 5 DGBDRO C[C@H](CCO)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602670930 400532603 /nfs/dbraw/zinc/53/26/03/400532603.db2.gz FYGNMYUSOYEVHS-JTQLQIEISA-N 1 0 320.311 3.112 20 5 DGBDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F)CCOCC2 ZINC000592182707 400619290 /nfs/dbraw/zinc/61/92/90/400619290.db2.gz PQSDSGJPNUHKGI-GFCCVEGCSA-N 1 0 308.353 3.125 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC(F)(F)C2)n1 ZINC000618574644 400627902 /nfs/dbraw/zinc/62/79/02/400627902.db2.gz FJTUPHOXZUELHB-GRYCIOLGSA-N 1 0 314.336 3.052 20 5 DGBDRO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCC1 ZINC000047966288 400637330 /nfs/dbraw/zinc/63/73/30/400637330.db2.gz PIEFKUZUFYGKCB-UHFFFAOYSA-N 1 0 316.361 3.409 20 5 DGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357210 400637502 /nfs/dbraw/zinc/63/75/02/400637502.db2.gz UWMOXTFIHZBWLC-OCCSQVGLSA-N 1 0 316.361 3.139 20 5 DGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357175 400637741 /nfs/dbraw/zinc/63/77/41/400637741.db2.gz SHJLMFHKENAECA-JOYOIKCWSA-N 1 0 320.374 3.256 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000602831634 400586434 /nfs/dbraw/zinc/58/64/34/400586434.db2.gz KHZQUWRECCYBAG-GFCCVEGCSA-N 1 0 314.389 3.328 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000602838855 400588386 /nfs/dbraw/zinc/58/83/86/400588386.db2.gz UGJKQRGRUZFFNF-CQSZACIVSA-N 1 0 306.410 3.192 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC3(COC3)C2)o1 ZINC000597231629 400594123 /nfs/dbraw/zinc/59/41/23/400594123.db2.gz ZNDNBSFBFDYJNX-UHFFFAOYSA-N 1 0 314.341 3.077 20 5 DGBDRO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000075646001 400600564 /nfs/dbraw/zinc/60/05/64/400600564.db2.gz IJAWPLVVCBZXKY-WCQYABFASA-N 1 0 316.361 3.227 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000592375144 400641205 /nfs/dbraw/zinc/64/12/05/400641205.db2.gz RPCIKFUWUANDAR-PQKWVXEPSA-N 1 0 306.406 3.385 20 5 DGBDRO CC[C@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000075677166 400603276 /nfs/dbraw/zinc/60/32/76/400603276.db2.gz JQVKJGRTLZFIFN-CQSZACIVSA-N 1 0 305.378 3.084 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000597665795 400657464 /nfs/dbraw/zinc/65/74/64/400657464.db2.gz GKCMTERQRRLQAV-VXGBXAGGSA-N 1 0 305.378 3.023 20 5 DGBDRO C[C@H]1CC2(C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592527226 400665107 /nfs/dbraw/zinc/66/51/07/400665107.db2.gz MTLOLJCUCSICCC-VOKGJARPSA-N 1 0 316.401 3.499 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1cccs1)[NH+](C)C ZINC000076664376 400666474 /nfs/dbraw/zinc/66/64/74/400666474.db2.gz JYBUPWDIOUFCFM-GFCCVEGCSA-N 1 0 306.391 3.075 20 5 DGBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000613188794 400670102 /nfs/dbraw/zinc/67/01/02/400670102.db2.gz FMDZTJYSCSSUNH-CQSZACIVSA-N 1 0 306.410 3.084 20 5 DGBDRO CC[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000166623775 400755901 /nfs/dbraw/zinc/75/59/01/400755901.db2.gz ZQFWVUOKDVKOKE-SQNIBIBYSA-N 1 0 312.369 3.294 20 5 DGBDRO CC(C)[C@@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000603850787 400722805 /nfs/dbraw/zinc/72/28/05/400722805.db2.gz CYGULVPYJWPTAY-OAHLLOKOSA-N 1 0 306.410 3.158 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CC2(O)CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000618984281 400738021 /nfs/dbraw/zinc/73/80/21/400738021.db2.gz SMZVJGUHVIXNOH-OAHLLOKOSA-N 1 0 304.390 3.212 20 5 DGBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000162224315 400744271 /nfs/dbraw/zinc/74/42/71/400744271.db2.gz SBHBAMNGLVWOCI-CQSZACIVSA-N 1 0 320.389 3.150 20 5 DGBDRO COc1cccc(C[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000051324183 400700411 /nfs/dbraw/zinc/70/04/11/400700411.db2.gz XXYBRRGCUIIMRM-UHFFFAOYSA-N 1 0 316.357 3.244 20 5 DGBDRO COc1ccc(C[N@H+](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000052000176 400714008 /nfs/dbraw/zinc/71/40/08/400714008.db2.gz FOCFZKNUDNXLGP-UHFFFAOYSA-N 1 0 300.358 3.278 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157089381 400714782 /nfs/dbraw/zinc/71/47/82/400714782.db2.gz LWDLADPZXPTWQO-CQSZACIVSA-N 1 0 321.396 3.184 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000078562687 400808964 /nfs/dbraw/zinc/80/89/64/400808964.db2.gz CJWXMRXRTBSTAM-LBPRGKRZSA-N 1 0 311.813 3.416 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000078576637 400811600 /nfs/dbraw/zinc/81/16/00/400811600.db2.gz IJRREFQZFNVQDF-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000604304586 400762062 /nfs/dbraw/zinc/76/20/62/400762062.db2.gz QLICEQRMAMCUMR-UKRRQHHQSA-N 1 0 312.373 3.237 20 5 DGBDRO CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000053378189 400780818 /nfs/dbraw/zinc/78/08/18/400780818.db2.gz CMTDVEAEKDIZJH-CYBMUJFWSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc(OCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000053421030 400783179 /nfs/dbraw/zinc/78/31/79/400783179.db2.gz ASPLUBWDHZYJMU-UHFFFAOYSA-N 1 0 300.358 3.414 20 5 DGBDRO CC(=O)c1ccc(N(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000078455673 400801619 /nfs/dbraw/zinc/80/16/19/400801619.db2.gz LWWBUQAMCULTEG-OAHLLOKOSA-N 1 0 319.405 3.108 20 5 DGBDRO COC(C)(C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000174595409 400860418 /nfs/dbraw/zinc/86/04/18/400860418.db2.gz ALZGNNQHASTXMS-UHFFFAOYSA-N 1 0 304.346 3.369 20 5 DGBDRO C[C@H](O)CC(C)(C)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599050379 400939978 /nfs/dbraw/zinc/93/99/78/400939978.db2.gz MEFTUFBHLJPCGJ-NSHDSACASA-N 1 0 303.362 3.352 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCCOC1)CCC2 ZINC000599057355 400942595 /nfs/dbraw/zinc/94/25/95/400942595.db2.gz MWVYCILUKOYNSK-GUYCJALGSA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cccc([N+](=O)[O-])c1 ZINC000599062384 400945111 /nfs/dbraw/zinc/94/51/11/400945111.db2.gz WZFPXYVKKVRGHE-UGSOOPFHSA-N 1 0 312.369 3.387 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000599068299 400948945 /nfs/dbraw/zinc/94/89/45/400948945.db2.gz MFBMWPDYFMMSEZ-HIFRSBDPSA-N 1 0 324.421 3.441 20 5 DGBDRO CCC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000594023457 400950139 /nfs/dbraw/zinc/95/01/39/400950139.db2.gz NJVMIYZXWKRUIT-UHFFFAOYSA-N 1 0 321.377 3.013 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619783588 400905876 /nfs/dbraw/zinc/90/58/76/400905876.db2.gz SIUQTHIKXZJVME-NSHDSACASA-N 1 0 322.386 3.395 20 5 DGBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC2(CCOC2)CC1 ZINC000599074007 400952737 /nfs/dbraw/zinc/95/27/37/400952737.db2.gz IUTJEKDOBKAMDU-UHFFFAOYSA-N 1 0 313.357 3.150 20 5 DGBDRO COc1cccc([C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])OC)c1 ZINC000598986582 400920632 /nfs/dbraw/zinc/92/06/32/400920632.db2.gz DACOBVIKYHBBSS-QGZVFWFLSA-N 1 0 316.357 3.081 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CC23CCCCC3)c([N+](=O)[O-])cc1O ZINC000598983755 400920877 /nfs/dbraw/zinc/92/08/77/400920877.db2.gz TWDOWGPKDHTTNP-OAHLLOKOSA-N 1 0 306.362 3.121 20 5 DGBDRO CC(C)CC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598992185 400922996 /nfs/dbraw/zinc/92/29/96/400922996.db2.gz XYRTVVNDHPQOPS-LBPRGKRZSA-N 1 0 300.786 3.135 20 5 DGBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000599014597 400927353 /nfs/dbraw/zinc/92/73/53/400927353.db2.gz CQZCPGSLEQGXFE-XBXGTLAGSA-N 1 0 316.357 3.369 20 5 DGBDRO CC1CCC([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000198202609 400929136 /nfs/dbraw/zinc/92/91/36/400929136.db2.gz DVIHGSISSXOTEF-UHFFFAOYSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[NH+](CC)CC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000056494185 400930011 /nfs/dbraw/zinc/93/00/11/400930011.db2.gz VSRPSKCPNZDJHK-UHFFFAOYSA-N 1 0 311.451 3.210 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000599032619 400933228 /nfs/dbraw/zinc/93/32/28/400933228.db2.gz UTYPWFGKCFEDKY-PBHICJAKSA-N 1 0 306.406 3.465 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599033764 400933384 /nfs/dbraw/zinc/93/33/84/400933384.db2.gz CFWUQETYZIRGLF-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000080247848 400936191 /nfs/dbraw/zinc/93/61/91/400936191.db2.gz SAZXVVWBVJWWSU-UHFFFAOYSA-N 1 0 304.394 3.199 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000358183257 285991446 /nfs/dbraw/zinc/99/14/46/285991446.db2.gz UWCLBFDGMSJUTC-ZDUSSCGKSA-N 1 0 300.362 3.058 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCC23CC3)n1 ZINC000599091262 400957042 /nfs/dbraw/zinc/95/70/42/400957042.db2.gz IYVUDNJULYNLHF-RRFJBIMHSA-N 1 0 318.421 3.445 20 5 DGBDRO CN(CC[NH+]1CCCCC1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599097747 400959841 /nfs/dbraw/zinc/95/98/41/400959841.db2.gz MIGIBZYRWTXVLM-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO CCC(CC)[NH2+]CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000599097670 400960755 /nfs/dbraw/zinc/96/07/55/400960755.db2.gz KUDHBTPVBWQWDK-UHFFFAOYSA-N 1 0 317.336 3.386 20 5 DGBDRO Nc1c(F)c(NC[C@H]2CC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000599127949 400970033 /nfs/dbraw/zinc/97/00/33/400970033.db2.gz ROHGCSLBCGGHGP-GFCCVEGCSA-N 1 0 322.384 3.135 20 5 DGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000057156769 400976534 /nfs/dbraw/zinc/97/65/34/400976534.db2.gz UNFJVNOEISKYHI-AWEZNQCLSA-N 1 0 321.421 3.144 20 5 DGBDRO COc1cc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000599514459 401064127 /nfs/dbraw/zinc/06/41/27/401064127.db2.gz ITVGEVYLYKNHMZ-QWRGUYRKSA-N 1 0 314.332 3.327 20 5 DGBDRO COc1cc(C[N@@H+]2CCCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000599552750 401074341 /nfs/dbraw/zinc/07/43/41/401074341.db2.gz NXWUGDYYRROIGY-UHFFFAOYSA-N 1 0 300.305 3.225 20 5 DGBDRO CCOc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)ccc1[N+](=O)[O-] ZINC000599553358 401075149 /nfs/dbraw/zinc/07/51/49/401075149.db2.gz QLSYZZSROGNFPY-KGLIPLIRSA-N 1 0 322.430 3.463 20 5 DGBDRO COC1CCC([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083174445 401113142 /nfs/dbraw/zinc/11/31/42/401113142.db2.gz GIJSYLBMFDOKNQ-UHFFFAOYSA-N 1 0 319.361 3.125 20 5 DGBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000060569144 401127494 /nfs/dbraw/zinc/12/74/94/401127494.db2.gz VDIUFZSFWKYKJN-UHFFFAOYSA-N 1 0 317.433 3.293 20 5 DGBDRO C[C@@H](O)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000594615354 401136026 /nfs/dbraw/zinc/13/60/26/401136026.db2.gz NGXMTEUSUHUDIA-GFCCVEGCSA-N 1 0 316.357 3.200 20 5 DGBDRO CC1(C)CCCN1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594516770 401093776 /nfs/dbraw/zinc/09/37/76/401093776.db2.gz FFHRCAWYPDMQDK-HNNXBMFYSA-N 1 0 303.406 3.046 20 5 DGBDRO CCO[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000615833757 401160637 /nfs/dbraw/zinc/16/06/37/401160637.db2.gz NYNCAPGMYLWRCS-SHRNQRGKSA-N 1 0 304.390 3.499 20 5 DGBDRO CO[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000615837578 401160736 /nfs/dbraw/zinc/16/07/36/401160736.db2.gz FPPHEDQJGLUWRB-WKOYGUFESA-N 1 0 304.390 3.499 20 5 DGBDRO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000615833509 401160803 /nfs/dbraw/zinc/16/08/03/401160803.db2.gz VASDHWZUSNJYPM-IDJPSDCMSA-N 1 0 304.390 3.357 20 5 DGBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccc(F)cc1 ZINC000358261232 286014148 /nfs/dbraw/zinc/01/41/48/286014148.db2.gz DMLZXVCQQWVIJG-LBPRGKRZSA-N 1 0 306.341 3.014 20 5 DGBDRO CN(C)c1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000358283881 286019986 /nfs/dbraw/zinc/01/99/86/286019986.db2.gz GCAMLYKBWOLMBB-UHFFFAOYSA-N 1 0 320.418 3.142 20 5 DGBDRO COCc1csc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000594923433 401191111 /nfs/dbraw/zinc/19/11/11/401191111.db2.gz YDFWOUHYLKQENV-UHFFFAOYSA-N 1 0 306.387 3.135 20 5 DGBDRO CCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000063499562 401196885 /nfs/dbraw/zinc/19/68/85/401196885.db2.gz QVEOAJDMXDLAIZ-ZDUSSCGKSA-N 1 0 307.394 3.352 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[NH+](C(C)C)C(C)C ZINC000595002862 401225736 /nfs/dbraw/zinc/22/57/36/401225736.db2.gz ABILILVXUZWPCW-AWEZNQCLSA-N 1 0 323.437 3.373 20 5 DGBDRO COc1cc(C[NH2+]Cc2cc(C)cc(C)c2)c([N+](=O)[O-])cc1O ZINC000594973257 401216594 /nfs/dbraw/zinc/21/65/94/401216594.db2.gz KRZSVDMSZTYIAC-UHFFFAOYSA-N 1 0 316.357 3.216 20 5 DGBDRO CCCN1CC[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000594991917 401221185 /nfs/dbraw/zinc/22/11/85/401221185.db2.gz NKPZNWNQKZKIIA-DNXIFWLFSA-N 1 0 303.406 3.072 20 5 DGBDRO CO[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000594995705 401223019 /nfs/dbraw/zinc/22/30/19/401223019.db2.gz TYLVRRUOOWEYAN-DKISHCGFSA-N 1 0 304.390 3.403 20 5 DGBDRO CCC(=O)c1ccc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000359721127 286367729 /nfs/dbraw/zinc/36/77/29/286367729.db2.gz XMNHFVHGGQDMIX-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO Cc1c(C[NH2+]Cc2cnn(CC(C)C)c2)cccc1[N+](=O)[O-] ZINC000359806839 286383750 /nfs/dbraw/zinc/38/37/50/286383750.db2.gz XIRNFGVKYRCIGB-UHFFFAOYSA-N 1 0 302.378 3.046 20 5 DGBDRO Cc1cccn2c(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cnc12 ZINC000359798303 286382328 /nfs/dbraw/zinc/38/23/28/286382328.db2.gz MDHHESXCQPWKAU-UHFFFAOYSA-N 1 0 310.357 3.149 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000449156931 286395296 /nfs/dbraw/zinc/39/52/96/286395296.db2.gz UCRARKOOJYDPGK-RRQGHBQHSA-N 1 0 318.417 3.463 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CCCC1 ZINC000449209371 286897070 /nfs/dbraw/zinc/89/70/70/286897070.db2.gz QJPTXCRYYWHPEY-BBRMVZONSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000364395347 287021886 /nfs/dbraw/zinc/02/18/86/287021886.db2.gz WTOPUPPNKNRGAO-AEAUEXCSSA-N 1 0 304.390 3.449 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000173555723 164700197 /nfs/dbraw/zinc/70/01/97/164700197.db2.gz HDULZPMMDJAXCT-CJNGLKHVSA-N 1 0 317.389 3.106 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174295459 164723656 /nfs/dbraw/zinc/72/36/56/164723656.db2.gz FJWTUGJCDYDHGQ-AWEZNQCLSA-N 1 0 311.813 3.164 20 5 DGBDRO CC[C@@H](O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180786945 164894433 /nfs/dbraw/zinc/89/44/33/164894433.db2.gz HZZWERNUKRTTJA-QZTJIDSGSA-N 1 0 314.385 3.435 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185483615 165005764 /nfs/dbraw/zinc/00/57/64/165005764.db2.gz MKHJIDPEVBKJQD-UHFFFAOYSA-N 1 0 312.369 3.078 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000185576670 165009138 /nfs/dbraw/zinc/00/91/38/165009138.db2.gz GWOFSHDNQTVRLO-CXAGYDPISA-N 1 0 312.369 3.292 20 5 DGBDRO COc1cccc(NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000185721237 165014861 /nfs/dbraw/zinc/01/48/61/165014861.db2.gz JLXOCKGGMXRIHB-CYBMUJFWSA-N 1 0 307.394 3.280 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCCC[NH+]1CCCCC1 ZINC000192587221 165299054 /nfs/dbraw/zinc/29/90/54/165299054.db2.gz MYJPXHBCPXKUCD-UHFFFAOYSA-N 1 0 323.441 3.188 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248568431 165632617 /nfs/dbraw/zinc/63/26/17/165632617.db2.gz PWLXGOGFDHFSRU-HZSPNIEDSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000261959747 165772135 /nfs/dbraw/zinc/77/21/35/165772135.db2.gz OOOJIYPOIOZUSQ-ZJUUUORDSA-N 1 0 317.311 3.414 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292837386 287152644 /nfs/dbraw/zinc/15/26/44/287152644.db2.gz AYVOLCJXQKSVHM-WMLDXEAASA-N 1 0 303.406 3.074 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000182185660 432164364 /nfs/dbraw/zinc/16/43/64/432164364.db2.gz DVWJMOGEFOYEDS-CYBMUJFWSA-N 1 0 323.824 3.166 20 5 DGBDRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000142052849 432186753 /nfs/dbraw/zinc/18/67/53/432186753.db2.gz USMAEPGOLBTHCL-WXHSDQCUSA-N 1 0 307.394 3.254 20 5 DGBDRO CC(C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000269629371 432189220 /nfs/dbraw/zinc/18/92/20/432189220.db2.gz DTCMSUCBLPHTAL-INIZCTEOSA-N 1 0 300.358 3.153 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](Cc2cccs2)C2CC2)c1 ZINC000269667549 432194839 /nfs/dbraw/zinc/19/48/39/432194839.db2.gz SWUAULUIKWGAEW-MRXNPFEDSA-N 1 0 318.398 3.354 20 5 DGBDRO C[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269708890 432201459 /nfs/dbraw/zinc/20/14/59/432201459.db2.gz ORVSUTDLQSPZAM-NHYWBVRUSA-N 1 0 318.398 3.309 20 5 DGBDRO C[C@@H](O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000130671852 196100954 /nfs/dbraw/zinc/10/09/54/196100954.db2.gz ITRMCCBDHMPFPH-SNVBAGLBSA-N 1 0 324.764 3.321 20 5 DGBDRO Cc1cnn(-c2cc[nH+]cc2NCc2cccc([N+](=O)[O-])c2)c1 ZINC000182669277 432214973 /nfs/dbraw/zinc/21/49/73/432214973.db2.gz NGQDZEQCFXRICR-UHFFFAOYSA-N 1 0 309.329 3.096 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000182742546 432224653 /nfs/dbraw/zinc/22/46/53/432224653.db2.gz OMSYZPRYGWWXFO-KBPBESRZSA-N 1 0 320.389 3.049 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000172583177 432221812 /nfs/dbraw/zinc/22/18/12/432221812.db2.gz SGOJGIZMGZUIFJ-UHFFFAOYSA-N 1 0 303.406 3.045 20 5 DGBDRO CCCC[N@H+](CC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000131903307 196209188 /nfs/dbraw/zinc/20/91/88/196209188.db2.gz ITSBDBPJAFETJR-GFCCVEGCSA-N 1 0 323.393 3.052 20 5 DGBDRO Cc1ccccc1CC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295776120 225221139 /nfs/dbraw/zinc/22/11/39/225221139.db2.gz SZMHNOTUVWIRPC-SFHVURJKSA-N 1 0 314.385 3.111 20 5 DGBDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296659053 226096985 /nfs/dbraw/zinc/09/69/85/226096985.db2.gz ZPOMEZVWWRDKDH-DOMZBBRYSA-N 1 0 306.406 3.055 20 5 DGBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000296846190 226563820 /nfs/dbraw/zinc/56/38/20/226563820.db2.gz OLFMVOUPPLOZGT-QPUJVOFHSA-N 1 0 320.336 3.455 20 5 DGBDRO C[C@H]([NH2+]CC(C)(C)c1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297290894 226956575 /nfs/dbraw/zinc/95/65/75/226956575.db2.gz LWIJXGIALJEKGZ-LBPRGKRZSA-N 1 0 314.389 3.200 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CCOCC1 ZINC000290954669 222026755 /nfs/dbraw/zinc/02/67/55/222026755.db2.gz VMYUQNJFECPXRO-UHFFFAOYSA-N 1 0 305.161 3.170 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173874978 228285114 /nfs/dbraw/zinc/28/51/14/228285114.db2.gz BMRQYMOZZDPUNA-CQSZACIVSA-N 1 0 321.396 3.042 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC000177244584 228327810 /nfs/dbraw/zinc/32/78/10/228327810.db2.gz SELIYYTXZWHHJW-LBPRGKRZSA-N 1 0 308.378 3.103 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CCCO2)c2ccccc2)c1 ZINC000179976646 228354373 /nfs/dbraw/zinc/35/43/73/228354373.db2.gz WEWUCAFPMMBOCY-QZTJIDSGSA-N 1 0 312.369 3.453 20 5 DGBDRO C[C@@H]([NH2+]CC[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000299563558 229213703 /nfs/dbraw/zinc/21/37/03/229213703.db2.gz GUZOHJCXCIMZHW-CXAGYDPISA-N 1 0 300.358 3.369 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000301354268 229642981 /nfs/dbraw/zinc/64/29/81/229642981.db2.gz JVGCKJRSJWGTDR-OAHLLOKOSA-N 1 0 306.410 3.221 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413063797 230123609 /nfs/dbraw/zinc/12/36/09/230123609.db2.gz SQNNOMMRFKYFHF-GFCCVEGCSA-N 1 0 310.373 3.053 20 5 DGBDRO Cc1cc(NC[C@@H](O)CC(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302194453 230154201 /nfs/dbraw/zinc/15/42/01/230154201.db2.gz SCCFSEVAWHNSCL-ZDUSSCGKSA-N 1 0 303.362 3.270 20 5 DGBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413250078 230166346 /nfs/dbraw/zinc/16/63/46/230166346.db2.gz QOIPXVIMTUMCPN-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000189980988 263730292 /nfs/dbraw/zinc/73/02/92/263730292.db2.gz SRRUWMYGCMBMOZ-HOCLYGCPSA-N 1 0 306.406 3.359 20 5 DGBDRO CC(C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000319876789 263899585 /nfs/dbraw/zinc/89/95/85/263899585.db2.gz NQDFFKZBSPKUEW-UHFFFAOYSA-N 1 0 300.358 3.499 20 5 DGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000319744682 263899686 /nfs/dbraw/zinc/89/96/86/263899686.db2.gz UCDTZUZVBUACEK-VIFPVBQESA-N 1 0 320.315 3.149 20 5 DGBDRO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000346809321 264102027 /nfs/dbraw/zinc/10/20/27/264102027.db2.gz GCRMSMIDSKJGSV-HIFRSBDPSA-N 1 0 318.373 3.486 20 5 DGBDRO CC(C)c1ccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347023868 264141902 /nfs/dbraw/zinc/14/19/02/264141902.db2.gz QFSDMDVTVPKFBW-HIFRSBDPSA-N 1 0 305.422 3.277 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1[NH3+] ZINC000347043363 264146343 /nfs/dbraw/zinc/14/63/43/264146343.db2.gz MEKYLUPSNFMDDB-BLLLJJGKSA-N 1 0 315.373 3.024 20 5 DGBDRO [NH3+]C[C@H]1CCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347044596 264146972 /nfs/dbraw/zinc/14/69/72/264146972.db2.gz NLVRSWHQTAZTEL-CYBMUJFWSA-N 1 0 315.373 3.168 20 5 DGBDRO [NH3+]C[C@@H]1CCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347044599 264147161 /nfs/dbraw/zinc/14/71/61/264147161.db2.gz NLVRSWHQTAZTEL-ZDUSSCGKSA-N 1 0 315.373 3.168 20 5 DGBDRO [NH3+]C[C@H]1CCCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347075632 264153062 /nfs/dbraw/zinc/15/30/62/264153062.db2.gz ULXNSZYPFXXEPV-OAHLLOKOSA-N 1 0 315.373 3.168 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000347331548 264198057 /nfs/dbraw/zinc/19/80/57/264198057.db2.gz FMYWHBFMJKXINZ-RKCSUWQLSA-N 1 0 302.374 3.111 20 5 DGBDRO COC(=O)C[C@@H]1CCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347356945 264205432 /nfs/dbraw/zinc/20/54/32/264205432.db2.gz DKWOSUDZSPACBD-CTXBLAANSA-N 1 0 318.373 3.026 20 5 DGBDRO COC(=O)CC1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000347650099 264259933 /nfs/dbraw/zinc/25/99/33/264259933.db2.gz KMRMOJOKVVCBDK-UHFFFAOYSA-N 1 0 320.389 3.294 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000352393040 265031162 /nfs/dbraw/zinc/03/11/62/265031162.db2.gz XXPJQQQTWXWXEE-ZDUSSCGKSA-N 1 0 322.409 3.145 20 5 DGBDRO C[N@H+](CCCC(=O)OC(C)(C)C)CCc1ccccc1[N+](=O)[O-] ZINC000352570775 265093016 /nfs/dbraw/zinc/09/30/16/265093016.db2.gz MGPIPMSCUBNKPY-UHFFFAOYSA-N 1 0 322.405 3.191 20 5 DGBDRO CC(C)[NH+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000352771090 265159955 /nfs/dbraw/zinc/15/99/55/265159955.db2.gz XETPETMOSKIPIB-UHFFFAOYSA-N 1 0 321.377 3.012 20 5 DGBDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000352791296 265169718 /nfs/dbraw/zinc/16/97/18/265169718.db2.gz HPVOUPHJGDMJCD-PBHICJAKSA-N 1 0 314.389 3.265 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cc(C)no1 ZINC000353082769 265290928 /nfs/dbraw/zinc/29/09/28/265290928.db2.gz GSYQKQNDNDPXGX-WQLSENKSSA-N 1 0 301.346 3.127 20 5 DGBDRO CC[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)OC ZINC000353154219 265321179 /nfs/dbraw/zinc/32/11/79/265321179.db2.gz NZJVWPVUKUTFBS-LBPRGKRZSA-N 1 0 304.346 3.369 20 5 DGBDRO COc1cccc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000355333885 266041862 /nfs/dbraw/zinc/04/18/62/266041862.db2.gz RBBMHMGAQHRXHG-CHWSQXEVSA-N 1 0 307.394 3.136 20 5 DGBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000355368606 266053430 /nfs/dbraw/zinc/05/34/30/266053430.db2.gz RHOVCVIRWDJXGO-UHFFFAOYSA-N 1 0 308.378 3.067 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000355396518 266062404 /nfs/dbraw/zinc/06/24/04/266062404.db2.gz YOQXSOPPLLUWLQ-ZDUSSCGKSA-N 1 0 322.405 3.119 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOCC2(CCC2)C1 ZINC000355507767 266097843 /nfs/dbraw/zinc/09/78/43/266097843.db2.gz INZDQENAHWFJFO-ZZXKWVIFSA-N 1 0 302.374 3.111 20 5 DGBDRO Cc1c(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000355858089 266209382 /nfs/dbraw/zinc/20/93/82/266209382.db2.gz IIEPUZPWLSHLDD-UHFFFAOYSA-N 1 0 321.421 3.094 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(n2ccnc2)CC1 ZINC000182832930 432233460 /nfs/dbraw/zinc/23/34/60/432233460.db2.gz DAQDUHVQCOQOCH-AWEZNQCLSA-N 1 0 314.389 3.498 20 5 DGBDRO Cc1cccc([C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369679594 271310525 /nfs/dbraw/zinc/31/05/25/271310525.db2.gz DLJRGSUXDMOFDE-CQSZACIVSA-N 1 0 314.389 3.498 20 5 DGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000183035577 432251608 /nfs/dbraw/zinc/25/16/08/432251608.db2.gz BMJFCPSILLIMLX-WDEREUQCSA-N 1 0 304.350 3.169 20 5 DGBDRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000183039117 432251500 /nfs/dbraw/zinc/25/15/00/432251500.db2.gz QZGILXVGZGNABF-WCQYABFASA-N 1 0 307.394 3.256 20 5 DGBDRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000183039152 432252051 /nfs/dbraw/zinc/25/20/51/432252051.db2.gz QZGILXVGZGNABF-AAEUAGOBSA-N 1 0 307.394 3.256 20 5 DGBDRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000183046127 432253689 /nfs/dbraw/zinc/25/36/89/432253689.db2.gz LJTZMPNPVFKYIA-YPMHNXCESA-N 1 0 307.394 3.256 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295104839 273816773 /nfs/dbraw/zinc/81/67/73/273816773.db2.gz UPKDCGPLTUAZRH-AWEZNQCLSA-N 1 0 314.389 3.064 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000447588443 274071808 /nfs/dbraw/zinc/07/18/08/274071808.db2.gz UMWLSVFVPLBFFA-OWCLPIDISA-N 1 0 304.390 3.375 20 5 DGBDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414241751 274073091 /nfs/dbraw/zinc/07/30/91/274073091.db2.gz PBFDPLBYVANFFY-DCGLDWPTSA-N 1 0 306.406 3.319 20 5 DGBDRO COc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000414173748 274154081 /nfs/dbraw/zinc/15/40/81/274154081.db2.gz GARXZTTXWTVEAE-WFASDCNBSA-N 1 0 312.369 3.421 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000279056527 274256129 /nfs/dbraw/zinc/25/61/29/274256129.db2.gz KNIROBOXGLITTN-BDJLRTHQSA-N 1 0 314.389 3.402 20 5 DGBDRO C[C@@H]1CC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000453402357 274311502 /nfs/dbraw/zinc/31/15/02/274311502.db2.gz FRQSBWYMPUNGQZ-FFSVYQOJSA-N 1 0 304.390 3.474 20 5 DGBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339192604 274382333 /nfs/dbraw/zinc/38/23/33/274382333.db2.gz GTBYHDKTYRZPKL-PELKAZGASA-N 1 0 320.336 3.455 20 5 DGBDRO C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000331987536 274394301 /nfs/dbraw/zinc/39/43/01/274394301.db2.gz MCJKZRLBYXVIHF-WQGACYEGSA-N 1 0 303.406 3.047 20 5 DGBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)c2ccccc2C[NH2+]1 ZINC000415099844 274589436 /nfs/dbraw/zinc/58/94/36/274589436.db2.gz LIYDWWDFHYOQDS-NSHDSACASA-N 1 0 303.387 3.155 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000183117320 432259266 /nfs/dbraw/zinc/25/92/66/432259266.db2.gz KFIOFFRPTWZVAM-ZQIUZPCESA-N 1 0 306.406 3.447 20 5 DGBDRO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000089092252 274949626 /nfs/dbraw/zinc/94/96/26/274949626.db2.gz MQKCSVJZMUWFIF-WCBMZHEXSA-N 1 0 303.284 3.153 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000193836597 275035455 /nfs/dbraw/zinc/03/54/55/275035455.db2.gz UJFPJRLLWXUQNQ-AWEZNQCLSA-N 1 0 305.334 3.268 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279100959 275862363 /nfs/dbraw/zinc/86/23/63/275862363.db2.gz OHNGSCLXQMEQEH-PBFPGSCMSA-N 1 0 318.417 3.458 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000279099461 275867897 /nfs/dbraw/zinc/86/78/97/275867897.db2.gz OFEHTWBWNBOGGE-LRDDRELGSA-N 1 0 304.390 3.333 20 5 DGBDRO CC1=CCN(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000332181723 275916821 /nfs/dbraw/zinc/91/68/21/275916821.db2.gz VRNJLJXDGQQWMW-SFHVURJKSA-N 1 0 315.417 3.214 20 5 DGBDRO CCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000050444805 276001865 /nfs/dbraw/zinc/00/18/65/276001865.db2.gz QAUYDHPSVRCPPW-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000249192044 276053470 /nfs/dbraw/zinc/05/34/70/276053470.db2.gz ACSITQVXCNUOHY-UXLLHSPISA-N 1 0 304.390 3.375 20 5 DGBDRO CCN(CC)C[C@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482515325 276108864 /nfs/dbraw/zinc/10/88/64/276108864.db2.gz WPMLEERQFSNVQW-WMLDXEAASA-N 1 0 319.449 3.236 20 5 DGBDRO CCN(CC)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000236893598 276340332 /nfs/dbraw/zinc/34/03/32/276340332.db2.gz YYWIBQJQIWGTKH-MRXNPFEDSA-N 1 0 317.389 3.361 20 5 DGBDRO CCSCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000337435835 276394191 /nfs/dbraw/zinc/39/41/91/276394191.db2.gz WONPNVXBDJAFHL-OLZOCXBDSA-N 1 0 312.439 3.008 20 5 DGBDRO C[NH+](C)C1(CNc2nc3ccccc3cc2[N+](=O)[O-])CCCC1 ZINC000473514213 429714601 /nfs/dbraw/zinc/71/46/01/429714601.db2.gz QXELBTGFHONCCL-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO CC[C@@]1(C)CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000302649523 276538300 /nfs/dbraw/zinc/53/83/00/276538300.db2.gz JSPFHQUFQMLEBC-KRWDZBQOSA-N 1 0 315.373 3.457 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000449543221 276588971 /nfs/dbraw/zinc/58/89/71/276588971.db2.gz NXOPOOCJAJIKPX-BFJAYTPKSA-N 1 0 306.406 3.055 20 5 DGBDRO C[NH2+][C@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420154753 277042140 /nfs/dbraw/zinc/04/21/40/277042140.db2.gz JIPXMSPKDFSAIT-VIFPVBQESA-N 1 0 304.177 3.090 20 5 DGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302788543 277156346 /nfs/dbraw/zinc/15/63/46/277156346.db2.gz XMQGYTSXLRKYLC-WCQYABFASA-N 1 0 309.797 3.169 20 5 DGBDRO C[NH2+]CC1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420190254 277265209 /nfs/dbraw/zinc/26/52/09/277265209.db2.gz PFPAUNHYWDGOMV-UHFFFAOYSA-N 1 0 318.204 3.337 20 5 DGBDRO CO[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000274373624 277322948 /nfs/dbraw/zinc/32/29/48/277322948.db2.gz QTLJLTJOFBKRRO-IJEWVQPXSA-N 1 0 306.406 3.321 20 5 DGBDRO COC1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433229789 277469796 /nfs/dbraw/zinc/46/97/96/277469796.db2.gz FGWHUMSQECTXBJ-HNNXBMFYSA-N 1 0 304.390 3.476 20 5 DGBDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000279645001 277640267 /nfs/dbraw/zinc/64/02/67/277640267.db2.gz BDRFAEUKBLEPQX-CXAGYDPISA-N 1 0 300.358 3.461 20 5 DGBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279060606 278159452 /nfs/dbraw/zinc/15/94/52/278159452.db2.gz KWPTVVTWWBAJOG-VCTAVGKDSA-N 1 0 324.446 3.019 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCC1 ZINC000172173876 278356694 /nfs/dbraw/zinc/35/66/94/278356694.db2.gz RIDROPKITYWVAD-LLVKDONJSA-N 1 0 306.362 3.130 20 5 DGBDRO CC1(C)C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])c2cc([N+](=O)[O-])ccc21 ZINC000331992801 278369975 /nfs/dbraw/zinc/36/99/75/278369975.db2.gz MSJFXTVMNPPANQ-BZUAXINKSA-N 1 0 303.406 3.177 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332222492 278490013 /nfs/dbraw/zinc/49/00/13/278490013.db2.gz YFORAVLFPQKXGN-GHMZBOCLSA-N 1 0 302.378 3.385 20 5 DGBDRO C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)[NH2+]1 ZINC000179159265 278683426 /nfs/dbraw/zinc/68/34/26/278683426.db2.gz UFZWWBLFUBQLNH-OKILXGFUSA-N 1 0 319.408 3.210 20 5 DGBDRO CC[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000162008784 288092543 /nfs/dbraw/zinc/09/25/43/288092543.db2.gz YLXHBAFPWCTCFI-VGWMRTNUSA-N 1 0 304.390 3.449 20 5 DGBDRO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000295845813 279248849 /nfs/dbraw/zinc/24/88/49/279248849.db2.gz ATMAGGXXTJJSQJ-IAQYHMDHSA-N 1 0 306.406 3.456 20 5 DGBDRO C[C@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000425919916 279348618 /nfs/dbraw/zinc/34/86/18/279348618.db2.gz GSQXEFFDUWZQBO-MLGOLLRUSA-N 1 0 305.422 3.105 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000068836596 431145292 /nfs/dbraw/zinc/14/52/92/431145292.db2.gz GMJJABDUGOVAMI-HNNXBMFYSA-N 1 0 317.364 3.319 20 5 DGBDRO CC[C@H](C)C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000111255299 431203001 /nfs/dbraw/zinc/20/30/01/431203001.db2.gz OALMKWRFMLBHCI-NSHDSACASA-N 1 0 304.350 3.123 20 5 DGBDRO CC[C@H](C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000111253943 431205354 /nfs/dbraw/zinc/20/53/54/431205354.db2.gz YSIXXHHEWJLQOH-LBPRGKRZSA-N 1 0 307.394 3.210 20 5 DGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000280663203 279555930 /nfs/dbraw/zinc/55/59/30/279555930.db2.gz BPBBYVXTQHNGEZ-LRDDRELGSA-N 1 0 300.362 3.093 20 5 DGBDRO CC(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072491919 431334484 /nfs/dbraw/zinc/33/44/84/431334484.db2.gz QGHNGZXCJNYWNI-CQSZACIVSA-N 1 0 319.405 3.291 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000113345397 431341134 /nfs/dbraw/zinc/34/11/34/431341134.db2.gz SDCCSIODCVDMCZ-XHBSWPGZSA-N 1 0 320.389 3.376 20 5 DGBDRO Cc1c(NC(=O)c2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000072795035 431348124 /nfs/dbraw/zinc/34/81/24/431348124.db2.gz IICQMEATYBTBMD-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO COC(=O)CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000116280907 431499707 /nfs/dbraw/zinc/49/97/07/431499707.db2.gz GCJXDCMWWJELCN-UHFFFAOYSA-N 1 0 314.769 3.022 20 5 DGBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116280293 431500638 /nfs/dbraw/zinc/50/06/38/431500638.db2.gz QRKUXKCYNUUVDF-HIFRSBDPSA-N 1 0 312.797 3.374 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C(C)C)C1CCC1 ZINC000077357535 431587468 /nfs/dbraw/zinc/58/74/68/431587468.db2.gz MPMHUJKBRDJSBB-UHFFFAOYSA-N 1 0 305.378 3.105 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000078281835 431652878 /nfs/dbraw/zinc/65/28/78/431652878.db2.gz QTTXDTTUHIXYCJ-CYBMUJFWSA-N 1 0 316.361 3.409 20 5 DGBDRO Cc1cc(N2CCC(C[NH3+])CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420191601 280543352 /nfs/dbraw/zinc/54/33/52/280543352.db2.gz XBTNSNUHPSVKFO-UHFFFAOYSA-N 1 0 317.311 3.097 20 5 DGBDRO Cc1c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631229 431800480 /nfs/dbraw/zinc/80/04/80/431800480.db2.gz VLHKICZXKZCAJA-MRXNPFEDSA-N 1 0 317.433 3.067 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000123095666 431855331 /nfs/dbraw/zinc/85/53/31/431855331.db2.gz PLVKYVZJLGATNH-PHIMTYICSA-N 1 0 302.334 3.018 20 5 DGBDRO CC(C)(C)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCO ZINC000093145982 431913403 /nfs/dbraw/zinc/91/34/03/431913403.db2.gz ZVHPGGSVQJLVOS-RMKNXTFCSA-N 1 0 306.406 3.339 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CSCCS2)c1 ZINC000125173080 431916391 /nfs/dbraw/zinc/91/63/91/431916391.db2.gz CZIBDHFFDXIIKP-NSHDSACASA-N 1 0 318.851 3.186 20 5 DGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000125307445 431921123 /nfs/dbraw/zinc/92/11/23/431921123.db2.gz VLVFULDLZPRVOG-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO C[NH+](C)Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000045030519 431880971 /nfs/dbraw/zinc/88/09/71/431880971.db2.gz ASTINTNLHNLHPX-UHFFFAOYSA-N 1 0 314.345 3.300 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000090221493 431890061 /nfs/dbraw/zinc/89/00/61/431890061.db2.gz BVGIAGXYQGRSPF-YTEVENLXSA-N 1 0 318.398 3.183 20 5 DGBDRO CC(C)C[C@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550347 431893239 /nfs/dbraw/zinc/89/32/39/431893239.db2.gz XEIMIWLQXSTBKQ-OAHLLOKOSA-N 1 0 321.421 3.047 20 5 DGBDRO CCC[C@@H]([NH2+]Cc1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000090887661 431896570 /nfs/dbraw/zinc/89/65/70/431896570.db2.gz WXVAIIDIRDIVLS-MRXNPFEDSA-N 1 0 302.378 3.268 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccc3c[nH]nc3c1)CC2 ZINC000124769863 431904082 /nfs/dbraw/zinc/90/40/82/431904082.db2.gz KGHNZBRLFLTLTB-UHFFFAOYSA-N 1 0 308.341 3.029 20 5 DGBDRO Cc1csc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000126198532 431944609 /nfs/dbraw/zinc/94/46/09/431944609.db2.gz JPMHSMJJROTUSO-AWEZNQCLSA-N 1 0 317.414 3.471 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000448066073 281013499 /nfs/dbraw/zinc/01/34/99/281013499.db2.gz CEWNTKRVVYPYNV-GOEBONIOSA-N 1 0 315.417 3.356 20 5 DGBDRO C[C@@H](c1ccccn1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000127961655 431984341 /nfs/dbraw/zinc/98/43/41/431984341.db2.gz BDDXSEDDVSLJSX-ZDUSSCGKSA-N 1 0 301.346 3.062 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128376864 431992906 /nfs/dbraw/zinc/99/29/06/431992906.db2.gz KKRCRZOZLVLZHA-ZBFHGGJFSA-N 1 0 318.352 3.204 20 5 DGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000191480340 432269654 /nfs/dbraw/zinc/26/96/54/432269654.db2.gz BWRWIWKWUWAXOA-KRWDZBQOSA-N 1 0 314.385 3.284 20 5 DGBDRO C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173322982 432271653 /nfs/dbraw/zinc/27/16/53/432271653.db2.gz ZFILYKUJIJPSFY-NSHDSACASA-N 1 0 319.327 3.130 20 5 DGBDRO C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173322996 432271898 /nfs/dbraw/zinc/27/18/98/432271898.db2.gz ZFILYKUJIJPSFY-LLVKDONJSA-N 1 0 319.327 3.130 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000173314822 432272082 /nfs/dbraw/zinc/27/20/82/432272082.db2.gz MHTFMYQQTOIOGD-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000191587460 432280357 /nfs/dbraw/zinc/28/03/57/432280357.db2.gz JKBSLJDQERJDJV-YOEHRIQHSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000248552744 432300636 /nfs/dbraw/zinc/30/06/36/432300636.db2.gz JFGQNEMXSABZTE-LALPHHSUSA-N 1 0 319.405 3.256 20 5 DGBDRO Cc1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])s1 ZINC000102773093 431998258 /nfs/dbraw/zinc/99/82/58/431998258.db2.gz SEZWGDQXQTUPJP-UHFFFAOYSA-N 1 0 306.387 3.476 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000128722189 431999076 /nfs/dbraw/zinc/99/90/76/431999076.db2.gz ORIBUBOVVKFIPJ-UHFFFAOYSA-N 1 0 304.394 3.117 20 5 DGBDRO CC[N@H+](CCCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271212181 432354929 /nfs/dbraw/zinc/35/49/29/432354929.db2.gz VFLUNMFJZSFWTJ-UHFFFAOYSA-N 1 0 304.346 3.059 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCCOC ZINC000271138542 432336073 /nfs/dbraw/zinc/33/60/73/432336073.db2.gz NTYMKFIWRKJTDK-CYBMUJFWSA-N 1 0 312.435 3.482 20 5 DGBDRO Cc1cnc(C(C)(C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000183937236 432336319 /nfs/dbraw/zinc/33/63/19/432336319.db2.gz OBHGYGLLUNHVLJ-UHFFFAOYSA-N 1 0 305.403 3.427 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000174358290 432339434 /nfs/dbraw/zinc/33/94/34/432339434.db2.gz CPGAPWQMLXYPNK-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)COC1 ZINC000271157895 432339641 /nfs/dbraw/zinc/33/96/41/432339641.db2.gz RLCKERZHQPZHQL-GFCCVEGCSA-N 1 0 310.419 3.092 20 5 DGBDRO Cc1cnc(C(C)(C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000183964013 432340741 /nfs/dbraw/zinc/34/07/41/432340741.db2.gz QNPUXTWKKINDJM-UHFFFAOYSA-N 1 0 321.402 3.263 20 5 DGBDRO CC[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000271013730 432314470 /nfs/dbraw/zinc/31/44/70/432314470.db2.gz QFHQXTBIJKDJCG-UHFFFAOYSA-N 1 0 306.387 3.138 20 5 DGBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174859549 432374859 /nfs/dbraw/zinc/37/48/59/432374859.db2.gz SQWFONJAPPIKKP-MRXNPFEDSA-N 1 0 302.378 3.120 20 5 DGBDRO C[N@@H+]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000192466130 432378050 /nfs/dbraw/zinc/37/80/50/432378050.db2.gz ORMDVLTVKPGPOR-UHFFFAOYSA-N 1 0 319.408 3.166 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000174917433 432379376 /nfs/dbraw/zinc/37/93/76/432379376.db2.gz DCFFXBVZBFBDSL-CQSZACIVSA-N 1 0 321.421 3.162 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000192506284 432382324 /nfs/dbraw/zinc/38/23/24/432382324.db2.gz DACXRUFZSHXSNG-UHFFFAOYSA-N 1 0 324.450 3.144 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000271411394 432391367 /nfs/dbraw/zinc/39/13/67/432391367.db2.gz ABNHKYAGQNWHIG-WBMJQRKESA-N 1 0 318.348 3.427 20 5 DGBDRO CCC[C@H]([NH2+]CCCc1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000271462414 432400253 /nfs/dbraw/zinc/40/02/53/432400253.db2.gz KHQIGTDNDQTBHJ-HNNXBMFYSA-N 1 0 318.377 3.350 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000184556332 432405338 /nfs/dbraw/zinc/40/53/38/432405338.db2.gz STSNPQQPDOOWGD-KSSFIOAISA-N 1 0 314.385 3.239 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cccnc2)cc1[N+](=O)[O-] ZINC000152823199 432359869 /nfs/dbraw/zinc/35/98/69/432359869.db2.gz RWMUXNJGQCVQSX-CYBMUJFWSA-N 1 0 315.373 3.282 20 5 DGBDRO COC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000174597740 432360360 /nfs/dbraw/zinc/36/03/60/432360360.db2.gz NNRHKOVWZJKIJT-UHFFFAOYSA-N 1 0 304.346 3.369 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1CCO ZINC000250111595 432363965 /nfs/dbraw/zinc/36/39/65/432363965.db2.gz SZWOHWWKVIVJMQ-IJEWVQPXSA-N 1 0 306.406 3.057 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@](C)(O)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000153758483 432438910 /nfs/dbraw/zinc/43/89/10/432438910.db2.gz XQNRKCNDWHUMSZ-DCGLDWPTSA-N 1 0 324.421 3.441 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000153810253 432444444 /nfs/dbraw/zinc/44/44/44/432444444.db2.gz IESBTICYRXMSCN-CYBMUJFWSA-N 1 0 324.812 3.098 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc(C2([NH3+])CCCCC2)no1 ZINC000261836861 432455095 /nfs/dbraw/zinc/45/50/95/432455095.db2.gz CBQACLGEVBKOSR-UHFFFAOYSA-N 1 0 302.334 3.071 20 5 DGBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000261883400 432457937 /nfs/dbraw/zinc/45/79/37/432457937.db2.gz UMYVXJMCCBCXMO-KBPBESRZSA-N 1 0 319.408 3.197 20 5 DGBDRO CCOc1ccc([C@@H](C)NCC[N@H+](CC)C(C)C)cc1[N+](=O)[O-] ZINC000153498309 432414968 /nfs/dbraw/zinc/41/49/68/432414968.db2.gz HNQRQWCNCZWFFN-CQSZACIVSA-N 1 0 323.437 3.374 20 5 DGBDRO Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271527022 432415600 /nfs/dbraw/zinc/41/56/00/432415600.db2.gz REVBVLVRRZYFIT-XJKSGUPXSA-N 1 0 314.389 3.127 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000192800724 432416171 /nfs/dbraw/zinc/41/61/71/432416171.db2.gz SUKXBTYDZFUUOJ-DOMZBBRYSA-N 1 0 319.405 3.400 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271865965 432427129 /nfs/dbraw/zinc/42/71/29/432427129.db2.gz LNQGCYHCVIOYAE-XJKSGUPXSA-N 1 0 306.406 3.351 20 5 DGBDRO C[NH2+][C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000262080905 432474197 /nfs/dbraw/zinc/47/41/97/432474197.db2.gz TUKFQMZUWPBAIL-ZDUSSCGKSA-N 1 0 315.373 3.039 20 5 DGBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000262139659 432477069 /nfs/dbraw/zinc/47/70/69/432477069.db2.gz ZAWWVKVBPPHJOW-QWHCGFSZSA-N 1 0 315.373 3.037 20 5 DGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000185231698 432480886 /nfs/dbraw/zinc/48/08/86/432480886.db2.gz BPEJDRBVFLUXNO-MRXNPFEDSA-N 1 0 308.378 3.052 20 5 DGBDRO CCS[C@@H]1CCCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154239758 432484967 /nfs/dbraw/zinc/48/49/67/432484967.db2.gz RLXFTLXNVFLJTD-CVEARBPZSA-N 1 0 324.446 3.236 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000154263541 432485620 /nfs/dbraw/zinc/48/56/20/432485620.db2.gz AGCPIUYRSNZJGO-OLZOCXBDSA-N 1 0 322.405 3.459 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000154002138 432462938 /nfs/dbraw/zinc/46/29/38/432462938.db2.gz OWKUSNJVEQLYGI-YRGRVCCFSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cccc(NC[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000185089400 432465724 /nfs/dbraw/zinc/46/57/24/432465724.db2.gz DASJCBVHDWZFNY-OAHLLOKOSA-N 1 0 315.373 3.318 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000273194315 432564989 /nfs/dbraw/zinc/56/49/89/432564989.db2.gz HMZSVMMBDSISGU-KSSFIOAISA-N 1 0 314.385 3.239 20 5 DGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000194066881 432521379 /nfs/dbraw/zinc/52/13/79/432521379.db2.gz ZNBYBKACBXXWSV-UHFFFAOYSA-N 1 0 312.373 3.066 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000185673971 432521565 /nfs/dbraw/zinc/52/15/65/432521565.db2.gz IJTINLIDBTYOCO-KBXCAEBGSA-N 1 0 313.401 3.376 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000185673953 432521922 /nfs/dbraw/zinc/52/19/22/432521922.db2.gz IJTINLIDBTYOCO-KDOFPFPSSA-N 1 0 313.401 3.376 20 5 DGBDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000177581711 432639057 /nfs/dbraw/zinc/63/90/57/432639057.db2.gz OFLQIMSIJIUVQY-QGZVFWFLSA-N 1 0 318.373 3.496 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000177579741 432639809 /nfs/dbraw/zinc/63/98/09/432639809.db2.gz XPIOHDUQNRMSCM-CHWSQXEVSA-N 1 0 318.373 3.083 20 5 DGBDRO COc1cc(CN(C)Cc2cccs2)c([N+](=O)[O-])cc1F ZINC000274219589 432639897 /nfs/dbraw/zinc/63/98/97/432639897.db2.gz NGNKUELJJADISX-UHFFFAOYSA-N 1 0 310.350 3.436 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264445797 432646205 /nfs/dbraw/zinc/64/62/05/432646205.db2.gz GSSYAGDJRMWSTF-ZDUSSCGKSA-N 1 0 306.391 3.075 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000265105361 432666613 /nfs/dbraw/zinc/66/66/13/432666613.db2.gz YQJYDILQBMOINA-LSDHHAIUSA-N 1 0 318.421 3.081 20 5 DGBDRO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178077664 432692022 /nfs/dbraw/zinc/69/20/22/432692022.db2.gz GZINCTFALKUITE-CQSZACIVSA-N 1 0 321.421 3.202 20 5 DGBDRO CO[C@H](C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000188133231 432707599 /nfs/dbraw/zinc/70/75/99/432707599.db2.gz QLYMSJHSUUKCAI-CXAGYDPISA-N 1 0 300.358 3.309 20 5 DGBDRO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000187561353 432670301 /nfs/dbraw/zinc/67/03/01/432670301.db2.gz WFJOLTVUKLTTJV-WMLDXEAASA-N 1 0 306.406 3.449 20 5 DGBDRO Cc1ccnc(NC[C@@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000265231552 432677634 /nfs/dbraw/zinc/67/76/34/432677634.db2.gz NAHHQAOKGLNDGQ-LBPRGKRZSA-N 1 0 306.391 3.075 20 5 DGBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000188823156 432747693 /nfs/dbraw/zinc/74/76/93/432747693.db2.gz ORWXLNKTNNYTNT-XHSDSOJGSA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000266518986 432760433 /nfs/dbraw/zinc/76/04/33/432760433.db2.gz HSRBNIFZMOBBNS-CABCVRRESA-N 1 0 303.406 3.216 20 5 DGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178651668 432761141 /nfs/dbraw/zinc/76/11/41/432761141.db2.gz MPVHTDITBMFELK-NSHDSACASA-N 1 0 317.320 3.023 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC(F)(F)F ZINC000266670722 432777398 /nfs/dbraw/zinc/77/73/98/432777398.db2.gz YUJSOEXBHNXNNX-UHFFFAOYSA-N 1 0 306.284 3.426 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000189351296 432780428 /nfs/dbraw/zinc/78/04/28/432780428.db2.gz BHDMJTMMWGTACL-CVEARBPZSA-N 1 0 316.357 3.104 20 5 DGBDRO Cc1c([C@H](C)NCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000178410219 432731616 /nfs/dbraw/zinc/73/16/16/432731616.db2.gz YKNVBGCWCBEWQY-HNNXBMFYSA-N 1 0 305.422 3.430 20 5 DGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000235471321 432744381 /nfs/dbraw/zinc/74/43/81/432744381.db2.gz MZCXPXHZODISRE-VXGBXAGGSA-N 1 0 323.393 3.159 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000154199819 292673792 /nfs/dbraw/zinc/67/37/92/292673792.db2.gz MLCCWQRVFFUTBH-LRDDRELGSA-N 1 0 308.378 3.213 20 5 DGBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000276554925 432818526 /nfs/dbraw/zinc/81/85/26/432818526.db2.gz KVDMGKPVFUKCBG-FRRDWIJNSA-N 1 0 308.378 3.142 20 5 DGBDRO CCOc1ccc([C@@H](C)NCC[N@H+](C)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000245508731 432837601 /nfs/dbraw/zinc/83/76/01/432837601.db2.gz SNHWJBBYEUQRJJ-UONOGXRCSA-N 1 0 323.437 3.374 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000266755481 432785674 /nfs/dbraw/zinc/78/56/74/432785674.db2.gz DWXAOQJIGNDABF-BONVTDFDSA-N 1 0 322.311 3.257 20 5 DGBDRO Cc1cc(NCc2ccc(CC[NH+](C)C)cc2)ncc1[N+](=O)[O-] ZINC000276346038 432799901 /nfs/dbraw/zinc/79/99/01/432799901.db2.gz SYTKOSMFYUKZQN-UHFFFAOYSA-N 1 0 314.389 3.014 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000237782916 432800059 /nfs/dbraw/zinc/80/00/59/432800059.db2.gz RDCRGQMBPWNKLU-UHFFFAOYSA-N 1 0 322.368 3.379 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000266966328 432803689 /nfs/dbraw/zinc/80/36/89/432803689.db2.gz ZMZCBNXQRMDTQL-UHFFFAOYSA-N 1 0 310.781 3.251 20 5 DGBDRO Cn1cc(C[NH2+]Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933956 432805001 /nfs/dbraw/zinc/80/50/01/432805001.db2.gz KRKUFCXFHSEIEG-UHFFFAOYSA-N 1 0 322.368 3.285 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000161978785 432805965 /nfs/dbraw/zinc/80/59/65/432805965.db2.gz UHDRPCBPZSCTKJ-MZGVZZPPSA-N 1 0 304.390 3.367 20 5 DGBDRO CCOC(CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)OCC ZINC000276456464 432809148 /nfs/dbraw/zinc/80/91/48/432809148.db2.gz BMRALHRQECRTTO-HNNXBMFYSA-N 1 0 310.394 3.425 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000268243428 432858324 /nfs/dbraw/zinc/85/83/24/432858324.db2.gz HICYAXLCNRCMDP-HZPDHXFCSA-N 1 0 316.357 3.276 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000330663199 432924098 /nfs/dbraw/zinc/92/40/98/432924098.db2.gz SSOVXCPFLHQDAJ-CHWSQXEVSA-N 1 0 305.378 3.105 20 5 DGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331559034 432948319 /nfs/dbraw/zinc/94/83/19/432948319.db2.gz USTFBANYAIPHNP-CQSZACIVSA-N 1 0 302.378 3.482 20 5 DGBDRO CCC[C@H](NCc1nnc(C2CC2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000296450585 432910202 /nfs/dbraw/zinc/91/02/02/432910202.db2.gz MSJVOTPSTWLEJG-AWEZNQCLSA-N 1 0 315.377 3.221 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000278893429 432914256 /nfs/dbraw/zinc/91/42/56/432914256.db2.gz YSRNZOYGXVESJD-HZPDHXFCSA-N 1 0 316.357 3.197 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000330550615 432916912 /nfs/dbraw/zinc/91/69/12/432916912.db2.gz WYSHFETUDLOMNF-YPMHNXCESA-N 1 0 305.378 3.010 20 5 DGBDRO Cc1c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289480031 432964808 /nfs/dbraw/zinc/96/48/08/432964808.db2.gz IEGFXPLJSZLMJI-IRXDYDNUSA-N 1 0 316.401 3.437 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000289467469 432965601 /nfs/dbraw/zinc/96/56/01/432965601.db2.gz GWAFZGMJKLROHJ-RKDXNWHRSA-N 1 0 319.188 3.416 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000341169768 432981832 /nfs/dbraw/zinc/98/18/32/432981832.db2.gz ORLQXNLOTAECJK-GFCCVEGCSA-N 1 0 302.334 3.019 20 5 DGBDRO C[C@H]1C[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C[N@@H+]1C1CC1 ZINC000297498687 432996843 /nfs/dbraw/zinc/99/68/43/432996843.db2.gz MYGUZHWLXXTTAQ-AAEUAGOBSA-N 1 0 312.373 3.180 20 5 DGBDRO C[N@H+](CCCCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279357656 432959097 /nfs/dbraw/zinc/95/90/97/432959097.db2.gz GTYTWJKPCVASQK-UHFFFAOYSA-N 1 0 318.373 3.449 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000332377494 433003999 /nfs/dbraw/zinc/00/39/99/433003999.db2.gz YAQFJSCKOOTCSN-ZFWWWQNUSA-N 1 0 314.389 3.269 20 5 DGBDRO CO[C@]1(C)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000280146771 433005076 /nfs/dbraw/zinc/00/50/76/433005076.db2.gz DKSSBOFFIAXMLZ-ZGRWHYIRSA-N 1 0 304.390 3.499 20 5 DGBDRO C[N@H+](CC[C@H](O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000290176454 433006532 /nfs/dbraw/zinc/00/65/32/433006532.db2.gz DZXLPGLWNDVMPQ-KRWDZBQOSA-N 1 0 300.358 3.150 20 5 DGBDRO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000341275383 433013651 /nfs/dbraw/zinc/01/36/51/433013651.db2.gz JNVVWOMWRDKMCL-YXWQFLTLSA-N 1 0 306.406 3.055 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnn(CCC[NH+]3CCCCC3)c2)c1 ZINC000341344652 433033894 /nfs/dbraw/zinc/03/38/94/433033894.db2.gz FBWSGQKWXLATCU-UHFFFAOYSA-N 1 0 314.389 3.334 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000290362770 433038522 /nfs/dbraw/zinc/03/85/22/433038522.db2.gz QUYSYJIYIRLJKT-GDZNZVCISA-N 1 0 300.358 3.368 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCC[C@](C)(OC)CC2)ccc1[N+](=O)[O-] ZINC000280501241 433061487 /nfs/dbraw/zinc/06/14/87/433061487.db2.gz MYKKRCJYIFQWAI-KRWDZBQOSA-N 1 0 322.405 3.385 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]3c3ccncc3)nc2c1 ZINC000361262112 433068786 /nfs/dbraw/zinc/06/87/86/433068786.db2.gz RDFRCPGUFRCTRL-MRXNPFEDSA-N 1 0 323.356 3.203 20 5 DGBDRO CCC[C@H]([NH2+]C[C@H]1CCOC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000453291263 433070895 /nfs/dbraw/zinc/07/08/95/433070895.db2.gz MOQUODDTHNTWOM-HYVNUMGLSA-N 1 0 322.405 3.077 20 5 DGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453319562 433086852 /nfs/dbraw/zinc/08/68/52/433086852.db2.gz DDBYKZRJZFWEPW-BZUAXINKSA-N 1 0 304.390 3.474 20 5 DGBDRO Cc1ccccc1[C@H](C(C)C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350127735 433087136 /nfs/dbraw/zinc/08/71/36/433087136.db2.gz SOYUUMIYZBDNIM-KRWDZBQOSA-N 1 0 316.405 3.429 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000446891212 433122952 /nfs/dbraw/zinc/12/29/52/433122952.db2.gz VQDXRVYCWGCOON-GOSISDBHSA-N 1 0 311.385 3.396 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000298419158 433128095 /nfs/dbraw/zinc/12/80/95/433128095.db2.gz KXFGHFGREGQYIC-LLVKDONJSA-N 1 0 304.350 3.265 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453381867 433141572 /nfs/dbraw/zinc/14/15/72/433141572.db2.gz RKPXZTLEBBCGBK-CRAIPNDOSA-N 1 0 318.417 3.418 20 5 DGBDRO Cc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420283777 433144493 /nfs/dbraw/zinc/14/44/93/433144493.db2.gz OBBVBPIQACSFMT-STQMWFEESA-N 1 0 314.389 3.381 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420286068 433144718 /nfs/dbraw/zinc/14/47/18/433144718.db2.gz QFICWVUVEWOSRJ-NWDGAFQWSA-N 1 0 300.362 3.072 20 5 DGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453340991 433103236 /nfs/dbraw/zinc/10/32/36/433103236.db2.gz HKIFHEXMHKXSLP-XQLPTFJDSA-N 1 0 306.410 3.157 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC=Cc3ccccc3)nc2c1 ZINC000446832214 433108902 /nfs/dbraw/zinc/10/89/02/433108902.db2.gz NLWQHRWLMIFLFD-QPJJXVBHSA-N 1 0 308.341 3.274 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC[C@H]1CCOC1)CCC2 ZINC000453350361 433111428 /nfs/dbraw/zinc/11/14/28/433111428.db2.gz GWIXJOWFTDZTQR-SUMWQHHRSA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO[C@@H]1C1CC1 ZINC000341527637 433113909 /nfs/dbraw/zinc/11/39/09/433113909.db2.gz BQLUHNMHGREWTP-CVEARBPZSA-N 1 0 308.353 3.029 20 5 DGBDRO C[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1 ZINC000446854328 433119731 /nfs/dbraw/zinc/11/97/31/433119731.db2.gz WZCVLRUJWAKJEF-GDNZZTSVSA-N 1 0 302.378 3.385 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCC[C@@H]1CC[NH2+]C1 ZINC000420180071 433120038 /nfs/dbraw/zinc/12/00/38/433120038.db2.gz CACFAQCKXYLYBY-QMMMGPOBSA-N 1 0 304.177 3.313 20 5 DGBDRO CN(C)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000447512462 433207882 /nfs/dbraw/zinc/20/78/82/433207882.db2.gz YLDGFLDUWNIVCA-QGZVFWFLSA-N 1 0 317.433 3.436 20 5 DGBDRO CO[C@@H](C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290925200 433208279 /nfs/dbraw/zinc/20/82/79/433208279.db2.gz RBUHGIMOPUBPST-QMMMGPOBSA-N 1 0 307.177 3.416 20 5 DGBDRO Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519116 433210354 /nfs/dbraw/zinc/21/03/54/433210354.db2.gz XRDNXVJJQANEDO-HZPDHXFCSA-N 1 0 314.389 3.373 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000290853730 433187852 /nfs/dbraw/zinc/18/78/52/433187852.db2.gz JXABFFUUTPKIDT-SECBINFHSA-N 1 0 319.188 3.418 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453447026 433191925 /nfs/dbraw/zinc/19/19/25/433191925.db2.gz YXQQTELHBZVDIQ-KGLIPLIRSA-N 1 0 306.406 3.321 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CCC(Oc3ccccn3)CC2)cs1 ZINC000350553381 433203852 /nfs/dbraw/zinc/20/38/52/433203852.db2.gz DRKDLLGTUBEFPR-UHFFFAOYSA-N 1 0 319.386 3.095 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000374496187 433204388 /nfs/dbraw/zinc/20/43/88/433204388.db2.gz LCCRPZPYMDMPJQ-YLVFBTJISA-N 1 0 320.389 3.212 20 5 DGBDRO CC(C)n1cncc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000425387421 433216931 /nfs/dbraw/zinc/21/69/31/433216931.db2.gz UXQVYOCCYPEFEY-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO CC(=O)c1ccc(NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000298723030 433227465 /nfs/dbraw/zinc/22/74/65/433227465.db2.gz LAZAODPMQBKNSD-UHFFFAOYSA-N 1 0 319.405 3.472 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC1CCC([NH+](C)C)CC1 ZINC000420625744 433233891 /nfs/dbraw/zinc/23/38/91/433233891.db2.gz LHSRBUQSAJFNFU-UHFFFAOYSA-N 1 0 307.394 3.026 20 5 DGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000447819159 433287396 /nfs/dbraw/zinc/28/73/96/433287396.db2.gz XJONFAZDGZPAII-GFCCVEGCSA-N 1 0 312.801 3.176 20 5 DGBDRO CC(C)(C)[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000447830809 433292564 /nfs/dbraw/zinc/29/25/64/433292564.db2.gz LNEXJRZJEIZEEQ-MRXNPFEDSA-N 1 0 322.405 3.111 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000291673390 433311005 /nfs/dbraw/zinc/31/10/05/433311005.db2.gz WMBLWQSLJYFGDO-GZMMTYOYSA-N 1 0 319.188 3.152 20 5 DGBDRO C[C@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000425919917 433374990 /nfs/dbraw/zinc/37/49/90/433374990.db2.gz GSQXEFFDUWZQBO-WBMJQRKESA-N 1 0 305.422 3.105 20 5 DGBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000448357012 433389326 /nfs/dbraw/zinc/38/93/26/433389326.db2.gz WOWIBDCKYGTZMQ-YFZPWRCSSA-N 1 0 304.390 3.233 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000375236308 433393433 /nfs/dbraw/zinc/39/34/33/433393433.db2.gz FPONEUSHRVBOEO-CQSZACIVSA-N 1 0 304.390 3.294 20 5 DGBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301058600 433396590 /nfs/dbraw/zinc/39/65/90/433396590.db2.gz BCPLTHXKWWJUGL-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000301076039 433407226 /nfs/dbraw/zinc/40/72/26/433407226.db2.gz IVNDFAOIUOFYSC-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1cc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301110271 433419409 /nfs/dbraw/zinc/41/94/09/433419409.db2.gz OPAHWDCYRRTFRM-KBPBESRZSA-N 1 0 321.421 3.203 20 5 DGBDRO COc1cccc2c1C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000414183312 433446393 /nfs/dbraw/zinc/44/63/93/433446393.db2.gz NGKMBAKVSRQRLV-DOMZBBRYSA-N 1 0 312.369 3.421 20 5 DGBDRO CC(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301212569 433456136 /nfs/dbraw/zinc/45/61/36/433456136.db2.gz XPZYMFXZOFZAFR-CQSZACIVSA-N 1 0 317.389 3.226 20 5 DGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000414211477 433464256 /nfs/dbraw/zinc/46/42/56/433464256.db2.gz ONIJDMOQKVRAOU-PMPSAXMXSA-N 1 0 304.390 3.474 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1C ZINC000282040953 433473997 /nfs/dbraw/zinc/47/39/97/433473997.db2.gz LNGXNESKFUBKLJ-RISCZKNCSA-N 1 0 305.378 3.010 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(CO)CC1 ZINC000361979676 433479843 /nfs/dbraw/zinc/47/98/43/433479843.db2.gz BLJHBDJJGJPQGY-HLIUYOAVSA-N 1 0 306.406 3.057 20 5 DGBDRO COc1cc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301327945 433510300 /nfs/dbraw/zinc/51/03/00/433510300.db2.gz AAKPDMOGUHGXHF-QWHCGFSZSA-N 1 0 307.394 3.136 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000414297824 433523587 /nfs/dbraw/zinc/52/35/87/433523587.db2.gz PTMHNTVMDLCEEW-UKPHBRMFSA-N 1 0 308.422 3.301 20 5 DGBDRO CCc1nocc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000339343770 433523789 /nfs/dbraw/zinc/52/37/89/433523789.db2.gz ZRHYKDIZEIESKB-UHFFFAOYSA-N 1 0 309.753 3.131 20 5 DGBDRO COc1cc(NC[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301372801 433525670 /nfs/dbraw/zinc/52/56/70/433525670.db2.gz UENYFDUXLBBENR-INIZCTEOSA-N 1 0 315.373 3.318 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000351489544 433528101 /nfs/dbraw/zinc/52/81/01/433528101.db2.gz CMJCHFMGDQJFEX-IRXDYDNUSA-N 1 0 322.405 3.023 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2)n1 ZINC000351489196 433528498 /nfs/dbraw/zinc/52/84/98/433528498.db2.gz CHDMYTXKNGCEBD-HUUCEWRRSA-N 1 0 300.362 3.065 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000351489545 433528582 /nfs/dbraw/zinc/52/85/82/433528582.db2.gz CMJCHFMGDQJFEX-SJORKVTESA-N 1 0 322.405 3.023 20 5 DGBDRO COCC1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414307331 433533024 /nfs/dbraw/zinc/53/30/24/433533024.db2.gz HEURNGYRIVMMHN-HLIUYOAVSA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1ccnc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000301307575 433502699 /nfs/dbraw/zinc/50/26/99/433502699.db2.gz VRSIITZRSQXEFX-AWEZNQCLSA-N 1 0 318.352 3.152 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000426467608 433507285 /nfs/dbraw/zinc/50/72/85/433507285.db2.gz HIWHRIUIVVVAHR-CZUORRHYSA-N 1 0 317.389 3.106 20 5 DGBDRO Cc1cnc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301428453 433549033 /nfs/dbraw/zinc/54/90/33/433549033.db2.gz HVCACRVLCQHLLQ-MJBXVCDLSA-N 1 0 306.410 3.077 20 5 DGBDRO Cc1cnc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301468161 433569524 /nfs/dbraw/zinc/56/95/24/433569524.db2.gz YUTQHTBGURYGBN-OAHLLOKOSA-N 1 0 318.352 3.152 20 5 DGBDRO Cc1cnc(Nc2ccc(CC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000301465189 433570007 /nfs/dbraw/zinc/57/00/07/433570007.db2.gz WUOPEJPKNVIUBV-UHFFFAOYSA-N 1 0 300.362 3.146 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@@H](F)C2)c1 ZINC000342272248 433575611 /nfs/dbraw/zinc/57/56/11/433575611.db2.gz DPERIGXADYHJKY-NXEZZACHSA-N 1 0 304.268 3.176 20 5 DGBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000339438921 433587893 /nfs/dbraw/zinc/58/78/93/433587893.db2.gz QWBHRLLQIMMSQA-MRXNPFEDSA-N 1 0 323.824 3.166 20 5 DGBDRO CC[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000342289802 433589488 /nfs/dbraw/zinc/58/94/88/433589488.db2.gz PWHPTVXAPOGMER-PBHICJAKSA-N 1 0 305.422 3.367 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292837383 433597398 /nfs/dbraw/zinc/59/73/98/433597398.db2.gz AYVOLCJXQKSVHM-RHSMWYFYSA-N 1 0 303.406 3.074 20 5 DGBDRO CCC(CC)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000283056269 433653295 /nfs/dbraw/zinc/65/32/95/433653295.db2.gz SSXBQMOJEOZXOH-UHFFFAOYSA-N 1 0 300.786 3.279 20 5 DGBDRO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414491061 433662033 /nfs/dbraw/zinc/66/20/33/433662033.db2.gz WPAJSZKRBUZXBH-SJLPKXTDSA-N 1 0 312.369 3.211 20 5 DGBDRO COCc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293232060 433664702 /nfs/dbraw/zinc/66/47/02/433664702.db2.gz AUWNTUGRPVADCZ-GFCCVEGCSA-N 1 0 315.373 3.174 20 5 DGBDRO Cc1nc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301669052 433665876 /nfs/dbraw/zinc/66/58/76/433665876.db2.gz YCVPJTJJTPBAKA-STQMWFEESA-N 1 0 306.410 3.078 20 5 DGBDRO CC(C)[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000362385001 433675658 /nfs/dbraw/zinc/67/56/58/433675658.db2.gz PVVMJHDJVCKJJJ-OAHLLOKOSA-N 1 0 310.419 3.047 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1F ZINC000283210508 433688296 /nfs/dbraw/zinc/68/82/96/433688296.db2.gz RYULZPPFHKGZIA-UHFFFAOYSA-N 1 0 308.353 3.127 20 5 DGBDRO C[NH+]1CCC2(CCCN(c3cccc(F)c3[N+](=O)[O-])C2)CC1 ZINC000366829032 292993280 /nfs/dbraw/zinc/99/32/80/292993280.db2.gz FAPQMKFYVOMHLS-UHFFFAOYSA-N 1 0 307.369 3.046 20 5 DGBDRO Cc1ccc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000367467767 293076614 /nfs/dbraw/zinc/07/66/14/293076614.db2.gz VPVGINLIYCGLSW-OAHLLOKOSA-N 1 0 314.389 3.016 20 5 DGBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000356790681 433699907 /nfs/dbraw/zinc/69/99/07/433699907.db2.gz HRALQHHASCJCDH-UWVGGRQHSA-N 1 0 317.311 3.142 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000301736530 433700203 /nfs/dbraw/zinc/70/02/03/433700203.db2.gz HTKVEVCANKWJHN-LLVKDONJSA-N 1 0 310.785 3.072 20 5 DGBDRO CCc1ccc([C@H]2CCCCN2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370044364 293151782 /nfs/dbraw/zinc/15/17/82/293151782.db2.gz BSZUGXHIKSLUCB-CYBMUJFWSA-N 1 0 318.377 3.211 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CC2)CC1 ZINC000370269054 293167345 /nfs/dbraw/zinc/16/73/45/293167345.db2.gz AEVJPVXLUSOLEO-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301752611 433707795 /nfs/dbraw/zinc/70/77/95/433707795.db2.gz VPSFUZGILVHQBD-CYBMUJFWSA-N 1 0 324.812 3.320 20 5 DGBDRO Cn1cc(-c2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000372290444 293230603 /nfs/dbraw/zinc/23/06/03/293230603.db2.gz APKNNMVWRJRXKH-UHFFFAOYSA-N 1 0 322.368 3.285 20 5 DGBDRO C[C@@H]([N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000283344976 433709789 /nfs/dbraw/zinc/70/97/89/433709789.db2.gz QOHSNWQETXZCMK-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1ccc(C[NH2+]CC(C)(C)c2cccnc2)cc1[N+](=O)[O-] ZINC000414559726 433721589 /nfs/dbraw/zinc/72/15/89/433721589.db2.gz PLROZYKQLOXHQV-UHFFFAOYSA-N 1 0 315.373 3.066 20 5 DGBDRO COc1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000374008596 293341609 /nfs/dbraw/zinc/34/16/09/293341609.db2.gz RBQCUINTKLTPHB-ZDUSSCGKSA-N 1 0 302.330 3.186 20 5 DGBDRO COc1ccccc1CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449061843 433720569 /nfs/dbraw/zinc/72/05/69/433720569.db2.gz HSRWOEQSOKUJMA-CQSZACIVSA-N 1 0 314.385 3.367 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339683111 433728383 /nfs/dbraw/zinc/72/83/83/433728383.db2.gz MKGQNTDABCFHQK-OCCSQVGLSA-N 1 0 317.389 3.044 20 5 DGBDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC000283782998 433777521 /nfs/dbraw/zinc/77/75/21/433777521.db2.gz ROIHZRYWMNCZCS-CVEARBPZSA-N 1 0 324.384 3.149 20 5 DGBDRO O=[N+]([O-])c1ccsc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000301930541 433800581 /nfs/dbraw/zinc/80/05/81/433800581.db2.gz KRVPZWWBHMHQFK-LBPRGKRZSA-N 1 0 307.375 3.498 20 5 DGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000432146584 433819229 /nfs/dbraw/zinc/81/92/29/433819229.db2.gz CAUKXDACXNLABM-YWPYICTPSA-N 1 0 323.824 3.415 20 5 DGBDRO Cc1ccccc1[C@H]([C@@H](C)Nc1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000343806172 433831301 /nfs/dbraw/zinc/83/13/01/433831301.db2.gz JWJSGPHIHQXCAM-CJNGLKHVSA-N 1 0 314.389 3.402 20 5 DGBDRO C[C@@H](C1CCC1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000357030933 433835041 /nfs/dbraw/zinc/83/50/41/433835041.db2.gz YJCWKHVNRDCFIH-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCOC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433084402 433841441 /nfs/dbraw/zinc/84/14/41/433841441.db2.gz BBAQYDMHNYFHKK-GFCCVEGCSA-N 1 0 318.295 3.443 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433162312 433843729 /nfs/dbraw/zinc/84/37/29/433843729.db2.gz LXCGROXKOUJKJN-XJKSGUPXSA-N 1 0 304.390 3.476 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@@]2(C)CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433297775 433847446 /nfs/dbraw/zinc/84/74/46/433847446.db2.gz MFTUPJPWTCOGAS-DOTOQJQBSA-N 1 0 304.390 3.476 20 5 DGBDRO CC(C)(CCO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433285200 433848623 /nfs/dbraw/zinc/84/86/23/433848623.db2.gz LNEKXHYEVGRDOG-OAHLLOKOSA-N 1 0 306.406 3.315 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccccc1Cl ZINC000339951424 433870157 /nfs/dbraw/zinc/87/01/57/433870157.db2.gz VDVGZVXAGQYBIT-AWEZNQCLSA-N 1 0 320.780 3.358 20 5 DGBDRO Nc1ncnc(NCCCCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000302893813 433898765 /nfs/dbraw/zinc/89/87/65/433898765.db2.gz OIXLKONNOVGWLI-UHFFFAOYSA-N 1 0 321.768 3.055 20 5 DGBDRO C[C@@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000362895626 433898839 /nfs/dbraw/zinc/89/88/39/433898839.db2.gz BLVWHPFMOOTGJO-HIFRSBDPSA-N 1 0 303.406 3.262 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303374116 433933975 /nfs/dbraw/zinc/93/39/75/433933975.db2.gz KVEOAGORFPGMDQ-MRXNPFEDSA-N 1 0 320.437 3.467 20 5 DGBDRO [NH3+]C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000414854078 433883221 /nfs/dbraw/zinc/88/32/21/433883221.db2.gz UHUAYPQCALGPKC-OAHLLOKOSA-N 1 0 311.813 3.245 20 5 DGBDRO C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000302855898 433885732 /nfs/dbraw/zinc/88/57/32/433885732.db2.gz RXCNUQLWUBJTHU-CHWSQXEVSA-N 1 0 318.421 3.095 20 5 DGBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000377654253 433942854 /nfs/dbraw/zinc/94/28/54/433942854.db2.gz QVCNXGZCYAIVHV-OAHLLOKOSA-N 1 0 312.797 3.089 20 5 DGBDRO CC(C)[NH+](CCN(C)c1c2c(ccc1[N+](=O)[O-])NCC2)C(C)C ZINC000436358510 433946556 /nfs/dbraw/zinc/94/65/56/433946556.db2.gz ZQARQIRCRLHIGZ-UHFFFAOYSA-N 1 0 320.437 3.118 20 5 DGBDRO Cc1noc(C)c1C(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000285503041 433971176 /nfs/dbraw/zinc/97/11/76/433971176.db2.gz CTBJWRJIDRDDNU-UHFFFAOYSA-N 1 0 319.361 3.103 20 5 DGBDRO CCc1ccc([C@@H](O)C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000285517602 433981016 /nfs/dbraw/zinc/98/10/16/433981016.db2.gz OBGFHXPHAPHRBT-AWEZNQCLSA-N 1 0 306.387 3.042 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)CC1 ZINC000357391297 433986977 /nfs/dbraw/zinc/98/69/77/433986977.db2.gz OHFVQGVUQNWOCJ-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000357391295 433989378 /nfs/dbraw/zinc/98/93/78/433989378.db2.gz OHFVQGVUQNWOCJ-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO CCOCCC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000285409513 433936341 /nfs/dbraw/zinc/93/63/41/433936341.db2.gz XOSCFPLBRDFLFF-LBPRGKRZSA-N 1 0 307.394 3.034 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000303394435 433937815 /nfs/dbraw/zinc/93/78/15/433937815.db2.gz SLYQFKBLZHOHPW-AWEZNQCLSA-N 1 0 315.348 3.420 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCOc2cc(O)ccc2C1 ZINC000285575872 434000790 /nfs/dbraw/zinc/00/07/90/434000790.db2.gz SWKQUJUEIQWFIW-GFCCVEGCSA-N 1 0 314.341 3.256 20 5 DGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000340332525 434065279 /nfs/dbraw/zinc/06/52/79/434065279.db2.gz AAZUJZLNSOBYPQ-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO C[C@@H](CCO)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305861459 434084239 /nfs/dbraw/zinc/08/42/39/434084239.db2.gz YCHKVYQNDKOPBU-KBXCAEBGSA-N 1 0 314.385 3.292 20 5 DGBDRO CCC[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305863216 434085225 /nfs/dbraw/zinc/08/52/25/434085225.db2.gz YVBISMWAZHFMRE-MSOLQXFVSA-N 1 0 314.385 3.435 20 5 DGBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000309759453 434096582 /nfs/dbraw/zinc/09/65/82/434096582.db2.gz XRAHVTNRGKDLPR-CZUORRHYSA-N 1 0 312.373 3.065 20 5 DGBDRO [NH3+][C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000346074709 434099003 /nfs/dbraw/zinc/09/90/03/434099003.db2.gz OXYKTOZLIPIKOI-CYBMUJFWSA-N 1 0 317.414 3.246 20 5 DGBDRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000499537078 294087319 /nfs/dbraw/zinc/08/73/19/294087319.db2.gz HLJSACTVYVQROX-KGLIPLIRSA-N 1 0 306.410 3.158 20 5 DGBDRO CCc1cc(OC)ccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000500374433 294111794 /nfs/dbraw/zinc/11/17/94/294111794.db2.gz UQVSKMXALFFUMA-UHFFFAOYSA-N 1 0 314.385 3.498 20 5 DGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000501377203 294139067 /nfs/dbraw/zinc/13/90/67/294139067.db2.gz JOTPRNDVTBXVGO-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cc1 ZINC000502592100 294170142 /nfs/dbraw/zinc/17/01/42/294170142.db2.gz PADZRDKESPDXKO-ZIAGYGMSSA-N 1 0 314.332 3.277 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000503859457 294202347 /nfs/dbraw/zinc/20/23/47/294202347.db2.gz SRDOYTADSYUGJH-IRUJWGPZSA-N 1 0 300.305 3.406 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)COC ZINC000504899123 294224350 /nfs/dbraw/zinc/22/43/50/294224350.db2.gz BBGARFIEILTELB-STQMWFEESA-N 1 0 312.435 3.338 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000505641262 294247137 /nfs/dbraw/zinc/24/71/37/294247137.db2.gz UHZUJEXZNPCQRQ-OAHLLOKOSA-N 1 0 301.390 3.073 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000505820793 294255254 /nfs/dbraw/zinc/25/52/54/294255254.db2.gz UYLVWANTDAMZHK-MRXNPFEDSA-N 1 0 312.369 3.496 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505841551 294256125 /nfs/dbraw/zinc/25/61/25/294256125.db2.gz WWUJFNINWSXAGM-HNNXBMFYSA-N 1 0 312.369 3.496 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000507115304 294282428 /nfs/dbraw/zinc/28/24/28/294282428.db2.gz GIBDZXLTGFDADN-ZDUSSCGKSA-N 1 0 308.378 3.232 20 5 DGBDRO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000510281503 294379553 /nfs/dbraw/zinc/37/95/53/294379553.db2.gz GGJJTAMYCDRRIS-LBPRGKRZSA-N 1 0 310.357 3.364 20 5 DGBDRO Cc1ccc(C[N@H+](C)CCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000353454656 434140428 /nfs/dbraw/zinc/14/04/28/434140428.db2.gz LEXLDRMJICAYBB-UHFFFAOYSA-N 1 0 322.405 3.457 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cccc1[N+](=O)[O-] ZINC000340452712 434140641 /nfs/dbraw/zinc/14/06/41/434140641.db2.gz UNAJEKWIYJUKJD-NWDGAFQWSA-N 1 0 301.346 3.416 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2CC3CCC2CC3)cccc1[N+](=O)[O-] ZINC000378384357 434161090 /nfs/dbraw/zinc/16/10/90/434161090.db2.gz NJGQYWLAJSFINJ-UHFFFAOYSA-N 1 0 317.389 3.106 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000346172637 434168876 /nfs/dbraw/zinc/16/88/76/434168876.db2.gz GCULEHSXYRPXEC-VXGBXAGGSA-N 1 0 311.813 3.163 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000357772828 434171024 /nfs/dbraw/zinc/17/10/24/434171024.db2.gz DAMZGUJUOUBSKY-SNVBAGLBSA-N 1 0 323.422 3.132 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000512891678 294455640 /nfs/dbraw/zinc/45/56/40/294455640.db2.gz QLTKEJGXIZBECG-ZURRRSKRSA-N 1 0 304.390 3.260 20 5 DGBDRO C[C@@H]1[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CCC[N@@H+]1C ZINC000450442727 434184084 /nfs/dbraw/zinc/18/40/84/434184084.db2.gz TYYSXBGPMXKPOH-RISCZKNCSA-N 1 0 300.362 3.038 20 5 DGBDRO CC(C)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363924818 434188388 /nfs/dbraw/zinc/18/83/88/434188388.db2.gz SVOOSLGBIUJELK-HZPDHXFCSA-N 1 0 317.433 3.435 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000357814918 434196172 /nfs/dbraw/zinc/19/61/72/434196172.db2.gz UXPLTLICFBVODW-DLBZAZTESA-N 1 0 318.417 3.417 20 5 DGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000295098613 434198931 /nfs/dbraw/zinc/19/89/31/434198931.db2.gz SKBKCDRNPPFZPS-MRXNPFEDSA-N 1 0 320.776 3.414 20 5 DGBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295104684 434200049 /nfs/dbraw/zinc/20/00/49/434200049.db2.gz KWPUESJAROIDKD-ZDUSSCGKSA-N 1 0 304.346 3.058 20 5 DGBDRO Cc1ccc([C@H](C)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000318030552 434208625 /nfs/dbraw/zinc/20/86/25/434208625.db2.gz FJJURXXBFUXUSX-AWEZNQCLSA-N 1 0 305.422 3.428 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CC[C@@H](CO)C2)o1 ZINC000295141681 434223313 /nfs/dbraw/zinc/22/33/13/434223313.db2.gz ZTHLNZWGLVALEH-OLZOCXBDSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ncccc12 ZINC000320045060 434233137 /nfs/dbraw/zinc/23/31/37/434233137.db2.gz RMQCPLACRFZKMC-LBPRGKRZSA-N 1 0 312.373 3.039 20 5 DGBDRO C[C@@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000516315673 294603697 /nfs/dbraw/zinc/60/36/97/294603697.db2.gz PQPSNYYXGYWOKM-IAQYHMDHSA-N 1 0 316.332 3.388 20 5 DGBDRO CO[C@@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000384329778 434291552 /nfs/dbraw/zinc/29/15/52/434291552.db2.gz TZUAOMCJHUVEIV-KRWDZBQOSA-N 1 0 300.358 3.246 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000340683829 434297306 /nfs/dbraw/zinc/29/73/06/434297306.db2.gz WJVJQXYRJNCLFX-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO CCOc1cc(NCC[N@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000387121799 434316737 /nfs/dbraw/zinc/31/67/37/434316737.db2.gz ZCQZZUNSXJWUTR-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO CN(C)[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417345106 434362065 /nfs/dbraw/zinc/36/20/65/434362065.db2.gz SZXQXAMBDPGBRH-MSOLQXFVSA-N 1 0 317.433 3.292 20 5 DGBDRO CN(C)[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417345109 434363078 /nfs/dbraw/zinc/36/30/78/434363078.db2.gz SZXQXAMBDPGBRH-ZWKOTPCHSA-N 1 0 317.433 3.292 20 5 DGBDRO CC[C@H](O)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358169082 434363181 /nfs/dbraw/zinc/36/31/81/434363181.db2.gz OWKLFJVEGLNONT-HOTGVXAUSA-N 1 0 306.406 3.057 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CC1 ZINC000417357579 434365481 /nfs/dbraw/zinc/36/54/81/434365481.db2.gz RVTZVIYUYQATOK-ZDUSSCGKSA-N 1 0 323.462 3.149 20 5 DGBDRO CCC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)COC1 ZINC000417353790 434365889 /nfs/dbraw/zinc/36/58/89/434365889.db2.gz XZAYRECCHARELU-INIZCTEOSA-N 1 0 304.390 3.379 20 5 DGBDRO CCOc1ccc([C@@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423327071 434366657 /nfs/dbraw/zinc/36/66/57/434366657.db2.gz CUWWETNUCUGSRV-CXAGYDPISA-N 1 0 321.421 3.034 20 5 DGBDRO CC[NH2+][C@H](C)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423372379 434391036 /nfs/dbraw/zinc/39/10/36/434391036.db2.gz GDNLAWHMBRKOLM-KDOFPFPSSA-N 1 0 313.401 3.272 20 5 DGBDRO [NH3+][C@@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000423321121 434358585 /nfs/dbraw/zinc/35/85/85/434358585.db2.gz MTNYDXDCVKVLTC-ROUUACIJSA-N 1 0 311.385 3.011 20 5 DGBDRO C[C@@H](CCO)C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000519551951 294773310 /nfs/dbraw/zinc/77/33/10/294773310.db2.gz MVRZKLLWSIXWNV-BBRMVZONSA-N 1 0 318.417 3.361 20 5 DGBDRO CC(=O)c1cc(NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000295951352 434447498 /nfs/dbraw/zinc/44/74/98/434447498.db2.gz IQDHZDSEUXJPBU-UHFFFAOYSA-N 1 0 317.389 3.226 20 5 DGBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000287586693 434405310 /nfs/dbraw/zinc/40/53/10/434405310.db2.gz RHKJBTBASKLWRL-COXVUDFISA-N 1 0 318.417 3.178 20 5 DGBDRO C[C@@H]1C[C@@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397394401 434436896 /nfs/dbraw/zinc/43/68/96/434436896.db2.gz KVORESXMKBAGDW-NQBHXWOUSA-N 1 0 311.813 3.053 20 5 DGBDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000295845820 434440255 /nfs/dbraw/zinc/44/02/55/434440255.db2.gz ATMAGGXXTJJSQJ-XHDPSFHLSA-N 1 0 306.406 3.456 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000360036159 434488417 /nfs/dbraw/zinc/48/84/17/434488417.db2.gz MCKNCPVBTOCJHJ-IMJJTQAJSA-N 1 0 304.390 3.196 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000450948977 434500299 /nfs/dbraw/zinc/50/02/99/434500299.db2.gz IHOSTGSOONQEIM-ZDUSSCGKSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287787059 434451344 /nfs/dbraw/zinc/45/13/44/434451344.db2.gz OPNNUZDTRCOKCF-MFKMUULPSA-N 1 0 306.391 3.155 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000353817031 434453624 /nfs/dbraw/zinc/45/36/24/434453624.db2.gz GBRUIBYOUVSINY-LADOHOGBSA-N 1 0 303.406 3.023 20 5 DGBDRO CC(C)C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000341055045 434514012 /nfs/dbraw/zinc/51/40/12/434514012.db2.gz HWMCNFJBFWSOSN-AWEZNQCLSA-N 1 0 302.378 3.205 20 5 DGBDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000348838982 434520220 /nfs/dbraw/zinc/52/02/20/434520220.db2.gz SHDIPFYCDYPEBZ-LBPRGKRZSA-N 1 0 304.346 3.322 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@H]3C=CCCCCC3)CC2)n1 ZINC000407993521 434535256 /nfs/dbraw/zinc/53/52/56/434535256.db2.gz PJNYUBHQOPVHNO-AWEZNQCLSA-N 1 0 304.394 3.317 20 5 DGBDRO CCn1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000353946507 434542459 /nfs/dbraw/zinc/54/24/59/434542459.db2.gz HHWQYOMCKKSSDP-INIZCTEOSA-N 1 0 314.389 3.323 20 5 DGBDRO Cc1nc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000408284365 434558880 /nfs/dbraw/zinc/55/88/80/434558880.db2.gz XQVZBNGDAXIJHH-GUTXKFCHSA-N 1 0 318.421 3.140 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000408341859 434564374 /nfs/dbraw/zinc/56/43/74/434564374.db2.gz TYTKIWUGOURHBR-ZNMIVQPWSA-N 1 0 318.421 3.140 20 5 DGBDRO Cc1cc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000439131126 434569635 /nfs/dbraw/zinc/56/96/35/434569635.db2.gz VGNSMLFUYFFKTC-CXAGYDPISA-N 1 0 314.389 3.402 20 5 DGBDRO CO[C@H]1C[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451849989 434578409 /nfs/dbraw/zinc/57/84/09/434578409.db2.gz LFHJVGOXBKKIAU-HOTGVXAUSA-N 1 0 304.390 3.027 20 5 DGBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000418111650 434589032 /nfs/dbraw/zinc/58/90/32/434589032.db2.gz AEONYIMINBFNKC-TUAOUCFPSA-N 1 0 308.378 3.088 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000338631236 295254805 /nfs/dbraw/zinc/25/48/05/295254805.db2.gz BVKNXHGELOGQMO-KRWDZBQOSA-N 1 0 315.373 3.318 20 5 DGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000452014249 434583023 /nfs/dbraw/zinc/58/30/23/434583023.db2.gz UBCPIIVNLLBCEZ-NSHDSACASA-N 1 0 316.361 3.408 20 5 DGBDRO CN(C)C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000418116093 434593500 /nfs/dbraw/zinc/59/35/00/434593500.db2.gz QMWKBKJSJIXENF-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCn1ccnc1 ZINC000349383880 434698319 /nfs/dbraw/zinc/69/83/19/434698319.db2.gz MSRVHJAWZLHYAT-RVDMUPIBSA-N 1 0 314.389 3.217 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000349248179 434650030 /nfs/dbraw/zinc/65/00/30/434650030.db2.gz REMKCQATHXSBMZ-BLLLJJGKSA-N 1 0 308.378 3.071 20 5 DGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000354209182 434671412 /nfs/dbraw/zinc/67/14/12/434671412.db2.gz QKLQGUPHZSMKGD-STQMWFEESA-N 1 0 309.385 3.039 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H]2C2CCC2)n1 ZINC000424288805 434678151 /nfs/dbraw/zinc/67/81/51/434678151.db2.gz JJQIVEVLXMUNJN-VGWMRTNUSA-N 1 0 318.421 3.301 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1O ZINC000349341333 434680943 /nfs/dbraw/zinc/68/09/43/434680943.db2.gz AUXJEGYZGFBMDZ-MLGOLLRUSA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411283911 434754204 /nfs/dbraw/zinc/75/42/04/434754204.db2.gz XBMZOUJADLXJSV-CHWSQXEVSA-N 1 0 305.378 3.186 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCSCC(F)(F)F ZINC000354283829 434704873 /nfs/dbraw/zinc/70/48/73/434704873.db2.gz UTYWJHWEOJNXEF-HWKANZROSA-N 1 0 320.336 3.493 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000371442630 434705146 /nfs/dbraw/zinc/70/51/46/434705146.db2.gz KBWUVKNVTNVGOW-CVEARBPZSA-N 1 0 304.390 3.233 20 5 DGBDRO C[C@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459770161 434708582 /nfs/dbraw/zinc/70/85/82/434708582.db2.gz MPXBDKQMNSSZKF-GFCCVEGCSA-N 1 0 308.378 3.004 20 5 DGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000459770495 434709214 /nfs/dbraw/zinc/70/92/14/434709214.db2.gz RIBIABMKQXRLEX-KGLIPLIRSA-N 1 0 310.781 3.295 20 5 DGBDRO CCOc1cc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000459781932 434719462 /nfs/dbraw/zinc/71/94/62/434719462.db2.gz YUZPCAAHDATUPG-HOTGVXAUSA-N 1 0 320.389 3.041 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459787645 434721433 /nfs/dbraw/zinc/72/14/33/434721433.db2.gz PQGNTVYJMCJRDH-UHOFOFEASA-N 1 0 304.390 3.073 20 5 DGBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000441660337 434766527 /nfs/dbraw/zinc/76/65/27/434766527.db2.gz IFXGVWUCFDKYMQ-HNNXBMFYSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC1(C)C ZINC000419308942 434771639 /nfs/dbraw/zinc/77/16/39/434771639.db2.gz BCVCUOSUSNZPST-KBPBESRZSA-N 1 0 319.405 3.256 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411445369 434781442 /nfs/dbraw/zinc/78/14/42/434781442.db2.gz OSXCWWMAXMPNIA-OCCSQVGLSA-N 1 0 305.378 3.186 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411445364 434782152 /nfs/dbraw/zinc/78/21/52/434782152.db2.gz OSXCWWMAXMPNIA-GXTWGEPZSA-N 1 0 305.378 3.186 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412050174 434862024 /nfs/dbraw/zinc/86/20/24/434862024.db2.gz XQWNREFHQJVKJV-NWDGAFQWSA-N 1 0 305.378 3.042 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412050175 434862729 /nfs/dbraw/zinc/86/27/29/434862729.db2.gz XQWNREFHQJVKJV-RYUDHWBXSA-N 1 0 305.378 3.042 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000445577750 434813078 /nfs/dbraw/zinc/81/30/78/434813078.db2.gz WMJVUQBPWRPMLE-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000445577749 434813251 /nfs/dbraw/zinc/81/32/51/434813251.db2.gz WMJVUQBPWRPMLE-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO CC(C)c1ccc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000361168359 434821239 /nfs/dbraw/zinc/82/12/39/434821239.db2.gz SISGJSIQKRZVNE-UONOGXRCSA-N 1 0 305.422 3.243 20 5 DGBDRO CC[C@@H]([NH2+]CCCN1CCCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000361220717 434833255 /nfs/dbraw/zinc/83/32/55/434833255.db2.gz NJMKPDKZQQVUGG-MRXNPFEDSA-N 1 0 319.405 3.038 20 5 DGBDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000372525156 434837716 /nfs/dbraw/zinc/83/77/16/434837716.db2.gz XLPIOCKOEQMNSU-ZLIFDBKOSA-N 1 0 304.390 3.451 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412037482 434858175 /nfs/dbraw/zinc/85/81/75/434858175.db2.gz HTMKGPITFUUNEU-ZDUSSCGKSA-N 1 0 319.405 3.352 20 5 DGBDRO CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000521693306 434892844 /nfs/dbraw/zinc/89/28/44/434892844.db2.gz KFCURZAIXJXIFZ-CYBMUJFWSA-N 1 0 307.394 3.352 20 5 DGBDRO Cc1cc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461964800 434894841 /nfs/dbraw/zinc/89/48/41/434894841.db2.gz LBKLRROUYFWRKS-CQSZACIVSA-N 1 0 321.396 3.210 20 5 DGBDRO Cc1cc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461968685 434896137 /nfs/dbraw/zinc/89/61/37/434896137.db2.gz BMOBYNKTIQJJSW-GFCCVEGCSA-N 1 0 307.369 3.471 20 5 DGBDRO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000573707937 434919673 /nfs/dbraw/zinc/91/96/73/434919673.db2.gz NWCCHNULYXIFCW-QPUJVOFHSA-N 1 0 318.204 3.288 20 5 DGBDRO C[N@H+](CCOc1ccccc1F)CCc1ccc([N+](=O)[O-])cc1 ZINC000523701615 434958229 /nfs/dbraw/zinc/95/82/29/434958229.db2.gz JWYXHRPDXAVNKO-UHFFFAOYSA-N 1 0 318.348 3.287 20 5 DGBDRO CC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464787430 435002468 /nfs/dbraw/zinc/00/24/68/435002468.db2.gz AMWFHQUGMZFPNO-OAHLLOKOSA-N 1 0 310.419 3.191 20 5 DGBDRO CC[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464787429 435003133 /nfs/dbraw/zinc/00/31/33/435003133.db2.gz AMWFHQUGMZFPNO-HNNXBMFYSA-N 1 0 310.419 3.191 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1COc2ccc(F)cc21 ZINC000466471004 435077917 /nfs/dbraw/zinc/07/79/17/435077917.db2.gz BITSMOUZDDVGKJ-UJAVWCLSSA-N 1 0 314.316 3.470 20 5 DGBDRO COc1ccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000531233360 435079517 /nfs/dbraw/zinc/07/95/17/435079517.db2.gz HDSNHZDXYXUISJ-INIZCTEOSA-N 1 0 312.369 3.420 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000556923023 435039058 /nfs/dbraw/zinc/03/90/58/435039058.db2.gz HDQHTLNTFCYPIO-RDJZCZTQSA-N 1 0 319.449 3.380 20 5 DGBDRO CCCC[NH+](CCCC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000492785490 435050091 /nfs/dbraw/zinc/05/00/91/435050091.db2.gz UKVUFYXEOBUQNZ-UHFFFAOYSA-N 1 0 321.421 3.460 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000579345679 435147340 /nfs/dbraw/zinc/14/73/40/435147340.db2.gz LFLVNWWBLVXBON-HZSPNIEDSA-N 1 0 319.405 3.338 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN(C)CC(F)(F)F ZINC000532225010 435149005 /nfs/dbraw/zinc/14/90/05/435149005.db2.gz GHNKAMRYVPPPFY-NSHDSACASA-N 1 0 319.327 3.048 20 5 DGBDRO COC(=O)CCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000531479911 435097577 /nfs/dbraw/zinc/09/75/77/435097577.db2.gz MKHQODKQZLOAAP-UHFFFAOYSA-N 1 0 320.389 3.068 20 5 DGBDRO Cc1cc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000558718046 435108576 /nfs/dbraw/zinc/10/85/76/435108576.db2.gz GGXCVOCYSXLPIR-BBRMVZONSA-N 1 0 315.373 3.392 20 5 DGBDRO CCOc1cc(C[NH2+][C@H](CO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000559075999 435122199 /nfs/dbraw/zinc/12/21/99/435122199.db2.gz SJBBOSVWMHFYSI-OAHLLOKOSA-N 1 0 322.405 3.024 20 5 DGBDRO CO[C@]1(C)CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000475278322 435187209 /nfs/dbraw/zinc/18/72/09/435187209.db2.gz IOCDLDFPKAMOGW-OOXMNIKJSA-N 1 0 304.390 3.499 20 5 DGBDRO CO[C@]1(C)CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000475278321 435188317 /nfs/dbraw/zinc/18/83/17/435188317.db2.gz IOCDLDFPKAMOGW-IDKBZEPQSA-N 1 0 304.390 3.499 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CN1CCCCC1 ZINC000579854302 435188772 /nfs/dbraw/zinc/18/87/72/435188772.db2.gz UJFUZLBTZLTJRK-RBFDBLARSA-N 1 0 317.433 3.462 20 5 DGBDRO CCC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000579494736 435159918 /nfs/dbraw/zinc/15/99/18/435159918.db2.gz ZJDXUJLLCBAYSJ-HNNXBMFYSA-N 1 0 304.390 3.379 20 5 DGBDRO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CC1 ZINC000533495390 435240987 /nfs/dbraw/zinc/24/09/87/435240987.db2.gz VYGZGRPBXCCSLE-UHFFFAOYSA-N 1 0 306.362 3.082 20 5 DGBDRO C[C@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000478226388 435293876 /nfs/dbraw/zinc/29/38/76/435293876.db2.gz GZTVLHQYWCVYHL-MRXNPFEDSA-N 1 0 310.369 3.155 20 5 DGBDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000478282936 435294675 /nfs/dbraw/zinc/29/46/75/435294675.db2.gz VQDMSKHPLVPEQG-ZFWWWQNUSA-N 1 0 310.369 3.417 20 5 DGBDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000478282932 435296096 /nfs/dbraw/zinc/29/60/96/435296096.db2.gz VQDMSKHPLVPEQG-HIFRSBDPSA-N 1 0 310.369 3.417 20 5 DGBDRO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1F ZINC000511137157 435316759 /nfs/dbraw/zinc/31/67/59/435316759.db2.gz BWLSTXBKNGTXEZ-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000567610830 435335321 /nfs/dbraw/zinc/33/53/21/435335321.db2.gz IWPGLKBZMCCFCQ-OAHLLOKOSA-N 1 0 302.330 3.234 20 5 DGBDRO COc1ccc(F)cc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511062243 435313612 /nfs/dbraw/zinc/31/36/12/435313612.db2.gz CYQVZLYITAIAFN-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO CCC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513821600 435402371 /nfs/dbraw/zinc/40/23/71/435402371.db2.gz LUECFQMQKNNIOY-ZVZYQTTQSA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000481108477 435410677 /nfs/dbraw/zinc/41/06/77/435410677.db2.gz LQYWEVNXUMKVHK-STQMWFEESA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536363788 435378047 /nfs/dbraw/zinc/37/80/47/435378047.db2.gz SADWVVJRDNQZPT-NEPJUHHUSA-N 1 0 301.346 3.480 20 5 DGBDRO CC(C)c1ccc(C[N@H+](C)CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000537623405 435456843 /nfs/dbraw/zinc/45/68/43/435456843.db2.gz CMOQAKVKIFNESS-UHFFFAOYSA-N 1 0 306.406 3.455 20 5 DGBDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537967003 435477788 /nfs/dbraw/zinc/47/77/88/435477788.db2.gz PGISHYIRMWBVHA-SCLBCKFNSA-N 1 0 312.369 3.497 20 5 DGBDRO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000569222323 435514290 /nfs/dbraw/zinc/51/42/90/435514290.db2.gz WLUJVHHXOKRDGL-CABCVRRESA-N 1 0 307.438 3.234 20 5 DGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000538725757 435517353 /nfs/dbraw/zinc/51/73/53/435517353.db2.gz VKUQJYFVYRRINF-AAEUAGOBSA-N 1 0 308.378 3.232 20 5 DGBDRO CC(C)[N@H+](CCCc1cncn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000568898006 435482524 /nfs/dbraw/zinc/48/25/24/435482524.db2.gz HQZUNILJHLDYGX-UHFFFAOYSA-N 1 0 316.405 3.172 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000568918185 435485518 /nfs/dbraw/zinc/48/55/18/435485518.db2.gz BVACDOPXUKSZNX-CYBMUJFWSA-N 1 0 322.409 3.145 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000569047036 435496532 /nfs/dbraw/zinc/49/65/32/435496532.db2.gz QFEHOEWEKYCGGB-GFCCVEGCSA-N 1 0 307.394 3.330 20 5 DGBDRO CC(C)(C)CC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000515744311 435500681 /nfs/dbraw/zinc/50/06/81/435500681.db2.gz CEUZULWXBWLYER-UHFFFAOYSA-N 1 0 305.422 3.149 20 5 DGBDRO CC(C)C[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541069437 435636458 /nfs/dbraw/zinc/63/64/58/435636458.db2.gz CXGHLMYZJWGZAY-CQSZACIVSA-N 1 0 312.797 3.495 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000570276844 435604748 /nfs/dbraw/zinc/60/47/48/435604748.db2.gz USTAUSXPWMTUEP-WBVHZDCISA-N 1 0 304.390 3.028 20 5 DGBDRO CC(C)C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N(C)C ZINC000571225186 435688861 /nfs/dbraw/zinc/68/88/61/435688861.db2.gz VSTZGLRUAQBCOI-CZUORRHYSA-N 1 0 305.422 3.148 20 5 DGBDRO COc1ccc(F)cc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549174386 435749356 /nfs/dbraw/zinc/74/93/56/435749356.db2.gz ZMTREGFPOQIUPA-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H](C)OC ZINC000519861093 435715499 /nfs/dbraw/zinc/71/54/99/435715499.db2.gz UZLGQWYDJLRIHN-AGIUHOORSA-N 1 0 312.435 3.479 20 5 DGBDRO C[C@H]1CCCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548763621 435716471 /nfs/dbraw/zinc/71/64/71/435716471.db2.gz RHWOLXCOEDRIGW-KBPBESRZSA-N 1 0 319.405 3.339 20 5 DGBDRO [NH3+]C1(CNC(=O)c2cc3ccccc3c3cccnc23)CCCC1 ZINC000662651447 436376005 /nfs/dbraw/zinc/37/60/05/436376005.db2.gz BXILXGGNPHTCAV-UHFFFAOYSA-N 1 0 319.408 3.389 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000538392063 313860505 /nfs/dbraw/zinc/86/05/05/313860505.db2.gz IXNAMZKGGRHZMY-CQSZACIVSA-N 1 0 308.378 3.376 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)c1cccc(F)c1 ZINC000540184857 313951186 /nfs/dbraw/zinc/95/11/86/313951186.db2.gz XLVTZDZXGMYXPY-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000543248057 314124121 /nfs/dbraw/zinc/12/41/21/314124121.db2.gz OFTAOEUVRVZOEA-CYBMUJFWSA-N 1 0 319.405 3.210 20 5 DGBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000544193274 314180144 /nfs/dbraw/zinc/18/01/44/314180144.db2.gz HJNXJHVNCXLHIS-AWEZNQCLSA-N 1 0 320.389 3.329 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC[N@@H+]1C ZINC000545474545 314253514 /nfs/dbraw/zinc/25/35/14/314253514.db2.gz LWDBONUVOMQSCS-NXEZZACHSA-N 1 0 315.320 3.091 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000548634470 314461155 /nfs/dbraw/zinc/46/11/55/314461155.db2.gz YFRJVLFLRLVCRB-LBPRGKRZSA-N 1 0 310.419 3.095 20 5 DGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@]1(C)CCCO1 ZINC000550937740 314545850 /nfs/dbraw/zinc/54/58/50/314545850.db2.gz LQKSGUJMHBWCFG-YOEHRIQHSA-N 1 0 306.406 3.465 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@]1(C)CCCO1 ZINC000551294997 314557153 /nfs/dbraw/zinc/55/71/53/314557153.db2.gz XWJNLDNVCMCUHE-ABAIWWIYSA-N 1 0 312.797 3.338 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCCC1(C)C ZINC000552356382 314612626 /nfs/dbraw/zinc/61/26/26/314612626.db2.gz QHUUGJLMNDXUQB-RDTXWAMCSA-N 1 0 320.433 3.447 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000556240357 314750128 /nfs/dbraw/zinc/75/01/28/314750128.db2.gz XNHPRJVTAQTQGM-UNEWFSDZSA-N 1 0 320.433 3.445 20 5 DGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000563671425 315130916 /nfs/dbraw/zinc/13/09/16/315130916.db2.gz WYCBITNQYURLMO-ZIAGYGMSSA-N 1 0 321.421 3.106 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@H](CO)C2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000564428579 315175811 /nfs/dbraw/zinc/17/58/11/315175811.db2.gz WXIVICPEWMNLBC-IAGOWNOFSA-N 1 0 318.417 3.458 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CO1 ZINC000564961198 315215280 /nfs/dbraw/zinc/21/52/80/315215280.db2.gz NQERSSMZUSKFKJ-NEPJUHHUSA-N 1 0 302.330 3.122 20 5 DGBDRO CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000566424786 315344210 /nfs/dbraw/zinc/34/42/10/315344210.db2.gz QDGWBDYZIZVZMC-UHFFFAOYSA-N 1 0 317.433 3.088 20 5 DGBDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000566808777 315375567 /nfs/dbraw/zinc/37/55/67/315375567.db2.gz ZVTRGHPPBVBMKB-UHFFFAOYSA-N 1 0 324.421 3.270 20 5 DGBDRO CC[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])OC ZINC000568334094 315503122 /nfs/dbraw/zinc/50/31/22/315503122.db2.gz TUODDXKSVPRCPU-NUEKZKHPSA-N 1 0 306.406 3.321 20 5 DGBDRO CCCN(C/C=C\c1ccccc1[N+](=O)[O-])CC[NH+]1CCCC1 ZINC000568682277 315529096 /nfs/dbraw/zinc/52/90/96/315529096.db2.gz RQCLYQJPURQECE-CLFYSBASSA-N 1 0 317.433 3.416 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCOCC(F)(F)F ZINC000568901140 315544576 /nfs/dbraw/zinc/54/45/76/315544576.db2.gz MZSFBOFACPYXCX-LBPRGKRZSA-N 1 0 318.295 3.141 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(CSCC2CC[NH2+]CC2)c(F)c1 ZINC000568996756 315550889 /nfs/dbraw/zinc/55/08/89/315550889.db2.gz APNYBYMSPPGZBE-UHFFFAOYSA-N 1 0 302.346 3.106 20 5 DGBDRO Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575922746 316075844 /nfs/dbraw/zinc/07/58/44/316075844.db2.gz HLUSQZIZTOCDBS-BDAKNGLRSA-N 1 0 305.300 3.460 20 5 DGBDRO CCC(CC)(C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000183876911 323348798 /nfs/dbraw/zinc/34/87/98/323348798.db2.gz OXEAGOZGHKDKMF-GFCCVEGCSA-N 1 0 308.378 3.225 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000192800592 323459123 /nfs/dbraw/zinc/45/91/23/323459123.db2.gz MGMUYOZJFUXUPY-WFASDCNBSA-N 1 0 319.405 3.400 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580569878 324014402 /nfs/dbraw/zinc/01/44/02/324014402.db2.gz ILNHPVXAFCURRB-BBRMVZONSA-N 1 0 305.422 3.292 20 5 DGBDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000580744508 324032992 /nfs/dbraw/zinc/03/29/92/324032992.db2.gz WLUJVHHXOKRDGL-HUUCEWRRSA-N 1 0 307.438 3.234 20 5 DGBDRO C[N@H+](CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCC1 ZINC000581142093 324079734 /nfs/dbraw/zinc/07/97/34/324079734.db2.gz JBVQPTUNRBQHGK-MRXNPFEDSA-N 1 0 303.406 3.046 20 5 DGBDRO CC(C)[C@@H](O)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000582645805 324255863 /nfs/dbraw/zinc/25/58/63/324255863.db2.gz XGRHAZFFRHIFQD-DLBZAZTESA-N 1 0 318.417 3.359 20 5 DGBDRO CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000582645808 324256942 /nfs/dbraw/zinc/25/69/42/324256942.db2.gz XGRHAZFFRHIFQD-SJORKVTESA-N 1 0 318.417 3.359 20 5 DGBDRO COc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)ccc1C ZINC000582825291 324280085 /nfs/dbraw/zinc/28/00/85/324280085.db2.gz NXPRGZXDAWTXQF-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO Cc1ccsc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582857091 324284620 /nfs/dbraw/zinc/28/46/20/324284620.db2.gz XFYABAYEXKTIFN-UHFFFAOYSA-N 1 0 319.386 3.083 20 5 DGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ncccc1O ZINC000583348520 324341803 /nfs/dbraw/zinc/34/18/03/324341803.db2.gz SVRGCZYERKVSSF-UHFFFAOYSA-N 1 0 301.346 3.106 20 5 DGBDRO CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000583771386 324395725 /nfs/dbraw/zinc/39/57/25/324395725.db2.gz XNTSZOMRVYAOJE-BHYGNILZSA-N 1 0 320.433 3.160 20 5 DGBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1csc([N+](=O)[O-])c1 ZINC000309648035 533745509 /nfs/dbraw/zinc/74/55/09/533745509.db2.gz DOOIRFJXDCQTRH-ZDUSSCGKSA-N 1 0 319.430 3.266 20 5 DGBDRO CS[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000331302313 533979493 /nfs/dbraw/zinc/97/94/93/533979493.db2.gz FDRIPGXZOKVHIO-CQSZACIVSA-N 1 0 310.419 3.319 20 5 DGBDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417306757 534100165 /nfs/dbraw/zinc/10/01/65/534100165.db2.gz GLDAXFFUAQFMRT-GDZNZVCISA-N 1 0 306.406 3.359 20 5 DGBDRO Cc1ccc(-c2noc(C34CCC[NH+]3CCC4)n2)cc1[N+](=O)[O-] ZINC000420481885 534230315 /nfs/dbraw/zinc/23/03/15/534230315.db2.gz OXCIIUXUTKEMSZ-UHFFFAOYSA-N 1 0 314.345 3.038 20 5 DGBDRO Cc1ccn(C2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000434500730 534321296 /nfs/dbraw/zinc/32/12/96/534321296.db2.gz CUBMFRPJVKQKIL-CQSZACIVSA-N 1 0 314.389 3.498 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415297924 534321700 /nfs/dbraw/zinc/32/17/00/534321700.db2.gz OUVVUXJZECVKTC-ZDUSSCGKSA-N 1 0 322.409 3.049 20 5 DGBDRO O=C(CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000177523379 534417059 /nfs/dbraw/zinc/41/70/59/534417059.db2.gz LPYJQFFPRGVKDO-OKILXGFUSA-N 1 0 317.389 3.045 20 5 DGBDRO CCCC[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182457292 520505254 /nfs/dbraw/zinc/50/52/54/520505254.db2.gz KHOPJWFJFBINBJ-UHFFFAOYSA-N 1 0 300.786 3.233 20 5 DGBDRO CC[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000158270251 522828279 /nfs/dbraw/zinc/82/82/79/522828279.db2.gz SGPDKFZOQXGMPO-RHSMWYFYSA-N 1 0 322.405 3.079 20 5 DGBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000264925948 524472097 /nfs/dbraw/zinc/47/20/97/524472097.db2.gz RBSZWZDGBWLLDA-AWEZNQCLSA-N 1 0 321.424 3.458 20 5 DGBDRO O=[N+]([O-])c1c(NCC[NH+]2CCCCCC2)ccc2ncccc21 ZINC000321193014 534878994 /nfs/dbraw/zinc/87/89/94/534878994.db2.gz WABWPFKUBXVVAJ-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO CC(C)([NH2+]CCCO[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000429257817 527292142 /nfs/dbraw/zinc/29/21/42/527292142.db2.gz OWAQCHPFFLWUBM-MRXNPFEDSA-N 1 0 322.405 3.353 20 5 DGBDRO CC(=O)c1ccc(NCC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000302183913 527316197 /nfs/dbraw/zinc/31/61/97/527316197.db2.gz SQHRBROGPLUIFS-CYBMUJFWSA-N 1 0 319.405 3.474 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414514230 527502364 /nfs/dbraw/zinc/50/23/64/527502364.db2.gz LKJPEWCPECUKGH-DKYQQCHYSA-N 1 0 304.390 3.401 20 5 DGBDRO CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413025029 528114535 /nfs/dbraw/zinc/11/45/35/528114535.db2.gz PEWOTWQDILLCAZ-UHFFFAOYSA-N 1 0 320.315 3.152 20 5 DGBDRO CC1=CC[N@H+](CCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000302140476 528119188 /nfs/dbraw/zinc/11/91/88/528119188.db2.gz GSJSDRUINWWOSW-UHFFFAOYSA-N 1 0 312.373 3.207 20 5 DGBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443967915 528179858 /nfs/dbraw/zinc/17/98/58/528179858.db2.gz ZZFPOEZGECDHAA-LBPRGKRZSA-N 1 0 322.409 3.063 20 5 DGBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178095719 528234142 /nfs/dbraw/zinc/23/41/42/528234142.db2.gz QAEJCUIWVZOKKK-WFASDCNBSA-N 1 0 321.421 3.329 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413077044 528254538 /nfs/dbraw/zinc/25/45/38/528254538.db2.gz URWAROJCZIHRQR-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)C1 ZINC000301481675 528260322 /nfs/dbraw/zinc/26/03/22/528260322.db2.gz SOZVXTOFARNPLR-GFCCVEGCSA-N 1 0 311.813 3.477 20 5 DGBDRO CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000301263228 528330780 /nfs/dbraw/zinc/33/07/80/528330780.db2.gz GSJOKVJFLHNEER-JTQLQIEISA-N 1 0 300.790 3.031 20 5 DGBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430236833 528526829 /nfs/dbraw/zinc/52/68/29/528526829.db2.gz BYLDHZOAKIILOR-QGZVFWFLSA-N 1 0 322.405 3.385 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000296639350 528594600 /nfs/dbraw/zinc/59/46/00/528594600.db2.gz XYBGFDSPVJAXMF-QWHCGFSZSA-N 1 0 310.394 3.053 20 5 DGBDRO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](C)CO ZINC000292854840 528770035 /nfs/dbraw/zinc/77/00/35/528770035.db2.gz UPDLQZBHBFVCGZ-GFCCVEGCSA-N 1 0 304.346 3.058 20 5 DGBDRO CC(C)[C@@]1(CO)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000292966106 528894610 /nfs/dbraw/zinc/89/46/10/528894610.db2.gz GDAYVSXCZOQASA-YOEHRIQHSA-N 1 0 306.406 3.386 20 5 DGBDRO CC1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000172915785 528938409 /nfs/dbraw/zinc/93/84/09/528938409.db2.gz HPWDTHKRORQIHD-UHFFFAOYSA-N 1 0 320.389 3.473 20 5 DGBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000314758522 528989075 /nfs/dbraw/zinc/98/90/75/528989075.db2.gz QQLKMRUTXBEACC-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO CCC[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000315263806 529020955 /nfs/dbraw/zinc/02/09/55/529020955.db2.gz DVZFVEUZDBOMIF-WMLDXEAASA-N 1 0 303.406 3.262 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000316640450 529058317 /nfs/dbraw/zinc/05/83/17/529058317.db2.gz OLXNGSNNKYJPFQ-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC1(C)C ZINC000419308944 529154770 /nfs/dbraw/zinc/15/47/70/529154770.db2.gz BCVCUOSUSNZPST-UONOGXRCSA-N 1 0 319.405 3.256 20 5 DGBDRO CC[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000441395067 529217111 /nfs/dbraw/zinc/21/71/11/529217111.db2.gz NCOJGNWPMBOBCY-AWEZNQCLSA-N 1 0 322.405 3.494 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429768187 529322372 /nfs/dbraw/zinc/32/23/72/529322372.db2.gz ADTSEEKJRLXNEL-YWPYICTPSA-N 1 0 305.378 3.090 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449246595 535270265 /nfs/dbraw/zinc/27/02/65/535270265.db2.gz DLOJTBJXJYKPGM-KMFMINBZSA-N 1 0 306.406 3.319 20 5 DGBDRO CCC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])COC1 ZINC000449598959 535296087 /nfs/dbraw/zinc/29/60/87/535296087.db2.gz JRDHUPHGMJEPEE-GDBMZVCRSA-N 1 0 318.417 3.322 20 5 DGBDRO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000470174693 535765015 /nfs/dbraw/zinc/76/50/15/535765015.db2.gz MRXWRHQUXQVIFQ-OOXMNIKJSA-N 1 0 304.390 3.499 20 5 DGBDRO CCn1nccc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505879 535867670 /nfs/dbraw/zinc/86/76/70/535867670.db2.gz YEWHHZFOVYVFDB-OAHLLOKOSA-N 1 0 314.389 3.191 20 5 DGBDRO COC[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470171633 536521545 /nfs/dbraw/zinc/52/15/45/536521545.db2.gz MQTPJASTMXHSBC-MBSJSRAVSA-N 1 0 304.390 3.357 20 5 DGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468617864 536622332 /nfs/dbraw/zinc/62/23/32/536622332.db2.gz CFYOWGVVRAVARM-ZMRGCFQXSA-N 1 0 304.390 3.403 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000731210061 574545308 /nfs/dbraw/zinc/54/53/08/574545308.db2.gz LXAXCXZUMBVJCP-LLVKDONJSA-N 1 0 320.418 3.171 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000731679306 574556767 /nfs/dbraw/zinc/55/67/67/574556767.db2.gz ZQPWELCHZYNROG-INIZCTEOSA-N 1 0 312.325 3.164 20 5 DGBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000731678713 574556785 /nfs/dbraw/zinc/55/67/85/574556785.db2.gz OJSBERFAYPVGBT-XFBWCDHKSA-N 1 0 316.357 3.134 20 5 DGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000197281091 574603764 /nfs/dbraw/zinc/60/37/64/574603764.db2.gz ANEMODDCDUAMTF-UHFFFAOYSA-N 1 0 300.358 3.496 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000734846292 574678683 /nfs/dbraw/zinc/67/86/83/574678683.db2.gz PWRTWFWRCAIJFB-YOEHRIQHSA-N 1 0 314.385 3.157 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735494180 574704131 /nfs/dbraw/zinc/70/41/31/574704131.db2.gz VOQAYUUWDCJAHB-ZDUSSCGKSA-N 1 0 311.813 3.211 20 5 DGBDRO CC(C)C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000742172859 574847408 /nfs/dbraw/zinc/84/74/08/574847408.db2.gz QENNFNBAGDFDNQ-UHFFFAOYSA-N 1 0 302.378 3.270 20 5 DGBDRO CN1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000729682621 575260397 /nfs/dbraw/zinc/26/03/97/575260397.db2.gz WYBKVZBEHVCXMN-GFCCVEGCSA-N 1 0 317.414 3.117 20 5 DGBDRO CC[C@@H](C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000744361475 575338752 /nfs/dbraw/zinc/33/87/52/575338752.db2.gz MCBBWRWECNRQJQ-DOMZBBRYSA-N 1 0 308.378 3.319 20 5 DGBDRO CC(C)C[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000744436932 575342099 /nfs/dbraw/zinc/34/20/99/575342099.db2.gz BXUPEBZPHOJHBS-CYBMUJFWSA-N 1 0 302.378 3.270 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000746666658 575467592 /nfs/dbraw/zinc/46/75/92/575467592.db2.gz SMYJDGSTSOMRNS-OAHLLOKOSA-N 1 0 323.824 3.308 20 5 DGBDRO CC[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000749637575 575670618 /nfs/dbraw/zinc/67/06/18/575670618.db2.gz BRWXUURESIORHI-KDOFPFPSSA-N 1 0 314.385 3.412 20 5 DGBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000749670254 575671129 /nfs/dbraw/zinc/67/11/29/575671129.db2.gz KABYIDTVADFBQS-KRWDZBQOSA-N 1 0 314.385 3.196 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(Cl)s2)c1 ZINC000749670267 575671164 /nfs/dbraw/zinc/67/11/64/575671164.db2.gz KBRXQCUNZJWPSC-LBPRGKRZSA-N 1 0 312.778 3.133 20 5 DGBDRO C[C@@H](ON=C(N)C[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000749791238 575679009 /nfs/dbraw/zinc/67/90/09/575679009.db2.gz MYOUPOBFKUMIBG-CYBMUJFWSA-N 1 0 320.393 3.030 20 5 DGBDRO CC[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749956589 575691982 /nfs/dbraw/zinc/69/19/82/575691982.db2.gz XIDBYQTZZGEXCX-ZDUSSCGKSA-N 1 0 317.393 3.118 20 5 DGBDRO CC[C@]1(C)CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749960234 575693030 /nfs/dbraw/zinc/69/30/30/575693030.db2.gz NSMOQHFVVKQWHB-MRXNPFEDSA-N 1 0 317.393 3.118 20 5 DGBDRO Cc1ccc(C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000750039693 575699236 /nfs/dbraw/zinc/69/92/36/575699236.db2.gz IYWMYTYMOMHBJO-QGZVFWFLSA-N 1 0 316.357 3.194 20 5 DGBDRO CC(C)[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750075561 575702149 /nfs/dbraw/zinc/70/21/49/575702149.db2.gz KQCIRMJIJVIXLF-RHSMWYFYSA-N 1 0 306.406 3.386 20 5 DGBDRO CC(C)CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750094437 575703354 /nfs/dbraw/zinc/70/33/54/575703354.db2.gz NVLXOKRRHFZJED-KRWDZBQOSA-N 1 0 306.406 3.386 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000751111353 575771004 /nfs/dbraw/zinc/77/10/04/575771004.db2.gz SHGZQVFDUFCZRL-UHFFFAOYSA-N 1 0 304.394 3.199 20 5 DGBDRO C[C@@H]1C[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@H]1C ZINC000751932257 575812582 /nfs/dbraw/zinc/81/25/82/575812582.db2.gz ZIDBYVMEZWZCKD-NXEZZACHSA-N 1 0 307.375 3.417 20 5 DGBDRO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000751991331 575816958 /nfs/dbraw/zinc/81/69/58/575816958.db2.gz QYVLGZQAIVIZRP-CYBMUJFWSA-N 1 0 306.387 3.096 20 5 DGBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000752074876 575821086 /nfs/dbraw/zinc/82/10/86/575821086.db2.gz JAAQRYQMUOTFNT-GOEBONIOSA-N 1 0 310.369 3.369 20 5 DGBDRO CCC[N@H+](CC)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000747228048 576020548 /nfs/dbraw/zinc/02/05/48/576020548.db2.gz TUFAKWBDYLLFRU-UHFFFAOYSA-N 1 0 308.407 3.348 20 5 DGBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000728572204 576189131 /nfs/dbraw/zinc/18/91/31/576189131.db2.gz YPLUOPQHOGPSEY-CYBMUJFWSA-N 1 0 323.780 3.061 20 5 DGBDRO CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000917078468 620655691 /nfs/dbraw/zinc/65/56/91/620655691.db2.gz GSZIAWWEHAOCKG-UHFFFAOYSA-N 1 0 309.385 3.292 20 5 DGBDRO Cc1c(C[NH2+]CCOc2ccccc2F)cccc1[N+](=O)[O-] ZINC000917134341 620657804 /nfs/dbraw/zinc/65/78/04/620657804.db2.gz SRMPOHKYOSRIRZ-UHFFFAOYSA-N 1 0 304.321 3.211 20 5 DGBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000853121979 620671255 /nfs/dbraw/zinc/67/12/55/620671255.db2.gz JRLUMBRDQRNBPT-GUYCJALGSA-N 1 0 306.406 3.434 20 5 DGBDRO O=c1[nH]ccc(NCCCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000853231690 620680533 /nfs/dbraw/zinc/68/05/33/620680533.db2.gz RFXPPRWYARJSKL-UHFFFAOYSA-N 1 0 322.409 3.154 20 5 DGBDRO C[C@H]([N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C(C)(C)C ZINC000853489639 620701178 /nfs/dbraw/zinc/70/11/78/620701178.db2.gz GJBDAYCMUAWNOJ-LBPRGKRZSA-N 1 0 317.393 3.177 20 5 DGBDRO Cc1nn(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000853554897 620709528 /nfs/dbraw/zinc/70/95/28/620709528.db2.gz PFPSVILQFAEXOM-HNNXBMFYSA-N 1 0 306.410 3.268 20 5 DGBDRO Cc1nn(C[N@@H+](C)[C@@H](C)C2(C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121249426 617604770 /nfs/dbraw/zinc/60/47/70/617604770.db2.gz DZIRSHFCVASHCH-LBPRGKRZSA-N 1 0 302.378 3.331 20 5 DGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804811881 617674973 /nfs/dbraw/zinc/67/49/73/617674973.db2.gz BGTBEERUBMIWIU-WCQYABFASA-N 1 0 309.797 3.311 20 5 DGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1cccc(F)c1[N+](=O)[O-] ZINC000804840181 617699309 /nfs/dbraw/zinc/69/93/09/617699309.db2.gz BCXWKAGAZNTIBQ-UHFFFAOYSA-N 1 0 321.352 3.285 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000919721972 620763075 /nfs/dbraw/zinc/76/30/75/620763075.db2.gz IFBCTGXJOUFJFJ-JKIFEVAISA-N 1 0 303.406 3.436 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@H](C)CCc2ccco2)c1[N+](=O)[O-] ZINC000892416570 618060396 /nfs/dbraw/zinc/06/03/96/618060396.db2.gz ZFAMWKHFGKGMSD-LLVKDONJSA-N 1 0 320.345 3.013 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@H](C)Cc2cccs2)c1[N+](=O)[O-] ZINC000892521331 618097607 /nfs/dbraw/zinc/09/76/07/618097607.db2.gz QGHJBSYWYFBXGO-SNVBAGLBSA-N 1 0 322.386 3.091 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000892632581 618122317 /nfs/dbraw/zinc/12/23/17/618122317.db2.gz VXYTTXNXDAFQKO-LBPRGKRZSA-N 1 0 316.357 3.468 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(O)c(F)c1 ZINC000894390859 618304225 /nfs/dbraw/zinc/30/42/25/618304225.db2.gz LTZGSXXLWFBQRV-UHFFFAOYSA-N 1 0 304.321 3.114 20 5 DGBDRO COc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)nc1 ZINC000893091412 618421235 /nfs/dbraw/zinc/42/12/35/618421235.db2.gz BOGRFCDTOIJDGF-UHFFFAOYSA-N 1 0 315.373 3.111 20 5 DGBDRO COc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000893092345 618422095 /nfs/dbraw/zinc/42/20/95/618422095.db2.gz MHBWYFAMQPIBSB-UHFFFAOYSA-N 1 0 304.346 3.309 20 5 DGBDRO Cc1n[nH]c(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000894899924 618493831 /nfs/dbraw/zinc/49/38/31/618493831.db2.gz CNLIDYDIECLVEW-OAHLLOKOSA-N 1 0 314.389 3.314 20 5 DGBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000777008268 618532644 /nfs/dbraw/zinc/53/26/44/618532644.db2.gz FSWXSYYGEIOXAE-JOYOIKCWSA-N 1 0 306.284 3.131 20 5 DGBDRO C[NH+](C)CC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000895325335 618595422 /nfs/dbraw/zinc/59/54/22/618595422.db2.gz PUDZUAMJBIDJMJ-LLVKDONJSA-N 1 0 313.348 3.310 20 5 DGBDRO Cc1ccnc(N)c1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000894315329 618762538 /nfs/dbraw/zinc/76/25/38/618762538.db2.gz CZHFZZLNOAJFTI-LBPRGKRZSA-N 1 0 300.362 3.040 20 5 DGBDRO CC1([NH+]2CCCC2)CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000895525719 618794675 /nfs/dbraw/zinc/79/46/75/618794675.db2.gz CMIOFOVZPACZCJ-UHFFFAOYSA-N 1 0 310.423 3.260 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3C[C@@H]4CCCC[C@H]34)nc2c1 ZINC000895631480 618809698 /nfs/dbraw/zinc/80/96/98/618809698.db2.gz WCWVGFOZMFMZDA-WCFLWFBJSA-N 1 0 301.346 3.404 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(C)([NH+]2CCC2)CC1 ZINC000895672308 618816412 /nfs/dbraw/zinc/81/64/12/618816412.db2.gz ROXXEBMKWHENEG-UHFFFAOYSA-N 1 0 317.433 3.272 20 5 DGBDRO C[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOC2(CCC2)C1 ZINC000895821287 618835818 /nfs/dbraw/zinc/83/58/18/618835818.db2.gz JLTPBJINNMSROA-KRWDZBQOSA-N 1 0 318.417 3.466 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000896027171 618864991 /nfs/dbraw/zinc/86/49/91/618864991.db2.gz VCQASIQFHFOQFB-CYBMUJFWSA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1cnc(NC2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000896255164 618892663 /nfs/dbraw/zinc/89/26/63/618892663.db2.gz MZSNXKULZKKOFI-UHFFFAOYSA-N 1 0 304.394 3.117 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000896583784 618930261 /nfs/dbraw/zinc/93/02/61/618930261.db2.gz GSZOGLIJQJSKBW-CYBMUJFWSA-N 1 0 316.357 3.466 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cnn(C)c1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897459939 619129911 /nfs/dbraw/zinc/12/99/11/619129911.db2.gz PMKQSGLFUGTRMC-LBPRGKRZSA-N 1 0 314.389 3.099 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccnn1C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000897460728 619130126 /nfs/dbraw/zinc/13/01/26/619130126.db2.gz VHSGQURWFILEPD-ZDUSSCGKSA-N 1 0 314.389 3.410 20 5 DGBDRO Cc1ncc([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000897460753 619130275 /nfs/dbraw/zinc/13/02/75/619130275.db2.gz VWRALMXRZBMRAM-RYUDHWBXSA-N 1 0 314.389 3.456 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccnn1CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000897461592 619130393 /nfs/dbraw/zinc/13/03/93/619130393.db2.gz SJMJXUKAFRHZCQ-ZDUSSCGKSA-N 1 0 314.389 3.095 20 5 DGBDRO Cc1cccn2c(C[NH2+]C[C@H](C)c3ccccc3[N+](=O)[O-])cnc12 ZINC000897469410 619131656 /nfs/dbraw/zinc/13/16/56/619131656.db2.gz JUHKDIFWGHHRGN-AWEZNQCLSA-N 1 0 324.384 3.444 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897535850 619151226 /nfs/dbraw/zinc/15/12/26/619151226.db2.gz FXEDSEWJPSACHF-HFTRVMKXSA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@H]1CC2(CC([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CO1 ZINC000897774513 619179201 /nfs/dbraw/zinc/17/92/01/619179201.db2.gz RZWSEDSKZTWSMJ-KKJMOOEGSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CCC[C@H]43)CC2)cc1 ZINC000897955735 619198416 /nfs/dbraw/zinc/19/84/16/619198416.db2.gz YASPRPJWFPBZAF-FSPWUOQZSA-N 1 0 315.417 3.342 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897955988 619198632 /nfs/dbraw/zinc/19/86/32/619198632.db2.gz ZXHSDJDDZPJKCH-AVRGHOLYSA-N 1 0 317.389 3.090 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CC(CCO)C1 ZINC000898010780 619202072 /nfs/dbraw/zinc/20/20/72/619202072.db2.gz LIFQRIVJIOWIIQ-CPBWPMLKSA-N 1 0 318.417 3.057 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898065404 619210651 /nfs/dbraw/zinc/21/06/51/619210651.db2.gz IQOHZXUEVNWLEJ-AIESJDIKSA-N 1 0 314.385 3.157 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898065965 619210682 /nfs/dbraw/zinc/21/06/82/619210682.db2.gz QKXYGNIASVKMEK-SWLSCSKDSA-N 1 0 322.792 3.297 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000898204618 619221197 /nfs/dbraw/zinc/22/11/97/619221197.db2.gz XVJTXSXCZBFCTD-QILLFSRXSA-N 1 0 318.417 3.057 20 5 DGBDRO [NH3+]C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC000841039162 619241199 /nfs/dbraw/zinc/24/11/99/619241199.db2.gz DEKQSBSGDOSRFX-HNNXBMFYSA-N 1 0 311.813 3.245 20 5 DGBDRO C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000926964297 619253336 /nfs/dbraw/zinc/25/33/36/619253336.db2.gz RFEYJJIOYVRHEZ-MFKMUULPSA-N 1 0 319.327 3.128 20 5 DGBDRO Cc1ccc(NCC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])nc1 ZINC000927071155 619262124 /nfs/dbraw/zinc/26/21/24/619262124.db2.gz PQRMKJXMCFBWKI-LBPRGKRZSA-N 1 0 318.352 3.200 20 5 DGBDRO C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000901685442 619533575 /nfs/dbraw/zinc/53/35/75/619533575.db2.gz PBBGPROOLYFPOF-IVMMDQJWSA-N 1 0 302.374 3.205 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000902895380 619689701 /nfs/dbraw/zinc/68/97/01/619689701.db2.gz YMUADXCUTSHKOM-GKKOWQTJSA-N 1 0 302.374 3.059 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903103506 619717230 /nfs/dbraw/zinc/71/72/30/619717230.db2.gz JAJBRYUDZSTMGW-OLZOCXBDSA-N 1 0 310.394 3.053 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H](CCO)CC(C)C)cc([N+](=O)[O-])c1 ZINC000903104241 619717243 /nfs/dbraw/zinc/71/72/43/619717243.db2.gz GAFWYXIRFMBNSX-ZIAGYGMSSA-N 1 0 324.421 3.299 20 5 DGBDRO COc1cc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000903106324 619717963 /nfs/dbraw/zinc/71/79/63/619717963.db2.gz HDWZWWUHRBRHCZ-CFVMTHIKSA-N 1 0 321.421 3.127 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2ccc(C)nc2)cc([N+](=O)[O-])c1 ZINC000903094377 619719006 /nfs/dbraw/zinc/71/90/06/619719006.db2.gz YMULWPNQNZQWJY-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903094551 619719215 /nfs/dbraw/zinc/71/92/15/619719215.db2.gz ZZMKMAHCXUFAED-ZBEGNZNMSA-N 1 0 310.394 3.051 20 5 DGBDRO CCC(CC)(CO)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903127638 619722506 /nfs/dbraw/zinc/72/25/06/619722506.db2.gz JJIWXCBICHUSLD-GFCCVEGCSA-N 1 0 310.394 3.053 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC2(C)CCOCC2)cc([N+](=O)[O-])c1 ZINC000903127625 619722511 /nfs/dbraw/zinc/72/25/11/619722511.db2.gz ZCCCXXWUAVETFA-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)CCCO)cc([N+](=O)[O-])c1 ZINC000903112202 619723252 /nfs/dbraw/zinc/72/32/52/619723252.db2.gz FSFZOAVSZBJVCT-GFCCVEGCSA-N 1 0 310.394 3.053 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903131453 619723343 /nfs/dbraw/zinc/72/33/43/619723343.db2.gz SKXRYICZJXGVFM-GFQSEFKGSA-N 1 0 308.378 3.210 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903112196 619723353 /nfs/dbraw/zinc/72/33/53/619723353.db2.gz FRSNLINMODFBKL-JDFRZJQESA-N 1 0 322.405 3.458 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)cc([N+](=O)[O-])c1 ZINC000903139679 619724673 /nfs/dbraw/zinc/72/46/73/619724673.db2.gz QRDVHWZQVAWUOS-KOLCDFICSA-N 1 0 300.305 3.442 20 5 DGBDRO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000903158197 619726912 /nfs/dbraw/zinc/72/69/12/619726912.db2.gz FTIIKQGKDGNLIT-QWHCGFSZSA-N 1 0 318.295 3.271 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903147733 619728714 /nfs/dbraw/zinc/72/87/14/619728714.db2.gz RZPGGTFUVALNJT-AVGNSLFASA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000903147792 619728924 /nfs/dbraw/zinc/72/89/24/619728924.db2.gz NHWRHALNMMLLKK-WFASDCNBSA-N 1 0 308.378 3.213 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000903150770 619729203 /nfs/dbraw/zinc/72/92/03/619729203.db2.gz BSORDZFIZUYQSD-KHIZAZIESA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000903150769 619729293 /nfs/dbraw/zinc/72/92/93/619729293.db2.gz BSORDZFIZUYQSD-FABXCBLPSA-N 1 0 320.389 3.212 20 5 DGBDRO CCOCC(C)(C)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903171821 619729580 /nfs/dbraw/zinc/72/95/80/619729580.db2.gz JVEOGACKGORHFE-GFCCVEGCSA-N 1 0 310.394 3.317 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2scnc2C)cc([N+](=O)[O-])c1 ZINC000903179231 619731011 /nfs/dbraw/zinc/73/10/11/619731011.db2.gz OKUFCDSZZJQCHZ-SNVBAGLBSA-N 1 0 321.402 3.262 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903184441 619732001 /nfs/dbraw/zinc/73/20/01/619732001.db2.gz BVFTXQMYVKULNU-MNXVOIDGSA-N 1 0 308.378 3.068 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2OC)cc([N+](=O)[O-])c1 ZINC000903166645 619732516 /nfs/dbraw/zinc/73/25/16/619732516.db2.gz CTVQJJIFUOXKQD-RLCCDNCMSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccccn2)cc([N+](=O)[O-])c1 ZINC000903195752 619733986 /nfs/dbraw/zinc/73/39/86/619733986.db2.gz AAGVCPXSACITGE-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903194724 619734217 /nfs/dbraw/zinc/73/42/17/619734217.db2.gz QGGIPCPUKDGTSO-HWWQOWPSSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)cc([N+](=O)[O-])c1 ZINC000903205268 619738122 /nfs/dbraw/zinc/73/81/22/619738122.db2.gz GSUKBPPRVGAPTD-MWLCHTKSSA-N 1 0 300.305 3.299 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](CO)CCC(C)C)cc([N+](=O)[O-])c1 ZINC000903208126 619738771 /nfs/dbraw/zinc/73/87/71/619738771.db2.gz ZTOZDIALKDELNP-OCCSQVGLSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C2CCC3(COC3)CC2)cc([N+](=O)[O-])c1 ZINC000903222200 619741453 /nfs/dbraw/zinc/74/14/53/619741453.db2.gz YHIVSONKRQLONT-GFCCVEGCSA-N 1 0 320.389 3.213 20 5 DGBDRO CCn1ccnc1[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246352 619742204 /nfs/dbraw/zinc/74/22/04/619742204.db2.gz TVPGVCLEUKKWHJ-CHWSQXEVSA-N 1 0 302.378 3.266 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCCc2c1cnn2C)c1ccccc1[N+](=O)[O-] ZINC000903244795 619743370 /nfs/dbraw/zinc/74/33/70/619743370.db2.gz DKURPWVYVZUILP-DOMZBBRYSA-N 1 0 314.389 3.099 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCCc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC000903244878 619743720 /nfs/dbraw/zinc/74/37/20/619743720.db2.gz FWPNTXCRAGLOID-FZMZJTMJSA-N 1 0 300.362 3.089 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)CCC2 ZINC000903265824 619744685 /nfs/dbraw/zinc/74/46/85/619744685.db2.gz NXWQSMJUUBCDRG-BBWFWOEESA-N 1 0 302.374 3.129 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000903259820 619746848 /nfs/dbraw/zinc/74/68/48/619746848.db2.gz QPDIZHQUGCAEOR-ZQIUZPCESA-N 1 0 306.406 3.495 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC2(C3(O)CCC3)CC2)cc1[N+](=O)[O-] ZINC000903260917 619747071 /nfs/dbraw/zinc/74/70/71/619747071.db2.gz YGSGGKMBOBWHPV-CYBMUJFWSA-N 1 0 304.390 3.249 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000903278587 619751271 /nfs/dbraw/zinc/75/12/71/619751271.db2.gz GOBWCAVPOJXQPF-SDQNGVQFSA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CCO)C1CCCC1 ZINC000903296177 619752556 /nfs/dbraw/zinc/75/25/56/619752556.db2.gz HHXSBLFITLVHOT-MLGOLLRUSA-N 1 0 322.405 3.195 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3nonc3c1)CCC2 ZINC000903324625 619755980 /nfs/dbraw/zinc/75/59/80/619755980.db2.gz IHQYZPPMHYSIPX-HNNXBMFYSA-N 1 0 324.340 3.298 20 5 DGBDRO CO[C@@]1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCSC1 ZINC000903309171 619757048 /nfs/dbraw/zinc/75/70/48/619757048.db2.gz CCNAYUDNGDBMNW-SWLSCSKDSA-N 1 0 310.419 3.076 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc3nonc3c2)cccc1[N+](=O)[O-] ZINC000903326891 619761827 /nfs/dbraw/zinc/76/18/27/619761827.db2.gz VLFDSHPIDZMJFZ-LLVKDONJSA-N 1 0 312.329 3.290 20 5 DGBDRO C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cccc([N+](=O)[O-])c1 ZINC000903357637 619764706 /nfs/dbraw/zinc/76/47/06/619764706.db2.gz AOPPSAWRAJKHOQ-IVMMDQJWSA-N 1 0 302.374 3.205 20 5 DGBDRO O=C(CC[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000905437619 619999436 /nfs/dbraw/zinc/99/94/36/619999436.db2.gz MPARVKWZJDULIY-KCQAQPDRSA-N 1 0 317.389 3.092 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCSC3(CCC3)C2)c1 ZINC000905600275 620008605 /nfs/dbraw/zinc/00/86/05/620008605.db2.gz JCKPKBQDYXDWHU-ZFWWWQNUSA-N 1 0 322.430 3.036 20 5 DGBDRO Cc1cc(F)c(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000905616174 620012729 /nfs/dbraw/zinc/01/27/29/620012729.db2.gz HUCMWUGTBUNEFL-MRXNPFEDSA-N 1 0 322.311 3.005 20 5 DGBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000905643878 620016314 /nfs/dbraw/zinc/01/63/14/620016314.db2.gz NYYDWWIRAUDKCO-SJKOYZFVSA-N 1 0 318.348 3.161 20 5 DGBDRO CC(C)C[NH+](CC(C)C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000029885899 620464981 /nfs/dbraw/zinc/46/49/81/620464981.db2.gz MODWVNKPOBYOMC-UHFFFAOYSA-N 1 0 321.377 3.074 20 5 DGBDRO Cc1cnc(Cl)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000921685918 620933496 /nfs/dbraw/zinc/93/34/96/620933496.db2.gz BVEITRRBBJXSDS-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO Cc1noc2ncc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cc12 ZINC000922541216 621053392 /nfs/dbraw/zinc/05/33/92/621053392.db2.gz ORPGGAWLQUCECH-SNVBAGLBSA-N 1 0 312.329 3.290 20 5 DGBDRO CC[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000922599624 621063665 /nfs/dbraw/zinc/06/36/65/621063665.db2.gz OGHILQZRETVYHC-NSHDSACASA-N 1 0 314.407 3.114 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000922680009 621077003 /nfs/dbraw/zinc/07/70/03/621077003.db2.gz SLZUXCFYOFIHTA-CHWSQXEVSA-N 1 0 318.295 3.184 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC000922695793 621083068 /nfs/dbraw/zinc/08/30/68/621083068.db2.gz NVAAAFDZGGGBNA-STQMWFEESA-N 1 0 318.295 3.184 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000922696178 621083439 /nfs/dbraw/zinc/08/34/39/621083439.db2.gz JELCOZQSTCYFKT-IAGOWNOFSA-N 1 0 320.389 3.042 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922731636 621091959 /nfs/dbraw/zinc/09/19/59/621091959.db2.gz FSUXINZTURJPPZ-UHOOHFNOSA-N 1 0 300.280 3.396 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000922841853 621107112 /nfs/dbraw/zinc/10/71/12/621107112.db2.gz JNNVPAPMJZRUTG-AAEUAGOBSA-N 1 0 310.419 3.367 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000922898722 621128901 /nfs/dbraw/zinc/12/89/01/621128901.db2.gz ZUOUUDYYVSBCDA-RDJZCZTQSA-N 1 0 304.390 3.198 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCc1cc(C2CC2)n(C)n1 ZINC000922954755 621137111 /nfs/dbraw/zinc/13/71/11/621137111.db2.gz ITYXFLAFPVTMBG-UHFFFAOYSA-N 1 0 314.389 3.112 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2OCCc3ccccc32)cs1 ZINC000922960817 621139927 /nfs/dbraw/zinc/13/99/27/621139927.db2.gz ARRXKTBVQFSJCO-OAHLLOKOSA-N 1 0 318.398 3.450 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@]23C[C@H]2COC32CCC2)ccc1Cl ZINC000923032576 621149870 /nfs/dbraw/zinc/14/98/70/621149870.db2.gz GATAVMSCZIKEPL-XHDPSFHLSA-N 1 0 308.765 3.049 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858781599 621220736 /nfs/dbraw/zinc/22/07/36/621220736.db2.gz UCLHMJPMWFPBHN-OAHLLOKOSA-N 1 0 317.389 3.226 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000839181183 621343735 /nfs/dbraw/zinc/34/37/35/621343735.db2.gz HCYBBCGPWZURFV-ZIAGYGMSSA-N 1 0 310.781 3.295 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000839181409 621344049 /nfs/dbraw/zinc/34/40/49/621344049.db2.gz IARFYJBECXEWQD-ZIAGYGMSSA-N 1 0 310.781 3.295 20 5 DGBDRO C/C=C/C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860183110 621378637 /nfs/dbraw/zinc/37/86/37/621378637.db2.gz GHIRGEAQJGUFEA-YXQAPJRESA-N 1 0 304.390 3.306 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000754324577 621502973 /nfs/dbraw/zinc/50/29/73/621502973.db2.gz LGSHWBQFOVBUHW-UONOGXRCSA-N 1 0 321.402 3.134 20 5 DGBDRO CC[N@H+](CCNc1cccc(F)c1[N+](=O)[O-])CCC(F)(F)F ZINC000755041434 621548496 /nfs/dbraw/zinc/54/84/96/621548496.db2.gz OTXPLYYWHKUOJM-UHFFFAOYSA-N 1 0 323.290 3.420 20 5 DGBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862539090 621598435 /nfs/dbraw/zinc/59/84/35/621598435.db2.gz HSRTYZGZHLMIIZ-UHFFFAOYSA-N 1 0 300.786 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC(C2CCC2)C2CCC2)cc1 ZINC000863563868 621683921 /nfs/dbraw/zinc/68/39/21/621683921.db2.gz PXYOMVHBMSRZSB-SFHVURJKSA-N 1 0 318.417 3.434 20 5 DGBDRO C[C@H]([NH2+]CC[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000839544998 621693689 /nfs/dbraw/zinc/69/36/89/621693689.db2.gz ZTBCRBWCXIUHDZ-SUMWQHHRSA-N 1 0 300.358 3.369 20 5 DGBDRO C[C@H]([NH3+])CN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000863651109 621693913 /nfs/dbraw/zinc/69/39/13/621693913.db2.gz AWLYUAAAEUPNNK-NSHDSACASA-N 1 0 305.403 3.102 20 5 DGBDRO CCC[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000757615488 621728543 /nfs/dbraw/zinc/72/85/43/621728543.db2.gz RXSNIKNEOHPNFU-ZDUSSCGKSA-N 1 0 302.378 3.414 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000757864956 621743825 /nfs/dbraw/zinc/74/38/25/621743825.db2.gz CVCOMRCSUYQZDW-RBSFLKMASA-N 1 0 324.471 3.372 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000864359357 621760505 /nfs/dbraw/zinc/76/05/05/621760505.db2.gz OXCKJGLPFRSSGK-VXGBXAGGSA-N 1 0 311.332 3.111 20 5 DGBDRO CCOc1cc(F)cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000865419652 621916620 /nfs/dbraw/zinc/91/66/20/621916620.db2.gz WNACRTUAZUWAOV-UHFFFAOYSA-N 1 0 304.321 3.422 20 5 DGBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865489144 621934402 /nfs/dbraw/zinc/93/44/02/621934402.db2.gz VYDZTSCNVYKMHW-NSHDSACASA-N 1 0 313.348 3.310 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865571772 621954053 /nfs/dbraw/zinc/95/40/53/621954053.db2.gz VRNZIZNDBIEUFS-LLVKDONJSA-N 1 0 313.348 3.310 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865571774 621954116 /nfs/dbraw/zinc/95/41/16/621954116.db2.gz VRNZIZNDBIEUFS-NSHDSACASA-N 1 0 313.348 3.310 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000865784545 621995076 /nfs/dbraw/zinc/99/50/76/621995076.db2.gz FGUAGIKXZKTHLN-WFASDCNBSA-N 1 0 324.808 3.401 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2cnc(C(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000865786743 621995429 /nfs/dbraw/zinc/99/54/29/621995429.db2.gz AJFBHBSQSKQGAA-UHFFFAOYSA-N 1 0 314.389 3.281 20 5 DGBDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000865872558 622012624 /nfs/dbraw/zinc/01/26/24/622012624.db2.gz MGSMCGKJQLJSRB-OLZOCXBDSA-N 1 0 318.373 3.494 20 5 DGBDRO CC(C)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761504933 622013132 /nfs/dbraw/zinc/01/31/32/622013132.db2.gz AZVIZGPSNYKNFR-UHFFFAOYSA-N 1 0 311.813 3.022 20 5 DGBDRO Cc1cccc(NCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000761531208 622014610 /nfs/dbraw/zinc/01/46/10/622014610.db2.gz FIQAULYTEKOUPF-UHFFFAOYSA-N 1 0 320.780 3.153 20 5 DGBDRO CCC1([NH+]2CCCC2)CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000866024964 622034545 /nfs/dbraw/zinc/03/45/45/622034545.db2.gz ZLOHKUZGTYVMPZ-UHFFFAOYSA-N 1 0 318.421 3.022 20 5 DGBDRO CCC1([NH+](C)C)CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000866059119 622039634 /nfs/dbraw/zinc/03/96/34/622039634.db2.gz KETRDYYEDRXOAJ-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO C[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CCC1(C)C ZINC000866113271 622048062 /nfs/dbraw/zinc/04/80/62/622048062.db2.gz XSLFKXFXUNWTEU-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[N@@H+]1CC[C@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866206240 622066170 /nfs/dbraw/zinc/06/61/70/622066170.db2.gz CSQIRPRLJAKIEP-RYUDHWBXSA-N 1 0 311.332 3.063 20 5 DGBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)CC[C@H]21 ZINC000866209817 622066930 /nfs/dbraw/zinc/06/69/30/622066930.db2.gz VVBZOYWYIKJWBY-GXFFZTMASA-N 1 0 311.332 3.063 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)CCc2cccnc2)cc1[N+](=O)[O-] ZINC000866250138 622075816 /nfs/dbraw/zinc/07/58/16/622075816.db2.gz VDQNBICASQGZDI-CYBMUJFWSA-N 1 0 315.373 3.109 20 5 DGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866275655 622082873 /nfs/dbraw/zinc/08/28/73/622082873.db2.gz DAABHNRHVHGMQF-SLEUVZQESA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCNc1ccccc1 ZINC000866282858 622084835 /nfs/dbraw/zinc/08/48/35/622084835.db2.gz RSFGEMOKJJBGLF-CYBMUJFWSA-N 1 0 317.364 3.367 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000866335991 622096182 /nfs/dbraw/zinc/09/61/82/622096182.db2.gz GQTGLXNBSDSKHJ-MBNYWOFBSA-N 1 0 310.369 3.070 20 5 DGBDRO CO[C@@](C)(C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866365599 622104011 /nfs/dbraw/zinc/10/40/11/622104011.db2.gz UFJADVSFZBEROS-ZBEGNZNMSA-N 1 0 310.369 3.070 20 5 DGBDRO CCc1nc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])co1 ZINC000866371418 622105226 /nfs/dbraw/zinc/10/52/26/622105226.db2.gz LRRZSTAXFBRAAG-JTQLQIEISA-N 1 0 307.325 3.005 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000866375158 622106248 /nfs/dbraw/zinc/10/62/48/622106248.db2.gz LIUPEDQBMWSJDT-PJODQICGSA-N 1 0 312.385 3.050 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2CCCC[C@@H]2F)n1 ZINC000866450428 622121138 /nfs/dbraw/zinc/12/11/38/622121138.db2.gz UBPIDGALQUXIJG-DGAVXFQQSA-N 1 0 310.373 3.145 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccnc(F)c1)C1CC1 ZINC000866474708 622123743 /nfs/dbraw/zinc/12/37/43/622123743.db2.gz ZYXQEDMVUCDXBI-OAHLLOKOSA-N 1 0 315.348 3.240 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000866510827 622129904 /nfs/dbraw/zinc/12/99/04/622129904.db2.gz QFTDFKDJVBCKNH-XGWLTEMNSA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866512714 622130279 /nfs/dbraw/zinc/13/02/79/622130279.db2.gz NYIYPJAYPOQDHH-KHIZAZIESA-N 1 0 319.405 3.033 20 5 DGBDRO C[C@H](CCC(C)(C)C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945300 622196084 /nfs/dbraw/zinc/19/60/84/622196084.db2.gz TUGNGNWORUVCBU-PXAZEXFGSA-N 1 0 321.421 3.100 20 5 DGBDRO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000867989704 622201441 /nfs/dbraw/zinc/20/14/41/622201441.db2.gz OILVYUYHLXIITN-CYBMUJFWSA-N 1 0 317.370 3.095 20 5 DGBDRO Cc1nn(C[N@H+]2CCCCC[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765017018 622239986 /nfs/dbraw/zinc/23/99/86/622239986.db2.gz XKUSTLZJRSMJRV-LBPRGKRZSA-N 1 0 302.378 3.475 20 5 DGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765058719 622243215 /nfs/dbraw/zinc/24/32/15/622243215.db2.gz XIQNDJXCTJBZNQ-WCQYABFASA-N 1 0 302.378 3.331 20 5 DGBDRO CCC1(CC)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000766990119 622366767 /nfs/dbraw/zinc/36/67/67/622366767.db2.gz GOEKCRHJVKERIX-OAHLLOKOSA-N 1 0 324.446 3.236 20 5 DGBDRO CCC1(CC)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000766991068 622366902 /nfs/dbraw/zinc/36/69/02/622366902.db2.gz UCOMHURQKDTMBC-HNNXBMFYSA-N 1 0 324.446 3.236 20 5 DGBDRO CC(=O)c1c(NC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000881825570 625570967 /nfs/dbraw/zinc/57/09/67/625570967.db2.gz IZFGCPCOLGRAPQ-UHFFFAOYSA-N 1 0 317.389 3.084 20 5 DGBDRO OC[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000769397595 622524337 /nfs/dbraw/zinc/52/43/37/622524337.db2.gz PHWJNRPGFPCZBW-KRWDZBQOSA-N 1 0 307.393 3.186 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000770145581 622606480 /nfs/dbraw/zinc/60/64/80/622606480.db2.gz LLQSRHXXVJTMPC-GFCCVEGCSA-N 1 0 311.813 3.477 20 5 DGBDRO CCC[NH+]1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872017474 622753349 /nfs/dbraw/zinc/75/33/49/622753349.db2.gz ADPAVWGULVKSIB-GFCCVEGCSA-N 1 0 309.385 3.259 20 5 DGBDRO C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024778 622758148 /nfs/dbraw/zinc/75/81/48/622758148.db2.gz DVNQBTKQFATAKY-QWHCGFSZSA-N 1 0 309.385 3.116 20 5 DGBDRO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025218 622758756 /nfs/dbraw/zinc/75/87/56/622758756.db2.gz IKUVZCXBDHZCGR-AVGNSLFASA-N 1 0 307.369 3.011 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C1CC1)[NH+](C)C ZINC000872025622 622758965 /nfs/dbraw/zinc/75/89/65/622758965.db2.gz QENHOPVRSHPAJT-IAQYHMDHSA-N 1 0 323.462 3.308 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031324 622763053 /nfs/dbraw/zinc/76/30/53/622763053.db2.gz IWPBXCKEWFUFNJ-XHDPSFHLSA-N 1 0 310.369 3.326 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCn1ccnc1C ZINC000872030769 622763311 /nfs/dbraw/zinc/76/33/11/622763311.db2.gz JGFNQHHPHWVGTE-LLVKDONJSA-N 1 0 320.418 3.172 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000872033440 622765130 /nfs/dbraw/zinc/76/51/30/622765130.db2.gz HHSMTKYNQSJPDD-VXGBXAGGSA-N 1 0 321.446 3.204 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000872037524 622766352 /nfs/dbraw/zinc/76/63/52/622766352.db2.gz CVBJIOQNSPZMLN-RISCZKNCSA-N 1 0 312.435 3.374 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000872037671 622767531 /nfs/dbraw/zinc/76/75/31/622767531.db2.gz DOWYLZSLNPONGP-AVGNSLFASA-N 1 0 323.462 3.450 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000872037673 622767804 /nfs/dbraw/zinc/76/78/04/622767804.db2.gz DOWYLZSLNPONGP-RWMBFGLXSA-N 1 0 323.462 3.450 20 5 DGBDRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872039555 622768938 /nfs/dbraw/zinc/76/89/38/622768938.db2.gz GVEQMPOBNIDKAV-HZUKXOBISA-N 1 0 310.369 3.326 20 5 DGBDRO C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042049 622770523 /nfs/dbraw/zinc/77/05/23/622770523.db2.gz MIJZDQNBAOUOLA-SDDRHHMPSA-N 1 0 307.369 3.010 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052068 622777131 /nfs/dbraw/zinc/77/71/31/622777131.db2.gz AZDCUVDBTBQXRM-RYUDHWBXSA-N 1 0 324.352 3.070 20 5 DGBDRO CO[C@@H](CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F ZINC000872064964 622786091 /nfs/dbraw/zinc/78/60/91/622786091.db2.gz PZMBXVLHXWOBDI-KWQFWETISA-N 1 0 324.274 3.352 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000872083029 622795240 /nfs/dbraw/zinc/79/52/40/622795240.db2.gz GDIQFXAWIIMCCS-IMJCEVDSSA-N 1 0 308.403 3.287 20 5 DGBDRO C[C@H](N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872085628 622797030 /nfs/dbraw/zinc/79/70/30/622797030.db2.gz QCUKDLURFHHHPR-QEJZJMRPSA-N 1 0 321.396 3.401 20 5 DGBDRO C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087888 622797976 /nfs/dbraw/zinc/79/79/76/622797976.db2.gz LQOFNDHOBAAIAR-STQMWFEESA-N 1 0 309.385 3.116 20 5 DGBDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872090843 622799934 /nfs/dbraw/zinc/79/99/34/622799934.db2.gz TVOWTTWJSJODQI-WZRBSPASSA-N 1 0 310.419 3.392 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872092899 622801186 /nfs/dbraw/zinc/80/11/86/622801186.db2.gz RKSHEIXOVKUTMY-ZKYQVNSYSA-N 1 0 310.369 3.324 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872108217 622810695 /nfs/dbraw/zinc/81/06/95/622810695.db2.gz RWUPRDRSGNYWSH-LMWOUKEDSA-N 1 0 320.389 3.212 20 5 DGBDRO CCC[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000872113388 622814771 /nfs/dbraw/zinc/81/47/71/622814771.db2.gz PAVCMZUTEHEDDA-CZUORRHYSA-N 1 0 320.389 3.369 20 5 DGBDRO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000872132035 622825162 /nfs/dbraw/zinc/82/51/62/622825162.db2.gz BJEONKIGUIAISY-JSGCOSHPSA-N 1 0 314.389 3.365 20 5 DGBDRO CC1(C)C[NH2+]CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000872251819 622867072 /nfs/dbraw/zinc/86/70/72/622867072.db2.gz NQYVCJGUDVWUOE-LBPRGKRZSA-N 1 0 311.813 3.116 20 5 DGBDRO Cc1cc(C)c(OC(=O)c2ccc3c[nH+]cn3c2)c([N+](=O)[O-])c1 ZINC000790152256 625609274 /nfs/dbraw/zinc/60/92/74/625609274.db2.gz YOIMNFKJPLJSQS-UHFFFAOYSA-N 1 0 311.297 3.079 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](c2ccsc2)N(C)C)cccc1[N+](=O)[O-] ZINC000873008319 623016230 /nfs/dbraw/zinc/01/62/30/623016230.db2.gz JHLFXCCODUYELZ-MRXNPFEDSA-N 1 0 319.430 3.357 20 5 DGBDRO Cc1c(CNC2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000873024929 623020710 /nfs/dbraw/zinc/02/07/10/623020710.db2.gz FDLULEKBEMCTGW-UHFFFAOYSA-N 1 0 303.406 3.010 20 5 DGBDRO Cc1c(C[NH2+]CCCCNc2ccccn2)cccc1[N+](=O)[O-] ZINC000873038659 623022767 /nfs/dbraw/zinc/02/27/67/623022767.db2.gz UELNAMWGQPHRAT-UHFFFAOYSA-N 1 0 314.389 3.280 20 5 DGBDRO CSc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccn1 ZINC000873100058 623035637 /nfs/dbraw/zinc/03/56/37/623035637.db2.gz JGMIFISDOFWBNN-UHFFFAOYSA-N 1 0 303.387 3.310 20 5 DGBDRO CCCCn1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)n1 ZINC000873100614 623037199 /nfs/dbraw/zinc/03/71/99/623037199.db2.gz YYYCINNHVCMOTM-UHFFFAOYSA-N 1 0 316.405 3.498 20 5 DGBDRO Cc1c(CNCc2noc3c2CCCC3)cccc1[N+](=O)[O-] ZINC000873127555 623041791 /nfs/dbraw/zinc/04/17/91/623041791.db2.gz TUOHPVXJWWJOCD-UHFFFAOYSA-N 1 0 301.346 3.060 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873155605 623053923 /nfs/dbraw/zinc/05/39/23/623053923.db2.gz GVQLPQPJZRFYPI-ISTRZQFTSA-N 1 0 320.389 3.041 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]Cc2cc(N)cc(F)c2)cccc1[N+](=O)[O-] ZINC000873287372 623103640 /nfs/dbraw/zinc/10/36/40/623103640.db2.gz DFIQVVLWRMNZQV-LLVKDONJSA-N 1 0 303.337 3.475 20 5 DGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000774618005 623166272 /nfs/dbraw/zinc/16/62/72/623166272.db2.gz HHMQVRVOXNQNRJ-ABAIWWIYSA-N 1 0 302.378 3.331 20 5 DGBDRO C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@H]1C ZINC000774637189 623168610 /nfs/dbraw/zinc/16/86/10/623168610.db2.gz MVOLMZUNUFYBLS-UWVGGRQHSA-N 1 0 308.769 3.286 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2C3CCCC2CCC3)c([N+](=O)[O-])c1 ZINC000774909616 623207552 /nfs/dbraw/zinc/20/75/52/623207552.db2.gz SKYJWOCFLDRUGQ-UHFFFAOYSA-N 1 0 305.334 3.410 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000775385069 623263618 /nfs/dbraw/zinc/26/36/18/623263618.db2.gz ILYSYAIVCYROCE-RBSFLKMASA-N 1 0 324.471 3.107 20 5 DGBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274395 623405225 /nfs/dbraw/zinc/40/52/25/623405225.db2.gz HJCLVGVBSYAAOL-PXAZEXFGSA-N 1 0 318.348 3.460 20 5 DGBDRO CC[N@@H+](Cc1cccs1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271350 623405386 /nfs/dbraw/zinc/40/53/86/623405386.db2.gz LGBUDXNGLOMXAR-HNNXBMFYSA-N 1 0 306.387 3.212 20 5 DGBDRO Cc1ccc(C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000776578217 623442443 /nfs/dbraw/zinc/44/24/43/623442443.db2.gz DBARDGJAPQDPPQ-QGZVFWFLSA-N 1 0 316.357 3.194 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCc3sccc3C2)cc1 ZINC000776583332 623442860 /nfs/dbraw/zinc/44/28/60/623442860.db2.gz ZYZFEDPBCDVUMG-HNNXBMFYSA-N 1 0 318.398 3.138 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](C2CC2)C2CCCCC2)cc1 ZINC000776579744 623442980 /nfs/dbraw/zinc/44/29/80/623442980.db2.gz PHYGZDNDPKNMLH-KRWDZBQOSA-N 1 0 304.390 3.425 20 5 DGBDRO CC(C)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584297 623443221 /nfs/dbraw/zinc/44/32/21/623443221.db2.gz KJMOSKXPLBIJJO-YOEHRIQHSA-N 1 0 306.406 3.386 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000776590741 623445456 /nfs/dbraw/zinc/44/54/56/623445456.db2.gz FWENHYWPZFONFB-IRXDYDNUSA-N 1 0 316.332 3.214 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000776883672 623473681 /nfs/dbraw/zinc/47/36/81/623473681.db2.gz PGRAALPMRIFCQR-NWDGAFQWSA-N 1 0 305.378 3.090 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCOC2CCC2)cc1[N+](=O)[O-] ZINC000777122890 623498412 /nfs/dbraw/zinc/49/84/12/623498412.db2.gz ZYBDYQGCNYKZJL-GFCCVEGCSA-N 1 0 308.378 3.213 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956372 623590129 /nfs/dbraw/zinc/59/01/29/623590129.db2.gz GVTSPYLFLOPOFT-QWHCGFSZSA-N 1 0 300.362 3.146 20 5 DGBDRO CC(C)C1(C)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778220003 623627909 /nfs/dbraw/zinc/62/79/09/623627909.db2.gz UGUXZAHNNHMKCI-MRXNPFEDSA-N 1 0 306.406 3.386 20 5 DGBDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000876942376 623750484 /nfs/dbraw/zinc/75/04/84/623750484.db2.gz XRHGEOFZQNOZCX-QKVFXAPYSA-N 1 0 314.322 3.407 20 5 DGBDRO CCC[C@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877007233 623765227 /nfs/dbraw/zinc/76/52/27/623765227.db2.gz IDJHCBRRNGACKI-WLIAPVHPSA-N 1 0 306.410 3.443 20 5 DGBDRO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000877020431 623767488 /nfs/dbraw/zinc/76/74/88/623767488.db2.gz TULNONUBWYRFRO-VCANKDNSSA-N 1 0 318.352 3.027 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[C@H]4CCC[C@@H]4C3)C2)c1 ZINC000877042731 623774565 /nfs/dbraw/zinc/77/45/65/623774565.db2.gz VRHVXOOQKRVAEN-SFHDSZBYSA-N 1 0 304.394 3.053 20 5 DGBDRO C[C@@H](CC1CCCCC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877484023 623905557 /nfs/dbraw/zinc/90/55/57/623905557.db2.gz TVCXTMKDYXFAHK-GRTSSRMGSA-N 1 0 306.410 3.443 20 5 DGBDRO CC[C@H]1CCCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877558329 623941149 /nfs/dbraw/zinc/94/11/49/623941149.db2.gz DCYAJHGXIHYUNB-HESLUPGFSA-N 1 0 306.410 3.301 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCC[C@H](C)C1 ZINC000877576027 623949861 /nfs/dbraw/zinc/94/98/61/623949861.db2.gz HOSLSQJHNTUHIR-XDYZINJXSA-N 1 0 306.410 3.299 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CC2CCC1CC2 ZINC000877617446 623964009 /nfs/dbraw/zinc/96/40/09/623964009.db2.gz WKDZRMIOPQKFPP-INGHREAQSA-N 1 0 318.421 3.299 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2C=CCC2)cc1Br ZINC000877623844 623967240 /nfs/dbraw/zinc/96/72/40/623967240.db2.gz BMIWZEMWYWALRF-ZETCQYMHSA-N 1 0 303.181 3.227 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2([C@H]3CCCCO3)CCC2)cc1 ZINC000877770896 624030567 /nfs/dbraw/zinc/03/05/67/624030567.db2.gz HRQPSBLGCRHFLY-MRXNPFEDSA-N 1 0 304.390 3.219 20 5 DGBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000877796541 624037259 /nfs/dbraw/zinc/03/72/59/624037259.db2.gz HRBISBPUGIWSLT-LBPRGKRZSA-N 1 0 312.797 3.231 20 5 DGBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000877796081 624037828 /nfs/dbraw/zinc/03/78/28/624037828.db2.gz HCSMYBRLZPNLDI-LBPRGKRZSA-N 1 0 312.797 3.231 20 5 DGBDRO CC(C)[NH+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000878340338 624248726 /nfs/dbraw/zinc/24/87/26/624248726.db2.gz QKHOQDSTVJYISZ-UHFFFAOYSA-N 1 0 304.350 3.264 20 5 DGBDRO C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000783306973 624336655 /nfs/dbraw/zinc/33/66/55/624336655.db2.gz SBFXODCRXGKARD-ZFWWWQNUSA-N 1 0 303.406 3.342 20 5 DGBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000878718080 624346886 /nfs/dbraw/zinc/34/68/86/624346886.db2.gz OKUSRJQKAFNOSO-UTUOFQBUSA-N 1 0 316.361 3.121 20 5 DGBDRO Cn1cc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000783635137 624377458 /nfs/dbraw/zinc/37/74/58/624377458.db2.gz NYCRXFXZEHAJAZ-UHFFFAOYSA-N 1 0 308.769 3.007 20 5 DGBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783639973 624378239 /nfs/dbraw/zinc/37/82/39/624378239.db2.gz XBLGEBTYVGPERL-CMPLNLGQSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(CO)cc2)cc1Cl ZINC000783651870 624379698 /nfs/dbraw/zinc/37/96/98/624379698.db2.gz FIFQJEAEAPKJPZ-UHFFFAOYSA-N 1 0 320.776 3.073 20 5 DGBDRO CC(=O)c1c(NC2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000882429396 625716751 /nfs/dbraw/zinc/71/67/51/625716751.db2.gz NLJTZXBKPYQRPG-UHFFFAOYSA-N 1 0 317.389 3.226 20 5 DGBDRO C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000783778800 624395611 /nfs/dbraw/zinc/39/56/11/624395611.db2.gz SCENKCQWTINOSB-UTUOFQBUSA-N 1 0 324.352 3.038 20 5 DGBDRO COC(=O)C1C[C@@H](C)[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000879067698 624419204 /nfs/dbraw/zinc/41/92/04/624419204.db2.gz XKUXMHLOIZZUQP-CHWSQXEVSA-N 1 0 320.389 3.065 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)cc1 ZINC000879239452 624457314 /nfs/dbraw/zinc/45/73/14/624457314.db2.gz BGVBYTXYCDBQQB-MSOLQXFVSA-N 1 0 312.369 3.293 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000784463540 624528777 /nfs/dbraw/zinc/52/87/77/624528777.db2.gz CEFYTHIKKZYKCO-JQWIXIFHSA-N 1 0 306.391 3.099 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879560659 624590108 /nfs/dbraw/zinc/59/01/08/624590108.db2.gz VJAPHKSXGUFCTD-VXGBXAGGSA-N 1 0 312.822 3.433 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879963477 624738190 /nfs/dbraw/zinc/73/81/90/624738190.db2.gz KGQDPCJMVQRXEC-KGLIPLIRSA-N 1 0 306.406 3.447 20 5 DGBDRO Cc1csc([C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000880011782 624753758 /nfs/dbraw/zinc/75/37/58/624753758.db2.gz RGPBUFKHTLCSSB-LLVKDONJSA-N 1 0 321.377 3.488 20 5 DGBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000785988349 624775200 /nfs/dbraw/zinc/77/52/00/624775200.db2.gz LTHJTNPCYTYNCI-HFAKWTLXSA-N 1 0 312.797 3.230 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)cc1F ZINC000880319849 624916195 /nfs/dbraw/zinc/91/61/95/624916195.db2.gz LHCDNICWMFOAAI-NSHDSACASA-N 1 0 307.350 3.180 20 5 DGBDRO CC[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000880465457 624962663 /nfs/dbraw/zinc/96/26/63/624962663.db2.gz DZLKPIRPYIFLNR-WMLDXEAASA-N 1 0 322.405 3.159 20 5 DGBDRO CC[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000880465454 624962757 /nfs/dbraw/zinc/96/27/57/624962757.db2.gz DZLKPIRPYIFLNR-PBHICJAKSA-N 1 0 322.405 3.159 20 5 DGBDRO CC1(C)CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000788377896 625144364 /nfs/dbraw/zinc/14/43/64/625144364.db2.gz LZLPLRPIGXEBEQ-UHFFFAOYSA-N 1 0 320.418 3.120 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788496819 625198014 /nfs/dbraw/zinc/19/80/14/625198014.db2.gz AVYWNIOQNFDYNS-NSHDSACASA-N 1 0 303.337 3.209 20 5 DGBDRO C[C@H]([NH2+]CCc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788505838 625201670 /nfs/dbraw/zinc/20/16/70/625201670.db2.gz KSGUSPRDEZQUEU-NSHDSACASA-N 1 0 303.337 3.209 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000788527743 625206800 /nfs/dbraw/zinc/20/68/00/625206800.db2.gz OZHUWYYUJBXQPR-MJBXVCDLSA-N 1 0 320.437 3.091 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562037 625217236 /nfs/dbraw/zinc/21/72/36/625217236.db2.gz FIOLIQKWQMFBFM-VIFPVBQESA-N 1 0 307.300 3.306 20 5 DGBDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000796491643 626055874 /nfs/dbraw/zinc/05/58/74/626055874.db2.gz XBFJOIKTFMZSLX-DYVFJYSZSA-N 1 0 300.358 3.115 20 5 DGBDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000796491649 626055903 /nfs/dbraw/zinc/05/59/03/626055903.db2.gz XBFJOIKTFMZSLX-SUMWQHHRSA-N 1 0 300.358 3.115 20 5 DGBDRO CCC(=O)c1ccc(N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000798404748 626216025 /nfs/dbraw/zinc/21/60/25/626216025.db2.gz SNOZHXWXBJZNFZ-UHFFFAOYSA-N 1 0 319.405 3.110 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c(F)c1 ZINC000798965517 626264073 /nfs/dbraw/zinc/26/40/73/626264073.db2.gz UCZOVAWHGNLFRG-ZDUSSCGKSA-N 1 0 301.321 3.118 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCC23CCOCC3)c1 ZINC000800482057 626364214 /nfs/dbraw/zinc/36/42/14/626364214.db2.gz NYODZEYFAHXTGN-AWEZNQCLSA-N 1 0 310.781 3.297 20 5 DGBDRO Cc1cc(N(C)C)nc(NCc2ccc([N+](=O)[O-])c(Cl)c2)[nH+]1 ZINC000800723369 626372454 /nfs/dbraw/zinc/37/24/54/626372454.db2.gz NHAKUSMCOMJOKA-UHFFFAOYSA-N 1 0 321.768 3.025 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800846615 626378711 /nfs/dbraw/zinc/37/87/11/626378711.db2.gz PTMJFDAWPXFOPC-UMVBOHGHSA-N 1 0 318.421 3.019 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800846616 626378714 /nfs/dbraw/zinc/37/87/14/626378714.db2.gz PTMJFDAWPXFOPC-VNHYZAJKSA-N 1 0 318.421 3.019 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1F ZINC000801555318 626409584 /nfs/dbraw/zinc/40/95/84/626409584.db2.gz KJXDKECNUHVZMV-ZDUSSCGKSA-N 1 0 301.321 3.118 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803696398 626628285 /nfs/dbraw/zinc/62/82/85/626628285.db2.gz FFYCTQTXSMIMSR-WFASDCNBSA-N 1 0 308.378 3.094 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1(c2ncccn2)CCC1 ZINC000883311051 626642379 /nfs/dbraw/zinc/64/23/79/626642379.db2.gz MBCBGFGMNAQVSV-AWEZNQCLSA-N 1 0 310.357 3.041 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000803856213 626644586 /nfs/dbraw/zinc/64/45/86/626644586.db2.gz MXKKGWXYHISBLX-ZDUSSCGKSA-N 1 0 324.352 3.042 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883353556 626657795 /nfs/dbraw/zinc/65/77/95/626657795.db2.gz XBQTYCYJYNLSBY-VBNZEHGJSA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000883367085 626663353 /nfs/dbraw/zinc/66/33/53/626663353.db2.gz HSEDJHRYTRNVMR-PEYYIBSZSA-N 1 0 308.353 3.486 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCC2(COC2)CC1 ZINC000883382380 626667546 /nfs/dbraw/zinc/66/75/46/626667546.db2.gz FWVFFGKECFMYCH-GFCCVEGCSA-N 1 0 320.389 3.213 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000804348818 626672326 /nfs/dbraw/zinc/67/23/26/626672326.db2.gz GUQXNJFNLUVSDZ-MRXNPFEDSA-N 1 0 306.410 3.099 20 5 DGBDRO CCN(CCC[NH+](CC)CC)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804646646 626699391 /nfs/dbraw/zinc/69/93/91/626699391.db2.gz KFKGPIQSTWTFER-UHFFFAOYSA-N 1 0 324.381 3.061 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC1([NH+](C)C)CCCC1 ZINC000807926116 626777789 /nfs/dbraw/zinc/77/77/89/626777789.db2.gz XVCQHZLAZVUVRZ-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000807993509 626784260 /nfs/dbraw/zinc/78/42/60/626784260.db2.gz FEBMMSVIFAPYKE-CQSZACIVSA-N 1 0 319.405 3.187 20 5 DGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCC[NH+]1CCCCC1 ZINC000800098008 626806728 /nfs/dbraw/zinc/80/67/28/626806728.db2.gz XKGUCSTWKHEQBQ-JXMROGBWSA-N 1 0 318.373 3.027 20 5 DGBDRO C[C@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1CCC1 ZINC000809665390 626934587 /nfs/dbraw/zinc/93/45/87/626934587.db2.gz SOFLSTAQMXCVGS-LLVKDONJSA-N 1 0 312.797 3.231 20 5 DGBDRO [NH3+]CCN(Cc1cnc2ccccc2c1)c1ccccc1[N+](=O)[O-] ZINC000809727930 626942563 /nfs/dbraw/zinc/94/25/63/626942563.db2.gz CYBUXYKGBPYHLX-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO [NH3+]CCN(Cc1cccc2cnccc21)c1ccc([N+](=O)[O-])cc1 ZINC000809734546 626943144 /nfs/dbraw/zinc/94/31/44/626943144.db2.gz HAIWLZQSBVOJTE-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809752568 626946634 /nfs/dbraw/zinc/94/66/34/626946634.db2.gz GJOIAVWSBCUFQX-UHFFFAOYSA-N 1 0 322.796 3.275 20 5 DGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767796 626950281 /nfs/dbraw/zinc/95/02/81/626950281.db2.gz UMRWEURBJLKJFY-BLLLJJGKSA-N 1 0 323.824 3.164 20 5 DGBDRO CC(C)[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H](C)O ZINC000809944746 626961253 /nfs/dbraw/zinc/96/12/53/626961253.db2.gz SZNMPNMOXYWXKU-VIFPVBQESA-N 1 0 321.204 3.493 20 5 DGBDRO COC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000809973173 626964787 /nfs/dbraw/zinc/96/47/87/626964787.db2.gz KAJOLQJMAZSFCV-GFCCVEGCSA-N 1 0 319.188 3.416 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H](C4CCC4)C3)c2c1 ZINC000840190730 626973880 /nfs/dbraw/zinc/97/38/80/626973880.db2.gz YDXZAJWPUNBFAB-AWEZNQCLSA-N 1 0 300.362 3.024 20 5 DGBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000810852003 627056079 /nfs/dbraw/zinc/05/60/79/627056079.db2.gz OLOBPDBNHGFFAU-GXTWGEPZSA-N 1 0 324.764 3.032 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C12CCCCC2 ZINC000886171720 627117144 /nfs/dbraw/zinc/11/71/44/627117144.db2.gz MRJHSXQXPQCXLM-CABCVRRESA-N 1 0 319.405 3.207 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CC3(CCC3)CO2)c1 ZINC000886288993 627131737 /nfs/dbraw/zinc/13/17/37/627131737.db2.gz LUDJXVPJNNYKKL-CYBMUJFWSA-N 1 0 310.781 3.297 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886289144 627132224 /nfs/dbraw/zinc/13/22/24/627132224.db2.gz OGFWMMIXYWAGAH-VFQAQYNWSA-N 1 0 302.374 3.157 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCOC2(CCC2)C1 ZINC000886344654 627140766 /nfs/dbraw/zinc/14/07/66/627140766.db2.gz JAGVSIINYFDGPC-CQSZACIVSA-N 1 0 310.419 3.485 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCc2cccnc21 ZINC000886586302 627168190 /nfs/dbraw/zinc/16/81/90/627168190.db2.gz PKBKFILMIPHNMO-AWEZNQCLSA-N 1 0 317.776 3.463 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000886719622 627197237 /nfs/dbraw/zinc/19/72/37/627197237.db2.gz BCVINQMMXRCCJK-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886815379 627208205 /nfs/dbraw/zinc/20/82/05/627208205.db2.gz COZNHKRWASSQPF-WFASDCNBSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1Cl ZINC000886822583 627208728 /nfs/dbraw/zinc/20/87/28/627208728.db2.gz RVXRTQFUDYZEOL-WFASDCNBSA-N 1 0 310.781 3.249 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886868140 627211662 /nfs/dbraw/zinc/21/16/62/627211662.db2.gz WJTDJUWIQKQTFE-WMLDXEAASA-N 1 0 303.406 3.121 20 5 DGBDRO Cc1c(C[NH2+]CC2(C3(O)CCC3)CCC2)cccc1[N+](=O)[O-] ZINC000886975422 627217465 /nfs/dbraw/zinc/21/74/65/627217465.db2.gz MGHVAYOOGAUMJW-UHFFFAOYSA-N 1 0 304.390 3.078 20 5 DGBDRO O=C(C[NH2+]C1(C2CC2)CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000887146081 627229817 /nfs/dbraw/zinc/22/98/17/627229817.db2.gz DZSWIZZWIRXNKL-UHFFFAOYSA-N 1 0 323.780 3.109 20 5 DGBDRO CC(C)[N@H+](C)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811477143 627278974 /nfs/dbraw/zinc/27/89/74/627278974.db2.gz HFQSPDSUFKRJPB-UHFFFAOYSA-N 1 0 320.220 3.331 20 5 DGBDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811480545 627279935 /nfs/dbraw/zinc/27/99/35/627279935.db2.gz XVSFQTUSAGSITA-PELKAZGASA-N 1 0 321.204 3.398 20 5 DGBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811489022 627280307 /nfs/dbraw/zinc/28/03/07/627280307.db2.gz UBOPNBWPMZJJNR-YUMQZZPRSA-N 1 0 307.177 3.151 20 5 DGBDRO CN(CCC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811506745 627283671 /nfs/dbraw/zinc/28/36/71/627283671.db2.gz DHPRBGRDZJNAGU-UHFFFAOYSA-N 1 0 320.220 3.285 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000811848348 627329624 /nfs/dbraw/zinc/32/96/24/627329624.db2.gz ANWPFFZGKISVAI-LLVKDONJSA-N 1 0 310.354 3.035 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000811848349 627329901 /nfs/dbraw/zinc/32/99/01/627329901.db2.gz APJJMEDDWKDJGP-GFCCVEGCSA-N 1 0 307.394 3.330 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554379 627684332 /nfs/dbraw/zinc/68/43/32/627684332.db2.gz YJMROIZVCBXGQH-NSHDSACASA-N 1 0 319.336 3.046 20 5 DGBDRO CCc1cnc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815584535 627687785 /nfs/dbraw/zinc/68/77/85/627687785.db2.gz HGRBADQSVIOPHV-JTQLQIEISA-N 1 0 320.418 3.089 20 5 DGBDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1 ZINC000815586561 627688599 /nfs/dbraw/zinc/68/85/99/627688599.db2.gz LYAXTERIMTWNKF-NWDGAFQWSA-N 1 0 300.362 3.026 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1 ZINC000815586560 627688617 /nfs/dbraw/zinc/68/86/17/627688617.db2.gz LYAXTERIMTWNKF-NEPJUHHUSA-N 1 0 300.362 3.026 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC000924955259 627697472 /nfs/dbraw/zinc/69/74/72/627697472.db2.gz MPEVGIXIZVDXTI-CYBMUJFWSA-N 1 0 314.389 3.410 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCOC23CCCCC3)c1 ZINC000925640928 627767751 /nfs/dbraw/zinc/76/77/51/627767751.db2.gz KNROCADERIADKH-MRXNPFEDSA-N 1 0 304.390 3.219 20 5 DGBDRO CC(C)n1cc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000926492515 627903948 /nfs/dbraw/zinc/90/39/48/627903948.db2.gz CMVGLOZZHZALNF-NWDGAFQWSA-N 1 0 303.366 3.179 20 5 DGBDRO C[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C[NH3+] ZINC000817864737 627952138 /nfs/dbraw/zinc/95/21/38/627952138.db2.gz CXMYINUPASWIQU-MDZLAQPJSA-N 1 0 311.813 3.053 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCCO1 ZINC000927016168 627998275 /nfs/dbraw/zinc/99/82/75/627998275.db2.gz UUYZWIPVQSQZIB-BLLLJJGKSA-N 1 0 310.369 3.214 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1[N+](=O)[O-] ZINC000927056398 628004005 /nfs/dbraw/zinc/00/40/05/628004005.db2.gz UJQPQAHOXUZFAC-DLKVLKDVSA-N 1 0 320.389 3.236 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000927065950 628006227 /nfs/dbraw/zinc/00/62/27/628006227.db2.gz BXLPGJJFWJJGKS-NUTKFTJISA-N 1 0 304.390 3.451 20 5 DGBDRO CC(C)[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cnn(C)c1 ZINC000927072656 628008244 /nfs/dbraw/zinc/00/82/44/628008244.db2.gz YBPSAZPAFXGRIR-NVXWUHKLSA-N 1 0 314.389 3.303 20 5 DGBDRO C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000927143703 628025617 /nfs/dbraw/zinc/02/56/17/628025617.db2.gz PDPPZJKZUFTSBX-PJSAGSTRSA-N 1 0 312.369 3.294 20 5 DGBDRO Cc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000819114469 628094481 /nfs/dbraw/zinc/09/44/81/628094481.db2.gz WEEBFCWITUAIFF-YVEFUNNKSA-N 1 0 318.373 3.141 20 5 DGBDRO Cc1cc(C)cc([C@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000819191971 628110147 /nfs/dbraw/zinc/11/01/47/628110147.db2.gz VOQZGIVGOUWODP-GOSISDBHSA-N 1 0 314.385 3.077 20 5 DGBDRO C[C@@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928247537 628132806 /nfs/dbraw/zinc/13/28/06/628132806.db2.gz XBCKHMAEKRPPGA-SYQHCUMBSA-N 1 0 319.405 3.033 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCCC2(F)F)c1 ZINC000819338549 628135496 /nfs/dbraw/zinc/13/54/96/628135496.db2.gz CCHATLRNMYCCRX-JSGCOSHPSA-N 1 0 314.332 3.043 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2C[C@@H](C)CC[NH2+]2)n1 ZINC000822807790 628497805 /nfs/dbraw/zinc/49/78/05/628497805.db2.gz HGHPEYNXLMBUQS-ZANVPECISA-N 1 0 302.334 3.014 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000824845025 628699640 /nfs/dbraw/zinc/69/96/40/628699640.db2.gz GUGCMBJSLWKNJD-GOEBONIOSA-N 1 0 324.808 3.135 20 5 DGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824978160 628712976 /nfs/dbraw/zinc/71/29/76/628712976.db2.gz SRYIMXISZPMXEC-KSSFIOAISA-N 1 0 317.433 3.445 20 5 DGBDRO C[C@H]1CC2(C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-])CCOCC2 ZINC000830623029 629288524 /nfs/dbraw/zinc/28/85/24/629288524.db2.gz WGMDCGVBPWFIQD-LBPRGKRZSA-N 1 0 308.353 3.125 20 5 DGBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000831665007 629402650 /nfs/dbraw/zinc/40/26/50/629402650.db2.gz WTGPOERPLSZTJS-CZUORRHYSA-N 1 0 312.385 3.113 20 5 DGBDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000832204879 629450012 /nfs/dbraw/zinc/45/00/12/629450012.db2.gz UHYVIGOTMGSCDY-LSDHHAIUSA-N 1 0 308.353 3.123 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000832505643 629490870 /nfs/dbraw/zinc/49/08/70/629490870.db2.gz MQCAKUONLJSNSI-HNNXBMFYSA-N 1 0 310.394 3.453 20 5 DGBDRO CCc1nc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)co1 ZINC000834897699 629802146 /nfs/dbraw/zinc/80/21/46/629802146.db2.gz HJMOBSBYBIYSOT-OAHLLOKOSA-N 1 0 315.373 3.256 20 5 DGBDRO COCC1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000840877202 630370138 /nfs/dbraw/zinc/37/01/38/630370138.db2.gz YUWKDNANIYICRW-DCBWTQNWSA-N 1 0 307.394 3.033 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)C(C)C ZINC000840967877 630388111 /nfs/dbraw/zinc/38/81/11/630388111.db2.gz SFAXOBYSXBPWRL-KBPBESRZSA-N 1 0 300.786 3.133 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000840965960 630388187 /nfs/dbraw/zinc/38/81/87/630388187.db2.gz CILCGGNANPJQIG-OCCSQVGLSA-N 1 0 300.786 3.133 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]Cc3ccccc32)cc1Cl ZINC000841036136 630400082 /nfs/dbraw/zinc/40/00/82/630400082.db2.gz OQGIAQIFKSIRRV-UHFFFAOYSA-N 1 0 317.776 3.358 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000841085678 630406025 /nfs/dbraw/zinc/40/60/25/630406025.db2.gz APKSGHJLDIIJOQ-BLLLJJGKSA-N 1 0 323.824 3.212 20 5 DGBDRO CN(Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)C[NH+]1CCCC1 ZINC000842170594 630502111 /nfs/dbraw/zinc/50/21/11/630502111.db2.gz JVBVTUNATKYJHY-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC000842588654 630550933 /nfs/dbraw/zinc/55/09/33/630550933.db2.gz OCUGBHMZRQGXQY-JTQLQIEISA-N 1 0 310.741 3.344 20 5 DGBDRO CC(C)Cn1nccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000842709583 630566135 /nfs/dbraw/zinc/56/61/35/630566135.db2.gz AGQIZQZSCYXFID-ZDUSSCGKSA-N 1 0 302.378 3.298 20 5 DGBDRO Cc1cc(C(=O)OC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000842835340 630582780 /nfs/dbraw/zinc/58/27/80/630582780.db2.gz WCFXSJWWJIAEDT-CQSZACIVSA-N 1 0 320.389 3.180 20 5 DGBDRO C[C@@H]1SCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842929613 630595086 /nfs/dbraw/zinc/59/50/86/630595086.db2.gz NZIYGBUEIFZDRV-BLLLJJGKSA-N 1 0 321.446 3.047 20 5 DGBDRO CC(C)[C@H]([NH3+])c1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000843149573 630620388 /nfs/dbraw/zinc/62/03/88/630620388.db2.gz BPIMSHPBRBSKKF-CABZTGNLSA-N 1 0 322.390 3.487 20 5 DGBDRO C[NH2+][C@@H](CC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218653 630634531 /nfs/dbraw/zinc/63/45/31/630634531.db2.gz AHVUXMMRJDOVGW-QMMMGPOBSA-N 1 0 310.379 3.403 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(OCc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000844299330 630716907 /nfs/dbraw/zinc/71/69/07/630716907.db2.gz BBUGYWKLRWXKBI-UHFFFAOYSA-N 1 0 318.760 3.473 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000845502679 631179254 /nfs/dbraw/zinc/17/92/54/631179254.db2.gz LZMQBBMMSADDRM-QWHCGFSZSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@](C)(O)c1ccccc1 ZINC000846038365 631207452 /nfs/dbraw/zinc/20/74/52/631207452.db2.gz PTADCIDMVFJWPC-KSSFIOAISA-N 1 0 314.385 3.289 20 5 DGBDRO COc1ccc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846040170 631207568 /nfs/dbraw/zinc/20/75/68/631207568.db2.gz WKLZUKCXOZCWCL-KBPBESRZSA-N 1 0 316.760 3.398 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846185939 631214117 /nfs/dbraw/zinc/21/41/17/631214117.db2.gz BLSKUSCBRKECQX-GTNSWQLSSA-N 1 0 319.405 3.033 20 5 DGBDRO CC(C)([NH2+]CC1(Br)CC1)c1ccccc1[N+](=O)[O-] ZINC000846917788 631352805 /nfs/dbraw/zinc/35/28/05/631352805.db2.gz DZPQEAPRYRQVFE-UHFFFAOYSA-N 1 0 313.195 3.347 20 5 DGBDRO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000847034330 631385831 /nfs/dbraw/zinc/38/58/31/631385831.db2.gz SOHAHWLGLCWZMM-UHFFFAOYSA-N 1 0 313.785 3.307 20 5 DGBDRO C[C@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848473952 631666722 /nfs/dbraw/zinc/66/67/22/631666722.db2.gz RXJBBBXFQHHSSK-ZDUSSCGKSA-N 1 0 300.362 3.148 20 5 DGBDRO C[C@H]1C[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@H]1C ZINC000848481192 631669027 /nfs/dbraw/zinc/66/90/27/631669027.db2.gz WONFNNKFUZMOCI-STQMWFEESA-N 1 0 300.362 3.004 20 5 DGBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848531772 631681313 /nfs/dbraw/zinc/68/13/13/631681313.db2.gz WEMRRRDGINIOCL-SJORKVTESA-N 1 0 324.384 3.348 20 5 DGBDRO Cn1c(Cl)ncc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000848540545 631685184 /nfs/dbraw/zinc/68/51/84/631685184.db2.gz PJMKBHYKWSSBOO-UHFFFAOYSA-N 1 0 308.769 3.007 20 5 DGBDRO COC[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848564186 631695018 /nfs/dbraw/zinc/69/50/18/631695018.db2.gz JAWUTUVBQPVFLW-WCQYABFASA-N 1 0 309.410 3.279 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000848760251 631743171 /nfs/dbraw/zinc/74/31/71/631743171.db2.gz AJWHFGDXYBWLPX-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848787860 631748578 /nfs/dbraw/zinc/74/85/78/631748578.db2.gz XKRHXUOCVCYKAB-DLBZAZTESA-N 1 0 317.389 3.226 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)cc1 ZINC000850386725 632134848 /nfs/dbraw/zinc/13/48/48/632134848.db2.gz RRJMUJTUBYLSJP-QAPCUYQASA-N 1 0 311.385 3.491 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccn1 ZINC000850482327 632165882 /nfs/dbraw/zinc/16/58/82/632165882.db2.gz NWFXASBOMQQPKW-RYUDHWBXSA-N 1 0 300.362 3.026 20 5 DGBDRO COc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000850579665 632201391 /nfs/dbraw/zinc/20/13/91/632201391.db2.gz XWCPPLMZZHHKAA-GFCCVEGCSA-N 1 0 315.373 3.345 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCOC(F)F)C2)cc1 ZINC000852134205 632561317 /nfs/dbraw/zinc/56/13/17/632561317.db2.gz AUMHCSJVHFLVFF-LBPRGKRZSA-N 1 0 300.305 3.013 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1CCO ZINC000852457310 632605565 /nfs/dbraw/zinc/60/55/65/632605565.db2.gz RJUZQQXKRSYDAM-ABAIWWIYSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1CCO ZINC000852458145 632605909 /nfs/dbraw/zinc/60/59/09/632605909.db2.gz BMYDAVKIWORVBH-RISCZKNCSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(CCCC2)C1 ZINC000173820138 659402562 /nfs/dbraw/zinc/40/25/62/659402562.db2.gz AHNAHZQEYYXDIE-ZDUSSCGKSA-N 1 0 317.389 3.188 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCO[C@@H]2CCCC[C@H]21 ZINC000255306519 655695888 /nfs/dbraw/zinc/69/58/88/655695888.db2.gz RAIVQXGSFKFTDO-BJESKFFQSA-N 1 0 302.374 3.251 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCSC(F)(F)F ZINC000255377812 655720880 /nfs/dbraw/zinc/72/08/80/655720880.db2.gz ZQCABECOBUEITI-HYXAFXHYSA-N 1 0 306.309 3.451 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)cc1[N+](=O)[O-] ZINC000509446688 661187931 /nfs/dbraw/zinc/18/79/31/661187931.db2.gz IVQWHBUADVPNGA-INIZCTEOSA-N 1 0 312.369 3.387 20 5 DGBDRO C[NH+](C)C1(C)CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000931355297 656213407 /nfs/dbraw/zinc/21/34/07/656213407.db2.gz PUIJVIHCZDLONY-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO CC1CCC(O)(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093632990 656365867 /nfs/dbraw/zinc/36/58/67/656365867.db2.gz WFGMVDCLZSOPPD-UHFFFAOYSA-N 1 0 312.797 3.279 20 5 DGBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000261988269 657272214 /nfs/dbraw/zinc/27/22/14/657272214.db2.gz SOIDKUBEXBNHHX-UWVGGRQHSA-N 1 0 317.311 3.177 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1O ZINC000897684591 658483191 /nfs/dbraw/zinc/48/31/91/658483191.db2.gz SDHZUFZIHIAGMS-ABAIWWIYSA-N 1 0 318.398 3.136 20 5 DGBDRO CC[NH+]1CCC(N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000042616396 658791072 /nfs/dbraw/zinc/79/10/72/658791072.db2.gz BYBGUIHPTZKMST-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO CCC(CC)(CO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000230258529 659321813 /nfs/dbraw/zinc/32/18/13/659321813.db2.gz WRENBIYZULMHHL-UHFFFAOYSA-N 1 0 300.786 3.137 20 5 DGBDRO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000089092250 659541467 /nfs/dbraw/zinc/54/14/67/659541467.db2.gz MQKCSVJZMUWFIF-PSASIEDQSA-N 1 0 303.284 3.153 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174880333 659903076 /nfs/dbraw/zinc/90/30/76/659903076.db2.gz MHCJSGXWWPUWKC-AWEZNQCLSA-N 1 0 311.813 3.164 20 5 DGBDRO C[C@H]([NH2+]CCSc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000930593147 661414036 /nfs/dbraw/zinc/41/40/36/661414036.db2.gz DNBSJUCNYYZFAV-LBPRGKRZSA-N 1 0 303.387 3.433 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC(c2ncco2)CC1 ZINC000931445733 661477324 /nfs/dbraw/zinc/47/73/24/661477324.db2.gz MKEYRSRQTATAMR-UHFFFAOYSA-N 1 0 305.309 3.102 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931919872 661522301 /nfs/dbraw/zinc/52/23/01/661522301.db2.gz ZZFJQYLHGIGJBY-GFCCVEGCSA-N 1 0 318.270 3.461 20 5 DGBDRO Cc1nc([C@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)no1 ZINC000931938235 661524288 /nfs/dbraw/zinc/52/42/88/661524288.db2.gz LPDNMCMMGUBBKT-YPMHNXCESA-N 1 0 316.361 3.145 20 5 DGBDRO Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000933133429 661619247 /nfs/dbraw/zinc/61/92/47/661619247.db2.gz YQSUXEPTNZNRCY-AWEZNQCLSA-N 1 0 317.414 3.424 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000934011136 661673716 /nfs/dbraw/zinc/67/37/16/661673716.db2.gz JSLHXHASHZLUKK-AWEZNQCLSA-N 1 0 312.797 3.279 20 5 DGBDRO CCCCC1([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000934206570 661687837 /nfs/dbraw/zinc/68/78/37/661687837.db2.gz CCYTZYJFFJQQKX-UHFFFAOYSA-N 1 0 305.378 3.154 20 5 DGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000934617429 661718986 /nfs/dbraw/zinc/71/89/86/661718986.db2.gz HNXQUFKRLNUWRK-DGCLKSJQSA-N 1 0 314.345 3.089 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(C3CCCCC3)CC2)c1 ZINC000934788924 661734881 /nfs/dbraw/zinc/73/48/81/661734881.db2.gz WHDPSLXQOHHOAP-MRXNPFEDSA-N 1 0 304.390 3.331 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934837868 661739471 /nfs/dbraw/zinc/73/94/71/661739471.db2.gz XGPYGSHOVRNEFM-KGLIPLIRSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000934840108 661740384 /nfs/dbraw/zinc/74/03/84/661740384.db2.gz BDFLCVKNRKTUFP-HOTGVXAUSA-N 1 0 304.390 3.233 20 5 DGBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246378344 662257082 /nfs/dbraw/zinc/25/70/82/662257082.db2.gz ZEYUEXYHZJSUCS-FZKQIMNGSA-N 1 0 312.369 3.075 20 5 DGBDRO CCC[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001577385833 1191897339 /nfs/dbraw/zinc/89/73/39/1191897339.db2.gz UTZZMVORQNZXCJ-NSHDSACASA-N 1 0 317.311 3.192 20 5 DGBDRO Cc1cc(N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001579638034 1191983857 /nfs/dbraw/zinc/98/38/57/1191983857.db2.gz OUQMRQGIQKBXLQ-MAEOIBBWSA-N 1 0 311.385 3.374 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001579734948 1191989760 /nfs/dbraw/zinc/98/97/60/1191989760.db2.gz VMYKBETWNOKCGV-UHFFFAOYSA-N 1 0 311.341 3.067 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001580874792 1192043492 /nfs/dbraw/zinc/04/34/92/1192043492.db2.gz INAUWVIZJLTYPE-NVXWUHKLSA-N 1 0 312.373 3.087 20 5 DGBDRO O=[N+]([O-])c1cnc(N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001580875385 1192043668 /nfs/dbraw/zinc/04/36/68/1192043668.db2.gz JIAFGLHLWHUUQO-RISCZKNCSA-N 1 0 324.812 3.002 20 5 DGBDRO Cc1ncsc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001620822421 1192180884 /nfs/dbraw/zinc/18/08/84/1192180884.db2.gz DIBWXNDGTILITA-UHFFFAOYSA-N 1 0 305.403 3.472 20 5 DGBDRO Cc1nc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cs1 ZINC001620822455 1192181308 /nfs/dbraw/zinc/18/13/08/1192181308.db2.gz FTZURZZDWXFFGA-UHFFFAOYSA-N 1 0 305.403 3.472 20 5 DGBDRO COc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])ccc1F ZINC001620920634 1192610531 /nfs/dbraw/zinc/61/05/31/1192610531.db2.gz XDEPQNXGXMCWKN-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(CO)cc1 ZINC001620984372 1192776997 /nfs/dbraw/zinc/77/69/97/1192776997.db2.gz QAQQWHAORBSNTQ-NTEUORMPSA-N 1 0 312.369 3.280 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001333876528 1178688633 /nfs/dbraw/zinc/68/86/33/1178688633.db2.gz OZCNSQMDNFEHHD-YRGRVCCFSA-N 1 0 323.824 3.415 20 5 DGBDRO Cc1ccc(Cl)cc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335317519 1178893697 /nfs/dbraw/zinc/89/36/97/1178893697.db2.gz NGCMQILQISGBQJ-INIZCTEOSA-N 1 0 320.776 3.380 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC001342323275 1179129961 /nfs/dbraw/zinc/12/99/61/1179129961.db2.gz APDDTMLFMLNHBN-LSDHHAIUSA-N 1 0 311.813 3.211 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001351129878 1180176365 /nfs/dbraw/zinc/17/63/65/1180176365.db2.gz WQTVMBOUWRFTHO-ZDUSSCGKSA-N 1 0 321.421 3.062 20 5 DGBDRO CC[C@@](O)(C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC001351177253 1180182470 /nfs/dbraw/zinc/18/24/70/1180182470.db2.gz OSOXOFVZKYNYLC-GXFFZTMASA-N 1 0 320.311 3.257 20 5 DGBDRO Cn1cc(CN2CCC[C@H]2c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC001352878363 1180413794 /nfs/dbraw/zinc/41/37/94/1180413794.db2.gz KIUQJRRHDYGGGC-AWEZNQCLSA-N 1 0 320.780 3.319 20 5 DGBDRO C[C@H](CC1CCC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001357259708 1181377149 /nfs/dbraw/zinc/37/71/49/1181377149.db2.gz FKESUSOMGBFWBF-GFCCVEGCSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC001473365960 1181481554 /nfs/dbraw/zinc/48/15/54/1181481554.db2.gz YBMGMBNLBBAAOL-QWHCGFSZSA-N 1 0 319.405 3.290 20 5 DGBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCC(C)CC1 ZINC001458101183 1182496525 /nfs/dbraw/zinc/49/65/25/1182496525.db2.gz WOWDIXURLPYXAE-HNNXBMFYSA-N 1 0 324.400 3.297 20 5 DGBDRO CC[NH+](CC)[C@H](C)CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001458357299 1182517833 /nfs/dbraw/zinc/51/78/33/1182517833.db2.gz UVVMNKHQZTWLII-GFCCVEGCSA-N 1 0 306.410 3.011 20 5 DGBDRO Cc1cc(N2CC[N@H+](C3CCCC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001458601433 1182542974 /nfs/dbraw/zinc/54/29/74/1182542974.db2.gz HUAIIFLXEGXUAJ-CQSZACIVSA-N 1 0 303.406 3.356 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001459956126 1182634364 /nfs/dbraw/zinc/63/43/64/1182634364.db2.gz WTRSOGFYXQEJSQ-UKRRQHHQSA-N 1 0 322.405 3.493 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001459956122 1182634760 /nfs/dbraw/zinc/63/47/60/1182634760.db2.gz WTRSOGFYXQEJSQ-HIFRSBDPSA-N 1 0 322.405 3.493 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001460004933 1182641017 /nfs/dbraw/zinc/64/10/17/1182641017.db2.gz KXNYSTNBBMUXNE-SJORKVTESA-N 1 0 304.390 3.027 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCCCCCC2)cc1F ZINC001460661046 1182704987 /nfs/dbraw/zinc/70/49/87/1182704987.db2.gz LUPBUVJPHOCGFY-UHFFFAOYSA-N 1 0 310.369 3.299 20 5 DGBDRO CCCn1cncc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001461383679 1182802743 /nfs/dbraw/zinc/80/27/43/1182802743.db2.gz SRBGZNQURPHNBO-UHFFFAOYSA-N 1 0 322.796 3.187 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCN1C ZINC001461810040 1182857998 /nfs/dbraw/zinc/85/79/98/1182857998.db2.gz ZSLWKUONUPKZED-SHRNQRGKSA-N 1 0 303.406 3.072 20 5 DGBDRO Cc1cc(NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001472670719 1183664047 /nfs/dbraw/zinc/66/40/47/1183664047.db2.gz KCHFVJNRJODJHL-UHFFFAOYSA-N 1 0 317.311 3.428 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)c1 ZINC001473228773 1183733177 /nfs/dbraw/zinc/73/31/77/1183733177.db2.gz VRZCQEKINPLWQZ-GOSISDBHSA-N 1 0 322.368 3.322 20 5 DGBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001473342914 1183745995 /nfs/dbraw/zinc/74/59/95/1183745995.db2.gz UBCIYNZTTJJCAU-OAHLLOKOSA-N 1 0 320.368 3.288 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001473385785 1183750880 /nfs/dbraw/zinc/75/08/80/1183750880.db2.gz QSIAQBUXIYEKAO-UKRRQHHQSA-N 1 0 319.405 3.400 20 5 DGBDRO CCC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCC1 ZINC001473540642 1183772279 /nfs/dbraw/zinc/77/22/79/1183772279.db2.gz SUTRSQQNWCUODM-OAHLLOKOSA-N 1 0 320.389 3.440 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccccc1[N+](=O)[O-] ZINC001473878333 1183818080 /nfs/dbraw/zinc/81/80/80/1183818080.db2.gz VYRHULOGKJEKMT-AEFFLSMTSA-N 1 0 317.433 3.290 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@]23CCCOC3)cc1 ZINC001473900355 1183822098 /nfs/dbraw/zinc/82/20/98/1183822098.db2.gz ABAVEWFODQGUCV-QGZVFWFLSA-N 1 0 304.390 3.172 20 5 DGBDRO CO[C@@](C)(CO)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001474195424 1183881485 /nfs/dbraw/zinc/88/14/85/1183881485.db2.gz VSNUGDDECOTHEP-HXUWFJFHSA-N 1 0 309.409 3.480 20 5 DGBDRO Cc1c(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001611091321 1193422545 /nfs/dbraw/zinc/42/25/45/1193422545.db2.gz VZXMLBDTJXJGEI-NSHDSACASA-N 1 0 324.340 3.042 20 5 DGBDRO O=[N+]([O-])c1ccccc1CCNc1cc[nH+]cc1C(F)(F)F ZINC001612324693 1193450005 /nfs/dbraw/zinc/45/00/05/1193450005.db2.gz GDGZOAZSEPDOHL-UHFFFAOYSA-N 1 0 311.263 3.085 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001522858122 1187108564 /nfs/dbraw/zinc/10/85/64/1187108564.db2.gz PTPUWJNDAYKGCT-ZDUSSCGKSA-N 1 0 321.421 3.062 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC001617361915 1193566910 /nfs/dbraw/zinc/56/69/10/1193566910.db2.gz ZSHHURIJYBIUGW-TYNCELHUSA-N 1 0 320.389 3.296 20 5 DGBDRO CC[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[NH+]1CCCC1 ZINC001559067571 1189168012 /nfs/dbraw/zinc/16/80/12/1189168012.db2.gz FDSUSGCGTUFTON-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO COc1cc(NC[C@H]2CCCC[N@@H+]2C)c(Cl)cc1[N+](=O)[O-] ZINC001559295686 1189193738 /nfs/dbraw/zinc/19/37/38/1189193738.db2.gz HUJDQNQUNSQCRQ-SNVBAGLBSA-N 1 0 313.785 3.153 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001559937231 1189259403 /nfs/dbraw/zinc/25/94/03/1189259403.db2.gz XGFHITCGFAENCY-HUUCEWRRSA-N 1 0 320.437 3.248 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@@H]1[C@H]1CCCO1 ZINC001560224225 1189293842 /nfs/dbraw/zinc/29/38/42/1189293842.db2.gz ROGKARMLDIMFAF-HZPDHXFCSA-N 1 0 308.353 3.267 20 5 DGBDRO C[C@@H](COc1cccc(F)c1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001560286563 1189305109 /nfs/dbraw/zinc/30/51/09/1189305109.db2.gz MKLAITHNEVRKDI-LBPRGKRZSA-N 1 0 304.321 3.291 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CCSCC2)c1 ZINC001560321751 1189311349 /nfs/dbraw/zinc/31/13/49/1189311349.db2.gz AINIHJGIXNVRBZ-UHFFFAOYSA-N 1 0 318.345 3.181 20 5 DGBDRO CCCn1cncc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001560357413 1189316948 /nfs/dbraw/zinc/31/69/48/1189316948.db2.gz MLEAXXPEQHIRBH-CYBMUJFWSA-N 1 0 302.378 3.361 20 5 DGBDRO COc1cc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)c([N+](=O)[O-])cc1O ZINC001560359325 1189317921 /nfs/dbraw/zinc/31/79/21/1189317921.db2.gz IXBFOIBFVNCEFM-KGLIPLIRSA-N 1 0 320.389 3.367 20 5 DGBDRO COc1c(O)ccc(C[NH+]2CCC3(CCCC3)CC2)c1[N+](=O)[O-] ZINC001560850739 1189393496 /nfs/dbraw/zinc/39/34/96/1189393496.db2.gz RUYCLRKBYMBZQC-UHFFFAOYSA-N 1 0 320.389 3.465 20 5 DGBDRO COC[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC001561020887 1189421675 /nfs/dbraw/zinc/42/16/75/1189421675.db2.gz UBDTXYUZDRDJIT-GOEBONIOSA-N 1 0 308.422 3.424 20 5 DGBDRO CC(C)C[C@](C)(C[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC001575529810 1191488558 /nfs/dbraw/zinc/48/85/58/1191488558.db2.gz AEJVDFDIHMPMLR-CQSZACIVSA-N 1 0 313.785 3.198 20 5 DGBDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001576102873 1191530005 /nfs/dbraw/zinc/53/00/05/1191530005.db2.gz IVTQQFGEDHWNHI-NXEZZACHSA-N 1 0 323.780 3.334 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001621113284 1193804585 /nfs/dbraw/zinc/80/45/85/1193804585.db2.gz CPXZOZSSFFBOTI-MRXNPFEDSA-N 1 0 319.449 3.375 20 5 DGBDRO CC1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC1 ZINC001621127513 1193806325 /nfs/dbraw/zinc/80/63/25/1193806325.db2.gz DPWOOYBEXMHYCQ-CYBMUJFWSA-N 1 0 304.394 3.056 20 5 DGBDRO CC1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC1 ZINC001621127514 1193806461 /nfs/dbraw/zinc/80/64/61/1193806461.db2.gz DPWOOYBEXMHYCQ-ZDUSSCGKSA-N 1 0 304.394 3.056 20 5 DGBDRO C[C@@]12CSC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC001621555169 1193857705 /nfs/dbraw/zinc/85/77/05/1193857705.db2.gz UNPFUGWZKMBNHY-SMDDNHRTSA-N 1 0 312.822 3.433 20 5 DGBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC001636203879 1194599334 /nfs/dbraw/zinc/59/93/34/1194599334.db2.gz UPMIESTYZPYIRJ-UHFFFAOYSA-N 1 0 316.704 3.148 20 5 DGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001640155856 1194799257 /nfs/dbraw/zinc/79/92/57/1194799257.db2.gz XFJFPGFXIXFBFA-GFCCVEGCSA-N 1 0 322.365 3.035 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001642662088 1194927442 /nfs/dbraw/zinc/92/74/42/1194927442.db2.gz GQOUSJYOCFXPJM-CYBMUJFWSA-N 1 0 322.405 3.350 20 5 DGBDRO COCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC001642938217 1194955859 /nfs/dbraw/zinc/95/58/59/1194955859.db2.gz NUSKTSKFSNHKIC-SWLSCSKDSA-N 1 0 310.369 3.371 20 5 DGBDRO Cc1cc(NCCC2CC[NH+](C(C)C)CC2)ncc1[N+](=O)[O-] ZINC001643002209 1194959368 /nfs/dbraw/zinc/95/93/68/1194959368.db2.gz CZBHVZZVKAUXCC-UHFFFAOYSA-N 1 0 306.410 3.221 20 5 DGBDRO CC[N@H+]1[C@H](C)CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC001643636943 1195041907 /nfs/dbraw/zinc/04/19/07/1195041907.db2.gz FAELTTOWLRBITQ-QLFBSQMISA-N 1 0 305.422 3.379 20 5 DGBDRO Cc1ccc2c(c1)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC001643740130 1195050501 /nfs/dbraw/zinc/05/05/01/1195050501.db2.gz BCJRTGLIXAAGLH-UHFFFAOYSA-N 1 0 312.369 3.340 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001643848749 1195058273 /nfs/dbraw/zinc/05/82/73/1195058273.db2.gz DOXATALMVDZYAD-VXGBXAGGSA-N 1 0 302.378 3.482 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC001644479500 1195111256 /nfs/dbraw/zinc/11/12/56/1195111256.db2.gz KIYCUQHWGBWUBH-APWZRJJASA-N 1 0 324.380 3.247 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC001645083567 1195155153 /nfs/dbraw/zinc/15/51/53/1195155153.db2.gz ZPHWXGHJMIJUEL-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO CC1(C)C[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC001645307022 1195174417 /nfs/dbraw/zinc/17/44/17/1195174417.db2.gz TWGNJFRLXRHMJK-UHFFFAOYSA-N 1 0 322.405 3.253 20 5 DGBDRO Cc1ccccc1CC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001645851447 1195204714 /nfs/dbraw/zinc/20/47/14/1195204714.db2.gz LYOXVVDWJUXMFD-UHFFFAOYSA-N 1 0 314.385 3.457 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCSC[C@H]1C1CCC1 ZINC001646293567 1195220762 /nfs/dbraw/zinc/22/07/62/1195220762.db2.gz RIEZYVLYGUUNAS-HNNXBMFYSA-N 1 0 322.430 3.191 20 5 DGBDRO CC(C)c1nc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c[nH]1 ZINC001647824395 1195255794 /nfs/dbraw/zinc/25/57/94/1195255794.db2.gz DAINCPOFACFXGF-UHFFFAOYSA-N 1 0 322.752 3.025 20 5 DGBDRO CC(C)(CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001648020656 1195271886 /nfs/dbraw/zinc/27/18/86/1195271886.db2.gz ZSTCEPNEAUMVRI-QGZVFWFLSA-N 1 0 306.406 3.218 20 5 DGBDRO CCOc1cc(C[NH2+]C2([C@H]3CCCO3)CCC2)ccc1[N+](=O)[O-] ZINC001648625149 1195316187 /nfs/dbraw/zinc/31/61/87/1195316187.db2.gz VPJXHCLNCNLNLN-MRXNPFEDSA-N 1 0 320.389 3.185 20 5 DGBDRO C[C@H]1CCC[N@H+](CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001650627477 1195365891 /nfs/dbraw/zinc/36/58/91/1195365891.db2.gz NHRAXMFKHGZPHK-ZDUSSCGKSA-N 1 0 318.421 3.012 20 5 DGBDRO COc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001650893654 1195393081 /nfs/dbraw/zinc/39/30/81/1195393081.db2.gz WXVFOCFINFHDLD-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO CN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001651174331 1195423500 /nfs/dbraw/zinc/42/35/00/1195423500.db2.gz JHYPCJBLPIHALG-UHFFFAOYSA-N 1 0 313.348 3.455 20 5 DGBDRO Cc1cc(N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c(F)cc1[N+](=O)[O-] ZINC001651240798 1195431042 /nfs/dbraw/zinc/43/10/42/1195431042.db2.gz SMDYNWFPNGCWDO-HUUCEWRRSA-N 1 0 307.369 3.327 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001651516306 1195475447 /nfs/dbraw/zinc/47/54/47/1195475447.db2.gz OXWSKZCATGZEIN-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001651746979 1195504432 /nfs/dbraw/zinc/50/44/32/1195504432.db2.gz YYIXETKSGLZBRE-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(OC)CCCCCC1 ZINC001652008604 1195535669 /nfs/dbraw/zinc/53/56/69/1195535669.db2.gz LJUDTIUJXAMGLE-UHFFFAOYSA-N 1 0 322.405 3.432 20 5 DGBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])c3ccccc32)CCCCC1 ZINC001652160001 1195555347 /nfs/dbraw/zinc/55/53/47/1195555347.db2.gz UDQOHVGLEVNPKL-UHFFFAOYSA-N 1 0 314.389 3.477 20 5 DGBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001652157066 1195555446 /nfs/dbraw/zinc/55/54/46/1195555446.db2.gz DNVAMYPMKJLRQG-CQSZACIVSA-N 1 0 312.373 3.163 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001652653800 1195632177 /nfs/dbraw/zinc/63/21/77/1195632177.db2.gz ABFZSNJLIFEDLY-OAHLLOKOSA-N 1 0 305.422 3.126 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)O ZINC001653551714 1195733539 /nfs/dbraw/zinc/73/35/39/1195733539.db2.gz VDFZSBRHJZSQSJ-ZDUSSCGKSA-N 1 0 300.786 3.133 20 5 DGBDRO CCCCCC[N@H+](C)CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001653768735 1195749415 /nfs/dbraw/zinc/74/94/15/1195749415.db2.gz DLCFMJPFPIABMN-UHFFFAOYSA-N 1 0 307.394 3.354 20 5 DGBDRO CC(C)[C@H](O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001654498734 1195809921 /nfs/dbraw/zinc/80/99/21/1195809921.db2.gz HXFVNCFJSQZICD-DOTOQJQBSA-N 1 0 306.406 3.181 20 5 DGBDRO CCC[C@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC001655074125 1195872555 /nfs/dbraw/zinc/87/25/55/1195872555.db2.gz RKCYIXABTSKBNK-INIZCTEOSA-N 1 0 302.378 3.096 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC001655243161 1195895116 /nfs/dbraw/zinc/89/51/16/1195895116.db2.gz HRIAIBCBHVTNLH-UHFFFAOYSA-N 1 0 313.401 3.471 20 5 DGBDRO CCCN(CC[NH+](CC)CC)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001655359500 1195907729 /nfs/dbraw/zinc/90/77/29/1195907729.db2.gz GASRNPLTEPBTKA-UHFFFAOYSA-N 1 0 319.409 3.029 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001655725301 1195956276 /nfs/dbraw/zinc/95/62/76/1195956276.db2.gz UHSMEJLIWVAGLS-RDJZCZTQSA-N 1 0 306.406 3.444 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1 ZINC001655724200 1195956593 /nfs/dbraw/zinc/95/65/93/1195956593.db2.gz ODFNSTSOJFCMHX-IRXDYDNUSA-N 1 0 323.396 3.366 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC1CCCC1 ZINC001657136734 1196109646 /nfs/dbraw/zinc/10/96/46/1196109646.db2.gz HDCOHSFRMMZRMP-UHFFFAOYSA-N 1 0 308.378 3.042 20 5 DGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001657549082 1196153942 /nfs/dbraw/zinc/15/39/42/1196153942.db2.gz DXJBCTMILBUETM-NEPJUHHUSA-N 1 0 312.797 3.195 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1O ZINC001657756769 1196175687 /nfs/dbraw/zinc/17/56/87/1196175687.db2.gz VPRWDCLFHWIIML-GFCCVEGCSA-N 1 0 316.357 3.202 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccc3nccnc3c2)cccc1[N+](=O)[O-] ZINC001657780008 1196177788 /nfs/dbraw/zinc/17/77/88/1196177788.db2.gz OWVHMHNKKVBPMM-UHFFFAOYSA-N 1 0 308.341 3.136 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2cccc(Cl)c2N)cc1[N+](=O)[O-] ZINC001657839658 1196182402 /nfs/dbraw/zinc/18/24/02/1196182402.db2.gz OPNOFGNJMRNDQB-UHFFFAOYSA-N 1 0 305.765 3.429 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2nccnc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001657984905 1196199237 /nfs/dbraw/zinc/19/92/37/1196199237.db2.gz ZOEWTNNDMRTZNK-GFCCVEGCSA-N 1 0 308.341 3.389 20 5 DGBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001658021965 1196203043 /nfs/dbraw/zinc/20/30/43/1196203043.db2.gz KWWLZHKDYLVUSC-WRSRJMLGSA-N 1 0 312.316 3.330 20 5 DGBDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001658181735 1196222277 /nfs/dbraw/zinc/22/22/77/1196222277.db2.gz GVOMRIDWWVOUAW-OAHLLOKOSA-N 1 0 312.797 3.279 20 5 DGBDRO CC(C)C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)C ZINC001658278772 1196234453 /nfs/dbraw/zinc/23/44/53/1196234453.db2.gz OIWHQDHWWQBZQK-AWEZNQCLSA-N 1 0 320.437 3.404 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)CCC(C)C ZINC001658285271 1196235955 /nfs/dbraw/zinc/23/59/55/1196235955.db2.gz VLBMCAABWIKLFO-IHWMJMDHSA-N 1 0 306.406 3.385 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC001658730090 1196293117 /nfs/dbraw/zinc/29/31/17/1196293117.db2.gz ARSUTBSKPUBORM-DJXGBFBFSA-N 1 0 304.390 3.091 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC001659076294 1196341707 /nfs/dbraw/zinc/34/17/07/1196341707.db2.gz FPKLCTQFAUXBDZ-OAHLLOKOSA-N 1 0 304.390 3.486 20 5 DGBDRO Cc1ccc([C@H](C)CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC001659719290 1196408649 /nfs/dbraw/zinc/40/86/49/1196408649.db2.gz GTUQOGDKDVEAIN-OAHLLOKOSA-N 1 0 313.401 3.472 20 5 DGBDRO Cc1c(C[NH2+]C2(CO)CCCCCCC2)cccc1[N+](=O)[O-] ZINC001659853096 1196421925 /nfs/dbraw/zinc/42/19/25/1196421925.db2.gz HRYUTXGTSHZWSG-UHFFFAOYSA-N 1 0 306.406 3.468 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)C1CCCC1 ZINC001660083171 1196442958 /nfs/dbraw/zinc/44/29/58/1196442958.db2.gz TYUUVLQTCPTECH-YOEHRIQHSA-N 1 0 320.433 3.447 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001660846272 1196533828 /nfs/dbraw/zinc/53/38/28/1196533828.db2.gz MYMQECHNJCIJGK-XJKSGUPXSA-N 1 0 306.431 3.397 20 5 DGBDRO CC(C)[C@@H](O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001661478818 1196610737 /nfs/dbraw/zinc/61/07/37/1196610737.db2.gz SIPXKNRAWCDKLZ-INIZCTEOSA-N 1 0 318.373 3.351 20 5 DGBDRO Cc1c(C[NH2+]CCOc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC001661662591 1196629513 /nfs/dbraw/zinc/62/95/13/1196629513.db2.gz GFPKDYYUZUEJES-UHFFFAOYSA-N 1 0 322.311 3.350 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309558436 1199707220 /nfs/dbraw/zinc/70/72/20/1199707220.db2.gz OCLVCSHVBMXEFL-AWEZNQCLSA-N 1 0 316.332 3.387 20 5 DGBDRO Cc1ccnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165047539 721967454 /nfs/dbraw/zinc/96/74/54/721967454.db2.gz KIQSSEXPWCFTDL-OAHLLOKOSA-N 1 0 318.421 3.143 20 5 DGBDRO Cc1ccnc(N2CC3(CC[NH2+]CC3)c3ccccc32)c1[N+](=O)[O-] ZINC001167071634 1081636617 /nfs/dbraw/zinc/63/66/17/1081636617.db2.gz NGISHEAUNGZWGE-UHFFFAOYSA-N 1 0 324.384 3.071 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001156377798 1081653199 /nfs/dbraw/zinc/65/31/99/1081653199.db2.gz GBJFMWSKDYJUED-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ccc3ccc4cccnc4c3n1)C2 ZINC001156376806 1081654106 /nfs/dbraw/zinc/65/41/06/1081654106.db2.gz UMUCIUOFWZQMKP-OXQOHEQNSA-N 1 0 318.424 3.171 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2cc[nH+]c(N3CCCC3)c2)c1F ZINC001210381744 1081949934 /nfs/dbraw/zinc/94/99/34/1081949934.db2.gz PCJXUPFINBJJOM-UHFFFAOYSA-N 1 0 302.309 3.473 20 5 DGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C1=CCOC1 ZINC001203395419 1082023285 /nfs/dbraw/zinc/02/32/85/1082023285.db2.gz SLNWSMRDLKWSNQ-UHFFFAOYSA-N 1 0 321.380 3.126 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001658290016 1082074378 /nfs/dbraw/zinc/07/43/78/1082074378.db2.gz JKKPSIAOQDNOCB-ZDUSSCGKSA-N 1 0 308.378 3.320 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170294873 1082337309 /nfs/dbraw/zinc/33/73/09/1082337309.db2.gz DUPBSCVBTMJRBP-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC001170296723 1082338437 /nfs/dbraw/zinc/33/84/37/1082338437.db2.gz HWKOJSHRGKQSSE-QWRGUYRKSA-N 1 0 321.402 3.342 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170299731 1082338522 /nfs/dbraw/zinc/33/85/22/1082338522.db2.gz VQNUONBZGJWYRE-IACUBPJLSA-N 1 0 310.369 3.405 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cncc(C)c2)c([N+](=O)[O-])c1 ZINC001170300388 1082338575 /nfs/dbraw/zinc/33/85/75/1082338575.db2.gz ZQIWUIKWYOAGNW-CYBMUJFWSA-N 1 0 315.373 3.028 20 5 DGBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC001170324868 1082346093 /nfs/dbraw/zinc/34/60/93/1082346093.db2.gz TUUFHSGCWWCHRB-HZPDHXFCSA-N 1 0 304.390 3.293 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC001170335472 1082348661 /nfs/dbraw/zinc/34/86/61/1082348661.db2.gz OEPFVPLVWQELOW-CYBMUJFWSA-N 1 0 304.390 3.410 20 5 DGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCNC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001170649459 1083046222 /nfs/dbraw/zinc/04/62/22/1083046222.db2.gz DGVSAVYUMCPIBS-HUUCEWRRSA-N 1 0 319.449 3.397 20 5 DGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@H](C)C2C[NH2+]C2)c1Cl ZINC001218196446 1083073749 /nfs/dbraw/zinc/07/37/49/1083073749.db2.gz VCBJJTJLTFJSAX-SSDOTTSWSA-N 1 0 319.188 3.451 20 5 DGBDRO C[C@H]1CC[C@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218396794 1083167858 /nfs/dbraw/zinc/16/78/58/1083167858.db2.gz ATRCXQXVBJIHDO-CBAPKCEASA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001167778216 1083799592 /nfs/dbraw/zinc/79/95/92/1083799592.db2.gz BZBCGHINUJCAHV-RBSFLKMASA-N 1 0 318.421 3.302 20 5 DGBDRO c1cnc2c(c1)cc(NCC[NH+]1CCSCC1)c1cccnc12 ZINC001167837580 1084161262 /nfs/dbraw/zinc/16/12/62/1084161262.db2.gz SMWPTMQRZFAMSU-UHFFFAOYSA-N 1 0 324.453 3.244 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)c2ccccc21 ZINC001167838842 1084165028 /nfs/dbraw/zinc/16/50/28/1084165028.db2.gz HXEZVYJFNXQJCG-UHFFFAOYSA-N 1 0 317.414 3.209 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC001184501223 1084203322 /nfs/dbraw/zinc/20/33/22/1084203322.db2.gz XIHFGQCXIVFXDC-INIZCTEOSA-N 1 0 313.401 3.488 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001184711674 1084245487 /nfs/dbraw/zinc/24/54/87/1084245487.db2.gz YKSPCUPRNUUGCW-KBPBESRZSA-N 1 0 321.421 3.203 20 5 DGBDRO C[C@H]1CCC[N@H+](CCNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001184839323 1084273566 /nfs/dbraw/zinc/27/35/66/1084273566.db2.gz GJNRTOKUBJKQFI-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001185565319 1084472626 /nfs/dbraw/zinc/47/26/26/1084472626.db2.gz NKVCYURQMKFDLJ-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO C[N@@H+]1CCC[C@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001186360752 1084634658 /nfs/dbraw/zinc/63/46/58/1084634658.db2.gz QJWXTLWXHIMDKX-AWEZNQCLSA-N 1 0 320.396 3.063 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1(C)C ZINC001186793103 1084704316 /nfs/dbraw/zinc/70/43/16/1084704316.db2.gz XQEMDZKTUOHEPV-JKSUJKDBSA-N 1 0 314.389 3.284 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC001186873539 1084711879 /nfs/dbraw/zinc/71/18/79/1084711879.db2.gz YNJFUVSIXAVAMG-KBPBESRZSA-N 1 0 311.332 3.302 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001187233521 1084772419 /nfs/dbraw/zinc/77/24/19/1084772419.db2.gz IIDMTIITOKTJTH-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO C[NH+]1C[C@]2(C)CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001187215090 1084775668 /nfs/dbraw/zinc/77/56/68/1084775668.db2.gz AMRIMDXAVGHEFM-HUUCEWRRSA-N 1 0 309.797 3.026 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCCC[NH+]2CCCCC2)n1 ZINC001187438367 1084802964 /nfs/dbraw/zinc/80/29/64/1084802964.db2.gz SZWHYLAZZRNFKJ-UHFFFAOYSA-N 1 0 306.410 3.001 20 5 DGBDRO CC1(Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001168185124 1087032032 /nfs/dbraw/zinc/03/20/32/1087032032.db2.gz DUAXWTRMYBQXHW-UHFFFAOYSA-N 1 0 303.284 3.168 20 5 DGBDRO COc1c(Br)cccc1[C@H](C)OCC[N+](C)(C)C ZINC001224773881 1087446073 /nfs/dbraw/zinc/44/60/73/1087446073.db2.gz MZESZGYFYHSWPX-NSHDSACASA-N 1 0 317.247 3.242 20 5 DGBDRO Cc1cnc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001158265034 1087749493 /nfs/dbraw/zinc/74/94/93/1087749493.db2.gz FGUUTZRABQEUMP-BLLLJJGKSA-N 1 0 306.410 3.254 20 5 DGBDRO CC1(C)C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001158264052 1087749680 /nfs/dbraw/zinc/74/96/80/1087749680.db2.gz ANNNTIBWSBPUSM-ABAIWWIYSA-N 1 0 310.373 3.085 20 5 DGBDRO CC1(C)C[C@H](Nc2ncc([N+](=O)[O-])cc2F)C[C@](C)(C[NH3+])C1 ZINC001158264397 1087749729 /nfs/dbraw/zinc/74/97/29/1087749729.db2.gz BITWBVMLIQFSSU-BONVTDFDSA-N 1 0 310.373 3.085 20 5 DGBDRO O=[N+]([O-])c1cnc(NCC23CC[NH+](CC2)CC3)c2ccccc21 ZINC001158826674 1088054334 /nfs/dbraw/zinc/05/43/34/1088054334.db2.gz GUTAJQHUGSWFJN-UHFFFAOYSA-N 1 0 312.373 3.041 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc([N+](=O)[O-])ccn3)c2c1 ZINC001160004205 1088595032 /nfs/dbraw/zinc/59/50/32/1088595032.db2.gz LFVUXQOEHDYBBF-LBPRGKRZSA-N 1 0 310.357 3.132 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc([N+](=O)[O-])c(C)n3)c2c1 ZINC001160004417 1088598535 /nfs/dbraw/zinc/59/85/35/1088598535.db2.gz OTFLCTFZWXGHDN-LBPRGKRZSA-N 1 0 324.384 3.440 20 5 DGBDRO Cc1cc(NC[C@@H]2CCCC[NH2+]2)nc2ccc([N+](=O)[O-])cc12 ZINC001160144543 1088668988 /nfs/dbraw/zinc/66/89/88/1088668988.db2.gz GPZSGNIPRGKCSA-LBPRGKRZSA-N 1 0 300.362 3.005 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2ccccc2O[C@@H]2CC[NH2+]C2)c1F ZINC001160168054 1088684084 /nfs/dbraw/zinc/68/40/84/1088684084.db2.gz ZMYOQFXWTVHXPO-LLVKDONJSA-N 1 0 317.320 3.218 20 5 DGBDRO O=[N+]([O-])c1ccccc1Nc1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC001160217864 1088703723 /nfs/dbraw/zinc/70/37/23/1088703723.db2.gz CDQYANQKAXWWRX-HNNXBMFYSA-N 1 0 313.357 3.469 20 5 DGBDRO Cc1ccc(Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)c([N+](=O)[O-])c1 ZINC001160399788 1088785092 /nfs/dbraw/zinc/78/50/92/1088785092.db2.gz NJXZTNLAOUYCQQ-BZNIZROVSA-N 1 0 311.341 3.095 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(-n2ccc3cccc(C[NH3+])c32)nc1Cl ZINC001160456659 1088814145 /nfs/dbraw/zinc/81/41/45/1088814145.db2.gz QATKWEYIPUDEGO-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001154984171 1088871373 /nfs/dbraw/zinc/87/13/73/1088871373.db2.gz DMKCOCUPPXFLOS-NXEZZACHSA-N 1 0 320.780 3.478 20 5 DGBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c1 ZINC001155347869 1089078053 /nfs/dbraw/zinc/07/80/53/1089078053.db2.gz HUEYKMVSHPKKKW-JTQLQIEISA-N 1 0 321.340 3.435 20 5 DGBDRO Cc1c(C)c(N[C@H]2CC[N@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001161186566 1089147405 /nfs/dbraw/zinc/14/74/05/1089147405.db2.gz PCQNSTUFNPIPCV-HNNXBMFYSA-N 1 0 318.421 3.283 20 5 DGBDRO Cc1c(C)n(-c2ncc(F)cc2[N+](=O)[O-])c2ccc(C[NH3+])cc12 ZINC001155903182 1089295913 /nfs/dbraw/zinc/29/59/13/1089295913.db2.gz JVJYMAKOYMOENS-UHFFFAOYSA-N 1 0 314.320 3.148 20 5 DGBDRO Cc1c(C)n(-c2nccc(C)c2[N+](=O)[O-])c2ccc(C[NH3+])cc12 ZINC001155903151 1089296148 /nfs/dbraw/zinc/29/61/48/1089296148.db2.gz INUKTWOJUVBVRQ-UHFFFAOYSA-N 1 0 310.357 3.318 20 5 DGBDRO C[C@H](C[NH+](C)C)Nc1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001155916591 1089299420 /nfs/dbraw/zinc/29/94/20/1089299420.db2.gz OJGKPOGNBFFNAY-SECBINFHSA-N 1 0 308.769 3.158 20 5 DGBDRO C[NH+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2Cl)c1 ZINC001156044857 1089361926 /nfs/dbraw/zinc/36/19/26/1089361926.db2.gz UOKCGWPLYGXCRU-UHFFFAOYSA-N 1 0 320.780 3.317 20 5 DGBDRO CC1CC[NH+](CCCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001162010532 1089523453 /nfs/dbraw/zinc/52/34/53/1089523453.db2.gz PSIIBWNFXHWBCY-UHFFFAOYSA-N 1 0 313.348 3.407 20 5 DGBDRO O=[N+]([O-])c1ccnc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC001156522525 1089560329 /nfs/dbraw/zinc/56/03/29/1089560329.db2.gz BLMXUKSAWUYWRD-INIZCTEOSA-N 1 0 312.373 3.239 20 5 DGBDRO Cc1cc(NC2C[NH+](C(C)(C)C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001162221044 1089614713 /nfs/dbraw/zinc/61/47/13/1089614713.db2.gz FSUVHVQMBLCCRQ-UHFFFAOYSA-N 1 0 314.389 3.346 20 5 DGBDRO CC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC001162225368 1089617171 /nfs/dbraw/zinc/61/71/71/1089617171.db2.gz AKJMNPSCEJZMDX-UHFFFAOYSA-N 1 0 313.348 3.453 20 5 DGBDRO C[N@@H+]1CCC[C@@](C)(Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001162338238 1089677856 /nfs/dbraw/zinc/67/78/56/1089677856.db2.gz ZMBSIZIIEIIDBQ-MRXNPFEDSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001162452529 1089737355 /nfs/dbraw/zinc/73/73/55/1089737355.db2.gz FXGXBUPZIFYWJF-QWHCGFSZSA-N 1 0 320.437 3.335 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@@H]21 ZINC001157264561 1089894439 /nfs/dbraw/zinc/89/44/39/1089894439.db2.gz FIGKAIBYOPJEQV-SJORKVTESA-N 1 0 318.424 3.313 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC001162847464 1089991150 /nfs/dbraw/zinc/99/11/50/1089991150.db2.gz QSZOSEHEUYNJTI-CYBMUJFWSA-N 1 0 320.352 3.165 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC001162855170 1089994912 /nfs/dbraw/zinc/99/49/12/1089994912.db2.gz ZJCITVCZTVLMMG-ZDUSSCGKSA-N 1 0 320.352 3.165 20 5 DGBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc3c(n2)[nH]cc3[N+](=O)[O-])c1 ZINC001162900501 1090014637 /nfs/dbraw/zinc/01/46/37/1090014637.db2.gz XIEQGQKXKARELI-JTQLQIEISA-N 1 0 321.340 3.435 20 5 DGBDRO CC1([NH+]2CCCC2)CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001157652369 1090056617 /nfs/dbraw/zinc/05/66/17/1090056617.db2.gz MLQAPVNWAHECME-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC001163035035 1090058538 /nfs/dbraw/zinc/05/85/38/1090058538.db2.gz BMAJLTFTNGDGJV-UHFFFAOYSA-N 1 0 315.805 3.056 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001163040492 1090060890 /nfs/dbraw/zinc/06/08/90/1090060890.db2.gz MZEJVJCJFBMRIC-UHFFFAOYSA-N 1 0 305.382 3.181 20 5 DGBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001163070553 1090069812 /nfs/dbraw/zinc/06/98/12/1090069812.db2.gz YMYKPLYYMVHZQJ-UHFFFAOYSA-N 1 0 301.337 3.310 20 5 DGBDRO COc1cccc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001163215314 1090118215 /nfs/dbraw/zinc/11/82/15/1090118215.db2.gz KENYBFKMCNFVMB-CJNGLKHVSA-N 1 0 313.357 3.119 20 5 DGBDRO C[NH+](C)CC1CCC(Nc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001163296829 1090142566 /nfs/dbraw/zinc/14/25/66/1090142566.db2.gz VPFHGBGFRWDEPK-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO C[NH+](C)CC1CCC(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001163301534 1090143703 /nfs/dbraw/zinc/14/37/03/1090143703.db2.gz HVHHKEZJJLTTIY-UHFFFAOYSA-N 1 0 317.393 3.003 20 5 DGBDRO [NH3+]CCON=c1cnc2c3ccccc3c3ccccc3c2[nH]1 ZINC001164415522 1090421448 /nfs/dbraw/zinc/42/14/48/1090421448.db2.gz ZZDQBOGEIPOJQW-UHFFFAOYSA-N 1 0 304.353 3.238 20 5 DGBDRO Clc1ccc2ccc3ccc(N4CCC[C@@H]5[NH2+]C[C@H]54)nc3c2n1 ZINC001165391674 1090513877 /nfs/dbraw/zinc/51/38/77/1090513877.db2.gz IFEGQVBXZJPTIW-UONOGXRCSA-N 1 0 324.815 3.377 20 5 DGBDRO [NH3+]CC[C@H]1CN(c2c(Cl)nccc2[N+](=O)[O-])c2ccccc21 ZINC001168546246 1090529921 /nfs/dbraw/zinc/52/99/21/1090529921.db2.gz VBZQPBTZJWSLMQ-JTQLQIEISA-N 1 0 318.764 3.227 20 5 DGBDRO Cc1c(N[C@H]2CCCC[C@@H]2[NH+](C)C)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168601003 1090599246 /nfs/dbraw/zinc/59/92/46/1090599246.db2.gz GHVNENYQEMGBTB-STQMWFEESA-N 1 0 322.365 3.096 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2ccc(N(C)C)cc2[N+](=O)[O-])CC1 ZINC001166623751 1090631409 /nfs/dbraw/zinc/63/14/09/1090631409.db2.gz UPKCRMOSPLPJHR-UHFFFAOYSA-N 1 0 320.437 3.193 20 5 DGBDRO Cc1cccn2c(C[NH2+][C@H](C)c3ccccc3[N+](=O)[O-])cnc12 ZINC001203559171 1090755625 /nfs/dbraw/zinc/75/56/25/1090755625.db2.gz DYVZGKNFUCBUPN-CYBMUJFWSA-N 1 0 310.357 3.402 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001168762921 1091358009 /nfs/dbraw/zinc/35/80/09/1091358009.db2.gz AYBROPPBEKUKDY-UHFFFAOYSA-N 1 0 308.426 3.287 20 5 DGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N(CCC[NH3+])C(C)C ZINC001164127403 1091397504 /nfs/dbraw/zinc/39/75/04/1091397504.db2.gz VICPWQGTAJEPBU-UHFFFAOYSA-N 1 0 315.801 3.129 20 5 DGBDRO CCC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307182669 1091492580 /nfs/dbraw/zinc/49/25/80/1091492580.db2.gz NKENCCFNWPPGBW-UHFFFAOYSA-N 1 0 303.406 3.440 20 5 DGBDRO CC[C@@H]([NH3+])Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001206168910 1091517912 /nfs/dbraw/zinc/51/79/12/1091517912.db2.gz LQQYMKMXWLBBLS-CYBMUJFWSA-N 1 0 319.368 3.113 20 5 DGBDRO CCOc1cc(NCC[N@@H+]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC001307229639 1091847848 /nfs/dbraw/zinc/84/78/48/1091847848.db2.gz KZZFADOMIQCVEJ-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO CC(C)(C)CCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001168789153 1092346947 /nfs/dbraw/zinc/34/69/47/1092346947.db2.gz JIGBVAYNUQULFH-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)C1 ZINC001168976574 1092457467 /nfs/dbraw/zinc/45/74/67/1092457467.db2.gz DQWGRONHXUVQCL-MHORFTMASA-N 1 0 318.417 3.159 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2F)C1 ZINC001168978306 1092458696 /nfs/dbraw/zinc/45/86/96/1092458696.db2.gz RAEXGEOIWOXLPU-SCZZXKLOSA-N 1 0 304.724 3.153 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccn3)cc2)C1 ZINC001168985669 1092462125 /nfs/dbraw/zinc/46/21/25/1092462125.db2.gz UUTKKLSKXBAIMJ-WBVHZDCISA-N 1 0 311.385 3.284 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC001168984964 1092462569 /nfs/dbraw/zinc/46/25/69/1092462569.db2.gz BPOJZBZIEDXTAN-MFKMUULPSA-N 1 0 300.761 3.057 20 5 DGBDRO CC(C)(C[NH3+])c1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168984781 1092462736 /nfs/dbraw/zinc/46/27/36/1092462736.db2.gz AGQGGCPGVYGVOW-KBPBESRZSA-N 1 0 315.417 3.496 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCOc2ccc(Cl)cc2)C1 ZINC001168965581 1092468907 /nfs/dbraw/zinc/46/89/07/1092468907.db2.gz AUUZDADFWSUQDS-JSGCOSHPSA-N 1 0 312.797 3.144 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)C1 ZINC001168968069 1092470053 /nfs/dbraw/zinc/47/00/53/1092470053.db2.gz VGHJJCUSOUXSRT-OLMNPRSZSA-N 1 0 311.385 3.206 20 5 DGBDRO COc1ccc(CC(C)(C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168997290 1092478467 /nfs/dbraw/zinc/47/84/67/1092478467.db2.gz YNDUTJNWYBEPFI-CABCVRRESA-N 1 0 306.406 3.051 20 5 DGBDRO Cc1ccccc1CC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997093 1092479323 /nfs/dbraw/zinc/47/93/23/1092479323.db2.gz XNWLQTIIBBODPQ-RDJZCZTQSA-N 1 0 302.418 3.353 20 5 DGBDRO COc1ccc(CC2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCC2)cc1 ZINC001168996988 1092479506 /nfs/dbraw/zinc/47/95/06/1092479506.db2.gz AOKORTRWQVXJKO-JKSUJKDBSA-N 1 0 318.417 3.195 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(Cl)cn2)C2CC2)C1 ZINC001169002313 1092480804 /nfs/dbraw/zinc/48/08/04/1092480804.db2.gz KQNAURCKGSKJQN-DGFSRKRXSA-N 1 0 309.797 3.221 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cccc(Cl)c2F)C1 ZINC001169000649 1092481418 /nfs/dbraw/zinc/48/14/18/1092481418.db2.gz YKXSGOZCHXTEPI-JQWIXIFHSA-N 1 0 300.761 3.057 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC001168986566 1092489823 /nfs/dbraw/zinc/48/98/23/1092489823.db2.gz XKHNTTQPSGLWOE-POOIEITISA-N 1 0 308.344 3.390 20 5 DGBDRO Cc1ccc2c(c1)c1c(n2[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC[NH2+]C1 ZINC001169027823 1092492673 /nfs/dbraw/zinc/49/26/73/1092492673.db2.gz QVHTTWGWKGTMNB-KBPBESRZSA-N 1 0 313.401 3.213 20 5 DGBDRO Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169029706 1092494856 /nfs/dbraw/zinc/49/48/56/1092494856.db2.gz VJDSIVPTOCVSDM-IXDOHACOSA-N 1 0 318.417 3.284 20 5 DGBDRO COC1(c2ccccc2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037044 1092498399 /nfs/dbraw/zinc/49/83/99/1092498399.db2.gz HZOFIMLRTQUUAH-DOTOQJQBSA-N 1 0 318.417 3.070 20 5 DGBDRO C[NH2+]CCc1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001169046320 1092506522 /nfs/dbraw/zinc/50/65/22/1092506522.db2.gz KLGNITXTRHTZTM-UKRRQHHQSA-N 1 0 301.390 3.021 20 5 DGBDRO Nc1ccc(Nc2c[nH+]ccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC001209934630 1092987278 /nfs/dbraw/zinc/98/72/78/1092987278.db2.gz QDWCTVYBKJDNJV-UHFFFAOYSA-N 1 0 313.361 3.306 20 5 DGBDRO Cc1cc(N)[nH+]cc1Nc1cc2nc3ccccc3nc2cc1N ZINC001209967287 1092997655 /nfs/dbraw/zinc/99/76/55/1092997655.db2.gz MVEXAJDVDUOBNM-UHFFFAOYSA-N 1 0 316.368 3.394 20 5 DGBDRO COC[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCN1 ZINC001210052090 1093028864 /nfs/dbraw/zinc/02/88/64/1093028864.db2.gz VVZOQJHAOUMCHA-GOSISDBHSA-N 1 0 320.436 3.413 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1Nc1cc[nH+]c(N2CCCC2)c1 ZINC001210444139 1093167506 /nfs/dbraw/zinc/16/75/06/1093167506.db2.gz KIYBRGOBFKSBRQ-UHFFFAOYSA-N 1 0 314.345 3.342 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001211287434 1093444360 /nfs/dbraw/zinc/44/43/60/1093444360.db2.gz LSQOGVSZQVVDTP-UHFFFAOYSA-N 1 0 315.377 3.110 20 5 DGBDRO Cc1cc(F)ncc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001120039930 1094360468 /nfs/dbraw/zinc/36/04/68/1094360468.db2.gz NTQWRZSJOOPRKZ-UHFFFAOYSA-N 1 0 303.337 3.462 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217943880 1094523037 /nfs/dbraw/zinc/52/30/37/1094523037.db2.gz BXKFJZFKHKXOBY-MWLCHTKSSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1c(O[C@@H]2CCC[NH2+]C[C@@H]2F)ccc2ccccc21 ZINC001217945440 1094525084 /nfs/dbraw/zinc/52/50/84/1094525084.db2.gz DECVVEKJUUMWJN-UONOGXRCSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C[C@H]2F)ccc1C(F)(F)F ZINC001217950148 1094526987 /nfs/dbraw/zinc/52/69/87/1094526987.db2.gz XYFUTQLCDKBGTE-ZYHUDNBSSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC[C@@H]2F)c2ccccc21 ZINC001217977899 1094538736 /nfs/dbraw/zinc/53/87/36/1094538736.db2.gz ORPYTOCCCJINJE-BBRMVZONSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC[C@@H]2F)c(Cl)c1Cl ZINC001217979831 1094539584 /nfs/dbraw/zinc/53/95/84/1094539584.db2.gz IHHJIRUEHVPJTG-XVKPBYJWSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c(Cl)c1Cl ZINC001217979829 1094540737 /nfs/dbraw/zinc/54/07/37/1094540737.db2.gz IHHJIRUEHVPJTG-OIBJUYFYSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217980469 1094540856 /nfs/dbraw/zinc/54/08/56/1094540856.db2.gz YVBXKWODVWXBBA-UKRRQHHQSA-N 1 0 304.321 3.217 20 5 DGBDRO C[C@@H](Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001218003548 1094553461 /nfs/dbraw/zinc/55/34/61/1094553461.db2.gz XWICIZSGKUIKKM-SECBINFHSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H](Oc1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001218004689 1094553569 /nfs/dbraw/zinc/55/35/69/1094553569.db2.gz GEPDHQGODIHLDC-VIFPVBQESA-N 1 0 318.295 3.381 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001135494947 1094553921 /nfs/dbraw/zinc/55/39/21/1094553921.db2.gz OMDNOEWASOZRCV-CQSZACIVSA-N 1 0 319.405 3.271 20 5 DGBDRO CC(C)CCCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001135501400 1094558402 /nfs/dbraw/zinc/55/84/02/1094558402.db2.gz RUJPBJJCVPKDLS-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CC[NH2+]CC[C@@H]2F)c(Cl)c1 ZINC001218015716 1094561247 /nfs/dbraw/zinc/56/12/47/1094561247.db2.gz MPLSWYWOLUKOSU-QWRGUYRKSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]CC[C@H]2F)c(Cl)c1Cl ZINC001218018062 1094561918 /nfs/dbraw/zinc/56/19/18/1094561918.db2.gz LSOLYQZKYHYZIY-APPZFPTMSA-N 1 0 323.151 3.371 20 5 DGBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4C[NH2+]CCOC4)c3c2n1 ZINC001218047573 1094576011 /nfs/dbraw/zinc/57/60/11/1094576011.db2.gz UGARQQCISRQJLN-MRXNPFEDSA-N 1 0 322.408 3.372 20 5 DGBDRO C[C@@H]1C[C@@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC001218052837 1094578654 /nfs/dbraw/zinc/57/86/54/1094578654.db2.gz DWXRPRSUKLGZCM-APPZFPTMSA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@@H]1C[C@@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218056220 1094579349 /nfs/dbraw/zinc/57/93/49/1094579349.db2.gz MIUYCLNNAADIJA-BDAKNGLRSA-N 1 0 320.267 3.013 20 5 DGBDRO Cc1cc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Cl ZINC001218097283 1094601077 /nfs/dbraw/zinc/60/10/77/1094601077.db2.gz SLOGFEYIJBRYKU-HUUCEWRRSA-N 1 0 310.781 3.468 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(O[C@@H]3CCC[C@@]34CC[NH2+]C4)nc21 ZINC001218096796 1094601359 /nfs/dbraw/zinc/60/13/59/1094601359.db2.gz SRHZZUSVWKLZSU-PBHICJAKSA-N 1 0 313.357 3.054 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(OC3CC4(C3)CC[NH2+]CC4)sc2c1 ZINC001218102827 1094604680 /nfs/dbraw/zinc/60/46/80/1094604680.db2.gz GEBFVLLBXNNRRC-UHFFFAOYSA-N 1 0 319.386 3.116 20 5 DGBDRO O=c1oc2cc(O[C@H]3CC[C@@]34CC[NH2+]C4)ccc2c2ccccc21 ZINC001218113496 1094610134 /nfs/dbraw/zinc/61/01/34/1094610134.db2.gz AIQVYQRGHAZTPH-ICSRJNTNSA-N 1 0 321.376 3.467 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@@]23CC[NH2+]C3)c(C(F)(F)F)c1 ZINC001218114658 1094612244 /nfs/dbraw/zinc/61/22/44/1094612244.db2.gz KIVGEEDFXSKINR-STQMWFEESA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[C@@]23CC[NH2+]C3)cc(C(F)(F)F)c1 ZINC001218116342 1094615371 /nfs/dbraw/zinc/61/53/71/1094615371.db2.gz JJCIGSMNXRDFKQ-STQMWFEESA-N 1 0 316.279 3.135 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3CC[C@@H]4[NH2+]CCO[C@@H]34)cc2c1 ZINC001218127219 1094621976 /nfs/dbraw/zinc/62/19/76/1094621976.db2.gz NRGYBHUWGWKZMA-ILZDJORESA-N 1 0 320.392 3.286 20 5 DGBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001218127756 1094623383 /nfs/dbraw/zinc/62/33/83/1094623383.db2.gz CETRPDQVGXFNTG-IPMKNSEASA-N 1 0 320.392 3.286 20 5 DGBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1CC[NH2+][C@H]2CCO[C@@H]21 ZINC001218162451 1094638417 /nfs/dbraw/zinc/63/84/17/1094638417.db2.gz ATINUNJUZQEOQL-OTWHNJEPSA-N 1 0 320.392 3.286 20 5 DGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2CC[NH2+]C2)c1Cl ZINC001218180171 1094644188 /nfs/dbraw/zinc/64/41/88/1094644188.db2.gz KKOIJFODWAEJAG-ZETCQYMHSA-N 1 0 305.161 3.205 20 5 DGBDRO Cc1cc(C)c2ccc3cccc(OC[C@H]4C[NH2+]CCO4)c3c2n1 ZINC001218178022 1094644818 /nfs/dbraw/zinc/64/48/18/1094644818.db2.gz TZACZXNJOOXPTP-MRXNPFEDSA-N 1 0 322.408 3.372 20 5 DGBDRO c1ccc2nc3cc(O[C@H]4C[C@H]5[NH2+]CC[C@H]5C4)ccc3nc2c1 ZINC001218252722 1094682346 /nfs/dbraw/zinc/68/23/46/1094682346.db2.gz UUNWNVHYZDECCT-WPKBUWHJSA-N 1 0 305.381 3.302 20 5 DGBDRO c1ccc2nc3c(cccc3OC[C@@H]3C[NH2+]CCCO3)cc2c1 ZINC001218301094 1094704134 /nfs/dbraw/zinc/70/41/34/1094704134.db2.gz XPNKHDKKXGNURQ-INIZCTEOSA-N 1 0 308.381 3.145 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1C[C@@H]2C[NH2+]C[C@@H]12 ZINC001218326900 1094718555 /nfs/dbraw/zinc/71/85/55/1094718555.db2.gz QKZWTOWHHBNXFZ-IIDMSEBBSA-N 1 0 310.353 3.249 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC23CC3)cc(C(F)(F)F)c1 ZINC001218403492 1094754999 /nfs/dbraw/zinc/75/49/99/1094754999.db2.gz JFCCTHUAFBIWJV-LBPRGKRZSA-N 1 0 316.279 3.135 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@H]3C[NH2+]CCC34CC4)ccc21 ZINC001218405060 1094756844 /nfs/dbraw/zinc/75/68/44/1094756844.db2.gz MXLFOVUBHXUAFJ-SFHVURJKSA-N 1 0 321.376 3.467 20 5 DGBDRO C[C@H]1CC[C@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218407403 1094757588 /nfs/dbraw/zinc/75/75/88/1094757588.db2.gz MAZPRNLUWSTNHP-ZFWWWQNUSA-N 1 0 319.405 3.104 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001218412790 1094761724 /nfs/dbraw/zinc/76/17/24/1094761724.db2.gz GIJKPONRFDFKKD-CPCISQLKSA-N 1 0 305.161 3.278 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001218413009 1094762176 /nfs/dbraw/zinc/76/21/76/1094762176.db2.gz DKMCCDVBTPPSOI-WRWORJQWSA-N 1 0 305.161 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218443977 1094778379 /nfs/dbraw/zinc/77/83/79/1094778379.db2.gz DPCAQLCOYMJQRS-KNBVPPQFSA-N 1 0 303.145 3.031 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)cc1Cl ZINC001218474286 1094797100 /nfs/dbraw/zinc/79/71/00/1094797100.db2.gz UPYNVRDJJSMQLI-RGNHYFCHSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1C[C@H]2C[NH2+][C@@H]1C2 ZINC001218488092 1094814085 /nfs/dbraw/zinc/81/40/85/1094814085.db2.gz DIOAAGCLLSOILK-PTHKFVFGSA-N 1 0 303.145 3.031 20 5 DGBDRO O=C(CC1CC[NH2+]CC1)Nc1cc2cccnc2c2ncccc12 ZINC001218979780 1094920027 /nfs/dbraw/zinc/92/00/27/1094920027.db2.gz YFKUUYIFSFJPKM-UHFFFAOYSA-N 1 0 320.396 3.111 20 5 DGBDRO CCCNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001220234593 1095068223 /nfs/dbraw/zinc/06/82/23/1095068223.db2.gz MACJWSTXBFFJCM-IBGZPJMESA-N 1 0 306.409 3.389 20 5 DGBDRO C[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001337914512 1095137321 /nfs/dbraw/zinc/13/73/21/1095137321.db2.gz MWVSSVSIAFFFTD-OLZOCXBDSA-N 1 0 318.421 3.242 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001116030028 1095440489 /nfs/dbraw/zinc/44/04/89/1095440489.db2.gz ADWIXOLQEDROOU-DOTOQJQBSA-N 1 0 314.389 3.428 20 5 DGBDRO CS[C@H]1CC[C@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC001116145496 1095468851 /nfs/dbraw/zinc/46/88/51/1095468851.db2.gz GYXNVBVPBLSIGL-JSGCOSHPSA-N 1 0 320.418 3.118 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC001116478406 1095570651 /nfs/dbraw/zinc/57/06/51/1095570651.db2.gz HVOJMUXTYBFIKD-FRFSOERESA-N 1 0 304.390 3.140 20 5 DGBDRO CCOC(=O)[C@H](O[C@H](C)C[N+](C)(C)C)c1cccc(Cl)c1 ZINC001222883536 1095780058 /nfs/dbraw/zinc/78/00/58/1095780058.db2.gz KNCWPWTZNAQQLH-IUODEOHRSA-N 1 0 314.833 3.056 20 5 DGBDRO CC(C)(C)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001117794117 1095863348 /nfs/dbraw/zinc/86/33/48/1095863348.db2.gz CJTFLQNUKJQJCR-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1ccc(CO[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC001223221563 1095908022 /nfs/dbraw/zinc/90/80/22/1095908022.db2.gz GCSHGPGTHBBLMJ-SCAQPMJSSA-N 1 0 304.390 3.150 20 5 DGBDRO C[NH2+][C@H](C)CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001118122367 1095937952 /nfs/dbraw/zinc/93/79/52/1095937952.db2.gz VCBCZOPBEQGEHT-RDTXWAMCSA-N 1 0 313.401 3.272 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1CO[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001223539442 1095995731 /nfs/dbraw/zinc/99/57/31/1095995731.db2.gz RUNDGXNNRVNONW-XOIINTDNSA-N 1 0 304.390 3.150 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001118486546 1096020941 /nfs/dbraw/zinc/02/09/41/1096020941.db2.gz HBWOGNXDZTVDSH-VBNZEHGJSA-N 1 0 321.421 3.127 20 5 DGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])C2 ZINC001225490066 1096447104 /nfs/dbraw/zinc/44/71/04/1096447104.db2.gz FNGZSFFNAGJLMF-IMRBUKKESA-N 1 0 306.362 3.083 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])c(OC2CC[NH+](C(C)(C)C)CC2)c1 ZINC001225807299 1096535055 /nfs/dbraw/zinc/53/50/55/1096535055.db2.gz WMTMVDNGPKSQKW-UHFFFAOYSA-N 1 0 320.389 3.439 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001226007535 1096587392 /nfs/dbraw/zinc/58/73/92/1096587392.db2.gz PIGSKRWWJPYXQI-AWEZNQCLSA-N 1 0 316.332 3.387 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226312839 1096659579 /nfs/dbraw/zinc/65/95/79/1096659579.db2.gz FMDNMWSYQPFLJQ-LLVKDONJSA-N 1 0 318.295 3.477 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1O[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001226762451 1096769592 /nfs/dbraw/zinc/76/95/92/1096769592.db2.gz UYNKJOZYTCDVDT-INIZCTEOSA-N 1 0 315.373 3.370 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2cccc(Br)c21 ZINC001226922321 1096817484 /nfs/dbraw/zinc/81/74/84/1096817484.db2.gz OCXHRNRXCMZZSV-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001226970615 1096829958 /nfs/dbraw/zinc/82/99/58/1096829958.db2.gz AOUXYBQRADPCJH-UHFFFAOYSA-N 1 0 313.357 3.346 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2sc3c(c21)CCCC3 ZINC001227089014 1096864957 /nfs/dbraw/zinc/86/49/57/1096864957.db2.gz JUPQXBBHVRFWEZ-NSHDSACASA-N 1 0 306.455 3.044 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2sc3c(c21)CCCC3 ZINC001227089013 1096865165 /nfs/dbraw/zinc/86/51/65/1096865165.db2.gz JUPQXBBHVRFWEZ-LLVKDONJSA-N 1 0 306.455 3.044 20 5 DGBDRO COC(=O)c1ccc2cc(O[C@H](C)C[N+](C)(C)C)ccc2c1 ZINC001227153135 1096881317 /nfs/dbraw/zinc/88/13/17/1096881317.db2.gz SZEOIKIENJPMNJ-CYBMUJFWSA-N 1 0 302.394 3.100 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227159024 1096883252 /nfs/dbraw/zinc/88/32/52/1096883252.db2.gz ZPYZDBBINIZZFJ-SECBINFHSA-N 1 0 302.733 3.250 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cccc(Br)c2n1 ZINC001227287560 1096911551 /nfs/dbraw/zinc/91/15/51/1096911551.db2.gz PTQDLYZIMWSDSH-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO COc1cc(Br)c(F)cc1O[C@H](C)C[N+](C)(C)C ZINC001227606302 1096959089 /nfs/dbraw/zinc/95/90/89/1096959089.db2.gz FBLNULJWUIJCGD-SECBINFHSA-N 1 0 321.210 3.070 20 5 DGBDRO COc1ccc(OC(F)(F)F)cc1O[C@H](C)C[N+](C)(C)C ZINC001227864826 1097003189 /nfs/dbraw/zinc/00/31/89/1097003189.db2.gz FHAXZYQGVIZAPX-SNVBAGLBSA-N 1 0 308.320 3.067 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228017204 1097033139 /nfs/dbraw/zinc/03/31/39/1097033139.db2.gz UNSCSNRUIALSRQ-LLVKDONJSA-N 1 0 300.305 3.125 20 5 DGBDRO CC(=O)c1c(Br)cccc1O[C@H](C)C[N+](C)(C)C ZINC001228077329 1097045558 /nfs/dbraw/zinc/04/55/58/1097045558.db2.gz QJOQPWZROHHPAJ-SNVBAGLBSA-N 1 0 315.231 3.125 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccnc2c(Br)cccc12 ZINC001228120698 1097054631 /nfs/dbraw/zinc/05/46/31/1097054631.db2.gz CGCNFOHRUSXVFK-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC001228209417 1097074739 /nfs/dbraw/zinc/07/47/39/1097074739.db2.gz PYAAIFIVLGNSRN-NSHDSACASA-N 1 0 307.375 3.068 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001228209767 1097074816 /nfs/dbraw/zinc/07/48/16/1097074816.db2.gz YNTMNNVCFHYFBL-JTQLQIEISA-N 1 0 309.391 3.314 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228614596 1097153299 /nfs/dbraw/zinc/15/32/99/1097153299.db2.gz WEPVJEKDXASCIE-LLVKDONJSA-N 1 0 300.305 3.125 20 5 DGBDRO CC(=O)c1cccc([N+](=O)[O-])c1OC1CC[NH+](C(C)(C)C)CC1 ZINC001228976465 1097229837 /nfs/dbraw/zinc/22/98/37/1097229837.db2.gz DKAGDMLMRKPNJY-UHFFFAOYSA-N 1 0 320.389 3.439 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nc1 ZINC001172896870 1097266505 /nfs/dbraw/zinc/26/65/05/1097266505.db2.gz TURMBMHDHDBQJG-MRXNPFEDSA-N 1 0 311.385 3.335 20 5 DGBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172897877 1097267445 /nfs/dbraw/zinc/26/74/45/1097267445.db2.gz CTDGXTYWRUTEBY-KRWDZBQOSA-N 1 0 324.380 3.315 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H]3C[C@@H]3[C@H](F)C1)CC2 ZINC001172902416 1097268097 /nfs/dbraw/zinc/26/80/97/1097268097.db2.gz BGXXFDSNVBRFMJ-NXNVCVFFSA-N 1 0 304.365 3.132 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccnc(F)c1)CC2 ZINC001172903400 1097269081 /nfs/dbraw/zinc/26/90/81/1097269081.db2.gz QWQTVXFZHRNHMR-HNNXBMFYSA-N 1 0 315.348 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCC1CCOCC1)CC2 ZINC001172895928 1097278121 /nfs/dbraw/zinc/27/81/21/1097278121.db2.gz JNLATNUHJBRPMJ-KRWDZBQOSA-N 1 0 318.417 3.249 20 5 DGBDRO CO[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172916454 1097279276 /nfs/dbraw/zinc/27/92/76/1097279276.db2.gz RVRBWNFGRQFJTD-AEFFLSMTSA-N 1 0 318.417 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCn3cccc3C1)CC2 ZINC001172916450 1097279372 /nfs/dbraw/zinc/27/93/72/1097279372.db2.gz RVKQGPYBHZRBLM-INIZCTEOSA-N 1 0 311.385 3.160 20 5 DGBDRO CCCO[C@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917844 1097280363 /nfs/dbraw/zinc/28/03/63/1097280363.db2.gz XLPIKBQGTPGQJC-WMZOPIPTSA-N 1 0 318.417 3.343 20 5 DGBDRO C[N@H+](Cc1cscn1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172920212 1097280864 /nfs/dbraw/zinc/28/08/64/1097280864.db2.gz IZXZXUPQFGUBDF-OAHLLOKOSA-N 1 0 317.414 3.431 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1Cc3cccnc3C1)CC2 ZINC001172909438 1097291611 /nfs/dbraw/zinc/29/16/11/1097291611.db2.gz RTSMAUQDCICRRB-MRXNPFEDSA-N 1 0 309.369 3.253 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(F)cn1)CC2 ZINC001172913486 1097293474 /nfs/dbraw/zinc/29/34/74/1097293474.db2.gz WCZMAMQXIWDBFQ-HNNXBMFYSA-N 1 0 315.348 3.166 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)c1F ZINC001173175656 1097355620 /nfs/dbraw/zinc/35/56/20/1097355620.db2.gz CFRMTKUSOXWKCB-AXFHLTTASA-N 1 0 314.332 3.154 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC=CCC2)c1F ZINC001173177513 1097356177 /nfs/dbraw/zinc/35/61/77/1097356177.db2.gz BBZCSUWHIAUZNT-RYUDHWBXSA-N 1 0 308.353 3.372 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CC=CCC2)c1F ZINC001173177514 1097356259 /nfs/dbraw/zinc/35/62/59/1097356259.db2.gz BBZCSUWHIAUZNT-VXGBXAGGSA-N 1 0 308.353 3.372 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC(=[NH2+])C(C)(C)C)c1F ZINC001173177979 1097356343 /nfs/dbraw/zinc/35/63/43/1097356343.db2.gz ZCIMHVAWPBPBIN-SECBINFHSA-N 1 0 311.357 3.286 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC2CCC2)c1F ZINC001173183642 1097356929 /nfs/dbraw/zinc/35/69/29/1097356929.db2.gz CPGRMRJZXICAIX-LLVKDONJSA-N 1 0 310.369 3.453 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ocnc2c1 ZINC001173217770 1097368989 /nfs/dbraw/zinc/36/89/89/1097368989.db2.gz FUPMQDMUGWYZCI-GFCCVEGCSA-N 1 0 311.341 3.457 20 5 DGBDRO CCCc1cc(C[NH3+])nn1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217976 1097369302 /nfs/dbraw/zinc/36/93/02/1097369302.db2.gz HZQXTZIAWSGWJU-GFCCVEGCSA-N 1 0 302.378 3.006 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001173218200 1097369495 /nfs/dbraw/zinc/36/94/95/1097369495.db2.gz PDRODBSPRXYCLW-LLVKDONJSA-N 1 0 316.336 3.065 20 5 DGBDRO COc1cc(F)cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173220163 1097371380 /nfs/dbraw/zinc/37/13/80/1097371380.db2.gz VCDTXJNPGLXYIW-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2ncoc21 ZINC001173220236 1097371402 /nfs/dbraw/zinc/37/14/02/1097371402.db2.gz WIARTNPXPULFAD-LBPRGKRZSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](C)(O)[C@@H](C)C1 ZINC001173221675 1097372067 /nfs/dbraw/zinc/37/20/67/1097372067.db2.gz LFJBQJLDOGSVAW-VBQJREDUSA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001173222796 1097372843 /nfs/dbraw/zinc/37/28/43/1097372843.db2.gz CDZMGJBFRRXRGN-RPCCPQHDSA-N 1 0 304.390 3.025 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CCC(O)CC1 ZINC001173222335 1097373155 /nfs/dbraw/zinc/37/31/55/1097373155.db2.gz WNGIASGWJIEEJC-CBCUQQMYSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001173225762 1097375163 /nfs/dbraw/zinc/37/51/63/1097375163.db2.gz GAEUSAFSGVSQIV-ZYHUDNBSSA-N 1 0 302.296 3.410 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001173227235 1097376111 /nfs/dbraw/zinc/37/61/11/1097376111.db2.gz OUGWOLORIGFELN-PBHICJAKSA-N 1 0 311.385 3.410 20 5 DGBDRO CC(C)[N@H+](CCCCCO)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230743 1097376898 /nfs/dbraw/zinc/37/68/98/1097376898.db2.gz FGLWBZHGNSGJBK-OAHLLOKOSA-N 1 0 308.422 3.399 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC001173231186 1097377096 /nfs/dbraw/zinc/37/70/96/1097377096.db2.gz YIWVSNRMHOYNDN-ZDUSSCGKSA-N 1 0 324.384 3.202 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccccc2C1=O ZINC001173230547 1097377221 /nfs/dbraw/zinc/37/72/21/1097377221.db2.gz RXFBYNVERWYKHC-ACJLOTCBSA-N 1 0 324.380 3.313 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)CN1CCC(C)CC1 ZINC001173234367 1097378767 /nfs/dbraw/zinc/37/87/67/1097378767.db2.gz OKHMFSPDDZOJEQ-HZPDHXFCSA-N 1 0 319.449 3.236 20 5 DGBDRO CC(C)[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC001173238383 1097394085 /nfs/dbraw/zinc/39/40/85/1097394085.db2.gz QWOKDVNVRJSUKX-OAHLLOKOSA-N 1 0 319.449 3.330 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001229830335 1097394479 /nfs/dbraw/zinc/39/44/79/1097394479.db2.gz ANMOYUZPGINAGX-SECBINFHSA-N 1 0 307.292 3.087 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(OC(=O)c2ccccc2)cc1 ZINC001230251489 1097464380 /nfs/dbraw/zinc/46/43/80/1097464380.db2.gz WGETVCOZDZRFNX-HNNXBMFYSA-N 1 0 314.405 3.379 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(OC(=O)c2ccccc2)cc1 ZINC001230251490 1097464600 /nfs/dbraw/zinc/46/46/00/1097464600.db2.gz WGETVCOZDZRFNX-OAHLLOKOSA-N 1 0 314.405 3.379 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC001230490837 1097497371 /nfs/dbraw/zinc/49/73/71/1097497371.db2.gz GKTVCVZWUACGLG-UHFFFAOYSA-N 1 0 323.349 3.063 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001230493920 1097498142 /nfs/dbraw/zinc/49/81/42/1097498142.db2.gz MXDOFUJSZQUQHA-HAQNSBGRSA-N 1 0 323.349 3.063 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001230766279 1097577236 /nfs/dbraw/zinc/57/72/36/1097577236.db2.gz LLUCKKAOFYWRAL-MRVPVSSYSA-N 1 0 308.185 3.375 20 5 DGBDRO Cc1ccc(F)c(O[C@H](C)C[N+](C)(C)C)c1Br ZINC001230831273 1097601703 /nfs/dbraw/zinc/60/17/03/1097601703.db2.gz MLWGHHQSSJYLHG-SNVBAGLBSA-N 1 0 305.211 3.370 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)ccc(Br)c1F ZINC001230954162 1097630738 /nfs/dbraw/zinc/63/07/38/1097630738.db2.gz RRRRJXZQGYIZOF-QMMMGPOBSA-N 1 0 309.174 3.201 20 5 DGBDRO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001174948253 1097897234 /nfs/dbraw/zinc/89/72/34/1097897234.db2.gz NMFPYPUFLKVXAF-SFHVURJKSA-N 1 0 311.385 3.306 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001175070292 1097937466 /nfs/dbraw/zinc/93/74/66/1097937466.db2.gz PYOIDWKHIRSQJZ-OLMNPRSZSA-N 1 0 317.433 3.238 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)[C@@H]1CO ZINC001232218285 1097970285 /nfs/dbraw/zinc/97/02/85/1097970285.db2.gz FOCHWPJTNQVUIP-KBXCAEBGSA-N 1 0 321.424 3.376 20 5 DGBDRO C[C@](CO)([NH2+]CC1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001175323313 1098012365 /nfs/dbraw/zinc/01/23/65/1098012365.db2.gz LAJXJIWKKQUAED-QGZVFWFLSA-N 1 0 306.406 3.362 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cc[nH+]c(N3CCCC3)c2)c1 ZINC001175734209 1098148989 /nfs/dbraw/zinc/14/89/89/1098148989.db2.gz NQTJBQGJNHYYKL-UHFFFAOYSA-N 1 0 302.309 3.473 20 5 DGBDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001176036447 1098239998 /nfs/dbraw/zinc/23/99/98/1098239998.db2.gz MEZJLXLCCDBMDV-ZDUSSCGKSA-N 1 0 313.357 3.193 20 5 DGBDRO Cc1ccc(CN2CC[N@@H+](C)C[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001176432375 1098340365 /nfs/dbraw/zinc/34/03/65/1098340365.db2.gz OAWVRQOEIIDVKE-INIZCTEOSA-N 1 0 305.422 3.065 20 5 DGBDRO CC(=O)c1cc(O[C@H]2CC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001233497327 1098352186 /nfs/dbraw/zinc/35/21/86/1098352186.db2.gz DYXRRMOSBNMRLQ-JOCQHMNTSA-N 1 0 306.362 3.049 20 5 DGBDRO Cc1ccnc([N+](=O)[O-])c1OC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001233557993 1098375558 /nfs/dbraw/zinc/37/55/58/1098375558.db2.gz XWVBWQSBFXUDKF-UHFFFAOYSA-N 1 0 307.394 3.328 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233601863 1098386843 /nfs/dbraw/zinc/38/68/43/1098386843.db2.gz YDCRWNNDXDKDFR-SNVBAGLBSA-N 1 0 300.305 3.125 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2cc(Br)cnc21 ZINC001233632983 1098393671 /nfs/dbraw/zinc/39/36/71/1098393671.db2.gz OZTKZMGLQGPMNR-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001234367669 1098544067 /nfs/dbraw/zinc/54/40/67/1098544067.db2.gz IKOLTSYFSJJVGM-CQSZACIVSA-N 1 0 322.429 3.059 20 5 DGBDRO CCCC(=O)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177754433 1098600349 /nfs/dbraw/zinc/60/03/49/1098600349.db2.gz LWYIKEHSACSZDP-UHFFFAOYSA-N 1 0 321.421 3.161 20 5 DGBDRO COc1cc(C[NH2+]CCCc2cccs2)c([N+](=O)[O-])cc1O ZINC001178188014 1098741287 /nfs/dbraw/zinc/74/12/87/1098741287.db2.gz GXSZIVHDOZCPBK-UHFFFAOYSA-N 1 0 322.386 3.093 20 5 DGBDRO Cc1c(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001179266640 1099052970 /nfs/dbraw/zinc/05/29/70/1099052970.db2.gz SWXLGHQVTITEGY-DLBZAZTESA-N 1 0 304.390 3.341 20 5 DGBDRO C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193251012 1100721389 /nfs/dbraw/zinc/72/13/89/1100721389.db2.gz SYXPGMGODIFBBJ-GOEBONIOSA-N 1 0 317.433 3.337 20 5 DGBDRO CC[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC001193603317 1100781349 /nfs/dbraw/zinc/78/13/49/1100781349.db2.gz BLSADXQOHXDQMW-NWDGAFQWSA-N 1 0 316.361 3.265 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC(C)(C)O1 ZINC001193742367 1100796526 /nfs/dbraw/zinc/79/65/26/1100796526.db2.gz AZJSEFOWMOGOGC-INIZCTEOSA-N 1 0 306.406 3.417 20 5 DGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001194194390 1100891442 /nfs/dbraw/zinc/89/14/42/1100891442.db2.gz ZZAWVKWISUJQDT-IUODEOHRSA-N 1 0 310.419 3.237 20 5 DGBDRO C[NH+]1C[C@@]2(C)CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC001196632661 1101354649 /nfs/dbraw/zinc/35/46/49/1101354649.db2.gz WAJDTDAHVQNTTI-HOTGVXAUSA-N 1 0 323.824 3.022 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC001200942486 1102454675 /nfs/dbraw/zinc/45/46/75/1102454675.db2.gz SMCMXJJPPSHDIT-IAGOWNOFSA-N 1 0 322.405 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CNCc2cn3ccnc3s2)c1 ZINC001201424896 1102587687 /nfs/dbraw/zinc/58/76/87/1102587687.db2.gz HYPDNOCQUQXDDV-UHFFFAOYSA-N 1 0 322.777 3.247 20 5 DGBDRO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H](C)OC ZINC001205923543 1102663887 /nfs/dbraw/zinc/66/38/87/1102663887.db2.gz CBGVYQOKYDWGQC-SNVBAGLBSA-N 1 0 320.311 3.470 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2CCCC[NH2+]2)n1 ZINC001326682164 1103406063 /nfs/dbraw/zinc/40/60/63/1103406063.db2.gz RMCUSEUCZXFVEQ-LBPRGKRZSA-N 1 0 302.334 3.076 20 5 DGBDRO COc1ccc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC001329746578 1104377462 /nfs/dbraw/zinc/37/74/62/1104377462.db2.gz YBCCBFUSCPFJRC-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO C[C@H](N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC001330696640 1104621717 /nfs/dbraw/zinc/62/17/17/1104621717.db2.gz FEEYEZSMOYSMIP-YUTCNCBUSA-N 1 0 309.385 3.257 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650100 1104647587 /nfs/dbraw/zinc/64/75/87/1104647587.db2.gz GUTUZAMHGNTQSS-YJBOKZPZSA-N 1 0 317.433 3.134 20 5 DGBDRO CC(C)CN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC001246953033 1104751084 /nfs/dbraw/zinc/75/10/84/1104751084.db2.gz OPGCFJBRGLHNPL-CRAIPNDOSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001246990735 1104766651 /nfs/dbraw/zinc/76/66/51/1104766651.db2.gz XWRXGJFZZVOYRL-KSSFIOAISA-N 1 0 317.433 3.132 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc2ccccc2n1[C@@H]1CC[NH2+]C1 ZINC001247050105 1104786242 /nfs/dbraw/zinc/78/62/42/1104786242.db2.gz ZNMPZHGHIDRNFQ-CQSZACIVSA-N 1 0 322.368 3.454 20 5 DGBDRO COC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC001308950767 1104897738 /nfs/dbraw/zinc/89/77/38/1104897738.db2.gz TYCCTQIVZVNQMR-GFCCVEGCSA-N 1 0 300.786 3.256 20 5 DGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(CC[NH+](C)C)cc1 ZINC001249546069 1105308957 /nfs/dbraw/zinc/30/89/57/1105308957.db2.gz FULQHIVJKNCIRG-UHFFFAOYSA-N 1 0 300.362 3.146 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H](F)C3)CC2)cc1 ZINC001254464047 1106077355 /nfs/dbraw/zinc/07/73/55/1106077355.db2.gz AMBHUPHSQWISCZ-TZMCWYRMSA-N 1 0 307.369 3.044 20 5 DGBDRO C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2(CC2)C1 ZINC001254480283 1106078847 /nfs/dbraw/zinc/07/88/47/1106078847.db2.gz CYLGMOURCZSVLG-CQSZACIVSA-N 1 0 315.417 3.438 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)c1ccccc1 ZINC001254530842 1106094430 /nfs/dbraw/zinc/09/44/30/1106094430.db2.gz BIINTWQEHOHBFX-YOEHRIQHSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(Cl)c1 ZINC001254532256 1106095909 /nfs/dbraw/zinc/09/59/09/1106095909.db2.gz MBRKJWKGLMUPCW-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO Cc1cccn2c(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])cnc12 ZINC001254533186 1106096082 /nfs/dbraw/zinc/09/60/82/1106096082.db2.gz XSFHXGYRZZNDFH-CQSZACIVSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001254538216 1106097729 /nfs/dbraw/zinc/09/77/29/1106097729.db2.gz RPGYLXHBYJWUPH-NSHDSACASA-N 1 0 316.336 3.065 20 5 DGBDRO COc1cccc(F)c1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538321 1106097868 /nfs/dbraw/zinc/09/78/68/1106097868.db2.gz RWIDZXSQHUTZOL-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)c1ccc(F)cc1 ZINC001254536557 1106097942 /nfs/dbraw/zinc/09/79/42/1106097942.db2.gz PWXFUOMFWGMXQI-LBPRGKRZSA-N 1 0 316.332 3.137 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])c1cc(F)cc(F)c1 ZINC001254536578 1106098347 /nfs/dbraw/zinc/09/83/47/1106098347.db2.gz QCBAGGFXODTUOU-SNVBAGLBSA-N 1 0 319.311 3.419 20 5 DGBDRO CCOC(=O)CCCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539973 1106099078 /nfs/dbraw/zinc/09/90/78/1106099078.db2.gz NPRIDPJVDTXMBV-AWEZNQCLSA-N 1 0 322.405 3.239 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cncn1C1CCC1 ZINC001254547031 1106100325 /nfs/dbraw/zinc/10/03/25/1106100325.db2.gz UBTHBMCOUYVYIK-CYBMUJFWSA-N 1 0 314.389 3.237 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CC2CC2)CCOCC1 ZINC001254547092 1106100368 /nfs/dbraw/zinc/10/03/68/1106100368.db2.gz VGDUHIOAXBVTAZ-AWEZNQCLSA-N 1 0 318.417 3.465 20 5 DGBDRO CC(C)Cn1cnc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254545416 1106100596 /nfs/dbraw/zinc/10/05/96/1106100596.db2.gz NTDYMFMCUONILU-CQSZACIVSA-N 1 0 316.405 3.168 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cnc2cccc(C[NH3+])c21 ZINC001254545300 1106100620 /nfs/dbraw/zinc/10/06/20/1106100620.db2.gz CCSHZRWRRHOZDA-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCOC2)CC1 ZINC001254550160 1106101146 /nfs/dbraw/zinc/10/11/46/1106101146.db2.gz DSGNBBAIUDBKEW-CQSZACIVSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001254552260 1106101169 /nfs/dbraw/zinc/10/11/69/1106101169.db2.gz JRGAMSSDCBZPPK-PBHICJAKSA-N 1 0 304.390 3.171 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2ccccc2C1=O ZINC001254549025 1106101333 /nfs/dbraw/zinc/10/13/33/1106101333.db2.gz PRILUWGJLBWQLD-SUMWQHHRSA-N 1 0 324.380 3.313 20 5 DGBDRO Cc1cccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254549840 1106101540 /nfs/dbraw/zinc/10/15/40/1106101540.db2.gz XPWIKQKKUHFIDT-WMLDXEAASA-N 1 0 314.385 3.157 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001254551700 1106101546 /nfs/dbraw/zinc/10/15/46/1106101546.db2.gz DHWJCFBNGLEQCI-JKIFEVAISA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001254550581 1106101568 /nfs/dbraw/zinc/10/15/68/1106101568.db2.gz MGXFMJHEDDKNSS-UNEWFSDZSA-N 1 0 304.390 3.027 20 5 DGBDRO COc1ccc(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1C[NH3+] ZINC001254549007 1106101797 /nfs/dbraw/zinc/10/17/97/1106101797.db2.gz PGICQHAQJFCHKC-LBPRGKRZSA-N 1 0 315.373 3.105 20 5 DGBDRO Cc1noc([C@@H]2CCCN2[C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254559310 1106102980 /nfs/dbraw/zinc/10/29/80/1106102980.db2.gz JZOPMKZMFVWOMF-NHYWBVRUSA-N 1 0 316.361 3.054 20 5 DGBDRO CC(C)OC1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563128 1106104227 /nfs/dbraw/zinc/10/42/27/1106104227.db2.gz UHOCTHXDZSJWBN-CQSZACIVSA-N 1 0 306.406 3.415 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)CCOCC2 ZINC001254563543 1106104522 /nfs/dbraw/zinc/10/45/22/1106104522.db2.gz YFOXBCCVRSHWFV-CQSZACIVSA-N 1 0 304.390 3.028 20 5 DGBDRO CC(C)[N@H+](CCCCCO)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254564282 1106104772 /nfs/dbraw/zinc/10/47/72/1106104772.db2.gz KCNGVSHOKUSURU-HNNXBMFYSA-N 1 0 308.422 3.399 20 5 DGBDRO [NH3+]Cc1ccc2c(ccn2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254564815 1106104801 /nfs/dbraw/zinc/10/48/01/1106104801.db2.gz APILCVFFWHQYMY-KRWDZBQOSA-N 1 0 307.353 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccnc3ccccc13)C2 ZINC001254565250 1106104940 /nfs/dbraw/zinc/10/49/40/1106104940.db2.gz CSHUBSQGBHRHTI-INIZCTEOSA-N 1 0 319.364 3.400 20 5 DGBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cnc2ccccn21 ZINC001254566974 1106105378 /nfs/dbraw/zinc/10/53/78/1106105378.db2.gz LZWOVTAIBDSJEC-DOMZBBRYSA-N 1 0 322.368 3.061 20 5 DGBDRO [NH3+]Cc1cccc2c1ccn2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569821 1106106131 /nfs/dbraw/zinc/10/61/31/1106106131.db2.gz ZJQYFKDERWFDBV-MRXNPFEDSA-N 1 0 307.353 3.348 20 5 DGBDRO [NH3+]CC[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc21 ZINC001254574772 1106106605 /nfs/dbraw/zinc/10/66/05/1106106605.db2.gz KYLCFNSILWQRDL-RHSMWYFYSA-N 1 0 323.396 3.015 20 5 DGBDRO Cc1cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cnc1Cl ZINC001254578165 1106107514 /nfs/dbraw/zinc/10/75/14/1106107514.db2.gz JYDWEQVKFRUSMC-CQSZACIVSA-N 1 0 317.776 3.209 20 5 DGBDRO [NH3+]CCc1ccc2c(ccn2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254578240 1106107624 /nfs/dbraw/zinc/10/76/24/1106107624.db2.gz CBMVTULKRZCCHX-SFHVURJKSA-N 1 0 321.380 3.391 20 5 DGBDRO CC(C)[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254576816 1106107660 /nfs/dbraw/zinc/10/76/60/1106107660.db2.gz ZWZQWMVQQJVGGY-MAUKXSAKSA-N 1 0 311.385 3.444 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(O)cc1 ZINC001254577168 1106107672 /nfs/dbraw/zinc/10/76/72/1106107672.db2.gz CCYKFQRTDYXFCB-BLLLJJGKSA-N 1 0 312.369 3.161 20 5 DGBDRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579389 1106107746 /nfs/dbraw/zinc/10/77/46/1106107746.db2.gz RJGJOVMIEIPIBA-KDOFPFPSSA-N 1 0 324.380 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CC3(C1)CC(F)(F)C3)C2 ZINC001254580342 1106108429 /nfs/dbraw/zinc/10/84/29/1106108429.db2.gz FMDBSRJOAOFGDW-GFCCVEGCSA-N 1 0 308.328 3.230 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)C2 ZINC001254583115 1106108483 /nfs/dbraw/zinc/10/84/83/1106108483.db2.gz XMYFEVNQTKXLON-WMZOPIPTSA-N 1 0 309.369 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)C2 ZINC001254582014 1106108503 /nfs/dbraw/zinc/10/85/03/1106108503.db2.gz RWSGGENACLLXJN-INIZCTEOSA-N 1 0 318.323 3.173 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc3ccccc3cn1)C2 ZINC001254580749 1106108581 /nfs/dbraw/zinc/10/85/81/1106108581.db2.gz FLPKMSWTVSYUGK-KRWDZBQOSA-N 1 0 319.364 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCc3ccccc3C1)C2 ZINC001254584880 1106108966 /nfs/dbraw/zinc/10/89/66/1106108966.db2.gz AURFWOQNJNDVLS-KUHUBIRLSA-N 1 0 322.408 3.457 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCc1ccc(F)cc1)C2 ZINC001254585887 1106109206 /nfs/dbraw/zinc/10/92/06/1106109206.db2.gz YFXXKTIDKXUBJE-QGZVFWFLSA-N 1 0 314.360 3.424 20 5 DGBDRO Cn1ccc2ccc(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc21 ZINC001254589651 1106110038 /nfs/dbraw/zinc/11/00/38/1106110038.db2.gz QLEDAMHQGMVZSV-KRWDZBQOSA-N 1 0 321.380 3.344 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CC[C@H](SC)C1 ZINC001321144282 1107263663 /nfs/dbraw/zinc/26/36/63/1107263663.db2.gz VDENMCHRMYWOGD-OCCSQVGLSA-N 1 0 310.419 3.319 20 5 DGBDRO CC[NH+](CC)C1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC001323610757 1108029084 /nfs/dbraw/zinc/02/90/84/1108029084.db2.gz VTARFNYBJZHIJS-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001318783274 1108195308 /nfs/dbraw/zinc/19/53/08/1108195308.db2.gz AXMXKRCJCFHADM-IUODEOHRSA-N 1 0 310.419 3.190 20 5 DGBDRO CS[C@@H]1CC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001318783275 1108195334 /nfs/dbraw/zinc/19/53/34/1108195334.db2.gz AXMXKRCJCFHADM-SWLSCSKDSA-N 1 0 310.419 3.190 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC001318790490 1108198271 /nfs/dbraw/zinc/19/82/71/1108198271.db2.gz DEFSHHZZWREBCB-TZMCWYRMSA-N 1 0 310.419 3.319 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC001324438334 1108288231 /nfs/dbraw/zinc/28/82/31/1108288231.db2.gz MRPOQZFWKVGRGN-UHFFFAOYSA-N 1 0 307.394 3.352 20 5 DGBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC001319831898 1108655350 /nfs/dbraw/zinc/65/53/50/1108655350.db2.gz NRJHVOMQSNQKAQ-XOVSCCBYSA-N 1 0 320.389 3.318 20 5 DGBDRO C[NH+](C)CCN(CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001306990794 1111258975 /nfs/dbraw/zinc/25/89/75/1111258975.db2.gz RUDJZDODVOUCNQ-UHFFFAOYSA-N 1 0 313.401 3.206 20 5 DGBDRO CCC[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC001307195082 1111277463 /nfs/dbraw/zinc/27/74/63/1111277463.db2.gz GDBVSLCDZANAIS-SECBINFHSA-N 1 0 318.204 3.480 20 5 DGBDRO CCCN(CC[NH+]1CCCC1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001307756969 1111335690 /nfs/dbraw/zinc/33/56/90/1111335690.db2.gz GPCPPBQUIXXEJH-OAHLLOKOSA-N 1 0 305.422 3.464 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001307854824 1111347429 /nfs/dbraw/zinc/34/74/29/1111347429.db2.gz XAQWWPVRLQWGDZ-UONOGXRCSA-N 1 0 308.426 3.246 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001308136796 1111382372 /nfs/dbraw/zinc/38/23/72/1111382372.db2.gz XLEACGFKTILEIQ-GHMZBOCLSA-N 1 0 316.361 3.484 20 5 DGBDRO CCOc1cc(F)cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC001308253969 1111405218 /nfs/dbraw/zinc/40/52/18/1111405218.db2.gz NKXSWVJSKYYFOF-UHFFFAOYSA-N 1 0 318.348 3.465 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC001308366345 1111422248 /nfs/dbraw/zinc/42/22/48/1111422248.db2.gz NRESWOQAOOAZET-JTQLQIEISA-N 1 0 321.402 3.262 20 5 DGBDRO Cc1c(C[NH2+]Cc2cccc(Cl)c2N)cccc1[N+](=O)[O-] ZINC001308370472 1111423111 /nfs/dbraw/zinc/42/31/11/1111423111.db2.gz KWYSEWZYQOYANX-UHFFFAOYSA-N 1 0 305.765 3.429 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC001308389456 1111424190 /nfs/dbraw/zinc/42/41/90/1111424190.db2.gz BSRXZUXDWXIJLB-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO CCOc1cccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001308536458 1111439460 /nfs/dbraw/zinc/43/94/60/1111439460.db2.gz YVWWTADMLOCJEG-ZDUSSCGKSA-N 1 0 315.373 3.282 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC001308751649 1111469847 /nfs/dbraw/zinc/46/98/47/1111469847.db2.gz LIEHRRKJBYVDEP-CRAIPNDOSA-N 1 0 317.433 3.270 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC001308751652 1111470000 /nfs/dbraw/zinc/47/00/00/1111470000.db2.gz LIEHRRKJBYVDEP-QAPCUYQASA-N 1 0 317.433 3.270 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)C[NH+](C)C ZINC000314039048 231127191 /nfs/dbraw/zinc/12/71/91/231127191.db2.gz RSOYNSGASNTWJM-SECBINFHSA-N 1 0 305.300 3.223 20 5 DGBDRO O=[N+]([O-])c1cccc2c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccnc21 ZINC000322148667 231208858 /nfs/dbraw/zinc/20/88/58/231208858.db2.gz KUGBRCBTTLGTRT-OLZOCXBDSA-N 1 0 312.373 3.182 20 5 DGBDRO C[C@@H]([NH2+]CCCCC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000278846096 214441325 /nfs/dbraw/zinc/44/13/25/214441325.db2.gz VDXPAMYOYARSLJ-CYBMUJFWSA-N 1 0 308.378 3.179 20 5 DGBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000317006393 529606868 /nfs/dbraw/zinc/60/68/68/529606868.db2.gz MDEFKUFUMDXIRW-HNNXBMFYSA-N 1 0 303.337 3.412 20 5 DGBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090085175 185281222 /nfs/dbraw/zinc/28/12/22/185281222.db2.gz CHNRTRDFTXVIFB-CZUORRHYSA-N 1 0 320.433 3.303 20 5 DGBDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000090528883 185300677 /nfs/dbraw/zinc/30/06/77/185300677.db2.gz GXUGIYIDQANVAK-DGCLKSJQSA-N 1 0 302.378 3.217 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090540923 185301775 /nfs/dbraw/zinc/30/17/75/185301775.db2.gz QSHJJFZWMJHHGR-XNRPHZJLSA-N 1 0 322.430 3.300 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000092485607 185321831 /nfs/dbraw/zinc/32/18/31/185321831.db2.gz BAZLGCPLFXBVMB-JSGCOSHPSA-N 1 0 320.389 3.377 20 5 DGBDRO CC(C)c1ccc(CN2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000092938577 185349935 /nfs/dbraw/zinc/34/99/35/185349935.db2.gz WGMYAKQQEBMPFO-HNNXBMFYSA-N 1 0 305.422 3.244 20 5 DGBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4Cl)[C@H]1[C@H]3C2 ZINC000286656506 219106986 /nfs/dbraw/zinc/10/69/86/219106986.db2.gz UKXDEVBSDSPWTM-GSJWJAIFSA-N 1 0 322.792 3.103 20 5 DGBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000413347232 529884258 /nfs/dbraw/zinc/88/42/58/529884258.db2.gz KPMAXZHNFRYTAT-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO C[N@H+](CCNc1nccc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000413129224 529918396 /nfs/dbraw/zinc/91/83/96/529918396.db2.gz XNYKXMSIASBCBH-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO Cc1noc(C)c1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000119671884 282381068 /nfs/dbraw/zinc/38/10/68/282381068.db2.gz CWBOYTVFDKDRPB-UHFFFAOYSA-N 1 0 315.373 3.407 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCCC(C)(C)C)cc1[N+](=O)[O-] ZINC000181814312 199355791 /nfs/dbraw/zinc/35/57/91/199355791.db2.gz UEGOKUSPFCDTKU-CYBMUJFWSA-N 1 0 321.421 3.106 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000279681863 215057288 /nfs/dbraw/zinc/05/72/88/215057288.db2.gz ADIIVIUPIYLNHK-SWLSCSKDSA-N 1 0 306.431 3.259 20 5 DGBDRO COCCC[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272644880 210048798 /nfs/dbraw/zinc/04/87/98/210048798.db2.gz OVKSJNGHPSVXBL-NSHDSACASA-N 1 0 300.786 3.195 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000130342133 185958516 /nfs/dbraw/zinc/95/85/16/185958516.db2.gz CYKPISNRQJOPEU-MUIFIZLQSA-N 1 0 318.417 3.321 20 5 DGBDRO CC[C@H]1CCCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000150737628 186061338 /nfs/dbraw/zinc/06/13/38/186061338.db2.gz WTRAYNQQKFQAOQ-AWEZNQCLSA-N 1 0 319.405 3.212 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000188012276 186243255 /nfs/dbraw/zinc/24/32/55/186243255.db2.gz GXKUWJBAALGLDI-GZBFAFLISA-N 1 0 322.405 3.195 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000191867746 186266894 /nfs/dbraw/zinc/26/68/94/186266894.db2.gz ZREZRDWVMZPXGN-IUODEOHRSA-N 1 0 319.405 3.399 20 5 DGBDRO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000067132596 432027255 /nfs/dbraw/zinc/02/72/55/432027255.db2.gz YXRYJSJXYABHKA-ZFWWWQNUSA-N 1 0 317.389 3.188 20 5 DGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173175053 198192321 /nfs/dbraw/zinc/19/23/21/198192321.db2.gz BGVDILXXYBFLBA-AWEZNQCLSA-N 1 0 321.421 3.144 20 5 DGBDRO CSC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000173447956 198215123 /nfs/dbraw/zinc/21/51/23/198215123.db2.gz ZODGYSVODHKZRY-LBPRGKRZSA-N 1 0 310.419 3.158 20 5 DGBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301870637 295859839 /nfs/dbraw/zinc/85/98/39/295859839.db2.gz PCQYRTXEVQCCSZ-ZDUSSCGKSA-N 1 0 314.389 3.409 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174880951 198396820 /nfs/dbraw/zinc/39/68/20/198396820.db2.gz CDQAOLWFFWXBFQ-GFCCVEGCSA-N 1 0 311.813 3.022 20 5 DGBDRO CCC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000175867316 198518695 /nfs/dbraw/zinc/51/86/95/198518695.db2.gz BVULSRRWQHUPOM-UHFFFAOYSA-N 1 0 314.389 3.275 20 5 DGBDRO CCCn1ccnc1CCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000277038209 213256271 /nfs/dbraw/zinc/25/62/71/213256271.db2.gz BPXOOQMWAABWME-UHFFFAOYSA-N 1 0 322.434 3.327 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN[C@@H](CO)c1ccccc1 ZINC000107904600 432042114 /nfs/dbraw/zinc/04/21/14/432042114.db2.gz NRPVKVVCHZGLTA-AWEZNQCLSA-N 1 0 306.749 3.071 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000067948665 432048053 /nfs/dbraw/zinc/04/80/53/432048053.db2.gz PMPKHXMEFPNTNE-ZDUSSCGKSA-N 1 0 318.402 3.300 20 5 DGBDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000164685102 432050721 /nfs/dbraw/zinc/05/07/21/432050721.db2.gz GGMWYYQPKSYJBK-ZDUSSCGKSA-N 1 0 302.378 3.231 20 5 DGBDRO CCN(CC)[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000236850106 202037239 /nfs/dbraw/zinc/03/72/39/202037239.db2.gz WFNYAPWBIAWUPU-INIZCTEOSA-N 1 0 317.389 3.361 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)CO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000166469179 432060649 /nfs/dbraw/zinc/06/06/49/432060649.db2.gz VGMYFRQPPPZERL-XYPHTWIQSA-N 1 0 322.405 3.220 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[N@@H+]1C1CC1 ZINC000133545369 432066358 /nfs/dbraw/zinc/06/63/58/432066358.db2.gz MENWXTKMANHHJC-VXGBXAGGSA-N 1 0 312.373 3.180 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000179404568 199030088 /nfs/dbraw/zinc/03/00/88/199030088.db2.gz DLOXITRVAFDGSL-CHWSQXEVSA-N 1 0 308.378 3.071 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cccc1[N+](=O)[O-] ZINC000276730355 213073198 /nfs/dbraw/zinc/07/31/98/213073198.db2.gz FDIVMYWRDLDREI-USXIJHARSA-N 1 0 316.401 3.341 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179642584 199068886 /nfs/dbraw/zinc/06/88/86/199068886.db2.gz LPGLSSJAYYGEQE-ZGRWHYIRSA-N 1 0 315.417 3.168 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180730614 199202795 /nfs/dbraw/zinc/20/27/95/199202795.db2.gz QJCGXOYSQQUCDD-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000134467724 432077650 /nfs/dbraw/zinc/07/76/50/432077650.db2.gz WXSDJGNQYIGAQJ-QGZVFWFLSA-N 1 0 318.373 3.496 20 5 DGBDRO [NH3+]CC[C@@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420238797 283443572 /nfs/dbraw/zinc/44/35/72/283443572.db2.gz HUMBHAOZLIUTGR-VIFPVBQESA-N 1 0 318.204 3.467 20 5 DGBDRO C[C@H]1CCCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000187925272 200177614 /nfs/dbraw/zinc/17/76/14/200177614.db2.gz BZALTWSUBAVHCH-LBPRGKRZSA-N 1 0 316.361 3.267 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@H]1CCC[NH2+]C1 ZINC000420148697 237689299 /nfs/dbraw/zinc/68/92/99/237689299.db2.gz ALXQUJDAKNORNG-QMMMGPOBSA-N 1 0 304.177 3.313 20 5 DGBDRO CCC[C@@H]([NH2+]CCOCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000188770495 200301611 /nfs/dbraw/zinc/30/16/11/200301611.db2.gz WEJBKAMIMJNIRG-CYBMUJFWSA-N 1 0 302.321 3.307 20 5 DGBDRO Cc1c(C[NH+]2CCC([C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000189227096 200366066 /nfs/dbraw/zinc/36/60/66/200366066.db2.gz CMAZVQAFLNQXIN-KRWDZBQOSA-N 1 0 304.390 3.294 20 5 DGBDRO CC[C@](C)(O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180494800 432088459 /nfs/dbraw/zinc/08/84/59/432088459.db2.gz OWYVOAXLPQKLOD-MSOLQXFVSA-N 1 0 314.385 3.435 20 5 DGBDRO COCC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000429234698 238044341 /nfs/dbraw/zinc/04/43/41/238044341.db2.gz PLVQYDWVBFRYII-UHFFFAOYSA-N 1 0 310.394 3.239 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429311603 238048020 /nfs/dbraw/zinc/04/80/20/238048020.db2.gz CEDFWQIBIAYCHV-CYBMUJFWSA-N 1 0 318.760 3.211 20 5 DGBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429566442 238055188 /nfs/dbraw/zinc/05/51/88/238055188.db2.gz KBARANWAAIHXLO-BXUZGUMPSA-N 1 0 316.361 3.265 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000429703632 238058453 /nfs/dbraw/zinc/05/84/53/238058453.db2.gz RTYNRGPJXFVANK-XZJROXQQSA-N 1 0 320.364 3.171 20 5 DGBDRO C[C@H]1CCC[N@H+](CCNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432350088 238125980 /nfs/dbraw/zinc/12/59/80/238125980.db2.gz XIEWHMUBOQITTB-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[NH+](C)[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000433107441 238147385 /nfs/dbraw/zinc/14/73/85/238147385.db2.gz WHJOYAIUZAWCIP-INIZCTEOSA-N 1 0 313.357 3.226 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@@H+]2C2CC2)c(Cl)c1 ZINC000433809928 238168863 /nfs/dbraw/zinc/16/88/63/238168863.db2.gz XJJQEFGBUZVQHZ-LLVKDONJSA-N 1 0 310.785 3.072 20 5 DGBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nc1 ZINC000271893592 209303541 /nfs/dbraw/zinc/30/35/41/209303541.db2.gz FKLSJLLUSKJKJK-UHFFFAOYSA-N 1 0 315.373 3.409 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCO)o2)c(Cl)c1 ZINC000193257874 201014540 /nfs/dbraw/zinc/01/45/40/201014540.db2.gz OTDWIWJPEQWUGY-UHFFFAOYSA-N 1 0 324.764 3.370 20 5 DGBDRO CC[C@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271879873 209290039 /nfs/dbraw/zinc/29/00/39/209290039.db2.gz PEMYXASMAVEPTL-HOTGVXAUSA-N 1 0 306.406 3.433 20 5 DGBDRO O=c1[nH]c2ccccc2cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000194415301 201223328 /nfs/dbraw/zinc/22/33/28/201223328.db2.gz ZBBNLLIRYHKTNW-UHFFFAOYSA-N 1 0 323.352 3.181 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000441356938 239041340 /nfs/dbraw/zinc/04/13/40/239041340.db2.gz MSOZICYDOJJXBM-HUUCEWRRSA-N 1 0 305.422 3.462 20 5 DGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067595173 283702927 /nfs/dbraw/zinc/70/29/27/283702927.db2.gz KIIBRYZFZABHEX-AWEZNQCLSA-N 1 0 321.421 3.144 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443643992 239222442 /nfs/dbraw/zinc/22/24/42/239222442.db2.gz WSZFEAOTICWOPB-OLZOCXBDSA-N 1 0 319.405 3.210 20 5 DGBDRO C[C@H](CCO)C1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000271846997 209264429 /nfs/dbraw/zinc/26/44/29/209264429.db2.gz HYCHBRSPPMHVKU-KGLIPLIRSA-N 1 0 306.406 3.434 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C(C)C)C1 ZINC000444772594 239347726 /nfs/dbraw/zinc/34/77/26/239347726.db2.gz WFLWOPIMAUENMI-AWEZNQCLSA-N 1 0 319.405 3.210 20 5 DGBDRO CC(C)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275525053 212395095 /nfs/dbraw/zinc/39/50/95/212395095.db2.gz WHPXZYZCGXSFIM-OAHLLOKOSA-N 1 0 323.368 3.183 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(F)cc1 ZINC000449062306 239998819 /nfs/dbraw/zinc/99/88/19/239998819.db2.gz LBJLFDXBEOYROE-CYBMUJFWSA-N 1 0 302.349 3.497 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000449073651 240004569 /nfs/dbraw/zinc/00/45/69/240004569.db2.gz STYLYSRZDWARIA-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccncc2F)cc1 ZINC000449167448 240048634 /nfs/dbraw/zinc/04/86/34/240048634.db2.gz AKCAXRYCUSDABE-UHFFFAOYSA-N 1 0 303.337 3.241 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCc1ccccc1 ZINC000449173057 240050449 /nfs/dbraw/zinc/05/04/49/240050449.db2.gz DYAMJAOQANPMGI-OAHLLOKOSA-N 1 0 314.385 3.332 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccnn2C2CCCC2)c1 ZINC000449214759 240071760 /nfs/dbraw/zinc/07/17/60/240071760.db2.gz ZETRSVDZODASFH-UHFFFAOYSA-N 1 0 314.389 3.239 20 5 DGBDRO CCOc1ncccc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449218426 240073895 /nfs/dbraw/zinc/07/38/95/240073895.db2.gz ICHXPWNTFWWDEX-ZDUSSCGKSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000449225020 240078226 /nfs/dbraw/zinc/07/82/26/240078226.db2.gz JPARWUYEVNMNCJ-SWLSCSKDSA-N 1 0 306.406 3.462 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000449240524 240085894 /nfs/dbraw/zinc/08/58/94/240085894.db2.gz NZVVGOAUIWKTNS-RBSFLKMASA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000449303037 240120340 /nfs/dbraw/zinc/12/03/40/240120340.db2.gz LSNOISZECYOFEE-APIJFGDWSA-N 1 0 306.406 3.319 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC12CCOCC2 ZINC000449307386 240123231 /nfs/dbraw/zinc/12/32/31/240123231.db2.gz OZZCAWAWYAZTHW-WMLDXEAASA-N 1 0 318.417 3.465 20 5 DGBDRO Cc1cccc(CCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449316130 240128467 /nfs/dbraw/zinc/12/84/67/240128467.db2.gz LLRIAVVODBMNRU-OAHLLOKOSA-N 1 0 313.401 3.452 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H]3CCCOC3)C2)cc1 ZINC000449499647 240249238 /nfs/dbraw/zinc/24/92/38/240249238.db2.gz MJSVVWOCZXBIRC-ZBFHGGJFSA-N 1 0 304.390 3.201 20 5 DGBDRO Cc1ncsc1CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449469911 240224956 /nfs/dbraw/zinc/22/49/56/240224956.db2.gz VSYWMPSTJFSURE-NSHDSACASA-N 1 0 305.403 3.123 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449482403 240234911 /nfs/dbraw/zinc/23/49/11/240234911.db2.gz YJDRNRHXKPLICB-GJZGRUSLSA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449576120 240298199 /nfs/dbraw/zinc/29/81/99/240298199.db2.gz ZVMRETUXSUVMBM-BZPMIXESSA-N 1 0 300.362 3.018 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC[C@@H]3CCOC3)C2)cc1 ZINC000449504861 240253816 /nfs/dbraw/zinc/25/38/16/240253816.db2.gz WJBGRLIRQDZBBK-GDBMZVCRSA-N 1 0 304.390 3.201 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000449513246 240259510 /nfs/dbraw/zinc/25/95/10/240259510.db2.gz VPTKGPDRZHZSTC-DOTOQJQBSA-N 1 0 308.422 3.282 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000171140627 432105439 /nfs/dbraw/zinc/10/54/39/432105439.db2.gz OHGJOXGINCUVFE-HNNXBMFYSA-N 1 0 301.346 3.239 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@@H]1CCOC1 ZINC000449690680 240371462 /nfs/dbraw/zinc/37/14/62/240371462.db2.gz QVSYYCNYBYUGEU-YVGNARHYSA-N 1 0 304.390 3.404 20 5 DGBDRO CN(CC1([NH+](C)C)CCC1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450471826 240721655 /nfs/dbraw/zinc/72/16/55/240721655.db2.gz KZPXYMUXDBMUQF-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H](c1ccccn1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000091701937 193093962 /nfs/dbraw/zinc/09/39/62/193093962.db2.gz BSDPVBQMAWSJMM-AWEZNQCLSA-N 1 0 315.373 3.452 20 5 DGBDRO COc1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000135241553 432107156 /nfs/dbraw/zinc/10/71/56/432107156.db2.gz XGKOFHRIASEULL-UHFFFAOYSA-N 1 0 313.357 3.163 20 5 DGBDRO C[N@H+](CCC1CC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092067241 193152331 /nfs/dbraw/zinc/15/23/31/193152331.db2.gz QEMRBBIRJLHCAK-UHFFFAOYSA-N 1 0 300.305 3.428 20 5 DGBDRO CCOc1cc(C[N@H+]2CC[C@H](OCC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451548634 241168030 /nfs/dbraw/zinc/16/80/30/241168030.db2.gz VFTKKXPMJLOOCL-BBRMVZONSA-N 1 0 322.405 3.240 20 5 DGBDRO CCC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000451438104 241124165 /nfs/dbraw/zinc/12/41/65/241124165.db2.gz MNZGZVYZZLHJRY-CZUORRHYSA-N 1 0 324.421 3.139 20 5 DGBDRO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000451967727 241287406 /nfs/dbraw/zinc/28/74/06/241287406.db2.gz HLNSKTXYSBFCRA-OAHLLOKOSA-N 1 0 318.352 3.076 20 5 DGBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135328577 432111709 /nfs/dbraw/zinc/11/17/09/432111709.db2.gz GWMKRKJBBZIFNC-WFASDCNBSA-N 1 0 319.405 3.094 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000090409302 283986308 /nfs/dbraw/zinc/98/63/08/283986308.db2.gz WAOQQRVSZVNLOH-NSHDSACASA-N 1 0 321.764 3.373 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000246300797 432116740 /nfs/dbraw/zinc/11/67/40/432116740.db2.gz DRJUORFXDKTCCP-BBRMVZONSA-N 1 0 322.405 3.117 20 5 DGBDRO CCCN(CC[NH+](CC)CC)c1ncc([N+](=O)[O-])cc1Cl ZINC000460934266 243573132 /nfs/dbraw/zinc/57/31/32/243573132.db2.gz IKXSZAXOMFJXEM-UHFFFAOYSA-N 1 0 314.817 3.201 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000467443906 243994222 /nfs/dbraw/zinc/99/42/22/243994222.db2.gz DYOMOVBZZIVXCJ-HIFRSBDPSA-N 1 0 306.406 3.434 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000467997744 244014519 /nfs/dbraw/zinc/01/45/19/244014519.db2.gz FWUAKYZOWQQJEC-GFCCVEGCSA-N 1 0 314.341 3.217 20 5 DGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000467997745 244015028 /nfs/dbraw/zinc/01/50/28/244015028.db2.gz FWUAKYZOWQQJEC-LBPRGKRZSA-N 1 0 314.341 3.217 20 5 DGBDRO CCOC[C@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470174863 244151358 /nfs/dbraw/zinc/15/13/58/244151358.db2.gz WZMNXEPFSQBPGK-IDJPSDCMSA-N 1 0 304.390 3.357 20 5 DGBDRO CCOC[C@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470174865 244153802 /nfs/dbraw/zinc/15/38/02/244153802.db2.gz WZMNXEPFSQBPGK-MBSJSRAVSA-N 1 0 304.390 3.357 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470974146 244198205 /nfs/dbraw/zinc/19/82/05/244198205.db2.gz IUDIMXOFDISXRV-ZBFHGGJFSA-N 1 0 317.433 3.320 20 5 DGBDRO C[C@@H]1C[C@@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000119285747 284139503 /nfs/dbraw/zinc/13/95/03/284139503.db2.gz KNFOMBBHKXGIJM-NEPJUHHUSA-N 1 0 311.813 3.163 20 5 DGBDRO CC(C)(C)CC[C@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000475676559 244492418 /nfs/dbraw/zinc/49/24/18/244492418.db2.gz KEZWWEBERCATSN-DDJMYBDESA-N 1 0 306.406 3.385 20 5 DGBDRO COc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000093441984 193252751 /nfs/dbraw/zinc/25/27/51/193252751.db2.gz VKJBYGICNIHUIB-BETUJISGSA-N 1 0 320.389 3.234 20 5 DGBDRO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000478033664 244601030 /nfs/dbraw/zinc/60/10/30/244601030.db2.gz NMXDXPKMRNNQQT-QGZVFWFLSA-N 1 0 316.405 3.429 20 5 DGBDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000120542756 284172092 /nfs/dbraw/zinc/17/20/92/284172092.db2.gz YIOYUBQWMIQHJL-INIZCTEOSA-N 1 0 316.405 3.135 20 5 DGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000481200463 244748182 /nfs/dbraw/zinc/74/81/82/244748182.db2.gz GRTWGBYRVFPFTE-UONOGXRCSA-N 1 0 319.405 3.400 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000481752743 244776536 /nfs/dbraw/zinc/77/65/36/244776536.db2.gz WLPUEWJVFLYHQQ-DLBZAZTESA-N 1 0 322.405 3.157 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCOC2)cc(C(F)(F)F)c1 ZINC000487170254 245029040 /nfs/dbraw/zinc/02/90/40/245029040.db2.gz HDKCJYIEXBLBKR-SNVBAGLBSA-N 1 0 318.295 3.130 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C/C=C\c1ccncc1 ZINC000487549749 245074469 /nfs/dbraw/zinc/07/44/69/245074469.db2.gz OMNGBVOVYKCUPQ-UPHRSURJSA-N 1 0 317.776 3.489 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2scnc2C2CC2)c1 ZINC000487570579 245078706 /nfs/dbraw/zinc/07/87/06/245078706.db2.gz IPMNRQSJFNHLMF-UHFFFAOYSA-N 1 0 303.387 3.261 20 5 DGBDRO CC(C)[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488042244 245139711 /nfs/dbraw/zinc/13/97/11/245139711.db2.gz OISKOUVQOHNEKK-HNNXBMFYSA-N 1 0 311.813 3.020 20 5 DGBDRO CCOC(=O)CCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000271736435 209169569 /nfs/dbraw/zinc/16/95/69/209169569.db2.gz ZWYNFLBQRCKCEV-CYBMUJFWSA-N 1 0 308.378 3.369 20 5 DGBDRO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000288225965 220028613 /nfs/dbraw/zinc/02/86/13/220028613.db2.gz NEAFHKUQKXKFAX-AAEUAGOBSA-N 1 0 318.402 3.126 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000268725571 432127625 /nfs/dbraw/zinc/12/76/25/432127625.db2.gz QNGWEXGKDCKOJX-SUMWQHHRSA-N 1 0 300.358 3.287 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC000266128459 205123184 /nfs/dbraw/zinc/12/31/84/205123184.db2.gz CHIUWEHUUJNMGV-CHWSQXEVSA-N 1 0 316.357 3.369 20 5 DGBDRO Cc1cc([C@](C)(O)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000266132571 205124151 /nfs/dbraw/zinc/12/41/51/205124151.db2.gz DMXSVYMOWDYUJB-QGZVFWFLSA-N 1 0 318.373 3.110 20 5 DGBDRO COc1cc(NC[C@@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000266159109 205147344 /nfs/dbraw/zinc/14/73/44/205147344.db2.gz WAUCFMXYVRSCLT-ZDUSSCGKSA-N 1 0 321.402 3.380 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCSC3)o2)cc1 ZINC000266160675 205147850 /nfs/dbraw/zinc/14/78/50/205147850.db2.gz NHRNPMUBYVAARL-LBPRGKRZSA-N 1 0 304.371 3.450 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000161755681 197516912 /nfs/dbraw/zinc/51/69/12/197516912.db2.gz NNVBRZICESUANJ-ZDUSSCGKSA-N 1 0 320.389 3.240 20 5 DGBDRO Cc1c(C[NH2+][C@@H](CCO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000181491714 432131812 /nfs/dbraw/zinc/13/18/12/432131812.db2.gz IBVBPGAEMCZIEF-INIZCTEOSA-N 1 0 306.406 3.324 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)C(C)(C)C ZINC000181480675 432132538 /nfs/dbraw/zinc/13/25/38/432132538.db2.gz XAVLHRFJVWNOHF-MRXNPFEDSA-N 1 0 324.421 3.269 20 5 DGBDRO CCc1nc(C)c(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000494275903 246130059 /nfs/dbraw/zinc/13/00/59/246130059.db2.gz CZNDFIBUWXLNBW-VURMDHGXSA-N 1 0 301.346 3.257 20 5 DGBDRO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000268799192 432136413 /nfs/dbraw/zinc/13/64/13/432136413.db2.gz XVQTXAOJKTXCFY-IMJJTQAJSA-N 1 0 303.406 3.181 20 5 DGBDRO C[C@@H]1CCC[C@](CNCc2csc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000040668908 183115616 /nfs/dbraw/zinc/11/56/16/183115616.db2.gz HKJQZNBOHOHPOU-DOMZBBRYSA-N 1 0 311.451 3.256 20 5 DGBDRO CN(C(=O)C[N@H+](C)C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000105350975 194098965 /nfs/dbraw/zinc/09/89/65/194098965.db2.gz ODRSYCJVVJEZQV-UHFFFAOYSA-N 1 0 319.405 3.212 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000284857639 218209942 /nfs/dbraw/zinc/20/99/42/218209942.db2.gz RWYPHJWABSBZEC-GDBMZVCRSA-N 1 0 320.389 3.137 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1F ZINC000284885706 218221302 /nfs/dbraw/zinc/22/13/02/218221302.db2.gz WBKFRPMGAKWZQS-UHFFFAOYSA-N 1 0 308.353 3.127 20 5 DGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000191567036 284781782 /nfs/dbraw/zinc/78/17/82/284781782.db2.gz XCZAWWKYLFLTFR-RHSMWYFYSA-N 1 0 314.385 3.157 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000285295059 218369176 /nfs/dbraw/zinc/36/91/76/218369176.db2.gz KRXRYLTZGZBYFM-UHFFFAOYSA-N 1 0 315.329 3.178 20 5 DGBDRO CC(C)n1nccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285356139 218395035 /nfs/dbraw/zinc/39/50/35/218395035.db2.gz PYUIQTKMQIWBPO-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000268816630 206982256 /nfs/dbraw/zinc/98/22/56/206982256.db2.gz FSWBCSBEMSITCX-GRTSSRMGSA-N 1 0 319.405 3.001 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000268846033 207012862 /nfs/dbraw/zinc/01/28/62/207012862.db2.gz VLWZIQVTAQVDJM-DOMZBBRYSA-N 1 0 314.389 3.365 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000268873500 207042761 /nfs/dbraw/zinc/04/27/61/207042761.db2.gz LAGIIFNCQPFTHA-GDBMZVCRSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCNc2ccccn2)cccc1[N+](=O)[O-] ZINC000268956825 207121389 /nfs/dbraw/zinc/12/13/89/207121389.db2.gz DQTAWDKJBRNLIG-CYBMUJFWSA-N 1 0 300.362 3.061 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccncc1)C1CC1 ZINC000269008271 207160811 /nfs/dbraw/zinc/16/08/11/207160811.db2.gz LVBAVTITBGADQU-KRWDZBQOSA-N 1 0 311.385 3.143 20 5 DGBDRO CC[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269016792 207169475 /nfs/dbraw/zinc/16/94/75/207169475.db2.gz YVEPZGANCMUFNB-HZPDHXFCSA-N 1 0 323.462 3.073 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000119917272 195061882 /nfs/dbraw/zinc/06/18/82/195061882.db2.gz RJMNLZKCNKGQFK-CQSZACIVSA-N 1 0 316.361 3.140 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000286085976 218783859 /nfs/dbraw/zinc/78/38/59/218783859.db2.gz KGWDBWIBTIOXPZ-GZBFAFLISA-N 1 0 319.405 3.399 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000336853244 253008208 /nfs/dbraw/zinc/00/82/08/253008208.db2.gz FYDZAXIFNNKISS-RYUDHWBXSA-N 1 0 300.362 3.038 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000336969560 253028394 /nfs/dbraw/zinc/02/83/94/253028394.db2.gz BOLCZFSGWVTTMD-UKRRQHHQSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000337283753 253078488 /nfs/dbraw/zinc/07/84/88/253078488.db2.gz JBECKTADIPALEZ-OLZOCXBDSA-N 1 0 300.305 3.153 20 5 DGBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000337318905 253086178 /nfs/dbraw/zinc/08/61/78/253086178.db2.gz NFVPUDKIDQTHEK-UONOGXRCSA-N 1 0 319.405 3.291 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cs1 ZINC000337238311 253067695 /nfs/dbraw/zinc/06/76/95/253067695.db2.gz AAXJORCSLRJWFN-NXEZZACHSA-N 1 0 306.334 3.296 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000337557318 253138908 /nfs/dbraw/zinc/13/89/08/253138908.db2.gz SDSZKUSFTXQEIV-XDTLVQLUSA-N 1 0 300.305 3.406 20 5 DGBDRO C[C@@H]([NH2+]CCc1c[nH]c2ncccc12)c1ccc([N+](=O)[O-])cc1 ZINC000337655105 253155455 /nfs/dbraw/zinc/15/54/55/253155455.db2.gz DVSOUKVKHGCPNB-GFCCVEGCSA-N 1 0 310.357 3.364 20 5 DGBDRO CCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435390299 285103849 /nfs/dbraw/zinc/10/38/49/285103849.db2.gz AWOINZWKGZCVDK-ZDUSSCGKSA-N 1 0 311.813 3.212 20 5 DGBDRO Cc1cnc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000273011023 210391326 /nfs/dbraw/zinc/39/13/26/210391326.db2.gz SDGISJILQFLEAM-KBPBESRZSA-N 1 0 318.421 3.363 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000166873909 285114922 /nfs/dbraw/zinc/11/49/22/285114922.db2.gz RCZPYLZNUCUDKY-UHFFFAOYSA-N 1 0 322.162 3.042 20 5 DGBDRO Cc1cc(NCCC[NH+](C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338630156 253322597 /nfs/dbraw/zinc/32/25/97/253322597.db2.gz GDVXAPXFOGZKCC-UHFFFAOYSA-N 1 0 305.300 3.286 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000123109747 285116920 /nfs/dbraw/zinc/11/69/20/285116920.db2.gz LDUPHNOZXOYKEI-ZDUSSCGKSA-N 1 0 309.797 3.217 20 5 DGBDRO Cc1cccc(N(C)CCC[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000338723243 253341840 /nfs/dbraw/zinc/34/18/40/253341840.db2.gz FOVJTSMPWHTMJQ-UHFFFAOYSA-N 1 0 317.389 3.455 20 5 DGBDRO COCc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000338957491 253379229 /nfs/dbraw/zinc/37/92/29/253379229.db2.gz GGWZEYVOEIWIDT-UHFFFAOYSA-N 1 0 314.385 3.416 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CCCO)CC1 ZINC000272930180 210315940 /nfs/dbraw/zinc/31/59/40/210315940.db2.gz JWZMAICSTQCSJM-AWEZNQCLSA-N 1 0 306.406 3.449 20 5 DGBDRO Cc1ccc(CN(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271051261 208586377 /nfs/dbraw/zinc/58/63/77/208586377.db2.gz VTIIBZZWISJBOO-UHFFFAOYSA-N 1 0 305.422 3.208 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)cc1 ZINC000451544404 285139342 /nfs/dbraw/zinc/13/93/42/285139342.db2.gz FFRUPPDNNBQICH-DOTOQJQBSA-N 1 0 304.390 3.343 20 5 DGBDRO COCC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272880010 210271505 /nfs/dbraw/zinc/27/15/05/210271505.db2.gz VFWYWBWRDNKRCL-UHFFFAOYSA-N 1 0 315.373 3.314 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000492299380 285154644 /nfs/dbraw/zinc/15/46/44/285154644.db2.gz ZUZPGOHTXPLAGP-RYUDHWBXSA-N 1 0 310.781 3.107 20 5 DGBDRO CC(=O)c1cc(NCC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000342829756 254060428 /nfs/dbraw/zinc/06/04/28/254060428.db2.gz GROQKQSGEYUUPL-UHFFFAOYSA-N 1 0 319.405 3.331 20 5 DGBDRO CC[C@H](C)[NH2+][C@@H](CNc1nc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000343252166 254120848 /nfs/dbraw/zinc/12/08/48/254120848.db2.gz PZEWFOGQRSEETD-AAEUAGOBSA-N 1 0 318.377 3.433 20 5 DGBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ncc(C)cc1[N+](=O)[O-])c1ccco1 ZINC000343267418 254121756 /nfs/dbraw/zinc/12/17/56/254121756.db2.gz UXHNSDZWWQKDKI-OLZOCXBDSA-N 1 0 318.377 3.433 20 5 DGBDRO CC[C@H](C)[NH2+][C@@H](CNc1ncc(C)cc1[N+](=O)[O-])c1ccco1 ZINC000343267420 254121886 /nfs/dbraw/zinc/12/18/86/254121886.db2.gz UXHNSDZWWQKDKI-STQMWFEESA-N 1 0 318.377 3.433 20 5 DGBDRO CCCN(CC[NH+]1CCCCC1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000343370178 254132658 /nfs/dbraw/zinc/13/26/58/254132658.db2.gz QXIWNMLEUBYWCE-UHFFFAOYSA-N 1 0 306.410 3.001 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000343970748 254207730 /nfs/dbraw/zinc/20/77/30/254207730.db2.gz IOKJYUXUNINJLD-AWEZNQCLSA-N 1 0 319.405 3.474 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157313172 197179426 /nfs/dbraw/zinc/17/94/26/197179426.db2.gz MVGKIWIHSPSMKP-MRXNPFEDSA-N 1 0 303.406 3.045 20 5 DGBDRO CCOc1cc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343800012 254190122 /nfs/dbraw/zinc/19/01/22/254190122.db2.gz XVMNMBCDUXOTGH-ZFWWWQNUSA-N 1 0 319.405 3.057 20 5 DGBDRO CCOc1cc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343800002 254190329 /nfs/dbraw/zinc/19/03/29/254190329.db2.gz XVMNMBCDUXOTGH-HIFRSBDPSA-N 1 0 319.405 3.057 20 5 DGBDRO CCC(C)(C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343886489 254199576 /nfs/dbraw/zinc/19/95/76/254199576.db2.gz QFMWQJKFEANRON-UHFFFAOYSA-N 1 0 321.377 3.013 20 5 DGBDRO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000343888005 254200017 /nfs/dbraw/zinc/20/00/17/254200017.db2.gz UDFUFZWIXGQTKG-KBPBESRZSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344201924 254238646 /nfs/dbraw/zinc/23/86/46/254238646.db2.gz ACTNZXAIBZEBDX-PWSUYJOCSA-N 1 0 300.786 3.135 20 5 DGBDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000344329676 254257061 /nfs/dbraw/zinc/25/70/61/254257061.db2.gz NDVRSGYKAOSUGC-OAHLLOKOSA-N 1 0 318.373 3.234 20 5 DGBDRO Cc1cnc([C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C2CC2)s1 ZINC000344519089 254279213 /nfs/dbraw/zinc/27/92/13/254279213.db2.gz SFIRKZOPRAJHJJ-AWEZNQCLSA-N 1 0 319.386 3.306 20 5 DGBDRO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156971357 197153578 /nfs/dbraw/zinc/15/35/78/197153578.db2.gz ZQJCNEILRUKXRI-AWEZNQCLSA-N 1 0 321.421 3.202 20 5 DGBDRO CCN1CCC[C@@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344861819 254311275 /nfs/dbraw/zinc/31/12/75/254311275.db2.gz KADQQUMLGAKRNV-OOXMNIKJSA-N 1 0 303.406 3.072 20 5 DGBDRO COc1cc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)ccn1 ZINC000344872711 254312354 /nfs/dbraw/zinc/31/23/54/254312354.db2.gz MELFZUBSZMVGCG-MDWZMJQESA-N 1 0 313.357 3.192 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000430200885 533137048 /nfs/dbraw/zinc/13/70/48/533137048.db2.gz IFWHHNIQSJGWHV-DOTOQJQBSA-N 1 0 322.405 3.287 20 5 DGBDRO C[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000156688795 197133925 /nfs/dbraw/zinc/13/39/25/197133925.db2.gz HRGGYWJVYFKUDW-INIZCTEOSA-N 1 0 320.776 3.246 20 5 DGBDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156002905 197080013 /nfs/dbraw/zinc/08/00/13/197080013.db2.gz IYAANFLKNCHOQN-NSHDSACASA-N 1 0 303.362 3.401 20 5 DGBDRO O=c1cc(C[N@H+]2CCC[C@H](O)CC2)c2c(ccc3ccccc32)o1 ZINC000292976638 285217197 /nfs/dbraw/zinc/21/71/97/285217197.db2.gz AYUBFQBBXQDSLK-INIZCTEOSA-N 1 0 323.392 3.293 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000271583662 209032869 /nfs/dbraw/zinc/03/28/69/209032869.db2.gz XGAABCJEWPNHKM-OLZOCXBDSA-N 1 0 310.394 3.053 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000289497973 221020664 /nfs/dbraw/zinc/02/06/64/221020664.db2.gz SMCFUQIXEGGRDU-MRXNPFEDSA-N 1 0 320.776 3.462 20 5 DGBDRO Cc1ccc2ncc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])n2c1 ZINC000289657916 221133993 /nfs/dbraw/zinc/13/39/93/221133993.db2.gz YKHLZQYAQUWUCM-UHFFFAOYSA-N 1 0 324.384 3.225 20 5 DGBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289976959 221354779 /nfs/dbraw/zinc/35/47/79/221354779.db2.gz ZKFPDPCIENQXPS-GHMZBOCLSA-N 1 0 321.402 3.231 20 5 DGBDRO Cc1cc(NCC[C@@H](C)CCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000295011755 224377325 /nfs/dbraw/zinc/37/73/25/224377325.db2.gz SYDZTRYICJPNIU-LLVKDONJSA-N 1 0 303.362 3.272 20 5 DGBDRO CCn1cc([C@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000294997367 224367506 /nfs/dbraw/zinc/36/75/06/224367506.db2.gz ZNRZMAFNCHRBRV-KGLIPLIRSA-N 1 0 316.405 3.483 20 5 DGBDRO CC[NH+](CC)CCSc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000121566907 195307462 /nfs/dbraw/zinc/30/74/62/195307462.db2.gz WMEIAZMODVDBAA-UHFFFAOYSA-N 1 0 314.407 3.046 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Nc2ccc(CC[NH+](C)C)cc2)n1 ZINC000125186316 195721500 /nfs/dbraw/zinc/72/15/00/195721500.db2.gz LHXCDDKPHIJJRK-UHFFFAOYSA-N 1 0 300.362 3.146 20 5 DGBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000411892224 533317269 /nfs/dbraw/zinc/31/72/69/533317269.db2.gz LPPNYBIVPDCDOQ-MSOLQXFVSA-N 1 0 312.369 3.039 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC2(CCC2)C1 ZINC000470181331 533383750 /nfs/dbraw/zinc/38/37/50/533383750.db2.gz BBYYMHAIQLJJTR-UVTDQMKNSA-N 1 0 302.374 3.253 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(CO)c1 ZINC000468643392 533384075 /nfs/dbraw/zinc/38/40/75/533384075.db2.gz PRQWDTFIDUCTLC-ZSOIEALJSA-N 1 0 312.369 3.280 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]([NH+](C)C)C1 ZINC000470170263 533407414 /nfs/dbraw/zinc/40/74/14/533407414.db2.gz RGUZKBPMXXRDOI-SHRNQRGKSA-N 1 0 303.406 3.024 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000488570579 533407639 /nfs/dbraw/zinc/40/76/39/533407639.db2.gz DLAOHXHCCWAFDA-SPQRHKFCSA-N 1 0 317.433 3.270 20 5 DGBDRO C[C@@H](O)CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000433081297 533597518 /nfs/dbraw/zinc/59/75/18/533597518.db2.gz GNZGZWARKJGVJR-KDOFPFPSSA-N 1 0 314.385 3.435 20 5 DGBDRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330817093 533549869 /nfs/dbraw/zinc/54/98/69/533549869.db2.gz GIYGQXQOIQGYLR-IATRGZMQSA-N 1 0 319.405 3.336 20 5 DGBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000302149188 533612353 /nfs/dbraw/zinc/61/23/53/533612353.db2.gz LOJLOGPWURYRLP-NSHDSACASA-N 1 0 312.801 3.320 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000356773344 285482954 /nfs/dbraw/zinc/48/29/54/285482954.db2.gz CHIWUAATTXKVSQ-YDHLFZDLSA-N 1 0 322.405 3.459 20 5 DGBDRO C[N@H+](Cc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1CCC[C@H]1O ZINC000286562650 131241656 /nfs/dbraw/zinc/24/16/56/131241656.db2.gz PDRLTHLTBFKSAE-IAGOWNOFSA-N 1 0 323.392 3.291 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)C1CCCCC1 ZINC000595041099 400086042 /nfs/dbraw/zinc/08/60/42/400086042.db2.gz QYWYCJORQHLRJP-BLLLJJGKSA-N 1 0 322.405 3.195 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000595050432 400089573 /nfs/dbraw/zinc/08/95/73/400089573.db2.gz IFYMSSDPMDDAIU-CHWSQXEVSA-N 1 0 308.378 3.071 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1CO)CCC2 ZINC000584699742 400089813 /nfs/dbraw/zinc/08/98/13/400089813.db2.gz IFJGLMVEXNECSY-GOSISDBHSA-N 1 0 312.369 3.254 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056571 400093240 /nfs/dbraw/zinc/09/32/40/400093240.db2.gz MIBKTMMGCBCJRO-STQMWFEESA-N 1 0 321.421 3.127 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056533 400093419 /nfs/dbraw/zinc/09/34/19/400093419.db2.gz LFNGNFFVUVDADB-ZIAGYGMSSA-N 1 0 305.422 3.427 20 5 DGBDRO CC[C@H](CSC)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000091098788 400094436 /nfs/dbraw/zinc/09/44/36/400094436.db2.gz NHCVBTOVWZGGLE-SNVBAGLBSA-N 1 0 309.391 3.309 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595079505 400100992 /nfs/dbraw/zinc/10/09/92/400100992.db2.gz DYMAHKLWUOHKBD-ABAIWWIYSA-N 1 0 305.378 3.090 20 5 DGBDRO CCCN1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097570 400105526 /nfs/dbraw/zinc/10/55/26/400105526.db2.gz XQISLHZLSKMYAQ-YOEHRIQHSA-N 1 0 303.406 3.046 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]1(C)CC1(C)C ZINC000595106576 400107760 /nfs/dbraw/zinc/10/77/60/400107760.db2.gz VJFWUEHSXJJFAM-ZBEGNZNMSA-N 1 0 305.378 3.090 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC1(C)C ZINC000595105392 400108188 /nfs/dbraw/zinc/10/81/88/400108188.db2.gz GBKYRHBEWNFAAD-UKRRQHHQSA-N 1 0 306.406 3.321 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000595106036 400108270 /nfs/dbraw/zinc/10/82/70/400108270.db2.gz GVDDHIYZDIBJKR-GXTWGEPZSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(CO)CCCCC1 ZINC000595026880 400080385 /nfs/dbraw/zinc/08/03/85/400080385.db2.gz ODQSYLNMKXOTIO-CYBMUJFWSA-N 1 0 322.405 3.197 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000595027009 400080781 /nfs/dbraw/zinc/08/07/81/400080781.db2.gz KUZBTAKXNCUPNQ-YWPYICTPSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000595027010 400081752 /nfs/dbraw/zinc/08/17/52/400081752.db2.gz KUZBTAKXNCUPNQ-ZOWXZIJZSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000090909960 400082658 /nfs/dbraw/zinc/08/26/58/400082658.db2.gz WXXNVXXQSMDEFC-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000595031968 400083094 /nfs/dbraw/zinc/08/30/94/400083094.db2.gz KEDIONUTCHZSDM-RBOXIYTFSA-N 1 0 320.389 3.212 20 5 DGBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595525228 400178054 /nfs/dbraw/zinc/17/80/54/400178054.db2.gz PXKUFCOHTBUOMD-HOCLYGCPSA-N 1 0 312.385 3.113 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH+]1CCCCC1 ZINC000091454633 400119815 /nfs/dbraw/zinc/11/98/15/400119815.db2.gz ZJQTUTBIGJJTSX-AWEZNQCLSA-N 1 0 321.421 3.275 20 5 DGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)C1CC1 ZINC000091459890 400120997 /nfs/dbraw/zinc/12/09/97/400120997.db2.gz DGPHYZQRXAVTNA-UHFFFAOYSA-N 1 0 307.394 3.278 20 5 DGBDRO Cc1noc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595308404 400123724 /nfs/dbraw/zinc/12/37/24/400123724.db2.gz IUVXYUAVQVRUJT-HNNXBMFYSA-N 1 0 315.373 3.488 20 5 DGBDRO Cc1noc(C[N@@H+]2CC[C@H](c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000595302933 400124012 /nfs/dbraw/zinc/12/40/12/400124012.db2.gz XLXMOMYUHZICGV-ZDUSSCGKSA-N 1 0 301.346 3.189 20 5 DGBDRO Cc1noc(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595322150 400126768 /nfs/dbraw/zinc/12/67/68/400126768.db2.gz MGRLFWSXLHFJKT-FZMZJTMJSA-N 1 0 301.346 3.269 20 5 DGBDRO C[C@H](CN1CCCCC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000608836335 400127716 /nfs/dbraw/zinc/12/77/16/400127716.db2.gz KSIAGROEPYCJIO-SOIVGHGOSA-N 1 0 303.406 3.072 20 5 DGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595327481 400128675 /nfs/dbraw/zinc/12/86/75/400128675.db2.gz OURVLIKCXFQJKM-HNNXBMFYSA-N 1 0 309.385 3.040 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000608886429 400130595 /nfs/dbraw/zinc/13/05/95/400130595.db2.gz SMAALUBIVSSZBW-UHFFFAOYSA-N 1 0 307.394 3.128 20 5 DGBDRO CC1CCC([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000609670943 400186060 /nfs/dbraw/zinc/18/60/60/400186060.db2.gz YFTBZRREOSCESK-UHFFFAOYSA-N 1 0 303.406 3.296 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000316490364 400150375 /nfs/dbraw/zinc/15/03/75/400150375.db2.gz XXXCFTFLKPBOHE-LSDHHAIUSA-N 1 0 323.824 3.355 20 5 DGBDRO CCCC[N@H+](CCOC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705111 400187186 /nfs/dbraw/zinc/18/71/86/400187186.db2.gz QHHCLKKEDASTBK-UHFFFAOYSA-N 1 0 300.786 3.497 20 5 DGBDRO Cc1noc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595450502 400154659 /nfs/dbraw/zinc/15/46/59/400154659.db2.gz NWUXYCHFBJPEHM-GJZGRUSLSA-N 1 0 315.373 3.392 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC000586789319 400156881 /nfs/dbraw/zinc/15/68/81/400156881.db2.gz CKSUITIPTFBILL-SNVBAGLBSA-N 1 0 313.313 3.292 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCc3sccc3C2)c1 ZINC000609322595 400159148 /nfs/dbraw/zinc/15/91/48/400159148.db2.gz FPIQYYXIOFGYIK-UHFFFAOYSA-N 1 0 318.398 3.484 20 5 DGBDRO Cc1noc(C[N@@H+]2CC[C@H](c3ccc(C)cc3C)C2)c1[N+](=O)[O-] ZINC000595468111 400160307 /nfs/dbraw/zinc/16/03/07/400160307.db2.gz JFYDFRLBLAROHD-AWEZNQCLSA-N 1 0 315.373 3.498 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c2ccncc21 ZINC000609384350 400164059 /nfs/dbraw/zinc/16/40/59/400164059.db2.gz MHVOXMILDLCXAC-CYBMUJFWSA-N 1 0 312.373 3.039 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C)CC1 ZINC000015378739 400165577 /nfs/dbraw/zinc/16/55/77/400165577.db2.gz FAQNYYLHNHKOQD-GFCCVEGCSA-N 1 0 316.361 3.438 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000595502213 400170614 /nfs/dbraw/zinc/17/06/14/400170614.db2.gz QXFBHAIHBPAYAZ-CYBMUJFWSA-N 1 0 321.396 3.040 20 5 DGBDRO C[NH+](C)C1(CNc2ccsc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000610279393 400233007 /nfs/dbraw/zinc/23/30/07/400233007.db2.gz IJEWBTDRRJGYJL-UHFFFAOYSA-N 1 0 317.414 3.167 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CCO ZINC000595706958 400237529 /nfs/dbraw/zinc/23/75/29/400237529.db2.gz ZPSBYBOXPISHGD-ABAIWWIYSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610342105 400245010 /nfs/dbraw/zinc/24/50/10/400245010.db2.gz QQGPXZCCPDZHPI-CHWSQXEVSA-N 1 0 319.405 3.480 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cs1 ZINC000601136859 400245425 /nfs/dbraw/zinc/24/54/25/400245425.db2.gz ZNSWNMFXJNQNMX-HIFRSBDPSA-N 1 0 304.371 3.276 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CCF)C2)c2c(c1)COCO2 ZINC000595754793 400251695 /nfs/dbraw/zinc/25/16/95/400251695.db2.gz CBZGIDIVEXOQHP-GFCCVEGCSA-N 1 0 324.352 3.033 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000026161212 400253473 /nfs/dbraw/zinc/25/34/73/400253473.db2.gz SVGYXQXSMCTIBY-CHWSQXEVSA-N 1 0 319.405 3.210 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595602575 400200306 /nfs/dbraw/zinc/20/03/06/400200306.db2.gz XKPVHSOHYQFGOE-GFCCVEGCSA-N 1 0 321.377 3.013 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000610390806 400254254 /nfs/dbraw/zinc/25/42/54/400254254.db2.gz BNUQEHCXALUZKW-INIZCTEOSA-N 1 0 317.389 3.106 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000026157251 400254245 /nfs/dbraw/zinc/25/42/45/400254245.db2.gz DFHZGWPPDWDHGJ-UHFFFAOYSA-N 1 0 313.357 3.055 20 5 DGBDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595638301 400215421 /nfs/dbraw/zinc/21/54/21/400215421.db2.gz FWDWTVSSIGOTJA-LBPRGKRZSA-N 1 0 307.394 3.256 20 5 DGBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000067903509 400215537 /nfs/dbraw/zinc/21/55/37/400215537.db2.gz XXHSSDVKPWMKIY-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCC2=O)CC1 ZINC000595804738 400264317 /nfs/dbraw/zinc/26/43/17/400264317.db2.gz CTTSOMDFJOMAOV-CYBMUJFWSA-N 1 0 302.374 3.491 20 5 DGBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000595820805 400269353 /nfs/dbraw/zinc/26/93/53/400269353.db2.gz WRNFFJNOJQOPGX-IYXRBSQSSA-N 1 0 310.369 3.480 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(CC(C)C)CC1 ZINC000595829950 400272884 /nfs/dbraw/zinc/27/28/84/400272884.db2.gz BIDDZQOCNARLAP-UHFFFAOYSA-N 1 0 305.378 3.010 20 5 DGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206614 400276605 /nfs/dbraw/zinc/27/66/05/400276605.db2.gz WYFLZIURQOAQCD-CJNGLKHVSA-N 1 0 323.824 3.164 20 5 DGBDRO CC[NH+](CC)CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596051498 400305144 /nfs/dbraw/zinc/30/51/44/400305144.db2.gz PWEOBVDZSGWIDC-UHFFFAOYSA-N 1 0 301.774 3.011 20 5 DGBDRO CC(C)(C)Oc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596087162 400313064 /nfs/dbraw/zinc/31/30/64/400313064.db2.gz FXYLKGYFUKHEKG-CYBMUJFWSA-N 1 0 319.405 3.421 20 5 DGBDRO C[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094297 400315482 /nfs/dbraw/zinc/31/54/82/400315482.db2.gz JRYFJXFPWMMJBU-ZBFHGGJFSA-N 1 0 317.433 3.367 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595783058 400258164 /nfs/dbraw/zinc/25/81/64/400258164.db2.gz MNWSCWYPSHBCFG-QGZVFWFLSA-N 1 0 304.390 3.376 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000611335743 400379461 /nfs/dbraw/zinc/37/94/61/400379461.db2.gz YMJWHRTYRDWDBI-ZDUSSCGKSA-N 1 0 315.373 3.336 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(F)c1 ZINC000611350898 400383896 /nfs/dbraw/zinc/38/38/96/400383896.db2.gz MUYSULOOLFYIDW-KBPBESRZSA-N 1 0 322.380 3.373 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000611370386 400385758 /nfs/dbraw/zinc/38/57/58/400385758.db2.gz LSANEOQYBIUDSX-JHJVBQTASA-N 1 0 309.435 3.498 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000610946682 400327138 /nfs/dbraw/zinc/32/71/38/400327138.db2.gz BOGBHGAMMKNOTB-DGCLKSJQSA-N 1 0 307.419 3.109 20 5 DGBDRO O=[N+]([O-])c1sccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000610946712 400327178 /nfs/dbraw/zinc/32/71/78/400327178.db2.gz SRRZORVQWDNRSP-DGCLKSJQSA-N 1 0 307.419 3.109 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000610946681 400327239 /nfs/dbraw/zinc/32/72/39/400327239.db2.gz BOGBHGAMMKNOTB-AAEUAGOBSA-N 1 0 307.419 3.109 20 5 DGBDRO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596170868 400339545 /nfs/dbraw/zinc/33/95/45/400339545.db2.gz YKLFVZIOMBPUHG-GXTWGEPZSA-N 1 0 321.446 3.418 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C2CC2)CC1 ZINC000590008682 400347862 /nfs/dbraw/zinc/34/78/62/400347862.db2.gz RNNLAONGOILMJP-LBPRGKRZSA-N 1 0 317.389 3.044 20 5 DGBDRO CSC[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590026375 400347890 /nfs/dbraw/zinc/34/78/90/400347890.db2.gz IMMWBEJSUHURDK-CQSZACIVSA-N 1 0 324.446 3.439 20 5 DGBDRO O=[N+]([O-])c1c(NCCC[NH2+]C2CCCCC2)nc2sccn21 ZINC000031556711 400349493 /nfs/dbraw/zinc/34/94/93/400349493.db2.gz DSWYZWKMPARRLK-UHFFFAOYSA-N 1 0 323.422 3.028 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CC(Cc3ccc(F)cc3)C2)cc1 ZINC000611172839 400353711 /nfs/dbraw/zinc/35/37/11/400353711.db2.gz IOXDQIHDOGCDRW-UHFFFAOYSA-N 1 0 300.333 3.408 20 5 DGBDRO C[N@@H+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC12CCCCC2 ZINC000596249885 400360560 /nfs/dbraw/zinc/36/05/60/400360560.db2.gz BVBAAWWULKCMAS-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO C[NH+](C)C1CCC2(CC1)CCN(c1cccnc1[N+](=O)[O-])CC2 ZINC000596255029 400362489 /nfs/dbraw/zinc/36/24/89/400362489.db2.gz INLSGGZDXYGZJD-UHFFFAOYSA-N 1 0 318.421 3.081 20 5 DGBDRO COc1ccc(OC[C@@H]2CCCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000596276169 400368992 /nfs/dbraw/zinc/36/89/92/400368992.db2.gz GNMSEECNYKIAIE-ZDUSSCGKSA-N 1 0 308.378 3.245 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCCO)C3CC3)o2)cc1 ZINC000611271603 400370861 /nfs/dbraw/zinc/37/08/61/400370861.db2.gz MFQAOSZWGQEDBJ-UHFFFAOYSA-N 1 0 316.357 3.202 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCCO)C2CC2)o1 ZINC000611271604 400370934 /nfs/dbraw/zinc/37/09/34/400370934.db2.gz MSVIXJOCPQYWOP-UHFFFAOYSA-N 1 0 316.357 3.202 20 5 DGBDRO CCOc1cccc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596309440 400376778 /nfs/dbraw/zinc/37/67/78/400376778.db2.gz RWQJDSLTEMDBNN-GFCCVEGCSA-N 1 0 307.394 3.278 20 5 DGBDRO CCC(=O)c1ccc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596309883 400377097 /nfs/dbraw/zinc/37/70/97/400377097.db2.gz ZFINAWQSBOOBQP-CYBMUJFWSA-N 1 0 319.405 3.472 20 5 DGBDRO Cc1cc(NCC[C@H](C)[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000596427228 400413434 /nfs/dbraw/zinc/41/34/34/400413434.db2.gz BMOTXMGGHZSVJY-LBPRGKRZSA-N 1 0 302.378 3.204 20 5 DGBDRO COc1ccc(C[C@](C)([NH3+])CNc2sccc2[N+](=O)[O-])cc1 ZINC000611414737 400397286 /nfs/dbraw/zinc/39/72/86/400397286.db2.gz SICPLYMJAUMJNY-HNNXBMFYSA-N 1 0 321.402 3.037 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2cc(OC)c(C)cc2[N+](=O)[O-])C1 ZINC000590573589 400397744 /nfs/dbraw/zinc/39/77/44/400397744.db2.gz DDNOKMJFCBFAJX-CYBMUJFWSA-N 1 0 307.394 3.056 20 5 DGBDRO Cc1n[nH]cc1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611522218 400415636 /nfs/dbraw/zinc/41/56/36/400415636.db2.gz ZRBOWIVNDSVKKM-VIFPVBQESA-N 1 0 308.769 3.173 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1cocn1 ZINC000611473899 400408511 /nfs/dbraw/zinc/40/85/11/400408511.db2.gz BJIPQSPJZLLKMA-SWLSCSKDSA-N 1 0 301.346 3.084 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000116273069 400408542 /nfs/dbraw/zinc/40/85/42/400408542.db2.gz NPUWDUJDDJICMP-LLVKDONJSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCCC2)cn1 ZINC000072883718 400411891 /nfs/dbraw/zinc/41/18/91/400411891.db2.gz QUCMVKFJPCQGNW-UHFFFAOYSA-N 1 0 312.373 3.198 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000590689651 400416236 /nfs/dbraw/zinc/41/62/36/400416236.db2.gz SWGNNFAMIRLAHV-CYBMUJFWSA-N 1 0 312.373 3.039 20 5 DGBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596569706 400446395 /nfs/dbraw/zinc/44/63/95/400446395.db2.gz CRMKZFCRKJOLDR-AWEZNQCLSA-N 1 0 319.405 3.137 20 5 DGBDRO CS[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602573046 400500657 /nfs/dbraw/zinc/50/06/57/400500657.db2.gz XGAOHYMTEPUBCY-QMMMGPOBSA-N 1 0 308.325 3.455 20 5 DGBDRO CCC(C)(C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000074320287 400504223 /nfs/dbraw/zinc/50/42/23/400504223.db2.gz HZZJROCTWKUZMF-UHFFFAOYSA-N 1 0 307.394 3.352 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCN1 ZINC000591275680 400505812 /nfs/dbraw/zinc/50/58/12/400505812.db2.gz XCVSMHBQRRWCTQ-UAGQMJEPSA-N 1 0 317.433 3.038 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCCCS3)nc2c1 ZINC000602604842 400509299 /nfs/dbraw/zinc/50/92/99/400509299.db2.gz OUWWTZKMDNANHA-LLVKDONJSA-N 1 0 307.375 3.111 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000073861320 400473127 /nfs/dbraw/zinc/47/31/27/400473127.db2.gz DSTYEJOZZGCXOM-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(N)c2)cc1[N+](=O)[O-] ZINC000596653057 400473634 /nfs/dbraw/zinc/47/36/34/400473634.db2.gz ZGWLWQSJJOGZCD-GFCCVEGCSA-N 1 0 315.373 3.427 20 5 DGBDRO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1nccs1 ZINC000602613713 400512081 /nfs/dbraw/zinc/51/20/81/400512081.db2.gz PCJBXEAYOUKXHD-VIFPVBQESA-N 1 0 318.358 3.086 20 5 DGBDRO C[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602510402 400483696 /nfs/dbraw/zinc/48/36/96/400483696.db2.gz NHOILNFQZLYWOP-ZFWWWQNUSA-N 1 0 318.421 3.127 20 5 DGBDRO Cc1ccc2c(c1)nc(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)n2C ZINC000602620631 400514195 /nfs/dbraw/zinc/51/41/95/400514195.db2.gz YTTYPHQCMFRVQC-UHFFFAOYSA-N 1 0 324.384 3.122 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCOC3CCCC3)nc2c1 ZINC000602533866 400491067 /nfs/dbraw/zinc/49/10/67/400491067.db2.gz QBGYPIIYOVWABM-UHFFFAOYSA-N 1 0 319.361 3.175 20 5 DGBDRO C[C@@H](CCC1CC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602619048 400513078 /nfs/dbraw/zinc/51/30/78/400513078.db2.gz KOTQMMGKIOFDQP-ZDUSSCGKSA-N 1 0 318.421 3.127 20 5 DGBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602556617 400494812 /nfs/dbraw/zinc/49/48/12/400494812.db2.gz TYVAMXXADXZILI-GFCCVEGCSA-N 1 0 320.311 3.110 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+]CCC2CC2)cc1Br ZINC000602560870 400495876 /nfs/dbraw/zinc/49/58/76/400495876.db2.gz AAAWHCGUIZMGQT-UHFFFAOYSA-N 1 0 305.197 3.309 20 5 DGBDRO CC[C@@H](C)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602561933 400496909 /nfs/dbraw/zinc/49/69/09/400496909.db2.gz RRDUARIXPDCXNI-ZIAGYGMSSA-N 1 0 320.437 3.373 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC1CC1)C1CCCCC1 ZINC000602773390 400570070 /nfs/dbraw/zinc/57/00/70/400570070.db2.gz PMZDNTVYJYLLQM-UHFFFAOYSA-N 1 0 306.410 3.144 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000602791171 400574835 /nfs/dbraw/zinc/57/48/35/400574835.db2.gz MAJAGNGOXFVJLC-CYBMUJFWSA-N 1 0 314.389 3.325 20 5 DGBDRO Cc1ncc([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000602657271 400527614 /nfs/dbraw/zinc/52/76/14/400527614.db2.gz DAACIRTVXIHFSY-ZDUSSCGKSA-N 1 0 314.389 3.237 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](NCC[NH2+]C2CC2)c2ccccc2)c1 ZINC000591577243 400541102 /nfs/dbraw/zinc/54/11/02/400541102.db2.gz FXRFUBSPBZPAOU-SFHVURJKSA-N 1 0 311.385 3.026 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000618197875 400546772 /nfs/dbraw/zinc/54/67/72/400546772.db2.gz OLIQLIXXKLUURD-NJELEJDNSA-N 1 0 324.380 3.461 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cs1 ZINC000618197906 400547333 /nfs/dbraw/zinc/54/73/33/400547333.db2.gz VOLUDVQZXXRQHH-CYBMUJFWSA-N 1 0 304.371 3.009 20 5 DGBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000612461471 400549772 /nfs/dbraw/zinc/54/97/72/400549772.db2.gz DRNHRNHFKDOACK-NSHDSACASA-N 1 0 319.361 3.319 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000602807515 400579954 /nfs/dbraw/zinc/57/99/54/400579954.db2.gz VHVRUCNHOXMZJT-ZDUSSCGKSA-N 1 0 316.405 3.056 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000602806861 400580703 /nfs/dbraw/zinc/58/07/03/400580703.db2.gz QPGLBNJJSBMIRC-CYBMUJFWSA-N 1 0 302.378 3.067 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000602764842 400567249 /nfs/dbraw/zinc/56/72/49/400567249.db2.gz ZSMHBRMAFVBXOJ-AEGPPILISA-N 1 0 306.410 3.000 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCCc1ccccc1 ZINC000602768177 400569365 /nfs/dbraw/zinc/56/93/65/400569365.db2.gz WYHMBLVHZKQEBA-UHFFFAOYSA-N 1 0 316.405 3.054 20 5 DGBDRO Cc1ncc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000602957908 400614929 /nfs/dbraw/zinc/61/49/29/400614929.db2.gz WCERQOORFWZQNZ-JTQLQIEISA-N 1 0 307.375 3.089 20 5 DGBDRO Cc1c(C[N@H+]2CC3(C[C@H]2C)CCOCC3)cccc1[N+](=O)[O-] ZINC000592182232 400619558 /nfs/dbraw/zinc/61/95/58/400619558.db2.gz MXFPUIKUADYULO-CYBMUJFWSA-N 1 0 304.390 3.294 20 5 DGBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000592193362 400622024 /nfs/dbraw/zinc/62/20/24/400622024.db2.gz MDADQDKLVBPGFG-CQSZACIVSA-N 1 0 304.390 3.171 20 5 DGBDRO CC(C)Cn1nccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000592365252 400638436 /nfs/dbraw/zinc/63/84/36/400638436.db2.gz MFKUVVSCQJVTGE-UHFFFAOYSA-N 1 0 316.405 3.472 20 5 DGBDRO COCC1(C2CCC2)C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597191997 400581754 /nfs/dbraw/zinc/58/17/54/400581754.db2.gz NZAUSYPDNJNDSU-ALCCZGGFSA-N 1 0 316.401 3.357 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000602818818 400584352 /nfs/dbraw/zinc/58/43/52/400584352.db2.gz YZKHIUMAMASXNU-NSHDSACASA-N 1 0 314.345 3.197 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)Cc1ccc(C)cc1 ZINC000602847533 400589871 /nfs/dbraw/zinc/58/98/71/400589871.db2.gz VLXZCUFVOOFFLD-UHFFFAOYSA-N 1 0 316.405 3.019 20 5 DGBDRO CC(C)(CO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000136066653 400590420 /nfs/dbraw/zinc/59/04/20/400590420.db2.gz KWRDGPHGUUXEES-UHFFFAOYSA-N 1 0 320.414 3.431 20 5 DGBDRO CC(C)[C@@H](O)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000597222954 400591691 /nfs/dbraw/zinc/59/16/91/400591691.db2.gz QLRFATCEXRLPMV-QZTJIDSGSA-N 1 0 314.385 3.443 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000597231214 400593631 /nfs/dbraw/zinc/59/36/31/400593631.db2.gz OIGSBTRFBSEDIW-HUUCEWRRSA-N 1 0 304.390 3.187 20 5 DGBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592374815 400641235 /nfs/dbraw/zinc/64/12/35/400641235.db2.gz KSGFCZUEKFSUOF-ZYHUDNBSSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000597665043 400657590 /nfs/dbraw/zinc/65/75/90/400657590.db2.gz DFKWWHJEHVRJSR-OBJOEFQTSA-N 1 0 319.405 3.411 20 5 DGBDRO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000076415927 400653304 /nfs/dbraw/zinc/65/33/04/400653304.db2.gz LWXKTVVDFIJNFR-UHFFFAOYSA-N 1 0 308.378 3.149 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157756252 400720522 /nfs/dbraw/zinc/72/05/22/400720522.db2.gz WRHQHAXEFWEVBP-WBVHZDCISA-N 1 0 303.406 3.120 20 5 DGBDRO O=[N+]([O-])c1ncccc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000603837379 400720616 /nfs/dbraw/zinc/72/06/16/400720616.db2.gz MCBPEIPLEXEQFH-CQSZACIVSA-N 1 0 316.361 3.222 20 5 DGBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618987898 400740519 /nfs/dbraw/zinc/74/05/19/400740519.db2.gz BWIPRZZIFDEWKA-KKUMJFAQSA-N 1 0 304.390 3.066 20 5 DGBDRO Cc1cc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)on1 ZINC000052822091 400748512 /nfs/dbraw/zinc/74/85/12/400748512.db2.gz NHVKDISNGWWTRD-OAHLLOKOSA-N 1 0 301.346 3.271 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+]C2(C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000593082491 400757292 /nfs/dbraw/zinc/75/72/92/400757292.db2.gz WHJHVWNJQDBXCB-UHFFFAOYSA-N 1 0 317.389 3.154 20 5 DGBDRO CCc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000593595111 400878111 /nfs/dbraw/zinc/87/81/11/400878111.db2.gz BJHKKMJXECPJEK-UHFFFAOYSA-N 1 0 300.358 3.456 20 5 DGBDRO CN(Cc1ccccc1[N+](=O)[O-])c1cc[nH+]c2c(O)cccc12 ZINC000619475803 400853597 /nfs/dbraw/zinc/85/35/97/400853597.db2.gz RVGKYFMMOAOYGP-UHFFFAOYSA-N 1 0 309.325 3.485 20 5 DGBDRO CC1CC(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598676249 400855795 /nfs/dbraw/zinc/85/57/95/400855795.db2.gz FVKAZWYBLWHMFV-SEEARECTSA-N 1 0 314.389 3.053 20 5 DGBDRO CC(C)c1ccc(CN2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721451 400864826 /nfs/dbraw/zinc/86/48/26/400864826.db2.gz VTJSUVJJSWIIQW-PBHICJAKSA-N 1 0 303.406 3.031 20 5 DGBDRO C[C@@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)C1CC[NH+](C)CC1 ZINC000599043256 400937146 /nfs/dbraw/zinc/93/71/46/400937146.db2.gz HLEFFSQTMGYCMQ-GFCCVEGCSA-N 1 0 314.389 3.285 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000599084394 400955668 /nfs/dbraw/zinc/95/56/68/400955668.db2.gz CAVIVCLKUCTDMJ-PVUWLOKVSA-N 1 0 304.390 3.073 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000599058031 400942604 /nfs/dbraw/zinc/94/26/04/400942604.db2.gz IAGBTNHKLJQLQC-YJBOKZPZSA-N 1 0 324.380 3.313 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cccc([N+](=O)[O-])c1 ZINC000599062383 400945017 /nfs/dbraw/zinc/94/50/17/400945017.db2.gz WZFPXYVKKVRGHE-ACJLOTCBSA-N 1 0 312.369 3.387 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000599062853 400945223 /nfs/dbraw/zinc/94/52/23/400945223.db2.gz VPOBUDASBSSWSZ-YPMHNXCESA-N 1 0 312.373 3.180 20 5 DGBDRO C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069584 400948143 /nfs/dbraw/zinc/94/81/43/400948143.db2.gz HVZXIUGSXDYSBC-KDOFPFPSSA-N 1 0 317.433 3.294 20 5 DGBDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000593695159 400893576 /nfs/dbraw/zinc/89/35/76/400893576.db2.gz XNTFPXMCGDBGIU-LBPRGKRZSA-N 1 0 304.346 3.058 20 5 DGBDRO C[C@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000619844461 400909377 /nfs/dbraw/zinc/90/93/77/400909377.db2.gz ASQMEFDOHLSRHI-OLZOCXBDSA-N 1 0 306.410 3.158 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCCC1 ZINC000056197339 400914086 /nfs/dbraw/zinc/91/40/86/400914086.db2.gz FOUPIKQVOKCZTR-QWHCGFSZSA-N 1 0 319.405 3.083 20 5 DGBDRO CCC[C@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358159689 285985982 /nfs/dbraw/zinc/98/59/82/285985982.db2.gz RHYSMLYVKPZWKB-HOCLYGCPSA-N 1 0 319.405 3.035 20 5 DGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599021272 400928668 /nfs/dbraw/zinc/92/86/68/400928668.db2.gz GHKORXIQRCNWGL-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO COC(=O)CC1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000599024182 400930542 /nfs/dbraw/zinc/93/05/42/400930542.db2.gz MIXJYCYUKABEDJ-OPFPJEHXSA-N 1 0 320.389 3.367 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599032759 400933049 /nfs/dbraw/zinc/93/30/49/400933049.db2.gz WDARCWLGQNJXKG-ZDUSSCGKSA-N 1 0 314.389 3.285 20 5 DGBDRO CC[N@H+](CCNc1ccc2cnccc2c1[N+](=O)[O-])C1CC1 ZINC000599037616 400934143 /nfs/dbraw/zinc/93/41/43/400934143.db2.gz JKQXSGWHQRQFMW-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000599041488 400935327 /nfs/dbraw/zinc/93/53/27/400935327.db2.gz DNBBHOHWTRYATP-XHDPSFHLSA-N 1 0 312.797 3.338 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c(Cl)c1 ZINC000599165839 400982698 /nfs/dbraw/zinc/98/26/98/400982698.db2.gz UIDIOMAXXSNMDN-NSHDSACASA-N 1 0 310.785 3.072 20 5 DGBDRO COC(=O)CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000599270426 401007476 /nfs/dbraw/zinc/00/74/76/401007476.db2.gz JJXAQTGVIKDGME-UHFFFAOYSA-N 1 0 308.378 3.149 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080960135 401007706 /nfs/dbraw/zinc/00/77/06/401007706.db2.gz WGEUPPIMYDPWJW-JSGCOSHPSA-N 1 0 300.362 3.259 20 5 DGBDRO C[N@@H+]1CCCC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000599141821 400974683 /nfs/dbraw/zinc/97/46/83/400974683.db2.gz RSMSRWKHJOCIQB-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CC1(C)CCC[C@@](CO)([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599593430 401088248 /nfs/dbraw/zinc/08/82/48/401088248.db2.gz DGWXWUSCBSOICK-QGZVFWFLSA-N 1 0 306.406 3.058 20 5 DGBDRO CC1(C)CCC[C@@](CO)([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000599596355 401088886 /nfs/dbraw/zinc/08/88/86/401088886.db2.gz RRAOBDFTTKOOTB-MRXNPFEDSA-N 1 0 310.369 3.155 20 5 DGBDRO O=[N+]([O-])c1sccc1NCc1ccccc1-n1ccnc1 ZINC000615496281 401092089 /nfs/dbraw/zinc/09/20/89/401092089.db2.gz RENUAUXDTCNXFO-UHFFFAOYSA-N 1 0 300.343 3.454 20 5 DGBDRO Cc1cccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000280516200 401151683 /nfs/dbraw/zinc/15/16/83/401151683.db2.gz HGFOVPGZOQLBMF-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(C2CC2)o1 ZINC000600155937 401199269 /nfs/dbraw/zinc/19/92/69/401199269.db2.gz JCZQXGHKCKTCDQ-UHFFFAOYSA-N 1 0 301.346 3.135 20 5 DGBDRO CCCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000063615716 401203836 /nfs/dbraw/zinc/20/38/36/401203836.db2.gz YWOSXCHOWNSOQS-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000088726967 401206386 /nfs/dbraw/zinc/20/63/86/401206386.db2.gz CNGMDWXSTBUIQY-UHFFFAOYSA-N 1 0 321.421 3.205 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)cc1[N+](=O)[O-] ZINC000615943118 401184918 /nfs/dbraw/zinc/18/49/18/401184918.db2.gz AJNZHQIDXFEXBA-OAHLLOKOSA-N 1 0 316.405 3.166 20 5 DGBDRO CCC[C@@H]([NH2+]CCc1ncc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000358359164 286041296 /nfs/dbraw/zinc/04/12/96/286041296.db2.gz ATHAWPFHPNHRBP-MRXNPFEDSA-N 1 0 314.389 3.367 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595005938 401227340 /nfs/dbraw/zinc/22/73/40/401227340.db2.gz GIVOIDQCBCFPOT-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cccs3)CC2)s1 ZINC000064029820 401228256 /nfs/dbraw/zinc/22/82/56/401228256.db2.gz BHORHAULNWTHKR-UHFFFAOYSA-N 1 0 323.443 3.083 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](OC)C(C)(C)C ZINC000595015027 401232610 /nfs/dbraw/zinc/23/26/10/401232610.db2.gz WOJZXCCIFHPLGF-ABAIWWIYSA-N 1 0 310.394 3.315 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000595013982 401232840 /nfs/dbraw/zinc/23/28/40/401232840.db2.gz TVZVHTHWHCRSPY-MLGOLLRUSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1c(C)noc1C ZINC000595021489 401235942 /nfs/dbraw/zinc/23/59/42/401235942.db2.gz YLJGUZXPPHTEQS-JTQLQIEISA-N 1 0 319.361 3.102 20 5 DGBDRO C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000066241846 401297919 /nfs/dbraw/zinc/29/79/19/401297919.db2.gz YQMCDTXRSNJVOK-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CN(CCC[NH+]1CCCC1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000358672754 286121005 /nfs/dbraw/zinc/12/10/05/286121005.db2.gz FNLOLSWHOJNMEC-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO Cc1c[nH+]ccc1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000358901765 286182204 /nfs/dbraw/zinc/18/22/04/286182204.db2.gz LBSYHKHAQMVMPV-UHFFFAOYSA-N 1 0 311.263 3.351 20 5 DGBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000358979039 286204586 /nfs/dbraw/zinc/20/45/86/286204586.db2.gz FYLGMTNUTSXUMY-CYBMUJFWSA-N 1 0 315.826 3.097 20 5 DGBDRO O=[N+]([O-])c1ccc(N(CC[NH+]2CCCCCC2)C2CCC2)nc1 ZINC000359967082 286398755 /nfs/dbraw/zinc/39/87/55/286398755.db2.gz DXDDRKYQJUBFPR-UHFFFAOYSA-N 1 0 318.421 3.225 20 5 DGBDRO Cc1ccc([C@@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000360661491 286516520 /nfs/dbraw/zinc/51/65/20/286516520.db2.gz AXJUTXKOCMNSDE-MRXNPFEDSA-N 1 0 314.389 3.321 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000178703829 164845771 /nfs/dbraw/zinc/84/57/71/164845771.db2.gz JPSAJGNZIPQIGC-GUYCJALGSA-N 1 0 316.405 3.477 20 5 DGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000185618874 165009978 /nfs/dbraw/zinc/00/99/78/165009978.db2.gz JSJXRYSZJRVOFM-CZUORRHYSA-N 1 0 319.405 3.352 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000186356593 165039775 /nfs/dbraw/zinc/03/97/75/165039775.db2.gz NKKQIUCJLCJFLV-NVXWUHKLSA-N 1 0 322.405 3.287 20 5 DGBDRO C[N@@H+]1CC[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000228848210 165389859 /nfs/dbraw/zinc/38/98/59/165389859.db2.gz YQIJKENBPPIWKB-MRVPVSSYSA-N 1 0 304.177 3.265 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C[NH2+]1 ZINC000262139661 165790037 /nfs/dbraw/zinc/79/00/37/165790037.db2.gz ZAWWVKVBPPHJOW-STQMWFEESA-N 1 0 315.373 3.037 20 5 DGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182222915 432168331 /nfs/dbraw/zinc/16/83/31/432168331.db2.gz IHDRRZZDVGDZNZ-HIFRSBDPSA-N 1 0 323.824 3.307 20 5 DGBDRO C[N@H+](CCC1CCOCC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182229325 432168487 /nfs/dbraw/zinc/16/84/87/432168487.db2.gz AHMPCIBOISRKCA-UHFFFAOYSA-N 1 0 312.797 3.497 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000190609530 432175235 /nfs/dbraw/zinc/17/52/35/432175235.db2.gz WOPBIAYCZIXUIY-CXAGYDPISA-N 1 0 320.389 3.006 20 5 DGBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246979630 432186778 /nfs/dbraw/zinc/18/67/78/432186778.db2.gz VWFMVXIRXDYJLF-MAUKXSAKSA-N 1 0 315.417 3.044 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190902674 432198426 /nfs/dbraw/zinc/19/84/26/432198426.db2.gz HXDOQSASHOBQGG-ZDUSSCGKSA-N 1 0 309.797 3.313 20 5 DGBDRO C[C@@H](c1cccs1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269671943 432195684 /nfs/dbraw/zinc/19/56/84/432195684.db2.gz OBZHBJJQJCDITN-SMDDNHRTSA-N 1 0 306.387 3.383 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000269705727 432201374 /nfs/dbraw/zinc/20/13/74/432201374.db2.gz NKEJBVBNCGTYKV-HWPZZCPQSA-N 1 0 322.311 3.257 20 5 DGBDRO CCC[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000131295920 196158315 /nfs/dbraw/zinc/15/83/15/196158315.db2.gz AHFXEYBQUSYSIY-UHFFFAOYSA-N 1 0 322.283 3.044 20 5 DGBDRO C[C@H]([NH2+]CCOc1ncccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000151046245 432213943 /nfs/dbraw/zinc/21/39/43/432213943.db2.gz FUWUAJJGJXUHEG-NSHDSACASA-N 1 0 321.764 3.373 20 5 DGBDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000151153899 432224690 /nfs/dbraw/zinc/22/46/90/432224690.db2.gz ZZWMIOIIZUFYNH-NSHDSACASA-N 1 0 302.378 3.104 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000269982440 432225945 /nfs/dbraw/zinc/22/59/45/432225945.db2.gz CYKPISNRQJOPEU-NXNVCVFFSA-N 1 0 318.417 3.321 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000132138162 196229367 /nfs/dbraw/zinc/22/93/67/196229367.db2.gz GOYHNVGRAGXONC-MSOLQXFVSA-N 1 0 314.385 3.239 20 5 DGBDRO CC(C)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)C ZINC000134453521 196392572 /nfs/dbraw/zinc/39/25/72/196392572.db2.gz ACCBBTIOPDGCAS-UHFFFAOYSA-N 1 0 321.421 3.198 20 5 DGBDRO Cc1c([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000295853837 225312704 /nfs/dbraw/zinc/31/27/04/225312704.db2.gz FCCIRBOHCMJPCK-AVOUXACISA-N 1 0 303.406 3.179 20 5 DGBDRO C[C@H](NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000151461116 227061838 /nfs/dbraw/zinc/06/18/38/227061838.db2.gz GGKIJLDGYBPTFR-MAZHCROVSA-N 1 0 319.405 3.070 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000130616438 292637442 /nfs/dbraw/zinc/63/74/42/292637442.db2.gz XIKYGXQPTYGROL-CQSZACIVSA-N 1 0 324.384 3.444 20 5 DGBDRO C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301931390 229990025 /nfs/dbraw/zinc/99/00/25/229990025.db2.gz OSIYQLNKMUIBND-UHFFFAOYSA-N 1 0 309.385 3.292 20 5 DGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413055810 230121787 /nfs/dbraw/zinc/12/17/87/230121787.db2.gz BPNQCBFJMYQPHZ-STQMWFEESA-N 1 0 324.400 3.299 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2c1 ZINC000413067689 230125024 /nfs/dbraw/zinc/12/50/24/230125024.db2.gz WWSMSLOFSCXFMB-JKSUJKDBSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1cc(NCC[C@@H](O)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302173870 230140213 /nfs/dbraw/zinc/14/02/13/230140213.db2.gz MOTBOGCQWVESDO-MRXNPFEDSA-N 1 0 303.362 3.270 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CCOCC(F)F)cc1[N+](=O)[O-] ZINC000190896106 263744972 /nfs/dbraw/zinc/74/49/72/263744972.db2.gz COFGFYLONVVWFB-UHFFFAOYSA-N 1 0 302.321 3.090 20 5 DGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000191581808 263757498 /nfs/dbraw/zinc/75/74/98/263757498.db2.gz VOYFMLDOLFAROJ-YOEHRIQHSA-N 1 0 314.385 3.157 20 5 DGBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000346416023 264028843 /nfs/dbraw/zinc/02/88/43/264028843.db2.gz RCENHJRSVVISBG-UHFFFAOYSA-N 1 0 320.780 3.187 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000346785448 264096698 /nfs/dbraw/zinc/09/66/98/264096698.db2.gz CMJKFZSTSYWRKQ-YDHLFZDLSA-N 1 0 321.421 3.127 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)[NH2+]1 ZINC000347063175 264150065 /nfs/dbraw/zinc/15/00/65/264150065.db2.gz IWDCDYQNPAYMMF-BETUJISGSA-N 1 0 315.373 3.037 20 5 DGBDRO CC(C)c1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000347099031 264156540 /nfs/dbraw/zinc/15/65/40/264156540.db2.gz JCUIWXZJCLAWRL-HNNXBMFYSA-N 1 0 303.406 3.045 20 5 DGBDRO CC[C@H](CO)[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000347356862 264205175 /nfs/dbraw/zinc/20/51/75/264205175.db2.gz XNXJVVNVKBURBL-QGZVFWFLSA-N 1 0 314.385 3.368 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347637834 264256536 /nfs/dbraw/zinc/25/65/36/264256536.db2.gz IOGOOSPSJVPTIP-NEPJUHHUSA-N 1 0 301.346 3.410 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCCC4(CCC4)C3)nc2c1 ZINC000348175137 264357278 /nfs/dbraw/zinc/35/72/78/264357278.db2.gz DMPJZTYCHAZYQB-UHFFFAOYSA-N 1 0 300.362 3.237 20 5 DGBDRO CCCN(CCC[NH+](C)C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352359347 265014318 /nfs/dbraw/zinc/01/43/18/265014318.db2.gz GJVQLOJSIXWWHO-UHFFFAOYSA-N 1 0 316.405 3.311 20 5 DGBDRO CN(CC1([NH+](C)C)CCC1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352359882 265016316 /nfs/dbraw/zinc/01/63/16/265016316.db2.gz KJRIKDXJZZTTSY-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO CC(C)c1ccc(CN2CCO[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000352388665 265027796 /nfs/dbraw/zinc/02/77/96/265027796.db2.gz TYBNKDQTDCMPPV-DOTOQJQBSA-N 1 0 304.390 3.472 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352405387 265035542 /nfs/dbraw/zinc/03/55/42/265035542.db2.gz ACDDUELSRWRXCP-GFCCVEGCSA-N 1 0 322.409 3.145 20 5 DGBDRO Cc1nc2ccccn2c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352563721 265090658 /nfs/dbraw/zinc/09/06/58/265090658.db2.gz SOMWRUPAKBKZDE-UHFFFAOYSA-N 1 0 324.384 3.225 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352570800 265092606 /nfs/dbraw/zinc/09/26/06/265092606.db2.gz MNICXBAMLNLBGA-UHFFFAOYSA-N 1 0 314.341 3.356 20 5 DGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc([N+](=O)[O-])cc1F ZINC000352609983 265104034 /nfs/dbraw/zinc/10/40/34/265104034.db2.gz XZTNJZNDIKZOCD-CQSZACIVSA-N 1 0 309.385 3.040 20 5 DGBDRO COc1cc(C[N@H+](Cc2cccnc2)C(C)C)ccc1[N+](=O)[O-] ZINC000352780226 265162565 /nfs/dbraw/zinc/16/25/65/265162565.db2.gz SDBHPGIUHAPEOV-UHFFFAOYSA-N 1 0 315.373 3.409 20 5 DGBDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000352791297 265169237 /nfs/dbraw/zinc/16/92/37/265169237.db2.gz HPVOUPHJGDMJCD-RHSMWYFYSA-N 1 0 314.389 3.265 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353031570 265272939 /nfs/dbraw/zinc/27/29/39/265272939.db2.gz VTGVRHHFBHXRBB-QWRGUYRKSA-N 1 0 300.305 3.217 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353142988 265315901 /nfs/dbraw/zinc/31/59/01/265315901.db2.gz SANVONVGEIFPKL-SBSDFTTDSA-N 1 0 303.406 3.072 20 5 DGBDRO C[C@@H]1CC[C@H]([N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO)C1 ZINC000356359935 266365762 /nfs/dbraw/zinc/36/57/62/266365762.db2.gz HUOGQXCCFILLLD-DURLZJIISA-N 1 0 304.390 3.091 20 5 DGBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000368066015 271128731 /nfs/dbraw/zinc/12/87/31/271128731.db2.gz VYFQMCPFIZNBJI-OAHLLOKOSA-N 1 0 312.797 3.089 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000368774966 271206686 /nfs/dbraw/zinc/20/66/86/271206686.db2.gz LZEMKKROXOFLDP-SJORKVTESA-N 1 0 304.390 3.198 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302014082 273816270 /nfs/dbraw/zinc/81/62/70/273816270.db2.gz DWQXQEMQMIDFBG-VIFPVBQESA-N 1 0 318.204 3.432 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000076115296 274093687 /nfs/dbraw/zinc/09/36/87/274093687.db2.gz FKJPJDVQMIJXKW-VIFPVBQESA-N 1 0 316.304 3.189 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000437540021 274118884 /nfs/dbraw/zinc/11/88/84/274118884.db2.gz ACODTMJATZSJJW-GOEBONIOSA-N 1 0 322.430 3.463 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000433125503 274225851 /nfs/dbraw/zinc/22/58/51/274225851.db2.gz KRSPWXOKQOUQBQ-SJCJKPOMSA-N 1 0 317.433 3.390 20 5 DGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H](C)[NH+]1C ZINC000338796374 274363966 /nfs/dbraw/zinc/36/39/66/274363966.db2.gz SALJKVAWNNLOSC-NXEZZACHSA-N 1 0 317.311 3.142 20 5 DGBDRO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278399319 274386171 /nfs/dbraw/zinc/38/61/71/274386171.db2.gz FMBCYUCPFANICF-IIYDPXPESA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339123059 274421989 /nfs/dbraw/zinc/42/19/89/274421989.db2.gz FLMHKDSWGNYMGK-TVQRCGJNSA-N 1 0 318.295 3.271 20 5 DGBDRO C[C@H](Cn1cccn1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279129124 274500610 /nfs/dbraw/zinc/50/06/10/274500610.db2.gz QVTRSGJUNIHNDX-WBMJQRKESA-N 1 0 314.389 3.192 20 5 DGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H](C)[NH+]1C ZINC000338796377 274593889 /nfs/dbraw/zinc/59/38/89/274593889.db2.gz SALJKVAWNNLOSC-UWVGGRQHSA-N 1 0 317.311 3.142 20 5 DGBDRO Cc1cc(N2CCC[C@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000302495650 274705983 /nfs/dbraw/zinc/70/59/83/274705983.db2.gz JVUXHFKAYMBBRJ-INIZCTEOSA-N 1 0 303.406 3.358 20 5 DGBDRO Cc1cc(N2CC[C@](C)(C[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420236460 274712172 /nfs/dbraw/zinc/71/21/72/274712172.db2.gz FASFTBGTNPMCCI-CYBMUJFWSA-N 1 0 317.311 3.097 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-n3cccn3)cc2)cc1 ZINC000077221016 275035575 /nfs/dbraw/zinc/03/55/75/275035575.db2.gz YRFHGDNPLYNACI-UHFFFAOYSA-N 1 0 308.341 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)CCCC2 ZINC000417335113 275038207 /nfs/dbraw/zinc/03/82/07/275038207.db2.gz SGFSOXCYLZGYSQ-SRCQZFHVSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000278222869 275038464 /nfs/dbraw/zinc/03/84/64/275038464.db2.gz JFVSQYDKXNJGFC-FGTMMUONSA-N 1 0 315.417 3.189 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCO)C1CCCCC1 ZINC000155129987 275039923 /nfs/dbraw/zinc/03/99/23/275039923.db2.gz LCSUWPXRCQYPKT-SOFGYWHQSA-N 1 0 304.390 3.235 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C[NH+](C)C ZINC000489022704 429214491 /nfs/dbraw/zinc/21/44/91/429214491.db2.gz HKTPKBOHCLBWNY-CYBMUJFWSA-N 1 0 314.389 3.266 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@@H+]1C1CC1 ZINC000519613240 429471394 /nfs/dbraw/zinc/47/13/94/429471394.db2.gz NLZBYLORHNYZFG-AAEUAGOBSA-N 1 0 312.373 3.180 20 5 DGBDRO CC(C)c1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000438007612 275740562 /nfs/dbraw/zinc/74/05/62/275740562.db2.gz BOYAKNTZSGZFQX-GASCZTMLSA-N 1 0 303.406 3.045 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000279099467 275868163 /nfs/dbraw/zinc/86/81/63/275868163.db2.gz OFEHTWBWNBOGGE-WBMJQRKESA-N 1 0 304.390 3.333 20 5 DGBDRO CC[NH+](CC)C[C@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447534889 276108788 /nfs/dbraw/zinc/10/87/88/276108788.db2.gz AQWJZQDFSMKWOF-SUMWQHHRSA-N 1 0 305.422 3.292 20 5 DGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000185233156 276280695 /nfs/dbraw/zinc/28/06/95/276280695.db2.gz DSEHYHFEMPSWQD-MRXNPFEDSA-N 1 0 308.378 3.052 20 5 DGBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000451591256 276286323 /nfs/dbraw/zinc/28/63/23/276286323.db2.gz NGNKFQWIWQBOJL-YUELXQCFSA-N 1 0 320.389 3.367 20 5 DGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000338747774 277072559 /nfs/dbraw/zinc/07/25/59/277072559.db2.gz UVYPWTCSAWBPJI-OAHLLOKOSA-N 1 0 309.797 3.170 20 5 DGBDRO C[C@@H](NCCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000122142107 277619003 /nfs/dbraw/zinc/61/90/03/277619003.db2.gz DEJIKSYGZLCJAN-OAHLLOKOSA-N 1 0 305.422 3.367 20 5 DGBDRO C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000616058740 430583458 /nfs/dbraw/zinc/58/34/58/430583458.db2.gz NERYQHBKJRZLJX-LBPRGKRZSA-N 1 0 314.389 3.285 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000192640159 277899373 /nfs/dbraw/zinc/89/93/73/277899373.db2.gz DSRJMEIVNCWEEF-INIZCTEOSA-N 1 0 313.357 3.166 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344311168 278037536 /nfs/dbraw/zinc/03/75/36/278037536.db2.gz WQGDFGRDDZAURB-XJKSGUPXSA-N 1 0 305.422 3.291 20 5 DGBDRO CSC[C@@H](CCO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433274107 278134321 /nfs/dbraw/zinc/13/43/21/278134321.db2.gz MJAWZMPIRINIFI-ABAIWWIYSA-N 1 0 324.446 3.021 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N1CCC(C)CC1 ZINC000449106957 278220734 /nfs/dbraw/zinc/22/07/34/278220734.db2.gz NYIMXTILQQGFLL-CVEARBPZSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000330434451 278313272 /nfs/dbraw/zinc/31/32/72/278313272.db2.gz AJNXFIOPNFTRRG-HIFRSBDPSA-N 1 0 304.390 3.404 20 5 DGBDRO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000152808324 278348802 /nfs/dbraw/zinc/34/88/02/278348802.db2.gz QJWJZYYCXMUEKS-CYBMUJFWSA-N 1 0 314.389 3.021 20 5 DGBDRO C[C@@](O)(C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433116987 279151243 /nfs/dbraw/zinc/15/12/43/279151243.db2.gz MKRRHMVFVSCNRI-DOTOQJQBSA-N 1 0 304.390 3.068 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447602870 279349239 /nfs/dbraw/zinc/34/92/39/279349239.db2.gz VWMVUMRDVQLWAZ-MXWKQRLJSA-N 1 0 320.315 3.063 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)C1CCCCC1 ZINC000423261067 279382927 /nfs/dbraw/zinc/38/29/27/279382927.db2.gz IYEAQFZHPVOBJJ-CZUORRHYSA-N 1 0 305.422 3.023 20 5 DGBDRO C[C@H]([NH3+])[C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420232421 279421461 /nfs/dbraw/zinc/42/14/61/279421461.db2.gz LWTJFWUXCMODKQ-YUMQZZPRSA-N 1 0 304.177 3.075 20 5 DGBDRO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])cc2)[NH+](C)C)c1 ZINC000068836632 431145524 /nfs/dbraw/zinc/14/55/24/431145524.db2.gz UBWJIMWPLZHILR-KRWDZBQOSA-N 1 0 315.373 3.318 20 5 DGBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000111384759 431215253 /nfs/dbraw/zinc/21/52/53/431215253.db2.gz FTOMXLRGRJSTSH-MRXNPFEDSA-N 1 0 304.346 3.105 20 5 DGBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000449728615 279643678 /nfs/dbraw/zinc/64/36/78/279643678.db2.gz WJLNHEYUUWJMLS-UKRRQHHQSA-N 1 0 319.408 3.245 20 5 DGBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000074336982 431416218 /nfs/dbraw/zinc/41/62/18/431416218.db2.gz HUJJAAACDPOWPE-LBPRGKRZSA-N 1 0 313.357 3.404 20 5 DGBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000277872646 279918356 /nfs/dbraw/zinc/91/83/56/279918356.db2.gz NMRJFFROOABLMZ-GUYCJALGSA-N 1 0 323.392 3.461 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c2c(c1)COCO2 ZINC000075769325 431495528 /nfs/dbraw/zinc/49/55/28/431495528.db2.gz HEJJDICQZTZMRQ-WBMJQRKESA-N 1 0 318.373 3.226 20 5 DGBDRO CC1(C)CC(Nc2nc3sccn3c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000022420183 431631566 /nfs/dbraw/zinc/63/15/66/431631566.db2.gz BQQHKHFXSUMCNL-UHFFFAOYSA-N 1 0 323.422 3.025 20 5 DGBDRO CCCC[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000027273560 431686663 /nfs/dbraw/zinc/68/66/63/431686663.db2.gz SSGPMUUMYFBTGW-UHFFFAOYSA-N 1 0 323.393 3.054 20 5 DGBDRO Cc1cc(N2CCCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181501130 280550254 /nfs/dbraw/zinc/55/02/54/280550254.db2.gz WZVYUIUJGOKMPR-LBPRGKRZSA-N 1 0 301.346 3.067 20 5 DGBDRO CC(C)c1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422732187 280592029 /nfs/dbraw/zinc/59/20/29/280592029.db2.gz NIDZCTYJNMOMPE-IUODEOHRSA-N 1 0 319.405 3.060 20 5 DGBDRO CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000030144626 431732808 /nfs/dbraw/zinc/73/28/08/431732808.db2.gz JTYJJAQIBRZIPK-ZDUSSCGKSA-N 1 0 305.378 3.045 20 5 DGBDRO COc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1OC ZINC000079723753 431742239 /nfs/dbraw/zinc/74/22/39/431742239.db2.gz JKZKSIXZNGXMNV-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO Cc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420283768 280626691 /nfs/dbraw/zinc/62/66/91/280626691.db2.gz OBBVBPIQACSFMT-CHWSQXEVSA-N 1 0 314.389 3.381 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC2(CCC2)C1 ZINC000122871202 431846918 /nfs/dbraw/zinc/84/69/18/431846918.db2.gz LUMBDIMRXFFQEC-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000123087968 431854993 /nfs/dbraw/zinc/85/49/93/431854993.db2.gz JJZQVRKIWHIIIH-QWRGUYRKSA-N 1 0 302.334 3.018 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123571497 431867813 /nfs/dbraw/zinc/86/78/13/431867813.db2.gz MOTZZISHXXDHPU-CVEARBPZSA-N 1 0 322.430 3.081 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000122606710 431839380 /nfs/dbraw/zinc/83/93/80/431839380.db2.gz KNWATDMQGDDCBK-NEPJUHHUSA-N 1 0 316.361 3.123 20 5 DGBDRO CC[NH+]1CCC(N(C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000125210638 431917810 /nfs/dbraw/zinc/91/78/10/431917810.db2.gz OUXJGVJDCPRVAB-SOFGYWHQSA-N 1 0 303.406 3.024 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125228291 431918070 /nfs/dbraw/zinc/91/80/70/431918070.db2.gz VREGSINDIHMTIR-KGLIPLIRSA-N 1 0 319.405 3.068 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125435344 431924846 /nfs/dbraw/zinc/92/48/46/431924846.db2.gz KHECEBJEZMJKBB-HNNXBMFYSA-N 1 0 313.357 3.206 20 5 DGBDRO CCCC[NH+](CCCC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000044744281 431876855 /nfs/dbraw/zinc/87/68/55/431876855.db2.gz CFSTWQDFDDTIFX-UHFFFAOYSA-N 1 0 307.394 3.096 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000091891416 431905904 /nfs/dbraw/zinc/90/59/04/431905904.db2.gz IINMAIDMLGDHII-UHFFFAOYSA-N 1 0 300.333 3.335 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](Cc1ccncc1)C1CC1 ZINC000124857687 431907018 /nfs/dbraw/zinc/90/70/18/431907018.db2.gz APGNNBKONOAYSA-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000049558709 431941442 /nfs/dbraw/zinc/94/14/42/431941442.db2.gz PSFRAFLFYCXYBQ-VIFPVBQESA-N 1 0 316.199 3.109 20 5 DGBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ncccc1[N+](=O)[O-] ZINC000052243833 431955601 /nfs/dbraw/zinc/95/56/01/431955601.db2.gz ZRZXJFHWIZRYCA-UHFFFAOYSA-N 1 0 314.389 3.442 20 5 DGBDRO CC[NH+](CC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000053782040 431966388 /nfs/dbraw/zinc/96/63/88/431966388.db2.gz POQQEVCKZLRCHG-UHFFFAOYSA-N 1 0 304.293 3.047 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000448066076 281014084 /nfs/dbraw/zinc/01/40/84/281014084.db2.gz CEWNTKRVVYPYNV-ZBFHGGJFSA-N 1 0 315.417 3.356 20 5 DGBDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000191505236 432270506 /nfs/dbraw/zinc/27/05/06/432270506.db2.gz RMWYQKZWNZYNMA-UHFFFAOYSA-N 1 0 316.405 3.266 20 5 DGBDRO C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000173311464 432272119 /nfs/dbraw/zinc/27/21/19/432272119.db2.gz VDBIGXFOPBZVIH-CYBMUJFWSA-N 1 0 310.357 3.136 20 5 DGBDRO C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000151836801 432280822 /nfs/dbraw/zinc/28/08/22/432280822.db2.gz RJWFEPFPUAWXNV-JTQLQIEISA-N 1 0 306.284 3.214 20 5 DGBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCCC1 ZINC000173533347 432285913 /nfs/dbraw/zinc/28/59/13/432285913.db2.gz IQJZKAQEYXPCLV-UHFFFAOYSA-N 1 0 308.378 3.247 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000248552739 432299238 /nfs/dbraw/zinc/29/92/38/432299238.db2.gz JFCOXBLRWACAEB-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000152068694 432300517 /nfs/dbraw/zinc/30/05/17/432300517.db2.gz COFMTROVUYYMOG-GFCCVEGCSA-N 1 0 314.341 3.483 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000152068427 432301207 /nfs/dbraw/zinc/30/12/07/432301207.db2.gz BGUFLYDYDPTIBW-GFCCVEGCSA-N 1 0 314.341 3.483 20 5 DGBDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)N1CCCC1 ZINC000151677791 432266226 /nfs/dbraw/zinc/26/62/26/432266226.db2.gz OCSVVHXOPSKDBI-HOCLYGCPSA-N 1 0 305.422 3.428 20 5 DGBDRO CC(C)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271038585 432320712 /nfs/dbraw/zinc/32/07/12/432320712.db2.gz HCPXZLNOTWOLFB-UHFFFAOYSA-N 1 0 302.378 3.083 20 5 DGBDRO CC(C)[NH+]1CCC(N(C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271046537 432320861 /nfs/dbraw/zinc/32/08/61/432320861.db2.gz REOVHMJYLIRRGC-SOFGYWHQSA-N 1 0 317.433 3.413 20 5 DGBDRO Cc1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000152346384 432325110 /nfs/dbraw/zinc/32/51/10/432325110.db2.gz ZRDXYCTZXCQRBK-NSHDSACASA-N 1 0 314.345 3.489 20 5 DGBDRO COc1cc(NC2CC[NH+](CC3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271110739 432330280 /nfs/dbraw/zinc/33/02/80/432330280.db2.gz UBXMJJCLBRKWBJ-UHFFFAOYSA-N 1 0 323.368 3.029 20 5 DGBDRO C[C@H](C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183934352 432335902 /nfs/dbraw/zinc/33/59/02/432335902.db2.gz PYTUVVMNDDODQJ-GFCCVEGCSA-N 1 0 321.402 3.166 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000271148384 432337579 /nfs/dbraw/zinc/33/75/79/432337579.db2.gz PYCIFPWGCUPNHZ-KGLIPLIRSA-N 1 0 324.421 3.443 20 5 DGBDRO CCN(Cc1ccncc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000270966691 432308868 /nfs/dbraw/zinc/30/88/68/432308868.db2.gz BMTIMRBEOAWLRQ-UHFFFAOYSA-N 1 0 301.346 3.021 20 5 DGBDRO CC[N@H+](CCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271214294 432354710 /nfs/dbraw/zinc/35/47/10/432354710.db2.gz VWQDOZDYBKBCJU-UHFFFAOYSA-N 1 0 304.346 3.059 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192455219 432376894 /nfs/dbraw/zinc/37/68/94/432376894.db2.gz JWOGBERNRVEMKN-STQMWFEESA-N 1 0 324.450 3.142 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2nccs2)cc1[N+](=O)[O-] ZINC000153412300 432407295 /nfs/dbraw/zinc/40/72/95/432407295.db2.gz XYIYSTFSSLTOTL-NSHDSACASA-N 1 0 321.402 3.343 20 5 DGBDRO C[C@H](CO)CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271408288 432388773 /nfs/dbraw/zinc/38/87/73/432388773.db2.gz AJBSTCYZRFWEJI-UXLLHSPISA-N 1 0 320.433 3.304 20 5 DGBDRO CC(C)(C)OC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153315795 432399254 /nfs/dbraw/zinc/39/92/54/432399254.db2.gz BQMXQQJMKLKABW-UHFFFAOYSA-N 1 0 320.389 3.291 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000271469493 432401744 /nfs/dbraw/zinc/40/17/44/432401744.db2.gz FYCKZVSMUHWYDQ-DGCLKSJQSA-N 1 0 316.361 3.408 20 5 DGBDRO CCC[C@H](CCO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192915663 432429081 /nfs/dbraw/zinc/42/90/81/432429081.db2.gz FIUWJYVLXKQJTD-DYVFJYSZSA-N 1 0 306.406 3.361 20 5 DGBDRO CC(C)[NH+]1CCC(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192971382 432435620 /nfs/dbraw/zinc/43/56/20/432435620.db2.gz YMFWXACQYJPCFE-GOSISDBHSA-N 1 0 317.433 3.435 20 5 DGBDRO CC(C)(c1nc(C2([NH3+])CCCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000261846019 432455346 /nfs/dbraw/zinc/45/53/46/432455346.db2.gz SJBDJSNTZBACPK-UHFFFAOYSA-N 1 0 316.361 3.032 20 5 DGBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153945423 432457953 /nfs/dbraw/zinc/45/79/53/432457953.db2.gz SOUSYTBQIWGLGS-LLVKDONJSA-N 1 0 312.801 3.033 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000192800578 432416842 /nfs/dbraw/zinc/41/68/42/432416842.db2.gz MGMUYOZJFUXUPY-SWLSCSKDSA-N 1 0 319.405 3.400 20 5 DGBDRO C[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000192803626 432417172 /nfs/dbraw/zinc/41/71/72/432417172.db2.gz CJVWTLOVJVNMDB-MCIONIFRSA-N 1 0 319.405 3.338 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](C)[C@@H](CO)SC)c1cccc([N+](=O)[O-])c1 ZINC000154282275 432488188 /nfs/dbraw/zinc/48/81/88/432488188.db2.gz UQUQPBLCOSZSOI-KCPJHIHWSA-N 1 0 312.435 3.138 20 5 DGBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCCCC1 ZINC000262559837 432491842 /nfs/dbraw/zinc/49/18/42/432491842.db2.gz VALVRNDSJIKXCT-UHFFFAOYSA-N 1 0 300.362 3.217 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000193920537 432509798 /nfs/dbraw/zinc/50/97/98/432509798.db2.gz LSVOQZOZIPSVBN-CJNGLKHVSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000261949565 432464101 /nfs/dbraw/zinc/46/41/01/432464101.db2.gz MTAFRSBSNDNBTA-ZJUUUORDSA-N 1 0 317.311 3.414 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000194415472 432549104 /nfs/dbraw/zinc/54/91/04/432549104.db2.gz PVVYDFZOHBQHRX-LBPRGKRZSA-N 1 0 315.329 3.396 20 5 DGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1OCCc2ccccc21 ZINC000263748944 432572008 /nfs/dbraw/zinc/57/20/08/432572008.db2.gz SDOQTQKTVGAYCW-GOSISDBHSA-N 1 0 312.369 3.341 20 5 DGBDRO C[N@H+](CCC1CCOCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000177026582 432575301 /nfs/dbraw/zinc/57/53/01/432575301.db2.gz HXNRNDUSKGUVIE-UHFFFAOYSA-N 1 0 312.797 3.497 20 5 DGBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000441660338 282038088 /nfs/dbraw/zinc/03/80/88/282038088.db2.gz IFXGVWUCFDKYMQ-OAHLLOKOSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177849694 432668175 /nfs/dbraw/zinc/66/81/75/432668175.db2.gz DXUCEQHZDPFXNO-LBPRGKRZSA-N 1 0 307.394 3.210 20 5 DGBDRO CC[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178200766 432706076 /nfs/dbraw/zinc/70/60/76/432706076.db2.gz DYFOMVDEACVRDC-INIZCTEOSA-N 1 0 319.405 3.038 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCSC2(CCOCC2)C1 ZINC000274482190 432674991 /nfs/dbraw/zinc/67/49/91/432674991.db2.gz FOFMWTYSLLFTTI-ZDUSSCGKSA-N 1 0 322.430 3.254 20 5 DGBDRO Cc1ccnc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000265290363 432685270 /nfs/dbraw/zinc/68/52/70/432685270.db2.gz XWMOWIQCHPYLAN-ZDUSSCGKSA-N 1 0 316.361 3.140 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000178066948 432690485 /nfs/dbraw/zinc/69/04/85/432690485.db2.gz GXKKBCPCLNANBN-DZGCQCFKSA-N 1 0 305.422 3.286 20 5 DGBDRO Cc1c([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000161073309 432757522 /nfs/dbraw/zinc/75/75/22/432757522.db2.gz LPNLLLOYIKHTRS-KKUMJFAQSA-N 1 0 305.422 3.427 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000266546232 432763694 /nfs/dbraw/zinc/76/36/94/432763694.db2.gz RRUQLXDRDAJPTG-CYBMUJFWSA-N 1 0 314.389 3.269 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C)cc1[N+](=O)[O-] ZINC000178686685 432766868 /nfs/dbraw/zinc/76/68/68/432766868.db2.gz VSMIHZRDMBAEFR-UONOGXRCSA-N 1 0 321.421 3.105 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(n2ccnc2)CC1 ZINC000266746952 432782728 /nfs/dbraw/zinc/78/27/28/432782728.db2.gz OWZBIJJAQZDUOK-ZDUSSCGKSA-N 1 0 300.362 3.189 20 5 DGBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189351359 432781281 /nfs/dbraw/zinc/78/12/81/432781281.db2.gz BHDMJTMMWGTACL-JKSUJKDBSA-N 1 0 316.357 3.104 20 5 DGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCC1 ZINC000275477845 432727369 /nfs/dbraw/zinc/72/73/69/432727369.db2.gz OZDVZWUOUSMSPI-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO COC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000162223639 432816821 /nfs/dbraw/zinc/81/68/21/432816821.db2.gz XIXNAPFULWOSGO-HOCLYGCPSA-N 1 0 318.417 3.465 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245521005 432839274 /nfs/dbraw/zinc/83/92/74/432839274.db2.gz KFIOFFRPTWZVAM-GRDNDAEWSA-N 1 0 306.406 3.447 20 5 DGBDRO C[C@@H]1CCC[C@](CNCc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000237368460 432785208 /nfs/dbraw/zinc/78/52/08/432785208.db2.gz LAMVMTIISNEPBM-PBHICJAKSA-N 1 0 305.422 3.195 20 5 DGBDRO Cc1nc(NCc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000276303598 432795358 /nfs/dbraw/zinc/79/53/58/432795358.db2.gz LZHDIWJPXQPLSS-UHFFFAOYSA-N 1 0 314.389 3.014 20 5 DGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000276388901 432803839 /nfs/dbraw/zinc/80/38/39/432803839.db2.gz FFJSYAQQWSXNGU-UHFFFAOYSA-N 1 0 321.421 3.097 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161936392 432803889 /nfs/dbraw/zinc/80/38/89/432803889.db2.gz IWIQNBZDOPKMQH-ZBFHGGJFSA-N 1 0 315.417 3.356 20 5 DGBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000189665998 432809391 /nfs/dbraw/zinc/80/93/91/432809391.db2.gz IGPFRJUBZQSCNA-QGZVFWFLSA-N 1 0 322.405 3.119 20 5 DGBDRO CCC(C)(C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000277594828 432863421 /nfs/dbraw/zinc/86/34/21/432863421.db2.gz KRIGUZYQPKPNNB-HNNXBMFYSA-N 1 0 316.405 3.444 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000245924230 432869754 /nfs/dbraw/zinc/86/97/54/432869754.db2.gz OIOBQHAEDUTMBB-JSGCOSHPSA-N 1 0 319.405 3.210 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000245941780 432871124 /nfs/dbraw/zinc/87/11/24/432871124.db2.gz RBJXYNHUSOMHDS-VXGBXAGGSA-N 1 0 316.361 3.123 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000245551300 432843426 /nfs/dbraw/zinc/84/34/26/432843426.db2.gz BAZLGCPLFXBVMB-TZMCWYRMSA-N 1 0 320.389 3.377 20 5 DGBDRO CC[C@H](C)c1nnc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000277431700 432849285 /nfs/dbraw/zinc/84/92/85/432849285.db2.gz NNSUYIXQCFGULV-WDEREUQCSA-N 1 0 303.366 3.077 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000163293316 432849266 /nfs/dbraw/zinc/84/92/66/432849266.db2.gz PCWPVSVHNTWNOA-CQSZACIVSA-N 1 0 308.378 3.039 20 5 DGBDRO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000245712073 432857367 /nfs/dbraw/zinc/85/73/67/432857367.db2.gz GFBNFFRROAJBOA-DZGCQCFKSA-N 1 0 306.406 3.454 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCCCCCO)c2cc([N+](=O)[O-])ccc21 ZINC000278969747 432923328 /nfs/dbraw/zinc/92/33/28/432923328.db2.gz BZKRDIHXCNDEJN-MRXNPFEDSA-N 1 0 306.406 3.460 20 5 DGBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000296846171 432931034 /nfs/dbraw/zinc/93/10/34/432931034.db2.gz OLFMVOUPPLOZGT-PRHODGIISA-N 1 0 320.336 3.455 20 5 DGBDRO C[C@H](O)CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000279090039 432934353 /nfs/dbraw/zinc/93/43/53/432934353.db2.gz NIOYUGYVORLMIA-DZKIICNBSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331275943 432938226 /nfs/dbraw/zinc/93/82/26/432938226.db2.gz FKPSNMIRQFIFKV-SUNKGSAMSA-N 1 0 312.797 3.230 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000296542760 432919989 /nfs/dbraw/zinc/91/99/89/432919989.db2.gz FKAOYQOMMZNIAR-ZBEGNZNMSA-N 1 0 304.321 3.118 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332037797 432966852 /nfs/dbraw/zinc/96/68/52/432966852.db2.gz XHIDZMGARXBPBR-PBFPGSCMSA-N 1 0 317.433 3.390 20 5 DGBDRO Cc1nccn1CCCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000297174335 432968057 /nfs/dbraw/zinc/96/80/57/432968057.db2.gz PRIGFAQDAVDRPH-UHFFFAOYSA-N 1 0 311.345 3.150 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341132994 432971799 /nfs/dbraw/zinc/97/17/99/432971799.db2.gz WLVNZCNHJVKPSF-SNVBAGLBSA-N 1 0 323.422 3.132 20 5 DGBDRO COc1ccc(CN2CCC(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000289375845 432951675 /nfs/dbraw/zinc/95/16/75/432951675.db2.gz BTJSTVVRUPVTEM-JTQLQIEISA-N 1 0 300.305 3.081 20 5 DGBDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000289410804 432956160 /nfs/dbraw/zinc/95/61/60/432956160.db2.gz HWFYYYUKFYYURF-UHFFFAOYSA-N 1 0 317.389 3.060 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccnn2C)CC1 ZINC000332434784 433006258 /nfs/dbraw/zinc/00/62/58/433006258.db2.gz GGBJFIXJZZRWIK-CYBMUJFWSA-N 1 0 314.389 3.269 20 5 DGBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000349783233 433008028 /nfs/dbraw/zinc/00/80/28/433008028.db2.gz AJULXVPCKMMHEQ-SFAKSCPVSA-N 1 0 316.357 3.272 20 5 DGBDRO CCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000297954312 433035906 /nfs/dbraw/zinc/03/59/06/433035906.db2.gz TVRXMFJUGLSLQT-LBPRGKRZSA-N 1 0 323.393 3.052 20 5 DGBDRO CC(=O)c1cc(NCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000341356776 433037232 /nfs/dbraw/zinc/03/72/32/433037232.db2.gz YCDASMFNBVFITD-CYBMUJFWSA-N 1 0 319.405 3.474 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN[C@H]1CCOc2c(F)ccc(F)c21 ZINC000361249854 433056434 /nfs/dbraw/zinc/05/64/34/433056434.db2.gz HJPVIXFYJNZSIS-ZDUSSCGKSA-N 1 0 320.295 3.486 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]3c3ccncc3)nc2c1 ZINC000361262111 433065931 /nfs/dbraw/zinc/06/59/31/433065931.db2.gz RDFRCPGUFRCTRL-INIZCTEOSA-N 1 0 323.356 3.203 20 5 DGBDRO Cc1cc(N2CCC[C@](C)(O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280512465 433065011 /nfs/dbraw/zinc/06/50/11/433065011.db2.gz QDCJMZMYFPHZKR-KRWDZBQOSA-N 1 0 315.373 3.193 20 5 DGBDRO C[NH+](C)CCc1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000341478887 433083904 /nfs/dbraw/zinc/08/39/04/433083904.db2.gz ITLHHAMNYQRVKA-UHFFFAOYSA-N 1 0 317.364 3.450 20 5 DGBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000280579833 433093022 /nfs/dbraw/zinc/09/30/22/433093022.db2.gz WOWIBDCKYGTZMQ-AFDQWNBZSA-N 1 0 304.390 3.233 20 5 DGBDRO Cc1cc(NC[C@@H]([NH3+])C2CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420216756 433126529 /nfs/dbraw/zinc/12/65/29/433126529.db2.gz GIHIFUHRQZVJAT-SNVBAGLBSA-N 1 0 303.284 3.071 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CC2CC2)CC2CCC2)c1 ZINC000280684960 433135426 /nfs/dbraw/zinc/13/54/26/433135426.db2.gz HCGWVTVSOZJFIW-KRWDZBQOSA-N 1 0 304.390 3.140 20 5 DGBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000420282994 433143742 /nfs/dbraw/zinc/14/37/42/433143742.db2.gz NOHVWOSHUPFSOK-XRMLZUONSA-N 1 0 312.373 3.071 20 5 DGBDRO Cc1c([C@@H](C)NCC[N@@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000453388786 433146413 /nfs/dbraw/zinc/14/64/13/433146413.db2.gz FYGPQQYULNAYIO-CQSZACIVSA-N 1 0 305.422 3.428 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC[C@@H]1CCOC1)CCC2 ZINC000453350355 433111984 /nfs/dbraw/zinc/11/19/84/433111984.db2.gz GWIXJOWFTDZTQR-CXAGYDPISA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446843653 433113001 /nfs/dbraw/zinc/11/30/01/433113001.db2.gz OMECUXGYIHFKPM-VXGBXAGGSA-N 1 0 302.378 3.387 20 5 DGBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420182617 433119118 /nfs/dbraw/zinc/11/91/18/433119118.db2.gz GJVNCPWYQMQOTO-DTWKUNHWSA-N 1 0 318.204 3.465 20 5 DGBDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446848513 433120495 /nfs/dbraw/zinc/12/04/95/433120495.db2.gz ICKPYQAFALWZST-IINYFYTJSA-N 1 0 302.378 3.385 20 5 DGBDRO CCCCOCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447518708 433209029 /nfs/dbraw/zinc/20/90/29/433209029.db2.gz WPJWUJURCQQYBO-CABCVRRESA-N 1 0 324.425 3.071 20 5 DGBDRO CCCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000298493377 433155752 /nfs/dbraw/zinc/15/57/52/433155752.db2.gz NDJDIYLHLCTQIK-UHFFFAOYSA-N 1 0 316.361 3.409 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000453414161 433167379 /nfs/dbraw/zinc/16/73/79/433167379.db2.gz SRPKPNIXXWONSP-SGMGOOAPSA-N 1 0 308.378 3.212 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000453414156 433168537 /nfs/dbraw/zinc/16/85/37/433168537.db2.gz SRPKPNIXXWONSP-DYEKYZERSA-N 1 0 308.378 3.212 20 5 DGBDRO CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])COC1 ZINC000290818366 433178287 /nfs/dbraw/zinc/17/82/87/433178287.db2.gz GSBNNAPGGLPSBE-UHFFFAOYSA-N 1 0 305.161 3.028 20 5 DGBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000336719409 433189314 /nfs/dbraw/zinc/18/93/14/433189314.db2.gz SDUDYZMHQXEYCZ-CZUORRHYSA-N 1 0 312.373 3.065 20 5 DGBDRO C[C@H](CO)[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CCC1 ZINC000361498559 433211866 /nfs/dbraw/zinc/21/18/66/433211866.db2.gz USZOWGGSEDRJTG-LLVKDONJSA-N 1 0 312.797 3.231 20 5 DGBDRO COCCOCCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447533412 433219420 /nfs/dbraw/zinc/21/94/20/433219420.db2.gz RJEWQBDHAFTMCT-KRWDZBQOSA-N 1 0 322.405 3.005 20 5 DGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447561536 433228005 /nfs/dbraw/zinc/22/80/05/433228005.db2.gz IJZBDKAUNXCDHK-DXCKQFNASA-N 1 0 306.406 3.359 20 5 DGBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000420622105 433230912 /nfs/dbraw/zinc/23/09/12/433230912.db2.gz FFZSBHJOEZNAHR-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1F ZINC000350685047 433255929 /nfs/dbraw/zinc/25/59/29/433255929.db2.gz NDKCIRMHQWMBPT-UHFFFAOYSA-N 1 0 320.368 3.089 20 5 DGBDRO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H](C)OC ZINC000361572010 433256379 /nfs/dbraw/zinc/25/63/79/433256379.db2.gz BOWMWCDXMQNEKG-LBPRGKRZSA-N 1 0 319.361 3.107 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC2CCCC2)c(Cl)c1 ZINC000337791674 433260004 /nfs/dbraw/zinc/26/00/04/433260004.db2.gz DFUNNYUMNKOASK-ZDUSSCGKSA-N 1 0 312.797 3.279 20 5 DGBDRO CC1(C)C[C@H](c2ccccc2)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000425538330 433289736 /nfs/dbraw/zinc/28/97/36/433289736.db2.gz IPBUHYJXSNTQEM-OAHLLOKOSA-N 1 0 314.389 3.265 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(C2CC2)CCOCC1 ZINC000375122208 433366113 /nfs/dbraw/zinc/36/61/13/433366113.db2.gz ABDGKBWMUWEGDG-HWKANZROSA-N 1 0 302.374 3.157 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)cs1 ZINC000291739096 433330805 /nfs/dbraw/zinc/33/08/05/433330805.db2.gz OTBVIMHFCYIMPQ-LBPRGKRZSA-N 1 0 321.377 3.164 20 5 DGBDRO C[N@H+](CCCCCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339134517 433383098 /nfs/dbraw/zinc/38/30/98/433383098.db2.gz FHCCKCITGTVKHK-UHFFFAOYSA-N 1 0 320.311 3.208 20 5 DGBDRO C[C@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000351144858 433388416 /nfs/dbraw/zinc/38/84/16/433388416.db2.gz JCELGBCHBONVPG-KXUCPTDWSA-N 1 0 306.322 3.172 20 5 DGBDRO CCC[NH+](CCC)CCCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351145679 433392118 /nfs/dbraw/zinc/39/21/18/433392118.db2.gz KBDKWJDESMELKA-UHFFFAOYSA-N 1 0 322.365 3.292 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301058597 433396660 /nfs/dbraw/zinc/39/66/60/433396660.db2.gz BCPLTHXKWWJUGL-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO COCc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000339186877 433424196 /nfs/dbraw/zinc/42/41/96/433424196.db2.gz WFJGQSYIHGZVPR-UHFFFAOYSA-N 1 0 314.385 3.416 20 5 DGBDRO CCOc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000301175092 433440121 /nfs/dbraw/zinc/44/01/21/433440121.db2.gz FUASTCDSRFWERP-UONOGXRCSA-N 1 0 305.378 3.032 20 5 DGBDRO CCOc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000301175090 433440525 /nfs/dbraw/zinc/44/05/25/433440525.db2.gz FUASTCDSRFWERP-KBPBESRZSA-N 1 0 305.378 3.032 20 5 DGBDRO CC[N@H+](CCC1CC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355062161 433444966 /nfs/dbraw/zinc/44/49/66/433444966.db2.gz PUNYFDWKWZPMRH-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000414197700 433453708 /nfs/dbraw/zinc/45/37/08/433453708.db2.gz ZAGBZRBENUQPAZ-BARDWOONSA-N 1 0 306.410 3.299 20 5 DGBDRO CCOc1cc(NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000301215722 433455678 /nfs/dbraw/zinc/45/56/78/433455678.db2.gz ZXYRGOILAISGES-UHFFFAOYSA-N 1 0 307.394 3.281 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCOC)cc1[N+](=O)[O-] ZINC000414197930 433457491 /nfs/dbraw/zinc/45/74/91/433457491.db2.gz KFVMEDVMGDMXJU-QWHCGFSZSA-N 1 0 310.394 3.317 20 5 DGBDRO CC(C)SCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000342081105 433458630 /nfs/dbraw/zinc/45/86/30/433458630.db2.gz YTUXWROSXVNWBX-UHFFFAOYSA-N 1 0 320.361 3.427 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000337558376 290010390 /nfs/dbraw/zinc/01/03/90/290010390.db2.gz SRDOYTADSYUGJH-NDMJEZRESA-N 1 0 300.305 3.406 20 5 DGBDRO O=[N+]([O-])c1cnc(NCCC[NH2+]C2CCCCC2)c(Cl)c1 ZINC000301249657 433468189 /nfs/dbraw/zinc/46/81/89/433468189.db2.gz ASXUASKDNHOOLE-UHFFFAOYSA-N 1 0 312.801 3.368 20 5 DGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302788540 290240225 /nfs/dbraw/zinc/24/02/25/290240225.db2.gz XMQGYTSXLRKYLC-AAEUAGOBSA-N 1 0 309.797 3.169 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000414318626 433538190 /nfs/dbraw/zinc/53/81/90/433538190.db2.gz YAYHZPZEBGPISG-WFASDCNBSA-N 1 0 318.348 3.161 20 5 DGBDRO COCCSCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292164535 433487669 /nfs/dbraw/zinc/48/76/69/433487669.db2.gz OWKMYLOAFCMXCT-UHFFFAOYSA-N 1 0 312.435 3.189 20 5 DGBDRO Cc1ccnc(NCCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000301308020 433502159 /nfs/dbraw/zinc/50/21/59/433502159.db2.gz WFMJUBIRWBLOPF-UHFFFAOYSA-N 1 0 306.410 3.222 20 5 DGBDRO Cc1ccnc(NC[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000301310286 433503046 /nfs/dbraw/zinc/50/30/46/433503046.db2.gz ZFAOARHURBBZCD-AWEZNQCLSA-N 1 0 300.362 3.013 20 5 DGBDRO Cc1cnc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301428451 433548983 /nfs/dbraw/zinc/54/89/83/433548983.db2.gz HVCACRVLCQHLLQ-MGPQQGTHSA-N 1 0 306.410 3.077 20 5 DGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000292308700 433549203 /nfs/dbraw/zinc/54/92/03/433549203.db2.gz DPBLPBHJBUEOHP-ZBEGNZNMSA-N 1 0 318.398 3.448 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000339398596 433559432 /nfs/dbraw/zinc/55/94/32/433559432.db2.gz VZSPGXIATLBDJF-NSHDSACASA-N 1 0 316.317 3.437 20 5 DGBDRO Cc1cnc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301453057 433561932 /nfs/dbraw/zinc/56/19/32/433561932.db2.gz QXTDLQSECJIADK-OKILXGFUSA-N 1 0 306.410 3.078 20 5 DGBDRO CCc1ncc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000414373749 433580721 /nfs/dbraw/zinc/58/07/21/433580721.db2.gz ZUCYXUYBAFIDRS-GFCCVEGCSA-N 1 0 300.362 3.106 20 5 DGBDRO CCOc1cc(NCC[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301502508 433582028 /nfs/dbraw/zinc/58/20/28/433582028.db2.gz FMVJWPZDMAFLDL-CYBMUJFWSA-N 1 0 307.394 3.137 20 5 DGBDRO O=[N+]([O-])c1ccc(NC2CCC([NH+]3CCCCC3)CC2)nc1 ZINC000301518020 433592012 /nfs/dbraw/zinc/59/20/12/433592012.db2.gz DJZFDPKRLVNDJZ-UHFFFAOYSA-N 1 0 304.394 3.199 20 5 DGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000161425863 292835117 /nfs/dbraw/zinc/83/51/17/292835117.db2.gz FCGNHLMOPUYGAS-OLZOCXBDSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000301611964 433639864 /nfs/dbraw/zinc/63/98/64/433639864.db2.gz FFAWGUWYPNFWIU-HIFRSBDPSA-N 1 0 312.373 3.065 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])ccn1 ZINC000342302245 433601693 /nfs/dbraw/zinc/60/16/93/433601693.db2.gz UBZVMUFHPBUNAG-VGVVRCBHSA-N 1 0 313.357 3.362 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000268962876 292883264 /nfs/dbraw/zinc/88/32/64/292883264.db2.gz GFRUKUOQIVZVFO-KSZJFAHPSA-N 1 0 304.390 3.367 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000268962875 292883328 /nfs/dbraw/zinc/88/33/28/292883328.db2.gz GFRUKUOQIVZVFO-DDUYRFODSA-N 1 0 304.390 3.367 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)cccc1[N+](=O)[O-] ZINC000282426074 433607523 /nfs/dbraw/zinc/60/75/23/433607523.db2.gz MBSWXTXMWGHOAJ-DOMZBBRYSA-N 1 0 314.389 3.365 20 5 DGBDRO Cc1nc(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301638597 433653578 /nfs/dbraw/zinc/65/35/78/433653578.db2.gz LPERNBKMTYMVPY-OKILXGFUSA-N 1 0 320.437 3.468 20 5 DGBDRO CC(C)[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000362382700 433669208 /nfs/dbraw/zinc/66/92/08/433669208.db2.gz AFXIOROUXOWERH-OAHLLOKOSA-N 1 0 310.419 3.047 20 5 DGBDRO COCc1ccccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293255360 433673835 /nfs/dbraw/zinc/67/38/35/433673835.db2.gz BTTJJKKTYDXTJL-GFCCVEGCSA-N 1 0 315.373 3.174 20 5 DGBDRO CC(C)[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000362384911 433678388 /nfs/dbraw/zinc/67/83/88/433678388.db2.gz OCPUEZQBJACQQQ-OAHLLOKOSA-N 1 0 310.419 3.047 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000414485408 433649495 /nfs/dbraw/zinc/64/94/95/433649495.db2.gz LHERCCXUAIXWMI-ULXYLZTKSA-N 1 0 324.380 3.416 20 5 DGBDRO CC[C@H]([NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414526697 433693340 /nfs/dbraw/zinc/69/33/40/433693340.db2.gz LRWDYELZWXLSSL-RKXUAZDKSA-N 1 0 306.406 3.383 20 5 DGBDRO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301727447 433694438 /nfs/dbraw/zinc/69/44/38/433694438.db2.gz VTWOEKOTEGAMSA-GXTWGEPZSA-N 1 0 323.824 3.477 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000367479940 293078363 /nfs/dbraw/zinc/07/83/63/293078363.db2.gz ZUWGEMIDVVPJAI-UHFFFAOYSA-N 1 0 311.385 3.445 20 5 DGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301744516 433702499 /nfs/dbraw/zinc/70/24/99/433702499.db2.gz ZXXCXQSEVJHVTB-SMDDNHRTSA-N 1 0 309.797 3.169 20 5 DGBDRO Cc1ccc([C@H]2CCCCCN2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370044993 293151854 /nfs/dbraw/zinc/15/18/54/293151854.db2.gz JIXLPSLYVJHTOC-CYBMUJFWSA-N 1 0 318.377 3.347 20 5 DGBDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000283248466 433699065 /nfs/dbraw/zinc/69/90/65/433699065.db2.gz JRWMPNLJHRAKTM-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000370375964 293171685 /nfs/dbraw/zinc/17/16/85/293171685.db2.gz WBVGJJDYEMTBCJ-HNNXBMFYSA-N 1 0 314.389 3.016 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000373784054 293316158 /nfs/dbraw/zinc/31/61/58/293316158.db2.gz WFIJXBKTDYRSNC-CYBMUJFWSA-N 1 0 302.330 3.186 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)ccc1Cl ZINC000374369190 293390471 /nfs/dbraw/zinc/39/04/71/293390471.db2.gz UWNYNGAXDBJEEU-AWEZNQCLSA-N 1 0 324.808 3.497 20 5 DGBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000283376478 433713691 /nfs/dbraw/zinc/71/36/91/433713691.db2.gz SORDXVIWNVECEB-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449175690 433727883 /nfs/dbraw/zinc/72/78/83/433727883.db2.gz RDXLHQAEUPCBRY-OCCSQVGLSA-N 1 0 320.414 3.219 20 5 DGBDRO CCC(CC)(CCO)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449176888 433729955 /nfs/dbraw/zinc/72/99/55/433729955.db2.gz RBOQZHRGRDTVOT-CQSZACIVSA-N 1 0 308.422 3.304 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339685304 433730336 /nfs/dbraw/zinc/73/03/36/433730336.db2.gz YEKXQUGIJXALOM-GXTWGEPZSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449092106 433724149 /nfs/dbraw/zinc/72/41/49/433724149.db2.gz LHRHKMZQOYWXDI-OWCLPIDISA-N 1 0 319.449 3.236 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1C ZINC000432345025 433822997 /nfs/dbraw/zinc/82/29/97/433822997.db2.gz FQOIVLLYQICHPT-CHWSQXEVSA-N 1 0 314.389 3.062 20 5 DGBDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000449783828 433795465 /nfs/dbraw/zinc/79/54/65/433795465.db2.gz SABGPFNMUUKTOF-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO COCCC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCCC1 ZINC000283912771 433796311 /nfs/dbraw/zinc/79/63/11/433796311.db2.gz DIKVILCGCXLNQU-CYBMUJFWSA-N 1 0 321.421 3.425 20 5 DGBDRO CC(=O)c1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000283954050 433806235 /nfs/dbraw/zinc/80/62/35/433806235.db2.gz YNHXFBKBSBWDIG-TZMCWYRMSA-N 1 0 305.378 3.082 20 5 DGBDRO Cc1ccc([C@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000283958457 433806482 /nfs/dbraw/zinc/80/64/82/433806482.db2.gz YSFWKZKZHKYJMB-KRWDZBQOSA-N 1 0 314.389 3.200 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000301984802 433809618 /nfs/dbraw/zinc/80/96/18/433809618.db2.gz CGZMHGVPYLYQTD-CQSZACIVSA-N 1 0 314.389 3.231 20 5 DGBDRO CCOc1cccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000302086480 433813011 /nfs/dbraw/zinc/81/30/11/433813011.db2.gz FCHSYNMNAQBVFS-CQSZACIVSA-N 1 0 319.405 3.058 20 5 DGBDRO C[C@@H]1[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CCC[N@@H+]1C ZINC000432144174 433820869 /nfs/dbraw/zinc/82/08/69/433820869.db2.gz VWGADGWWGIPJFN-DGCLKSJQSA-N 1 0 300.362 3.038 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000293664484 433821635 /nfs/dbraw/zinc/82/16/35/433821635.db2.gz OEDUUYJVUSTMNV-LBPRGKRZSA-N 1 0 319.188 3.416 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000302557996 433822932 /nfs/dbraw/zinc/82/29/32/433822932.db2.gz YTLOXZBLPXECJV-OAHLLOKOSA-N 1 0 303.406 3.358 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)C1CCC1 ZINC000357028082 433828223 /nfs/dbraw/zinc/82/82/23/433828223.db2.gz ASAZGUOVRZWUNP-ZDUSSCGKSA-N 1 0 319.405 3.352 20 5 DGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000293691871 433829084 /nfs/dbraw/zinc/82/90/84/433829084.db2.gz LGTMHKKJQOFCBR-ZIAGYGMSSA-N 1 0 321.421 3.106 20 5 DGBDRO COC(=O)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)C ZINC000351979891 433830601 /nfs/dbraw/zinc/83/06/01/433830601.db2.gz YYJAXXNYMYRYLQ-SOFGYWHQSA-N 1 0 320.389 3.129 20 5 DGBDRO CN(C)C1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433100555 433841014 /nfs/dbraw/zinc/84/10/14/433841014.db2.gz MRQUJQDQNOWXNU-MRXNPFEDSA-N 1 0 317.433 3.391 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000339889447 433842624 /nfs/dbraw/zinc/84/26/24/433842624.db2.gz GGNBQBGMEHOQOB-UHFFFAOYSA-N 1 0 310.313 3.112 20 5 DGBDRO [NH3+]C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000414798526 433844333 /nfs/dbraw/zinc/84/43/33/433844333.db2.gz JKPPZUUPXZIOAO-CQSZACIVSA-N 1 0 317.414 3.150 20 5 DGBDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000293744445 433849422 /nfs/dbraw/zinc/84/94/22/433849422.db2.gz NSRNBRNATFVREK-LBPRGKRZSA-N 1 0 315.373 3.079 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1(O)CCC1 ZINC000284203353 433861802 /nfs/dbraw/zinc/86/18/02/433861802.db2.gz BURVQUOWUUFRDT-CYBMUJFWSA-N 1 0 324.446 3.360 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN(CCCO)Cc1ccccc1 ZINC000362951043 433923466 /nfs/dbraw/zinc/92/34/66/433923466.db2.gz JVTBYDVDHVJRSA-UHFFFAOYSA-N 1 0 318.348 3.119 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000352038612 433880097 /nfs/dbraw/zinc/88/00/97/433880097.db2.gz KHOGGRMHENHLKA-CYBMUJFWSA-N 1 0 321.421 3.178 20 5 DGBDRO Cc1c(C[NH+]2CCC(c3cn[nH]c3)CC2)cccc1[N+](=O)[O-] ZINC000377494859 433893383 /nfs/dbraw/zinc/89/33/83/433893383.db2.gz MLLGEDVSUMXEOV-UHFFFAOYSA-N 1 0 300.362 3.006 20 5 DGBDRO CCC(CC)C[N@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000303595585 433951443 /nfs/dbraw/zinc/95/14/43/433951443.db2.gz IXIMBJGYVCPREA-UHFFFAOYSA-N 1 0 307.394 3.291 20 5 DGBDRO CC[C@@H]([NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414977633 433954868 /nfs/dbraw/zinc/95/48/68/433954868.db2.gz KFUHHUIFZNGWMH-SNVBAGLBSA-N 1 0 323.780 3.335 20 5 DGBDRO C[NH+](C)Cc1cccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000352190434 433965865 /nfs/dbraw/zinc/96/58/65/433965865.db2.gz NRDFGNNSJCHCSJ-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000390973994 293826222 /nfs/dbraw/zinc/82/62/22/293826222.db2.gz SJRRKYAIWHHSBP-LLVKDONJSA-N 1 0 300.305 3.128 20 5 DGBDRO CC(C)[NH+]1CCC(Nc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000395761822 293840072 /nfs/dbraw/zinc/84/00/72/293840072.db2.gz MCSVNMZONWWZAU-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000352296494 434029571 /nfs/dbraw/zinc/02/95/71/434029571.db2.gz FELGUJRQCXPBIW-HLLBOEOZSA-N 1 0 317.433 3.432 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000352296496 434029652 /nfs/dbraw/zinc/02/96/52/434029652.db2.gz FELGUJRQCXPBIW-UXLLHSPISA-N 1 0 317.433 3.432 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000352298664 434032339 /nfs/dbraw/zinc/03/23/39/434032339.db2.gz ZWXJNPDWGVXBFD-RVKKMQEKSA-N 1 0 317.433 3.432 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000340280007 434033657 /nfs/dbraw/zinc/03/36/57/434033657.db2.gz SJOHPDBVFWYYDP-MRXNPFEDSA-N 1 0 305.422 3.290 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C1CC1 ZINC000363385428 434038635 /nfs/dbraw/zinc/03/86/35/434038635.db2.gz YWRAGEPEKOZXQL-INIZCTEOSA-N 1 0 317.389 3.106 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000352310020 434038729 /nfs/dbraw/zinc/03/87/29/434038729.db2.gz FMNVEPQGVNWLAL-UMVBOHGHSA-N 1 0 323.462 3.494 20 5 DGBDRO Cc1cc(N2CCC(CCO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000401025981 293867130 /nfs/dbraw/zinc/86/71/30/293867130.db2.gz UKDACNUTKSJEGU-UHFFFAOYSA-N 1 0 315.373 3.050 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000450257967 434063670 /nfs/dbraw/zinc/06/36/70/434063670.db2.gz YJOCRMYECBBMGR-GOEBONIOSA-N 1 0 312.373 3.182 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000357554897 434074964 /nfs/dbraw/zinc/07/49/64/434074964.db2.gz SXLVYZARHVPLSI-ZIAGYGMSSA-N 1 0 319.405 3.495 20 5 DGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000340339436 434076260 /nfs/dbraw/zinc/07/62/60/434076260.db2.gz XDGVKGODPXOJPY-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO CC[N@H+](CCNc1nccc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000450298304 434088046 /nfs/dbraw/zinc/08/80/46/434088046.db2.gz APKVUXJGQQFUAU-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450304105 434094141 /nfs/dbraw/zinc/09/41/41/434094141.db2.gz KNOJWVDWCPEOIM-UHFFFAOYSA-N 1 0 314.389 3.110 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000450353810 434123373 /nfs/dbraw/zinc/12/33/73/434123373.db2.gz HBPUTWCYKHMEBI-NEPJUHHUSA-N 1 0 300.362 3.038 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000502853525 294177455 /nfs/dbraw/zinc/17/74/55/294177455.db2.gz AMYVLULKLITQRM-GXTWGEPZSA-N 1 0 305.378 3.010 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000504894844 294223469 /nfs/dbraw/zinc/22/34/69/294223469.db2.gz PBIRNNQRULEEMD-UVBJJODRSA-N 1 0 322.405 3.458 20 5 DGBDRO CCC[C@H](O)C[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000504912688 294224021 /nfs/dbraw/zinc/22/40/21/294224021.db2.gz ZLKGROIAQPHMEJ-STQMWFEESA-N 1 0 312.435 3.216 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C1CC1 ZINC000504900515 294224301 /nfs/dbraw/zinc/22/43/01/294224301.db2.gz ZCVYFDMWIXYWLB-CZUORRHYSA-N 1 0 324.446 3.216 20 5 DGBDRO CC[C@H](COC)[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000504922247 294224565 /nfs/dbraw/zinc/22/45/65/294224565.db2.gz ZZRKOOJCOYUDNN-CHWSQXEVSA-N 1 0 312.435 3.480 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450360540 434128311 /nfs/dbraw/zinc/12/83/11/434128311.db2.gz LFDDTSSPMHNEAB-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@H]1[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000363792844 434148362 /nfs/dbraw/zinc/14/83/62/434148362.db2.gz GSASHMWCHXHHEL-CQSZACIVSA-N 1 0 304.390 3.028 20 5 DGBDRO CC[C@@H]([NH2+]CCc1nc(C)oc1C)c1cccc([N+](=O)[O-])c1 ZINC000357777344 434172519 /nfs/dbraw/zinc/17/25/19/434172519.db2.gz HYIFIYMHOWPRDZ-OAHLLOKOSA-N 1 0 303.362 3.483 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000340539402 434196753 /nfs/dbraw/zinc/19/67/53/434196753.db2.gz ZGNDLPJMXPNJTC-NEPJUHHUSA-N 1 0 301.346 3.410 20 5 DGBDRO CCOc1cccc(NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000317061725 434197818 /nfs/dbraw/zinc/19/78/18/434197818.db2.gz FKGOEZQGEQQPKR-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000378493781 434200821 /nfs/dbraw/zinc/20/08/21/434200821.db2.gz IXWYQNQJROIVPV-RRFJBIMHSA-N 1 0 304.390 3.323 20 5 DGBDRO COC[C@@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000364146765 434246118 /nfs/dbraw/zinc/24/61/18/434246118.db2.gz GJEUGPHCPYBGPO-GFCCVEGCSA-N 1 0 312.797 3.497 20 5 DGBDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295192938 434251443 /nfs/dbraw/zinc/25/14/43/434251443.db2.gz XMISXYLLRDAQGQ-CYBMUJFWSA-N 1 0 318.373 3.353 20 5 DGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000320123297 434231563 /nfs/dbraw/zinc/23/15/63/434231563.db2.gz JFOXOWKPLXZKQT-LBPRGKRZSA-N 1 0 302.378 3.284 20 5 DGBDRO C[C@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000516315676 294603850 /nfs/dbraw/zinc/60/38/50/294603850.db2.gz PQPSNYYXGYWOKM-XHDPSFHLSA-N 1 0 316.332 3.388 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H](COC)C1 ZINC000364125940 434238293 /nfs/dbraw/zinc/23/82/93/434238293.db2.gz KJWHJIVXOPKFTL-CQSZACIVSA-N 1 0 322.405 3.242 20 5 DGBDRO CCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)O ZINC000358000988 434277622 /nfs/dbraw/zinc/27/76/22/434277622.db2.gz JIDCQYSIKLJGBD-UHFFFAOYSA-N 1 0 300.786 3.231 20 5 DGBDRO CN(C)[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417345108 434362209 /nfs/dbraw/zinc/36/22/09/434362209.db2.gz SZXQXAMBDPGBRH-ROUUACIJSA-N 1 0 317.433 3.292 20 5 DGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348472698 434338266 /nfs/dbraw/zinc/33/82/66/434338266.db2.gz YHFBRAZDTCAPAI-TZMCWYRMSA-N 1 0 320.418 3.235 20 5 DGBDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313965 434351431 /nfs/dbraw/zinc/35/14/31/434351431.db2.gz XPELOTCLUUBHSE-JJJFATQHSA-N 1 0 324.446 3.109 20 5 DGBDRO CCCC[C@@H](CN)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423298116 434351495 /nfs/dbraw/zinc/35/14/95/434351495.db2.gz NEWAPAGMFHICLP-JKSUJKDBSA-N 1 0 305.422 3.023 20 5 DGBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318631 434355043 /nfs/dbraw/zinc/35/50/43/434355043.db2.gz ZGKCKEROYMPJSN-VUCTXSBTSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@H]1CSC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295424511 434356200 /nfs/dbraw/zinc/35/62/00/434356200.db2.gz OCQSCMWWACJLOS-CABZTGNLSA-N 1 0 300.811 3.132 20 5 DGBDRO [NH3+][C@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000423321120 434357812 /nfs/dbraw/zinc/35/78/12/434357812.db2.gz MTNYDXDCVKVLTC-QZTJIDSGSA-N 1 0 311.385 3.011 20 5 DGBDRO Cc1cc(NC[C@H](c2ccco2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000359839589 434446084 /nfs/dbraw/zinc/44/60/84/434446084.db2.gz LBYJRRHVYYNFOB-CQSZACIVSA-N 1 0 307.325 3.350 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](C2CCC2)CC1 ZINC000295948143 434448081 /nfs/dbraw/zinc/44/80/81/434448081.db2.gz IJTLDIJMLQRDGZ-UHFFFAOYSA-N 1 0 310.785 3.072 20 5 DGBDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000348641545 434428090 /nfs/dbraw/zinc/42/80/90/434428090.db2.gz LVUQBMGDGMFYSE-VBQJREDUSA-N 1 0 306.406 3.434 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CCCCCC1 ZINC000520828641 294846779 /nfs/dbraw/zinc/84/67/79/294846779.db2.gz OACMHBSLAULNBW-UHFFFAOYSA-N 1 0 306.410 3.365 20 5 DGBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000521601264 294879460 /nfs/dbraw/zinc/87/94/60/294879460.db2.gz VQUHFPDZIPGWKP-QCZZGDTMSA-N 1 0 312.797 3.397 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525408838 295014298 /nfs/dbraw/zinc/01/42/98/295014298.db2.gz KWNCRKLZTRUXPC-CVEARBPZSA-N 1 0 306.406 3.273 20 5 DGBDRO CCCCOC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000353994660 434561677 /nfs/dbraw/zinc/56/16/77/434561677.db2.gz CMNPAFGUHICFKN-UHFFFAOYSA-N 1 0 322.405 3.385 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[NH+]2[C@@H](C)CC[C@@H]2C)n1 ZINC000527203249 295083596 /nfs/dbraw/zinc/08/35/96/295083596.db2.gz OSLHQCMWBYBWJY-RYUDHWBXSA-N 1 0 316.361 3.326 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000360340309 434582079 /nfs/dbraw/zinc/58/20/79/434582079.db2.gz YHFVMLCMWWUZPU-DVOMOZLQSA-N 1 0 319.405 3.338 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CC1(C)C ZINC000418112951 434589152 /nfs/dbraw/zinc/58/91/52/434589152.db2.gz ZJZNQKIQGZSAJK-GJZGRUSLSA-N 1 0 320.389 3.376 20 5 DGBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000418111647 434589420 /nfs/dbraw/zinc/58/94/20/434589420.db2.gz AEONYIMINBFNKC-QJPTWQEYSA-N 1 0 308.378 3.088 20 5 DGBDRO C[C@@H](CCn1cccn1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000354029241 434583561 /nfs/dbraw/zinc/58/35/61/434583561.db2.gz MRZFHVJLZSHQKG-HNNXBMFYSA-N 1 0 316.405 3.182 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000459744939 434692488 /nfs/dbraw/zinc/69/24/88/434692488.db2.gz DWQDHEAWDFVPAS-ZIAGYGMSSA-N 1 0 310.781 3.295 20 5 DGBDRO CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000349245961 434650219 /nfs/dbraw/zinc/65/02/19/434650219.db2.gz IWYOEKGWFSDMCY-YDHLFZDLSA-N 1 0 321.421 3.127 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459681456 434661350 /nfs/dbraw/zinc/66/13/50/434661350.db2.gz XDLOYPMBSIIQLP-CABCVRRESA-N 1 0 314.389 3.096 20 5 DGBDRO COc1cccc2c1C[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000459687074 434664424 /nfs/dbraw/zinc/66/44/24/434664424.db2.gz CEWYKYTUNPURQE-OAHLLOKOSA-N 1 0 312.369 3.169 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000360684954 434668165 /nfs/dbraw/zinc/66/81/65/434668165.db2.gz IIGCNOYYFSTSMI-LBPRGKRZSA-N 1 0 306.410 3.221 20 5 DGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000354209180 434672577 /nfs/dbraw/zinc/67/25/77/434672577.db2.gz QKLQGUPHZSMKGD-OLZOCXBDSA-N 1 0 309.385 3.039 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCn1ccnc1 ZINC000349383878 434699944 /nfs/dbraw/zinc/69/99/44/434699944.db2.gz MSRVHJAWZLHYAT-PTNGSMBKSA-N 1 0 314.389 3.217 20 5 DGBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC(C)(C)C1 ZINC000459736665 434687134 /nfs/dbraw/zinc/68/71/34/434687134.db2.gz QIGAEFKQPQXHST-UHFFFAOYSA-N 1 0 306.362 3.082 20 5 DGBDRO C[C@@H]1CC2(C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424378456 434713857 /nfs/dbraw/zinc/71/38/57/434713857.db2.gz NELBVDQFWQWUDS-ZDTYVGOBSA-N 1 0 315.417 3.072 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459792539 434720765 /nfs/dbraw/zinc/72/07/65/434720765.db2.gz SGWLYYHSSMQSKS-XOKHGSTOSA-N 1 0 318.417 3.463 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000459791800 434721159 /nfs/dbraw/zinc/72/11/59/434721159.db2.gz TVZFEFJLBXEHGX-SFDCQRBFSA-N 1 0 317.389 3.008 20 5 DGBDRO CCCNC(=O)C[N@H+](CCC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000411178745 434739369 /nfs/dbraw/zinc/73/93/69/434739369.db2.gz JZEUVEQPHKIQBL-AWEZNQCLSA-N 1 0 321.421 3.202 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000361030046 434772176 /nfs/dbraw/zinc/77/21/76/434772176.db2.gz IQJDWFYWHRWNMS-HOTGVXAUSA-N 1 0 322.405 3.285 20 5 DGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(C2CC2)cc1 ZINC000419331881 434773107 /nfs/dbraw/zinc/77/31/07/434773107.db2.gz HIIXCCBJDIQYKL-LBPRGKRZSA-N 1 0 300.362 3.020 20 5 DGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(C2CC2)cc1 ZINC000419331877 434774521 /nfs/dbraw/zinc/77/45/21/434774521.db2.gz HIIXCCBJDIQYKL-GFCCVEGCSA-N 1 0 300.362 3.020 20 5 DGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000443504670 434778263 /nfs/dbraw/zinc/77/82/63/434778263.db2.gz YQZYBNAZEUDDTE-QWHCGFSZSA-N 1 0 321.421 3.301 20 5 DGBDRO CC1(C)CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411557018 434800533 /nfs/dbraw/zinc/80/05/33/434800533.db2.gz YNKULGQELUZLEL-HNNXBMFYSA-N 1 0 319.405 3.482 20 5 DGBDRO CC(C)c1ccc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000361168355 434820342 /nfs/dbraw/zinc/82/03/42/434820342.db2.gz SISGJSIQKRZVNE-KBPBESRZSA-N 1 0 305.422 3.243 20 5 DGBDRO COC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000453228280 434834067 /nfs/dbraw/zinc/83/40/67/434834067.db2.gz QBVOGSPAXUWQFB-INIZCTEOSA-N 1 0 318.417 3.465 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000573128711 434878315 /nfs/dbraw/zinc/87/83/15/434878315.db2.gz XCERAWQVODMSFS-MRXNPFEDSA-N 1 0 306.406 3.182 20 5 DGBDRO Cc1cc(N(C)C2CC[NH+](C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461733046 434886113 /nfs/dbraw/zinc/88/61/13/434886113.db2.gz SALHAOFTTXLZCP-UHFFFAOYSA-N 1 0 309.385 3.351 20 5 DGBDRO CC[N@@H+]1CC[C@@H](N(C)c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000461947801 434893299 /nfs/dbraw/zinc/89/32/99/434893299.db2.gz KXVRJYRMHXXZGY-QWHCGFSZSA-N 1 0 309.385 3.351 20 5 DGBDRO CCOc1cc(C[NH2+][C@H](CC)[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000491805063 434865788 /nfs/dbraw/zinc/86/57/88/434865788.db2.gz FTWKXHOSNFBKTD-UKRRQHHQSA-N 1 0 308.378 3.041 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000573009680 434868565 /nfs/dbraw/zinc/86/85/65/434868565.db2.gz QFEHOEWEKYCGGB-LBPRGKRZSA-N 1 0 307.394 3.330 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000463032580 434940626 /nfs/dbraw/zinc/94/06/26/434940626.db2.gz YTDIEPNCFBWXAC-CVEARBPZSA-N 1 0 306.406 3.319 20 5 DGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000463055606 434940718 /nfs/dbraw/zinc/94/07/18/434940718.db2.gz UWEMOZXTDSIREO-AWEZNQCLSA-N 1 0 306.410 3.365 20 5 DGBDRO C[C@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC[C@@H]1O ZINC000574172163 434956522 /nfs/dbraw/zinc/95/65/22/434956522.db2.gz RKFCAYMUMSIPEY-BHYGNILZSA-N 1 0 304.390 3.113 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000465000910 435014017 /nfs/dbraw/zinc/01/40/17/435014017.db2.gz MDLWLDZCDOPVOH-RDJZCZTQSA-N 1 0 322.405 3.287 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000556923024 435038773 /nfs/dbraw/zinc/03/87/73/435038773.db2.gz HDQHTLNTFCYPIO-WBVHZDCISA-N 1 0 319.449 3.380 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000578843920 435112935 /nfs/dbraw/zinc/11/29/35/435112935.db2.gz RPYQWFNZNXLYNK-AWEZNQCLSA-N 1 0 316.357 3.060 20 5 DGBDRO CCOc1cc(N(CC[NH+](C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000559589705 435134631 /nfs/dbraw/zinc/13/46/31/435134631.db2.gz ZDEIAGVYTFTKKG-UHFFFAOYSA-N 1 0 321.421 3.304 20 5 DGBDRO CCCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000562059292 435251484 /nfs/dbraw/zinc/25/14/84/435251484.db2.gz YSOUFZVRMNBKKG-GFCCVEGCSA-N 1 0 308.378 3.472 20 5 DGBDRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000567459439 435319592 /nfs/dbraw/zinc/31/95/92/435319592.db2.gz VVBPHWSSCOFLKM-IATRGZMQSA-N 1 0 319.405 3.336 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000535264650 435328342 /nfs/dbraw/zinc/32/83/42/435328342.db2.gz GFRJHGSPVZSTSM-INIZCTEOSA-N 1 0 313.357 3.202 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567887391 435365610 /nfs/dbraw/zinc/36/56/10/435365610.db2.gz JJDQHORSBZNHHU-QGZWLABGSA-N 1 0 316.401 3.499 20 5 DGBDRO C[C@H]1C[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000536661692 435400007 /nfs/dbraw/zinc/40/00/07/435400007.db2.gz CHKHWZLIBYVXMZ-UWVGGRQHSA-N 1 0 300.305 3.427 20 5 DGBDRO CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513821598 435401755 /nfs/dbraw/zinc/40/17/55/435401755.db2.gz LUECFQMQKNNIOY-KYJSFNMBSA-N 1 0 320.433 3.447 20 5 DGBDRO CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513821599 435402268 /nfs/dbraw/zinc/40/22/68/435402268.db2.gz LUECFQMQKNNIOY-LESCRADOSA-N 1 0 320.433 3.447 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000481174535 435412950 /nfs/dbraw/zinc/41/29/50/435412950.db2.gz LGYMDOZILONUPL-GZBFAFLISA-N 1 0 322.405 3.397 20 5 DGBDRO CCC(=O)c1ccc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000480104804 435366329 /nfs/dbraw/zinc/36/63/29/435366329.db2.gz AYQNHXNBXAMXHL-DGCLKSJQSA-N 1 0 305.378 3.082 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000512884289 435372904 /nfs/dbraw/zinc/37/29/04/435372904.db2.gz CTHOHCQDLHQYIW-HIFRSBDPSA-N 1 0 306.406 3.480 20 5 DGBDRO COC1(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000480351795 435375387 /nfs/dbraw/zinc/37/53/87/435375387.db2.gz CIFSZEPJQOXMJM-UHFFFAOYSA-N 1 0 306.406 3.466 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000480576755 435386867 /nfs/dbraw/zinc/38/68/67/435386867.db2.gz FWWGZVZZPMZEMD-CALCHBBNSA-N 1 0 323.396 3.163 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CC[C@H](O)CC3)o2)c1 ZINC000513511082 435391089 /nfs/dbraw/zinc/39/10/89/435391089.db2.gz HCKFYHHMXNJAHN-CTYIDZIISA-N 1 0 316.357 3.248 20 5 DGBDRO CCN(CC)C[C@@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482515324 435469631 /nfs/dbraw/zinc/46/96/31/435469631.db2.gz WPMLEERQFSNVQW-RHSMWYFYSA-N 1 0 319.449 3.236 20 5 DGBDRO [NH3+]C[C@H]1CC[C@H](COc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000568501493 435442359 /nfs/dbraw/zinc/44/23/59/435442359.db2.gz ONBOWWHXXSXUEY-JOCQHMNTSA-N 1 0 315.373 3.287 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([NH2+]C(C)C)CC1 ZINC000483273663 435506705 /nfs/dbraw/zinc/50/67/05/435506705.db2.gz UDVKXOKYOYGMEI-PTNGSMBKSA-N 1 0 317.433 3.461 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](C2CCCCC2)CC1 ZINC000483487279 435523453 /nfs/dbraw/zinc/52/34/53/435523453.db2.gz GWFQGNHKVDNCHO-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000392 435492122 /nfs/dbraw/zinc/49/21/22/435492122.db2.gz IEHFPIUDYKKNMA-CKEIUWERSA-N 1 0 317.433 3.292 20 5 DGBDRO CC[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000483052463 435493519 /nfs/dbraw/zinc/49/35/19/435493519.db2.gz WEEQXTKNRUYQFM-ZDUSSCGKSA-N 1 0 308.378 3.104 20 5 DGBDRO CC(C)(C)CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000515744293 435501367 /nfs/dbraw/zinc/50/13/67/435501367.db2.gz AQPSHHOCWVLDHX-UHFFFAOYSA-N 1 0 305.422 3.149 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1COC ZINC000569776320 435559151 /nfs/dbraw/zinc/55/91/51/435559151.db2.gz XFUWUGPFTRVPBK-CYBMUJFWSA-N 1 0 309.410 3.274 20 5 DGBDRO CO[C@]1(C)C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1(C)C ZINC000540629678 435610545 /nfs/dbraw/zinc/61/05/45/435610545.db2.gz MYGQYNHYXVPRFE-MJWHDNRXSA-N 1 0 304.390 3.401 20 5 DGBDRO CC(C)CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486808329 435615243 /nfs/dbraw/zinc/61/52/43/435615243.db2.gz CLCDMRVADAPBAE-AWEZNQCLSA-N 1 0 319.405 3.434 20 5 DGBDRO CCn1cc(CN(C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000540906317 435625034 /nfs/dbraw/zinc/62/50/34/435625034.db2.gz PDWQXWMAXVRKGS-CYBMUJFWSA-N 1 0 302.378 3.313 20 5 DGBDRO CC(C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000518333889 435634003 /nfs/dbraw/zinc/63/40/03/435634003.db2.gz CLFPAIBISMJPAO-UHFFFAOYSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488749807 435642865 /nfs/dbraw/zinc/64/28/65/435642865.db2.gz JTNAJRZBBBNQQN-DXCKQFNASA-N 1 0 303.406 3.070 20 5 DGBDRO CN(C)c1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000570864210 435658864 /nfs/dbraw/zinc/65/88/64/435658864.db2.gz RQTVWDDWCPSNKC-KRWDZBQOSA-N 1 0 311.385 3.438 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000518396788 435638355 /nfs/dbraw/zinc/63/83/55/435638355.db2.gz JEDZMDBZVGSZHP-DIECFANBSA-N 1 0 314.385 3.129 20 5 DGBDRO CCOc1cccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000571218327 435688169 /nfs/dbraw/zinc/68/81/69/435688169.db2.gz NFXDHOHPHLUWMK-NEPJUHHUSA-N 1 0 305.378 3.031 20 5 DGBDRO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000549166972 435743559 /nfs/dbraw/zinc/74/35/59/435743559.db2.gz BSWLCOJQEZDHJP-UHFFFAOYSA-N 1 0 300.358 3.278 20 5 DGBDRO CC1(C)SC[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000549237401 435752116 /nfs/dbraw/zinc/75/21/16/435752116.db2.gz OQSDXWAPCSDJIW-UKRRQHHQSA-N 1 0 306.431 3.400 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000519792774 435709605 /nfs/dbraw/zinc/70/96/05/435709605.db2.gz PYEARQDYIDODGQ-NSHDSACASA-N 1 0 313.373 3.275 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CCO2)CC1 ZINC000548807024 435718939 /nfs/dbraw/zinc/71/89/39/435718939.db2.gz PEKHHNDNBTVPOG-KAMYIIQDSA-N 1 0 302.374 3.253 20 5 DGBDRO C[C@@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[NH+](C)C ZINC000491589295 435776662 /nfs/dbraw/zinc/77/66/62/435776662.db2.gz PRIHKFASLFZGSP-ZDUSSCGKSA-N 1 0 317.389 3.142 20 5 DGBDRO Cc1c([C@H](C)NC[C@H]2[NH2+]CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000423401284 301003547 /nfs/dbraw/zinc/00/35/47/301003547.db2.gz XNQAMMYPKZEAMU-XJKSGUPXSA-N 1 0 305.422 3.332 20 5 DGBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000662726331 436381248 /nfs/dbraw/zinc/38/12/48/436381248.db2.gz CIBADXQQIINSBK-GOSISDBHSA-N 1 0 321.424 3.491 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(O)CCCCC1)C1CC1 ZINC000134030178 312681720 /nfs/dbraw/zinc/68/17/20/312681720.db2.gz IUKQSLBPTWDWGI-MRXNPFEDSA-N 1 0 318.417 3.201 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000172020826 312739183 /nfs/dbraw/zinc/73/91/83/312739183.db2.gz KDQQUXWAHVAURV-HNNXBMFYSA-N 1 0 323.824 3.308 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)CCC2 ZINC000377078187 313014037 /nfs/dbraw/zinc/01/40/37/313014037.db2.gz NXWQSMJUUBCDRG-BRWVUGGUSA-N 1 0 302.374 3.129 20 5 DGBDRO C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000530686910 313396193 /nfs/dbraw/zinc/39/61/93/313396193.db2.gz GCAMWFSRFPVCQV-UHFFFAOYSA-N 1 0 303.406 3.045 20 5 DGBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000537611432 313823546 /nfs/dbraw/zinc/82/35/46/313823546.db2.gz DYABCRQSTLGDRH-HNNXBMFYSA-N 1 0 319.336 3.249 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000539297933 313906573 /nfs/dbraw/zinc/90/65/73/313906573.db2.gz WOMKUSWGVUQSKI-NOLJZWGESA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CCCO ZINC000540135618 313948160 /nfs/dbraw/zinc/94/81/60/313948160.db2.gz LENNDEMTRDUQNJ-AWEZNQCLSA-N 1 0 308.422 3.304 20 5 DGBDRO COc1ccc2c(c1)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)CC2 ZINC000540147858 313949522 /nfs/dbraw/zinc/94/95/22/313949522.db2.gz YNDYRGLILSBNSD-GOSISDBHSA-N 1 0 312.369 3.423 20 5 DGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000540395822 313958543 /nfs/dbraw/zinc/95/85/43/313958543.db2.gz AVXKKVAWMXFTFR-FRFSOERESA-N 1 0 306.406 3.321 20 5 DGBDRO CCC(CC)(CC(=O)OC)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000540629508 313969377 /nfs/dbraw/zinc/96/93/77/313969377.db2.gz VZPIOUBZYDPDAJ-CSKARUKUSA-N 1 0 320.389 3.320 20 5 DGBDRO CCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000541662600 314031219 /nfs/dbraw/zinc/03/12/19/314031219.db2.gz HTGOXEDKKVGWAJ-CQSZACIVSA-N 1 0 319.405 3.496 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000546190850 314295429 /nfs/dbraw/zinc/29/54/29/314295429.db2.gz DIIJIPGMDKCKEU-SNVBAGLBSA-N 1 0 317.336 3.338 20 5 DGBDRO CC(C)C(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000560275445 314910289 /nfs/dbraw/zinc/91/02/89/314910289.db2.gz VJJIBKMHZVIWOX-UHFFFAOYSA-N 1 0 304.394 3.489 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000562721680 315047831 /nfs/dbraw/zinc/04/78/31/315047831.db2.gz RGKOSTFBOLCVDU-GFCCVEGCSA-N 1 0 312.373 3.039 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563157504 315084234 /nfs/dbraw/zinc/08/42/34/315084234.db2.gz NBYIZTUMOCSBCG-PBHICJAKSA-N 1 0 304.390 3.329 20 5 DGBDRO Cc1nc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cs1 ZINC000563417982 315112868 /nfs/dbraw/zinc/11/28/68/315112868.db2.gz NOYHTVZYDPHVRB-AWEZNQCLSA-N 1 0 303.387 3.179 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1COc2ccccc21 ZINC000563419066 315113525 /nfs/dbraw/zinc/11/35/25/315113525.db2.gz RWCRUZDCGBHBTG-BLLLJJGKSA-N 1 0 310.353 3.348 20 5 DGBDRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564853920 315205764 /nfs/dbraw/zinc/20/57/64/315205764.db2.gz HWPGXXYOUZONIA-UONOGXRCSA-N 1 0 324.421 3.139 20 5 DGBDRO CC1(C)[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000565434835 315261545 /nfs/dbraw/zinc/26/15/45/315261545.db2.gz VRJJYLCFNWGWEF-SRABZTEZSA-N 1 0 316.401 3.375 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1COC ZINC000566936745 315384478 /nfs/dbraw/zinc/38/44/78/315384478.db2.gz XFUWUGPFTRVPBK-ZDUSSCGKSA-N 1 0 309.410 3.274 20 5 DGBDRO Cc1ccccc1[C@@H]([C@H](C)Nc1ccc([N+](=O)[O-])nc1)[NH+](C)C ZINC000572331427 315784545 /nfs/dbraw/zinc/78/45/45/315784545.db2.gz IIWHWDAPUCBZQM-SUMWQHHRSA-N 1 0 314.389 3.402 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000574818099 316003440 /nfs/dbraw/zinc/00/34/40/316003440.db2.gz MHJZTCWDVAAVMB-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cncnc2C)cc1[N+](=O)[O-] ZINC000575881449 316072240 /nfs/dbraw/zinc/07/22/40/316072240.db2.gz RESUCUAWWHPAGY-DGCLKSJQSA-N 1 0 300.362 3.413 20 5 DGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000575881140 316072396 /nfs/dbraw/zinc/07/23/96/316072396.db2.gz HJUCIXQOMTVWTO-PJQXDXOGSA-N 1 0 304.390 3.375 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)CC1CCCC1 ZINC000576886059 316178995 /nfs/dbraw/zinc/17/89/95/316178995.db2.gz HFEBOMMQDNUQHA-BBRMVZONSA-N 1 0 304.390 3.113 20 5 DGBDRO C[C@@H]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000577481690 316239920 /nfs/dbraw/zinc/23/99/20/316239920.db2.gz DGKICFHRHWENIZ-ZIAGYGMSSA-N 1 0 319.405 3.339 20 5 DGBDRO CC1(C)CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000578064042 316299441 /nfs/dbraw/zinc/29/94/41/316299441.db2.gz OOIHGVVCQPZCSP-LBPRGKRZSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc2ccccc21 ZINC000181649524 323262600 /nfs/dbraw/zinc/26/26/00/323262600.db2.gz ONBPBIHLAQKOKB-CYBMUJFWSA-N 1 0 310.357 3.295 20 5 DGBDRO CCCN(CCC)C(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181826316 323270836 /nfs/dbraw/zinc/27/08/36/323270836.db2.gz ABHREUOBSZPZGW-CQSZACIVSA-N 1 0 321.421 3.202 20 5 DGBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000182475428 323301082 /nfs/dbraw/zinc/30/10/82/323301082.db2.gz ZCIOULDORWNUHV-HNNXBMFYSA-N 1 0 319.361 3.319 20 5 DGBDRO Cc1csc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000184232386 323359536 /nfs/dbraw/zinc/35/95/36/323359536.db2.gz ZOFKVLQJGRDTAU-NSHDSACASA-N 1 0 307.375 3.089 20 5 DGBDRO CCCC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000184882806 323376605 /nfs/dbraw/zinc/37/66/05/323376605.db2.gz WBFKFYQACBZDBS-CQSZACIVSA-N 1 0 319.405 3.482 20 5 DGBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000193328165 323464186 /nfs/dbraw/zinc/46/41/86/323464186.db2.gz KSRGOOCIBDGQOL-SMDDNHRTSA-N 1 0 316.361 3.313 20 5 DGBDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000580744509 324033364 /nfs/dbraw/zinc/03/33/64/324033364.db2.gz WLUJVHHXOKRDGL-LSDHHAIUSA-N 1 0 307.438 3.234 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)Cn1cccn1 ZINC000580808271 324040727 /nfs/dbraw/zinc/04/07/27/324040727.db2.gz FDOHSUPTMFWFFZ-AAWPKVBNSA-N 1 0 314.389 3.121 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000581172229 324082421 /nfs/dbraw/zinc/08/24/21/324082421.db2.gz NPPUXRCRIDWLGX-LBPRGKRZSA-N 1 0 312.373 3.039 20 5 DGBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000581770118 324154936 /nfs/dbraw/zinc/15/49/36/324154936.db2.gz YTHJQVUEJJSXGR-SGMGOOAPSA-N 1 0 310.419 3.233 20 5 DGBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000583178477 324321460 /nfs/dbraw/zinc/32/14/60/324321460.db2.gz YCIPVHSGVOPALX-KRWDZBQOSA-N 1 0 316.357 3.202 20 5 DGBDRO Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000583499589 324361794 /nfs/dbraw/zinc/36/17/94/324361794.db2.gz PITMMPUNGTYKSK-HZPDHXFCSA-N 1 0 303.406 3.010 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000583631534 324377698 /nfs/dbraw/zinc/37/76/98/324377698.db2.gz DIMLORWAIPOPBB-DANOYGIBSA-N 1 0 309.369 3.493 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000583693496 324385551 /nfs/dbraw/zinc/38/55/51/324385551.db2.gz ULIDIULVVNSVGQ-BAJXVFJXSA-N 1 0 315.417 3.215 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000583693499 324385999 /nfs/dbraw/zinc/38/59/99/324385999.db2.gz ULIDIULVVNSVGQ-MBOQALFDSA-N 1 0 315.417 3.215 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CC[NH+]1CCCC1 ZINC000584378380 337232810 /nfs/dbraw/zinc/23/28/10/337232810.db2.gz HXYIPUMZOUYPID-QINSGFPZSA-N 1 0 303.406 3.026 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443637813 534339963 /nfs/dbraw/zinc/33/99/63/534339963.db2.gz CEFSXULYWALEBC-OLZOCXBDSA-N 1 0 319.405 3.210 20 5 DGBDRO Cc1noc(C)c1CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429241388 534348918 /nfs/dbraw/zinc/34/89/18/534348918.db2.gz WDVDUSSZJOJRKD-UHFFFAOYSA-N 1 0 303.362 3.267 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([NH2+]CC2CC2)CC1 ZINC000420290968 534346768 /nfs/dbraw/zinc/34/67/68/534346768.db2.gz MTTUXIVKDVUXRX-AWEZNQCLSA-N 1 0 317.433 3.428 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000339396677 519373393 /nfs/dbraw/zinc/37/33/93/519373393.db2.gz PONQSDLQKBLZDX-ZDUSSCGKSA-N 1 0 318.377 3.350 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(O)CC3)s2)cc1 ZINC000305741278 534881046 /nfs/dbraw/zinc/88/10/46/534881046.db2.gz ZMFZWJAYITUSDY-UHFFFAOYSA-N 1 0 318.398 3.280 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(NCC[NH+]3CCCCC3)c2c1 ZINC000413047914 534885300 /nfs/dbraw/zinc/88/53/00/534885300.db2.gz AKWJBOHMNZISAD-UHFFFAOYSA-N 1 0 300.362 3.041 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000432422905 534887542 /nfs/dbraw/zinc/88/75/42/534887542.db2.gz WAOCRMWXHNQWMI-UMAGBFNSSA-N 1 0 318.417 3.057 20 5 DGBDRO CC(C)(O)c1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000295682354 527367164 /nfs/dbraw/zinc/36/71/64/527367164.db2.gz KNFZNWOXUIAUSP-UHFFFAOYSA-N 1 0 314.385 3.155 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430126942 527501237 /nfs/dbraw/zinc/50/12/37/527501237.db2.gz VWNDTKKSSNRLOH-BXBOZWQASA-N 1 0 315.417 3.026 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430126943 527528841 /nfs/dbraw/zinc/52/88/41/527528841.db2.gz VWNDTKKSSNRLOH-KAPURRDVSA-N 1 0 315.417 3.026 20 5 DGBDRO CC(C)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444748198 527779026 /nfs/dbraw/zinc/77/90/26/527779026.db2.gz HKFAUZBUZNHMLU-KBPBESRZSA-N 1 0 319.405 3.290 20 5 DGBDRO CC(C)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000444774479 527779808 /nfs/dbraw/zinc/77/98/08/527779808.db2.gz WNDHIAXAWKBLRV-KGLIPLIRSA-N 1 0 319.405 3.290 20 5 DGBDRO CC(C)[C@H]1[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000431118944 527895058 /nfs/dbraw/zinc/89/50/58/527895058.db2.gz PDRJQQIRTLAQPM-MRXNPFEDSA-N 1 0 319.405 3.290 20 5 DGBDRO CC(C)[C@]1(CO)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000292966100 527993291 /nfs/dbraw/zinc/99/32/91/527993291.db2.gz GDAYVSXCZOQASA-RHSMWYFYSA-N 1 0 306.406 3.386 20 5 DGBDRO CC[NH+](CC)CCNc1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000302003164 528139440 /nfs/dbraw/zinc/13/94/40/528139440.db2.gz JRSWAPMKVDNUSD-UHFFFAOYSA-N 1 0 302.378 3.205 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432348151 528255606 /nfs/dbraw/zinc/25/56/06/528255606.db2.gz QPWRHKWHRVBCOX-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296747575 528256789 /nfs/dbraw/zinc/25/67/89/528256789.db2.gz PLAGUOKSCFQXBL-KGLIPLIRSA-N 1 0 321.421 3.138 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432348150 528262280 /nfs/dbraw/zinc/26/22/80/528262280.db2.gz QPWRHKWHRVBCOX-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[NH2+]Cc1cccc(NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000414862043 528349113 /nfs/dbraw/zinc/34/91/13/528349113.db2.gz GVUGXWITEBPSCY-UHFFFAOYSA-N 1 0 315.373 3.325 20 5 DGBDRO CCC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429418925 528534618 /nfs/dbraw/zinc/53/46/18/528534618.db2.gz PLMLOQHFPHUGAC-GFCCVEGCSA-N 1 0 307.394 3.338 20 5 DGBDRO CC(C)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444748200 528669284 /nfs/dbraw/zinc/66/92/84/528669284.db2.gz HKFAUZBUZNHMLU-UONOGXRCSA-N 1 0 319.405 3.290 20 5 DGBDRO CCOc1cccc(NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000302130071 528673779 /nfs/dbraw/zinc/67/37/79/528673779.db2.gz XSQKTLCHSKLILZ-ZDUSSCGKSA-N 1 0 307.394 3.137 20 5 DGBDRO CC(C)[C@@]1(CO)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000292966097 528895689 /nfs/dbraw/zinc/89/56/89/528895689.db2.gz GDAYVSXCZOQASA-PBHICJAKSA-N 1 0 306.406 3.386 20 5 DGBDRO CC1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444654435 528939103 /nfs/dbraw/zinc/93/91/03/528939103.db2.gz YYNXRVDXKHBHOX-UHFFFAOYSA-N 1 0 302.378 3.483 20 5 DGBDRO CC[NH+]1CCC(Nc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302025348 528988999 /nfs/dbraw/zinc/98/89/99/528988999.db2.gz PVUDEGGMDAVRRW-UHFFFAOYSA-N 1 0 314.389 3.348 20 5 DGBDRO CC(C)[NH+]1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413038029 529000988 /nfs/dbraw/zinc/00/09/88/529000988.db2.gz RBNNMQJWECBYGE-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429774996 529311687 /nfs/dbraw/zinc/31/16/87/529311687.db2.gz ORJBSHYNTJXZKI-RISCZKNCSA-N 1 0 316.361 3.313 20 5 DGBDRO CC[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000413048349 529374077 /nfs/dbraw/zinc/37/40/77/529374077.db2.gz ARSPHHOJQPXSGX-CQSZACIVSA-N 1 0 314.389 3.429 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494225107 535021586 /nfs/dbraw/zinc/02/15/86/535021586.db2.gz XVNABZBGPJIMHN-WBMJQRKESA-N 1 0 308.378 3.039 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000494225105 535021911 /nfs/dbraw/zinc/02/19/11/535021911.db2.gz XVNABZBGPJIMHN-LRDDRELGSA-N 1 0 308.378 3.039 20 5 DGBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000473820148 535440383 /nfs/dbraw/zinc/44/03/83/535440383.db2.gz BPIFLZZMRMEAJW-STQMWFEESA-N 1 0 322.405 3.396 20 5 DGBDRO CCOCCC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449198165 535488428 /nfs/dbraw/zinc/48/84/28/535488428.db2.gz ADUMXHRUIQRTTD-AWEZNQCLSA-N 1 0 306.406 3.322 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C)O ZINC000449544430 535805732 /nfs/dbraw/zinc/80/57/32/535805732.db2.gz QJRPIWRGUDPELB-IAQYHMDHSA-N 1 0 304.346 3.104 20 5 DGBDRO COC[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470171631 536520994 /nfs/dbraw/zinc/52/09/94/536520994.db2.gz MQTPJASTMXHSBC-IDJPSDCMSA-N 1 0 304.390 3.357 20 5 DGBDRO COC[C@]1(C)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000449393263 536673765 /nfs/dbraw/zinc/67/37/65/536673765.db2.gz LYBGGWHJIGWYBJ-CRPZLVSXSA-N 1 0 304.390 3.357 20 5 DGBDRO CO[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449497922 536678684 /nfs/dbraw/zinc/67/86/84/536678684.db2.gz KSJKYYZSRNAVJJ-IQRUHWCRSA-N 1 0 304.390 3.355 20 5 DGBDRO COc1ccc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449065087 536838830 /nfs/dbraw/zinc/83/88/30/536838830.db2.gz XNUCLUKJAKWHNK-AWEZNQCLSA-N 1 0 314.385 3.367 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731209047 574545173 /nfs/dbraw/zinc/54/51/73/574545173.db2.gz IMZVWFLQARCJNW-SNVBAGLBSA-N 1 0 308.407 3.347 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)sc2c1 ZINC000731206708 574545258 /nfs/dbraw/zinc/54/52/58/574545258.db2.gz POMVKBXTSJJCRY-YPMHNXCESA-N 1 0 318.402 3.243 20 5 DGBDRO CCCCCC[N@H+](C)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000731892814 574561450 /nfs/dbraw/zinc/56/14/50/574561450.db2.gz VWFQPHNXXARLJW-UHFFFAOYSA-N 1 0 307.394 3.354 20 5 DGBDRO CC1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000734482761 574661999 /nfs/dbraw/zinc/66/19/99/574661999.db2.gz UUCKPRJMFHRGPI-UHFFFAOYSA-N 1 0 321.396 3.435 20 5 DGBDRO CC1CCC([NH+]2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000734481965 574662144 /nfs/dbraw/zinc/66/21/44/574662144.db2.gz FXSBKAATQQJVDB-UHFFFAOYSA-N 1 0 321.396 3.435 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1ccc(O)cc1 ZINC000740003927 574917875 /nfs/dbraw/zinc/91/78/75/574917875.db2.gz CMKWAPNTLAMHGJ-UHFFFAOYSA-N 1 0 306.749 3.286 20 5 DGBDRO Cc1c(COC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000741013102 574948220 /nfs/dbraw/zinc/94/82/20/574948220.db2.gz CQGCAESNKOAKPW-MRXNPFEDSA-N 1 0 320.389 3.067 20 5 DGBDRO CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000741011570 574948276 /nfs/dbraw/zinc/94/82/76/574948276.db2.gz FOMKKECBQNCFNG-MRXNPFEDSA-N 1 0 320.389 3.149 20 5 DGBDRO CC(C)[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000741012912 574948318 /nfs/dbraw/zinc/94/83/18/574948318.db2.gz WWFVXGHVHKNQIL-INIZCTEOSA-N 1 0 320.389 3.149 20 5 DGBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000742178532 574983783 /nfs/dbraw/zinc/98/37/83/574983783.db2.gz WKFSBEXFBIBAIK-MRXNPFEDSA-N 1 0 316.405 3.400 20 5 DGBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000742426613 574999255 /nfs/dbraw/zinc/99/92/55/574999255.db2.gz YZEQWESHYPWJGX-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO CC(C)(C)CN(Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000728903116 575193195 /nfs/dbraw/zinc/19/31/95/575193195.db2.gz JSMXXRNFNIAUPV-UHFFFAOYSA-N 1 0 302.378 3.297 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000748820338 575609609 /nfs/dbraw/zinc/60/96/09/575609609.db2.gz WGUFJPTVEVLAHB-HNNXBMFYSA-N 1 0 324.739 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000748820340 575609707 /nfs/dbraw/zinc/60/97/07/575609707.db2.gz WGUFJPTVEVLAHB-OAHLLOKOSA-N 1 0 324.739 3.211 20 5 DGBDRO CC(C)CC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000852683527 620640464 /nfs/dbraw/zinc/64/04/64/620640464.db2.gz ZFEJZKUFHJTEMZ-UHFFFAOYSA-N 1 0 323.368 3.231 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCC2CC2)CC2CC2)c1 ZINC000852717087 620642526 /nfs/dbraw/zinc/64/25/26/620642526.db2.gz CUMQGVMFYJFZTH-QGZVFWFLSA-N 1 0 304.390 3.140 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2CN1CCOC2(C[NH2+]C2)C1 ZINC000853249286 620681907 /nfs/dbraw/zinc/68/19/07/620681907.db2.gz PBAPRPCUQBJYKN-UHFFFAOYSA-N 1 0 318.420 3.167 20 5 DGBDRO CCC(CC)[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111404191 620710006 /nfs/dbraw/zinc/71/00/06/620710006.db2.gz LZFWOCMDQMRVNF-CQSZACIVSA-N 1 0 300.786 3.135 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000923760480 620734838 /nfs/dbraw/zinc/73/48/38/620734838.db2.gz SMDOJUSHFGOHIY-ZDUSSCGKSA-N 1 0 302.334 3.190 20 5 DGBDRO CC[NH+](CC)CCOC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000919325110 620746831 /nfs/dbraw/zinc/74/68/31/620746831.db2.gz GSODARMOLLYPSZ-UHFFFAOYSA-N 1 0 322.405 3.391 20 5 DGBDRO C[C@H](OC(=O)C12CCC[NH+](CCC1)C2)c1cccc([N+](=O)[O-])c1 ZINC000892615701 618119768 /nfs/dbraw/zinc/11/97/68/618119768.db2.gz PZCQWQBLRAUVTE-ZDUSSCGKSA-N 1 0 318.373 3.075 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892668847 618131430 /nfs/dbraw/zinc/13/14/30/618131430.db2.gz RJGHMMKGSNUCFJ-LBPRGKRZSA-N 1 0 311.813 3.070 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854227523 620786308 /nfs/dbraw/zinc/78/63/08/620786308.db2.gz UWBJWEMJRLENOR-QLJPJBMISA-N 1 0 312.373 3.097 20 5 DGBDRO Cc1noc2ncc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cc12 ZINC000894541694 618377521 /nfs/dbraw/zinc/37/75/21/618377521.db2.gz DPTOKWHACLCUBF-UHFFFAOYSA-N 1 0 312.329 3.038 20 5 DGBDRO C[NH+](C)C1(C)CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000894847757 618475330 /nfs/dbraw/zinc/47/53/30/618475330.db2.gz FWHDDBLJSFIICN-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893267119 618491467 /nfs/dbraw/zinc/49/14/67/618491467.db2.gz SDYRPZKVDWPPLX-HZMBPMFUSA-N 1 0 324.764 3.443 20 5 DGBDRO CCC1(O)CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893296827 618502016 /nfs/dbraw/zinc/50/20/16/618502016.db2.gz DWSKYKMVLANADZ-UHFFFAOYSA-N 1 0 312.797 3.422 20 5 DGBDRO CCCSC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000894057169 618701779 /nfs/dbraw/zinc/70/17/79/618701779.db2.gz UYJKZNADKBVONY-SNVBAGLBSA-N 1 0 308.407 3.092 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cn2c(n1)CCCC2 ZINC000924954781 618748495 /nfs/dbraw/zinc/74/84/95/618748495.db2.gz JPGPUPMETRYYCP-CYBMUJFWSA-N 1 0 314.389 3.021 20 5 DGBDRO CCOc1cc(NCc2cc(N(C)C)cc[nH+]2)ccc1[N+](=O)[O-] ZINC000895465626 618788171 /nfs/dbraw/zinc/78/81/71/618788171.db2.gz LUDQWIBBKFBCCR-UHFFFAOYSA-N 1 0 316.361 3.067 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000895616193 618807452 /nfs/dbraw/zinc/80/74/52/618807452.db2.gz JAWRDKYTRGFWMS-LBPRGKRZSA-N 1 0 306.362 3.145 20 5 DGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](O)c1ccccc1 ZINC000895657833 618812858 /nfs/dbraw/zinc/81/28/58/618812858.db2.gz DZWJAUCAMCKAAC-MRXNPFEDSA-N 1 0 318.348 3.336 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCC3(CCC3)CO2)cc1 ZINC000895808790 618832293 /nfs/dbraw/zinc/83/22/93/618832293.db2.gz CTFIGXQOUALCNV-INIZCTEOSA-N 1 0 304.390 3.076 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCC=CCC3)CC2)cn1 ZINC000895894888 618845664 /nfs/dbraw/zinc/84/56/64/618845664.db2.gz OHNPWJBBSNWAFL-UHFFFAOYSA-N 1 0 316.405 3.047 20 5 DGBDRO C[NH+](C)CC[C@@H](Nc1ccc([N+](=O)[O-])s1)c1cccnc1 ZINC000895892731 618846530 /nfs/dbraw/zinc/84/65/30/618846530.db2.gz QHHXXUKXROLVRS-GFCCVEGCSA-N 1 0 306.391 3.156 20 5 DGBDRO Cc1ccc(N[C@@H](CC[NH+](C)C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000895890961 618846540 /nfs/dbraw/zinc/84/65/40/618846540.db2.gz GFYSUQFINDOHOK-HNNXBMFYSA-N 1 0 314.389 3.403 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000896027172 618864953 /nfs/dbraw/zinc/86/49/53/618864953.db2.gz VCQASIQFHFOQFB-ZDUSSCGKSA-N 1 0 310.781 3.440 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccnn1C1CCC1 ZINC000925153653 619055385 /nfs/dbraw/zinc/05/53/85/619055385.db2.gz MSYOXMZHELPVCJ-CYBMUJFWSA-N 1 0 314.389 3.410 20 5 DGBDRO Cc1nn(C)c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1Cl ZINC000897459123 619129892 /nfs/dbraw/zinc/12/98/92/619129892.db2.gz HRRXKFLUZDKDIZ-SNVBAGLBSA-N 1 0 322.796 3.183 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000897461276 619130140 /nfs/dbraw/zinc/13/01/40/619130140.db2.gz ZDDPSYZWPGBAIU-CSFVBSKPSA-N 1 0 316.401 3.246 20 5 DGBDRO COC(=O)C1CCC([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897463477 619130505 /nfs/dbraw/zinc/13/05/05/619130505.db2.gz GSTQPNAGYOIXSV-IYXRBSQSSA-N 1 0 320.389 3.020 20 5 DGBDRO CC(C)n1nccc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464033 619130617 /nfs/dbraw/zinc/13/06/17/619130617.db2.gz JQGVVKTVMHRLKS-ZDUSSCGKSA-N 1 0 302.378 3.266 20 5 DGBDRO C[C@H](C[NH2+]C[C@H]1CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000897461852 619130641 /nfs/dbraw/zinc/13/06/41/619130641.db2.gz ZGBQNFYPOKJDFS-NXEZZACHSA-N 1 0 303.189 3.482 20 5 DGBDRO CCOc1cncc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897461792 619130689 /nfs/dbraw/zinc/13/06/89/619130689.db2.gz XPZQJAWHJWSLSN-ZDUSSCGKSA-N 1 0 315.373 3.282 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc1O ZINC000897469600 619131644 /nfs/dbraw/zinc/13/16/44/619131644.db2.gz NCRLFQCTFKRCGM-GFCCVEGCSA-N 1 0 316.357 3.202 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C3(O)CCC3)CC2)c(Cl)c1 ZINC000897528232 619149302 /nfs/dbraw/zinc/14/93/02/619149302.db2.gz APFUZZGJSPXXTD-UHFFFAOYSA-N 1 0 310.781 3.033 20 5 DGBDRO CC(C)c1ccc(C[NH2+]Cc2cnn(CCF)c2)cc1[N+](=O)[O-] ZINC000897736569 619180453 /nfs/dbraw/zinc/18/04/53/619180453.db2.gz HAPQQGWOKSXUPY-UHFFFAOYSA-N 1 0 320.368 3.174 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897780396 619181770 /nfs/dbraw/zinc/18/17/70/619181770.db2.gz GIQSETRCIUFTRE-MKQDKFQKSA-N 1 0 320.389 3.041 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000897805030 619184220 /nfs/dbraw/zinc/18/42/20/619184220.db2.gz DGGJIRUJSJSQHP-CYBMUJFWSA-N 1 0 321.421 3.062 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897955989 619198549 /nfs/dbraw/zinc/19/85/49/619198549.db2.gz ZXHSDJDDZPJKCH-CZPYZCIJSA-N 1 0 317.389 3.090 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCOC2CCCC2)cc([N+](=O)[O-])c1 ZINC000903083771 619712986 /nfs/dbraw/zinc/71/29/86/619712986.db2.gz NFPLZMLJYXDZOD-LBPRGKRZSA-N 1 0 308.378 3.213 20 5 DGBDRO COc1cc([C@H](C)[NH2+]Cc2cccc(O)c2)cc([N+](=O)[O-])c1 ZINC000903086148 619713466 /nfs/dbraw/zinc/71/34/66/619713466.db2.gz KSUFSCFIRFLIHB-NSHDSACASA-N 1 0 302.330 3.160 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000903104484 619717206 /nfs/dbraw/zinc/71/72/06/619717206.db2.gz JAHINERTCUZKRF-PXAZEXFGSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000903106330 619717936 /nfs/dbraw/zinc/71/79/36/619717936.db2.gz HDWZWWUHRBRHCZ-QEJZJMRPSA-N 1 0 321.421 3.127 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](C)c2ccncc2)cc([N+](=O)[O-])c1 ZINC000903107591 619717944 /nfs/dbraw/zinc/71/79/44/619717944.db2.gz YOPRGLFHDGZBPD-CHWSQXEVSA-N 1 0 315.373 3.453 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903114023 619720457 /nfs/dbraw/zinc/72/04/57/619720457.db2.gz SDXCMZYSJXLLQP-RWMBFGLXSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903131950 619722435 /nfs/dbraw/zinc/72/24/35/619722435.db2.gz LYOGDMQSXFCLOU-BLLLJJGKSA-N 1 0 322.405 3.051 20 5 DGBDRO CCOCCC1(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903127662 619722492 /nfs/dbraw/zinc/72/24/92/619722492.db2.gz JOQXFEWUORQZCZ-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)cc([N+](=O)[O-])c1 ZINC000903139680 619724567 /nfs/dbraw/zinc/72/45/67/619724567.db2.gz QRDVHWZQVAWUOS-MWLCHTKSSA-N 1 0 300.305 3.442 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCCCOC(C)C)cc([N+](=O)[O-])c1 ZINC000903146868 619725550 /nfs/dbraw/zinc/72/55/50/619725550.db2.gz BUWMNKXKUCIQHE-CYBMUJFWSA-N 1 0 310.394 3.459 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000903147789 619728745 /nfs/dbraw/zinc/72/87/45/619728745.db2.gz NHWRHALNMMLLKK-DOMZBBRYSA-N 1 0 308.378 3.213 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccccn2)cc([N+](=O)[O-])c1 ZINC000903195753 619734099 /nfs/dbraw/zinc/73/40/99/619734099.db2.gz AAGVCPXSACITGE-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCN2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903196320 619734493 /nfs/dbraw/zinc/73/44/93/619734493.db2.gz MIXTZBCWUGQSNE-OCCSQVGLSA-N 1 0 321.421 3.127 20 5 DGBDRO COc1cc([C@@H](C)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903199625 619734858 /nfs/dbraw/zinc/73/48/58/619734858.db2.gz KWYPVUMHBLGKFR-OCCSQVGLSA-N 1 0 321.421 3.127 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2cnccc2C)cc([N+](=O)[O-])c1 ZINC000903200379 619735242 /nfs/dbraw/zinc/73/52/42/619735242.db2.gz RMUWRTIPUDTONR-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC2SCCS2)cc([N+](=O)[O-])c1 ZINC000903203630 619736409 /nfs/dbraw/zinc/73/64/09/619736409.db2.gz MFRWYDVOKXKMGY-SECBINFHSA-N 1 0 314.432 3.060 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC[C@H]2CCSC2)cc([N+](=O)[O-])c1 ZINC000903209883 619738879 /nfs/dbraw/zinc/73/88/79/619738879.db2.gz QYKJKJGUFOXNFD-NEPJUHHUSA-N 1 0 310.419 3.397 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000903244740 619743411 /nfs/dbraw/zinc/74/34/11/619743411.db2.gz CJOQWUWYCUNHKQ-MBNYWOFBSA-N 1 0 300.362 3.190 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000903244853 619743428 /nfs/dbraw/zinc/74/34/28/619743428.db2.gz FNNARUDRWUWSHE-BBRMVZONSA-N 1 0 306.406 3.493 20 5 DGBDRO Cc1cc([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000903245015 619743625 /nfs/dbraw/zinc/74/36/25/619743625.db2.gz IBBKBIOBNCKGAL-AAEUAGOBSA-N 1 0 302.378 3.091 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000903245840 619743646 /nfs/dbraw/zinc/74/36/46/619743646.db2.gz OSNZJFDYPJVLPX-DZKIICNBSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCCn2nccc21)c1ccccc1[N+](=O)[O-] ZINC000903244961 619743682 /nfs/dbraw/zinc/74/36/82/619743682.db2.gz HBVABZNWFLMOAA-GXTWGEPZSA-N 1 0 300.362 3.020 20 5 DGBDRO C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903257398 619746121 /nfs/dbraw/zinc/74/61/21/619746121.db2.gz GHUOICZFOVTXGC-LLVKDONJSA-N 1 0 308.353 3.080 20 5 DGBDRO C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1c(F)cccc1[N+](=O)[O-] ZINC000903280563 619751733 /nfs/dbraw/zinc/75/17/33/619751733.db2.gz VKZDGDMTLNVRNX-LLMNLENHSA-N 1 0 308.353 3.342 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)n1 ZINC000903315370 619758468 /nfs/dbraw/zinc/75/84/68/619758468.db2.gz FKTQFTIWLQJWTI-XPABHHOTSA-N 1 0 304.394 3.053 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C2CC(CCO)C2)c2cc([N+](=O)[O-])ccc21 ZINC000903329928 619762030 /nfs/dbraw/zinc/76/20/30/619762030.db2.gz OWLNMMORMSEBSI-ZEPSKSRBSA-N 1 0 304.390 3.068 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000903389028 619770587 /nfs/dbraw/zinc/77/05/87/619770587.db2.gz OEUUCZWDCNMTPI-RISCZKNCSA-N 1 0 308.353 3.486 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCOC12CCCC2 ZINC000903390967 619770959 /nfs/dbraw/zinc/77/09/59/619770959.db2.gz XSMNKQQISLHWIF-BLLLJJGKSA-N 1 0 320.389 3.356 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000924797827 619914588 /nfs/dbraw/zinc/91/45/88/619914588.db2.gz IFRODBSHQWCCGH-DRPJVOAASA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000924797832 619914772 /nfs/dbraw/zinc/91/47/72/619914772.db2.gz IFRODBSHQWCCGH-QCEMKRCNSA-N 1 0 304.390 3.451 20 5 DGBDRO COc1ccc(CNc2ccc(C(C)(C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000904470405 619924694 /nfs/dbraw/zinc/92/46/94/619924694.db2.gz JUJDAPJEUFDANU-UHFFFAOYSA-N 1 0 315.373 3.409 20 5 DGBDRO CSC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000905481519 620000484 /nfs/dbraw/zinc/00/04/84/620000484.db2.gz NWMNUHWMHDXKAW-OAHLLOKOSA-N 1 0 324.446 3.284 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1-c1cnc([C@H]2CCCC[NH2+]2)nc1 ZINC000906172816 620064913 /nfs/dbraw/zinc/06/49/13/620064913.db2.gz LXSPMQJGDWBYQA-CYBMUJFWSA-N 1 0 302.309 3.006 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000841087093 620230661 /nfs/dbraw/zinc/23/06/61/620230661.db2.gz MQDLIOPHRHYGJP-DZGCQCFKSA-N 1 0 323.824 3.212 20 5 DGBDRO COc1ccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1[N+](=O)[O-] ZINC000924840232 620336750 /nfs/dbraw/zinc/33/67/50/620336750.db2.gz BUTNSTDYPSPFTD-UHFFFAOYSA-N 1 0 320.389 3.041 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000915207795 620573820 /nfs/dbraw/zinc/57/38/20/620573820.db2.gz CCMOHICJNZBNCT-GLQYFDAESA-N 1 0 306.410 3.266 20 5 DGBDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000764643357 620575819 /nfs/dbraw/zinc/57/58/19/620575819.db2.gz WUOIVTIDGKYISI-WMZOPIPTSA-N 1 0 314.385 3.239 20 5 DGBDRO CC(C)(C)C[N@H+](CCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153858535 620618215 /nfs/dbraw/zinc/61/82/15/620618215.db2.gz CKUGQZUGOQZNHE-UHFFFAOYSA-N 1 0 314.813 3.479 20 5 DGBDRO C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000921552335 620907355 /nfs/dbraw/zinc/90/73/55/620907355.db2.gz KOMYHDVEHMCANF-CYBMUJFWSA-N 1 0 314.389 3.442 20 5 DGBDRO CC[C@@H]([NH2+]Cc1c2c(nn1C)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000921817685 620954841 /nfs/dbraw/zinc/95/48/41/620954841.db2.gz MFGGPIHLKWODRL-OAHLLOKOSA-N 1 0 314.389 3.058 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccnn2C2CCC2)cccc1[N+](=O)[O-] ZINC000922048342 620982998 /nfs/dbraw/zinc/98/29/98/620982998.db2.gz FOBJZVOCTIEZIU-UHFFFAOYSA-N 1 0 300.362 3.115 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922455843 621040001 /nfs/dbraw/zinc/04/00/01/621040001.db2.gz QAMQYSVPHRKYBH-WCQYABFASA-N 1 0 318.295 3.103 20 5 DGBDRO CO[C@@]1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000922571728 621058659 /nfs/dbraw/zinc/05/86/59/621058659.db2.gz GAQJXYOQMBKMSG-WDBUWWRISA-N 1 0 322.430 3.110 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cs1 ZINC000922698200 621084250 /nfs/dbraw/zinc/08/42/50/621084250.db2.gz VPRMDLKWQIFBTQ-UWVGGRQHSA-N 1 0 324.324 3.246 20 5 DGBDRO COc1cc(C[NH2+]CCC2CC=CC2)c([N+](=O)[O-])cc1OC ZINC000922735300 621091012 /nfs/dbraw/zinc/09/10/12/621091012.db2.gz OBRULVKGHFJVNU-UHFFFAOYSA-N 1 0 306.362 3.058 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000922841854 621107133 /nfs/dbraw/zinc/10/71/33/621107133.db2.gz JNNVPAPMJZRUTG-DGCLKSJQSA-N 1 0 310.419 3.367 20 5 DGBDRO CC(C)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000922892321 621119991 /nfs/dbraw/zinc/11/99/91/621119991.db2.gz AESYBHRBMLKKGY-QLBOMPFWSA-N 1 0 314.389 3.328 20 5 DGBDRO Cc1c(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000922898720 621128878 /nfs/dbraw/zinc/12/88/78/621128878.db2.gz ZUOUUDYYVSBCDA-DOTOQJQBSA-N 1 0 304.390 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2OCCc3ccccc32)cc1 ZINC000922960782 621139329 /nfs/dbraw/zinc/13/93/29/621139329.db2.gz AAIIHKUVSWPOQA-GOSISDBHSA-N 1 0 312.369 3.389 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c(F)c1 ZINC000922968708 621141547 /nfs/dbraw/zinc/14/15/47/621141547.db2.gz WLHVYDWFTGRCNY-AWEZNQCLSA-N 1 0 308.353 3.315 20 5 DGBDRO CC(C)CC[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000858241740 621167718 /nfs/dbraw/zinc/16/77/18/621167718.db2.gz ZOEREUIYENDHJU-LBPRGKRZSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC=CC3)CC2)cc1 ZINC000858461077 621193837 /nfs/dbraw/zinc/19/38/37/621193837.db2.gz IPJFRUAIALQCLR-UHFFFAOYSA-N 1 0 301.390 3.119 20 5 DGBDRO [NH3+]CC[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC000923556781 621194230 /nfs/dbraw/zinc/19/42/30/621194230.db2.gz IQLNQJQBDQBWMF-LBPRGKRZSA-N 1 0 315.348 3.187 20 5 DGBDRO CCC(F)(F)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000858509384 621200238 /nfs/dbraw/zinc/20/02/38/621200238.db2.gz VXOISYPYOBBXEI-UHFFFAOYSA-N 1 0 313.348 3.199 20 5 DGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C12CCC2 ZINC000839183794 621344460 /nfs/dbraw/zinc/34/44/60/621344460.db2.gz ZJPKHEIEDGAPRN-KGLIPLIRSA-N 1 0 310.781 3.295 20 5 DGBDRO C/C=C/C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860182728 621378330 /nfs/dbraw/zinc/37/83/30/621378330.db2.gz BRJZIUBQKRAVMV-YXQAPJRESA-N 1 0 304.390 3.306 20 5 DGBDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754171937 621493763 /nfs/dbraw/zinc/49/37/63/621493763.db2.gz XJBVFDUSTSGXGX-VHSXEESVSA-N 1 0 313.785 3.211 20 5 DGBDRO Cc1c(F)nccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000862326614 621574359 /nfs/dbraw/zinc/57/43/59/621574359.db2.gz QZBHDCUKJLQAOL-UHFFFAOYSA-N 1 0 303.337 3.462 20 5 DGBDRO CC(C)[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000755920940 621603287 /nfs/dbraw/zinc/60/32/87/621603287.db2.gz NDVNDZDBGHRNEG-OAHLLOKOSA-N 1 0 314.389 3.394 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2c(-c2nc(C3CC[NH2+]CC3)no2)c1 ZINC000863654750 621694603 /nfs/dbraw/zinc/69/46/03/621694603.db2.gz MUUMUXFTKMIUNN-UHFFFAOYSA-N 1 0 324.340 3.265 20 5 DGBDRO C[NH+](C)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000864004860 621726277 /nfs/dbraw/zinc/72/62/77/621726277.db2.gz CMLNUPZKTDXZJN-UHFFFAOYSA-N 1 0 317.364 3.302 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1[N+](=O)[O-] ZINC000865694633 621979012 /nfs/dbraw/zinc/97/90/12/621979012.db2.gz VAWQFJDUOSDBHZ-ORAAPJFESA-N 1 0 316.401 3.231 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000865760698 621990031 /nfs/dbraw/zinc/99/00/31/621990031.db2.gz FUOWGYOCNJJQTG-DOTOQJQBSA-N 1 0 304.390 3.198 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2cnn(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000865786502 621995600 /nfs/dbraw/zinc/99/56/00/621995600.db2.gz OOXOSDUDTFIFBG-UHFFFAOYSA-N 1 0 302.378 3.145 20 5 DGBDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000865872253 622012636 /nfs/dbraw/zinc/01/26/36/622012636.db2.gz JSSRAGMDTMDXTC-JSGCOSHPSA-N 1 0 318.373 3.494 20 5 DGBDRO CO[C@H]1CC[C@H](C)N(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000866073609 622041989 /nfs/dbraw/zinc/04/19/89/622041989.db2.gz QPORGWSLXRKJQN-AAEUAGOBSA-N 1 0 301.346 3.147 20 5 DGBDRO C[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCC1(C)C ZINC000866115249 622048152 /nfs/dbraw/zinc/04/81/52/622048152.db2.gz YFHRGTZFWLZDQX-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000866147427 622054837 /nfs/dbraw/zinc/05/48/37/622054837.db2.gz RSJOCNKASAKWCL-UHFFFAOYSA-N 1 0 307.394 3.278 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000866237087 622073051 /nfs/dbraw/zinc/07/30/51/622073051.db2.gz HEMSMOLRRQLHDE-LBPRGKRZSA-N 1 0 303.337 3.158 20 5 DGBDRO Cc1noc(C)c1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866243715 622074751 /nfs/dbraw/zinc/07/47/51/622074751.db2.gz XQFBMCWDNMGRRS-VIFPVBQESA-N 1 0 307.325 3.060 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccccc1O ZINC000866253039 622076918 /nfs/dbraw/zinc/07/69/18/622076918.db2.gz CZRCTFJGFFILOI-GFCCVEGCSA-N 1 0 318.348 3.203 20 5 DGBDRO Cc1noc(C)c1CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866263453 622078955 /nfs/dbraw/zinc/07/89/55/622078955.db2.gz QBPPBYBRMDLJFG-SNVBAGLBSA-N 1 0 321.352 3.102 20 5 DGBDRO CSCC[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866269589 622081129 /nfs/dbraw/zinc/08/11/29/622081129.db2.gz JYXVBPPSCAYEMW-QWRGUYRKSA-N 1 0 300.399 3.396 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000866307346 622089716 /nfs/dbraw/zinc/08/97/16/622089716.db2.gz YPIDBIJSYWFZME-DOMZBBRYSA-N 1 0 322.380 3.356 20 5 DGBDRO COCCC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866307802 622090203 /nfs/dbraw/zinc/09/02/03/622090203.db2.gz JRNOXRWFONKJKP-LBPRGKRZSA-N 1 0 310.369 3.071 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000866309391 622090621 /nfs/dbraw/zinc/09/06/21/622090621.db2.gz FMQIUCDAOLTCKX-WPGHFRTFSA-N 1 0 310.369 3.212 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000866309389 622090628 /nfs/dbraw/zinc/09/06/28/622090628.db2.gz FMQIUCDAOLTCKX-HZUKXOBISA-N 1 0 310.369 3.212 20 5 DGBDRO CC[C@H](CSC)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866313569 622091540 /nfs/dbraw/zinc/09/15/40/622091540.db2.gz CYCVVFGSNONTLM-GXFFZTMASA-N 1 0 300.399 3.396 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000866313070 622091631 /nfs/dbraw/zinc/09/16/31/622091631.db2.gz VHBGLNVWVCCVPE-IAGOWNOFSA-N 1 0 304.390 3.075 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CC(F)(F)C1 ZINC000866365671 622104296 /nfs/dbraw/zinc/10/42/96/622104296.db2.gz VDIMZVBDXQWKIM-SECBINFHSA-N 1 0 302.296 3.300 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000866367953 622104459 /nfs/dbraw/zinc/10/44/59/622104459.db2.gz RUPLOPCYRWBNRQ-UHIISALHSA-N 1 0 318.352 3.157 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000866370298 622105122 /nfs/dbraw/zinc/10/51/22/622105122.db2.gz UNHAAQVTLDNLHQ-STQMWFEESA-N 1 0 324.396 3.460 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000866375159 622106302 /nfs/dbraw/zinc/10/63/02/622106302.db2.gz LIUPEDQBMWSJDT-WPGHFRTFSA-N 1 0 312.385 3.050 20 5 DGBDRO COCC1(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866382720 622107279 /nfs/dbraw/zinc/10/72/79/622107279.db2.gz UBALJBUVXRZANK-GFCCVEGCSA-N 1 0 310.369 3.071 20 5 DGBDRO Cc1ccncc1CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866386759 622108139 /nfs/dbraw/zinc/10/81/39/622108139.db2.gz JPMRGQMSBYDURP-CYBMUJFWSA-N 1 0 317.364 3.201 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CC1(F)F ZINC000866389693 622108860 /nfs/dbraw/zinc/10/88/60/622108860.db2.gz IHGFSHQCXCBTFA-NOZJJQNGSA-N 1 0 302.296 3.300 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCC34CC4)CC2)cc1 ZINC000866410620 622113253 /nfs/dbraw/zinc/11/32/53/622113253.db2.gz OKNFZYHEFMZLIS-KRWDZBQOSA-N 1 0 315.417 3.486 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000866425593 622115810 /nfs/dbraw/zinc/11/58/10/622115810.db2.gz NDQGJMXGNUOWLK-JSGCOSHPSA-N 1 0 322.405 3.343 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cccc([N+](=O)[O-])c1 ZINC000866449171 622120480 /nfs/dbraw/zinc/12/04/80/622120480.db2.gz ZDNJPAJBDYPEQM-CKKSUAKZSA-N 1 0 302.374 3.059 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCC[C@@H]2F)n1 ZINC000866450430 622120976 /nfs/dbraw/zinc/12/09/76/622120976.db2.gz UBPIDGALQUXIJG-RFQIPJPRSA-N 1 0 310.373 3.145 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000866512023 622129825 /nfs/dbraw/zinc/12/98/25/622129825.db2.gz HHZINDHWSFOGOH-SKDZVZGDSA-N 1 0 316.401 3.377 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866512716 622130330 /nfs/dbraw/zinc/13/03/30/622130330.db2.gz NYIYPJAYPOQDHH-YLVFBTJISA-N 1 0 319.405 3.033 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000866527409 622131791 /nfs/dbraw/zinc/13/17/91/622131791.db2.gz IEBYXUAAOBQNTH-DZGCQCFKSA-N 1 0 304.390 3.452 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000866527430 622131987 /nfs/dbraw/zinc/13/19/87/622131987.db2.gz IJPLWPARHSTBMG-DZGCQCFKSA-N 1 0 304.390 3.452 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000866527433 622132025 /nfs/dbraw/zinc/13/20/25/622132025.db2.gz IJPLWPARHSTBMG-ZFWWWQNUSA-N 1 0 304.390 3.452 20 5 DGBDRO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866622927 622148991 /nfs/dbraw/zinc/14/89/91/622148991.db2.gz JSXPAHIXWJCIIK-WBMJQRKESA-N 1 0 319.405 3.319 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)N1CCCCC1 ZINC000765257472 622254480 /nfs/dbraw/zinc/25/44/80/622254480.db2.gz YKDKLRAQQKSICG-GJZGRUSLSA-N 1 0 305.422 3.428 20 5 DGBDRO CC(C)C1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765849341 622291223 /nfs/dbraw/zinc/29/12/23/622291223.db2.gz ORUZNOBIIDICMO-PGEKIEPBSA-N 1 0 306.406 3.433 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000766143032 622309256 /nfs/dbraw/zinc/30/92/56/622309256.db2.gz VRQZUHYKIUMFOF-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000766376341 622325066 /nfs/dbraw/zinc/32/50/66/622325066.db2.gz ZMOAVYCHUGYWKX-VXGBXAGGSA-N 1 0 302.378 3.188 20 5 DGBDRO CSC[C@H]1CCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000767772852 622421353 /nfs/dbraw/zinc/42/13/53/622421353.db2.gz ALBVKXKUGJPZJI-CYBMUJFWSA-N 1 0 320.418 3.038 20 5 DGBDRO COC[C@H]1CCCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000767940222 622429554 /nfs/dbraw/zinc/42/95/54/622429554.db2.gz ITICEALSPIYHGD-LBPRGKRZSA-N 1 0 312.797 3.497 20 5 DGBDRO CCCC[N@H+](CCOC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768541610 622463452 /nfs/dbraw/zinc/46/34/52/622463452.db2.gz JHKUTTLJTJSIGF-UHFFFAOYSA-N 1 0 300.786 3.497 20 5 DGBDRO COCC[N@H+](CCO)Cc1c2ccccc2cc2ccccc21 ZINC000769312364 622516575 /nfs/dbraw/zinc/51/65/75/622516575.db2.gz LLXOEBVYEAIZJV-UHFFFAOYSA-N 1 0 309.409 3.434 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ccnc(F)c1[N+](=O)[O-])c1ccco1 ZINC000881855974 625577344 /nfs/dbraw/zinc/57/73/44/625577344.db2.gz BTHJNBVEEZATHO-GFCCVEGCSA-N 1 0 322.340 3.217 20 5 DGBDRO Cc1ccc(F)c(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000769911166 622575096 /nfs/dbraw/zinc/57/50/96/622575096.db2.gz XCQWHISCYAXWCW-QGZVFWFLSA-N 1 0 318.348 3.208 20 5 DGBDRO C[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC12CCC2 ZINC000770671697 622660015 /nfs/dbraw/zinc/66/00/15/622660015.db2.gz UMBKDWQQLNPQPS-ZDUSSCGKSA-N 1 0 314.389 3.414 20 5 DGBDRO Cc1sc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1[N+](=O)[O-] ZINC000871794749 622700690 /nfs/dbraw/zinc/70/06/90/622700690.db2.gz ZSBJZWZLJVCFIZ-PBINXNQUSA-N 1 0 320.374 3.013 20 5 DGBDRO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017434 622753375 /nfs/dbraw/zinc/75/33/75/622753375.db2.gz ABHLTVPAPGSADN-LLVKDONJSA-N 1 0 307.369 3.011 20 5 DGBDRO C[C@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000872024774 622757980 /nfs/dbraw/zinc/75/79/80/622757980.db2.gz DVNQBTKQFATAKY-CHWSQXEVSA-N 1 0 309.385 3.116 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccccc1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872032326 622763708 /nfs/dbraw/zinc/76/37/08/622763708.db2.gz ZTDPTPONVJOEEB-LLVKDONJSA-N 1 0 304.321 3.333 20 5 DGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872032661 622763960 /nfs/dbraw/zinc/76/39/60/622763960.db2.gz XONMARZHAWHQKJ-NEPJUHHUSA-N 1 0 320.368 3.226 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(C)CCOC1 ZINC000872034472 622764743 /nfs/dbraw/zinc/76/47/43/622764743.db2.gz JJWSEWCZMQHHTM-ABAIWWIYSA-N 1 0 310.419 3.394 20 5 DGBDRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043297 622770367 /nfs/dbraw/zinc/77/03/67/622770367.db2.gz WOXMQTADWUSMTI-NEPJUHHUSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043381 622770471 /nfs/dbraw/zinc/77/04/71/622770471.db2.gz XKVBDCHHILZCKT-ZJUUUORDSA-N 1 0 316.423 3.233 20 5 DGBDRO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872049834 622775299 /nfs/dbraw/zinc/77/52/99/622775299.db2.gz WDMOWAZPDVRVRZ-MLGOLLRUSA-N 1 0 318.348 3.427 20 5 DGBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051142 622776346 /nfs/dbraw/zinc/77/63/46/622776346.db2.gz HKWCJIVYUKHNJR-ABAIWWIYSA-N 1 0 312.385 3.428 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@H](C)CO ZINC000872051853 622777258 /nfs/dbraw/zinc/77/72/58/622777258.db2.gz NWMWQJXEJUUCHI-RYUDHWBXSA-N 1 0 312.435 3.376 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062182 622783477 /nfs/dbraw/zinc/78/34/77/622783477.db2.gz KGOXSDIMSVJDIC-ITDIGPHOSA-N 1 0 308.353 3.342 20 5 DGBDRO CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872074569 622790968 /nfs/dbraw/zinc/79/09/68/622790968.db2.gz YJKZTEZQLCWRMF-QMTHXVAHSA-N 1 0 310.419 3.392 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)CCCO ZINC000872075103 622791264 /nfs/dbraw/zinc/79/12/64/622791264.db2.gz OBUPJPIXAYGUIJ-VXGBXAGGSA-N 1 0 312.435 3.376 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000872078785 622792833 /nfs/dbraw/zinc/79/28/33/622792833.db2.gz JSHBSCXNZSLXOW-LEWSCRJBSA-N 1 0 308.353 3.342 20 5 DGBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872090842 622800335 /nfs/dbraw/zinc/80/03/35/622800335.db2.gz TVOWTTWJSJODQI-GMXVVIOVSA-N 1 0 310.419 3.392 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872108867 622811080 /nfs/dbraw/zinc/81/10/80/622811080.db2.gz YQJRPTUKJJJHMO-RKHKHNFPSA-N 1 0 322.380 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CCC3(CC3)CC2)cc1 ZINC000872223057 622860844 /nfs/dbraw/zinc/86/08/44/622860844.db2.gz MOSAZMPSYXNBLB-INIZCTEOSA-N 1 0 304.390 3.188 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000772982587 622961242 /nfs/dbraw/zinc/96/12/42/622961242.db2.gz XMVYBCZIIRINNV-NSHDSACASA-N 1 0 321.764 3.373 20 5 DGBDRO COC[C@H](CC(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000773036615 622972128 /nfs/dbraw/zinc/97/21/28/622972128.db2.gz QUCURYCHGZYPMN-LBPRGKRZSA-N 1 0 300.786 3.399 20 5 DGBDRO CCn1nc(C)c(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1C ZINC000873038073 623022668 /nfs/dbraw/zinc/02/26/68/623022668.db2.gz KZLFZOORWSTBHN-UHFFFAOYSA-N 1 0 316.405 3.335 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000873057815 623026751 /nfs/dbraw/zinc/02/67/51/623026751.db2.gz CDLUOUYHWPXMMM-OAHLLOKOSA-N 1 0 306.387 3.096 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000873059287 623026783 /nfs/dbraw/zinc/02/67/83/623026783.db2.gz OZDMKQHRFFLZMB-MRXNPFEDSA-N 1 0 320.414 3.270 20 5 DGBDRO Cc1c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873098112 623035489 /nfs/dbraw/zinc/03/54/89/623035489.db2.gz KRVPJDNYCYIFEX-QGZVFWFLSA-N 1 0 318.348 3.040 20 5 DGBDRO Cc1c(C[NH2+]CC2([C@@H](C)CCO)CCC2)cccc1[N+](=O)[O-] ZINC000873101132 623036627 /nfs/dbraw/zinc/03/66/27/623036627.db2.gz PMDOXMWRWFRJKX-ZDUSSCGKSA-N 1 0 306.406 3.182 20 5 DGBDRO Cc1c(C[NH2+]CCc2nn(C)c3ccccc23)cccc1[N+](=O)[O-] ZINC000873108049 623037266 /nfs/dbraw/zinc/03/72/66/623037266.db2.gz BXYZOCYIEPRBDQ-UHFFFAOYSA-N 1 0 324.384 3.122 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cccc1[N+](=O)[O-] ZINC000873115581 623039325 /nfs/dbraw/zinc/03/93/25/623039325.db2.gz QFYOVNPKPVVORH-MRXNPFEDSA-N 1 0 312.369 3.256 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2CCN2C2CCCC2)cccc1[N+](=O)[O-] ZINC000873148346 623049605 /nfs/dbraw/zinc/04/96/05/623049605.db2.gz LOTSQFURCOMBJR-MRXNPFEDSA-N 1 0 303.406 3.010 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2c3ccccc3CN2C)cccc1[N+](=O)[O-] ZINC000873151797 623051145 /nfs/dbraw/zinc/05/11/45/623051145.db2.gz AOVJMOANMJRTMY-SFHVURJKSA-N 1 0 311.385 3.180 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873156320 623054671 /nfs/dbraw/zinc/05/46/71/623054671.db2.gz UPFYKILCDJHBOF-JKIFEVAISA-N 1 0 304.390 3.259 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c1 ZINC000873156603 623055627 /nfs/dbraw/zinc/05/56/27/623055627.db2.gz LMNMAVDSCAZIMK-RIEGTJTDSA-N 1 0 310.781 3.295 20 5 DGBDRO CC1(O)CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000774212420 623120665 /nfs/dbraw/zinc/12/06/65/623120665.db2.gz ISYKTGIEQSBIBW-BLDCVEFLSA-N 1 0 304.390 3.255 20 5 DGBDRO CN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000774536237 623157965 /nfs/dbraw/zinc/15/79/65/623157965.db2.gz LDLUWYRPRVJPMS-GOSISDBHSA-N 1 0 311.385 3.306 20 5 DGBDRO Cc1cc(F)ccc1[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775187561 623240344 /nfs/dbraw/zinc/24/03/44/623240344.db2.gz OMIOPQHISLUPJV-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000775385067 623263875 /nfs/dbraw/zinc/26/38/75/623263875.db2.gz ILYSYAIVCYROCE-KFWWJZLASA-N 1 0 324.471 3.107 20 5 DGBDRO CC(C)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000775447090 623275980 /nfs/dbraw/zinc/27/59/80/623275980.db2.gz XCOAWRCZULTIEU-KRWDZBQOSA-N 1 0 315.373 3.356 20 5 DGBDRO CCC[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000125199486 623382068 /nfs/dbraw/zinc/38/20/68/623382068.db2.gz XVDADVCFOCXGML-LSDHHAIUSA-N 1 0 304.346 3.352 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](Cc2ccccc2)C2CC2)cc1 ZINC000776279891 623407005 /nfs/dbraw/zinc/40/70/05/623407005.db2.gz YOCIXKTWQPBVBC-GOSISDBHSA-N 1 0 312.369 3.293 20 5 DGBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000776581614 623443252 /nfs/dbraw/zinc/44/32/52/623443252.db2.gz KXUHCNFMMYRHGD-OAHLLOKOSA-N 1 0 306.387 3.130 20 5 DGBDRO CC(C)(C)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776583387 623443299 /nfs/dbraw/zinc/44/32/99/623443299.db2.gz FHDUNVFRLWPANH-INIZCTEOSA-N 1 0 306.406 3.386 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCc3ccccc3C2)cc1 ZINC000776583242 623443329 /nfs/dbraw/zinc/44/33/29/623443329.db2.gz ZFRINFHSBFSNNS-SFHVURJKSA-N 1 0 312.369 3.077 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000776584662 623443768 /nfs/dbraw/zinc/44/37/68/623443768.db2.gz OFGXZJWLHWEJBL-QZTJIDSGSA-N 1 0 316.401 3.451 20 5 DGBDRO CCSCC[C@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590068 623443803 /nfs/dbraw/zinc/44/38/03/623443803.db2.gz BAYKZRFVNGSTEF-SWLSCSKDSA-N 1 0 312.435 3.092 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000876633447 623664658 /nfs/dbraw/zinc/66/46/58/623664658.db2.gz QXFKLWOXRDRFBT-UHFFFAOYSA-N 1 0 314.389 3.314 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000876780636 623705357 /nfs/dbraw/zinc/70/53/57/623705357.db2.gz XKHLXDMLIIMUDE-MRXNPFEDSA-N 1 0 318.417 3.460 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000876804736 623711012 /nfs/dbraw/zinc/71/10/12/623711012.db2.gz TYTSLYIVYVVDAY-PBHICJAKSA-N 1 0 304.390 3.213 20 5 DGBDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000876942377 623750688 /nfs/dbraw/zinc/75/06/88/623750688.db2.gz XRHGEOFZQNOZCX-XUSGNXJCSA-N 1 0 314.322 3.407 20 5 DGBDRO CCCC1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876969043 623757166 /nfs/dbraw/zinc/75/71/66/623757166.db2.gz WDWMODLALSXNOR-UHFFFAOYSA-N 1 0 306.410 3.443 20 5 DGBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCCC1 ZINC000876995660 623762531 /nfs/dbraw/zinc/76/25/31/623762531.db2.gz HIXVVHJUBWNRPP-ZBCRRDGASA-N 1 0 306.410 3.443 20 5 DGBDRO CCCC[C@H]1CCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877004786 623764374 /nfs/dbraw/zinc/76/43/74/623764374.db2.gz RODQJGPQNIDAJD-WLIAPVHPSA-N 1 0 306.410 3.443 20 5 DGBDRO C[C@H]1CCC[C@H](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877029507 623769693 /nfs/dbraw/zinc/76/96/93/623769693.db2.gz FNLQGPRDHCJRKZ-ZUJMUWTESA-N 1 0 306.410 3.301 20 5 DGBDRO C[C@@H]1CCC[C@@H](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877029504 623769923 /nfs/dbraw/zinc/76/99/23/623769923.db2.gz FNLQGPRDHCJRKZ-DNDYEEKYSA-N 1 0 306.410 3.301 20 5 DGBDRO CSC(C)(C)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000877479989 623902966 /nfs/dbraw/zinc/90/29/66/623902966.db2.gz IGAMLDFGBWIGCE-UHFFFAOYSA-N 1 0 308.407 3.092 20 5 DGBDRO CCC[C@]1(CO)CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877537988 623931183 /nfs/dbraw/zinc/93/11/83/623931183.db2.gz RXZZBKUKUJOZDI-KRWDZBQOSA-N 1 0 306.406 3.196 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cccc1[N+](=O)[O-] ZINC000790695260 625687586 /nfs/dbraw/zinc/68/75/86/625687586.db2.gz LOXXVYGBEGNYLV-SNPRPXQTSA-N 1 0 324.471 3.372 20 5 DGBDRO CCC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000877586910 623952534 /nfs/dbraw/zinc/95/25/34/623952534.db2.gz XFXFUWSQSAVDBT-XUJLQICISA-N 1 0 306.410 3.443 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@](C)(O)c1ccccc1 ZINC000877610964 623961352 /nfs/dbraw/zinc/96/13/52/623961352.db2.gz UKGXZKZFGLEBKO-KSSFIOAISA-N 1 0 314.385 3.023 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877744542 624016708 /nfs/dbraw/zinc/01/67/08/624016708.db2.gz VGNXRXIQKBSHNH-WBVHZDCISA-N 1 0 317.433 3.244 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000877835071 624063975 /nfs/dbraw/zinc/06/39/75/624063975.db2.gz GCQCTANMBTVOMW-CQSZACIVSA-N 1 0 306.406 3.311 20 5 DGBDRO CCC[C@@H](C)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877953952 624108233 /nfs/dbraw/zinc/10/82/33/624108233.db2.gz TYIXFGLHAUSVSM-LLVKDONJSA-N 1 0 304.350 3.265 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878088350 624162693 /nfs/dbraw/zinc/16/26/93/624162693.db2.gz MTQOBHDEGXEEPA-VXGBXAGGSA-N 1 0 316.361 3.408 20 5 DGBDRO C[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]2CCCC[C@@H]12 ZINC000782278957 624232267 /nfs/dbraw/zinc/23/22/67/624232267.db2.gz ZVMASMKAWKWJTL-KCXAZCMYSA-N 1 0 314.389 3.413 20 5 DGBDRO C[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782501875 624257323 /nfs/dbraw/zinc/25/73/23/624257323.db2.gz SHPMXIVYRMOBDE-GFCCVEGCSA-N 1 0 323.368 3.327 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC000782636697 624269757 /nfs/dbraw/zinc/26/97/57/624269757.db2.gz HZBCIBDCFWYYLR-MRXNPFEDSA-N 1 0 304.390 3.284 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878414035 624271948 /nfs/dbraw/zinc/27/19/48/624271948.db2.gz IBJWUSULEBWCNY-AAEUAGOBSA-N 1 0 316.361 3.313 20 5 DGBDRO CC(C)([NH2+]CCCOC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000878643341 624328452 /nfs/dbraw/zinc/32/84/52/624328452.db2.gz GWLMENYQLRZRJE-UHFFFAOYSA-N 1 0 306.284 3.346 20 5 DGBDRO Cc1csc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000783596486 624372625 /nfs/dbraw/zinc/37/26/25/624372625.db2.gz MEHAJJCLAJENJK-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO C[N@@H+]1CCCC12CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000784252440 624465093 /nfs/dbraw/zinc/46/50/93/624465093.db2.gz SKKPZOABKXKEHH-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO CCOc1cc(C[NH2+]C(C)(C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000786172875 624818693 /nfs/dbraw/zinc/81/86/93/624818693.db2.gz GUKYXHLEGJEQAH-UHFFFAOYSA-N 1 0 322.405 3.288 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1F ZINC000880319848 624916450 /nfs/dbraw/zinc/91/64/50/624916450.db2.gz LHCDNICWMFOAAI-LLVKDONJSA-N 1 0 307.350 3.180 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])CC(C)C ZINC000786579705 624925499 /nfs/dbraw/zinc/92/54/99/624925499.db2.gz CVUOANDQQHENAI-AWEZNQCLSA-N 1 0 308.426 3.345 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(F)n1 ZINC000786821082 624956769 /nfs/dbraw/zinc/95/67/69/624956769.db2.gz YECCRNGMVNWGKA-XYOKQWHBSA-N 1 0 301.321 3.322 20 5 DGBDRO COc1ccc(C[NH+]2CCC3(CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000880454123 624959675 /nfs/dbraw/zinc/95/96/75/624959675.db2.gz BRICSZHRFRLWMC-UHFFFAOYSA-N 1 0 320.389 3.139 20 5 DGBDRO CC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000880472046 624964021 /nfs/dbraw/zinc/96/40/21/624964021.db2.gz XWIDZHDJLQFCSJ-BMIGLBTASA-N 1 0 314.332 3.168 20 5 DGBDRO C[C@@H]([NH2+]CCc1c(F)cccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788549287 625214020 /nfs/dbraw/zinc/21/40/20/625214020.db2.gz VRDCVBHOKCPBDS-SNVBAGLBSA-N 1 0 321.327 3.349 20 5 DGBDRO C[C@H](NCC[N@H+](C)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562099 625216504 /nfs/dbraw/zinc/21/65/04/625216504.db2.gz FSWDVOZOIMGIOU-ZDUSSCGKSA-N 1 0 320.437 3.092 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C2COC(C)(C)OC2)c2cc([N+](=O)[O-])ccc21 ZINC000788599602 625224089 /nfs/dbraw/zinc/22/40/89/625224089.db2.gz GGLKXWUMCABNLY-HNNXBMFYSA-N 1 0 320.389 3.058 20 5 DGBDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788604032 625224832 /nfs/dbraw/zinc/22/48/32/625224832.db2.gz SNBVFGHIQIOSOC-LRDDRELGSA-N 1 0 309.410 3.015 20 5 DGBDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788604031 625225723 /nfs/dbraw/zinc/22/57/23/625225723.db2.gz SNBVFGHIQIOSOC-BLLLJJGKSA-N 1 0 309.410 3.015 20 5 DGBDRO C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788740843 625255523 /nfs/dbraw/zinc/25/55/23/625255523.db2.gz RICNWDRSDMDMMT-FRRDWIJNSA-N 1 0 307.394 3.033 20 5 DGBDRO COC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCCCC1 ZINC000788752629 625258452 /nfs/dbraw/zinc/25/84/52/625258452.db2.gz GKNUBXBZPYQSNI-LBPRGKRZSA-N 1 0 307.394 3.177 20 5 DGBDRO CC(=O)c1c(NC2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000882471972 625735696 /nfs/dbraw/zinc/73/56/96/625735696.db2.gz JMJJNFJOBURFQQ-UHFFFAOYSA-N 1 0 305.378 3.082 20 5 DGBDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000796492888 626056062 /nfs/dbraw/zinc/05/60/62/626056062.db2.gz YXGWGXGFSFDEOR-KSSFIOAISA-N 1 0 314.385 3.423 20 5 DGBDRO Cc1ccc(N2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000798404347 626216210 /nfs/dbraw/zinc/21/62/10/626216210.db2.gz IWILEVDOGPHHHA-UHFFFAOYSA-N 1 0 303.406 3.215 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(F)c1 ZINC000798965515 626263955 /nfs/dbraw/zinc/26/39/55/626263955.db2.gz UCZOVAWHGNLFRG-CYBMUJFWSA-N 1 0 301.321 3.118 20 5 DGBDRO CC(C)COCCN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000800353542 626353378 /nfs/dbraw/zinc/35/33/78/626353378.db2.gz YDMLTSMIUUWWSN-UHFFFAOYSA-N 1 0 300.786 3.353 20 5 DGBDRO Cc1cc(N(C)C)nc(NCc2ccc(Cl)c([N+](=O)[O-])c2)[nH+]1 ZINC000800722995 626372465 /nfs/dbraw/zinc/37/24/65/626372465.db2.gz GYGWOMJKMWFLMA-UHFFFAOYSA-N 1 0 321.768 3.025 20 5 DGBDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801525532 626407814 /nfs/dbraw/zinc/40/78/14/626407814.db2.gz VUFKHVVFVDHPID-SJKOYZFVSA-N 1 0 324.396 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1F ZINC000801535189 626408592 /nfs/dbraw/zinc/40/85/92/626408592.db2.gz GNEPEISTKBGXSP-OAHLLOKOSA-N 1 0 308.353 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)cc1F ZINC000801539698 626409052 /nfs/dbraw/zinc/40/90/52/626409052.db2.gz NCCSZNNMBBULKC-MRXNPFEDSA-N 1 0 301.321 3.370 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000883271768 626631020 /nfs/dbraw/zinc/63/10/20/626631020.db2.gz VVERCBCODVQDBQ-SRABZTEZSA-N 1 0 318.417 3.321 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](COC)C2)cc1[N+](=O)[O-] ZINC000883320782 626646704 /nfs/dbraw/zinc/64/67/04/626646704.db2.gz VSCOYASVPKDMTN-SGMGOOAPSA-N 1 0 308.378 3.069 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCOC1 ZINC000883352521 626657244 /nfs/dbraw/zinc/65/72/44/626657244.db2.gz CJJVMEGGQSHUFY-XEZPLFJOSA-N 1 0 322.405 3.459 20 5 DGBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883352694 626657300 /nfs/dbraw/zinc/65/73/00/626657300.db2.gz GNGKPDYFXMJLOY-RTWZZBQXSA-N 1 0 304.390 3.403 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000883352433 626657310 /nfs/dbraw/zinc/65/73/10/626657310.db2.gz ASEOLAOZFGVYPM-LNSITVRQSA-N 1 0 307.394 3.033 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000883357417 626659766 /nfs/dbraw/zinc/65/97/66/626659766.db2.gz KVSANBLKPPWBLA-NWDGAFQWSA-N 1 0 308.353 3.486 20 5 DGBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCC[NH2+]C1CCCCC1 ZINC000804342001 626671301 /nfs/dbraw/zinc/67/13/01/626671301.db2.gz DHWBVMNGXGREHL-UHFFFAOYSA-N 1 0 322.365 3.227 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000804349173 626672251 /nfs/dbraw/zinc/67/22/51/626672251.db2.gz JTZIGEIIYXECBY-OLZOCXBDSA-N 1 0 319.405 3.330 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000804356679 626672996 /nfs/dbraw/zinc/67/29/96/626672996.db2.gz MMOXEUVURGDMGV-CYBMUJFWSA-N 1 0 309.797 3.313 20 5 DGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804442792 626680361 /nfs/dbraw/zinc/68/03/61/626680361.db2.gz NUKHTPKIOCBTKR-RYUDHWBXSA-N 1 0 322.365 3.178 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000804543513 626691775 /nfs/dbraw/zinc/69/17/75/626691775.db2.gz BISLRSFBIHPNGG-CQSZACIVSA-N 1 0 319.405 3.187 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H](C)[NH+]1CCCCC1 ZINC000804613389 626697542 /nfs/dbraw/zinc/69/75/42/626697542.db2.gz RIVYUWPHTBEVNK-CYBMUJFWSA-N 1 0 319.405 3.474 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806143779 626701612 /nfs/dbraw/zinc/70/16/12/626701612.db2.gz PKYBHYWDCIBZCQ-CYBMUJFWSA-N 1 0 303.749 3.420 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000809351732 626905654 /nfs/dbraw/zinc/90/56/54/626905654.db2.gz KYIUQAXFEBCBPI-LBPRGKRZSA-N 1 0 311.332 3.207 20 5 DGBDRO Cc1[nH]c(C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)[nH+]c1C ZINC000884705639 626931487 /nfs/dbraw/zinc/93/14/87/626931487.db2.gz BTEWIZMZGLUXAK-UHFFFAOYSA-N 1 0 318.352 3.458 20 5 DGBDRO [NH3+]CCN(Cc1ccc2ncccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000809735113 626943430 /nfs/dbraw/zinc/94/34/30/626943430.db2.gz SRGLNMZMRRDIKY-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO [NH3+]CCN(Cc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000809736342 626943721 /nfs/dbraw/zinc/94/37/21/626943721.db2.gz PVWSTUWFTUYNDB-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO [NH3+]CCN(Cc1cccc(Cl)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000809736457 626943725 /nfs/dbraw/zinc/94/37/25/626943725.db2.gz VRUHOAKSQRGVEJ-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809757625 626948308 /nfs/dbraw/zinc/94/83/08/626948308.db2.gz QCFLIBGIJQQEJQ-OAHLLOKOSA-N 1 0 312.797 3.375 20 5 DGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767513 626949140 /nfs/dbraw/zinc/94/91/40/626949140.db2.gz NDUYGPDBLGRYNB-ZFWWWQNUSA-N 1 0 323.824 3.164 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)c1ccccc1 ZINC000809787192 626952949 /nfs/dbraw/zinc/95/29/49/626952949.db2.gz VSFLTGZTHYKZDH-ZBEGNZNMSA-N 1 0 320.776 3.460 20 5 DGBDRO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000809968232 626963272 /nfs/dbraw/zinc/96/32/72/626963272.db2.gz RMXMJDIPOMEKJU-SECBINFHSA-N 1 0 318.204 3.038 20 5 DGBDRO CC(C)[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810076338 626975109 /nfs/dbraw/zinc/97/51/09/626975109.db2.gz BPVSAKFAHRPRRJ-ZDUSSCGKSA-N 1 0 321.204 3.398 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000885968935 627072850 /nfs/dbraw/zinc/07/28/50/627072850.db2.gz FFVRDUWQWFXRAH-UKRRQHHQSA-N 1 0 308.378 3.041 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000885968934 627073026 /nfs/dbraw/zinc/07/30/26/627073026.db2.gz FFVRDUWQWFXRAH-HIFRSBDPSA-N 1 0 308.378 3.041 20 5 DGBDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000886010413 627082939 /nfs/dbraw/zinc/08/29/39/627082939.db2.gz ITSGULXTPSFDDM-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000886159956 627115538 /nfs/dbraw/zinc/11/55/38/627115538.db2.gz GRWMYSNAFHRZMK-RDJZCZTQSA-N 1 0 311.385 3.491 20 5 DGBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C12CCC2 ZINC000886280559 627130471 /nfs/dbraw/zinc/13/04/71/627130471.db2.gz GYGDZSXEQPZGLZ-UONOGXRCSA-N 1 0 319.405 3.206 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000886314080 627135592 /nfs/dbraw/zinc/13/55/92/627135592.db2.gz LQQPHVRBQBNUNG-GOSISDBHSA-N 1 0 309.369 3.080 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886703396 627194822 /nfs/dbraw/zinc/19/48/22/627194822.db2.gz UQVYZAYINFIBDR-JSGCOSHPSA-N 1 0 320.389 3.213 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000886703339 627195154 /nfs/dbraw/zinc/19/51/54/627195154.db2.gz SWMQXPWAOPTSKC-RYUDHWBXSA-N 1 0 308.353 3.344 20 5 DGBDRO Cc1c(C[NH+]2CCC(C(=O)OC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000886721669 627197395 /nfs/dbraw/zinc/19/73/95/627197395.db2.gz GRECKZMTTBOAKE-UHFFFAOYSA-N 1 0 320.389 3.067 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886830684 627209788 /nfs/dbraw/zinc/20/97/88/627209788.db2.gz WBSWWPXOEMLYPQ-XHDPSFHLSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886830913 627209796 /nfs/dbraw/zinc/20/97/96/627209796.db2.gz ZRENTOBWTZRLPA-NHYWBVRUSA-N 1 0 310.781 3.249 20 5 DGBDRO CC[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481712 627279863 /nfs/dbraw/zinc/27/98/63/627279863.db2.gz KTHOXHFUSWSZSL-JTQLQIEISA-N 1 0 307.177 3.152 20 5 DGBDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811480548 627279898 /nfs/dbraw/zinc/27/98/98/627279898.db2.gz XVSFQTUSAGSITA-UFBFGSQYSA-N 1 0 321.204 3.398 20 5 DGBDRO C[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC000811480434 627279910 /nfs/dbraw/zinc/27/99/10/627279910.db2.gz XVPAWRWMDVNMCZ-CYBMUJFWSA-N 1 0 319.188 3.418 20 5 DGBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811489021 627280513 /nfs/dbraw/zinc/28/05/13/627280513.db2.gz UBOPNBWPMZJJNR-SFYZADRCSA-N 1 0 307.177 3.151 20 5 DGBDRO CCC[C@H](C)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171959 627461506 /nfs/dbraw/zinc/46/15/06/627461506.db2.gz XXZMJWWHKXWLFN-BBRMVZONSA-N 1 0 320.389 3.149 20 5 DGBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCCCC[NH+]1CCCC1 ZINC000814919900 627607962 /nfs/dbraw/zinc/60/79/62/627607962.db2.gz UAUAOCSJJFZJKO-UHFFFAOYSA-N 1 0 322.365 3.181 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000924954224 627697125 /nfs/dbraw/zinc/69/71/25/627697125.db2.gz HYIZQCHSGASHRU-XJKSGUPXSA-N 1 0 322.405 3.024 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(O)cc(F)c1 ZINC000924955783 627697404 /nfs/dbraw/zinc/69/74/04/627697404.db2.gz QKBPSANNDOFZNI-LLVKDONJSA-N 1 0 304.321 3.333 20 5 DGBDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000925514532 627745302 /nfs/dbraw/zinc/74/53/02/627745302.db2.gz QOEPMOUSXYJBFZ-HIFRSBDPSA-N 1 0 312.797 3.399 20 5 DGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccnn1C1CCC1 ZINC000925641141 627767781 /nfs/dbraw/zinc/76/77/81/627767781.db2.gz KXWMWSQNMGYBGE-ZDUSSCGKSA-N 1 0 314.389 3.410 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCCCCC[NH+](C)C ZINC000817719073 627938566 /nfs/dbraw/zinc/93/85/66/627938566.db2.gz AFIGGOMVUNCAJJ-UHFFFAOYSA-N 1 0 308.378 3.100 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CCCO)cc1[N+](=O)[O-] ZINC000926797523 627956548 /nfs/dbraw/zinc/95/65/48/627956548.db2.gz TYZOBDNTQPDIFL-CVEARBPZSA-N 1 0 306.406 3.324 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926915205 627979765 /nfs/dbraw/zinc/97/97/65/627979765.db2.gz FIHPIEILVSGMPI-USXIJHARSA-N 1 0 302.374 3.131 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(C)CCCCO1 ZINC000927014650 627997466 /nfs/dbraw/zinc/99/74/66/627997466.db2.gz PJQACJJXQNQYME-MLGOLLRUSA-N 1 0 308.378 3.213 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCS1 ZINC000927025935 628000471 /nfs/dbraw/zinc/00/04/71/628000471.db2.gz DIERZVCPJQIOSW-MQYQWHSLSA-N 1 0 324.450 3.149 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1[N+](=O)[O-] ZINC000927056397 628004378 /nfs/dbraw/zinc/00/43/78/628004378.db2.gz UJQPQAHOXUZFAC-CUBALJKWSA-N 1 0 320.389 3.236 20 5 DGBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000927067037 628006931 /nfs/dbraw/zinc/00/69/31/628006931.db2.gz NNJWLLBMSVNDOQ-BLLLJJGKSA-N 1 0 302.378 3.376 20 5 DGBDRO Cc1ccc(NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000927071491 628008091 /nfs/dbraw/zinc/00/80/91/628008091.db2.gz DMCLZNHCODXREB-ZDUSSCGKSA-N 1 0 300.362 3.061 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000818355883 628017632 /nfs/dbraw/zinc/01/76/32/628017632.db2.gz KSJSZMJFRDTILV-ZWKOTPCHSA-N 1 0 315.417 3.342 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927120061 628020734 /nfs/dbraw/zinc/02/07/34/628020734.db2.gz QOZJUHTWPCDMLJ-AHIWAGSCSA-N 1 0 317.389 3.092 20 5 DGBDRO C[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927130001 628022803 /nfs/dbraw/zinc/02/28/03/628022803.db2.gz RIBLXAPAVZZNMZ-TZMCWYRMSA-N 1 0 319.405 3.319 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927158765 628028635 /nfs/dbraw/zinc/02/86/35/628028635.db2.gz JISVPIYLPJHUPF-LRDDRELGSA-N 1 0 322.380 3.356 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927159076 628028717 /nfs/dbraw/zinc/02/87/17/628028717.db2.gz KZJYPTIEVRRKTM-WBMJQRKESA-N 1 0 320.389 3.356 20 5 DGBDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819052803 628083892 /nfs/dbraw/zinc/08/38/92/628083892.db2.gz JWIZYQJWWCGKMJ-OCBCSQNSSA-N 1 0 312.369 3.151 20 5 DGBDRO Cc1ccc([C@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819089826 628090597 /nfs/dbraw/zinc/09/05/97/628090597.db2.gz UZPFKXVKFJMANF-RDTXWAMCSA-N 1 0 314.385 3.330 20 5 DGBDRO Cc1cc(C)cc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819094968 628091442 /nfs/dbraw/zinc/09/14/42/628091442.db2.gz PLLPLYFCVODFDH-SFHVURJKSA-N 1 0 314.385 3.077 20 5 DGBDRO Cc1cccc([C@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819097825 628091909 /nfs/dbraw/zinc/09/19/09/628091909.db2.gz OOWLHMYECGKBFN-RDTXWAMCSA-N 1 0 314.385 3.330 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000819108310 628093444 /nfs/dbraw/zinc/09/34/44/628093444.db2.gz CBOPSLBMZWKGEO-DPAVQSFQSA-N 1 0 304.390 3.187 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)CC2CCCC2)c1 ZINC000819150793 628101178 /nfs/dbraw/zinc/10/11/78/628101178.db2.gz RWPCCXXOUCRYAJ-AWEZNQCLSA-N 1 0 312.797 3.279 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000819283458 628126675 /nfs/dbraw/zinc/12/66/75/628126675.db2.gz SQVICTHULMXLHO-BQFCYCMXSA-N 1 0 312.369 3.164 20 5 DGBDRO C[C@@H]1[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)CC[N@@H+]1C ZINC000928458156 628152955 /nfs/dbraw/zinc/15/29/55/628152955.db2.gz RMPJJCIJLVTICW-ACJLOTCBSA-N 1 0 319.408 3.210 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC=C(c2ccccn2)C1 ZINC000821331634 628357273 /nfs/dbraw/zinc/35/72/73/628357273.db2.gz BJUOWTXMLNDZBI-UHFFFAOYSA-N 1 0 313.332 3.418 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3nonc3c2)cc1[N+](=O)[O-] ZINC000821402628 628364179 /nfs/dbraw/zinc/36/41/79/628364179.db2.gz WHEMYQOGPOIPAD-LLVKDONJSA-N 1 0 312.329 3.290 20 5 DGBDRO Cc1cc(-c2noc([C@H](C(C)C)[C@H](C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000823270344 628543949 /nfs/dbraw/zinc/54/39/49/628543949.db2.gz QBPSXWRGKHWRCM-GXFFZTMASA-N 1 0 304.350 3.040 20 5 DGBDRO Cc1c(-c2noc([C@H](C(C)C)[C@@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000823270214 628543952 /nfs/dbraw/zinc/54/39/52/628543952.db2.gz PHQJYNVNVPODFB-ZWNOBZJWSA-N 1 0 304.350 3.040 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@](C)(O)c1ccccc1 ZINC000823606003 628579092 /nfs/dbraw/zinc/57/90/92/628579092.db2.gz PCYOGSBXBBJNNQ-QGZVFWFLSA-N 1 0 318.348 3.073 20 5 DGBDRO O[C@@H]1COCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000824620122 628677747 /nfs/dbraw/zinc/67/77/47/628677747.db2.gz CSNBLDJJEWEJGO-KRWDZBQOSA-N 1 0 307.393 3.186 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1Cl ZINC000825133936 628731097 /nfs/dbraw/zinc/73/10/97/628731097.db2.gz QUWFXBKOGPFVMY-HNNXBMFYSA-N 1 0 310.781 3.251 20 5 DGBDRO CC1CCC(O)(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000827947800 629006715 /nfs/dbraw/zinc/00/67/15/629006715.db2.gz CNQIUYWXXJHHLW-UHFFFAOYSA-N 1 0 312.797 3.279 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000831307851 629360279 /nfs/dbraw/zinc/36/02/79/629360279.db2.gz GUZYCVIFISNXKL-LSDHHAIUSA-N 1 0 308.353 3.171 20 5 DGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000831359566 629367086 /nfs/dbraw/zinc/36/70/86/629367086.db2.gz XOINPUWBLQOPKL-HUUCEWRRSA-N 1 0 310.369 3.416 20 5 DGBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000832204873 629450223 /nfs/dbraw/zinc/45/02/23/629450223.db2.gz UHYVIGOTMGSCDY-CABCVRRESA-N 1 0 308.353 3.123 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]C[C@H]1CNCCO1 ZINC000841099496 630408068 /nfs/dbraw/zinc/40/80/68/630408068.db2.gz SKBKAOHETYYYEU-QGZVFWFLSA-N 1 0 306.409 3.071 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1ccco1)CCCC2 ZINC000841744441 630461178 /nfs/dbraw/zinc/46/11/78/630461178.db2.gz NWVMJNNEFHRJDO-JKSUJKDBSA-N 1 0 316.357 3.279 20 5 DGBDRO CO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)C ZINC000841888587 630473004 /nfs/dbraw/zinc/47/30/04/630473004.db2.gz MNHQKWWWFFNGPX-ZDUSSCGKSA-N 1 0 300.786 3.399 20 5 DGBDRO CC(C)c1ccc(-c2nc(C3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000843139249 630619472 /nfs/dbraw/zinc/61/94/72/630619472.db2.gz CSNFDXFCPILYEY-UHFFFAOYSA-N 1 0 316.361 3.235 20 5 DGBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843427656 630657722 /nfs/dbraw/zinc/65/77/22/630657722.db2.gz SWSFXVFAVAUVBH-PWSUYJOCSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(OCc2ccc3c(c2)C[NH2+]CC3)c(F)c1F ZINC000844301059 630717090 /nfs/dbraw/zinc/71/70/90/630717090.db2.gz PUNUNMMTHBMLJQ-UHFFFAOYSA-N 1 0 320.295 3.098 20 5 DGBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844374128 630722413 /nfs/dbraw/zinc/72/24/13/630722413.db2.gz CWRGABKTYVAPBR-GXFFZTMASA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440162 630730332 /nfs/dbraw/zinc/73/03/32/630730332.db2.gz QSMYDDUSOLUYRB-CQSZACIVSA-N 1 0 312.316 3.095 20 5 DGBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@](C)(O)c1ccccc1 ZINC000846034506 631207285 /nfs/dbraw/zinc/20/72/85/631207285.db2.gz AALHZZDBYUJSMW-NHYWBVRUSA-N 1 0 306.387 3.042 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@](C)(O)c1ccccc1 ZINC000846040468 631207737 /nfs/dbraw/zinc/20/77/37/631207737.db2.gz XJUXLTIELRWNEV-PXAZEXFGSA-N 1 0 318.348 3.120 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CSCCS1 ZINC000848530750 631680133 /nfs/dbraw/zinc/68/01/33/631680133.db2.gz FXBNOWXDEBXOLP-GWCFXTLKSA-N 1 0 310.444 3.020 20 5 DGBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848533974 631682093 /nfs/dbraw/zinc/68/20/93/631682093.db2.gz WSWWQJVPNNUZCJ-XFJVYGCCSA-N 1 0 316.357 3.277 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848783984 631748048 /nfs/dbraw/zinc/74/80/48/631748048.db2.gz JLZRCSQCKDFWDP-HIFRSBDPSA-N 1 0 323.368 3.171 20 5 DGBDRO CC(C)N(Cc1cnc(Cl)n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000848880900 631768212 /nfs/dbraw/zinc/76/82/12/631768212.db2.gz JGGXSSJXXMGZGT-UHFFFAOYSA-N 1 0 322.796 3.392 20 5 DGBDRO CCC(O)(CC)C(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850500323 632172575 /nfs/dbraw/zinc/17/25/75/632172575.db2.gz CNIASUWSOTTWHD-LBPRGKRZSA-N 1 0 323.437 3.405 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850527959 632181564 /nfs/dbraw/zinc/18/15/64/632181564.db2.gz ZSVDHWCSGXDXRK-JZXOWHBKSA-N 1 0 310.353 3.350 20 5 DGBDRO CO[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000851791274 632494310 /nfs/dbraw/zinc/49/43/10/632494310.db2.gz WKKIQVNMWSSLON-RHSMWYFYSA-N 1 0 320.389 3.006 20 5 DGBDRO Cc1noc(CN2CC[C@@H](c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000851944310 632527350 /nfs/dbraw/zinc/52/73/50/632527350.db2.gz LBCYMLNINOBTEV-SNVBAGLBSA-N 1 0 323.299 3.159 20 5 DGBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852422619 632601671 /nfs/dbraw/zinc/60/16/71/632601671.db2.gz GJXOOBZUOLHDIX-XHDPSFHLSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1CCO ZINC000852458144 632605949 /nfs/dbraw/zinc/60/59/49/632605949.db2.gz BMYDAVKIWORVBH-FZMZJTMJSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(O)CCCCCC1 ZINC000084440173 660344682 /nfs/dbraw/zinc/34/46/82/660344682.db2.gz MVNHTMLGPRTVKD-UHFFFAOYSA-N 1 0 312.797 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCCC[C@@H]2CCO)ccc1Cl ZINC000792927627 660994705 /nfs/dbraw/zinc/99/47/05/660994705.db2.gz PYSMCYDCXAACIX-CYBMUJFWSA-N 1 0 312.797 3.375 20 5 DGBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000793042376 661001500 /nfs/dbraw/zinc/00/15/00/661001500.db2.gz MSRAZNAPOGTWCC-BFYDXBDKSA-N 1 0 306.406 3.433 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@@H]2CCO)cc1Cl ZINC000793610706 661049882 /nfs/dbraw/zinc/04/98/82/661049882.db2.gz WOYGYOURPRKDOV-CYBMUJFWSA-N 1 0 312.797 3.375 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000794614007 661094285 /nfs/dbraw/zinc/09/42/85/661094285.db2.gz QHRDJRAUISMSSR-ZWKOTPCHSA-N 1 0 314.385 3.443 20 5 DGBDRO CCC(=O)c1ccc(N2CC[C@@H]([NH+](CC)CC)C2)c([N+](=O)[O-])c1 ZINC000795103956 661127067 /nfs/dbraw/zinc/12/70/67/661127067.db2.gz ZPJZHLUTXASFOE-CQSZACIVSA-N 1 0 319.405 3.108 20 5 DGBDRO C[C@H]1COC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000932492004 655577448 /nfs/dbraw/zinc/57/74/48/655577448.db2.gz NXMFHTJKKPXRBT-WRWORJQWSA-N 1 0 305.161 3.026 20 5 DGBDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000795594549 661162433 /nfs/dbraw/zinc/16/24/33/661162433.db2.gz JMZUEOFITXVQMM-UHFFFAOYSA-N 1 0 311.769 3.061 20 5 DGBDRO C[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000049963808 655628490 /nfs/dbraw/zinc/62/84/90/655628490.db2.gz JVBDZWVXHNVQNZ-GFCCVEGCSA-N 1 0 311.813 3.212 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000933878576 655737328 /nfs/dbraw/zinc/73/73/28/655737328.db2.gz WVDBHVQSZSMRBP-HNNXBMFYSA-N 1 0 308.353 3.315 20 5 DGBDRO CC(C)CCOCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439989 655752977 /nfs/dbraw/zinc/75/29/77/655752977.db2.gz WPYOYRCDQVMDKO-UHFFFAOYSA-N 1 0 300.786 3.401 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)cc1[N+](=O)[O-] ZINC000509446690 661187957 /nfs/dbraw/zinc/18/79/57/661187957.db2.gz IVQWHBUADVPNGA-MRXNPFEDSA-N 1 0 312.369 3.387 20 5 DGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(Cl)cc1 ZINC000046599839 655833483 /nfs/dbraw/zinc/83/34/83/655833483.db2.gz VJWCMFKPQZGKIF-INIZCTEOSA-N 1 0 320.776 3.414 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]CC3CC3)CC2)cc1Cl ZINC000261949789 657250384 /nfs/dbraw/zinc/25/03/84/657250384.db2.gz NVEGGFHINOAGMG-UHFFFAOYSA-N 1 0 323.824 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]CC3CC3)CC2)c(Cl)c1 ZINC000262063764 657304761 /nfs/dbraw/zinc/30/47/61/657304761.db2.gz FFLLEIFYHPSMMH-UHFFFAOYSA-N 1 0 323.824 3.212 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1O ZINC000897683618 658483463 /nfs/dbraw/zinc/48/34/63/658483463.db2.gz FQDSMPXFPXCDET-IAQYHMDHSA-N 1 0 318.398 3.136 20 5 DGBDRO COCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)C ZINC000042368997 658770218 /nfs/dbraw/zinc/77/02/18/658770218.db2.gz UDOXNEJZVIHTBZ-UHFFFAOYSA-N 1 0 300.786 3.353 20 5 DGBDRO CCC[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000057104967 659003653 /nfs/dbraw/zinc/00/36/53/659003653.db2.gz NCNJSEJUOXGPDC-MRXNPFEDSA-N 1 0 314.389 3.018 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000172580556 659345651 /nfs/dbraw/zinc/34/56/51/659345651.db2.gz SFTPWSZTQDPALS-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO C[NH+](C)C1(C)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000931350905 661469492 /nfs/dbraw/zinc/46/94/92/661469492.db2.gz CCQDKNVJMQZUPQ-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1[N+](=O)[O-] ZINC000931617031 661493329 /nfs/dbraw/zinc/49/33/29/661493329.db2.gz IMMDDGPZWJGAAE-NRUUGDAUSA-N 1 0 318.295 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933078792 661616617 /nfs/dbraw/zinc/61/66/17/661616617.db2.gz RCFGJCFXQCRXEU-AWEZNQCLSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933879274 661664832 /nfs/dbraw/zinc/66/48/32/661664832.db2.gz PMCGTHQASKXSJU-OAHLLOKOSA-N 1 0 308.353 3.315 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934333571 661697950 /nfs/dbraw/zinc/69/79/50/661697950.db2.gz WZTWJHDFFBEPLS-LLVKDONJSA-N 1 0 321.377 3.255 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1[N+](=O)[O-] ZINC000934330736 661697972 /nfs/dbraw/zinc/69/79/72/661697972.db2.gz IUKFKLCUTJEXQN-AWEZNQCLSA-N 1 0 317.414 3.424 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCOC23CCCC3)c(F)c1 ZINC000934387498 661703629 /nfs/dbraw/zinc/70/36/29/661703629.db2.gz CDFVSTNQLSLKSR-AWEZNQCLSA-N 1 0 312.316 3.064 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000934397372 661704683 /nfs/dbraw/zinc/70/46/83/661704683.db2.gz XIURYLBZQNKAQN-AWEZNQCLSA-N 1 0 310.781 3.440 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](c3ccncc3)C3CC3)nc2c1 ZINC000934700108 661727481 /nfs/dbraw/zinc/72/74/81/661727481.db2.gz ZQZPBULQHSTHHC-QGZVFWFLSA-N 1 0 323.356 3.107 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934834323 661738298 /nfs/dbraw/zinc/73/82/98/661738298.db2.gz QAJFYGIIKTUQFX-HOCLYGCPSA-N 1 0 304.390 3.233 20 5 DGBDRO CC(C)C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246316446 662253590 /nfs/dbraw/zinc/25/35/90/662253590.db2.gz RIBKHASDUDZQGX-WMLDXEAASA-N 1 0 306.406 3.386 20 5 DGBDRO C[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000038028869 662271139 /nfs/dbraw/zinc/27/11/39/662271139.db2.gz WFVKEQJGAZIXQU-GFCCVEGCSA-N 1 0 311.813 3.212 20 5 DGBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576689976 1191862746 /nfs/dbraw/zinc/86/27/46/1191862746.db2.gz GGWOYFXZUHSXQY-IAQYHMDHSA-N 1 0 311.813 3.245 20 5 DGBDRO CN(CCCCCC[NH3+])c1ccc2cnccc2c1[N+](=O)[O-] ZINC001578465886 1191944764 /nfs/dbraw/zinc/94/47/64/1191944764.db2.gz TYLVHBVSZARXKS-UHFFFAOYSA-N 1 0 302.378 3.098 20 5 DGBDRO C[C@@H]1C[NH2+]C[C@H]1Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001579467164 1191977218 /nfs/dbraw/zinc/97/72/18/1191977218.db2.gz KAATVFBNUYQRCT-LHLIQPBNSA-N 1 0 323.702 3.287 20 5 DGBDRO [NH3+][C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C12CCC2 ZINC001580165550 1192011296 /nfs/dbraw/zinc/01/12/96/1192011296.db2.gz MCJYNISMNBTDNC-CABCVRRESA-N 1 0 324.384 3.339 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC001620591919 1192021862 /nfs/dbraw/zinc/02/18/62/1192021862.db2.gz UTEJALPBRIJQBZ-MCIONIFRSA-N 1 0 319.405 3.290 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)CCC(C)(C)C ZINC001620915036 1192596706 /nfs/dbraw/zinc/59/67/06/1192596706.db2.gz OQWFFBYURZNBPM-CQSZACIVSA-N 1 0 324.421 3.270 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001332198363 1178389233 /nfs/dbraw/zinc/38/92/33/1178389233.db2.gz WDCJWYFOIJZDQC-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N(C)C)cc1[N+](=O)[O-] ZINC001333478270 1178611580 /nfs/dbraw/zinc/61/15/80/1178611580.db2.gz LCPAARJNDXDRKT-IMJJTQAJSA-N 1 0 305.422 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@H](CF)C3)c2)cc1 ZINC001333807116 1178677659 /nfs/dbraw/zinc/67/76/59/1178677659.db2.gz OCHBJISJGNEVRB-CYBMUJFWSA-N 1 0 318.352 3.097 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC001333861621 1178685951 /nfs/dbraw/zinc/68/59/51/1178685951.db2.gz TWYWPSWJKVBGPO-LBPRGKRZSA-N 1 0 312.373 3.039 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001334955793 1178834246 /nfs/dbraw/zinc/83/42/46/1178834246.db2.gz IDILAYFIDHTVDO-HZMBPMFUSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(Br)c(C[NH2+]C2(C3CC3)CC2)c1 ZINC001335763997 1178951292 /nfs/dbraw/zinc/95/12/92/1178951292.db2.gz LXGJDPFDPCIUTE-UHFFFAOYSA-N 1 0 311.179 3.390 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001344113413 1179380780 /nfs/dbraw/zinc/38/07/80/1179380780.db2.gz NGTJXZUQFREZQN-QGZVFWFLSA-N 1 0 303.406 3.173 20 5 DGBDRO COC1(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC001349626635 1179923865 /nfs/dbraw/zinc/92/38/65/1179923865.db2.gz RXIHZIHVDLNIEM-UHFFFAOYSA-N 1 0 318.295 3.272 20 5 DGBDRO CC(C)([NH3+])CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC001353126288 1180469800 /nfs/dbraw/zinc/46/98/00/1180469800.db2.gz LKMFOQOZSGIWFU-UHFFFAOYSA-N 1 0 307.397 3.245 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c1 ZINC001200715358 1180848681 /nfs/dbraw/zinc/84/86/81/1180848681.db2.gz YHOBITKXBZKLCR-CQSZACIVSA-N 1 0 324.739 3.211 20 5 DGBDRO COc1cc(CN(C)Cc2cccc([N+](=O)[O-])c2C)sn1 ZINC001473829017 1181581297 /nfs/dbraw/zinc/58/12/97/1181581297.db2.gz ZMVMZBTUQOSIOS-UHFFFAOYSA-N 1 0 307.375 3.000 20 5 DGBDRO COC[C@@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC001459794719 1182616402 /nfs/dbraw/zinc/61/64/02/1182616402.db2.gz FXNDMMPQHDJIGG-OAHLLOKOSA-N 1 0 306.406 3.478 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC001459860377 1182624247 /nfs/dbraw/zinc/62/42/47/1182624247.db2.gz NWRJQSIDXHRBPE-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC(C)(C)CO1 ZINC001460008362 1182640348 /nfs/dbraw/zinc/64/03/48/1182640348.db2.gz URGUQEVEWNWVGR-MRXNPFEDSA-N 1 0 306.406 3.274 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC001460609679 1182698916 /nfs/dbraw/zinc/69/89/16/1182698916.db2.gz ONGNMBFZCJIPKM-QGZVFWFLSA-N 1 0 316.405 3.395 20 5 DGBDRO Cc1c(C[NH2+]CC(C)(C)N2CCCCC2)cccc1[N+](=O)[O-] ZINC001461001493 1182753223 /nfs/dbraw/zinc/75/32/23/1182753223.db2.gz WZZPKVLNQDRIPC-UHFFFAOYSA-N 1 0 305.422 3.257 20 5 DGBDRO COCc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC001461379560 1182803009 /nfs/dbraw/zinc/80/30/09/1182803009.db2.gz VIJBPPUSCCTJMC-UHFFFAOYSA-N 1 0 316.357 3.040 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC001461485176 1182818709 /nfs/dbraw/zinc/81/87/09/1182818709.db2.gz JFRAQWPPKWDPLP-INIZCTEOSA-N 1 0 305.422 3.113 20 5 DGBDRO CCOC(OCC)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001462685586 1182985730 /nfs/dbraw/zinc/98/57/30/1182985730.db2.gz IMOUPBKSJKKUOT-SNVBAGLBSA-N 1 0 316.785 3.125 20 5 DGBDRO C[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)C[NH+]1CCCC1 ZINC001472662575 1183663054 /nfs/dbraw/zinc/66/30/54/1183663054.db2.gz ATZHLLOWELVWAK-CYBMUJFWSA-N 1 0 318.421 3.012 20 5 DGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001472668752 1183664229 /nfs/dbraw/zinc/66/42/29/1183664229.db2.gz XJBOZKKATWSJSK-NEPJUHHUSA-N 1 0 317.393 3.003 20 5 DGBDRO CCNc1cc(CNc2ncc(Cl)cc2[N+](=O)[O-])ccn1 ZINC001472847926 1183689741 /nfs/dbraw/zinc/68/97/41/1183689741.db2.gz RKKYFURXIITWET-UHFFFAOYSA-N 1 0 307.741 3.082 20 5 DGBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC1CCCCC1 ZINC001473120005 1183716808 /nfs/dbraw/zinc/71/68/08/1183716808.db2.gz CZYFFSYQVLNMQP-UHFFFAOYSA-N 1 0 308.426 3.392 20 5 DGBDRO CCCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473523086 1183769104 /nfs/dbraw/zinc/76/91/04/1183769104.db2.gz FYEGFVAEOMRKEC-CYBMUJFWSA-N 1 0 307.394 3.434 20 5 DGBDRO CC(C)(C)C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC001473542311 1183772228 /nfs/dbraw/zinc/77/22/28/1183772228.db2.gz QKZKKGSIJXGKKS-ZDUSSCGKSA-N 1 0 308.426 3.328 20 5 DGBDRO CCC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC001473591097 1183777886 /nfs/dbraw/zinc/77/78/86/1183777886.db2.gz OCZDOEDSIZCITI-UHFFFAOYSA-N 1 0 313.785 3.307 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCOC23CCCCC3)cc1 ZINC001473856927 1183812715 /nfs/dbraw/zinc/81/27/15/1183812715.db2.gz XDFNIYANCTYPSZ-MRXNPFEDSA-N 1 0 320.389 3.055 20 5 DGBDRO CCCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001473940283 1183833691 /nfs/dbraw/zinc/83/36/91/1183833691.db2.gz WEANYPJFLSRVKW-GFCCVEGCSA-N 1 0 302.378 3.361 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001474029734 1183854028 /nfs/dbraw/zinc/85/40/28/1183854028.db2.gz XXFPIEJSYZFDFO-GJZGRUSLSA-N 1 0 305.422 3.174 20 5 DGBDRO Cc1cc(C)c(/C=C/C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1C ZINC001474054994 1183859477 /nfs/dbraw/zinc/85/94/77/1183859477.db2.gz WMKGBICTVOEXTF-SNAWJCMRSA-N 1 0 314.389 3.020 20 5 DGBDRO COc1ccccc1/C=C\C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001474098141 1183865792 /nfs/dbraw/zinc/86/57/92/1183865792.db2.gz CKDCMHNTMUGFBN-YVMONPNESA-N 1 0 312.369 3.449 20 5 DGBDRO CO[C@](C)(CO)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001474195423 1183881763 /nfs/dbraw/zinc/88/17/63/1183881763.db2.gz VSNUGDDECOTHEP-FQEVSTJZSA-N 1 0 309.409 3.480 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C2(C)C(C)(C)C2(C)C)c1[N+](=O)[O-] ZINC001474739367 1183971235 /nfs/dbraw/zinc/97/12/35/1183971235.db2.gz RWQJOZLVMGMNCY-UHFFFAOYSA-N 1 0 308.378 3.223 20 5 DGBDRO C[NH+](C)CCN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001612073943 1193446381 /nfs/dbraw/zinc/44/63/81/1193446381.db2.gz SSQGZJLLQDXPMZ-UHFFFAOYSA-N 1 0 313.401 3.206 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001517709889 1186818831 /nfs/dbraw/zinc/81/88/31/1186818831.db2.gz UEQWPWZFPYIWHI-ZDUSSCGKSA-N 1 0 322.409 3.145 20 5 DGBDRO CC[C@H](OC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001520682295 1186960633 /nfs/dbraw/zinc/96/06/33/1186960633.db2.gz ZOLCXODVLDCQCR-NOLJZWGESA-N 1 0 320.389 3.319 20 5 DGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001612607427 1193457398 /nfs/dbraw/zinc/45/73/98/1193457398.db2.gz QGAICMNZKCGODJ-NSHDSACASA-N 1 0 312.801 3.176 20 5 DGBDRO O=[N+]([O-])c1ccc(NCc2ccc(Nc3cc[nH+]cc3)cc2)cn1 ZINC001612667422 1193459073 /nfs/dbraw/zinc/45/90/73/1193459073.db2.gz SFJBDCGBHSUCLH-UHFFFAOYSA-N 1 0 321.340 3.162 20 5 DGBDRO C[C@H](c1ccccc1)[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC001616441969 1193539452 /nfs/dbraw/zinc/53/94/52/1193539452.db2.gz QXETYURMVNJVFG-OAHLLOKOSA-N 1 0 314.385 3.193 20 5 DGBDRO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001617358647 1193566639 /nfs/dbraw/zinc/56/66/39/1193566639.db2.gz BQDIMXICYRYNHM-RWMBFGLXSA-N 1 0 305.378 3.042 20 5 DGBDRO Cc1ccc(CN2CCOCC23CCCCC3)cc1[N+](=O)[O-] ZINC001617947302 1193587022 /nfs/dbraw/zinc/58/70/22/1193587022.db2.gz KHLOGGVDYIIIII-UHFFFAOYSA-N 1 0 304.390 3.438 20 5 DGBDRO Cc1nc(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC001559067809 1189167857 /nfs/dbraw/zinc/16/78/57/1189167857.db2.gz ROXJRQBOSYDSEO-INIZCTEOSA-N 1 0 320.437 3.467 20 5 DGBDRO CN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001559176550 1189177827 /nfs/dbraw/zinc/17/78/27/1189177827.db2.gz ITHBREPFMDAVFH-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC001559485469 1189209650 /nfs/dbraw/zinc/20/96/50/1189209650.db2.gz IJVCWGWSSHNJBA-UHFFFAOYSA-N 1 0 322.796 3.275 20 5 DGBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC001559673443 1189229388 /nfs/dbraw/zinc/22/93/88/1189229388.db2.gz KCUFRZSSUMESNA-XYPHTWIQSA-N 1 0 304.390 3.484 20 5 DGBDRO CCC1(CC)[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC001559811703 1189245680 /nfs/dbraw/zinc/24/56/80/1189245680.db2.gz NTHXSNIFBUAKCL-HOTGVXAUSA-N 1 0 322.405 3.157 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC001560121383 1189281050 /nfs/dbraw/zinc/28/10/50/1189281050.db2.gz DFPIDLNVIQHNPG-KRWDZBQOSA-N 1 0 316.332 3.387 20 5 DGBDRO C[C@]12C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001560185022 1189288518 /nfs/dbraw/zinc/28/85/18/1189288518.db2.gz LLHYXOOSNWQARW-MAQMMGONSA-N 1 0 302.349 3.378 20 5 DGBDRO COc1cc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)c([N+](=O)[O-])cc1O ZINC001560359324 1189318630 /nfs/dbraw/zinc/31/86/30/1189318630.db2.gz IXBFOIBFVNCEFM-KBPBESRZSA-N 1 0 320.389 3.367 20 5 DGBDRO Cc1cc(C)c(/C=C\C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC001560383260 1189321037 /nfs/dbraw/zinc/32/10/37/1189321037.db2.gz UFBPGMYLHOZIRY-PLNGDYQASA-N 1 0 314.389 3.020 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC001560433831 1189328303 /nfs/dbraw/zinc/32/83/03/1189328303.db2.gz AFUYXAFOLIIXRP-NTZNESFSSA-N 1 0 308.378 3.223 20 5 DGBDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C2 ZINC001560493067 1189333379 /nfs/dbraw/zinc/33/33/79/1189333379.db2.gz PUVDMGIXVIEYDD-INIZCTEOSA-N 1 0 312.369 3.305 20 5 DGBDRO [NH3+]CCN(C[C@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001560809232 1189385172 /nfs/dbraw/zinc/38/51/72/1189385172.db2.gz DFMJLPOCORECTD-OAHLLOKOSA-N 1 0 311.385 3.090 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001563388004 1189511285 /nfs/dbraw/zinc/51/12/85/1189511285.db2.gz HBNWLWYZFTYGQC-ZDUSSCGKSA-N 1 0 322.409 3.145 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC001620655124 1193786730 /nfs/dbraw/zinc/78/67/30/1193786730.db2.gz YQEQLWKGEHVHAF-SJORKVTESA-N 1 0 318.417 3.276 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC001620655122 1193787228 /nfs/dbraw/zinc/78/72/28/1193787228.db2.gz YQEQLWKGEHVHAF-IAGOWNOFSA-N 1 0 318.417 3.276 20 5 DGBDRO CCc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001621288877 1193827692 /nfs/dbraw/zinc/82/76/92/1193827692.db2.gz XFKFFNGPJADPLD-UHFFFAOYSA-N 1 0 310.357 3.323 20 5 DGBDRO [NH3+]CCc1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000052899319 1194705192 /nfs/dbraw/zinc/70/51/92/1194705192.db2.gz XYMICPAJCYLEFG-UHFFFAOYSA-N 1 0 305.765 3.362 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001639406386 1194763653 /nfs/dbraw/zinc/76/36/53/1194763653.db2.gz BPWRTNOSZAMFSN-SNVBAGLBSA-N 1 0 315.801 3.399 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC001640154487 1194799455 /nfs/dbraw/zinc/79/94/55/1194799455.db2.gz GSECVNLRDXEKQH-QWHCGFSZSA-N 1 0 311.332 3.158 20 5 DGBDRO O=[N+]([O-])c1cnc(NCc2ccc3c[nH+]cn3c2)c2ccccc21 ZINC001642775566 1194937873 /nfs/dbraw/zinc/93/78/73/1194937873.db2.gz SKGLUMMUSYTNFD-UHFFFAOYSA-N 1 0 319.324 3.403 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC001642786983 1194938759 /nfs/dbraw/zinc/93/87/59/1194938759.db2.gz JZICAHNKDVTEGM-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO Nc1cc(CCCCNc2c(F)cccc2[N+](=O)[O-])cc[nH+]1 ZINC001643237446 1195007297 /nfs/dbraw/zinc/00/72/97/1195007297.db2.gz JVNIGXCTMDKNMD-UHFFFAOYSA-N 1 0 304.325 3.146 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC001643502585 1195030233 /nfs/dbraw/zinc/03/02/33/1195030233.db2.gz ZMISMDCBUKABLX-MRXNPFEDSA-N 1 0 306.431 3.355 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC001643914891 1195063903 /nfs/dbraw/zinc/06/39/03/1195063903.db2.gz GELJHCXUJGKIFI-HNNXBMFYSA-N 1 0 306.410 3.144 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001644507473 1195114218 /nfs/dbraw/zinc/11/42/18/1195114218.db2.gz IKLFQOGSKORTQV-DGCLKSJQSA-N 1 0 314.389 3.382 20 5 DGBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001645714230 1195198649 /nfs/dbraw/zinc/19/86/49/1195198649.db2.gz WXPCCFONKZXWPV-WBVHZDCISA-N 1 0 322.405 3.157 20 5 DGBDRO CO[C@]1(C)C[C@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001645714227 1195198666 /nfs/dbraw/zinc/19/86/66/1195198666.db2.gz WXPCCFONKZXWPV-DOTOQJQBSA-N 1 0 322.405 3.157 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(C3CC3)CC2)cc1 ZINC001646031644 1195211373 /nfs/dbraw/zinc/21/13/73/1195211373.db2.gz GPANNOFCEPSAEU-UHFFFAOYSA-N 1 0 304.390 3.486 20 5 DGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1occc1C ZINC001646235293 1195218397 /nfs/dbraw/zinc/21/83/97/1195218397.db2.gz VMSUVEXNAZVBCI-UHFFFAOYSA-N 1 0 304.346 3.397 20 5 DGBDRO C[C@@](CO)([NH2+]CC1CCC2(CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001648020201 1195271613 /nfs/dbraw/zinc/27/16/13/1195271613.db2.gz PIUPWKJGFFELMB-KRWDZBQOSA-N 1 0 318.417 3.362 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001648442330 1195301319 /nfs/dbraw/zinc/30/13/19/1195301319.db2.gz GYZCFGVNLXOQRP-ZIAGYGMSSA-N 1 0 312.373 3.244 20 5 DGBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001650616943 1195365195 /nfs/dbraw/zinc/36/51/95/1195365195.db2.gz OWWJAJZOEYDXHS-INIZCTEOSA-N 1 0 318.373 3.351 20 5 DGBDRO Cc1c(C[NH2+]C[C@@](C)(O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC001650946753 1195398253 /nfs/dbraw/zinc/39/82/53/1195398253.db2.gz HRMVCOPWSOBMCI-QGZVFWFLSA-N 1 0 306.406 3.324 20 5 DGBDRO Cc1cc(N2CC[N@@H+](C)C3(CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC001651079203 1195411209 /nfs/dbraw/zinc/41/12/09/1195411209.db2.gz IQDZXNMXXKSVBK-UHFFFAOYSA-N 1 0 321.396 3.497 20 5 DGBDRO CC(C)[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC001651344379 1195446180 /nfs/dbraw/zinc/44/61/80/1195446180.db2.gz AORBKAWPKWDAOX-CQSZACIVSA-N 1 0 313.348 3.405 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1(C)C ZINC001651972626 1195530114 /nfs/dbraw/zinc/53/01/14/1195530114.db2.gz HKVRLHSAJGFIDO-LSDHHAIUSA-N 1 0 314.389 3.284 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2c1OCC2 ZINC001652446562 1195598394 /nfs/dbraw/zinc/59/83/94/1195598394.db2.gz ODWOLROYFCLQNR-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO C[C@@H](Cc1cccs1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001652665622 1195633692 /nfs/dbraw/zinc/63/36/92/1195633692.db2.gz OGUDSUKGTGVDJC-BLLLJJGKSA-N 1 0 320.414 3.253 20 5 DGBDRO C[C@H](Cc1cccs1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001652665624 1195634317 /nfs/dbraw/zinc/63/43/17/1195634317.db2.gz OGUDSUKGTGVDJC-MLGOLLRUSA-N 1 0 320.414 3.253 20 5 DGBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1C ZINC001654218873 1195785515 /nfs/dbraw/zinc/78/55/15/1195785515.db2.gz PZGNFZBCTDPKRJ-KBPBESRZSA-N 1 0 319.405 3.352 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H](C)C(C)(C)C)c1 ZINC001654730401 1195833953 /nfs/dbraw/zinc/83/39/53/1195833953.db2.gz NANDQLFRDDFHAP-GFCCVEGCSA-N 1 0 322.405 3.495 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001654956311 1195859072 /nfs/dbraw/zinc/85/90/72/1195859072.db2.gz FPNMRTPYPWYNJA-RDJZCZTQSA-N 1 0 316.401 3.484 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@]12CCCOC2 ZINC001655141719 1195880944 /nfs/dbraw/zinc/88/09/44/1195880944.db2.gz LNLADPWJWLIRDB-QGZVFWFLSA-N 1 0 320.389 3.009 20 5 DGBDRO CCC(O)(CC)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001655248310 1195895153 /nfs/dbraw/zinc/89/51/53/1195895153.db2.gz YRAMUYDVFFEHPO-UHFFFAOYSA-N 1 0 324.421 3.365 20 5 DGBDRO COC[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001655451715 1195919679 /nfs/dbraw/zinc/91/96/79/1195919679.db2.gz PXEAXCAAMGGPNA-LBPRGKRZSA-N 1 0 304.346 3.227 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001655571908 1195933937 /nfs/dbraw/zinc/93/39/37/1195933937.db2.gz DKMIOBQZJGKWMC-QFBILLFUSA-N 1 0 324.380 3.377 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@]12CCCOC2 ZINC001655921779 1195977987 /nfs/dbraw/zinc/97/79/87/1195977987.db2.gz IMAJLAQIXRJECR-KRWDZBQOSA-N 1 0 320.389 3.139 20 5 DGBDRO CC[N@H+](C)[C@@H]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001655961220 1195983755 /nfs/dbraw/zinc/98/37/55/1195983755.db2.gz BPKFWMKSGJFPJH-SECBINFHSA-N 1 0 318.204 3.432 20 5 DGBDRO Cc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001656342408 1196031482 /nfs/dbraw/zinc/03/14/82/1196031482.db2.gz JRRFZXOPUHBTBV-UHFFFAOYSA-N 1 0 300.358 3.380 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCCCO)o2)cc1 ZINC001657012137 1196093413 /nfs/dbraw/zinc/09/34/13/1196093413.db2.gz QVQPAXWVTMUJGP-UHFFFAOYSA-N 1 0 318.373 3.497 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cnc(Cl)c(C)c2)cc1[N+](=O)[O-] ZINC001657136668 1196109694 /nfs/dbraw/zinc/10/96/94/1196109694.db2.gz CCURZTFFMOPGOK-UHFFFAOYSA-N 1 0 321.764 3.250 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCC1(C[NH+](C)C)CCCC1 ZINC001657139766 1196110069 /nfs/dbraw/zinc/11/00/69/1196110069.db2.gz GGBRNMUANYQHKU-UHFFFAOYSA-N 1 0 319.449 3.423 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC001657712146 1196171202 /nfs/dbraw/zinc/17/12/02/1196171202.db2.gz XQRKZSYZXOCGGX-UHFFFAOYSA-N 1 0 311.263 3.298 20 5 DGBDRO Cc1ccc2ncc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)n2c1 ZINC001657983954 1196198987 /nfs/dbraw/zinc/19/89/87/1196198987.db2.gz ATJKYRVKDAGRKD-CYBMUJFWSA-N 1 0 310.357 3.402 20 5 DGBDRO COc1ccc(F)cc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001657997455 1196200775 /nfs/dbraw/zinc/20/07/75/1196200775.db2.gz XFUARLAXTGEPPX-UHFFFAOYSA-N 1 0 318.348 3.383 20 5 DGBDRO Cc1c(C[NH2+]CC(C)(C)C2(O)CCCC2)cccc1[N+](=O)[O-] ZINC001658131784 1196215466 /nfs/dbraw/zinc/21/54/66/1196215466.db2.gz LJXSEMDKTOQOFD-UHFFFAOYSA-N 1 0 306.406 3.324 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC(Cc3cccs3)C2)cc1 ZINC001658672725 1196287752 /nfs/dbraw/zinc/28/77/52/1196287752.db2.gz NTAJKXJUZZDWKB-UHFFFAOYSA-N 1 0 302.399 3.373 20 5 DGBDRO C[C@H](C[NH2+]Cc1ccc2nccnc2c1)c1ccccc1[N+](=O)[O-] ZINC001658683393 1196288229 /nfs/dbraw/zinc/28/82/29/1196288229.db2.gz GHCNTUOZSSYWQD-CYBMUJFWSA-N 1 0 322.368 3.431 20 5 DGBDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001658967658 1196325664 /nfs/dbraw/zinc/32/56/64/1196325664.db2.gz LTKVILUONZRJAE-CQSZACIVSA-N 1 0 320.389 3.129 20 5 DGBDRO C[C@H]1Cc2cc(CN3CCc4ccc([N+](=O)[O-])cc4C3)ccc2O1 ZINC001659156795 1196353079 /nfs/dbraw/zinc/35/30/79/1196353079.db2.gz BXQZMAGANZVNFI-ZDUSSCGKSA-N 1 0 324.380 3.477 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001659422320 1196381785 /nfs/dbraw/zinc/38/17/85/1196381785.db2.gz MTHYAGMSDQHWMA-MXASKKJJSA-N 1 0 318.417 3.463 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@H+](CCC2CC2)CC2CC2)cc1 ZINC001659548348 1196393549 /nfs/dbraw/zinc/39/35/49/1196393549.db2.gz RPJJWJJUDSTYSO-UHFFFAOYSA-N 1 0 304.390 3.486 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(CO)CCCCCCC1 ZINC001659852383 1196421122 /nfs/dbraw/zinc/42/11/22/1196421122.db2.gz CKDUMUCYQMLJOE-UHFFFAOYSA-N 1 0 310.369 3.299 20 5 DGBDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001659994682 1196436114 /nfs/dbraw/zinc/43/61/14/1196436114.db2.gz CJFOJATXXRJOQY-WOSRLPQWSA-N 1 0 319.405 3.336 20 5 DGBDRO CC[C@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)N1CCCC1 ZINC001660880215 1196538238 /nfs/dbraw/zinc/53/82/38/1196538238.db2.gz UZEADAOIGYIZIX-OAHLLOKOSA-N 1 0 305.422 3.176 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001663370469 1196849936 /nfs/dbraw/zinc/84/99/36/1196849936.db2.gz IGEFPKMJCFMENU-YOEHRIQHSA-N 1 0 304.390 3.259 20 5 DGBDRO CSC(C)(C)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001663935833 1196958724 /nfs/dbraw/zinc/95/87/24/1196958724.db2.gz BCGXDJHKCAXMLV-UHFFFAOYSA-N 1 0 323.462 3.249 20 5 DGBDRO C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001665377776 1197130314 /nfs/dbraw/zinc/13/03/14/1197130314.db2.gz GNFRXENRCJSWGX-ITDFMYJTSA-N 1 0 320.389 3.487 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCc2nc(C(C)C)no2)cccc1[N+](=O)[O-] ZINC000089577263 1197993963 /nfs/dbraw/zinc/99/39/63/1197993963.db2.gz MKYQWEZXECUMHC-LBPRGKRZSA-N 1 0 318.377 3.303 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001639406385 1194763811 /nfs/dbraw/zinc/76/38/11/1194763811.db2.gz BPWRTNOSZAMFSN-JTQLQIEISA-N 1 0 315.801 3.399 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1Nc1c[nH]nc1C(=O)OC ZINC001169575249 1081596519 /nfs/dbraw/zinc/59/65/19/1081596519.db2.gz HOMBRPCWXGORKY-UHFFFAOYSA-O 1 0 303.386 3.376 20 5 DGBDRO C[NH2+]Cc1cn(-c2ncc(F)cc2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167120874 1081720850 /nfs/dbraw/zinc/72/08/50/1081720850.db2.gz CFJGKMSNSRYPKK-UHFFFAOYSA-N 1 0 314.320 3.101 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001156495551 1081723679 /nfs/dbraw/zinc/72/36/79/1081723679.db2.gz GQSRHCVXKBUYNH-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO CC(C)CCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001167238943 1081837805 /nfs/dbraw/zinc/83/78/05/1081837805.db2.gz LKYLVDLSSPRWLL-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc2c(c1)C[N@@H+](C)CC2 ZINC001210449718 1081964520 /nfs/dbraw/zinc/96/45/20/1081964520.db2.gz LZUAKSVOMMRNCY-UHFFFAOYSA-N 1 0 313.357 3.335 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170295847 1082337336 /nfs/dbraw/zinc/33/73/36/1082337336.db2.gz WLESQXWLDQJCGA-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC001170300434 1082338064 /nfs/dbraw/zinc/33/80/64/1082338064.db2.gz ZXMMJMIUTOZZOX-LLVKDONJSA-N 1 0 304.346 3.226 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2cccs2)c([N+](=O)[O-])c1 ZINC001170298663 1082338729 /nfs/dbraw/zinc/33/87/29/1082338729.db2.gz NKAFYTGRSNVUQT-GFCCVEGCSA-N 1 0 320.414 3.428 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccoc2)c([N+](=O)[O-])c1 ZINC001170315919 1082345220 /nfs/dbraw/zinc/34/52/20/1082345220.db2.gz ZGDYOZZJQROKCW-NEPJUHHUSA-N 1 0 304.346 3.478 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CC23CCCC3)c([N+](=O)[O-])c1 ZINC001170317886 1082345403 /nfs/dbraw/zinc/34/54/03/1082345403.db2.gz LPMFISFPNHMRBL-BLLLJJGKSA-N 1 0 304.390 3.457 20 5 DGBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC001170324866 1082346479 /nfs/dbraw/zinc/34/64/79/1082346479.db2.gz TUUFHSGCWWCHRB-CVEARBPZSA-N 1 0 304.390 3.293 20 5 DGBDRO COc1ccc(C[C@H](C)[NH+]2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170328339 1082347227 /nfs/dbraw/zinc/34/72/27/1082347227.db2.gz JXVADMSFXJSHOF-QEJZJMRPSA-N 1 0 304.390 3.266 20 5 DGBDRO CCO[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344659 1082355093 /nfs/dbraw/zinc/35/50/93/1082355093.db2.gz DRVMAANMDPBYED-XJKSGUPXSA-N 1 0 322.405 3.035 20 5 DGBDRO COc1ncc([N+](=O)[O-])cc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170450515 1082475565 /nfs/dbraw/zinc/47/55/65/1082475565.db2.gz KOWDCRDPUVRZMX-UHFFFAOYSA-N 1 0 322.409 3.062 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(N2CC[N@@H+](C)CC23CCCC3)nc1Cl ZINC001158408725 1082689667 /nfs/dbraw/zinc/68/96/67/1082689667.db2.gz NZPTXIVRQDNBQJ-UHFFFAOYSA-N 1 0 324.812 3.016 20 5 DGBDRO COC(=O)CCCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001352054758 1082954913 /nfs/dbraw/zinc/95/49/13/1082954913.db2.gz PNRKLZANLBPIKL-UHFFFAOYSA-N 1 0 314.769 3.071 20 5 DGBDRO Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc([N+](=O)[O-])c1 ZINC001181022533 1083386793 /nfs/dbraw/zinc/38/67/93/1083386793.db2.gz XIAVDXORNRSXNQ-MRXNPFEDSA-N 1 0 317.389 3.249 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1c(Cl)nccc1[N+](=O)[O-] ZINC001167751147 1083622256 /nfs/dbraw/zinc/62/22/56/1083622256.db2.gz IHHSPBOWDPSDSM-LLVKDONJSA-N 1 0 312.801 3.320 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2noc3ccc(F)cc32)cc1 ZINC001183407758 1083939116 /nfs/dbraw/zinc/93/91/16/1083939116.db2.gz GJNFWVIBSGJOBK-UHFFFAOYSA-N 1 0 315.304 3.207 20 5 DGBDRO CC1(C)CC[C@@H](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)OC1 ZINC001184045071 1084095109 /nfs/dbraw/zinc/09/51/09/1084095109.db2.gz IZJSIRIHTHPHNT-INIZCTEOSA-N 1 0 306.406 3.322 20 5 DGBDRO Cc1ccc([C@H](C)OC(=O)C23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC001126788620 1087283478 /nfs/dbraw/zinc/28/34/78/1087283478.db2.gz JXWLVFNOYUDBCW-ZDUSSCGKSA-N 1 0 318.373 3.136 20 5 DGBDRO COc1ccc(Nc2ccc([C@H]3CC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001159776376 1088479533 /nfs/dbraw/zinc/47/95/33/1088479533.db2.gz SZFVAYVKQWTKGQ-ZDUSSCGKSA-N 1 0 313.357 3.424 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC001159945521 1088561005 /nfs/dbraw/zinc/56/10/05/1088561005.db2.gz BFKJRQZRRPJJSU-KRWDZBQOSA-N 1 0 313.357 3.469 20 5 DGBDRO [NH3+][C@@H]1CCN(c2ccccc2Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001160040543 1088613462 /nfs/dbraw/zinc/61/34/62/1088613462.db2.gz KXKSERAHSTWUPQ-GFCCVEGCSA-N 1 0 316.336 3.015 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2c(CC[NH3+])cc3ccccc32)n1 ZINC001160125322 1088652516 /nfs/dbraw/zinc/65/25/16/1088652516.db2.gz DAKQHMGEAFMDML-UHFFFAOYSA-N 1 0 310.357 3.052 20 5 DGBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NC[C@@H]1CCCC[NH2+]1 ZINC001160154640 1088674298 /nfs/dbraw/zinc/67/42/98/1088674298.db2.gz JYBLCTVLLZWRBD-NSHDSACASA-N 1 0 320.780 3.350 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2cccc(F)c2O[C@@H]2CC[NH2+]C2)c1 ZINC001160182261 1088687949 /nfs/dbraw/zinc/68/79/49/1088687949.db2.gz WFXHLZACGVBUPE-CYBMUJFWSA-N 1 0 317.320 3.218 20 5 DGBDRO Cc1cc(Nc2ccc(C[NH3+])nc2)nc2ccc([N+](=O)[O-])cc12 ZINC001160402381 1088788688 /nfs/dbraw/zinc/78/86/88/1088788688.db2.gz RDMZOSWHVGKGSK-UHFFFAOYSA-N 1 0 309.329 3.049 20 5 DGBDRO Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)nc2ccc([N+](=O)[O-])cc12 ZINC001154974601 1088864078 /nfs/dbraw/zinc/86/40/78/1088864078.db2.gz FFZZVLFGDMQGJO-NEPJUHHUSA-N 1 0 300.362 3.133 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001154989007 1088877462 /nfs/dbraw/zinc/87/74/62/1088877462.db2.gz IFOPPGIDAAZLDH-MNOVXSKESA-N 1 0 320.780 3.478 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001155026955 1088905189 /nfs/dbraw/zinc/90/51/89/1088905189.db2.gz XOJWOAYRXGMQQJ-OCCSQVGLSA-N 1 0 314.389 3.191 20 5 DGBDRO O=[N+]([O-])c1cccc2ccc(NC[C@]3(F)CCCC[NH2+]C3)nc21 ZINC001155115998 1088955466 /nfs/dbraw/zinc/95/54/66/1088955466.db2.gz FPPMRXXJMURCDI-INIZCTEOSA-N 1 0 318.352 3.037 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001155298658 1089055421 /nfs/dbraw/zinc/05/54/21/1089055421.db2.gz IRIRRWGOCRCJPR-CQSZACIVSA-N 1 0 320.352 3.165 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](CC2CCC2)CC1 ZINC001161228944 1089161034 /nfs/dbraw/zinc/16/10/34/1089161034.db2.gz FYAPRYDBPMJEPS-UHFFFAOYSA-N 1 0 318.421 3.222 20 5 DGBDRO C[NH+](C)Cc1cccc(CNc2cc([N+](=O)[O-])cc(Cl)n2)c1 ZINC001156044442 1089361814 /nfs/dbraw/zinc/36/18/14/1089361814.db2.gz OHTGOGDHNGQSIP-UHFFFAOYSA-N 1 0 320.780 3.317 20 5 DGBDRO C[N@@H+]1CCC[C@](C)(Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001162338237 1089678297 /nfs/dbraw/zinc/67/82/97/1089678297.db2.gz ZMBSIZIIEIIDBQ-INIZCTEOSA-N 1 0 300.362 3.039 20 5 DGBDRO C[N@@H+]1CCC[C@](C)(Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001162342269 1089683462 /nfs/dbraw/zinc/68/34/62/1089683462.db2.gz SZEOQLSSSYDHRZ-INIZCTEOSA-N 1 0 300.362 3.039 20 5 DGBDRO COc1ncnc(NCC[PH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC001162358716 1089694236 /nfs/dbraw/zinc/69/42/36/1089694236.db2.gz QXPMXMPIMLZCOT-UHFFFAOYSA-N 1 0 314.326 3.104 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])C1 ZINC001162390912 1089708772 /nfs/dbraw/zinc/70/87/72/1089708772.db2.gz JTUTYCQAAQFRMS-KBPBESRZSA-N 1 0 312.373 3.339 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001156927458 1089749086 /nfs/dbraw/zinc/74/90/86/1089749086.db2.gz DQOAGVYXPWPLNW-GFCCVEGCSA-N 1 0 317.393 3.148 20 5 DGBDRO CCOc1nc(NCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001156929756 1089754590 /nfs/dbraw/zinc/75/45/90/1089754590.db2.gz YTYPCUHQRSEECJ-CYBMUJFWSA-N 1 0 322.409 3.065 20 5 DGBDRO CC(C)(C)c1cnc(NC[C@@]2(F)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001162580001 1089806857 /nfs/dbraw/zinc/80/68/57/1089806857.db2.gz QDNZEOBPHHKPGW-MRXNPFEDSA-N 1 0 324.400 3.181 20 5 DGBDRO O=[N+]([O-])c1cc(NC[C@]2(F)CCCC[NH2+]C2)cc2cccnc21 ZINC001162583970 1089807742 /nfs/dbraw/zinc/80/77/42/1089807742.db2.gz WQCQEFPPMKFHFD-INIZCTEOSA-N 1 0 318.352 3.037 20 5 DGBDRO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])ccn2)c2cccc(Cl)c12 ZINC001162653674 1089859717 /nfs/dbraw/zinc/85/97/17/1089859717.db2.gz DAHKHLBFCHZXIL-UHFFFAOYSA-N 1 0 316.748 3.088 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001157264558 1089893239 /nfs/dbraw/zinc/89/32/39/1089893239.db2.gz FIGKAIBYOPJEQV-DLBZAZTESA-N 1 0 318.424 3.313 20 5 DGBDRO CC1(Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC[NH2+]CC1 ZINC001157401610 1089946878 /nfs/dbraw/zinc/94/68/78/1089946878.db2.gz NFDIUCSCNASFHF-UHFFFAOYSA-N 1 0 320.780 3.350 20 5 DGBDRO Cc1c(NCc2ccc3c(c2)CC[NH2+]C3)cc(F)cc1[N+](=O)[O-] ZINC001162807279 1089966493 /nfs/dbraw/zinc/96/64/93/1089966493.db2.gz DWVKPOQAHRYFNP-UHFFFAOYSA-N 1 0 315.348 3.300 20 5 DGBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cccc3ncc([N+](=O)[O-])n32)c1 ZINC001162914534 1090023427 /nfs/dbraw/zinc/02/34/27/1090023427.db2.gz WGJMULMKXXJBOX-LLVKDONJSA-N 1 0 321.340 3.206 20 5 DGBDRO C[C@@H]1CCN1C(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001157922515 1090151877 /nfs/dbraw/zinc/15/18/77/1090151877.db2.gz PZAODLYEMFUEIV-VLIAUNLRSA-N 1 0 318.420 3.484 20 5 DGBDRO [NH3+]C1(CNc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC001163328603 1090152906 /nfs/dbraw/zinc/15/29/06/1090152906.db2.gz WXKSNPALMLRTPK-UHFFFAOYSA-N 1 0 306.753 3.090 20 5 DGBDRO C[C@@H](C[NH+](C)C)Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001163772381 1090255167 /nfs/dbraw/zinc/25/51/67/1090255167.db2.gz LLZUXGAIAHQPPT-LBPRGKRZSA-N 1 0 300.362 3.019 20 5 DGBDRO C[NH+](C)C1(C)CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001163947190 1090294397 /nfs/dbraw/zinc/29/43/97/1090294397.db2.gz PTBLOHTYZGOGNF-UHFFFAOYSA-N 1 0 322.365 3.178 20 5 DGBDRO Cc1cc(N2C[C@H](C)CC[C@H]2C[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001164070692 1090334118 /nfs/dbraw/zinc/33/41/18/1090334118.db2.gz OYBKZTSEXCEEGU-RISCZKNCSA-N 1 0 314.389 3.015 20 5 DGBDRO C[C@]1(C[NH3+])CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164249155 1090386412 /nfs/dbraw/zinc/38/64/12/1090386412.db2.gz VOLVFWSCNURELY-KRWDZBQOSA-N 1 0 314.389 3.098 20 5 DGBDRO CC(C)[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC001165201031 1090478536 /nfs/dbraw/zinc/47/85/36/1090478536.db2.gz KZTTVUROIQJEHX-CYBMUJFWSA-N 1 0 314.389 3.062 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2ncc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001165260190 1090491331 /nfs/dbraw/zinc/49/13/31/1090491331.db2.gz FNJLTZXNBWDLQO-ZDUSSCGKSA-N 1 0 320.437 3.431 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC001168601178 1090598883 /nfs/dbraw/zinc/59/88/83/1090598883.db2.gz LLIVQFMTVDPQJI-HOCLYGCPSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1cc(C)cc(CCN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC001205667865 1091305457 /nfs/dbraw/zinc/30/54/57/1091305457.db2.gz QQKFFZSXIRDPKZ-UHFFFAOYSA-N 1 0 313.401 3.219 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001205841406 1091375504 /nfs/dbraw/zinc/37/55/04/1091375504.db2.gz JRLCEZJUONOGIX-RDTXWAMCSA-N 1 0 320.440 3.342 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001206256583 1091553050 /nfs/dbraw/zinc/55/30/50/1091553050.db2.gz WOOYWNPJBSZBJG-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO C[NH+](C)CCn1cc(-c2ccc3ccc4cccnc4c3n2)cn1 ZINC001206310222 1091573305 /nfs/dbraw/zinc/57/33/05/1091573305.db2.gz BITJKCPFECCWBX-UHFFFAOYSA-N 1 0 317.396 3.208 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCN2C2CCCCC2)cc1 ZINC001206691076 1091704153 /nfs/dbraw/zinc/70/41/53/1091704153.db2.gz BVPLFXZLEDHRMZ-GOSISDBHSA-N 1 0 317.433 3.134 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC001168977059 1092456545 /nfs/dbraw/zinc/45/65/45/1092456545.db2.gz HLDJNWPXKCCQBC-QGPMSJSTSA-N 1 0 311.385 3.206 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)C1 ZINC001168960150 1092464640 /nfs/dbraw/zinc/46/46/40/1092464640.db2.gz ZUPYAGVEEAMOTN-OCCSQVGLSA-N 1 0 316.323 3.283 20 5 DGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965734 1092468222 /nfs/dbraw/zinc/46/82/22/1092468222.db2.gz CJZWZTVWTFGDFN-GXFFZTMASA-N 1 0 307.781 3.371 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccncc2)C1 ZINC001168968065 1092470124 /nfs/dbraw/zinc/47/01/24/1092470124.db2.gz VGHJJCUSOUXSRT-FHLIZLRMSA-N 1 0 311.385 3.206 20 5 DGBDRO CC(C)(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1cccc(F)c1 ZINC001168997890 1092479537 /nfs/dbraw/zinc/47/95/37/1092479537.db2.gz GEVSRIJYYZOGET-HOCLYGCPSA-N 1 0 308.397 3.429 20 5 DGBDRO COc1ccc(CC(C)(C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168997293 1092479579 /nfs/dbraw/zinc/47/95/79/1092479579.db2.gz YNDUTJNWYBEPFI-HUUCEWRRSA-N 1 0 306.406 3.051 20 5 DGBDRO COc1ccc(CC(C)(C)C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169000679 1092481330 /nfs/dbraw/zinc/48/13/30/1092481330.db2.gz YRPUUMWCXULHQI-JKSUJKDBSA-N 1 0 320.433 3.299 20 5 DGBDRO COc1cccc([C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC2)c1 ZINC001169004898 1092483025 /nfs/dbraw/zinc/48/30/25/1092483025.db2.gz RSVKYLAQYSPJMB-SRCQZFHVSA-N 1 0 304.390 3.181 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC001168989368 1092491805 /nfs/dbraw/zinc/49/18/05/1092491805.db2.gz WIWISZVJYNBCFZ-DOTOQJQBSA-N 1 0 317.433 3.212 20 5 DGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)c2c1 ZINC001168987434 1092492307 /nfs/dbraw/zinc/49/23/07/1092492307.db2.gz IKCUITUHWPMCEI-SQWLQELKSA-N 1 0 315.417 3.457 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3F)CC2)C1 ZINC001169029062 1092494757 /nfs/dbraw/zinc/49/47/57/1092494757.db2.gz UFBCTQPHXQSTRJ-DZGCQCFKSA-N 1 0 306.381 3.451 20 5 DGBDRO CC(C)[N@H+](CC(=O)c1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039298 1092501871 /nfs/dbraw/zinc/50/18/71/1092501871.db2.gz PKRHNCWSPRRSNA-ZBFHGGJFSA-N 1 0 304.390 3.025 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001169038658 1092502044 /nfs/dbraw/zinc/50/20/44/1092502044.db2.gz JYSYMHWJRDXGBX-OLZOCXBDSA-N 1 0 300.358 3.236 20 5 DGBDRO COc1ccccc1C[C@H](C)[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047456 1092507858 /nfs/dbraw/zinc/50/78/58/1092507858.db2.gz RCSNQRFXEUBZSE-OFQRWUPVSA-N 1 0 306.406 3.003 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC001169026987 1092507934 /nfs/dbraw/zinc/50/79/34/1092507934.db2.gz OQKMRIODWADFCW-IAGOWNOFSA-N 1 0 318.417 3.113 20 5 DGBDRO C[NH2+]CCc1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001169046319 1092507997 /nfs/dbraw/zinc/50/79/97/1092507997.db2.gz KLGNITXTRHTZTM-HIFRSBDPSA-N 1 0 301.390 3.021 20 5 DGBDRO CC1(c2ccccc2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049634 1092509110 /nfs/dbraw/zinc/50/91/10/1092509110.db2.gz XCUHBXLAJMGTGM-DOTOQJQBSA-N 1 0 302.418 3.486 20 5 DGBDRO Cc1ccc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001120071984 1094370810 /nfs/dbraw/zinc/37/08/10/1094370810.db2.gz CJQJLYHUMBJZQA-KKUMJFAQSA-N 1 0 303.406 3.070 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001120072402 1094372495 /nfs/dbraw/zinc/37/24/95/1094372495.db2.gz KBKKSSSVMJBBGB-KKUMJFAQSA-N 1 0 303.406 3.070 20 5 DGBDRO C[NH+](C)C1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001120548161 1094453179 /nfs/dbraw/zinc/45/31/79/1094453179.db2.gz UXNLMTAWHPTQRZ-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO Cc1ccc(-c2nnc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC001217733087 1094486816 /nfs/dbraw/zinc/48/68/16/1094486816.db2.gz KEJQIJXZSPIIPT-OAHLLOKOSA-N 1 0 324.340 3.196 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@H]2CC[C@@]23CC[NH2+]C3)c2ccccc21 ZINC001217805350 1094498601 /nfs/dbraw/zinc/49/86/01/1094498601.db2.gz IBSLBBCRLZHCMF-ROUUACIJSA-N 1 0 312.369 3.407 20 5 DGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c2ccccc21 ZINC001217933273 1094520282 /nfs/dbraw/zinc/52/02/82/1094520282.db2.gz IWZNWGYDNIIJPM-XHBKTUGNSA-N 1 0 312.369 3.263 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217943881 1094522631 /nfs/dbraw/zinc/52/26/31/1094522631.db2.gz BXKFJZFKHKXOBY-ONGXEEELSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217945075 1094523766 /nfs/dbraw/zinc/52/37/66/1094523766.db2.gz AOVCSRCBELBHGU-ONGXEEELSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C[C@H]2F)c2ccccc21 ZINC001217944410 1094523802 /nfs/dbraw/zinc/52/38/02/1094523802.db2.gz HZTAAWIHYSDBFF-CZUORRHYSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217947235 1094525614 /nfs/dbraw/zinc/52/56/14/1094525614.db2.gz QUDQAOOSHUGPOV-HIFRSBDPSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC[C@H]2F)cc(C(F)(F)F)c1 ZINC001217980823 1094540524 /nfs/dbraw/zinc/54/05/24/1094540524.db2.gz MVTNYAAVXXDVMG-NEPJUHHUSA-N 1 0 322.258 3.083 20 5 DGBDRO F[C@H]1CCC[NH2+]C[C@@H]1Oc1cccc2nc3ccccc3nc21 ZINC001217982924 1094541794 /nfs/dbraw/zinc/54/17/94/1094541794.db2.gz XPRCOOIFDMIUOO-SJCJKPOMSA-N 1 0 311.360 3.252 20 5 DGBDRO O=c1oc2cc(O[C@H]3CCC[NH2+]CC3)ccc2c2ccccc21 ZINC001217993655 1094547534 /nfs/dbraw/zinc/54/75/34/1094547534.db2.gz BAWFRCRAUDGJFJ-ZDUSSCGKSA-N 1 0 309.365 3.467 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CC[NH2+]CC[C@H]2F)cc1Cl ZINC001218015740 1094560622 /nfs/dbraw/zinc/56/06/22/1094560622.db2.gz MTGSAKDSMZXLRW-KOLCDFICSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001218024517 1094565484 /nfs/dbraw/zinc/56/54/84/1094565484.db2.gz AVPFFJFSPHJHEI-SKDRFNHKSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC1CC2(C[NH2+]C2)C1 ZINC001218054798 1094579283 /nfs/dbraw/zinc/57/92/83/1094579283.db2.gz TWCKQSYWNKYHIY-UHFFFAOYSA-N 1 0 310.353 3.393 20 5 DGBDRO C[C@H]1C[C@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218055025 1094579286 /nfs/dbraw/zinc/57/92/86/1094579286.db2.gz GWGGEKUHXOCJNN-JGVFFNPUSA-N 1 0 305.161 3.421 20 5 DGBDRO c1ccc2nc3c(cccc3OC3CC4(C3)CC[NH2+]C4)nc2c1 ZINC001218061661 1094581439 /nfs/dbraw/zinc/58/14/39/1094581439.db2.gz WDCPFXHJDDKKFQ-UHFFFAOYSA-N 1 0 305.381 3.304 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2CC[NH2+]C[C@@H]2F)cc1 ZINC001218074464 1094589161 /nfs/dbraw/zinc/58/91/61/1094589161.db2.gz ZYYVHUFGHSENFM-DOTOQJQBSA-N 1 0 316.332 3.341 20 5 DGBDRO CC(C)(C)c1ccc(O[C@H]2CSC3(C[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001218095675 1094599676 /nfs/dbraw/zinc/59/96/76/1094599676.db2.gz IXZSLCGMKIURJG-GFCCVEGCSA-N 1 0 322.430 3.119 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218094969 1094599751 /nfs/dbraw/zinc/59/97/51/1094599751.db2.gz XYIXHOBNEXGFSQ-KBPBESRZSA-N 1 0 314.744 3.298 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218114723 1094613591 /nfs/dbraw/zinc/61/35/91/1094613591.db2.gz CYINKBRGPNPFPJ-WCQYABFASA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218115593 1094613952 /nfs/dbraw/zinc/61/39/52/1094613952.db2.gz OGMZGNRGYZUUFS-CHWSQXEVSA-N 1 0 316.279 3.135 20 5 DGBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@H]1CC[C@@H]2[NH2+]CCO[C@H]21 ZINC001218150254 1094634682 /nfs/dbraw/zinc/63/46/82/1094634682.db2.gz CETRPDQVGXFNTG-GBESFXJTSA-N 1 0 320.392 3.286 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1OC1CCC2(C[NH2+]C2)CC1 ZINC001218262715 1094686658 /nfs/dbraw/zinc/68/66/58/1094686658.db2.gz RZWXFQHYDGCHSS-UHFFFAOYSA-N 1 0 314.744 3.298 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218306761 1094705567 /nfs/dbraw/zinc/70/55/67/1094705567.db2.gz KNEDMGHPMRLVJH-SECBINFHSA-N 1 0 314.744 3.441 20 5 DGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001218313931 1094710412 /nfs/dbraw/zinc/71/04/12/1094710412.db2.gz FEASPQMNJLGFCG-LLVKDONJSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)cc2)c1 ZINC001218331894 1094722117 /nfs/dbraw/zinc/72/21/17/1094722117.db2.gz UTANPHHMTFOGOW-JCGIZDLHSA-N 1 0 310.353 3.249 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218400238 1094751909 /nfs/dbraw/zinc/75/19/09/1094751909.db2.gz STJSGQQBHJNEQF-LBPRGKRZSA-N 1 0 317.172 3.423 20 5 DGBDRO C[C@@H]1CC[C@@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C[NH2+]1 ZINC001218401380 1094753568 /nfs/dbraw/zinc/75/35/68/1094753568.db2.gz HEHYWUXHZNTIRX-RKDXNWHRSA-N 1 0 304.268 3.133 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC23CC3)cc(C(F)(F)F)c1 ZINC001218403491 1094754526 /nfs/dbraw/zinc/75/45/26/1094754526.db2.gz JFCCTHUAFBIWJV-GFCCVEGCSA-N 1 0 316.279 3.135 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@H]3C[NH2+]CCC34CC4)nc2c1 ZINC001218405674 1094756179 /nfs/dbraw/zinc/75/61/79/1094756179.db2.gz PEXCAVGUMUNQKM-KRWDZBQOSA-N 1 0 305.381 3.304 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2C[NH2+]CCC23CC3)cc1Cl ZINC001218406761 1094756377 /nfs/dbraw/zinc/75/63/77/1094756377.db2.gz WHXFLXZOSHXQSU-LBPRGKRZSA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(Cl)c1 ZINC001218444660 1094778987 /nfs/dbraw/zinc/77/89/87/1094778987.db2.gz ONHQDXPPVIHWTN-PFZYVWIYSA-N 1 0 303.145 3.031 20 5 DGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1C[NH2+]CCC1(F)F ZINC001218449392 1094782420 /nfs/dbraw/zinc/78/24/20/1094782420.db2.gz VGUZHUSFHHGFEG-ZDUSSCGKSA-N 1 0 308.284 3.124 20 5 DGBDRO O=[N+]([O-])c1c(O[C@@H]2C[NH2+]CCC2(F)F)ccc2ccccc21 ZINC001218452910 1094783261 /nfs/dbraw/zinc/78/32/61/1094783261.db2.gz GDRNLHIZQXTOFY-CYBMUJFWSA-N 1 0 308.284 3.124 20 5 DGBDRO O=c1oc2cc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)ccc2c2ccccc21 ZINC001218459006 1094788923 /nfs/dbraw/zinc/78/89/23/1094788923.db2.gz AZOGVJYTROVLLR-NXOUGTEYSA-N 1 0 321.376 3.323 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(F)c(O[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC001218485890 1094809871 /nfs/dbraw/zinc/80/98/71/1094809871.db2.gz FRSHNHQKJBQUEX-AWEZNQCLSA-N 1 0 306.268 3.096 20 5 DGBDRO O=[N+]([O-])c1ccc2ncccc2c1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218488575 1094816196 /nfs/dbraw/zinc/81/61/96/1094816196.db2.gz KMUNAHYWXADQFM-KRWDZBQOSA-N 1 0 321.336 3.366 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3C[C@H]4C[NH2+][C@@H]3C4)c2)c1 ZINC001218491543 1094821325 /nfs/dbraw/zinc/82/13/25/1094821325.db2.gz LZTXNYLKYXKJEB-JBBXEZCESA-N 1 0 310.353 3.391 20 5 DGBDRO C[C@@H](NC(=O)[C@H]([NH3+])C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001122168120 1094916126 /nfs/dbraw/zinc/91/61/26/1094916126.db2.gz YBKOEMORNPAWSJ-MLGOLLRUSA-N 1 0 319.405 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2SCCS2)c(Cl)c1 ZINC000692819884 1094970940 /nfs/dbraw/zinc/97/09/40/1094970940.db2.gz ZRNUAUMSXFLNQO-UHFFFAOYSA-N 1 0 304.824 3.144 20 5 DGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000313038175 1094993978 /nfs/dbraw/zinc/99/39/78/1094993978.db2.gz ZZSXHAWPQUUYIU-LBPRGKRZSA-N 1 0 302.733 3.154 20 5 DGBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC001337735102 1095076989 /nfs/dbraw/zinc/07/69/89/1095076989.db2.gz SHLWTIYNKWNKQW-HZPDHXFCSA-N 1 0 312.373 3.182 20 5 DGBDRO C[NH+](C)CCCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC001338197605 1095217661 /nfs/dbraw/zinc/21/76/61/1095217661.db2.gz HHYXUJZVLLDWPG-UHFFFAOYSA-N 1 0 306.391 3.082 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC001338537275 1095329686 /nfs/dbraw/zinc/32/96/86/1095329686.db2.gz XWLPUIXMQFNPEA-BMIGLBTASA-N 1 0 321.764 3.027 20 5 DGBDRO CCCN1CCCC[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC001116114805 1095458739 /nfs/dbraw/zinc/45/87/39/1095458739.db2.gz CCIQRXURISHURK-MRXNPFEDSA-N 1 0 320.389 3.211 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293147 1095509115 /nfs/dbraw/zinc/50/91/15/1095509115.db2.gz KMRXMAAHABXJKH-LSDHHAIUSA-N 1 0 305.422 3.286 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001124128831 1095549664 /nfs/dbraw/zinc/54/96/64/1095549664.db2.gz SZNOFFPTUQSDRN-CQSZACIVSA-N 1 0 321.421 3.062 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001116538547 1095592994 /nfs/dbraw/zinc/59/29/94/1095592994.db2.gz RISQUYFHCGXEJZ-UHFFFAOYSA-N 1 0 324.340 3.420 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001116743382 1095646562 /nfs/dbraw/zinc/64/65/62/1095646562.db2.gz KCEJRYKDLCAHQW-XVAUXJJVSA-N 1 0 316.401 3.499 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1COC1CC[NH+](C(C)(C)C)CC1 ZINC001223108766 1095872248 /nfs/dbraw/zinc/87/22/48/1095872248.db2.gz YGFLWACQHQWGLU-UHFFFAOYSA-N 1 0 322.405 3.383 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H](C(C)C)[C@H](C)[NH3+])n1 ZINC001117964962 1095911441 /nfs/dbraw/zinc/91/14/41/1095911441.db2.gz GEHJUOYZKSVRGX-FZMZJTMJSA-N 1 0 318.377 3.348 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])Nc1ccc(C)cc1 ZINC001118349675 1095985131 /nfs/dbraw/zinc/98/51/31/1095985131.db2.gz DFLVQSAVXFAWDG-UHFFFAOYSA-N 1 0 314.345 3.048 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@H](CF)C2)c1 ZINC001119329331 1096169283 /nfs/dbraw/zinc/16/92/83/1096169283.db2.gz LPGUGRATURCWCU-CYBMUJFWSA-N 1 0 318.352 3.097 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(-n2c(CC[NH3+])cc3ccccc32)c1F ZINC001171304081 1096223102 /nfs/dbraw/zinc/22/31/02/1096223102.db2.gz MNOUFSXBJXJGMR-UHFFFAOYSA-N 1 0 313.332 3.487 20 5 DGBDRO C[C@H](OCCC[N+](C)(C)C)c1cccc(Br)n1 ZINC001224620123 1096248315 /nfs/dbraw/zinc/24/83/15/1096248315.db2.gz TYPZLPPBBHRWQD-NSHDSACASA-N 1 0 302.236 3.018 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001225904833 1096559649 /nfs/dbraw/zinc/55/96/49/1096559649.db2.gz KHEZZGVWPVMJLF-UHFFFAOYSA-N 1 0 317.320 3.177 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001225919373 1096564442 /nfs/dbraw/zinc/56/44/42/1096564442.db2.gz SPZFPXOUMLGUSQ-VIFPVBQESA-N 1 0 307.292 3.087 20 5 DGBDRO CC[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225956996 1096573518 /nfs/dbraw/zinc/57/35/18/1096573518.db2.gz RZTFTMZUDIYROS-SNVBAGLBSA-N 1 0 304.268 3.087 20 5 DGBDRO CC[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001226203217 1096636445 /nfs/dbraw/zinc/63/64/45/1096636445.db2.gz FSXDWVTXFBJBRL-QMMMGPOBSA-N 1 0 305.161 3.375 20 5 DGBDRO CC[NH+]1CCC(Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001226301669 1096656577 /nfs/dbraw/zinc/65/65/77/1096656577.db2.gz ONYILQPITYBTJZ-UHFFFAOYSA-N 1 0 318.295 3.477 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001226968221 1096829876 /nfs/dbraw/zinc/82/98/76/1096829876.db2.gz DKYQCXNUNDCOOE-VIFPVBQESA-N 1 0 307.292 3.087 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001226968220 1096830011 /nfs/dbraw/zinc/83/00/11/1096830011.db2.gz DKYQCXNUNDCOOE-SECBINFHSA-N 1 0 307.292 3.087 20 5 DGBDRO C[NH+]1CCC(Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC001226964734 1096830055 /nfs/dbraw/zinc/83/00/55/1096830055.db2.gz QTZNFHLTOXOHOC-UHFFFAOYSA-N 1 0 304.268 3.087 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227154379 1096881259 /nfs/dbraw/zinc/88/12/59/1096881259.db2.gz QQIAMCDENUEEHT-VIFPVBQESA-N 1 0 302.733 3.249 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC001227154834 1096882433 /nfs/dbraw/zinc/88/24/33/1096882433.db2.gz USRKTOSMGYECGC-ILWJIGKKSA-N 1 0 314.744 3.391 20 5 DGBDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001227523554 1096944398 /nfs/dbraw/zinc/94/43/98/1096944398.db2.gz MHBACFPUTHVMCF-XJKSGUPXSA-N 1 0 313.357 3.204 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)c(OC(F)(F)F)c(F)c1 ZINC001227647919 1096966032 /nfs/dbraw/zinc/96/60/32/1096966032.db2.gz LDMXDUVRLUHZLP-MRVPVSSYSA-N 1 0 314.274 3.337 20 5 DGBDRO C[NH+](C)C1CCC(Oc2cc([N+](=O)[O-])cc(F)c2F)CC1 ZINC001228017578 1097033295 /nfs/dbraw/zinc/03/32/95/1097033295.db2.gz WWLOJTGBMKNXPZ-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2ccc(Br)cc2c1 ZINC001228083397 1097047460 /nfs/dbraw/zinc/04/74/60/1097047460.db2.gz CAFBINJLVROHIJ-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])c2cccnc12 ZINC001228135998 1097059911 /nfs/dbraw/zinc/05/99/11/1097059911.db2.gz OXGILWKAILTWOA-GFCCVEGCSA-N 1 0 303.362 3.252 20 5 DGBDRO CC[N@@H+]1CC[C@@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001228179205 1097068802 /nfs/dbraw/zinc/06/88/02/1097068802.db2.gz BOECKOFOTZXTQE-CQSZACIVSA-N 1 0 309.365 3.419 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001228209768 1097074715 /nfs/dbraw/zinc/07/47/15/1097074715.db2.gz YNTMNNVCFHYFBL-SNVBAGLBSA-N 1 0 309.391 3.314 20 5 DGBDRO Cc1cc(C)c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001228236656 1097079515 /nfs/dbraw/zinc/07/95/15/1097079515.db2.gz BACZMFPZHFOOEL-XOIINTDNSA-N 1 0 304.390 3.321 20 5 DGBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1OC1CC[NH+](C(C)C)CC1 ZINC001228452375 1097123612 /nfs/dbraw/zinc/12/36/12/1097123612.db2.gz IWXAVSZBEUSSOM-UHFFFAOYSA-N 1 0 320.389 3.357 20 5 DGBDRO C[NH+]1CCN(c2cccc(Nc3ccccc3[N+](=O)[O-])c2)CC1 ZINC001206164732 1097169149 /nfs/dbraw/zinc/16/91/49/1097169149.db2.gz PHNLKRUWGUISLN-UHFFFAOYSA-N 1 0 312.373 3.090 20 5 DGBDRO Cc1ncccc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897362 1097267769 /nfs/dbraw/zinc/26/77/69/1097267769.db2.gz ZUOHVHSDYOIHST-KRWDZBQOSA-N 1 0 311.385 3.335 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(F)nc1)CC2 ZINC001172903732 1097269106 /nfs/dbraw/zinc/26/91/06/1097269106.db2.gz SRQSQQPFEATGIM-OAHLLOKOSA-N 1 0 315.348 3.166 20 5 DGBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172905056 1097269109 /nfs/dbraw/zinc/26/91/09/1097269109.db2.gz QIOGERXBNWTCRA-CZUORRHYSA-N 1 0 316.401 3.143 20 5 DGBDRO COC[C@H]1CCCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906261 1097269350 /nfs/dbraw/zinc/26/93/50/1097269350.db2.gz WRXQHCUKNNJCLY-SJLPKXTDSA-N 1 0 318.417 3.343 20 5 DGBDRO C[C@]1(O)CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907880 1097270136 /nfs/dbraw/zinc/27/01/36/1097270136.db2.gz IPHHSKAWRKZSDU-AEFFLSMTSA-N 1 0 318.417 3.079 20 5 DGBDRO CO[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H](C)C1 ZINC001172913643 1097278163 /nfs/dbraw/zinc/27/81/63/1097278163.db2.gz SXPUSUFEESMAJZ-FDQGKXFDSA-N 1 0 318.417 3.342 20 5 DGBDRO Cc1cccnc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895937 1097278370 /nfs/dbraw/zinc/27/83/70/1097278370.db2.gz JUIBHZUDPDQTHU-MRXNPFEDSA-N 1 0 311.385 3.335 20 5 DGBDRO CO[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172916456 1097279083 /nfs/dbraw/zinc/27/90/83/1097279083.db2.gz RVRBWNFGRQFJTD-FUHWJXTLSA-N 1 0 318.417 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCc3ncccc3C1)CC2 ZINC001172915516 1097279098 /nfs/dbraw/zinc/27/90/98/1097279098.db2.gz NUGRPSDCLOFLCE-KRWDZBQOSA-N 1 0 323.396 3.296 20 5 DGBDRO CCCCOC1C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172916881 1097279481 /nfs/dbraw/zinc/27/94/81/1097279481.db2.gz UJZHMEHKXGHNFQ-INIZCTEOSA-N 1 0 318.417 3.343 20 5 DGBDRO CC[C@@]12C[C@@H](CO1)[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172918850 1097279805 /nfs/dbraw/zinc/27/98/05/1097279805.db2.gz CRCUYXFULZECET-NJAFHUGGSA-N 1 0 316.401 3.096 20 5 DGBDRO CCO[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917841 1097280369 /nfs/dbraw/zinc/28/03/69/1097280369.db2.gz XKNZPABZWJJTQP-SJLPKXTDSA-N 1 0 318.417 3.343 20 5 DGBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922592 1097281937 /nfs/dbraw/zinc/28/19/37/1097281937.db2.gz ZBMBELNOGFYLLH-RDJZCZTQSA-N 1 0 318.417 3.078 20 5 DGBDRO CC(C)[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172912451 1097291360 /nfs/dbraw/zinc/29/13/60/1097291360.db2.gz AAVYJFHOARMLEL-SJLPKXTDSA-N 1 0 318.417 3.199 20 5 DGBDRO C[N@H+](Cc1cccnc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909585 1097291405 /nfs/dbraw/zinc/29/14/05/1097291405.db2.gz TVBVYYZRJXEORH-KRWDZBQOSA-N 1 0 311.385 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](n1ccc3c1CC[NH2+]C3)CC2 ZINC001172912651 1097292105 /nfs/dbraw/zinc/29/21/05/1097292105.db2.gz LCOTXCZJTIPDLB-INIZCTEOSA-N 1 0 311.385 3.162 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC13CCOCC3)CC2 ZINC001172913249 1097293492 /nfs/dbraw/zinc/29/34/92/1097293492.db2.gz UZVMCVIBDJYRBD-WBVHZDCISA-N 1 0 316.401 3.001 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(C)CC2)c1F ZINC001173187057 1097357825 /nfs/dbraw/zinc/35/78/25/1097357825.db2.gz VYTGPKNOAUGMTE-GFCCVEGCSA-N 1 0 310.369 3.405 20 5 DGBDRO CC[C@@H]1CC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173194742 1097358922 /nfs/dbraw/zinc/35/89/22/1097358922.db2.gz ZUGIANRKYONEBT-VXGBXAGGSA-N 1 0 310.369 3.405 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])c1ccc(F)c(F)c1 ZINC001173215637 1097367685 /nfs/dbraw/zinc/36/76/85/1097367685.db2.gz XOIDCWGPNBKUMA-JTQLQIEISA-N 1 0 319.311 3.419 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])c1ccc(Cl)nc1 ZINC001173215349 1097367866 /nfs/dbraw/zinc/36/78/66/1097367866.db2.gz VHAHJQWJFRBTNE-JTQLQIEISA-N 1 0 318.764 3.189 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCc1ccccc1 ZINC001173215755 1097367874 /nfs/dbraw/zinc/36/78/74/1097367874.db2.gz ZIQVZLVKEHINCR-HNNXBMFYSA-N 1 0 314.385 3.332 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC001173218039 1097369411 /nfs/dbraw/zinc/36/94/11/1097369411.db2.gz AMLAOCSYRPGETQ-UKRRQHHQSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2c1OCO2 ZINC001173218535 1097369450 /nfs/dbraw/zinc/36/94/50/1097369450.db2.gz PWYAPESUDXZGMG-GFCCVEGCSA-N 1 0 314.341 3.044 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])c1cccnc1Cl ZINC001173219854 1097370569 /nfs/dbraw/zinc/37/05/69/1097370569.db2.gz PVQPLUZTAKYTFQ-JTQLQIEISA-N 1 0 318.764 3.189 20 5 DGBDRO CCC(CC)N1CC[C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173219280 1097370665 /nfs/dbraw/zinc/37/06/65/1097370665.db2.gz AHNVCUXQTIGPSV-HOCLYGCPSA-N 1 0 319.449 3.378 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c(C[NH3+])cc2ccncc21 ZINC001173221363 1097372282 /nfs/dbraw/zinc/37/22/82/1097372282.db2.gz MNJGYGUHYDLCMJ-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO COc1ccc(F)c(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173222668 1097373119 /nfs/dbraw/zinc/37/31/19/1097373119.db2.gz YMMAGIOATSPRGA-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)c1cccc(F)c1 ZINC001173225586 1097374753 /nfs/dbraw/zinc/37/47/53/1097374753.db2.gz SIPOSZTYQIUVJP-GFCCVEGCSA-N 1 0 316.332 3.137 20 5 DGBDRO CO[C@@H]1CCC[C@@H]2C[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001173229978 1097375837 /nfs/dbraw/zinc/37/58/37/1097375837.db2.gz YGDNZAMGWXAAPJ-LFVTVUPYSA-N 1 0 318.417 3.273 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001173227676 1097376074 /nfs/dbraw/zinc/37/60/74/1097376074.db2.gz SEYZHOMCCWVYMY-CXAGYDPISA-N 1 0 312.373 3.153 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc2ccc(C[NH3+])cc21 ZINC001173232224 1097376990 /nfs/dbraw/zinc/37/69/90/1097376990.db2.gz DYABCNKKMORUFI-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1cccc(F)c1 ZINC001173235389 1097378268 /nfs/dbraw/zinc/37/82/68/1097378268.db2.gz SLQLHIXQJVNMSW-ZDUSSCGKSA-N 1 0 318.348 3.334 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001173235701 1097379149 /nfs/dbraw/zinc/37/91/49/1097379149.db2.gz YOESTLQFJQOJCC-ZFWWWQNUSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(c2ccccn2)CC1 ZINC001173236139 1097379608 /nfs/dbraw/zinc/37/96/08/1097379608.db2.gz XOZYQRZTCHWGLU-AWEZNQCLSA-N 1 0 311.385 3.242 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cn2ccccc2n1 ZINC001173236181 1097380343 /nfs/dbraw/zinc/38/03/43/1097380343.db2.gz YRWDZGSOFJPLQH-AWEZNQCLSA-N 1 0 324.384 3.006 20 5 DGBDRO COc1ccccc1CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173208644 1097380482 /nfs/dbraw/zinc/38/04/82/1097380482.db2.gz AEKYQFRUIZUHQU-AWEZNQCLSA-N 1 0 314.385 3.367 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc(Cl)c1 ZINC001173212289 1097381225 /nfs/dbraw/zinc/38/12/25/1097381225.db2.gz ZDTNWQGNUKHXMX-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)nc1 ZINC001173213608 1097381382 /nfs/dbraw/zinc/38/13/82/1097381382.db2.gz GQHHZKLEVBICGN-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO Cc1ccc(OC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230492237 1097498084 /nfs/dbraw/zinc/49/80/84/1097498084.db2.gz LWWWHQDJZCOMAO-UHFFFAOYSA-N 1 0 323.349 3.063 20 5 DGBDRO C[NH+](C)C1CCC(Oc2cnc3c(cccc3[N+](=O)[O-])c2)CC1 ZINC001231156663 1097684146 /nfs/dbraw/zinc/68/41/46/1097684146.db2.gz NHJIPZGVQHCUKL-UHFFFAOYSA-N 1 0 315.373 3.395 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)[C@H]1CO ZINC001232218288 1097970417 /nfs/dbraw/zinc/97/04/17/1097970417.db2.gz FOCHWPJTNQVUIP-KSSFIOAISA-N 1 0 321.424 3.376 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1O ZINC001232218387 1097970749 /nfs/dbraw/zinc/97/07/49/1097970749.db2.gz HQCHIRXVHVQGAS-KDOFPFPSSA-N 1 0 321.424 3.376 20 5 DGBDRO O[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219389 1097971039 /nfs/dbraw/zinc/97/10/39/1097971039.db2.gz TWWSNUPHGRKXLU-QGZVFWFLSA-N 1 0 307.397 3.130 20 5 DGBDRO O[C@H]1CCCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219146 1097971830 /nfs/dbraw/zinc/97/18/30/1097971830.db2.gz RUTAZKLKQPYFRC-KRWDZBQOSA-N 1 0 307.397 3.130 20 5 DGBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232223661 1097972831 /nfs/dbraw/zinc/97/28/31/1097972831.db2.gz RQINOABKFWJLEH-LJQANCHMSA-N 1 0 307.397 3.130 20 5 DGBDRO CO[C@@H](C)C1C[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232227658 1097973970 /nfs/dbraw/zinc/97/39/70/1097973970.db2.gz KCIHHJPWVXGANS-ZDUSSCGKSA-N 1 0 307.397 3.250 20 5 DGBDRO CC[N@@H+]1CCN(Cc2ccc3ccc4cccnc4c3n2)[C@H](C)C1 ZINC001232227188 1097974181 /nfs/dbraw/zinc/97/41/81/1097974181.db2.gz HIARJJLGHYFGHM-OAHLLOKOSA-N 1 0 320.440 3.309 20 5 DGBDRO C[C@H]([NH2+]C[Si](C)(C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001175890632 1098189160 /nfs/dbraw/zinc/18/91/60/1098189160.db2.gz HRZHAGHVZGNWDC-AWEZNQCLSA-N 1 0 314.461 3.400 20 5 DGBDRO COc1ccc(Nc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC001176361353 1098331830 /nfs/dbraw/zinc/33/18/30/1098331830.db2.gz AABGYWOBWJDOSV-UHFFFAOYSA-N 1 0 315.373 3.451 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC001233747471 1098421205 /nfs/dbraw/zinc/42/12/05/1098421205.db2.gz RGGWBAVYTPWXCO-VIFPVBQESA-N 1 0 321.299 3.118 20 5 DGBDRO CCOC(=O)c1cc2oc(C)cc2c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001233870886 1098446392 /nfs/dbraw/zinc/44/63/92/1098446392.db2.gz KPKSGCJUMUJWJZ-CYBMUJFWSA-N 1 0 320.409 3.391 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1-c1ccn(C)n1 ZINC001233880694 1098449394 /nfs/dbraw/zinc/44/93/94/1098449394.db2.gz WUFNQDXJEVPXIR-LBPRGKRZSA-N 1 0 308.833 3.214 20 5 DGBDRO Cc1cc(Br)cc(O[C@@H](C)C[N+](C)(C)C)c1F ZINC001234229958 1098518713 /nfs/dbraw/zinc/51/87/13/1098518713.db2.gz UIXSBEYXHWLTES-JTQLQIEISA-N 1 0 305.211 3.370 20 5 DGBDRO COc1cc(O[C@@H](C)C[N+](C)(C)C)ccc1OC(F)(F)F ZINC001234936945 1098717733 /nfs/dbraw/zinc/71/77/33/1098717733.db2.gz OOTXIGDAFAWBEZ-JTQLQIEISA-N 1 0 308.320 3.067 20 5 DGBDRO Nc1c(F)cccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001178326160 1098796527 /nfs/dbraw/zinc/79/65/27/1098796527.db2.gz CNQVGHLVBODFML-UHFFFAOYSA-N 1 0 323.755 3.302 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC001178584726 1098866112 /nfs/dbraw/zinc/86/61/12/1098866112.db2.gz OFJQRIBOVHUKDC-INIZCTEOSA-N 1 0 320.433 3.490 20 5 DGBDRO COc1cc(C[NH2+]CC2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC001179110852 1099020124 /nfs/dbraw/zinc/02/01/24/1099020124.db2.gz ODXVPGHBFMXCRT-RYUDHWBXSA-N 1 0 322.405 3.471 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](OC)C1CCCC1 ZINC001179243656 1099045876 /nfs/dbraw/zinc/04/58/76/1099045876.db2.gz SGTORUZLICCTQU-QGZVFWFLSA-N 1 0 322.405 3.288 20 5 DGBDRO C[C@@H](CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[NH+](C)C ZINC001179266610 1099051880 /nfs/dbraw/zinc/05/18/80/1099051880.db2.gz RNMGDTDUYWQQNB-ZDUSSCGKSA-N 1 0 317.389 3.285 20 5 DGBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC001179304467 1099056964 /nfs/dbraw/zinc/05/69/64/1099056964.db2.gz QUWDUTABWCQYPE-UHFFFAOYSA-N 1 0 316.704 3.148 20 5 DGBDRO CCCn1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC001179579491 1099134375 /nfs/dbraw/zinc/13/43/75/1099134375.db2.gz QUWGQHMIYUQGTD-LBPRGKRZSA-N 1 0 302.378 3.361 20 5 DGBDRO Cc1cc(N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)c([N+](=O)[O-])s1 ZINC001187921704 1099635365 /nfs/dbraw/zinc/63/53/65/1099635365.db2.gz YYSBFGDXHDCZGA-IYBDPMFKSA-N 1 0 321.446 3.277 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCOC(F)(F)F)C1CC1 ZINC001192388025 1100613843 /nfs/dbraw/zinc/61/38/43/1100613843.db2.gz DTXJDSTYJZCQDO-UHFFFAOYSA-N 1 0 318.295 3.486 20 5 DGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001194194392 1100891499 /nfs/dbraw/zinc/89/14/99/1100891499.db2.gz ZZAWVKWISUJQDT-WFASDCNBSA-N 1 0 310.419 3.237 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC001194458356 1100942672 /nfs/dbraw/zinc/94/26/72/1100942672.db2.gz RODPWCHGXRMJIZ-GFWSLJDESA-N 1 0 314.332 3.022 20 5 DGBDRO CCCN(CC[NH+]1CCCCCC1)Cc1cccnc1[N+](=O)[O-] ZINC001194782480 1101001445 /nfs/dbraw/zinc/00/14/45/1101001445.db2.gz SGSCCUBQXUHBJS-UHFFFAOYSA-N 1 0 320.437 3.078 20 5 DGBDRO CCC[NH2+][C@H](C)c1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001326513860 1103350791 /nfs/dbraw/zinc/35/07/91/1103350791.db2.gz XRWBXVMOCWVORA-LLVKDONJSA-N 1 0 304.350 3.322 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CC1CCC(O)CC1)C1CC1 ZINC001327554932 1103681782 /nfs/dbraw/zinc/68/17/82/1103681782.db2.gz PDDVXFYCYDAOFZ-UHFFFAOYSA-N 1 0 304.390 3.110 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001327983971 1103793264 /nfs/dbraw/zinc/79/32/64/1103793264.db2.gz YDRXCGOKQGQXSS-JKSUJKDBSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@]12CCC[NH2+]C2 ZINC001246653085 1104649751 /nfs/dbraw/zinc/64/97/51/1104649751.db2.gz QVWUPVHODGONHL-MAUKXSAKSA-N 1 0 317.433 3.134 20 5 DGBDRO CC(C)CN([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001246954418 1104752361 /nfs/dbraw/zinc/75/23/61/1104752361.db2.gz ZITDXTWCEOWNDB-DOTOQJQBSA-N 1 0 319.449 3.236 20 5 DGBDRO C[NH+](C)Cc1ccc2[nH]c(-c3ccc([N+](=O)[O-])s3)nc2c1 ZINC001250896685 1105601849 /nfs/dbraw/zinc/60/18/49/1105601849.db2.gz NGXUYDLAHHBIFW-UHFFFAOYSA-N 1 0 302.359 3.261 20 5 DGBDRO Cc1[nH]c(-c2nc3cc(C[NH+](C)C)ccc3[nH]2)c(C)c1[N+](=O)[O-] ZINC001251802736 1105697875 /nfs/dbraw/zinc/69/78/75/1105697875.db2.gz UNWDXCZYTHNILB-UHFFFAOYSA-N 1 0 313.361 3.145 20 5 DGBDRO CCOC(CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])OCC ZINC001254533257 1106097000 /nfs/dbraw/zinc/09/70/00/1106097000.db2.gz ZEZCOOAHMPOLBP-AWEZNQCLSA-N 1 0 324.421 3.295 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(Cl)n1 ZINC001254538475 1106097903 /nfs/dbraw/zinc/09/79/03/1106097903.db2.gz VYOWTRLKZFAGHX-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)c1ccccc1 ZINC001254537672 1106098159 /nfs/dbraw/zinc/09/81/59/1106098159.db2.gz FXDKSHPEDVVFLA-RDTXWAMCSA-N 1 0 314.385 3.239 20 5 DGBDRO CCCCN(CC)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254535376 1106098368 /nfs/dbraw/zinc/09/83/68/1106098368.db2.gz IVDLCJSMOCRLSG-HNNXBMFYSA-N 1 0 307.438 3.237 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC001254539703 1106098847 /nfs/dbraw/zinc/09/88/47/1106098847.db2.gz JYPVKKMODIBAAP-CVEARBPZSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cc(CC[NH3+])c2ncccc21 ZINC001254539685 1106098970 /nfs/dbraw/zinc/09/89/70/1106098970.db2.gz JIBYIIDCAIFQAK-CYBMUJFWSA-N 1 0 324.384 3.249 20 5 DGBDRO CCOC1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254543245 1106099418 /nfs/dbraw/zinc/09/94/18/1106099418.db2.gz CYXXINGMANLOBU-IUDNXUCKSA-N 1 0 306.406 3.463 20 5 DGBDRO COc1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ccc1F ZINC001254542494 1106099801 /nfs/dbraw/zinc/09/98/01/1106099801.db2.gz OILVLHBGCKPVPP-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncc(Cl)s1 ZINC001254545262 1106100724 /nfs/dbraw/zinc/10/07/24/1106100724.db2.gz BZACHNFHFHSBQN-SECBINFHSA-N 1 0 311.794 3.426 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001254551855 1106101160 /nfs/dbraw/zinc/10/11/60/1106101160.db2.gz GKRHRNBCUJGBOV-JJRVBVJISA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001254551697 1106101304 /nfs/dbraw/zinc/10/13/04/1106101304.db2.gz DHWJCFBNGLEQCI-CKEIUWERSA-N 1 0 304.390 3.027 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC001254550710 1106101717 /nfs/dbraw/zinc/10/17/17/1106101717.db2.gz PJNPPWZTDLFMSN-HNNXBMFYSA-N 1 0 317.433 3.086 20 5 DGBDRO CO[C@@H]1CCC[C@@H]2C[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254556412 1106103451 /nfs/dbraw/zinc/10/34/51/1106103451.db2.gz KVTXMSILOWPRIY-NYCLONFESA-N 1 0 318.417 3.273 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001254562362 1106104244 /nfs/dbraw/zinc/10/42/44/1106104244.db2.gz KXCDXWXAWKVNBR-HOCLYGCPSA-N 1 0 311.385 3.410 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCOc2ccccc2C1 ZINC001254562504 1106104351 /nfs/dbraw/zinc/10/43/51/1106104351.db2.gz MJHYKHVALUDLRL-CQSZACIVSA-N 1 0 312.369 3.420 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001254560111 1106104386 /nfs/dbraw/zinc/10/43/86/1106104386.db2.gz PEVSUSLSECXMDO-UKRRQHHQSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@@H]([NH3+])c1nc2ccccc2n1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566262 1106105201 /nfs/dbraw/zinc/10/52/01/1106105201.db2.gz JCVMSONKXNFRTR-ABAIWWIYSA-N 1 0 322.368 3.304 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCOc1ccccc1)C2 ZINC001254574900 1106106775 /nfs/dbraw/zinc/10/67/75/1106106775.db2.gz LVCUOCCFJDOGGQ-MRXNPFEDSA-N 1 0 312.369 3.121 20 5 DGBDRO [NH3+]Cc1ccc2ccn([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)c2c1 ZINC001254572391 1106106993 /nfs/dbraw/zinc/10/69/93/1106106993.db2.gz MAGTWHKSQNPLJN-QGZVFWFLSA-N 1 0 307.353 3.348 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573071 1106107010 /nfs/dbraw/zinc/10/70/10/1106107010.db2.gz WHYQYYPNNFAQOY-SJKOYZFVSA-N 1 0 314.360 3.422 20 5 DGBDRO Cc1nc([C@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC001254581045 1106108400 /nfs/dbraw/zinc/10/84/00/1106108400.db2.gz IJRFYAGQZABPIE-ZANVPECISA-N 1 0 303.387 3.178 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1ccc(F)cc1F)C2 ZINC001254582788 1106108598 /nfs/dbraw/zinc/10/85/98/1106108598.db2.gz XFJAREHHROJJLI-HNNXBMFYSA-N 1 0 318.323 3.173 20 5 DGBDRO Cc1noc2ccc(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc12 ZINC001254585725 1106109305 /nfs/dbraw/zinc/10/93/05/1106109305.db2.gz NIPAKAIXGIIKFD-OAHLLOKOSA-N 1 0 323.352 3.301 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc3cccnc31)C2 ZINC001254589464 1106109939 /nfs/dbraw/zinc/10/99/39/1106109939.db2.gz PCJIKSFKLXGALB-QGZVFWFLSA-N 1 0 319.364 3.400 20 5 DGBDRO COc1ccccc1C[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600460 1106110698 /nfs/dbraw/zinc/11/06/98/1106110698.db2.gz PXVUANPWONINKF-KRWDZBQOSA-N 1 0 312.369 3.203 20 5 DGBDRO C[N@H+](Cc1cccc(F)c1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600665 1106110977 /nfs/dbraw/zinc/11/09/77/1106110977.db2.gz UTGSOXJUZPYRIL-KRWDZBQOSA-N 1 0 300.333 3.333 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCc3ccc(F)cc3C1)C2 ZINC001254604768 1106111812 /nfs/dbraw/zinc/11/18/12/1106111812.db2.gz XNAYPJDAWPWGNM-GOSISDBHSA-N 1 0 312.344 3.259 20 5 DGBDRO C[N@H+](Cc1cccc(F)c1F)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254608700 1106112494 /nfs/dbraw/zinc/11/24/94/1106112494.db2.gz SJMZUPNGECWHNN-OAHLLOKOSA-N 1 0 318.323 3.472 20 5 DGBDRO COc1cc(N2CCC([NH2+]C3(C)CCC3)CC2)ccc1[N+](=O)[O-] ZINC001256085208 1106367303 /nfs/dbraw/zinc/36/73/03/1106367303.db2.gz LQZJGQJAOKIJQQ-UHFFFAOYSA-N 1 0 319.405 3.104 20 5 DGBDRO Cc1c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc2c[nH+]cn21 ZINC001320263001 1106943119 /nfs/dbraw/zinc/94/31/19/1106943119.db2.gz OJSFOJQNHJXLBX-NSHDSACASA-N 1 0 324.340 3.042 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC001321144284 1107264244 /nfs/dbraw/zinc/26/42/44/1107264244.db2.gz VDENMCHRMYWOGD-TZMCWYRMSA-N 1 0 310.419 3.319 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC001261601849 1107486294 /nfs/dbraw/zinc/48/62/94/1107486294.db2.gz CCQJJHLFPYISKX-GMNPVEAJSA-N 1 0 311.332 3.261 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC001474664934 1107497441 /nfs/dbraw/zinc/49/74/41/1107497441.db2.gz LCBMSAIORUAKDN-WDTWZTHCSA-N 1 0 318.417 3.462 20 5 DGBDRO COc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC001322159155 1107548892 /nfs/dbraw/zinc/54/88/92/1107548892.db2.gz PSPICECDFCBDLB-CHWSQXEVSA-N 1 0 310.419 3.319 20 5 DGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC001262057034 1107597824 /nfs/dbraw/zinc/59/78/24/1107597824.db2.gz HJMAFUXJUNWOFM-UHFFFAOYSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001322417674 1107668666 /nfs/dbraw/zinc/66/86/66/1107668666.db2.gz ZRRNQPTWPQDXIF-QLFBSQMISA-N 1 0 318.421 3.140 20 5 DGBDRO CS[C@H]1CC[C@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001318763984 1108188947 /nfs/dbraw/zinc/18/89/47/1108188947.db2.gz DNMKRKNOLNRFGN-JSGCOSHPSA-N 1 0 320.418 3.118 20 5 DGBDRO CCCC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC001319035105 1108287731 /nfs/dbraw/zinc/28/77/31/1108287731.db2.gz GTDRDNHIUSCJEO-UHFFFAOYSA-N 1 0 302.378 3.414 20 5 DGBDRO CCN(CCC[NH+](CC)CC)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001307096008 1111265189 /nfs/dbraw/zinc/26/51/89/1111265189.db2.gz CGHLAZAKMQNUSE-UHFFFAOYSA-N 1 0 319.409 3.029 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001307178130 1111275466 /nfs/dbraw/zinc/27/54/66/1111275466.db2.gz RIUDURLMKUMHOS-HOTGVXAUSA-N 1 0 309.369 3.058 20 5 DGBDRO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C ZINC001307488537 1111305390 /nfs/dbraw/zinc/30/53/90/1111305390.db2.gz CODXKGLXMGMLPB-AOOOYVTPSA-N 1 0 313.195 3.445 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001308136798 1111382295 /nfs/dbraw/zinc/38/22/95/1111382295.db2.gz XLEACGFKTILEIQ-MNOVXSKESA-N 1 0 316.361 3.484 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001308134904 1111382327 /nfs/dbraw/zinc/38/23/27/1111382327.db2.gz QJMIFGMOPBLUCD-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001308136800 1111382335 /nfs/dbraw/zinc/38/23/35/1111382335.db2.gz XLEACGFKTILEIQ-QWRGUYRKSA-N 1 0 316.361 3.484 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC001308194440 1111394733 /nfs/dbraw/zinc/39/47/33/1111394733.db2.gz FPOZKCLGDXSUJL-ZDUSSCGKSA-N 1 0 302.378 3.093 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1 ZINC001308200035 1111396586 /nfs/dbraw/zinc/39/65/86/1111396586.db2.gz RVKGOXVXXMWGKL-UKRRQHHQSA-N 1 0 319.449 3.422 20 5 DGBDRO COc1ccccc1OCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001308250548 1111404372 /nfs/dbraw/zinc/40/43/72/1111404372.db2.gz VDLYDJSSCBDXCG-UHFFFAOYSA-N 1 0 316.357 3.162 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001308275016 1111409161 /nfs/dbraw/zinc/40/91/61/1111409161.db2.gz WYGYFJGBFDPHLV-CVEARBPZSA-N 1 0 312.369 3.324 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC001308302085 1111413760 /nfs/dbraw/zinc/41/37/60/1111413760.db2.gz RZAHTUKOAXHQMS-UHFFFAOYSA-N 1 0 304.390 3.424 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001308637617 1111454381 /nfs/dbraw/zinc/45/43/81/1111454381.db2.gz OBHVFTBLECCKTG-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc4cc[nH]c4c3)nc2c1 ZINC001308721369 1111465893 /nfs/dbraw/zinc/46/58/93/1111465893.db2.gz FCCFKLNHNXNJDY-UHFFFAOYSA-N 1 0 321.340 3.242 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC001308751654 1111470099 /nfs/dbraw/zinc/47/00/99/1111470099.db2.gz LIEHRRKJBYVDEP-YJBOKZPZSA-N 1 0 317.433 3.270 20 5 DGBDRO Cc1cc(N[C@H](C)CC[S@](C)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272874679 210265377 /nfs/dbraw/zinc/26/53/77/210265377.db2.gz UDCWKKXQHWVKNS-STFLBKPXSA-N 1 0 321.402 3.020 20 5 DGBDRO CCOC1CC(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000286539865 219044400 /nfs/dbraw/zinc/04/44/00/219044400.db2.gz UHBIXCHPUPICGK-UHFFFAOYSA-N 1 0 304.390 3.374 20 5 DGBDRO C[C@@H]1C[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[C@H](C)O1 ZINC000414259081 230720505 /nfs/dbraw/zinc/72/05/05/230720505.db2.gz FMHHNRUMWGKLAP-DLTLXFJOSA-N 1 0 318.417 3.319 20 5 DGBDRO Cc1cc(NC[C@@H](C)C[C@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272862194 210256490 /nfs/dbraw/zinc/25/64/90/210256490.db2.gz QOBWCPHHLIMMGT-JQWIXIFHSA-N 1 0 303.362 3.270 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000317733368 231163740 /nfs/dbraw/zinc/16/37/40/231163740.db2.gz ROOXVVUISKUKLG-RYUDHWBXSA-N 1 0 300.362 3.038 20 5 DGBDRO Cc1cc(NC[C@H]2CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272849944 210244749 /nfs/dbraw/zinc/24/47/49/210244749.db2.gz ONSSOLZURDEXPK-GFCCVEGCSA-N 1 0 301.346 3.290 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000320458859 231195064 /nfs/dbraw/zinc/19/50/64/231195064.db2.gz DLDJWSKNPQQQMT-YPMHNXCESA-N 1 0 318.295 3.103 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000320458852 231195623 /nfs/dbraw/zinc/19/56/23/231195623.db2.gz DLDJWSKNPQQQMT-AAEUAGOBSA-N 1 0 318.295 3.103 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000427845817 529418328 /nfs/dbraw/zinc/41/83/28/529418328.db2.gz FYQIXWXUDCXQAK-UGFHNGPFSA-N 1 0 324.446 3.215 20 5 DGBDRO CC[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000413048348 529497898 /nfs/dbraw/zinc/49/78/98/529497898.db2.gz ARSPHHOJQPXSGX-AWEZNQCLSA-N 1 0 314.389 3.429 20 5 DGBDRO CCc1ccccc1[C@@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1F ZINC000415073043 529611759 /nfs/dbraw/zinc/61/17/59/529611759.db2.gz YWCGTWFXJKDVJS-KRWDZBQOSA-N 1 0 317.364 3.086 20 5 DGBDRO CCc1ccccc1[C@H]([NH3+])CNCc1csc([N+](=O)[O-])c1 ZINC000415063916 529617049 /nfs/dbraw/zinc/61/70/49/529617049.db2.gz JCVZDQZUPPXBSV-CQSZACIVSA-N 1 0 305.403 3.008 20 5 DGBDRO Cc1nccn1CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278206741 214023821 /nfs/dbraw/zinc/02/38/21/214023821.db2.gz HECQLWLWBAHMFW-QGZVFWFLSA-N 1 0 314.389 3.157 20 5 DGBDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090519562 185300073 /nfs/dbraw/zinc/30/00/73/185300073.db2.gz VDZQXSZDALKQEN-SUMWQHHRSA-N 1 0 300.358 3.287 20 5 DGBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538762 185301600 /nfs/dbraw/zinc/30/16/00/185301600.db2.gz CWPLGEJFXIFTMF-LBPRGKRZSA-N 1 0 314.345 3.197 20 5 DGBDRO CN(C)[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417345107 282247678 /nfs/dbraw/zinc/24/76/78/282247678.db2.gz SZXQXAMBDPGBRH-QZTJIDSGSA-N 1 0 317.433 3.292 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1ccncc1 ZINC000181472725 199302140 /nfs/dbraw/zinc/30/21/40/199302140.db2.gz JWAHLVGZOFQYNE-UHFFFAOYSA-N 1 0 315.373 3.063 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000411216751 529871602 /nfs/dbraw/zinc/87/16/02/529871602.db2.gz FPLOMUWBGKQXOO-UHFFFAOYSA-N 1 0 317.389 3.044 20 5 DGBDRO Cc1c(NC(=O)CC[NH+]2[C@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000104078532 432013656 /nfs/dbraw/zinc/01/36/56/432013656.db2.gz RDBMQGDDNVPSHI-CHWSQXEVSA-N 1 0 319.405 3.495 20 5 DGBDRO CCOC(=O)CCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181832779 199359309 /nfs/dbraw/zinc/35/93/09/199359309.db2.gz NJQNAGHPQNFISV-ZDUSSCGKSA-N 1 0 308.378 3.287 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000181976167 199370171 /nfs/dbraw/zinc/37/01/71/199370171.db2.gz PXHWHWBGJBVKTL-BONVTDFDSA-N 1 0 322.311 3.257 20 5 DGBDRO Cc1ccnc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000272660622 210063814 /nfs/dbraw/zinc/06/38/14/210063814.db2.gz BUWMEZVUVTZISK-KBPBESRZSA-N 1 0 318.421 3.363 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(NCC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000277683126 213689838 /nfs/dbraw/zinc/68/98/38/213689838.db2.gz FSTCQALHGSYCMA-UHFFFAOYSA-N 1 0 311.332 3.159 20 5 DGBDRO CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130359299 432021783 /nfs/dbraw/zinc/02/17/83/432021783.db2.gz OVFWMWNXQRIHBB-ZDUSSCGKSA-N 1 0 305.378 3.044 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](CC(C)C)[NH+](C)C ZINC000080544038 192165974 /nfs/dbraw/zinc/16/59/74/192165974.db2.gz NPCVVJITOSSRDB-HNNXBMFYSA-N 1 0 309.410 3.129 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCCC1 ZINC000150322394 186056908 /nfs/dbraw/zinc/05/69/08/186056908.db2.gz JJNYHGZXQJPJRN-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000237489400 186296762 /nfs/dbraw/zinc/29/67/62/186296762.db2.gz JIHHQFKIKXYLTB-CYBMUJFWSA-N 1 0 300.358 3.411 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000130616673 432027235 /nfs/dbraw/zinc/02/72/35/432027235.db2.gz XIKYGXQPTYGROL-AWEZNQCLSA-N 1 0 324.384 3.444 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000072697405 191215624 /nfs/dbraw/zinc/21/56/24/191215624.db2.gz XVUGROPKMQQLPE-OKILXGFUSA-N 1 0 319.405 3.495 20 5 DGBDRO Cc1ccc([C@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000174724863 198376229 /nfs/dbraw/zinc/37/62/29/198376229.db2.gz PMGZEOGBUACHRC-QGZVFWFLSA-N 1 0 300.358 3.069 20 5 DGBDRO CC(C)(O)C(C)(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453372214 535271337 /nfs/dbraw/zinc/27/13/37/535271337.db2.gz SCLHSMDYKOGQJR-HNNXBMFYSA-N 1 0 306.406 3.359 20 5 DGBDRO CC(C)[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000179140831 432044306 /nfs/dbraw/zinc/04/43/06/432044306.db2.gz XZNWCOQILCWMJY-UWWQBHOKSA-N 1 0 320.433 3.303 20 5 DGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280324780 215541747 /nfs/dbraw/zinc/54/17/47/215541747.db2.gz PRWCNDFLJWWYLX-VXGBXAGGSA-N 1 0 322.796 3.227 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000164847350 432052310 /nfs/dbraw/zinc/05/23/10/432052310.db2.gz HVWKEFRYBWFYPI-LBPRGKRZSA-N 1 0 314.341 3.217 20 5 DGBDRO CC[C@@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179322530 432054106 /nfs/dbraw/zinc/05/41/06/432054106.db2.gz ZQQRXKOXVJOROY-GFCCVEGCSA-N 1 0 302.378 3.226 20 5 DGBDRO Cc1ccc2ncc(CN(C)Cc3ccccc3[N+](=O)[O-])n2c1 ZINC000179316930 432054180 /nfs/dbraw/zinc/05/41/80/432054180.db2.gz PTMUMHFIKQEEMM-UHFFFAOYSA-N 1 0 310.357 3.183 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC000165470127 432055703 /nfs/dbraw/zinc/05/57/03/432055703.db2.gz PTNDLBZNDSIXQO-LBPRGKRZSA-N 1 0 302.296 3.458 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179697150 432067338 /nfs/dbraw/zinc/06/73/38/432067338.db2.gz SQACXJGLZITODX-UHFFFAOYSA-N 1 0 316.332 3.392 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCn2ccnc2)c2ccccc2)c1 ZINC000179991828 432075229 /nfs/dbraw/zinc/07/52/29/432075229.db2.gz KJDHPIAWGHIPEN-GOSISDBHSA-N 1 0 322.368 3.171 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000180862480 199220246 /nfs/dbraw/zinc/22/02/46/199220246.db2.gz QTAKCVFCJRIVEC-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 ZINC000170686338 432077496 /nfs/dbraw/zinc/07/74/96/432077496.db2.gz XWRSWINLWRXGPT-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO C/C=C/C[C@@H](CO)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186506478 199966303 /nfs/dbraw/zinc/96/63/03/199966303.db2.gz XQPWWPTZUMALPE-QTBIZSAISA-N 1 0 318.417 3.223 20 5 DGBDRO C[C@@H]1CCCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000187936698 200179112 /nfs/dbraw/zinc/17/91/12/200179112.db2.gz XCTWKAWCDNJRTM-CYBMUJFWSA-N 1 0 305.378 3.045 20 5 DGBDRO C[C@H]1CCCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000187936725 200179382 /nfs/dbraw/zinc/17/93/82/200179382.db2.gz XCTWKAWCDNJRTM-ZDUSSCGKSA-N 1 0 305.378 3.045 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H](C)C1 ZINC000187918768 200176351 /nfs/dbraw/zinc/17/63/51/200176351.db2.gz YAYILPBVFDFVRY-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313964 237610636 /nfs/dbraw/zinc/61/06/36/237610636.db2.gz XPELOTCLUUBHSE-DTJNWYTMSA-N 1 0 324.446 3.109 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)OCC)cc1[N+](=O)[O-] ZINC000188689177 200288027 /nfs/dbraw/zinc/28/80/27/200288027.db2.gz SIQJORQHARXTTH-LBPRGKRZSA-N 1 0 310.394 3.459 20 5 DGBDRO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180435378 432086964 /nfs/dbraw/zinc/08/69/64/432086964.db2.gz KUAJCQXMJJUJIR-MCIONIFRSA-N 1 0 319.405 3.035 20 5 DGBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000189100144 200348554 /nfs/dbraw/zinc/34/85/54/200348554.db2.gz ZKFPDPCIENQXPS-WDEREUQCSA-N 1 0 321.402 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000189184230 200361291 /nfs/dbraw/zinc/36/12/91/200361291.db2.gz XSKNPNZYZNZOOB-KRWDZBQOSA-N 1 0 304.390 3.028 20 5 DGBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134918890 432089465 /nfs/dbraw/zinc/08/94/65/432089465.db2.gz VWFMVXIRXDYJLF-CRAIPNDOSA-N 1 0 315.417 3.044 20 5 DGBDRO CC(C)[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180552522 432090091 /nfs/dbraw/zinc/09/00/91/432090091.db2.gz FXYYONIWTDPYSF-ROUUACIJSA-N 1 0 314.385 3.291 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429014869 238038684 /nfs/dbraw/zinc/03/86/84/238038684.db2.gz ZNLCVQBYHIQKOP-ATNYBXOESA-N 1 0 317.433 3.318 20 5 DGBDRO C[C@@H](CCO)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180582348 432091218 /nfs/dbraw/zinc/09/12/18/432091218.db2.gz FUBAQLMZJLETKB-SUMWQHHRSA-N 1 0 300.358 3.045 20 5 DGBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCSC1 ZINC000433188126 238149719 /nfs/dbraw/zinc/14/97/19/238149719.db2.gz LJPRBYNHBQDEGU-OAHLLOKOSA-N 1 0 324.446 3.247 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433804909 238168178 /nfs/dbraw/zinc/16/81/78/238168178.db2.gz SIZOZBZCEYWKRU-MRXNPFEDSA-N 1 0 319.405 3.170 20 5 DGBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449680210 240365686 /nfs/dbraw/zinc/36/56/86/240365686.db2.gz SVDAUFBSEMIKDG-STQMWFEESA-N 1 0 302.378 3.093 20 5 DGBDRO O=[N+]([O-])c1cccc(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000435726735 238341057 /nfs/dbraw/zinc/34/10/57/238341057.db2.gz RLKLMUIHBBCUFA-GOSISDBHSA-N 1 0 317.433 3.482 20 5 DGBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292807148 223254670 /nfs/dbraw/zinc/25/46/70/223254670.db2.gz OHBOYKDORDMIKB-WFASDCNBSA-N 1 0 316.357 3.200 20 5 DGBDRO Nc1ccc([N+](=O)[O-])c(NCCCCC[NH+]2CCCCC2)c1 ZINC000193427922 201049532 /nfs/dbraw/zinc/04/95/32/201049532.db2.gz CFKPBDJQXDQCQT-UHFFFAOYSA-N 1 0 306.410 3.245 20 5 DGBDRO Cc1ccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000189852110 432097683 /nfs/dbraw/zinc/09/76/83/432097683.db2.gz SASRFDXWFLKFOX-GOSISDBHSA-N 1 0 314.385 3.291 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000441184689 239019355 /nfs/dbraw/zinc/01/93/55/239019355.db2.gz WQEAYPCATBGIOS-UONOGXRCSA-N 1 0 322.405 3.493 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000271862098 209277069 /nfs/dbraw/zinc/27/70/69/209277069.db2.gz KMZKUOOCBNSVBM-BRWVUGGUSA-N 1 0 316.401 3.075 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000441387335 239046374 /nfs/dbraw/zinc/04/63/74/239046374.db2.gz VVGPXWBBMCGKRC-OAHLLOKOSA-N 1 0 322.405 3.493 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000441522536 239059680 /nfs/dbraw/zinc/05/96/80/239059680.db2.gz JWRAVNREXGAYHR-CQSZACIVSA-N 1 0 322.405 3.493 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443643991 239223862 /nfs/dbraw/zinc/22/38/62/239223862.db2.gz WSZFEAOTICWOPB-CHWSQXEVSA-N 1 0 319.405 3.210 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000195505983 201397083 /nfs/dbraw/zinc/39/70/83/201397083.db2.gz COQOSQCKIJSIAN-CYBMUJFWSA-N 1 0 318.402 3.300 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCCC[C@H]21 ZINC000444684376 239323134 /nfs/dbraw/zinc/32/31/34/239323134.db2.gz MDGLHYFJBKFJFG-PVXIVEMSSA-N 1 0 314.389 3.482 20 5 DGBDRO CC[C@H](O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180786931 432101100 /nfs/dbraw/zinc/10/11/00/432101100.db2.gz HZZWERNUKRTTJA-ZWKOTPCHSA-N 1 0 314.385 3.435 20 5 DGBDRO Cc1ccc2nc(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])cn2c1 ZINC000449131268 240031481 /nfs/dbraw/zinc/03/14/81/240031481.db2.gz LHTRIYLMGWZHTI-AWEZNQCLSA-N 1 0 324.384 3.272 20 5 DGBDRO Cc1nc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])sc1C ZINC000449195689 240061656 /nfs/dbraw/zinc/06/16/56/240061656.db2.gz RHKQXLZHNGKJJN-LLVKDONJSA-N 1 0 319.430 3.431 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000449209890 240069777 /nfs/dbraw/zinc/06/97/77/240069777.db2.gz RCIOKCGZSBOTPH-ODVANORSSA-N 1 0 316.401 3.073 20 5 DGBDRO COc1cnccc1[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449269173 240100768 /nfs/dbraw/zinc/10/07/68/240100768.db2.gz MIPSIRPQQIBPIV-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000449277556 240104786 /nfs/dbraw/zinc/10/47/86/240104786.db2.gz GDBISJCTDMWRAU-KDOFPFPSSA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC12CCOCC2 ZINC000449307382 240123578 /nfs/dbraw/zinc/12/35/78/240123578.db2.gz OZZCAWAWYAZTHW-PBHICJAKSA-N 1 0 318.417 3.465 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000449245926 240090049 /nfs/dbraw/zinc/09/00/49/240090049.db2.gz CUQMNYHCMWQVIV-LSDHHAIUSA-N 1 0 320.433 3.304 20 5 DGBDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449380541 240166783 /nfs/dbraw/zinc/16/67/83/240166783.db2.gz NSHVQACGNCOLNV-SNVBAGLBSA-N 1 0 324.274 3.181 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](OC)[C@H](C)CC ZINC000449400271 240176214 /nfs/dbraw/zinc/17/62/14/240176214.db2.gz HTWBZXDLEZCGGE-MLGOLLRUSA-N 1 0 310.394 3.144 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000449497817 240247905 /nfs/dbraw/zinc/24/79/05/240247905.db2.gz ARHSSGMVKQJYLP-GDBMZVCRSA-N 1 0 324.808 3.135 20 5 DGBDRO CCO[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449493525 240243964 /nfs/dbraw/zinc/24/39/64/240243964.db2.gz LOOXNOSRSGQVKM-WLTZEOLESA-N 1 0 304.390 3.355 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cs1 ZINC000449542642 240276818 /nfs/dbraw/zinc/27/68/18/240276818.db2.gz QVCZXUYZFJGWNC-ZIAGYGMSSA-N 1 0 319.386 3.061 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c(Cl)c1 ZINC000449557542 240287234 /nfs/dbraw/zinc/28/72/34/240287234.db2.gz UYVDZQGDSCBTAC-LALPHHSUSA-N 1 0 324.808 3.231 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H]1CCOC1 ZINC000449686884 240369614 /nfs/dbraw/zinc/36/96/14/240369614.db2.gz YTPYRLCHNTZQSR-CABCVRRESA-N 1 0 306.406 3.322 20 5 DGBDRO COCC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCC1 ZINC000449738781 240392139 /nfs/dbraw/zinc/39/21/39/240392139.db2.gz FLMVOLDCNCWZCS-SOFGYWHQSA-N 1 0 304.390 3.404 20 5 DGBDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000171128759 432106273 /nfs/dbraw/zinc/10/62/73/432106273.db2.gz LFOISFAWIHRLJM-RYUDHWBXSA-N 1 0 320.389 3.376 20 5 DGBDRO COc1cc(C[NH2+][C@H]2CCc3c2cccc3O)ccc1[N+](=O)[O-] ZINC000451181611 241034609 /nfs/dbraw/zinc/03/46/09/241034609.db2.gz VRHSMFFMRPTGIE-AWEZNQCLSA-N 1 0 314.341 3.086 20 5 DGBDRO Cc1ccnc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451542874 241164649 /nfs/dbraw/zinc/16/46/49/241164649.db2.gz AMZACCSOMFHOKS-OAHLLOKOSA-N 1 0 312.373 3.073 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3CCCCO3)C2)cc1 ZINC000451559591 241175834 /nfs/dbraw/zinc/17/58/34/241175834.db2.gz HHKWTVDJBMPVLV-NVXWUHKLSA-N 1 0 304.390 3.343 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451696301 241208627 /nfs/dbraw/zinc/20/86/27/241208627.db2.gz PHHOTXOSFRRAPA-KBUPBQIOSA-N 1 0 304.390 3.139 20 5 DGBDRO CCOc1cc(C[N@H+](C)[C@H](CO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000451789598 241234766 /nfs/dbraw/zinc/23/47/66/241234766.db2.gz MNTFCVIHIYKXMK-AWEZNQCLSA-N 1 0 324.421 3.222 20 5 DGBDRO CCC(CC)(CC)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000081156716 283910724 /nfs/dbraw/zinc/91/07/24/283910724.db2.gz VNTJDWQSXNAHJX-UHFFFAOYSA-N 1 0 307.394 3.400 20 5 DGBDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135305465 432110777 /nfs/dbraw/zinc/11/07/77/432110777.db2.gz QZHMKKCKZLSRTC-HNNXBMFYSA-N 1 0 319.405 3.094 20 5 DGBDRO CCC[C@H]([NH2+]C1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000319940435 283927686 /nfs/dbraw/zinc/92/76/86/283927686.db2.gz SGGLISLDMZTWPJ-KRWDZBQOSA-N 1 0 319.405 3.037 20 5 DGBDRO CCn1ccnc1[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000455088139 242105144 /nfs/dbraw/zinc/10/51/44/242105144.db2.gz ZGFSJDNRKLMDGY-NSHDSACASA-N 1 0 317.349 3.002 20 5 DGBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135328619 432112283 /nfs/dbraw/zinc/11/22/83/432112283.db2.gz GWMKRKJBBZIFNC-SWLSCSKDSA-N 1 0 319.405 3.094 20 5 DGBDRO CC(C)CO[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091964174 284004279 /nfs/dbraw/zinc/00/42/79/284004279.db2.gz VASZFHLIXZYZDH-BIENSFFJSA-N 1 0 304.390 3.355 20 5 DGBDRO CC(C)CO[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091964175 284004364 /nfs/dbraw/zinc/00/43/64/284004364.db2.gz VASZFHLIXZYZDH-YERXGYGTSA-N 1 0 304.390 3.355 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093770369 284014438 /nfs/dbraw/zinc/01/44/38/284014438.db2.gz YOMNMAICXYYTPF-INIZCTEOSA-N 1 0 319.449 3.492 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000246300811 432116458 /nfs/dbraw/zinc/11/64/58/432116458.db2.gz DRJUORFXDKTCCP-XJKSGUPXSA-N 1 0 322.405 3.117 20 5 DGBDRO COC1CCC([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000459668263 243449713 /nfs/dbraw/zinc/44/97/13/243449713.db2.gz BMDSTRWLWLDKKN-IUDNXUCKSA-N 1 0 306.406 3.463 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000459617595 243433065 /nfs/dbraw/zinc/43/30/65/243433065.db2.gz RDMSUNFSKYGPGW-SUMWQHHRSA-N 1 0 319.405 3.400 20 5 DGBDRO CCC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCC1 ZINC000459801265 243506524 /nfs/dbraw/zinc/50/65/24/243506524.db2.gz KUHVFXWQDAPQPT-CQSZACIVSA-N 1 0 319.405 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCc3c[nH+]ccc32)cc1OC(F)F ZINC000181207720 432118447 /nfs/dbraw/zinc/11/84/47/432118447.db2.gz YCDIRKNKTCAOEJ-UHFFFAOYSA-N 1 0 307.256 3.285 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1CCOCC1 ZINC000468626332 244056026 /nfs/dbraw/zinc/05/60/26/244056026.db2.gz CCRLZOYPMUDKND-SDNWHVSQSA-N 1 0 304.390 3.404 20 5 DGBDRO CCN1CCCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468648825 244059353 /nfs/dbraw/zinc/05/93/53/244059353.db2.gz MZRCYEXJNGIXNV-OTMARIDSSA-N 1 0 317.433 3.462 20 5 DGBDRO C[N@H+](CCOc1cc(F)cc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000468398797 244038313 /nfs/dbraw/zinc/03/83/13/244038313.db2.gz DLNXCLCGYHWUEJ-UHFFFAOYSA-N 1 0 322.311 3.384 20 5 DGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468428521 244040794 /nfs/dbraw/zinc/04/07/94/244040794.db2.gz KLYZKHSUWVJDEC-JJRVBVJISA-N 1 0 308.422 3.303 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH2+]CC12CCCCC2 ZINC000470015659 244138368 /nfs/dbraw/zinc/13/83/68/244138368.db2.gz BKRSUBZIHWRYFY-VURMDHGXSA-N 1 0 315.417 3.216 20 5 DGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(N)c2F)CCCCCC1 ZINC000471255035 244210123 /nfs/dbraw/zinc/21/01/23/244210123.db2.gz YTTIHQHIFGVUJL-UHFFFAOYSA-N 1 0 324.400 3.383 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119254675 284139068 /nfs/dbraw/zinc/13/90/68/284139068.db2.gz GUQJJMODDHBSJZ-LBPRGKRZSA-N 1 0 311.813 3.164 20 5 DGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCCCCC[NH3+] ZINC000262636120 203359767 /nfs/dbraw/zinc/35/97/67/203359767.db2.gz ZNUFDVLCTVXONT-UHFFFAOYSA-N 1 0 321.421 3.241 20 5 DGBDRO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000093303940 193226588 /nfs/dbraw/zinc/22/65/88/193226588.db2.gz FJHZRMNWMZVYEB-HNNXBMFYSA-N 1 0 314.385 3.368 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCOC3)s2)cc1 ZINC000263825762 203587240 /nfs/dbraw/zinc/58/72/40/203587240.db2.gz SCCLUEWDDGMSCE-GFCCVEGCSA-N 1 0 318.398 3.449 20 5 DGBDRO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000121589211 284201434 /nfs/dbraw/zinc/20/14/34/284201434.db2.gz OCSVCWIXAOCZHP-LSDHHAIUSA-N 1 0 305.422 3.367 20 5 DGBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000487527955 245069930 /nfs/dbraw/zinc/06/99/30/245069930.db2.gz ROMOYZVKXSQYBI-BETUJISGSA-N 1 0 315.373 3.037 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[C@@H]1C ZINC000488059535 245140784 /nfs/dbraw/zinc/14/07/84/245140784.db2.gz BYILMPXJJSMNBS-LRDDRELGSA-N 1 0 310.369 3.371 20 5 DGBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000488070312 245142274 /nfs/dbraw/zinc/14/22/74/245142274.db2.gz GCKPPHRFHKJFHW-GJZGRUSLSA-N 1 0 322.405 3.111 20 5 DGBDRO CCOC(=O)CCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000271736438 209169443 /nfs/dbraw/zinc/16/94/43/209169443.db2.gz ZWYNFLBQRCKCEV-ZDUSSCGKSA-N 1 0 308.378 3.369 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)O ZINC000274782427 211931191 /nfs/dbraw/zinc/93/11/91/211931191.db2.gz LDUUQNHUERJJLB-GFCCVEGCSA-N 1 0 312.435 3.216 20 5 DGBDRO C[C@H]([NH2+]CCCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268725650 432126283 /nfs/dbraw/zinc/12/62/83/432126283.db2.gz QWOHOZSFSHNZAC-NSHDSACASA-N 1 0 306.387 3.356 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000268725569 432126787 /nfs/dbraw/zinc/12/67/87/432126787.db2.gz QNGWEXGKDCKOJX-GUYCJALGSA-N 1 0 300.358 3.287 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000268767304 432127775 /nfs/dbraw/zinc/12/77/75/432127775.db2.gz CIMDALYEDADBFJ-CXAGYDPISA-N 1 0 300.358 3.287 20 5 DGBDRO Cc1cnc(NC[C@@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000266198660 205177056 /nfs/dbraw/zinc/17/70/56/205177056.db2.gz ITQCCWGELOFNRJ-ZDUSSCGKSA-N 1 0 306.391 3.075 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCSC2)c(Cl)c1 ZINC000288383675 220122965 /nfs/dbraw/zinc/12/29/65/220122965.db2.gz GHVGCLARFVNXIZ-SNVBAGLBSA-N 1 0 300.811 3.481 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)C(C)(C)C ZINC000181480652 432131528 /nfs/dbraw/zinc/13/15/28/432131528.db2.gz XAVLHRFJVWNOHF-INIZCTEOSA-N 1 0 324.421 3.269 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CCO)C2CCCCC2)cc1 ZINC000181506600 432132745 /nfs/dbraw/zinc/13/27/45/432132745.db2.gz BTTWRHGQBSFELF-KRWDZBQOSA-N 1 0 306.406 3.058 20 5 DGBDRO Cc1c(C[N@H+](CCO)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000494253008 246127714 /nfs/dbraw/zinc/12/77/14/246127714.db2.gz DGDAEPKJOOBGQN-UHFFFAOYSA-N 1 0 318.348 3.037 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000267429177 206061470 /nfs/dbraw/zinc/06/14/70/206061470.db2.gz MCVFRLUZJOIFCE-GFCCVEGCSA-N 1 0 315.329 3.396 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCOCC2)cc(C(F)(F)F)c1 ZINC000494472305 246152856 /nfs/dbraw/zinc/15/28/56/246152856.db2.gz NXOAXISXMLQOJT-GFCCVEGCSA-N 1 0 318.295 3.272 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000268790346 432135404 /nfs/dbraw/zinc/13/54/04/432135404.db2.gz UNNKUYZUFMISBT-QGZVFWFLSA-N 1 0 311.385 3.409 20 5 DGBDRO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000268799191 432136345 /nfs/dbraw/zinc/13/63/45/432136345.db2.gz XVQTXAOJKTXCFY-CWRNSKLLSA-N 1 0 303.406 3.181 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000246508425 432138909 /nfs/dbraw/zinc/13/89/09/432138909.db2.gz ZSMYXVRIESZTPW-RDBSUJKOSA-N 1 0 317.389 3.044 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)Cn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000268832545 432144823 /nfs/dbraw/zinc/14/48/23/432144823.db2.gz RGOPJJOEGCWXJI-CJNGLKHVSA-N 1 0 302.378 3.311 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cn[nH]c1 ZINC000285263434 218357763 /nfs/dbraw/zinc/35/77/63/218357763.db2.gz QLILZDCSPFJRAT-MRVPVSSYSA-N 1 0 314.267 3.188 20 5 DGBDRO Cc1ccc2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cn2c1 ZINC000285316861 218378919 /nfs/dbraw/zinc/37/89/19/218378919.db2.gz MPCQXWMGVJGZFP-UHFFFAOYSA-N 1 0 324.384 3.225 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+](C)Cc1ccccc1 ZINC000110041011 194305240 /nfs/dbraw/zinc/30/52/40/194305240.db2.gz GUIRGFFBVBBSLB-UHFFFAOYSA-N 1 0 314.389 3.232 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000268846039 207013050 /nfs/dbraw/zinc/01/30/50/207013050.db2.gz VLWZIQVTAQVDJM-SWLSCSKDSA-N 1 0 314.389 3.365 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CC2(CCO)CCCC2)cccc1[N+](=O)[O-] ZINC000268886843 207057240 /nfs/dbraw/zinc/05/72/40/207057240.db2.gz CGUSXJIXMSBGMV-CQSZACIVSA-N 1 0 306.406 3.497 20 5 DGBDRO CCOCCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268913141 207081891 /nfs/dbraw/zinc/08/18/91/207081891.db2.gz ZMCOKYZWGJYRTD-INIZCTEOSA-N 1 0 306.406 3.322 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000268971438 207136017 /nfs/dbraw/zinc/13/60/17/207136017.db2.gz NCNJIIDTQWZRRA-YFCVBGDOSA-N 1 0 302.374 3.299 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268979908 207140457 /nfs/dbraw/zinc/14/04/57/207140457.db2.gz CBWXXALXAPYBRH-DETPVDSQSA-N 1 0 303.406 3.037 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268979912 207141140 /nfs/dbraw/zinc/14/11/40/207141140.db2.gz CBWXXALXAPYBRH-PVXIVEMSSA-N 1 0 303.406 3.037 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000057943408 184063601 /nfs/dbraw/zinc/06/36/01/184063601.db2.gz VTZDGXFHGXIOTO-RSUWNVLCSA-N 1 0 319.405 3.336 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC2(CCO)CCCC2)cc1[N+](=O)[O-] ZINC000269003563 207159038 /nfs/dbraw/zinc/15/90/38/207159038.db2.gz VKWLROUBHYWEMR-CQSZACIVSA-N 1 0 306.406 3.497 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000269058004 207207344 /nfs/dbraw/zinc/20/73/44/207207344.db2.gz STBULUNRRXSGGG-WBMJQRKESA-N 1 0 318.373 3.141 20 5 DGBDRO CC[C@@H]([NH2+]CCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000269075957 207223681 /nfs/dbraw/zinc/22/36/81/207223681.db2.gz YIOBKMIPVPXRGS-OAHLLOKOSA-N 1 0 300.362 3.143 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000119872947 195053292 /nfs/dbraw/zinc/05/32/92/195053292.db2.gz SPVDGSGZTJDJFK-LBPRGKRZSA-N 1 0 306.391 3.075 20 5 DGBDRO CCC[C@@H]([NH2+]CCN1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000336867743 253014522 /nfs/dbraw/zinc/01/45/22/253014522.db2.gz UAIIJTJMTIQSIY-MRXNPFEDSA-N 1 0 323.462 3.074 20 5 DGBDRO COCC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCC1 ZINC000337264913 253073922 /nfs/dbraw/zinc/07/39/22/253073922.db2.gz SVHABUNSVUCHCT-NTEUORMPSA-N 1 0 304.390 3.404 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000337283755 253078695 /nfs/dbraw/zinc/07/86/95/253078695.db2.gz JBECKTADIPALEZ-STQMWFEESA-N 1 0 300.305 3.153 20 5 DGBDRO C[C@H](C1CCC1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337305961 253083154 /nfs/dbraw/zinc/08/31/54/253083154.db2.gz ULHYCPHLSHCELS-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1O ZINC000249884508 285090466 /nfs/dbraw/zinc/09/04/66/285090466.db2.gz IAHXVWCILFKLMX-MLGOLLRUSA-N 1 0 316.357 3.058 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000337864983 253185583 /nfs/dbraw/zinc/18/55/83/253185583.db2.gz KKQAKTXHJUDCBK-UHFFFAOYSA-N 1 0 322.368 3.129 20 5 DGBDRO C[C@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC000120181875 195113711 /nfs/dbraw/zinc/11/37/11/195113711.db2.gz FTIFVQMJWBJFEE-INIZCTEOSA-N 1 0 302.330 3.123 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120191603 195115628 /nfs/dbraw/zinc/11/56/28/195115628.db2.gz PHCFLSTZTXNEPJ-CYBMUJFWSA-N 1 0 322.409 3.063 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000272990150 210371392 /nfs/dbraw/zinc/37/13/92/210371392.db2.gz QABOVYGXENTBLP-ZIAGYGMSSA-N 1 0 318.421 3.363 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000272990147 210370892 /nfs/dbraw/zinc/37/08/92/210370892.db2.gz QABOVYGXENTBLP-KBPBESRZSA-N 1 0 318.421 3.363 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000272990149 210370577 /nfs/dbraw/zinc/37/05/77/210370577.db2.gz QABOVYGXENTBLP-UONOGXRCSA-N 1 0 318.421 3.363 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCOC1 ZINC000271062727 208594054 /nfs/dbraw/zinc/59/40/54/208594054.db2.gz CJIKRNPDBANOCP-KBPBESRZSA-N 1 0 324.446 3.482 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCCCOC)cc1[N+](=O)[O-] ZINC000271192456 208706960 /nfs/dbraw/zinc/70/69/60/208706960.db2.gz XVBIZTBGZBSZOG-CYBMUJFWSA-N 1 0 310.394 3.461 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000286357473 285156357 /nfs/dbraw/zinc/15/63/57/285156357.db2.gz WXGNTCJHSKIWJP-IUODEOHRSA-N 1 0 319.380 3.187 20 5 DGBDRO C[C@@H](C1CC1)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000158021903 197235591 /nfs/dbraw/zinc/23/55/91/197235591.db2.gz OINUDFFPCLZDCF-LBPRGKRZSA-N 1 0 314.389 3.226 20 5 DGBDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157729907 197210831 /nfs/dbraw/zinc/21/08/31/197210831.db2.gz RYBMYDOZZQLZBR-NSHDSACASA-N 1 0 308.769 3.138 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000343262024 254121261 /nfs/dbraw/zinc/12/12/61/254121261.db2.gz VRXURFLZYXLVAJ-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1cccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157445527 197188287 /nfs/dbraw/zinc/18/82/87/197188287.db2.gz GFJQBUGDUZPRNI-MRXNPFEDSA-N 1 0 303.406 3.045 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000255670455 285172588 /nfs/dbraw/zinc/17/25/88/285172588.db2.gz OEZMTDWKMVNHDH-MFBWXBCUSA-N 1 0 302.374 3.109 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000343976830 254208238 /nfs/dbraw/zinc/20/82/38/254208238.db2.gz RTEJMSRZPFUXSB-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO CCOc1cc(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343799999 254190231 /nfs/dbraw/zinc/19/02/31/254190231.db2.gz XVMNMBCDUXOTGH-DZGCQCFKSA-N 1 0 319.405 3.057 20 5 DGBDRO CC[C@]1(C)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000344206823 254239309 /nfs/dbraw/zinc/23/93/09/254239309.db2.gz ALXKSRPXKJMBDL-MRXNPFEDSA-N 1 0 316.361 3.267 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[N@@H+](C(C)C)CC1 ZINC000344221304 254241114 /nfs/dbraw/zinc/24/11/14/254241114.db2.gz PMJZNMLVRYACHA-OAHLLOKOSA-N 1 0 305.422 3.380 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000344370857 254262957 /nfs/dbraw/zinc/26/29/57/254262957.db2.gz NUDJFFRZTYUJDN-KRWDZBQOSA-N 1 0 316.357 3.371 20 5 DGBDRO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156971508 197154001 /nfs/dbraw/zinc/15/40/01/197154001.db2.gz ZQJCNEILRUKXRI-CQSZACIVSA-N 1 0 321.421 3.202 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CO)CCCC1 ZINC000344836013 254309143 /nfs/dbraw/zinc/30/91/43/254309143.db2.gz RGHMFAGDWJIXGM-NTEUORMPSA-N 1 0 304.390 3.140 20 5 DGBDRO Cc1ccc(C[NH2+]CCc2c[nH]c3ncccc23)cc1[N+](=O)[O-] ZINC000344841614 254309779 /nfs/dbraw/zinc/30/97/79/254309779.db2.gz AESNBSDEEJGANC-UHFFFAOYSA-N 1 0 310.357 3.112 20 5 DGBDRO CC(C)n1cc2c(n1)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000345013544 254323148 /nfs/dbraw/zinc/32/31/48/254323148.db2.gz BSMIMBHFUXHGNT-HNNXBMFYSA-N 1 0 314.389 3.019 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000271493510 208954637 /nfs/dbraw/zinc/95/46/37/208954637.db2.gz JOIGNSHMBBWXFH-TWZYUJDSSA-N 1 0 304.390 3.401 20 5 DGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289845390 285243899 /nfs/dbraw/zinc/24/38/99/285243899.db2.gz PPXWBHDPNAQGDC-LKEBIXNSSA-N 1 0 315.417 3.167 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000154022050 196931397 /nfs/dbraw/zinc/93/13/97/196931397.db2.gz DRJMRNOTJCLVJS-TZMCWYRMSA-N 1 0 310.394 3.051 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000153624131 196894328 /nfs/dbraw/zinc/89/43/28/196894328.db2.gz YMRVYXYHGUNELX-QWHCGFSZSA-N 1 0 321.421 3.127 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000271565832 209018456 /nfs/dbraw/zinc/01/84/56/209018456.db2.gz XUWAPMTXARNWPA-IUODEOHRSA-N 1 0 314.389 3.306 20 5 DGBDRO Cc1cc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)[nH]n1 ZINC000271595449 209042218 /nfs/dbraw/zinc/04/22/18/209042218.db2.gz GVVSZHSVBPZPMX-UHFFFAOYSA-N 1 0 314.389 3.314 20 5 DGBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289489329 221013456 /nfs/dbraw/zinc/01/34/56/221013456.db2.gz JHRIPMICJIDSCS-NSHDSACASA-N 1 0 321.204 3.398 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)Cc1ccccc1 ZINC000305770145 285301811 /nfs/dbraw/zinc/30/18/11/285301811.db2.gz NTPWQNIUBSMYTK-IYOUNJFTSA-N 1 0 314.385 3.238 20 5 DGBDRO CC(C)n1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000289521361 221037005 /nfs/dbraw/zinc/03/70/05/221037005.db2.gz PKQOXLCCLIAFGX-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000289770871 221214457 /nfs/dbraw/zinc/21/44/57/221214457.db2.gz LJCNHEYQJCCKHN-GFCCVEGCSA-N 1 0 322.409 3.007 20 5 DGBDRO CCC[C@H]([NH2+]CCc1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000289982529 221360634 /nfs/dbraw/zinc/36/06/34/221360634.db2.gz XYBXTWILKOQNRJ-AWEZNQCLSA-N 1 0 320.418 3.428 20 5 DGBDRO Cn1cc(C[NH2+][C@@H]2CCC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290213554 221495288 /nfs/dbraw/zinc/49/52/88/221495288.db2.gz WCGQUOBEVZFOTF-OAHLLOKOSA-N 1 0 314.389 3.274 20 5 DGBDRO CC(C)c1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000352535699 285353669 /nfs/dbraw/zinc/35/36/69/285353669.db2.gz UMJMPIZQZMEMLU-OAHLLOKOSA-N 1 0 305.422 3.422 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CCCOC1 ZINC000470169327 533380534 /nfs/dbraw/zinc/38/05/34/533380534.db2.gz DJSOERQJUWSVHR-IHWMJMDHSA-N 1 0 304.390 3.357 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C)(CO)CC1 ZINC000470203547 533406891 /nfs/dbraw/zinc/40/68/91/533406891.db2.gz CXGOMSHEUJSECA-GXDHUFHOSA-N 1 0 304.390 3.093 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000470181501 533407777 /nfs/dbraw/zinc/40/77/77/533407777.db2.gz DEPUVPIOWAVTIU-NOPRJXFKSA-N 1 0 304.390 3.091 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCCCCC1 ZINC000468644719 533408680 /nfs/dbraw/zinc/40/86/80/533408680.db2.gz FYHPKRUPBAALTJ-DTQAZKPQSA-N 1 0 317.433 3.464 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)CC(C)(C)C ZINC000468624015 533409276 /nfs/dbraw/zinc/40/92/76/533409276.db2.gz ZMLRHBUSXRYSDO-WDBUWWRISA-N 1 0 306.406 3.385 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449589442 533409328 /nfs/dbraw/zinc/40/93/28/533409328.db2.gz MTAUQGBHHZFFQE-QSNQCMLGSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1 ZINC000305770570 533506569 /nfs/dbraw/zinc/50/65/69/533506569.db2.gz OXNFMJLHFOEBBQ-IYOUNJFTSA-N 1 0 314.385 3.238 20 5 DGBDRO C[C@@H](O)CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000433081299 533597895 /nfs/dbraw/zinc/59/78/95/533597895.db2.gz GNZGZWARKJGVJR-RDTXWAMCSA-N 1 0 314.385 3.435 20 5 DGBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000272551667 130041282 /nfs/dbraw/zinc/04/12/82/130041282.db2.gz KRSZQASGGSRDDI-DZGCQCFKSA-N 1 0 323.392 3.149 20 5 DGBDRO O=[N+]([O-])c1cccnc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000129651697 296516942 /nfs/dbraw/zinc/51/69/42/296516942.db2.gz UOFGNMUDVFYXEK-UHFFFAOYSA-N 1 0 318.421 3.082 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C1(OC)CCC1 ZINC000595052018 400090572 /nfs/dbraw/zinc/09/05/72/400090572.db2.gz PMEMYUJHVCWDDN-NWDGAFQWSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000595051755 400090627 /nfs/dbraw/zinc/09/06/27/400090627.db2.gz NRXVKMXFQGPBRE-QWHCGFSZSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@@H](OC)C1CC1 ZINC000595052097 400090692 /nfs/dbraw/zinc/09/06/92/400090692.db2.gz QOAIUILXNQQOFI-LYOVBCGYSA-N 1 0 308.378 3.068 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1(CO)CC1 ZINC000595068070 400097789 /nfs/dbraw/zinc/09/77/89/400097789.db2.gz ODBYGVZJCJXZKX-QWHCGFSZSA-N 1 0 324.446 3.216 20 5 DGBDRO CC[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000595076736 400100617 /nfs/dbraw/zinc/10/06/17/400100617.db2.gz IWSDBQWMYATYGV-MRXNPFEDSA-N 1 0 314.389 3.447 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCOC(C)(C)C ZINC000595077431 400100654 /nfs/dbraw/zinc/10/06/54/400100654.db2.gz RMYMKLFVGYQTSU-GFCCVEGCSA-N 1 0 310.394 3.459 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000595290988 400118480 /nfs/dbraw/zinc/11/84/80/400118480.db2.gz PDDLUOKXHUDVPM-UHFFFAOYSA-N 1 0 321.396 3.042 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000595088564 400102029 /nfs/dbraw/zinc/10/20/29/400102029.db2.gz JQMGIVPDMKKRQQ-OCCSQVGLSA-N 1 0 322.405 3.053 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCc2ccco2)n1 ZINC000595092970 400104220 /nfs/dbraw/zinc/10/42/20/400104220.db2.gz BZEYJWPHWHASCI-GJZGRUSLSA-N 1 0 318.377 3.090 20 5 DGBDRO CCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000595097373 400104851 /nfs/dbraw/zinc/10/48/51/400104851.db2.gz URCQAKOKIRALKK-UKRRQHHQSA-N 1 0 321.421 3.128 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]1(C)CC1(C)C ZINC000595106574 400107715 /nfs/dbraw/zinc/10/77/15/400107715.db2.gz VJFWUEHSXJJFAM-BZNIZROVSA-N 1 0 305.378 3.090 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595289908 400118822 /nfs/dbraw/zinc/11/88/22/400118822.db2.gz RFWSIPKSLUAKKM-CQSZACIVSA-N 1 0 301.346 3.098 20 5 DGBDRO CC1(C)OCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595109106 400108877 /nfs/dbraw/zinc/10/88/77/400108877.db2.gz UDWRFFDXGFTSHL-HOTGVXAUSA-N 1 0 318.417 3.321 20 5 DGBDRO CN(CC(C)(C)[NH3+])C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000595231890 400111382 /nfs/dbraw/zinc/11/13/82/400111382.db2.gz GDIKHWOVNDVSAE-UHFFFAOYSA-N 1 0 322.409 3.093 20 5 DGBDRO CC[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000584834335 400111710 /nfs/dbraw/zinc/11/17/10/400111710.db2.gz JYQHGJZPQJXIEJ-KBPBESRZSA-N 1 0 319.405 3.482 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000595023047 400079605 /nfs/dbraw/zinc/07/96/05/400079605.db2.gz WVCAKWYTFAKADY-FRRDWIJNSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)C1CCCCC1 ZINC000595025483 400080320 /nfs/dbraw/zinc/08/03/20/400080320.db2.gz HXPRUPDGERZAQJ-WBMJQRKESA-N 1 0 322.405 3.195 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)C1CCCCC1 ZINC000595025481 400080596 /nfs/dbraw/zinc/08/05/96/400080596.db2.gz HXPRUPDGERZAQJ-LRDDRELGSA-N 1 0 322.405 3.195 20 5 DGBDRO C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000090891719 400082574 /nfs/dbraw/zinc/08/25/74/400082574.db2.gz DRMYONHVMQRPPX-SJCJKPOMSA-N 1 0 318.348 3.292 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000595033480 400084225 /nfs/dbraw/zinc/08/42/25/400084225.db2.gz MBXJLVATRPEGBC-TZMCWYRMSA-N 1 0 308.378 3.213 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000595035396 400084236 /nfs/dbraw/zinc/08/42/36/400084236.db2.gz ITNSHLLVQKBJKI-NEPJUHHUSA-N 1 0 308.378 3.212 20 5 DGBDRO COCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000595038316 400085088 /nfs/dbraw/zinc/08/50/88/400085088.db2.gz JHVCFHVTEJVMOK-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000595524069 400177007 /nfs/dbraw/zinc/17/70/07/400177007.db2.gz QCRLGNMLYNRYDJ-INIZCTEOSA-N 1 0 324.396 3.401 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000595534819 400179130 /nfs/dbraw/zinc/17/91/30/400179130.db2.gz TZWMZVBWFOOIPG-DOTOQJQBSA-N 1 0 322.380 3.107 20 5 DGBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])s2)C[C@@H]1Cc1ccccc1 ZINC000588053396 400184074 /nfs/dbraw/zinc/18/40/74/400184074.db2.gz FHAIUCHJEPDIBO-AWEZNQCLSA-N 1 0 317.414 3.019 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000595296128 400120471 /nfs/dbraw/zinc/12/04/71/400120471.db2.gz IWCXJIMTRQHJRR-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO CN(Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000595550311 400185413 /nfs/dbraw/zinc/18/54/13/400185413.db2.gz GXHILKVQVLVBPL-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000091457717 400121418 /nfs/dbraw/zinc/12/14/18/400121418.db2.gz ZIQCUZAVGRUQPV-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000595333201 400128440 /nfs/dbraw/zinc/12/84/40/400128440.db2.gz NDSXXOVBOJRDQR-INIZCTEOSA-N 1 0 308.353 3.127 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000595329298 400128464 /nfs/dbraw/zinc/12/84/64/400128464.db2.gz PVWCHNVBLNDRQF-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000609146005 400145071 /nfs/dbraw/zinc/14/50/71/400145071.db2.gz JSRSHTRTMJIGIS-UHFFFAOYSA-N 1 0 316.332 3.040 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595442836 400152524 /nfs/dbraw/zinc/15/25/24/400152524.db2.gz WUNBCFGCQTZKCY-ZBFHGGJFSA-N 1 0 310.369 3.417 20 5 DGBDRO C/C(=C\c1ccccc1)CN(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595454686 400154791 /nfs/dbraw/zinc/15/47/91/400154791.db2.gz NNPASNCZZDBOFQ-FMIVXFBMSA-N 1 0 301.346 3.427 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC000586790802 400157597 /nfs/dbraw/zinc/15/75/97/400157597.db2.gz OTFMOXHMMNQIRR-SNVBAGLBSA-N 1 0 313.313 3.292 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCc2ccccc2CC1 ZINC000609705589 400187839 /nfs/dbraw/zinc/18/78/39/400187839.db2.gz TZLTZVMWNAYJIS-UHFFFAOYSA-N 1 0 312.369 3.074 20 5 DGBDRO Cc1noc(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595475845 400163117 /nfs/dbraw/zinc/16/31/17/400163117.db2.gz PHVUHNFFHFXQIH-INIZCTEOSA-N 1 0 319.336 3.194 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000595489200 400166575 /nfs/dbraw/zinc/16/65/75/400166575.db2.gz QPCPFVNPRADLGZ-CYBMUJFWSA-N 1 0 301.321 3.118 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505233 400170328 /nfs/dbraw/zinc/17/03/28/400170328.db2.gz QZRXCJJCZSRFLN-CRAIPNDOSA-N 1 0 317.433 3.382 20 5 DGBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595676735 400224292 /nfs/dbraw/zinc/22/42/92/400224292.db2.gz NSJWEVMBANSESH-RISCZKNCSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595677565 400224550 /nfs/dbraw/zinc/22/45/50/400224550.db2.gz PAXHNFYMNIYPRP-IAQYHMDHSA-N 1 0 312.797 3.231 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000025280448 400232417 /nfs/dbraw/zinc/23/24/17/400232417.db2.gz NUBWQLUNVNQKPP-MRXNPFEDSA-N 1 0 303.337 3.449 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588865026 400237320 /nfs/dbraw/zinc/23/73/20/400237320.db2.gz BAJITXLUOHPKSO-LBPRGKRZSA-N 1 0 317.393 3.070 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752665 400249898 /nfs/dbraw/zinc/24/98/98/400249898.db2.gz VEFOHOJTFNQYTL-CXAGYDPISA-N 1 0 304.390 3.201 20 5 DGBDRO CN(C)c1ccccc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000588978511 400252427 /nfs/dbraw/zinc/25/24/27/400252427.db2.gz DZWDKUFJWBHUPL-UHFFFAOYSA-N 1 0 313.401 3.335 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000595567014 400191379 /nfs/dbraw/zinc/19/13/79/400191379.db2.gz QXBYASCGLXQWTB-XEZPLFJOSA-N 1 0 317.389 3.105 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000092687121 400195726 /nfs/dbraw/zinc/19/57/26/400195726.db2.gz BMXZAXDFKJLMPV-CQSZACIVSA-N 1 0 306.410 3.078 20 5 DGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000609840001 400195879 /nfs/dbraw/zinc/19/58/79/400195879.db2.gz XHYQPOPNRDPTNY-AWEZNQCLSA-N 1 0 305.378 3.084 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595592110 400196494 /nfs/dbraw/zinc/19/64/94/400196494.db2.gz BFCXFEIIJBUXSI-SNVBAGLBSA-N 1 0 313.785 3.307 20 5 DGBDRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595601112 400198556 /nfs/dbraw/zinc/19/85/56/400198556.db2.gz NBENRYSOWAGOAS-HNNXBMFYSA-N 1 0 314.389 3.245 20 5 DGBDRO CCC(C)(C)[C@H](C)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000595642725 400216948 /nfs/dbraw/zinc/21/69/48/400216948.db2.gz RMZCICITQMIYLM-NSHDSACASA-N 1 0 308.378 3.296 20 5 DGBDRO CC(C)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000589161982 400267967 /nfs/dbraw/zinc/26/79/67/400267967.db2.gz DCIMHMFSHCTWAW-XDTLVQLUSA-N 1 0 320.311 3.193 20 5 DGBDRO CCC[NH+](CCC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000027269932 400268553 /nfs/dbraw/zinc/26/85/53/400268553.db2.gz XRJIVDZESUSDDJ-UHFFFAOYSA-N 1 0 313.785 3.309 20 5 DGBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC(F)CC1 ZINC000595820703 400270010 /nfs/dbraw/zinc/27/00/10/400270010.db2.gz VAVLYNKPBKEIKW-VOMCLLRMSA-N 1 0 320.368 3.478 20 5 DGBDRO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000027284853 400270753 /nfs/dbraw/zinc/27/07/53/400270753.db2.gz RFPMTVOZTOKNIK-UHFFFAOYSA-N 1 0 305.378 3.188 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000068659186 400277009 /nfs/dbraw/zinc/27/70/09/400277009.db2.gz PGWKUWOXGXKKQL-OAHLLOKOSA-N 1 0 318.352 3.152 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCc3ncccc32)cc1 ZINC000601269655 400279533 /nfs/dbraw/zinc/27/95/33/400279533.db2.gz KHGSDWCFLZFVQO-KRWDZBQOSA-N 1 0 313.357 3.036 20 5 DGBDRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000030269449 400323739 /nfs/dbraw/zinc/32/37/39/400323739.db2.gz JLODBIDXYANACH-JTQLQIEISA-N 1 0 313.785 3.307 20 5 DGBDRO Cc1ccc([C@@H](C)NC(=O)C[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000595928368 400296358 /nfs/dbraw/zinc/29/63/58/400296358.db2.gz CCWUIDFDHJBTTI-KGLIPLIRSA-N 1 0 321.421 3.092 20 5 DGBDRO [NH3+]CC1(CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000404673917 400296520 /nfs/dbraw/zinc/29/65/20/400296520.db2.gz FHCSVZUIEAPTLQ-UHFFFAOYSA-N 1 0 303.284 3.155 20 5 DGBDRO COC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102418956 400298125 /nfs/dbraw/zinc/29/81/25/400298125.db2.gz WPHLNEAJPQCTJG-NSHDSACASA-N 1 0 306.387 3.448 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CC2CCCCC2)c1 ZINC000589494121 400300428 /nfs/dbraw/zinc/30/04/28/400300428.db2.gz FASDGEVLHTUWMT-UHFFFAOYSA-N 1 0 320.389 3.394 20 5 DGBDRO CCn1nccc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000596094813 400314990 /nfs/dbraw/zinc/31/49/90/400314990.db2.gz MKTMBCFGHHFCAQ-KRWDZBQOSA-N 1 0 314.389 3.369 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)CCC(C)CC1 ZINC000596093734 400315785 /nfs/dbraw/zinc/31/57/85/400315785.db2.gz FRXRNJQPCUYIQU-TVIZTDCDSA-N 1 0 306.406 3.495 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(O)CCC(C)CC1 ZINC000596097467 400317100 /nfs/dbraw/zinc/31/71/00/400317100.db2.gz XENUFVLOZHYCGV-JZLYGMAVSA-N 1 0 322.405 3.195 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595784533 400258133 /nfs/dbraw/zinc/25/81/33/400258133.db2.gz AZUAFKRUOUCTOT-RDJZCZTQSA-N 1 0 304.390 3.376 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595782220 400258185 /nfs/dbraw/zinc/25/81/85/400258185.db2.gz HWAVCGRFBMVSPD-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000030145386 400321372 /nfs/dbraw/zinc/32/13/72/400321372.db2.gz WGYIFZYOUIFLKR-LBPRGKRZSA-N 1 0 316.361 3.267 20 5 DGBDRO CC(C)C[NH+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000026646995 400260833 /nfs/dbraw/zinc/26/08/33/400260833.db2.gz XSHLKCRQENQPOF-UHFFFAOYSA-N 1 0 307.394 3.147 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](CC(C)C)CC(C)C ZINC000026647088 400260865 /nfs/dbraw/zinc/26/08/65/400260865.db2.gz JJASDFLIYMCEKD-UHFFFAOYSA-N 1 0 321.421 3.456 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000611350378 400383173 /nfs/dbraw/zinc/38/31/73/400383173.db2.gz KIQHTTVFNFYOFN-IRXDYDNUSA-N 1 0 318.417 3.276 20 5 DGBDRO COCC1(C)CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611351363 400383741 /nfs/dbraw/zinc/38/37/41/400383741.db2.gz IBPFDXBUQZYDHD-UHFFFAOYSA-N 1 0 322.405 3.112 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000611370388 400385781 /nfs/dbraw/zinc/38/57/81/400385781.db2.gz LSANEOQYBIUDSX-XQQFMLRXSA-N 1 0 309.435 3.498 20 5 DGBDRO Cc1cc(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000596133020 400326509 /nfs/dbraw/zinc/32/65/09/400326509.db2.gz BBXQFOKUNLHAJR-UHFFFAOYSA-N 1 0 309.435 3.419 20 5 DGBDRO C[NH+](C)CCSc1c(Br)cccc1[N+](=O)[O-] ZINC000596156359 400334031 /nfs/dbraw/zinc/33/40/31/400334031.db2.gz NWZQZTIDGFTHCY-UHFFFAOYSA-N 1 0 305.197 3.011 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C(C)C)C1CCCC1 ZINC000108365390 400343379 /nfs/dbraw/zinc/34/33/79/400343379.db2.gz VYSMIYBBDZAIMU-UHFFFAOYSA-N 1 0 319.405 3.495 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C2CC2)CC1 ZINC000590008732 400347248 /nfs/dbraw/zinc/34/72/48/400347248.db2.gz ZMKOWIPFBWPOSM-GFCCVEGCSA-N 1 0 317.389 3.044 20 5 DGBDRO CC[NH+](CC)Cc1ccc(CNc2ncccc2[N+](=O)[O-])cc1 ZINC000070792800 400357569 /nfs/dbraw/zinc/35/75/69/400357569.db2.gz YZBHNUUEIVZUIL-UHFFFAOYSA-N 1 0 314.389 3.444 20 5 DGBDRO COc1ccc(OC[C@H]2CCCC[N@@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000596239700 400358010 /nfs/dbraw/zinc/35/80/10/400358010.db2.gz JYWSBKZKIGRFRA-CYBMUJFWSA-N 1 0 308.378 3.245 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C)n[nH]1 ZINC000611248447 400364094 /nfs/dbraw/zinc/36/40/94/400364094.db2.gz DROVLKZHCFLLGW-LBPRGKRZSA-N 1 0 320.418 3.287 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]3CCC[C@H]31)OCCO2 ZINC000611265443 400368669 /nfs/dbraw/zinc/36/86/69/400368669.db2.gz OOWUYECVGBKSLV-TZMCWYRMSA-N 1 0 318.373 3.131 20 5 DGBDRO CCOc1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596308470 400376159 /nfs/dbraw/zinc/37/61/59/400376159.db2.gz SQWOXJYRKMCOAZ-CYBMUJFWSA-N 1 0 307.394 3.278 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000596309375 400376727 /nfs/dbraw/zinc/37/67/27/400376727.db2.gz ZZRLHLLXEPMDFC-LBPRGKRZSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1sccc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000611307073 400377410 /nfs/dbraw/zinc/37/74/10/400377410.db2.gz PHJSCDZBZNREPR-UHFFFAOYSA-N 1 0 318.402 3.380 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000590687383 400415991 /nfs/dbraw/zinc/41/59/91/400415991.db2.gz NZENSWZLADIETN-ZDUSSCGKSA-N 1 0 314.389 3.110 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000116743688 400413421 /nfs/dbraw/zinc/41/34/21/400413421.db2.gz OFIAWCNFIIXSGJ-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000038690903 400396139 /nfs/dbraw/zinc/39/61/39/400396139.db2.gz NVWSTUUVZFSZBK-UHFFFAOYSA-N 1 0 312.369 3.422 20 5 DGBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000590568685 400397218 /nfs/dbraw/zinc/39/72/18/400397218.db2.gz JEWSXQQXZHGXNY-JOYOIKCWSA-N 1 0 317.311 3.142 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccc(CO)cc1 ZINC000611439461 400401578 /nfs/dbraw/zinc/40/15/78/400401578.db2.gz QBEMKNAEQQORBA-AWEZNQCLSA-N 1 0 314.385 3.289 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000116273068 400408978 /nfs/dbraw/zinc/40/89/78/400408978.db2.gz NPUWDUJDDJICMP-NSHDSACASA-N 1 0 310.781 3.249 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000590646744 400409020 /nfs/dbraw/zinc/40/90/20/400409020.db2.gz CUPSZQLCUJHLST-VPPNTOHZSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000611560200 400420969 /nfs/dbraw/zinc/42/09/69/400420969.db2.gz HFUYNSLTWNJUFZ-MLGOLLRUSA-N 1 0 314.389 3.053 20 5 DGBDRO Cc1cc(NC[C@@H]2CCOC2(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596537631 400439545 /nfs/dbraw/zinc/43/95/45/400439545.db2.gz CJPVJFUUQGUBGB-LBPRGKRZSA-N 1 0 315.373 3.100 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccsc1 ZINC000122339936 400460547 /nfs/dbraw/zinc/46/05/47/400460547.db2.gz XJZNINLHLWMRHW-UHFFFAOYSA-N 1 0 319.386 3.117 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000611791179 400454539 /nfs/dbraw/zinc/45/45/39/400454539.db2.gz QDHVYRYNEXXTJW-CYBMUJFWSA-N 1 0 311.813 3.211 20 5 DGBDRO CC(C)OCCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602603066 400509932 /nfs/dbraw/zinc/50/99/32/400509932.db2.gz PREQGFSBKKBKPZ-UHFFFAOYSA-N 1 0 307.350 3.031 20 5 DGBDRO CC(C)([NH2+]Cc1cccc(F)c1N)c1ccc([N+](=O)[O-])cc1 ZINC000602612776 400511671 /nfs/dbraw/zinc/51/16/71/400511671.db2.gz QRHCLKVCAQBMJS-UHFFFAOYSA-N 1 0 303.337 3.341 20 5 DGBDRO CC1(C)C[C@H](NCC2([NH3+])CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000596648654 400471973 /nfs/dbraw/zinc/47/19/73/400471973.db2.gz URAQMZMWCIVFEO-HNNXBMFYSA-N 1 0 303.406 3.178 20 5 DGBDRO CO[C@@](C)([C@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591048124 400479429 /nfs/dbraw/zinc/47/94/29/400479429.db2.gz AOJVFUVBTYDMOJ-GUYCJALGSA-N 1 0 322.405 3.157 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+]C2CCCC2)cc1Br ZINC000602506572 400482564 /nfs/dbraw/zinc/48/25/64/400482564.db2.gz ZOTDCELOQDEKES-UHFFFAOYSA-N 1 0 305.197 3.451 20 5 DGBDRO Cc1ccccc1[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000126385352 400492313 /nfs/dbraw/zinc/49/23/13/400492313.db2.gz JUHDJEIXWPJZNW-SFHVURJKSA-N 1 0 312.369 3.477 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3C[C@@H]3Cc3ccccc3)nc2c1 ZINC000602544912 400492695 /nfs/dbraw/zinc/49/26/95/400492695.db2.gz BYZAWFXGORXMSG-DZGCQCFKSA-N 1 0 323.352 3.457 20 5 DGBDRO C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602546036 400493439 /nfs/dbraw/zinc/49/34/39/400493439.db2.gz BFMIYTJLMMMXLL-HDJSIYSDSA-N 1 0 318.421 3.127 20 5 DGBDRO CC[C@H](COC)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602550152 400494203 /nfs/dbraw/zinc/49/42/03/400494203.db2.gz HWLCRIXNDGYSFX-LLVKDONJSA-N 1 0 306.284 3.128 20 5 DGBDRO CC[C@H](O)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602552060 400494991 /nfs/dbraw/zinc/49/49/91/400494991.db2.gz RXLLWHMTUAQMTE-LBPRGKRZSA-N 1 0 320.311 3.254 20 5 DGBDRO C[C@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000602553906 400495238 /nfs/dbraw/zinc/49/52/38/400495238.db2.gz XVCDALYONCPBDF-CYBMUJFWSA-N 1 0 318.295 3.130 20 5 DGBDRO CO[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000602563524 400497427 /nfs/dbraw/zinc/49/74/27/400497427.db2.gz XWPHPAFQHUQIOF-CYBMUJFWSA-N 1 0 320.311 3.374 20 5 DGBDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602564098 400498035 /nfs/dbraw/zinc/49/80/35/400498035.db2.gz LJQJAENCQKVEDL-ZANVPECISA-N 1 0 320.311 3.110 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133491686 400571077 /nfs/dbraw/zinc/57/10/77/400571077.db2.gz FPJIIUFXQUUNPF-NEPJUHHUSA-N 1 0 312.373 3.180 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000602780335 400572010 /nfs/dbraw/zinc/57/20/10/400572010.db2.gz HGFURHQESMSRQV-JSGCOSHPSA-N 1 0 318.377 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000602674143 400533854 /nfs/dbraw/zinc/53/38/54/400533854.db2.gz FLERWUXBORDBLP-OAHLLOKOSA-N 1 0 304.390 3.076 20 5 DGBDRO CC1(C)C[C@@H](NC[C@H]2CCCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000591577830 400541144 /nfs/dbraw/zinc/54/11/44/400541144.db2.gz IDNABEFCCWTVRS-MLGOLLRUSA-N 1 0 303.406 3.049 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+][C@]23C[C@H]2CCC3)cc1Br ZINC000602705334 400545297 /nfs/dbraw/zinc/54/52/97/400545297.db2.gz JLQZESJWOCMWCD-RDDDGLTNSA-N 1 0 317.208 3.451 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC000618197903 400547061 /nfs/dbraw/zinc/54/70/61/400547061.db2.gz UPLNCFBMCAGNGD-MRXNPFEDSA-N 1 0 312.369 3.256 20 5 DGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075022052 400552867 /nfs/dbraw/zinc/55/28/67/400552867.db2.gz AWUYORILFIZXPX-YPMHNXCESA-N 1 0 316.361 3.265 20 5 DGBDRO CCC[C@H](CCO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602726449 400553043 /nfs/dbraw/zinc/55/30/43/400553043.db2.gz WRGZVUHKWFAXPG-GFCCVEGCSA-N 1 0 320.311 3.254 20 5 DGBDRO Cc1c(C[NH2+][C@](C)(CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000133010025 400565913 /nfs/dbraw/zinc/56/59/13/400565913.db2.gz LUMPHBSAGIJDRE-QGZVFWFLSA-N 1 0 306.406 3.324 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000602766221 400567286 /nfs/dbraw/zinc/56/72/86/400567286.db2.gz DMOKDTYAHRRBST-OAHLLOKOSA-N 1 0 318.352 3.076 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000602768188 400569542 /nfs/dbraw/zinc/56/95/42/400569542.db2.gz XMSWUZFXONQIIO-INIZCTEOSA-N 1 0 314.389 3.245 20 5 DGBDRO O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OC[C@H]1CC[NH2+]C1 ZINC000592159971 400616960 /nfs/dbraw/zinc/61/69/60/400616960.db2.gz IATQBLNAGRTNKP-INIZCTEOSA-N 1 0 312.369 3.174 20 5 DGBDRO C[C@H]1CC2(C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592183763 400619837 /nfs/dbraw/zinc/61/98/37/400619837.db2.gz WSVCNZCXQSBRAW-AWEZNQCLSA-N 1 0 304.390 3.028 20 5 DGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357176 400638180 /nfs/dbraw/zinc/63/81/80/400638180.db2.gz SHJLMFHKENAECA-SKDRFNHKSA-N 1 0 320.374 3.256 20 5 DGBDRO CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CC1 ZINC000046856248 400582584 /nfs/dbraw/zinc/58/25/84/400582584.db2.gz HDAVWXNMUWRQAP-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000602838854 400588189 /nfs/dbraw/zinc/58/81/89/400588189.db2.gz UGJKQRGRUZFFNF-AWEZNQCLSA-N 1 0 306.410 3.192 20 5 DGBDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000597236113 400595572 /nfs/dbraw/zinc/59/55/72/400595572.db2.gz NXYJNEDOCJYYJY-RDJZCZTQSA-N 1 0 320.389 3.115 20 5 DGBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592374814 400640833 /nfs/dbraw/zinc/64/08/33/400640833.db2.gz KSGFCZUEKFSUOF-PWSUYJOCSA-N 1 0 300.786 3.135 20 5 DGBDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000597242820 400598314 /nfs/dbraw/zinc/59/83/14/400598314.db2.gz WVOVTOVXHAAKRI-DOTOQJQBSA-N 1 0 320.389 3.115 20 5 DGBDRO COc1cc(C[N@H+](C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000597252026 400600708 /nfs/dbraw/zinc/60/07/08/400600708.db2.gz HNWISPQWMBSIFP-LBPRGKRZSA-N 1 0 308.378 3.090 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000602917464 400605430 /nfs/dbraw/zinc/60/54/30/400605430.db2.gz CUXFWJRWOSKAKN-WBVHZDCISA-N 1 0 316.332 3.354 20 5 DGBDRO C[C@@H](Cc1ccsc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000049181819 400664361 /nfs/dbraw/zinc/66/43/61/400664361.db2.gz XKFMYNNPTVPHGS-LBPRGKRZSA-N 1 0 306.387 3.256 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1cccs1)[NH+](C)C ZINC000076664372 400666049 /nfs/dbraw/zinc/66/60/49/400666049.db2.gz JYBUPWDIOUFCFM-LBPRGKRZSA-N 1 0 306.391 3.075 20 5 DGBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1ccsc1[N+](=O)[O-] ZINC000603399108 400681114 /nfs/dbraw/zinc/68/11/14/400681114.db2.gz FNPUCWLKLGSUIS-UHFFFAOYSA-N 1 0 320.418 3.010 20 5 DGBDRO Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2)c2ccccc2[nH+]1 ZINC000592954317 400722705 /nfs/dbraw/zinc/72/27/05/400722705.db2.gz VFCFBESKRPANEZ-UHFFFAOYSA-N 1 0 322.368 3.397 20 5 DGBDRO CC[NH+](CC)CC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000603864272 400726608 /nfs/dbraw/zinc/72/66/08/400726608.db2.gz UGAAGHODWPRJCH-UHFFFAOYSA-N 1 0 309.385 3.292 20 5 DGBDRO O=[N+]([O-])c1ncccc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000603932095 400734155 /nfs/dbraw/zinc/73/41/55/400734155.db2.gz AFZFRLUIRMWSRQ-UHFFFAOYSA-N 1 0 318.421 3.082 20 5 DGBDRO Cc1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000618985155 400738924 /nfs/dbraw/zinc/73/89/24/400738924.db2.gz DDXXAGXUYWJGHR-HNNXBMFYSA-N 1 0 300.362 3.139 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H](CO)CC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000618986670 400739585 /nfs/dbraw/zinc/73/95/85/400739585.db2.gz DRXNHSFQIBMSGJ-LRDDRELGSA-N 1 0 304.390 3.068 20 5 DGBDRO Cc1cnn(CCCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000171916579 400810064 /nfs/dbraw/zinc/81/00/64/400810064.db2.gz GTZUEERTWJYDCD-UHFFFAOYSA-N 1 0 316.405 3.402 20 5 DGBDRO Cc1cnc(NC[C@H](c2cccc(F)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000078625660 400814718 /nfs/dbraw/zinc/81/47/18/400814718.db2.gz NREMNZCDUWSPJF-OAHLLOKOSA-N 1 0 318.352 3.152 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@H](C)CO)CC1 ZINC000593081690 400756227 /nfs/dbraw/zinc/75/62/27/400756227.db2.gz HGYWGQXGBFEONR-ZIAGYGMSSA-N 1 0 306.406 3.305 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000358153448 285984234 /nfs/dbraw/zinc/98/42/34/285984234.db2.gz IUYDFBNURRFAJC-BZNIZROVSA-N 1 0 304.321 3.118 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cncc(Cl)c1 ZINC000598618552 400844610 /nfs/dbraw/zinc/84/46/10/400844610.db2.gz YMRMOYAGRMJSKZ-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO CC(C)[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCCO1 ZINC000599085816 400955681 /nfs/dbraw/zinc/95/56/81/400955681.db2.gz FOLZFCMFVGBRLF-MRXNPFEDSA-N 1 0 315.373 3.394 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@@H]1CCCOC1)C1CC1 ZINC000599056067 400941979 /nfs/dbraw/zinc/94/19/79/400941979.db2.gz JFXNUCHLRPVSEB-YOEHRIQHSA-N 1 0 318.417 3.322 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000599060021 400943151 /nfs/dbraw/zinc/94/31/51/400943151.db2.gz LJJWCVFGSJZUNF-ACJLOTCBSA-N 1 0 312.369 3.387 20 5 DGBDRO C[NH+]1CCC(C)(CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599066799 400947066 /nfs/dbraw/zinc/94/70/66/400947066.db2.gz VHXIZYMMPLCOCP-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)CCC(C)C ZINC000599067527 400949133 /nfs/dbraw/zinc/94/91/33/400949133.db2.gz FKUJNFGCFBFFFV-QWHCGFSZSA-N 1 0 310.394 3.051 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)CCF)s1 ZINC000593689177 400892444 /nfs/dbraw/zinc/89/24/44/400892444.db2.gz KJHJYMRENZEQNG-NSHDSACASA-N 1 0 324.377 3.133 20 5 DGBDRO CC[C@@H](O)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358169085 285988430 /nfs/dbraw/zinc/98/84/30/285988430.db2.gz OWKLFJVEGLNONT-HZPDHXFCSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC2(CCC2)C1 ZINC000593693980 400892798 /nfs/dbraw/zinc/89/27/98/400892798.db2.gz GJDMAIWZJSZHHY-LBPRGKRZSA-N 1 0 317.389 3.234 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599084393 400955564 /nfs/dbraw/zinc/95/55/64/400955564.db2.gz CAVIVCLKUCTDMJ-ISTRZQFTSA-N 1 0 304.390 3.073 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000598988807 400921968 /nfs/dbraw/zinc/92/19/68/400921968.db2.gz BDGSLXSMRLWPHL-ZETNRXDVSA-N 1 0 324.380 3.339 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@]23C[C@H]2COC3(C)C)cc1[N+](=O)[O-] ZINC000598987916 400922336 /nfs/dbraw/zinc/92/23/36/400922336.db2.gz NPDRJGBZMKQYLH-SUMWQHHRSA-N 1 0 304.390 3.375 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000598994791 400923519 /nfs/dbraw/zinc/92/35/19/400923519.db2.gz RZTYOCIFIQYHRP-XBNGYDHASA-N 1 0 317.433 3.320 20 5 DGBDRO COc1cc(-c2ccc(CC[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000593955120 400926700 /nfs/dbraw/zinc/92/67/00/400926700.db2.gz YBMKCXDRNPZMLZ-UHFFFAOYSA-N 1 0 300.358 3.375 20 5 DGBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599021171 400928173 /nfs/dbraw/zinc/92/81/73/400928173.db2.gz GHKORXIQRCNWGL-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc2cnccc21 ZINC000599019484 400928865 /nfs/dbraw/zinc/92/88/65/400928865.db2.gz MFSXUBXXACJEAL-ZBFHGGJFSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000599027691 400932218 /nfs/dbraw/zinc/93/22/18/400932218.db2.gz PPLJWRMSWZCBGC-CYBMUJFWSA-N 1 0 303.387 3.261 20 5 DGBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000599034507 400933155 /nfs/dbraw/zinc/93/31/55/400933155.db2.gz SHYVUIMPOPJEFX-CYBMUJFWSA-N 1 0 323.356 3.250 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599038340 400934252 /nfs/dbraw/zinc/93/42/52/400934252.db2.gz OZNZWLXUHHYJQV-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000599084356 400955744 /nfs/dbraw/zinc/95/57/44/400955744.db2.gz BBXXLFIXIACJII-OAUYIBNBSA-N 1 0 316.401 3.474 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000599093931 400958077 /nfs/dbraw/zinc/95/80/77/400958077.db2.gz YTORLKHCZFHWDV-SZMVWBNQSA-N 1 0 312.369 3.451 20 5 DGBDRO C[C@@]1(C(F)F)CN(c2ccc3cnccc3c2[N+](=O)[O-])CCO1 ZINC000599112405 400963766 /nfs/dbraw/zinc/96/37/66/400963766.db2.gz ZQEVFOMURNAVIZ-HNNXBMFYSA-N 1 0 323.299 3.003 20 5 DGBDRO Cc1cc(NC[C@@H](c2ccccc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000080584815 400964730 /nfs/dbraw/zinc/96/47/30/400964730.db2.gz OSZXSAHMOJXEIF-HNNXBMFYSA-N 1 0 300.362 3.013 20 5 DGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000058562967 401059816 /nfs/dbraw/zinc/05/98/16/401059816.db2.gz KAVULBJVSFFRLO-UHFFFAOYSA-N 1 0 300.358 3.496 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553132 401074954 /nfs/dbraw/zinc/07/49/54/401074954.db2.gz OGSSIOXRNZWTKX-KGLIPLIRSA-N 1 0 308.403 3.073 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000594502712 401082501 /nfs/dbraw/zinc/08/25/01/401082501.db2.gz NTFVIWIJESEECT-VMGRFDJRSA-N 1 0 304.390 3.375 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1OCCc2ccccc21 ZINC000594502008 401082571 /nfs/dbraw/zinc/08/25/71/401082571.db2.gz GQEMRSNSEFALKX-IEBWSBKVSA-N 1 0 324.380 3.486 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000594501247 401083250 /nfs/dbraw/zinc/08/32/50/401083250.db2.gz XLGJLCYDSYCAFD-MRXNPFEDSA-N 1 0 314.389 3.239 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC4(CC4)CC3)nc2c1 ZINC000599673513 401107666 /nfs/dbraw/zinc/10/76/66/401107666.db2.gz RSPOCTNREOJZQV-UHFFFAOYSA-N 1 0 300.362 3.237 20 5 DGBDRO COc1cccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594603897 401128655 /nfs/dbraw/zinc/12/86/55/401128655.db2.gz WIQZQZRGXPAYLE-GXTWGEPZSA-N 1 0 305.378 3.032 20 5 DGBDRO COc1cc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000599597643 401089923 /nfs/dbraw/zinc/08/99/23/401089923.db2.gz WFVBEIHCCRXOIB-KRWDZBQOSA-N 1 0 322.405 3.024 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCc2nc(C3CC3)ncc2C1 ZINC000599616752 401091830 /nfs/dbraw/zinc/09/18/30/401091830.db2.gz CWPFFEKSSMQMSK-LBPRGKRZSA-N 1 0 324.384 3.382 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000594517994 401094607 /nfs/dbraw/zinc/09/46/07/401094607.db2.gz GBGNLQUJKLZMDX-ODEKCMFZSA-N 1 0 315.417 3.215 20 5 DGBDRO CO[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000615837573 401160490 /nfs/dbraw/zinc/16/04/90/401160490.db2.gz FPPHEDQJGLUWRB-IFCKCIONSA-N 1 0 304.390 3.499 20 5 DGBDRO [NH3+]C1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCC1 ZINC000594739840 401167623 /nfs/dbraw/zinc/16/76/23/401167623.db2.gz YTBBYXOJYOAGAV-UHFFFAOYSA-N 1 0 315.373 3.216 20 5 DGBDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594962029 401210569 /nfs/dbraw/zinc/21/05/69/401210569.db2.gz CWXWZBDRSRLGSK-UHFFFAOYSA-N 1 0 300.424 3.323 20 5 DGBDRO Cn1cc(C[NH2+]CC2=CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594990383 401221141 /nfs/dbraw/zinc/22/11/41/401221141.db2.gz PPZBTTQGQZTCRE-UHFFFAOYSA-N 1 0 312.373 3.195 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCOCC(C)C ZINC000595005066 401226580 /nfs/dbraw/zinc/22/65/80/401226580.db2.gz WSLGRZUQUIXOSE-ZDUSSCGKSA-N 1 0 310.394 3.317 20 5 DGBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000594996023 401222903 /nfs/dbraw/zinc/22/29/03/401222903.db2.gz QMHSUUWYZOMTQU-CVEARBPZSA-N 1 0 302.330 3.122 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCc1ccco1 ZINC000594996827 401223806 /nfs/dbraw/zinc/22/38/06/401223806.db2.gz FEPRRFAPPUCBIH-UHFFFAOYSA-N 1 0 304.346 3.309 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccsc1[N+](=O)[O-])Cc1ccccc1 ZINC000063256216 401184715 /nfs/dbraw/zinc/18/47/15/401184715.db2.gz VCQZVRFJZVDEFM-CYBMUJFWSA-N 1 0 305.403 3.241 20 5 DGBDRO C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000090795827 401274016 /nfs/dbraw/zinc/27/40/16/401274016.db2.gz XOUMMASRTUQLBJ-UGSOOPFHSA-N 1 0 312.369 3.079 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccc(C)o1 ZINC000595006174 401226961 /nfs/dbraw/zinc/22/69/61/401226961.db2.gz GAOYDINVBGWMCE-LBPRGKRZSA-N 1 0 304.346 3.398 20 5 DGBDRO CC[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[NH+]1CCCC1 ZINC000595006667 401226975 /nfs/dbraw/zinc/22/69/75/401226975.db2.gz HYRVKTOHNQNGPR-KBPBESRZSA-N 1 0 321.421 3.128 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C ZINC000595009367 401229500 /nfs/dbraw/zinc/22/95/00/401229500.db2.gz RKJDZMUTMPNRLK-YPMHNXCESA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCc1nccs1 ZINC000595018652 401233997 /nfs/dbraw/zinc/23/39/97/401233997.db2.gz CNESPBFTMUXOSD-LLVKDONJSA-N 1 0 321.402 3.343 20 5 DGBDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595017549 401234140 /nfs/dbraw/zinc/23/41/40/401234140.db2.gz JHVIDSCFFKGRBZ-IAQYHMDHSA-N 1 0 310.394 3.051 20 5 DGBDRO CCOC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)CC1CC1 ZINC000064343757 401234251 /nfs/dbraw/zinc/23/42/51/401234251.db2.gz ULFQQKRAJVWGTQ-UHFFFAOYSA-N 1 0 320.389 3.068 20 5 DGBDRO CC(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000065962407 401288205 /nfs/dbraw/zinc/28/82/05/401288205.db2.gz ZIXGBKLNADPKSC-JTQLQIEISA-N 1 0 313.785 3.163 20 5 DGBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000359292031 286276894 /nfs/dbraw/zinc/27/68/94/286276894.db2.gz FJJMVYXUNGOEHX-HNNXBMFYSA-N 1 0 322.796 3.432 20 5 DGBDRO Cc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000359952296 286396147 /nfs/dbraw/zinc/39/61/47/286396147.db2.gz LDGKUDQKCRSSPN-OLZOCXBDSA-N 1 0 307.369 3.105 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000179397358 164858287 /nfs/dbraw/zinc/85/82/87/164858287.db2.gz MXTFVOWTOPHOBD-ZDUSSCGKSA-N 1 0 316.357 3.466 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182202396 164932870 /nfs/dbraw/zinc/93/28/70/164932870.db2.gz LQBSQMJITAFEPV-CQSZACIVSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000187411591 165089671 /nfs/dbraw/zinc/08/96/71/165089671.db2.gz IACDNFUYISAPRS-UHFFFAOYSA-N 1 0 322.368 3.317 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191342506 165244887 /nfs/dbraw/zinc/24/48/87/165244887.db2.gz NVUFHJTZWYHEGN-ZDUSSCGKSA-N 1 0 322.409 3.063 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000246667594 432154083 /nfs/dbraw/zinc/15/40/83/432154083.db2.gz JGLAHVJWYZKMHZ-RYUDHWBXSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246927375 432180885 /nfs/dbraw/zinc/18/08/85/432180885.db2.gz GXKKBCPCLNANBN-HIFRSBDPSA-N 1 0 305.422 3.286 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150885801 432200022 /nfs/dbraw/zinc/20/00/22/432200022.db2.gz LDLNUUWPAZQNLX-HNNXBMFYSA-N 1 0 303.406 3.358 20 5 DGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCC[C@@H]1O ZINC000182463395 432192921 /nfs/dbraw/zinc/19/29/21/432192921.db2.gz ATTWOMBNNJKKNO-WFASDCNBSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000182479884 432193439 /nfs/dbraw/zinc/19/34/39/432193439.db2.gz KTJAJTUUACQJMV-IEAZIUSSSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000130438295 196084313 /nfs/dbraw/zinc/08/43/13/196084313.db2.gz KKXWBGBGTNOHQT-BXUZGUMPSA-N 1 0 323.368 3.231 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000132067772 196224302 /nfs/dbraw/zinc/22/43/02/196224302.db2.gz JYFOBSNXMOCCCY-PBHICJAKSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000133793971 196336671 /nfs/dbraw/zinc/33/66/71/196336671.db2.gz OKQSRZVSZWXZRO-INIZCTEOSA-N 1 0 314.389 3.245 20 5 DGBDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000134478884 196395189 /nfs/dbraw/zinc/39/51/89/196395189.db2.gz RGVSLTOATTXCET-QGZVFWFLSA-N 1 0 314.385 3.368 20 5 DGBDRO Cc1c([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000295853840 225313302 /nfs/dbraw/zinc/31/33/02/225313302.db2.gz FCCIRBOHCMJPCK-FFHGMXDLSA-N 1 0 303.406 3.179 20 5 DGBDRO CC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290904115 222009748 /nfs/dbraw/zinc/00/97/48/222009748.db2.gz OFWDDMMBDODOML-LBPRGKRZSA-N 1 0 307.177 3.152 20 5 DGBDRO CO[C@@](C)(C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000291128950 222158540 /nfs/dbraw/zinc/15/85/40/222158540.db2.gz GRSBWHFLFDUFNT-GUYCJALGSA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000182294062 228368136 /nfs/dbraw/zinc/36/81/36/228368136.db2.gz JPPLKEJEDWHWCH-GFCCVEGCSA-N 1 0 314.341 3.483 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)C1 ZINC000299666191 229315714 /nfs/dbraw/zinc/31/57/14/229315714.db2.gz RFWHXCPHCCOGRC-GHMZBOCLSA-N 1 0 302.334 3.048 20 5 DGBDRO Cc1cc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301459854 229678334 /nfs/dbraw/zinc/67/83/34/229678334.db2.gz YDAIECYYFRUWFT-MBNYWOFBSA-N 1 0 306.410 3.077 20 5 DGBDRO Cc1nc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301623751 229784493 /nfs/dbraw/zinc/78/44/93/229784493.db2.gz GKMPZMOFYLKLBC-BLLLJJGKSA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1cc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000302065249 230076108 /nfs/dbraw/zinc/07/61/08/230076108.db2.gz VUUIKRXNUJFTBE-UONOGXRCSA-N 1 0 318.421 3.363 20 5 DGBDRO Cc1cc(N(C)CC2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302109884 230098016 /nfs/dbraw/zinc/09/80/16/230098016.db2.gz ZBPVNDTYUMWJGE-UHFFFAOYSA-N 1 0 315.373 3.314 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000413067899 230125766 /nfs/dbraw/zinc/12/57/66/230125766.db2.gz XHRLWTPXGVNCQD-UONOGXRCSA-N 1 0 312.373 3.182 20 5 DGBDRO C[NH+](C)CC1(CNc2ncc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000302155484 230129921 /nfs/dbraw/zinc/12/99/21/230129921.db2.gz MLLKLQZZMQYFAT-UHFFFAOYSA-N 1 0 312.801 3.177 20 5 DGBDRO C[NH+](C)CC1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000302154480 230130677 /nfs/dbraw/zinc/13/06/77/230130677.db2.gz LXQNFVOQEDWPJY-UHFFFAOYSA-N 1 0 312.801 3.177 20 5 DGBDRO Cc1cc(NC[C@@H]2CCC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302209297 230163580 /nfs/dbraw/zinc/16/35/80/230163580.db2.gz XYTJEJAYOVMQBG-OCCSQVGLSA-N 1 0 315.373 3.414 20 5 DGBDRO C[C@H]1[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000413249847 230165931 /nfs/dbraw/zinc/16/59/31/230165931.db2.gz UBBYIXJODSACBC-XHDPSFHLSA-N 1 0 300.362 3.038 20 5 DGBDRO C[NH+](C)C1(CNc2nccc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000413248129 230166486 /nfs/dbraw/zinc/16/64/86/230166486.db2.gz NIERUSISEBZUHM-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO Cc1cccc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000302481848 230262729 /nfs/dbraw/zinc/26/27/29/230262729.db2.gz GYYKLLUUDPQQAT-ZIAGYGMSSA-N 1 0 321.421 3.203 20 5 DGBDRO COc1cc(C[N@H+](C)CCc2cccs2)c([N+](=O)[O-])cc1F ZINC000184224558 263608505 /nfs/dbraw/zinc/60/85/05/263608505.db2.gz FQVZIKLRCHGCQG-UHFFFAOYSA-N 1 0 324.377 3.479 20 5 DGBDRO C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000184670148 263616248 /nfs/dbraw/zinc/61/62/48/263616248.db2.gz IAHOQOMUVHGVLA-CYBMUJFWSA-N 1 0 324.384 3.375 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC1(C)C ZINC000191290756 263751907 /nfs/dbraw/zinc/75/19/07/263751907.db2.gz ZSTZSIPKOOSDFY-OAHLLOKOSA-N 1 0 319.405 3.400 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC([NH2+]CC2CC2)CC1 ZINC000347115804 264159748 /nfs/dbraw/zinc/15/97/48/264159748.db2.gz VMQPYZSPPQILLE-HYXAFXHYSA-N 1 0 315.417 3.072 20 5 DGBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000347272080 264187245 /nfs/dbraw/zinc/18/72/45/264187245.db2.gz DFNYYMTWQHXSFP-DOMZBBRYSA-N 1 0 320.389 3.102 20 5 DGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000347327629 264197451 /nfs/dbraw/zinc/19/74/51/264197451.db2.gz XLNHXCFMSDOGHT-WFASDCNBSA-N 1 0 323.824 3.307 20 5 DGBDRO COC(=O)C[C@H]1CCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347356949 264205500 /nfs/dbraw/zinc/20/55/00/264205500.db2.gz DKWOSUDZSPACBD-UZGISAJGSA-N 1 0 318.373 3.026 20 5 DGBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cc2ccccc2s1 ZINC000348189619 264361342 /nfs/dbraw/zinc/36/13/42/264361342.db2.gz XGBJXWWJKADOOM-SNVBAGLBSA-N 1 0 316.386 3.394 20 5 DGBDRO O=C(CC[N@@H+]1CCCC2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000348195466 264362584 /nfs/dbraw/zinc/36/25/84/264362584.db2.gz XGJRHGZUSXOBEY-UHFFFAOYSA-N 1 0 317.389 3.190 20 5 DGBDRO [NH3+]CCN(Cc1sccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000348904911 264467085 /nfs/dbraw/zinc/46/70/85/264467085.db2.gz OJYPFTZYJNXTJZ-UHFFFAOYSA-N 1 0 311.794 3.275 20 5 DGBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000352474375 265062244 /nfs/dbraw/zinc/06/22/44/265062244.db2.gz GKUJRKFVRZZTFD-ZDUSSCGKSA-N 1 0 321.421 3.178 20 5 DGBDRO CCCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352546662 265084468 /nfs/dbraw/zinc/08/44/68/265084468.db2.gz YMNJQKANWVPQDM-UHFFFAOYSA-N 1 0 322.405 3.385 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000352550835 265085887 /nfs/dbraw/zinc/08/58/87/265085887.db2.gz RJUIHVNJUHPFLG-UHFFFAOYSA-N 1 0 314.341 3.356 20 5 DGBDRO CC[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000352652256 265116189 /nfs/dbraw/zinc/11/61/89/265116189.db2.gz MOZZWEALSLUAIY-HNNXBMFYSA-N 1 0 314.389 3.370 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CSC[C@H]1C ZINC000352799402 265171180 /nfs/dbraw/zinc/17/11/80/265171180.db2.gz YGRJZVQYDWXAGV-RISCZKNCSA-N 1 0 310.419 3.223 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000352888912 265215455 /nfs/dbraw/zinc/21/54/55/265215455.db2.gz WHFLROHPPZGQIY-HIFRSBDPSA-N 1 0 322.405 3.119 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1O ZINC000353259887 265365441 /nfs/dbraw/zinc/36/54/41/265365441.db2.gz FKZVNWXZPJJTMC-GFCCVEGCSA-N 1 0 316.357 3.202 20 5 DGBDRO CC[C@@H]([NH2+]CCc1cccnc1OC)c1cccc([N+](=O)[O-])c1 ZINC000353538417 265458090 /nfs/dbraw/zinc/45/80/90/265458090.db2.gz HVQJMKKDHSDUSG-MRXNPFEDSA-N 1 0 315.373 3.282 20 5 DGBDRO Cc1cc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)on1 ZINC000353995926 265624277 /nfs/dbraw/zinc/62/42/77/265624277.db2.gz MGEZWKKBXFWHPL-INIZCTEOSA-N 1 0 315.373 3.045 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1CO ZINC000191180251 432230843 /nfs/dbraw/zinc/23/08/43/432230843.db2.gz PLCXXMGRVNPCOJ-MLGOLLRUSA-N 1 0 316.357 3.058 20 5 DGBDRO Cc1ccc(Cc2noc(-c3cc([N+](=O)[O-])ccc3C)n2)cn1 ZINC000356135941 266294869 /nfs/dbraw/zinc/29/48/69/266294869.db2.gz MRFFOGWMXYJSRZ-UHFFFAOYSA-N 1 0 310.313 3.247 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000172856858 432241264 /nfs/dbraw/zinc/24/12/64/432241264.db2.gz QVGPCVKSGLRFSP-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000368774963 271206906 /nfs/dbraw/zinc/20/69/06/271206906.db2.gz LZEMKKROXOFLDP-DLBZAZTESA-N 1 0 304.390 3.198 20 5 DGBDRO C[C@H](c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369669690 271308423 /nfs/dbraw/zinc/30/84/23/271308423.db2.gz DBCKMXSHJJQAHG-CYBMUJFWSA-N 1 0 300.362 3.189 20 5 DGBDRO Cc1ccccc1[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369683633 271310594 /nfs/dbraw/zinc/31/05/94/271310594.db2.gz NPDFEUMFGULXAK-AWEZNQCLSA-N 1 0 314.389 3.498 20 5 DGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000183046409 432253137 /nfs/dbraw/zinc/25/31/37/432253137.db2.gz OQDURJFWYLSGBT-QWRGUYRKSA-N 1 0 304.350 3.169 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000450866857 273716485 /nfs/dbraw/zinc/71/64/85/273716485.db2.gz YMJUQLRZKJBQQY-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO COC[C@@H]([NH2+]Cc1cc(=O)oc2ccc3ccccc3c12)C1CC1 ZINC000136658774 274044339 /nfs/dbraw/zinc/04/43/39/274044339.db2.gz KCYTVLKDXXNHQV-QGZVFWFLSA-N 1 0 323.392 3.461 20 5 DGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447583025 274062754 /nfs/dbraw/zinc/06/27/54/274062754.db2.gz AOYUZRDZDJAHSB-KBRIMQKVSA-N 1 0 304.390 3.377 20 5 DGBDRO CO[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417350317 274077470 /nfs/dbraw/zinc/07/74/70/274077470.db2.gz PIFUPFSKMVIGML-DLBZAZTESA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056197193 274254701 /nfs/dbraw/zinc/25/47/01/274254701.db2.gz JSERUJCWAWQRTD-OLZOCXBDSA-N 1 0 313.357 3.273 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000192963142 274257347 /nfs/dbraw/zinc/25/73/47/274257347.db2.gz GOVBYMZKZFSWRK-SJKOYZFVSA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446848514 274282932 /nfs/dbraw/zinc/28/29/32/274282932.db2.gz ICKPYQAFALWZST-QMTHXVAHSA-N 1 0 302.378 3.385 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000449317786 274498597 /nfs/dbraw/zinc/49/85/97/274498597.db2.gz CBFZRQVCNLYLAA-MLGOLLRUSA-N 1 0 314.389 3.000 20 5 DGBDRO C[C@H]1CCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446836634 274557504 /nfs/dbraw/zinc/55/75/04/274557504.db2.gz RVRMFYZYKWREDA-RYUDHWBXSA-N 1 0 302.378 3.387 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)CCC2 ZINC000453347199 275037968 /nfs/dbraw/zinc/03/79/68/275037968.db2.gz FDLKURAXZXBMOG-RRQGHBQHSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[NH+](C2CCCC2)CC1 ZINC000494199175 275039466 /nfs/dbraw/zinc/03/94/66/275039466.db2.gz SXNJWTPZFRRTRX-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433258458 275868401 /nfs/dbraw/zinc/86/84/01/275868401.db2.gz UGUGUMRWHKAHBN-JDFRZJQESA-N 1 0 318.417 3.458 20 5 DGBDRO CC1CCN(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447536177 275940194 /nfs/dbraw/zinc/94/01/94/275940194.db2.gz LLLQTVFZUYQVDG-SFHVURJKSA-N 1 0 317.433 3.294 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c2cc([N+](=O)[O-])ccc21 ZINC000433063289 276149074 /nfs/dbraw/zinc/14/90/74/276149074.db2.gz XKHVQSAXPIIDIJ-VZEFYGNVSA-N 1 0 316.401 3.474 20 5 DGBDRO CCOc1cccc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000302112941 276381235 /nfs/dbraw/zinc/38/12/35/276381235.db2.gz QGVJFTDKVMKEPF-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO COc1cccc(NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000185098626 277456330 /nfs/dbraw/zinc/45/63/30/277456330.db2.gz OGAUBTULQJNQMH-GFCCVEGCSA-N 1 0 321.402 3.380 20 5 DGBDRO COCC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000449740294 277484083 /nfs/dbraw/zinc/48/40/83/277484083.db2.gz FSKGUGMDKCTVNJ-AWEZNQCLSA-N 1 0 306.406 3.322 20 5 DGBDRO CC(C)c1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422732186 278023264 /nfs/dbraw/zinc/02/32/64/278023264.db2.gz NIDZCTYJNMOMPE-DOMZBBRYSA-N 1 0 319.405 3.060 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000344311164 278037790 /nfs/dbraw/zinc/03/77/90/278037790.db2.gz WQGDFGRDDZAURB-CJNGLKHVSA-N 1 0 305.422 3.291 20 5 DGBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420182616 278317798 /nfs/dbraw/zinc/31/77/98/278317798.db2.gz GJVNCPWYQMQOTO-BDAKNGLRSA-N 1 0 318.204 3.465 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000122317375 278382860 /nfs/dbraw/zinc/38/28/60/278382860.db2.gz POGXCMGZWYJDCP-ABAIWWIYSA-N 1 0 300.362 3.057 20 5 DGBDRO Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420222923 278718805 /nfs/dbraw/zinc/71/88/05/278718805.db2.gz YNRYLFOSBFHTPN-ZJUUUORDSA-N 1 0 317.311 3.096 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000421890615 288076435 /nfs/dbraw/zinc/07/64/35/288076435.db2.gz YBGRIBOABYRQJM-CJNGLKHVSA-N 1 0 322.405 3.220 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000279180091 278922808 /nfs/dbraw/zinc/92/28/08/278922808.db2.gz VKVWMBPUDFEHPX-BFQNTYOBSA-N 1 0 304.390 3.474 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000108079703 431120420 /nfs/dbraw/zinc/12/04/20/431120420.db2.gz RLURQXHDQSPPDR-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313963 279271525 /nfs/dbraw/zinc/27/15/25/279271525.db2.gz XPELOTCLUUBHSE-CKRFGLGXSA-N 1 0 324.446 3.109 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000072561404 431339370 /nfs/dbraw/zinc/33/93/70/431339370.db2.gz MQFOVDRXUHASSV-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000072561406 431340686 /nfs/dbraw/zinc/34/06/86/431340686.db2.gz MQFOVDRXUHASSV-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000113345393 431341258 /nfs/dbraw/zinc/34/12/58/431341258.db2.gz SDCCSIODCVDMCZ-HSMVNMDESA-N 1 0 320.389 3.376 20 5 DGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000075860559 431503828 /nfs/dbraw/zinc/50/38/28/431503828.db2.gz PXTNOMPJSHLFRK-ZDUSSCGKSA-N 1 0 309.385 3.040 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCCC[C@H]3O)o2)c1 ZINC000116342994 431503947 /nfs/dbraw/zinc/50/39/47/431503947.db2.gz WHSXNTFXQGMZCR-JKSUJKDBSA-N 1 0 316.357 3.248 20 5 DGBDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000117349068 431561611 /nfs/dbraw/zinc/56/16/11/431561611.db2.gz PCRQCUYKIATMDM-MRXNPFEDSA-N 1 0 320.389 3.472 20 5 DGBDRO CC[C@@H]([NH2+][C@H](C(=O)N(C)CC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000453290569 280195451 /nfs/dbraw/zinc/19/54/51/280195451.db2.gz UEVPJQRQQRWZCT-CVEARBPZSA-N 1 0 321.421 3.138 20 5 DGBDRO CCC[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119115527 431649987 /nfs/dbraw/zinc/64/99/87/431649987.db2.gz AEGXAXOQNNTBSR-SJORKVTESA-N 1 0 322.405 3.221 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119250792 431664513 /nfs/dbraw/zinc/66/45/13/431664513.db2.gz JDUOLHSWHPRZQP-UKRRQHHQSA-N 1 0 306.406 3.463 20 5 DGBDRO C[C@H]1CCC[C@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026468025 431675644 /nfs/dbraw/zinc/67/56/44/431675644.db2.gz LGXYSLZWAKHOQK-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000078571491 431683410 /nfs/dbraw/zinc/68/34/10/431683410.db2.gz JYDYZXJTVOPLOQ-HNNXBMFYSA-N 1 0 300.362 3.013 20 5 DGBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000119385822 431687625 /nfs/dbraw/zinc/68/76/25/431687625.db2.gz NYHAPPAIICMWSN-CYBMUJFWSA-N 1 0 300.358 3.363 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000121206016 431754372 /nfs/dbraw/zinc/75/43/72/431754372.db2.gz XVSWGYHSMJEJSH-CQSZACIVSA-N 1 0 300.362 3.006 20 5 DGBDRO C[C@H](C1CC1)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000031654382 431761017 /nfs/dbraw/zinc/76/10/17/431761017.db2.gz NKTMRKAPXSPGEH-LLVKDONJSA-N 1 0 318.373 3.224 20 5 DGBDRO C[NH+](C)C[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000037562596 431847982 /nfs/dbraw/zinc/84/79/82/431847982.db2.gz GPDSERLOHPMMKE-CQSZACIVSA-N 1 0 305.403 3.049 20 5 DGBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000037754788 431850027 /nfs/dbraw/zinc/85/00/27/431850027.db2.gz NQGQEDYODPOVFD-UHFFFAOYSA-N 1 0 305.300 3.367 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000123000293 431851395 /nfs/dbraw/zinc/85/13/95/431851395.db2.gz OIOBQHAEDUTMBB-GXTWGEPZSA-N 1 0 319.405 3.210 20 5 DGBDRO Cc1c(NC(=O)CC[NH+]2[C@H](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000123438248 431864742 /nfs/dbraw/zinc/86/47/42/431864742.db2.gz QOLWFHSWAUBACY-VXGBXAGGSA-N 1 0 305.378 3.105 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCC(C)CC2)cc1[N+](=O)[O-] ZINC000123434133 431865117 /nfs/dbraw/zinc/86/51/17/431865117.db2.gz ZEZWHGKDMVAYAO-KDJCLPLCSA-N 1 0 306.406 3.495 20 5 DGBDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000123585107 431869304 /nfs/dbraw/zinc/86/93/04/431869304.db2.gz JLUOLWCLGNJULP-HNNXBMFYSA-N 1 0 319.405 3.094 20 5 DGBDRO CCC[NH+]1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000035368221 431831077 /nfs/dbraw/zinc/83/10/77/431831077.db2.gz KGXQMMPWRHTRSW-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO CC(C)c1ccc(C[N@H+](C)CCn2cccn2)cc1[N+](=O)[O-] ZINC000125289939 431920294 /nfs/dbraw/zinc/92/02/94/431920294.db2.gz NXUWYCRFLLHUPI-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125435129 431924972 /nfs/dbraw/zinc/92/49/72/431924972.db2.gz KHECEBJEZMJKBB-OAHLLOKOSA-N 1 0 313.357 3.206 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000090221491 431890741 /nfs/dbraw/zinc/89/07/41/431890741.db2.gz BVGIAGXYQGRSPF-AMXDTQDGSA-N 1 0 318.398 3.183 20 5 DGBDRO COc1cc(C[N@H+](C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])cc1OC ZINC000091900577 431906905 /nfs/dbraw/zinc/90/69/05/431906905.db2.gz BYIXWOXEFDDKEC-LLVKDONJSA-N 1 0 308.378 3.232 20 5 DGBDRO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000054676550 431972484 /nfs/dbraw/zinc/97/24/84/431972484.db2.gz PMZGICJBJMZXNR-FZMZJTMJSA-N 1 0 316.361 3.227 20 5 DGBDRO C[NH+](C)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000054774447 431973485 /nfs/dbraw/zinc/97/34/85/431973485.db2.gz RDKVRRPTLCOYOJ-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO CCC[C@H]([NH2+][C@H]1CCN(C(=O)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000126559795 431952845 /nfs/dbraw/zinc/95/28/45/431952845.db2.gz APKLVFDQMQPYLM-HOCLYGCPSA-N 1 0 319.405 3.037 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](C2CCCC2)CC1 ZINC000126962303 431961256 /nfs/dbraw/zinc/96/12/56/431961256.db2.gz RAUJKPFYDZIPGH-FNORWQNLSA-N 1 0 315.417 3.168 20 5 DGBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000054128380 431968064 /nfs/dbraw/zinc/96/80/64/431968064.db2.gz KAUPJYOKXDKXMT-UHFFFAOYSA-N 1 0 305.300 3.366 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451705416 281021970 /nfs/dbraw/zinc/02/19/70/281021970.db2.gz YNEYQYLBTAMGPG-HWMZRRJGSA-N 1 0 318.417 3.447 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000056197191 431987209 /nfs/dbraw/zinc/98/72/09/431987209.db2.gz JSERUJCWAWQRTD-STQMWFEESA-N 1 0 313.357 3.273 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161936226 281260228 /nfs/dbraw/zinc/26/02/28/281260228.db2.gz IWIQNBZDOPKMQH-GDBMZVCRSA-N 1 0 315.417 3.356 20 5 DGBDRO COc1cccc(OCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173305628 432270082 /nfs/dbraw/zinc/27/00/82/432270082.db2.gz GOEXAPZQCTZMRJ-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO CCC[N@H+](CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270688066 432277660 /nfs/dbraw/zinc/27/76/60/432277660.db2.gz DUUIEBCICJDQST-NSHDSACASA-N 1 0 304.350 3.438 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248343670 432279964 /nfs/dbraw/zinc/27/99/64/432279964.db2.gz KPFUVMQPNUPCGJ-WOPDTQHZSA-N 1 0 316.361 3.436 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000151863301 432283279 /nfs/dbraw/zinc/28/32/79/432283279.db2.gz GFUCBUFJDNCJQF-UKRRQHHQSA-N 1 0 305.422 3.428 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000183355195 432284911 /nfs/dbraw/zinc/28/49/11/432284911.db2.gz GPSJFNAEXFQWRW-QGZVFWFLSA-N 1 0 316.332 3.387 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000248526793 432298333 /nfs/dbraw/zinc/29/83/33/432298333.db2.gz GGUVLHFIKGZQGA-CZUORRHYSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000060478093 431999785 /nfs/dbraw/zinc/99/97/85/431999785.db2.gz HTAQIXZQLPKFBZ-AWEZNQCLSA-N 1 0 324.421 3.139 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000271209550 432354979 /nfs/dbraw/zinc/35/49/79/432354979.db2.gz XPQTYRJSBVXTNL-UHFFFAOYSA-N 1 0 304.390 3.296 20 5 DGBDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000271123875 432333432 /nfs/dbraw/zinc/33/34/32/432333432.db2.gz KAEXVSYXSZLPPV-WBMJQRKESA-N 1 0 310.394 3.195 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC1 ZINC000271140846 432337501 /nfs/dbraw/zinc/33/75/01/432337501.db2.gz OGXREIXTGYDLJL-CHWSQXEVSA-N 1 0 310.419 3.092 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000249518444 432350039 /nfs/dbraw/zinc/35/00/39/432350039.db2.gz IMUUQEHMYFXGIA-NORZTCDRSA-N 1 0 319.405 3.256 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)C1CC1 ZINC000251863541 432371736 /nfs/dbraw/zinc/37/17/36/432371736.db2.gz OKTWZUJMUCIROY-LISAXSMJSA-N 1 0 316.401 3.073 20 5 DGBDRO CC[C@@H](CSC)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184297077 432377033 /nfs/dbraw/zinc/37/70/33/432377033.db2.gz QHFLZCSQSOQMMZ-NSHDSACASA-N 1 0 316.398 3.316 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000252663865 432385446 /nfs/dbraw/zinc/38/54/46/432385446.db2.gz JKVGQHSLTMAJRD-CPUCHLNUSA-N 1 0 314.389 3.435 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000153148503 432386431 /nfs/dbraw/zinc/38/64/31/432386431.db2.gz SSRUJDDIWPPIQN-JSGCOSHPSA-N 1 0 310.394 3.051 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000192624785 432395758 /nfs/dbraw/zinc/39/57/58/432395758.db2.gz GMKNFFBMVXXKHB-WBMJQRKESA-N 1 0 320.389 3.472 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000192657929 432396073 /nfs/dbraw/zinc/39/60/73/432396073.db2.gz QWAJBGVOHCTSDF-SCLBCKFNSA-N 1 0 315.417 3.046 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000152779312 432356626 /nfs/dbraw/zinc/35/66/26/432356626.db2.gz WOSYTPUCFXZYSB-AWEZNQCLSA-N 1 0 321.421 3.130 20 5 DGBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000271273979 432365964 /nfs/dbraw/zinc/36/59/64/432365964.db2.gz KKJUYSNXVMQESF-WBMJQRKESA-N 1 0 316.357 3.058 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000192918707 432428014 /nfs/dbraw/zinc/42/80/14/432428014.db2.gz XAVBPQSUMLVQRA-LBPRGKRZSA-N 1 0 314.341 3.483 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCCCCO ZINC000192925690 432429019 /nfs/dbraw/zinc/42/90/19/432429019.db2.gz NFAGJPSZQHGOCM-GOEBONIOSA-N 1 0 306.406 3.058 20 5 DGBDRO [NH3+][C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261839351 432454753 /nfs/dbraw/zinc/45/47/53/432454753.db2.gz ZNZKLFNMGLXJGQ-FWOBMTDDSA-N 1 0 323.396 3.035 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000153927052 432457413 /nfs/dbraw/zinc/45/74/13/432457413.db2.gz PAXJZNGAUIJTPT-XQQFMLRXSA-N 1 0 310.394 3.051 20 5 DGBDRO Nc1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000192764548 432411277 /nfs/dbraw/zinc/41/12/77/432411277.db2.gz VJKXJDSSNCMMRB-OAHLLOKOSA-N 1 0 316.361 3.019 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1scnc1C ZINC000175217952 432412318 /nfs/dbraw/zinc/41/23/18/432412318.db2.gz NKIIEARCMRGAQW-UHFFFAOYSA-N 1 0 321.402 3.390 20 5 DGBDRO Cc1noc(C)c1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192844652 432420061 /nfs/dbraw/zinc/42/00/61/432420061.db2.gz PQQSIUVTSMPMRY-KRWDZBQOSA-N 1 0 315.373 3.409 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000192851705 432421665 /nfs/dbraw/zinc/42/16/65/432421665.db2.gz MGYSHQSWNANGBP-VXGBXAGGSA-N 1 0 302.378 3.357 20 5 DGBDRO CCC(CC)[C@@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192854664 432421732 /nfs/dbraw/zinc/42/17/32/432421732.db2.gz RJMQQYOHFISGSS-IRXDYDNUSA-N 1 0 306.406 3.359 20 5 DGBDRO Cc1cc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000153630200 432426252 /nfs/dbraw/zinc/42/62/52/432426252.db2.gz VIBXUWYJFGTGIY-GFCCVEGCSA-N 1 0 322.409 3.001 20 5 DGBDRO C[NH2+][C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000262118917 432474822 /nfs/dbraw/zinc/47/48/22/432474822.db2.gz XEKRRNPCDCAXEP-AWEZNQCLSA-N 1 0 315.373 3.039 20 5 DGBDRO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000262353418 432483570 /nfs/dbraw/zinc/48/35/70/432483570.db2.gz VKEUZXCXUFHLGZ-JSGCOSHPSA-N 1 0 300.362 3.072 20 5 DGBDRO CCS[C@H]1CCCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154239808 432485119 /nfs/dbraw/zinc/48/51/19/432485119.db2.gz RLXFTLXNVFLJTD-HOTGVXAUSA-N 1 0 324.446 3.236 20 5 DGBDRO Cc1ccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1[N+](=O)[O-] ZINC000262518943 432489485 /nfs/dbraw/zinc/48/94/85/432489485.db2.gz NWORPPOMJFSVNH-AWEZNQCLSA-N 1 0 305.378 3.139 20 5 DGBDRO C[C@H]1C[C@H](NC(=O)c2cc3ccccc3c3cccnc23)CC[NH2+]1 ZINC000262836549 432504932 /nfs/dbraw/zinc/50/49/32/432504932.db2.gz ILHIOSLVDFLUTK-DZGCQCFKSA-N 1 0 319.408 3.258 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](COC)C(C)C)cc1[N+](=O)[O-] ZINC000153984181 432460529 /nfs/dbraw/zinc/46/05/29/432460529.db2.gz DTJHVJOPUUGFJI-JSGCOSHPSA-N 1 0 310.394 3.315 20 5 DGBDRO C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000261956587 432463171 /nfs/dbraw/zinc/46/31/71/432463171.db2.gz OCTTYVCGWXHEQT-VHSXEESVSA-N 1 0 317.311 3.414 20 5 DGBDRO C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000261956586 432463718 /nfs/dbraw/zinc/46/37/18/432463718.db2.gz OCTTYVCGWXHEQT-UWVGGRQHSA-N 1 0 317.311 3.414 20 5 DGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185605601 432514693 /nfs/dbraw/zinc/51/46/93/432514693.db2.gz YCVOTZYBQQGORO-FZMZJTMJSA-N 1 0 316.361 3.265 20 5 DGBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185814437 432534897 /nfs/dbraw/zinc/53/48/97/432534897.db2.gz AJULXVPCKMMHEQ-BAABZTOOSA-N 1 0 316.357 3.272 20 5 DGBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185827663 432536858 /nfs/dbraw/zinc/53/68/58/432536858.db2.gz BNKUFFHREGOODZ-BAABZTOOSA-N 1 0 316.357 3.272 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000263791722 432578118 /nfs/dbraw/zinc/57/81/18/432578118.db2.gz NRBGNRCSPNVPCH-LBPRGKRZSA-N 1 0 307.394 3.208 20 5 DGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000194807266 432578607 /nfs/dbraw/zinc/57/86/07/432578607.db2.gz NDEXYIOPEMANSP-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000264328209 432636082 /nfs/dbraw/zinc/63/60/82/432636082.db2.gz SBBPLTGNGVDYMP-OAHLLOKOSA-N 1 0 318.421 3.082 20 5 DGBDRO O=C(CC[NH+]1C[C@H]2CCCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000177573830 432638378 /nfs/dbraw/zinc/63/83/78/432638378.db2.gz HUNAFENRMXOYMH-ZIAGYGMSSA-N 1 0 317.389 3.045 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC1([NH+](C)C)CCC1 ZINC000186959034 432640326 /nfs/dbraw/zinc/64/03/26/432640326.db2.gz DEYOZDIAYLTGNT-AWEZNQCLSA-N 1 0 305.422 3.380 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)C3CC3)s2)cc1 ZINC000265118353 432668063 /nfs/dbraw/zinc/66/80/63/432668063.db2.gz ZUHQZNQWFJMMNS-HNNXBMFYSA-N 1 0 318.398 3.184 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)c2ccccc2)C2CC2)c1 ZINC000265458002 432701023 /nfs/dbraw/zinc/70/10/23/432701023.db2.gz YAIBWNCWBJHTEU-GOSISDBHSA-N 1 0 312.369 3.293 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000159186661 432674123 /nfs/dbraw/zinc/67/41/23/432674123.db2.gz MFZRFTSLUOFRTJ-RRQGHBQHSA-N 1 0 306.406 3.495 20 5 DGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CC(F)(F)F ZINC000188879436 432751038 /nfs/dbraw/zinc/75/10/38/432751038.db2.gz VIJIIJFJQJCOCR-CYBMUJFWSA-N 1 0 320.311 3.119 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000178640056 432761940 /nfs/dbraw/zinc/76/19/40/432761940.db2.gz HDMCGVGSRBJTRK-GFCCVEGCSA-N 1 0 314.341 3.217 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1cnn(C)c1 ZINC000266534246 432762565 /nfs/dbraw/zinc/76/25/65/432762565.db2.gz NBSMBVKSDQAWQU-IUODEOHRSA-N 1 0 300.362 3.226 20 5 DGBDRO CC[C@@H](CO)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000188676941 432739444 /nfs/dbraw/zinc/73/94/44/432739444.db2.gz JPRLMPRNQWNVBQ-RDJZCZTQSA-N 1 0 300.358 3.045 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000154200029 292673876 /nfs/dbraw/zinc/67/38/76/292673876.db2.gz MLCCWQRVFFUTBH-BLLLJJGKSA-N 1 0 308.378 3.213 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000245465378 432834252 /nfs/dbraw/zinc/83/42/52/432834252.db2.gz YKKDOZOJUIXEIA-WBMJQRKESA-N 1 0 319.405 3.352 20 5 DGBDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000162798282 432834744 /nfs/dbraw/zinc/83/47/44/432834744.db2.gz MGYQKRWZBVSFDW-ZEGPQOMJSA-N 1 0 324.446 3.325 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245521006 432839562 /nfs/dbraw/zinc/83/95/62/432839562.db2.gz KFIOFFRPTWZVAM-JJRVBVJISA-N 1 0 306.406 3.447 20 5 DGBDRO CO[C@]1(C)C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1(C)C ZINC000237268613 432783402 /nfs/dbraw/zinc/78/34/02/432783402.db2.gz MYGQYNHYXVPRFE-KYZJMWGYSA-N 1 0 304.390 3.401 20 5 DGBDRO CCOC(CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])OCC ZINC000276260251 432789910 /nfs/dbraw/zinc/78/99/10/432789910.db2.gz UBLUKNFCKBCYNM-UHFFFAOYSA-N 1 0 316.785 3.127 20 5 DGBDRO CCS[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189518666 432795040 /nfs/dbraw/zinc/79/50/40/432795040.db2.gz QDQOJYIOHKEUIZ-PMPSAXMXSA-N 1 0 324.446 3.282 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)cccc1[N+](=O)[O-] ZINC000161769211 432796712 /nfs/dbraw/zinc/79/67/12/432796712.db2.gz HCPARPXJXAECJE-ZDUSSCGKSA-N 1 0 320.389 3.240 20 5 DGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000276422471 432806749 /nfs/dbraw/zinc/80/67/49/432806749.db2.gz JDVXHMDGBJXOBK-UHFFFAOYSA-N 1 0 321.421 3.097 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)c(F)c1 ZINC000267031050 432807965 /nfs/dbraw/zinc/80/79/65/432807965.db2.gz MOAOLPUPQSIMJO-UHFFFAOYSA-N 1 0 308.353 3.127 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000268364475 432865949 /nfs/dbraw/zinc/86/59/49/432865949.db2.gz UTVDWPSZVFGMCB-IAQYHMDHSA-N 1 0 306.362 3.130 20 5 DGBDRO Cc1nc(NC[C@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268445282 432872022 /nfs/dbraw/zinc/87/20/22/432872022.db2.gz DVTGESWYICTGBV-CYBMUJFWSA-N 1 0 306.391 3.075 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000245947273 432872886 /nfs/dbraw/zinc/87/28/86/432872886.db2.gz RYJMGQRRTGCIND-JSGCOSHPSA-N 1 0 319.405 3.210 20 5 DGBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000288769568 432896158 /nfs/dbraw/zinc/89/61/58/432896158.db2.gz JMNJIGZEMDZLFK-HNNXBMFYSA-N 1 0 312.797 3.233 20 5 DGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000296297844 432894451 /nfs/dbraw/zinc/89/44/51/432894451.db2.gz ZOJLIBNYRHDJNF-MRXNPFEDSA-N 1 0 322.405 3.240 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245526990 432840165 /nfs/dbraw/zinc/84/01/65/432840165.db2.gz PQNDXXGGFVDKLJ-ZBFHGGJFSA-N 1 0 305.422 3.380 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000245535327 432840381 /nfs/dbraw/zinc/84/03/81/432840381.db2.gz WMBOBBCCUBPZRN-DAYGRLMNSA-N 1 0 317.433 3.380 20 5 DGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000330654991 432922662 /nfs/dbraw/zinc/92/26/62/432922662.db2.gz MHONSHHZTGGOTO-OLZOCXBDSA-N 1 0 305.378 3.105 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000331155323 432932626 /nfs/dbraw/zinc/93/26/26/432932626.db2.gz YHXWFMRLSSIVNJ-IACUBPJLSA-N 1 0 319.405 3.256 20 5 DGBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000289224356 432936214 /nfs/dbraw/zinc/93/62/14/432936214.db2.gz CPICVBXDHKPGBU-UHFFFAOYSA-N 1 0 304.390 3.294 20 5 DGBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331434855 432940355 /nfs/dbraw/zinc/94/03/55/432940355.db2.gz GNQFQGNOCMCCCJ-LBPRGKRZSA-N 1 0 302.378 3.482 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCOC2(C)C)c2cc([N+](=O)[O-])ccc21 ZINC000331576407 432949588 /nfs/dbraw/zinc/94/95/88/432949588.db2.gz LDCIIQKWLHHEED-CABCVRRESA-N 1 0 304.390 3.474 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000330550613 432917168 /nfs/dbraw/zinc/91/71/68/432917168.db2.gz WYSHFETUDLOMNF-DGCLKSJQSA-N 1 0 305.378 3.010 20 5 DGBDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000296554345 432922064 /nfs/dbraw/zinc/92/20/64/432922064.db2.gz CBWXHOZJDUHJRO-CKEIUWERSA-N 1 0 314.389 3.058 20 5 DGBDRO C[C@@H]1C[C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000331987531 432964765 /nfs/dbraw/zinc/96/47/65/432964765.db2.gz MCJKZRLBYXVIHF-HSMVNMDESA-N 1 0 303.406 3.047 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000332368591 433002420 /nfs/dbraw/zinc/00/24/20/433002420.db2.gz WJRGMENQKXGUAA-KGLIPLIRSA-N 1 0 314.389 3.269 20 5 DGBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000349829421 433016768 /nfs/dbraw/zinc/01/67/68/433016768.db2.gz PEUNHGZJCWISMH-XQJDBVBESA-N 1 0 316.357 3.272 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCSC2)c1 ZINC000280249918 433022231 /nfs/dbraw/zinc/02/22/31/433022231.db2.gz YWZRJANGNVBFBP-SECBINFHSA-N 1 0 318.345 3.039 20 5 DGBDRO CC(C)n1nccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000354426650 433072540 /nfs/dbraw/zinc/07/25/40/433072540.db2.gz VEYAKWJIIWJSSL-UHFFFAOYSA-N 1 0 316.405 3.485 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCOc1ccccc1)CC2 ZINC000446734420 433095876 /nfs/dbraw/zinc/09/58/76/433095876.db2.gz KOCLTDCUWGHGCO-UHFFFAOYSA-N 1 0 312.369 3.422 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CC)COC1 ZINC000453370238 433124861 /nfs/dbraw/zinc/12/48/61/433124861.db2.gz NEZADHRFSLRYGI-ZDUSSCGKSA-N 1 0 324.446 3.482 20 5 DGBDRO CC(C)[C@@H](C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000298405272 433126045 /nfs/dbraw/zinc/12/60/45/433126045.db2.gz HCAQEFZVVCJRDY-LLVKDONJSA-N 1 0 304.350 3.121 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)CC[NH+](C(C)C)C(C)C ZINC000350385921 433143627 /nfs/dbraw/zinc/14/36/27/433143627.db2.gz AOHUOABZDRQIFC-UHFFFAOYSA-N 1 0 307.438 3.454 20 5 DGBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000420275830 433145779 /nfs/dbraw/zinc/14/57/79/433145779.db2.gz HANFKCYOWVJSSV-FVGKDHOHSA-N 1 0 312.373 3.071 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000420294267 433150918 /nfs/dbraw/zinc/15/09/18/433150918.db2.gz YTDWZSDOKGWNMB-NWDGAFQWSA-N 1 0 300.362 3.072 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000447075710 433152875 /nfs/dbraw/zinc/15/28/75/433152875.db2.gz HFWVNTRNRMLVON-OAHLLOKOSA-N 1 0 303.406 3.071 20 5 DGBDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446838875 433114890 /nfs/dbraw/zinc/11/48/90/433114890.db2.gz MYUNTKDOOPJYKZ-OLZOCXBDSA-N 1 0 302.378 3.385 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@@H]1CCC[NH2+]C1 ZINC000420148695 433116776 /nfs/dbraw/zinc/11/67/76/433116776.db2.gz ALXQUJDAKNORNG-MRVPVSSYSA-N 1 0 304.177 3.313 20 5 DGBDRO COCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290930417 433208986 /nfs/dbraw/zinc/20/89/86/433208986.db2.gz RWKDQRZOTWRGLB-UHFFFAOYSA-N 1 0 307.177 3.418 20 5 DGBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000336719407 433186171 /nfs/dbraw/zinc/18/61/71/433186171.db2.gz SDUDYZMHQXEYCZ-BBRMVZONSA-N 1 0 312.373 3.065 20 5 DGBDRO C[C@@H](C1CCCCC1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000447394184 433197873 /nfs/dbraw/zinc/19/78/73/433197873.db2.gz GGFDBQXLMYHVSA-ZDUSSCGKSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCC1 ZINC000361481956 433198233 /nfs/dbraw/zinc/19/82/33/433198233.db2.gz SPKNHDMSBICWHR-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cs1 ZINC000425373385 433210786 /nfs/dbraw/zinc/21/07/86/433210786.db2.gz PUCBQTIQGMEYOG-OAHLLOKOSA-N 1 0 322.430 3.437 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000374494570 433204623 /nfs/dbraw/zinc/20/46/23/433204623.db2.gz DZPZMPSEFTWKTB-ISTRZQFTSA-N 1 0 304.390 3.073 20 5 DGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447561537 433225760 /nfs/dbraw/zinc/22/57/60/433225760.db2.gz IJZBDKAUNXCDHK-MRRJBJDNSA-N 1 0 306.406 3.359 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC23CCC[NH+]2CCC3)c2ncccc12 ZINC000280952570 433236687 /nfs/dbraw/zinc/23/66/87/433236687.db2.gz JURZZHQAIVRCDA-UHFFFAOYSA-N 1 0 312.373 3.183 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000374631302 433242852 /nfs/dbraw/zinc/24/28/52/433242852.db2.gz PENSPTDZWRBIMA-AWEZNQCLSA-N 1 0 324.808 3.497 20 5 DGBDRO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](C)OC ZINC000361572009 433256972 /nfs/dbraw/zinc/25/69/72/433256972.db2.gz BOWMWCDXMQNEKG-GFCCVEGCSA-N 1 0 319.361 3.107 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000374715947 433264050 /nfs/dbraw/zinc/26/40/50/433264050.db2.gz OIKVDYFWUPLIAL-WCQYABFASA-N 1 0 310.781 3.107 20 5 DGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000447809906 433284628 /nfs/dbraw/zinc/28/46/28/433284628.db2.gz DTRLYPYUOIMILK-HNNXBMFYSA-N 1 0 318.421 3.095 20 5 DGBDRO COc1cc(NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447815300 433290174 /nfs/dbraw/zinc/29/01/74/433290174.db2.gz CVIIRMBIAUYAGU-HNNXBMFYSA-N 1 0 307.394 3.136 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2CC(F)(F)C2)c1 ZINC000291816005 433360224 /nfs/dbraw/zinc/36/02/24/433360224.db2.gz YUDSIPIUXFKZKM-UHFFFAOYSA-N 1 0 322.258 3.331 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)cs1 ZINC000291739095 433331462 /nfs/dbraw/zinc/33/14/62/433331462.db2.gz OTBVIMHFCYIMPQ-GFCCVEGCSA-N 1 0 321.377 3.164 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1OCCc2sccc21 ZINC000291759631 433338845 /nfs/dbraw/zinc/33/88/45/433338845.db2.gz RFVXGRPYPMKZDH-BZNIZROVSA-N 1 0 318.398 3.448 20 5 DGBDRO COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000342020256 433416680 /nfs/dbraw/zinc/41/66/80/433416680.db2.gz HAMATYAVEQEXOZ-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO Cc1cc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301110272 433418570 /nfs/dbraw/zinc/41/85/70/433418570.db2.gz OPAHWDCYRRTFRM-OKILXGFUSA-N 1 0 321.421 3.203 20 5 DGBDRO CC(C)([NH2+]Cc1ccc(CO)cc1)c1ccccc1[N+](=O)[O-] ZINC000292042405 433441391 /nfs/dbraw/zinc/44/13/91/433441391.db2.gz AQTAEUREFGZTDZ-UHFFFAOYSA-N 1 0 300.358 3.112 20 5 DGBDRO COc1cccc2c1C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000414173741 433441825 /nfs/dbraw/zinc/44/18/25/433441825.db2.gz GARXZTTXWTVEAE-DOMZBBRYSA-N 1 0 312.369 3.421 20 5 DGBDRO CC(=O)c1ccc(NCC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000301183007 433445628 /nfs/dbraw/zinc/44/56/28/433445628.db2.gz INPINTRZQNJHMT-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000301226721 433459885 /nfs/dbraw/zinc/45/98/85/433459885.db2.gz BZAUXHHPORGQSY-AWEZNQCLSA-N 1 0 305.378 3.084 20 5 DGBDRO Cc1ccnc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301276683 433485445 /nfs/dbraw/zinc/48/54/45/433485445.db2.gz IZHSCYZIGCUSRY-SCRDCRAPSA-N 1 0 306.410 3.077 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nc1 ZINC000301266956 433481796 /nfs/dbraw/zinc/48/17/96/433481796.db2.gz GVNGERZQJXUOFL-HNNXBMFYSA-N 1 0 312.373 3.066 20 5 DGBDRO COc1cc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301327946 433511359 /nfs/dbraw/zinc/51/13/59/433511359.db2.gz AAKPDMOGUHGXHF-STQMWFEESA-N 1 0 307.394 3.136 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000414290560 433516565 /nfs/dbraw/zinc/51/65/65/433516565.db2.gz JIWWIMLRJURVET-QEORTHHSSA-N 1 0 324.421 3.440 20 5 DGBDRO COc1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301416303 433541139 /nfs/dbraw/zinc/54/11/39/433541139.db2.gz AXTMDIPHWJFRRO-HNNXBMFYSA-N 1 0 319.405 3.280 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000351489543 433525407 /nfs/dbraw/zinc/52/54/07/433525407.db2.gz CMJCHFMGDQJFEX-IAGOWNOFSA-N 1 0 322.405 3.023 20 5 DGBDRO O=C(C[N@@H+]1CC[C@@H]2CCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426454556 433503107 /nfs/dbraw/zinc/50/31/07/433503107.db2.gz QNKOUTOIWOWSTF-GWCFXTLKSA-N 1 0 323.780 3.061 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]4CCC[C@H]43)n2)c1 ZINC000426466662 433505973 /nfs/dbraw/zinc/50/59/73/433505973.db2.gz GVLNCMBZGJLAIZ-BXUZGUMPSA-N 1 0 314.345 3.019 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(/C=C\c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000339387994 433552153 /nfs/dbraw/zinc/55/21/53/433552153.db2.gz UBZQSNXDAFIHQA-RNZFLTOJSA-N 1 0 320.324 3.333 20 5 DGBDRO Cc1cnc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301453056 433559952 /nfs/dbraw/zinc/55/99/52/433559952.db2.gz QXTDLQSECJIADK-KBPBESRZSA-N 1 0 306.410 3.078 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](CCOC(C)C)CC1 ZINC000301478569 433571886 /nfs/dbraw/zinc/57/18/86/433571886.db2.gz QHTCYLGSUFRCFC-UHFFFAOYSA-N 1 0 321.421 3.205 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CC[C@@H](F)C2)c1 ZINC000342272257 433575576 /nfs/dbraw/zinc/57/55/76/433575576.db2.gz DPERIGXADYHJKY-ZJUUUORDSA-N 1 0 304.268 3.176 20 5 DGBDRO CCOc1cc(NC[C@H](CC)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000356478486 433577984 /nfs/dbraw/zinc/57/79/84/433577984.db2.gz DMLDWZJVNBULOI-AWEZNQCLSA-N 1 0 307.394 3.280 20 5 DGBDRO CC[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000342289805 433586509 /nfs/dbraw/zinc/58/65/09/433586509.db2.gz PWHPTVXAPOGMER-YOEHRIQHSA-N 1 0 305.422 3.367 20 5 DGBDRO CC[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000342289803 433588198 /nfs/dbraw/zinc/58/81/98/433588198.db2.gz PWHPTVXAPOGMER-RHSMWYFYSA-N 1 0 305.422 3.367 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293145305 433632895 /nfs/dbraw/zinc/63/28/95/433632895.db2.gz BHQSRYRIEMKNLK-GOEBONIOSA-N 1 0 314.385 3.191 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301602327 433634526 /nfs/dbraw/zinc/63/45/26/433634526.db2.gz WFBYGZVKFXQMJD-UONOGXRCSA-N 1 0 314.389 3.428 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])ccn1 ZINC000342302242 433599515 /nfs/dbraw/zinc/59/95/15/433599515.db2.gz UBZVMUFHPBUNAG-SCXUMTSISA-N 1 0 313.357 3.362 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000366278739 292930901 /nfs/dbraw/zinc/93/09/01/292930901.db2.gz CYWJVPXMEOFQSJ-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000362382699 433672113 /nfs/dbraw/zinc/67/21/13/433672113.db2.gz AFXIOROUXOWERH-HNNXBMFYSA-N 1 0 310.419 3.047 20 5 DGBDRO CC[C@@]1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000362384771 433678010 /nfs/dbraw/zinc/67/80/10/433678010.db2.gz LKBIVQOZCDVXBM-KRWDZBQOSA-N 1 0 319.405 3.436 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414514229 433679278 /nfs/dbraw/zinc/67/92/78/433679278.db2.gz LKJPEWCPECUKGH-CRKSLZJISA-N 1 0 304.390 3.401 20 5 DGBDRO C[NH+]1CCC2(CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000366835854 292994134 /nfs/dbraw/zinc/99/41/34/292994134.db2.gz PIMLGLQIANJZHO-UHFFFAOYSA-N 1 0 307.369 3.046 20 5 DGBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000283270143 433701603 /nfs/dbraw/zinc/70/16/03/433701603.db2.gz LFVMVCROMFZAGL-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO CCc1ccc([C@@H]2CCCCN2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370044365 293151902 /nfs/dbraw/zinc/15/19/02/293151902.db2.gz BSZUGXHIKSLUCB-ZDUSSCGKSA-N 1 0 318.377 3.211 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000370375965 293171757 /nfs/dbraw/zinc/17/17/57/293171757.db2.gz WBVGJJDYEMTBCJ-OAHLLOKOSA-N 1 0 314.389 3.016 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)N1CCCCC1 ZINC000449064845 433720224 /nfs/dbraw/zinc/72/02/24/433720224.db2.gz RDVKBEZUJFTIJG-OAHLLOKOSA-N 1 0 319.449 3.380 20 5 DGBDRO CCCCOC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362452124 433721461 /nfs/dbraw/zinc/72/14/61/433721461.db2.gz VFIKOYFTCRZBFT-UHFFFAOYSA-N 1 0 306.406 3.418 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CC3CC3)C2)c2c(c1)COCO2 ZINC000339675830 433726579 /nfs/dbraw/zinc/72/65/79/433726579.db2.gz RYNQHKWUAYWZLL-ZDUSSCGKSA-N 1 0 318.373 3.083 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000421824074 433749067 /nfs/dbraw/zinc/74/90/67/433749067.db2.gz GYXQGSZMNIPVND-CYBMUJFWSA-N 1 0 322.405 3.431 20 5 DGBDRO CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000301839522 433753932 /nfs/dbraw/zinc/75/39/32/433753932.db2.gz XOMYUDPUSXYCQA-LLVKDONJSA-N 1 0 317.311 3.144 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N1CCC[C@@H](C)C1 ZINC000449081464 433724860 /nfs/dbraw/zinc/72/48/60/433724860.db2.gz FMCNIHAOWQBLSI-PMPSAXMXSA-N 1 0 319.449 3.236 20 5 DGBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000283853149 433786342 /nfs/dbraw/zinc/78/63/42/433786342.db2.gz BGVAKDQLWLQESG-YVEFUNNKSA-N 1 0 315.373 3.215 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000339794226 433787086 /nfs/dbraw/zinc/78/70/86/433787086.db2.gz AITCZDZLPGLEHA-LLVKDONJSA-N 1 0 320.311 3.121 20 5 DGBDRO COc1cc(N[C@@H](C)C[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000301909303 433792169 /nfs/dbraw/zinc/79/21/69/433792169.db2.gz AXJAKSWOQBFQPC-NSHDSACASA-N 1 0 311.357 3.029 20 5 DGBDRO Cc1ccnc(N[C@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000302004604 433809538 /nfs/dbraw/zinc/80/95/38/433809538.db2.gz KJMTYTUGZWAALY-CQSZACIVSA-N 1 0 314.389 3.231 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000362667751 433811763 /nfs/dbraw/zinc/81/17/63/433811763.db2.gz HHISYUOTEJOVTF-UONOGXRCSA-N 1 0 300.362 3.038 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1C ZINC000432345026 433822691 /nfs/dbraw/zinc/82/26/91/433822691.db2.gz FQOIVLLYQICHPT-OLZOCXBDSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@H](C1CCC1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357024382 433829222 /nfs/dbraw/zinc/82/92/22/433829222.db2.gz MXIRUUCCHNVLCH-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000293685929 433829812 /nfs/dbraw/zinc/82/98/12/433829812.db2.gz KSCUHWXCOIUUBI-MEDUHNTESA-N 1 0 308.378 3.069 20 5 DGBDRO COC(=O)CC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000351976523 433830349 /nfs/dbraw/zinc/83/03/49/433830349.db2.gz BUFGUQITYIFDGW-CYBMUJFWSA-N 1 0 320.389 3.239 20 5 DGBDRO COC[C@@H]1CC[N@@H+]1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000293689171 433830308 /nfs/dbraw/zinc/83/03/08/433830308.db2.gz WFNLIBXNGAFMQY-HNNXBMFYSA-N 1 0 309.365 3.167 20 5 DGBDRO Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Cl)cc1[N+](=O)[O-] ZINC000302715833 433837831 /nfs/dbraw/zinc/83/78/31/433837831.db2.gz FUOFKWOPRBALDJ-OCCSQVGLSA-N 1 0 323.824 3.477 20 5 DGBDRO CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(C[NH3+])CCC1 ZINC000414791767 433839564 /nfs/dbraw/zinc/83/95/64/433839564.db2.gz QVRNNVRWZVDTJF-UHFFFAOYSA-N 1 0 315.373 3.168 20 5 DGBDRO CC(C)([NH3+])CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414799272 433843638 /nfs/dbraw/zinc/84/36/38/433843638.db2.gz GMDULABGBYGKOU-UHFFFAOYSA-N 1 0 305.403 3.150 20 5 DGBDRO C[N@@H+]1CCC[C@@]2(CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293729677 433845830 /nfs/dbraw/zinc/84/58/30/433845830.db2.gz USJZSQOAKXUMLW-WEBJUUICSA-N 1 0 315.417 3.026 20 5 DGBDRO CC(C)(C)c1ncc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000284237201 433863601 /nfs/dbraw/zinc/86/36/01/433863601.db2.gz DWUMFKPAPLHIMV-UHFFFAOYSA-N 1 0 314.389 3.015 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344415477 433868177 /nfs/dbraw/zinc/86/81/77/433868177.db2.gz IMWUIBGAIJTNRH-GJZGRUSLSA-N 1 0 318.421 3.081 20 5 DGBDRO C[C@H](CCc1ccco1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293882930 433910317 /nfs/dbraw/zinc/91/03/17/433910317.db2.gz VNCOWUNVPIRXGZ-VXGBXAGGSA-N 1 0 303.362 3.442 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2CCC2CCCC2)c1 ZINC000362954007 433922636 /nfs/dbraw/zinc/92/26/36/433922636.db2.gz FQOHYXIWDQEDOP-HNNXBMFYSA-N 1 0 306.410 3.226 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436277097 433925101 /nfs/dbraw/zinc/92/51/01/433925101.db2.gz WNCVULQYCWAOCR-UHFFFAOYSA-N 1 0 314.370 3.336 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCC[NH2+]2)s1 ZINC000414853339 433881295 /nfs/dbraw/zinc/88/12/95/433881295.db2.gz XOJVPNXWGSMBAQ-GFCCVEGCSA-N 1 0 317.414 3.165 20 5 DGBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284309318 433882517 /nfs/dbraw/zinc/88/25/17/433882517.db2.gz ZECAKFSCDQAKMP-VHSXEESVSA-N 1 0 318.377 3.064 20 5 DGBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284309317 433882903 /nfs/dbraw/zinc/88/29/03/433882903.db2.gz ZECAKFSCDQAKMP-UWVGGRQHSA-N 1 0 318.377 3.064 20 5 DGBDRO CC[C@H]([NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414977708 433953412 /nfs/dbraw/zinc/95/34/12/433953412.db2.gz KQXOYWVOPGTHQK-LBPRGKRZSA-N 1 0 305.403 3.150 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000352298661 434031283 /nfs/dbraw/zinc/03/12/83/434031283.db2.gz ZWXJNPDWGVXBFD-DAYGRLMNSA-N 1 0 317.433 3.432 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000352296495 434032043 /nfs/dbraw/zinc/03/20/43/434032043.db2.gz FELGUJRQCXPBIW-INMHGKMJSA-N 1 0 317.433 3.432 20 5 DGBDRO CC(C)[NH+]1CCC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450224385 434039492 /nfs/dbraw/zinc/03/94/92/434039492.db2.gz USRGFZKXXGGGHQ-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DGBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000285565682 433998405 /nfs/dbraw/zinc/99/84/05/433998405.db2.gz SZSXCLYJQLUYIX-UHFFFAOYSA-N 1 0 308.353 3.125 20 5 DGBDRO C[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000450261535 434063457 /nfs/dbraw/zinc/06/34/57/434063457.db2.gz IOWJTQTZAYZXOT-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450278127 434074633 /nfs/dbraw/zinc/07/46/33/434074633.db2.gz PAFMWFBDBHBPFS-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CCOc1cc(NC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000308667583 434091690 /nfs/dbraw/zinc/09/16/90/434091690.db2.gz MHJSOFWMDSWFTC-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO C[C@@H]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000450353813 434124690 /nfs/dbraw/zinc/12/46/90/434124690.db2.gz HBPUTWCYKHMEBI-VXGBXAGGSA-N 1 0 300.362 3.038 20 5 DGBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000500092951 294103311 /nfs/dbraw/zinc/10/33/11/294103311.db2.gz XCNBEWZJGNKGJB-ZFWWWQNUSA-N 1 0 321.421 3.247 20 5 DGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500125953 294104896 /nfs/dbraw/zinc/10/48/96/294104896.db2.gz QLVUJBGHSSXIBX-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@@H]1C[C@@]1([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C)c1 ZINC000502564015 294168582 /nfs/dbraw/zinc/16/85/82/294168582.db2.gz BWRFSNGLWKTMLG-PBHICJAKSA-N 1 0 314.389 3.015 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000504894845 294223267 /nfs/dbraw/zinc/22/32/67/294223267.db2.gz PBIRNNQRULEEMD-XZJROXQQSA-N 1 0 322.405 3.458 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)[NH+](C)C ZINC000353439385 434130661 /nfs/dbraw/zinc/13/06/61/434130661.db2.gz NENNMDCNYJTCRA-OAHLLOKOSA-N 1 0 319.361 3.049 20 5 DGBDRO Cc1c(CN2CC[NH2+]C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000313369116 434132158 /nfs/dbraw/zinc/13/21/58/434132158.db2.gz RMMXPJAFMPRKKY-SFHVURJKSA-N 1 0 311.385 3.050 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CCCC1 ZINC000511009005 294398264 /nfs/dbraw/zinc/39/82/64/294398264.db2.gz BIVFBTLBGXLMCI-PBHICJAKSA-N 1 0 320.433 3.447 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450370360 434135412 /nfs/dbraw/zinc/13/54/12/434135412.db2.gz XQVAKFZJHYRGBO-QWHCGFSZSA-N 1 0 314.389 3.428 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C1(C(=O)OC)CCC1 ZINC000357698045 434137560 /nfs/dbraw/zinc/13/75/60/434137560.db2.gz OMIUDTRNJNOBBW-OAHLLOKOSA-N 1 0 320.389 3.115 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC4(CC4)CC3)o2)cc1 ZINC000378328719 434141006 /nfs/dbraw/zinc/14/10/06/434141006.db2.gz WXBDUYKTDJQVTG-UHFFFAOYSA-N 1 0 314.345 3.021 20 5 DGBDRO C[C@@H]1[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000363792842 434149688 /nfs/dbraw/zinc/14/96/88/434149688.db2.gz GSASHMWCHXHHEL-AWEZNQCLSA-N 1 0 304.390 3.028 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000450411866 434157565 /nfs/dbraw/zinc/15/75/65/434157565.db2.gz OGYUJIIBPUULBU-OLZOCXBDSA-N 1 0 314.389 3.062 20 5 DGBDRO C[N@H+](CCc1cccc(Nc2ccc([N+](=O)[O-])nc2)c1)C1CC1 ZINC000450426143 434170161 /nfs/dbraw/zinc/17/01/61/434170161.db2.gz VVBQZCNRQIYABI-UHFFFAOYSA-N 1 0 312.373 3.370 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000357778517 434174445 /nfs/dbraw/zinc/17/44/45/434174445.db2.gz CUOGDSJBWRXESP-JTQLQIEISA-N 1 0 300.790 3.176 20 5 DGBDRO C[C@H]1[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CCC[N@@H+]1C ZINC000450442728 434184994 /nfs/dbraw/zinc/18/49/94/434184994.db2.gz TYYSXBGPMXKPOH-SMDDNHRTSA-N 1 0 300.362 3.038 20 5 DGBDRO CO[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295104300 434201073 /nfs/dbraw/zinc/20/10/73/434201073.db2.gz VILOTEVKXPLQDM-BVBGJJFLSA-N 1 0 304.390 3.355 20 5 DGBDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000357917425 434244457 /nfs/dbraw/zinc/24/44/57/434244457.db2.gz RIORKHIZVZAYRA-AWEZNQCLSA-N 1 0 302.378 3.101 20 5 DGBDRO CCC[C@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)OC ZINC000378771870 434252914 /nfs/dbraw/zinc/25/29/14/434252914.db2.gz MFQBMKFJKQXNOM-CYBMUJFWSA-N 1 0 303.362 3.100 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000286396979 434257082 /nfs/dbraw/zinc/25/70/82/434257082.db2.gz ZWGYOXNFFUOAJP-RISCZKNCSA-N 1 0 323.368 3.231 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000319798607 434229846 /nfs/dbraw/zinc/22/98/46/434229846.db2.gz IWIIXGOXLNMCST-IUODEOHRSA-N 1 0 314.341 3.085 20 5 DGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000320123296 434233158 /nfs/dbraw/zinc/23/31/58/434233158.db2.gz JFOXOWKPLXZKQT-GFCCVEGCSA-N 1 0 302.378 3.284 20 5 DGBDRO CN(CCC[NH+]1CCCC1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450504139 434233896 /nfs/dbraw/zinc/23/38/96/434233896.db2.gz XMRLZVGUCFBKBP-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO CC1(C)C[C@@H](O)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295262847 434280494 /nfs/dbraw/zinc/28/04/94/434280494.db2.gz RIXQVVFGJLEISB-ZKKXHLJNSA-N 1 0 304.390 3.091 20 5 DGBDRO Cc1cc(NCC2CC(F)(F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000383298373 434284381 /nfs/dbraw/zinc/28/43/81/434284381.db2.gz SNEWVKTZRXONQH-UHFFFAOYSA-N 1 0 307.300 3.331 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000437544414 434288231 /nfs/dbraw/zinc/28/82/31/434288231.db2.gz ZLHNGSUKHBJZOF-ZBFHGGJFSA-N 1 0 322.430 3.334 20 5 DGBDRO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000516906712 294638544 /nfs/dbraw/zinc/63/85/44/294638544.db2.gz ORFKSYOZVKUGCK-CABCVRRESA-N 1 0 318.377 3.009 20 5 DGBDRO N[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423238831 434302915 /nfs/dbraw/zinc/30/29/15/434302915.db2.gz JOXQONQIXUMZIW-ROUUACIJSA-N 1 0 311.385 3.262 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000390463924 434363632 /nfs/dbraw/zinc/36/36/32/434363632.db2.gz FRPROSKFPPPIDN-CYBMUJFWSA-N 1 0 314.389 3.285 20 5 DGBDRO CCOc1ccc([C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423327090 434367306 /nfs/dbraw/zinc/36/73/06/434367306.db2.gz CUWWETNUCUGSRV-DYVFJYSZSA-N 1 0 321.421 3.034 20 5 DGBDRO Cc1cc(NC[C@H]2CCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000388811999 434336882 /nfs/dbraw/zinc/33/68/82/434336882.db2.gz AEFBOXXFCMHBIY-OLZOCXBDSA-N 1 0 315.373 3.100 20 5 DGBDRO CCn1cc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417312775 434351895 /nfs/dbraw/zinc/35/18/95/434351895.db2.gz TTWFQCVNBCCPPT-KRWDZBQOSA-N 1 0 314.389 3.369 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000358151208 434352392 /nfs/dbraw/zinc/35/23/92/434352392.db2.gz CLCCBKKPNYQSHI-WBMJQRKESA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000358151252 434354829 /nfs/dbraw/zinc/35/48/29/434354829.db2.gz CSWXBCJHIAGTJZ-LRDDRELGSA-N 1 0 318.348 3.427 20 5 DGBDRO CCn1cc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000519180000 294757592 /nfs/dbraw/zinc/75/75/92/294757592.db2.gz FVRNVLHIORIQEX-NHYWBVRUSA-N 1 0 300.362 3.149 20 5 DGBDRO CCC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358159685 434356767 /nfs/dbraw/zinc/35/67/67/434356767.db2.gz RHYSMLYVKPZWKB-GOEBONIOSA-N 1 0 319.405 3.035 20 5 DGBDRO C[C@@H](CCO)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417351149 434360853 /nfs/dbraw/zinc/36/08/53/434360853.db2.gz RCGDQFVDLYTCPC-CXAGYDPISA-N 1 0 306.406 3.361 20 5 DGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000397819713 434446020 /nfs/dbraw/zinc/44/60/20/434446020.db2.gz UAGDFFDWXHZAFO-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000287586700 434404175 /nfs/dbraw/zinc/40/41/75/434404175.db2.gz RHKJBTBASKLWRL-XOKHGSTOSA-N 1 0 318.417 3.178 20 5 DGBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[C@@H]1O ZINC000348562490 434404172 /nfs/dbraw/zinc/40/41/72/434404172.db2.gz ZRWJQPPKIXUWTB-CVEARBPZSA-N 1 0 316.357 3.200 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000348641543 434428690 /nfs/dbraw/zinc/42/86/90/434428690.db2.gz LVUQBMGDGMFYSE-CPUCHLNUSA-N 1 0 306.406 3.434 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCC3=CCCCC3)CC2)n1 ZINC000450881657 434458516 /nfs/dbraw/zinc/45/85/16/434458516.db2.gz MSKDJOVOUHTINU-UHFFFAOYSA-N 1 0 304.394 3.319 20 5 DGBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCOC1 ZINC000348714414 434461601 /nfs/dbraw/zinc/46/16/01/434461601.db2.gz NRCHZWSPVPWHHY-OAHLLOKOSA-N 1 0 316.357 3.466 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000438345554 434464341 /nfs/dbraw/zinc/46/43/41/434464341.db2.gz HWSLSBZNZVULGK-ZDUSSCGKSA-N 1 0 322.405 3.480 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000287898109 434476377 /nfs/dbraw/zinc/47/63/77/434476377.db2.gz ZMBHNWNTFLATDS-NDMJEZRESA-N 1 0 318.295 3.355 20 5 DGBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000521601262 294879501 /nfs/dbraw/zinc/87/95/01/294879501.db2.gz VQUHFPDZIPGWKP-CUOATXAZSA-N 1 0 312.797 3.397 20 5 DGBDRO CCc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000521968292 294894669 /nfs/dbraw/zinc/89/46/69/294894669.db2.gz HFHXKUGPZKRFTP-UHFFFAOYSA-N 1 0 316.386 3.385 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1F ZINC000296081456 434500283 /nfs/dbraw/zinc/50/02/83/434500283.db2.gz SLOQZUVDGXGGMT-WQVCFCJDSA-N 1 0 320.364 3.171 20 5 DGBDRO CC(C)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000438337940 434458023 /nfs/dbraw/zinc/45/80/23/434458023.db2.gz BQUAFYLFSFURRW-ZDUSSCGKSA-N 1 0 320.389 3.329 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000353930247 434534055 /nfs/dbraw/zinc/53/40/55/434534055.db2.gz LJCNHEYQJCCKHN-LBPRGKRZSA-N 1 0 322.409 3.007 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000527304554 295090369 /nfs/dbraw/zinc/09/03/69/295090369.db2.gz SOOQDDUKARXMEG-RXBGNRNISA-N 1 0 315.417 3.168 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)Cc1ccccc1 ZINC000527349355 295093167 /nfs/dbraw/zinc/09/31/67/295093167.db2.gz CSFQHZVQADFJRC-HOCLYGCPSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1cc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000439131128 434570503 /nfs/dbraw/zinc/57/05/03/434570503.db2.gz VGNSMLFUYFFKTC-GUYCJALGSA-N 1 0 314.389 3.402 20 5 DGBDRO CC[NH+](CC)CCCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439248066 434580429 /nfs/dbraw/zinc/58/04/29/434580429.db2.gz OGVFCAQPAOKUCG-UHFFFAOYSA-N 1 0 321.421 3.180 20 5 DGBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000418111649 434589778 /nfs/dbraw/zinc/58/97/78/434589778.db2.gz AEONYIMINBFNKC-SRVKXCTJSA-N 1 0 308.378 3.088 20 5 DGBDRO C[NH+](C)[C@@]1(CNc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000349190416 434630440 /nfs/dbraw/zinc/63/04/40/434630440.db2.gz JRXOCSULRMDZLE-CYBMUJFWSA-N 1 0 315.826 3.097 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000459607475 434630975 /nfs/dbraw/zinc/63/09/75/434630975.db2.gz GVZJUKFUMCNJSR-GUYCJALGSA-N 1 0 319.405 3.400 20 5 DGBDRO CC(C)n1cncc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000424141676 434632630 /nfs/dbraw/zinc/63/26/30/434632630.db2.gz HKZJQTWEIZDUNI-UHFFFAOYSA-N 1 0 316.405 3.485 20 5 DGBDRO Cc1ccc(CN2CC(COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000459627408 434638956 /nfs/dbraw/zinc/63/89/56/434638956.db2.gz BGMLGZNIJSBYSR-UHFFFAOYSA-N 1 0 312.369 3.414 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459753279 434698121 /nfs/dbraw/zinc/69/81/21/434698121.db2.gz LWVDARZPDBKCEY-UHFFFAOYSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC000360665802 434662434 /nfs/dbraw/zinc/66/24/34/434662434.db2.gz YZLQFFYBJVAUHF-OAHLLOKOSA-N 1 0 306.410 3.221 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000349356660 434688777 /nfs/dbraw/zinc/68/87/77/434688777.db2.gz VYVANRNULMLDSQ-WBMJQRKESA-N 1 0 316.357 3.058 20 5 DGBDRO COc1cc(C[N@H+](C)C2CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000459742336 434689986 /nfs/dbraw/zinc/68/99/86/434689986.db2.gz VTIDLMAZUKZJAG-UHFFFAOYSA-N 1 0 308.378 3.232 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000371442631 434703860 /nfs/dbraw/zinc/70/38/60/434703860.db2.gz KBWUVKNVTNVGOW-HOTGVXAUSA-N 1 0 304.390 3.233 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000371801755 434754688 /nfs/dbraw/zinc/75/46/88/434754688.db2.gz HURXBFFMFSYDEL-NJELEJDNSA-N 1 0 316.401 3.357 20 5 DGBDRO C[C@H](C1CC1)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411173266 434739986 /nfs/dbraw/zinc/73/99/86/434739986.db2.gz LQRKRIZHHHYZNX-GFCCVEGCSA-N 1 0 317.389 3.186 20 5 DGBDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000419313213 434770874 /nfs/dbraw/zinc/77/08/74/434770874.db2.gz GEVJOXQQQPVINL-QWHCGFSZSA-N 1 0 319.405 3.256 20 5 DGBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000371944614 434774192 /nfs/dbraw/zinc/77/41/92/434774192.db2.gz WJHGWUOVMAOEPU-QGZVFWFLSA-N 1 0 314.389 3.282 20 5 DGBDRO CCC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000453120511 434806474 /nfs/dbraw/zinc/80/64/74/434806474.db2.gz NMSQDAZRILQYEO-CYBMUJFWSA-N 1 0 305.378 3.092 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000361150308 434812717 /nfs/dbraw/zinc/81/27/17/434812717.db2.gz PODHAEXEKDMWMM-UHFFFAOYSA-N 1 0 317.336 3.196 20 5 DGBDRO C[C@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000453149026 434817672 /nfs/dbraw/zinc/81/76/72/434817672.db2.gz KHCHVVCSXSMCHH-XJKSGUPXSA-N 1 0 314.389 3.410 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCC3(O)CCC3)C2)cc1 ZINC000411795673 434831518 /nfs/dbraw/zinc/83/15/18/434831518.db2.gz VFGOCTMMEPTZBR-OAHLLOKOSA-N 1 0 304.390 3.079 20 5 DGBDRO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000372675562 434845794 /nfs/dbraw/zinc/84/57/94/434845794.db2.gz QBDCGOOAPKLKDM-CYBMUJFWSA-N 1 0 314.389 3.021 20 5 DGBDRO Cc1c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411956531 434848477 /nfs/dbraw/zinc/84/84/77/434848477.db2.gz WDPXDZBPQKXEGB-FUHWJXTLSA-N 1 0 312.369 3.211 20 5 DGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000412041352 434859087 /nfs/dbraw/zinc/85/90/87/434859087.db2.gz LFFLDWAICDMJQH-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412041451 434859400 /nfs/dbraw/zinc/85/94/00/434859400.db2.gz LIJNQRSDDUEJHY-VXGBXAGGSA-N 1 0 305.378 3.042 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000573137677 434877263 /nfs/dbraw/zinc/87/72/63/434877263.db2.gz WAFFDDKENRUOMP-NUTKFTJISA-N 1 0 302.374 3.129 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@@H](c3ccncc3)C2)c(F)c1 ZINC000521894273 434900041 /nfs/dbraw/zinc/90/00/41/434900041.db2.gz NLVHYTGGYXUZOR-GFCCVEGCSA-N 1 0 319.311 3.258 20 5 DGBDRO CC(C)[C@@H](CO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000554096014 434914077 /nfs/dbraw/zinc/91/40/77/434914077.db2.gz VQSKRXISYATFAV-WBMJQRKESA-N 1 0 306.406 3.171 20 5 DGBDRO CC(C)[C@H](CO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000554096004 434914127 /nfs/dbraw/zinc/91/41/27/434914127.db2.gz VQSKRXISYATFAV-BLLLJJGKSA-N 1 0 306.406 3.171 20 5 DGBDRO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000573707930 434919998 /nfs/dbraw/zinc/91/99/98/434919998.db2.gz NWCCHNULYXIFCW-PELKAZGASA-N 1 0 318.204 3.288 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)CCC2 ZINC000554120189 434915697 /nfs/dbraw/zinc/91/56/97/434915697.db2.gz JZCBCZXAWUAIOX-IYOUNJFTSA-N 1 0 318.417 3.361 20 5 DGBDRO CO[C@](C)(C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462912110 434936877 /nfs/dbraw/zinc/93/68/77/434936877.db2.gz ISJWACWVDFERKX-HOFZKYPUSA-N 1 0 304.390 3.403 20 5 DGBDRO CO[C@](C)(C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462912111 434937330 /nfs/dbraw/zinc/93/73/30/434937330.db2.gz ISJWACWVDFERKX-JZUUQJBKSA-N 1 0 304.390 3.403 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574219962 434960905 /nfs/dbraw/zinc/96/09/05/434960905.db2.gz YFOUUNOJWYOQKU-CZUORRHYSA-N 1 0 305.422 3.292 20 5 DGBDRO Cc1nc2cc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)ccc2n1C ZINC000524746167 434987632 /nfs/dbraw/zinc/98/76/32/434987632.db2.gz FRMKSWMJCHTGGM-UHFFFAOYSA-N 1 0 324.340 3.351 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000524893396 434996745 /nfs/dbraw/zinc/99/67/45/434996745.db2.gz QOZIWFMBITZPTO-CVEARBPZSA-N 1 0 322.405 3.109 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000556240350 435000982 /nfs/dbraw/zinc/00/09/82/435000982.db2.gz XNHPRJVTAQTQGM-KMFMINBZSA-N 1 0 320.433 3.445 20 5 DGBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000578244805 435069618 /nfs/dbraw/zinc/06/96/18/435069618.db2.gz LMKXCHDECLXHCG-JSGCOSHPSA-N 1 0 315.373 3.166 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000466471005 435078596 /nfs/dbraw/zinc/07/85/96/435078596.db2.gz BITSMOUZDDVGKJ-UYWPIULCSA-N 1 0 314.316 3.470 20 5 DGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000466928547 435100494 /nfs/dbraw/zinc/10/04/94/435100494.db2.gz FIRGWNVBWITAKU-WCQYABFASA-N 1 0 316.361 3.265 20 5 DGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000466931583 435101941 /nfs/dbraw/zinc/10/19/41/435101941.db2.gz XCKAUAWHMBJQKG-OLZOCXBDSA-N 1 0 308.378 3.103 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000467432857 435121314 /nfs/dbraw/zinc/12/13/14/435121314.db2.gz FVFAYURZQDVPHJ-HIFRSBDPSA-N 1 0 306.406 3.434 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[C@H]1C ZINC000467431758 435122206 /nfs/dbraw/zinc/12/22/06/435122206.db2.gz DKYNZYBDRBZELV-MGPQQGTHSA-N 1 0 319.405 3.338 20 5 DGBDRO CCO[C@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000559817031 435139453 /nfs/dbraw/zinc/13/94/53/435139453.db2.gz OHUOKFYKSFSFHS-CJNGLKHVSA-N 1 0 302.330 3.122 20 5 DGBDRO CO[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000559897036 435143334 /nfs/dbraw/zinc/14/33/34/435143334.db2.gz FKKHBGYTRJNFGC-JKSUJKDBSA-N 1 0 304.390 3.332 20 5 DGBDRO COc1ncccc1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000579295013 435144312 /nfs/dbraw/zinc/14/43/12/435144312.db2.gz GFKMQOHHAVRBEX-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO CCC[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240064 435152401 /nfs/dbraw/zinc/15/24/01/435152401.db2.gz GNVDNJUIJYJBFP-WMLDXEAASA-N 1 0 305.422 3.367 20 5 DGBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000478241029 435293176 /nfs/dbraw/zinc/29/31/76/435293176.db2.gz VKIJRKIIKQCUNZ-WFASDCNBSA-N 1 0 310.369 3.417 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](c4cccnc4)C3)nc2c1 ZINC000567798014 435355532 /nfs/dbraw/zinc/35/55/32/435355532.db2.gz IJCULMZAIHQECQ-CYBMUJFWSA-N 1 0 324.340 3.121 20 5 DGBDRO CCC[NH+]1CCC(Nc2ccc(C(=O)CC)cc2[N+](=O)[O-])CC1 ZINC000479906799 435359094 /nfs/dbraw/zinc/35/90/94/435359094.db2.gz AHOFRMPZBYTJNO-UHFFFAOYSA-N 1 0 319.405 3.474 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CC2(N(C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000480146531 435366584 /nfs/dbraw/zinc/36/65/84/435366584.db2.gz JLEDOUQRLKXKNO-AWEZNQCLSA-N 1 0 305.422 3.428 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnn2ccccc12 ZINC000512868980 435372304 /nfs/dbraw/zinc/37/23/04/435372304.db2.gz LLJFVMBBIYIUAS-NTEUORMPSA-N 1 0 322.368 3.436 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000537972714 435478499 /nfs/dbraw/zinc/47/84/99/435478499.db2.gz YPWCRSZIWIWJPC-AWEZNQCLSA-N 1 0 305.422 3.427 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000515367165 435479696 /nfs/dbraw/zinc/47/96/96/435479696.db2.gz WKFHFBLRYVJHTH-ZDUSSCGKSA-N 1 0 314.389 3.285 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2CCCC[C@H]2O)C2CC2)c1 ZINC000514605711 435424972 /nfs/dbraw/zinc/42/49/72/435424972.db2.gz OPKQZNRSCASVPV-WMLDXEAASA-N 1 0 304.390 3.110 20 5 DGBDRO CCN1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482864344 435485143 /nfs/dbraw/zinc/48/51/43/435485143.db2.gz AQXTYVGAJQNWQV-ZBFHGGJFSA-N 1 0 305.422 3.428 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000483111182 435495924 /nfs/dbraw/zinc/49/59/24/435495924.db2.gz ZRAGQAKGMSKNDT-CQSZACIVSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000539316740 435547453 /nfs/dbraw/zinc/54/74/53/435547453.db2.gz KRSXPXNDPPNZGP-UHFFFAOYSA-N 1 0 316.332 3.392 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1(C)C ZINC000484292983 435541335 /nfs/dbraw/zinc/54/13/35/435541335.db2.gz PUNOALRHGRQONB-BHYGNILZSA-N 1 0 318.417 3.319 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1(C)C ZINC000484292988 435542792 /nfs/dbraw/zinc/54/27/92/435542792.db2.gz PUNOALRHGRQONB-USXIJHARSA-N 1 0 318.417 3.319 20 5 DGBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000488333125 435636455 /nfs/dbraw/zinc/63/64/55/435636455.db2.gz CMPDZNSFBVDGBJ-WCQYABFASA-N 1 0 319.405 3.029 20 5 DGBDRO C[C@@H](CCO)C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000519551971 435686940 /nfs/dbraw/zinc/68/69/40/435686940.db2.gz MVRZKLLWSIXWNV-XJKSGUPXSA-N 1 0 318.417 3.361 20 5 DGBDRO Cc1cccc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000549198642 435749060 /nfs/dbraw/zinc/74/90/60/435749060.db2.gz RIBBNMGFKIYUQC-ZDUSSCGKSA-N 1 0 303.406 3.214 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1COC ZINC000571936139 435761480 /nfs/dbraw/zinc/76/14/80/435761480.db2.gz YBWXEXBTIWQTJL-ZDUSSCGKSA-N 1 0 309.410 3.274 20 5 DGBDRO Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000548826140 435721457 /nfs/dbraw/zinc/72/14/57/435721457.db2.gz WUFQBCVYCMJSSF-UHFFFAOYSA-N 1 0 313.357 3.022 20 5 DGBDRO CO[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000550895959 435812656 /nfs/dbraw/zinc/81/26/56/435812656.db2.gz ZGFBZLRDYJUKDL-UWWQBHOKSA-N 1 0 318.417 3.321 20 5 DGBDRO COC1(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000549807751 435779206 /nfs/dbraw/zinc/77/92/06/435779206.db2.gz AEUJJHVAVQGVPK-UHFFFAOYSA-N 1 0 306.406 3.418 20 5 DGBDRO CC1([NH3+])CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000646995785 435932272 /nfs/dbraw/zinc/93/22/72/435932272.db2.gz QPZUWDORYNMHDA-UHFFFAOYSA-N 1 0 319.408 3.341 20 5 DGBDRO C[C@@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000539970329 313940138 /nfs/dbraw/zinc/94/01/38/313940138.db2.gz RRXNROQYDVVALD-KEYYUXOJSA-N 1 0 318.417 3.321 20 5 DGBDRO CSC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000540189221 313952310 /nfs/dbraw/zinc/95/23/10/313952310.db2.gz YTMCCGHUFPWXKI-ZDUSSCGKSA-N 1 0 324.446 3.466 20 5 DGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000540395826 313958269 /nfs/dbraw/zinc/95/82/69/313958269.db2.gz AVXKKVAWMXFTFR-UKPHBRMFSA-N 1 0 306.406 3.321 20 5 DGBDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000540591531 313966884 /nfs/dbraw/zinc/96/68/84/313966884.db2.gz DDKIJGXKERDZBI-OAHLLOKOSA-N 1 0 310.394 3.397 20 5 DGBDRO CCc1ccc([C@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000541980874 314050773 /nfs/dbraw/zinc/05/07/73/314050773.db2.gz IRUCALLWYFLIPN-KRWDZBQOSA-N 1 0 314.385 3.289 20 5 DGBDRO COC(=O)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000542532560 314083389 /nfs/dbraw/zinc/08/33/89/314083389.db2.gz RVBGDBRJPBWEGP-MRXNPFEDSA-N 1 0 320.389 3.196 20 5 DGBDRO C[C@H]1COc2ccccc2C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000542947990 314108122 /nfs/dbraw/zinc/10/81/22/314108122.db2.gz NPLDNUDYIIVHGT-AWEZNQCLSA-N 1 0 312.369 3.420 20 5 DGBDRO CC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000544574745 314200292 /nfs/dbraw/zinc/20/02/92/314200292.db2.gz HBVWQWQPFSDVEI-MRXNPFEDSA-N 1 0 316.405 3.392 20 5 DGBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000545474598 314253678 /nfs/dbraw/zinc/25/36/78/314253678.db2.gz UFCCPUHKBYMCBN-UHFFFAOYSA-N 1 0 319.405 3.446 20 5 DGBDRO CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548160238 314427779 /nfs/dbraw/zinc/42/77/79/314427779.db2.gz TZJZSIFIPCEGJM-UONOGXRCSA-N 1 0 319.405 3.482 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000550895623 314545218 /nfs/dbraw/zinc/54/52/18/314545218.db2.gz PPKIVJHVGLZRKJ-XJKSGUPXSA-N 1 0 306.406 3.434 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000564508160 315179714 /nfs/dbraw/zinc/17/97/14/315179714.db2.gz BJXQWNIUQAHQLH-RRQGHBQHSA-N 1 0 303.406 3.181 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000564676996 315191497 /nfs/dbraw/zinc/19/14/97/315191497.db2.gz YCWJKIYGVBZPAP-UHFFFAOYSA-N 1 0 321.396 3.436 20 5 DGBDRO C[C@@H](c1nc(C2([NH3+])CCCCC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000564833036 315204133 /nfs/dbraw/zinc/20/41/33/315204133.db2.gz KEJOSSWRRIZZGW-LLVKDONJSA-N 1 0 316.361 3.248 20 5 DGBDRO CCOc1cc(CSCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000564925379 315212814 /nfs/dbraw/zinc/21/28/14/315212814.db2.gz BLRVZRKYOOYJQY-UHFFFAOYSA-N 1 0 310.419 3.226 20 5 DGBDRO CC1(C)[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000565434836 315261823 /nfs/dbraw/zinc/26/18/23/315261823.db2.gz VRJJYLCFNWGWEF-XOSAIJSUSA-N 1 0 316.401 3.375 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000570985976 315689201 /nfs/dbraw/zinc/68/92/01/315689201.db2.gz WZVRWAFPUBTELB-CZUORRHYSA-N 1 0 310.353 3.175 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000575364435 316050097 /nfs/dbraw/zinc/05/00/97/316050097.db2.gz QXYDMQXPWRSXCZ-ZDUSSCGKSA-N 1 0 321.421 3.007 20 5 DGBDRO CC(C)(C)[NH+]1CCC(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000575934482 316077444 /nfs/dbraw/zinc/07/74/44/316077444.db2.gz OVSSFGCOVONJTP-MRXNPFEDSA-N 1 0 317.433 3.435 20 5 DGBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000576006004 316085895 /nfs/dbraw/zinc/08/58/95/316085895.db2.gz MHUAJXQPQYMHDM-LLVKDONJSA-N 1 0 317.311 3.144 20 5 DGBDRO CN(C)[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000576052119 316089148 /nfs/dbraw/zinc/08/91/48/316089148.db2.gz BLEOCNYDVXPFOA-GOEBONIOSA-N 1 0 315.373 3.068 20 5 DGBDRO COc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000576232402 316108449 /nfs/dbraw/zinc/10/84/49/316108449.db2.gz QQGQFWNZOCOIBO-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCN1CCCCCC1 ZINC000576886685 316178876 /nfs/dbraw/zinc/17/88/76/316178876.db2.gz MKCWJYRXURRLTN-INIZCTEOSA-N 1 0 303.406 3.048 20 5 DGBDRO CCC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000577338363 316225205 /nfs/dbraw/zinc/22/52/05/316225205.db2.gz VCSRCZPBQHDECK-KBPBESRZSA-N 1 0 306.410 3.445 20 5 DGBDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000577693143 316259847 /nfs/dbraw/zinc/25/98/47/316259847.db2.gz CFZDOJNEOZIZNK-GDBMZVCRSA-N 1 0 302.330 3.122 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)C1CC1 ZINC000577733385 316264770 /nfs/dbraw/zinc/26/47/70/316264770.db2.gz KYLGUPKYXKWKPG-UONOGXRCSA-N 1 0 324.446 3.074 20 5 DGBDRO Cc1ccccc1[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000180083760 323220838 /nfs/dbraw/zinc/22/08/38/323220838.db2.gz BHGHPXMMQSFBDP-MRXNPFEDSA-N 1 0 316.405 3.477 20 5 DGBDRO COC(=O)c1oc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180436746 323229124 /nfs/dbraw/zinc/22/91/24/323229124.db2.gz AXTGCUKWXOALGL-NSHDSACASA-N 1 0 318.329 3.134 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000181695406 323264470 /nfs/dbraw/zinc/26/44/70/323264470.db2.gz WQWRQDYVGUCXPK-JKSUJKDBSA-N 1 0 320.389 3.041 20 5 DGBDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183079217 323323724 /nfs/dbraw/zinc/32/37/24/323323724.db2.gz SJRCVUKBUYXXGW-UWVGGRQHSA-N 1 0 313.785 3.211 20 5 DGBDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000579799970 323918031 /nfs/dbraw/zinc/91/80/31/323918031.db2.gz LNVJIOWHBMUBJI-BBRMVZONSA-N 1 0 321.421 3.057 20 5 DGBDRO C[C@@H]1C[C@H](CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000580582125 324016224 /nfs/dbraw/zinc/01/62/24/324016224.db2.gz MACBJUMFFZPNTD-IOASZLSFSA-N 1 0 304.390 3.377 20 5 DGBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCCC1 ZINC000580843970 324045871 /nfs/dbraw/zinc/04/58/71/324045871.db2.gz KLXFZKPQDSRONK-MRXNPFEDSA-N 1 0 317.433 3.436 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000581147904 324080904 /nfs/dbraw/zinc/08/09/04/324080904.db2.gz VFIBGJYGQIDDDN-ZBFHGGJFSA-N 1 0 305.422 3.428 20 5 DGBDRO CC(C)[C@H](O)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000582645807 324256286 /nfs/dbraw/zinc/25/62/86/324256286.db2.gz XGRHAZFFRHIFQD-IRXDYDNUSA-N 1 0 318.417 3.359 20 5 DGBDRO Cc1nc(C)c(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000582974556 324298546 /nfs/dbraw/zinc/29/85/46/324298546.db2.gz FKGCQEKGABPBAE-CQSZACIVSA-N 1 0 317.414 3.488 20 5 DGBDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330867227 533709325 /nfs/dbraw/zinc/70/93/25/533709325.db2.gz VODYGPABHJSQOQ-WCQYABFASA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000436412492 533715117 /nfs/dbraw/zinc/71/51/17/533715117.db2.gz RKOLHDXGFLHECJ-SWLSCSKDSA-N 1 0 314.389 3.274 20 5 DGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000218478432 337326348 /nfs/dbraw/zinc/32/63/48/337326348.db2.gz GAZSHKOOVTZNNS-XJKCOSOUSA-N 1 0 319.405 3.338 20 5 DGBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000237793183 340674034 /nfs/dbraw/zinc/67/40/34/340674034.db2.gz ARVZFDNKTLLCCO-AWEZNQCLSA-N 1 0 319.408 3.199 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413055808 533799249 /nfs/dbraw/zinc/79/92/49/533799249.db2.gz BPNQCBFJMYQPHZ-BETUJISGSA-N 1 0 324.400 3.299 20 5 DGBDRO Cc1c(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000443685340 533913522 /nfs/dbraw/zinc/91/35/22/533913522.db2.gz SQKIFCPLEJBNDV-GFCCVEGCSA-N 1 0 322.409 3.001 20 5 DGBDRO C[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000314423361 534090405 /nfs/dbraw/zinc/09/04/05/534090405.db2.gz VYVCXAIVHBBJSJ-VIFPVBQESA-N 1 0 305.300 3.223 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000415294520 534323658 /nfs/dbraw/zinc/32/36/58/534323658.db2.gz KSUDTHZWHFMQSO-MRXNPFEDSA-N 1 0 322.409 3.097 20 5 DGBDRO O=C(CC[NH+](CC1CC1)CC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411374497 534392324 /nfs/dbraw/zinc/39/23/24/534392324.db2.gz MGNLTNJUOTZZGC-UHFFFAOYSA-N 1 0 317.389 3.045 20 5 DGBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000331360170 534460734 /nfs/dbraw/zinc/46/07/34/534460734.db2.gz XMIWMNIEGWASRW-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1cccc(CCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000294532082 534689619 /nfs/dbraw/zinc/68/96/19/534689619.db2.gz ZYCAFKBJSVUVNO-ZDUSSCGKSA-N 1 0 314.389 3.164 20 5 DGBDRO [NH3+][C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000435376872 534731941 /nfs/dbraw/zinc/73/19/41/534731941.db2.gz VQHHEQYMMAJTJF-JTQLQIEISA-N 1 0 321.764 3.041 20 5 DGBDRO Cc1c(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000156435680 525708083 /nfs/dbraw/zinc/70/80/83/525708083.db2.gz HIXWXGBXWYIPAP-SUMWQHHRSA-N 1 0 314.389 3.183 20 5 DGBDRO CC(C)(C)[C@H](C[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415059990 526696602 /nfs/dbraw/zinc/69/66/02/526696602.db2.gz VSOHKHSSZPHLBM-INIZCTEOSA-N 1 0 317.389 3.318 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000432787620 527500458 /nfs/dbraw/zinc/50/04/58/527500458.db2.gz TWNPDJSLWYJONS-MLRPBERTSA-N 1 0 317.433 3.414 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000432787622 527528526 /nfs/dbraw/zinc/52/85/26/527528526.db2.gz TWNPDJSLWYJONS-VMEIHUARSA-N 1 0 317.433 3.414 20 5 DGBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331301663 527945898 /nfs/dbraw/zinc/94/58/98/527945898.db2.gz ROBYIOOWUWSDLL-HNNXBMFYSA-N 1 0 312.797 3.375 20 5 DGBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000444768970 527946581 /nfs/dbraw/zinc/94/65/81/527946581.db2.gz GWKLESGLVWVECI-KRWDZBQOSA-N 1 0 322.405 3.121 20 5 DGBDRO CC[NH+](CC)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000357438642 528134547 /nfs/dbraw/zinc/13/45/47/528134547.db2.gz UCTCBVWVKYJUMJ-UHFFFAOYSA-N 1 0 321.424 3.460 20 5 DGBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000301057319 528467322 /nfs/dbraw/zinc/46/73/22/528467322.db2.gz ADBMAGJJPFUVKX-OAHLLOKOSA-N 1 0 306.410 3.158 20 5 DGBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000444784276 528516486 /nfs/dbraw/zinc/51/64/86/528516486.db2.gz NOMYAAXSPGVFMK-OAHLLOKOSA-N 1 0 312.797 3.375 20 5 DGBDRO CC[N@H+](CCNc1nccc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000413119017 528519104 /nfs/dbraw/zinc/51/91/04/528519104.db2.gz WKTXEJDSCVOCJV-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO CC(C)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000444774481 528669438 /nfs/dbraw/zinc/66/94/38/528669438.db2.gz WNDHIAXAWKBLRV-ZIAGYGMSSA-N 1 0 319.405 3.290 20 5 DGBDRO CCOc1cccc(N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000302094562 528675656 /nfs/dbraw/zinc/67/56/56/528675656.db2.gz RHACUVUHIXOSHW-ZDUSSCGKSA-N 1 0 307.394 3.280 20 5 DGBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000317006394 529169689 /nfs/dbraw/zinc/16/96/89/529169689.db2.gz MDEFKUFUMDXIRW-OAHLLOKOSA-N 1 0 303.337 3.412 20 5 DGBDRO CC[C@@H](O)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433284179 529220886 /nfs/dbraw/zinc/22/08/86/529220886.db2.gz JLFZHTJDDHXMNP-CJNGLKHVSA-N 1 0 306.406 3.458 20 5 DGBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429784469 529312399 /nfs/dbraw/zinc/31/23/99/529312399.db2.gz JMMUNBANHNNQJK-ZOWXZIJZSA-N 1 0 305.378 3.090 20 5 DGBDRO CC(C)[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000449078060 535021378 /nfs/dbraw/zinc/02/13/78/535021378.db2.gz UAYIHTJJZUOTTE-QAPCUYQASA-N 1 0 319.449 3.236 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(C)CCO[C@H]1C ZINC000494225104 535022668 /nfs/dbraw/zinc/02/26/68/535022668.db2.gz XVNABZBGPJIMHN-BLLLJJGKSA-N 1 0 308.378 3.039 20 5 DGBDRO CCOCCC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449198166 535488293 /nfs/dbraw/zinc/48/82/93/535488293.db2.gz ADUMXHRUIQRTTD-CQSZACIVSA-N 1 0 306.406 3.322 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](O)CC ZINC000449639772 535805678 /nfs/dbraw/zinc/80/56/78/535805678.db2.gz QNVBOGNOTIXQCX-ZBFHGGJFSA-N 1 0 318.373 3.494 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](O)CC ZINC000449641200 535805680 /nfs/dbraw/zinc/80/56/80/535805680.db2.gz UPTGUHCGMFMQKS-CVEARBPZSA-N 1 0 318.373 3.494 20 5 DGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449637035 536011056 /nfs/dbraw/zinc/01/10/56/536011056.db2.gz FVGCGHZRRVCYDN-SCNOPHJPSA-N 1 0 320.433 3.445 20 5 DGBDRO C[C@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000741016662 574523697 /nfs/dbraw/zinc/52/36/97/574523697.db2.gz IZHLZYVULRZQHW-IJLUTSLNSA-N 1 0 324.352 3.038 20 5 DGBDRO CCCCCC[N@H+](C)CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000732268376 574569725 /nfs/dbraw/zinc/56/97/25/574569725.db2.gz DCSDPKNUSVCNTF-UHFFFAOYSA-N 1 0 321.421 3.065 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)C3CC3)s2)cc1 ZINC000734164875 574653703 /nfs/dbraw/zinc/65/37/03/574653703.db2.gz QSRYIAQOYXVLDE-OAHLLOKOSA-N 1 0 318.398 3.184 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)C2CC2)s1 ZINC000734163071 574653743 /nfs/dbraw/zinc/65/37/43/574653743.db2.gz ABLGOGQCNCBKGL-CQSZACIVSA-N 1 0 318.398 3.184 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000746048893 575429182 /nfs/dbraw/zinc/42/91/82/575429182.db2.gz LPKSVQVVIOWSAA-BZNIZROVSA-N 1 0 304.321 3.118 20 5 DGBDRO Cc1cc(F)ccc1[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000746654244 575467104 /nfs/dbraw/zinc/46/71/04/575467104.db2.gz IAXKMRPDOIBKLF-KRWDZBQOSA-N 1 0 318.348 3.208 20 5 DGBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748792964 575607261 /nfs/dbraw/zinc/60/72/61/575607261.db2.gz USAJXACHKFQLEW-AWEZNQCLSA-N 1 0 302.378 3.413 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000749558953 575665055 /nfs/dbraw/zinc/66/50/55/575665055.db2.gz KDZXNMOILVDIBI-OLZOCXBDSA-N 1 0 324.808 3.497 20 5 DGBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749692935 575673195 /nfs/dbraw/zinc/67/31/95/575673195.db2.gz UOWVNDONUZQFIP-ROUUACIJSA-N 1 0 312.369 3.214 20 5 DGBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000752074878 575821117 /nfs/dbraw/zinc/82/11/17/575821117.db2.gz JAAQRYQMUOTFNT-HOCLYGCPSA-N 1 0 310.369 3.369 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCN1CCc2ccccc21 ZINC000726605981 576032656 /nfs/dbraw/zinc/03/26/56/576032656.db2.gz OHIQNIDQGQSJPF-VMPITWQZSA-N 1 0 323.396 3.260 20 5 DGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000917064689 620654592 /nfs/dbraw/zinc/65/45/92/620654592.db2.gz GLEAXIZQYIZYNQ-VXGBXAGGSA-N 1 0 322.365 3.178 20 5 DGBDRO CC(C)C[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853089846 620667123 /nfs/dbraw/zinc/66/71/23/620667123.db2.gz YLFVRAXHPZUTDG-UHFFFAOYSA-N 1 0 313.348 3.310 20 5 DGBDRO CC[N@H+](CCc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917466754 620670788 /nfs/dbraw/zinc/67/07/88/620670788.db2.gz NIXIOWGJUMVZAE-UHFFFAOYSA-N 1 0 324.384 3.467 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000853851619 620745665 /nfs/dbraw/zinc/74/56/65/620745665.db2.gz XRAPWKGSSBBRKH-ZDUSSCGKSA-N 1 0 304.394 3.117 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1NCC1CC[NH+](CC2CC2)CC1 ZINC000853983832 620759751 /nfs/dbraw/zinc/75/97/51/620759751.db2.gz BGTXIEATMRBSOR-UHFFFAOYSA-N 1 0 307.369 3.268 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000854000540 620761243 /nfs/dbraw/zinc/76/12/43/620761243.db2.gz ZVUFTWSGIPLBML-ZDUSSCGKSA-N 1 0 307.369 3.268 20 5 DGBDRO CN(CC[NH+]1CCCCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000919880922 620770159 /nfs/dbraw/zinc/77/01/59/620770159.db2.gz ZMHRWTCHEFXETM-UHFFFAOYSA-N 1 0 311.813 3.166 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CCCc2ccccc2)c1[N+](=O)[O-] ZINC000892423654 618062985 /nfs/dbraw/zinc/06/29/85/618062985.db2.gz TXTZKIBILLKYSV-UHFFFAOYSA-N 1 0 316.357 3.031 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892510086 618090016 /nfs/dbraw/zinc/09/00/16/618090016.db2.gz GMAKBSDKYZHRDK-NSHDSACASA-N 1 0 322.796 3.179 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H](C)Cc2cccs2)c1[N+](=O)[O-] ZINC000892521330 618097834 /nfs/dbraw/zinc/09/78/34/618097834.db2.gz QGHJBSYWYFBXGO-JTQLQIEISA-N 1 0 322.386 3.091 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892743943 618299952 /nfs/dbraw/zinc/29/99/52/618299952.db2.gz WZFMYVMNYGRADX-GFCCVEGCSA-N 1 0 311.813 3.070 20 5 DGBDRO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000893402638 618546821 /nfs/dbraw/zinc/54/68/21/618546821.db2.gz NWTSCIZJENJPMO-UHFFFAOYSA-N 1 0 310.737 3.182 20 5 DGBDRO CCc1cccc(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])c1 ZINC000895177646 618567002 /nfs/dbraw/zinc/56/70/02/618567002.db2.gz GZXQLJHXOMEDHG-UHFFFAOYSA-N 1 0 316.357 3.161 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000893615844 618617451 /nfs/dbraw/zinc/61/74/51/618617451.db2.gz BLOKMNJHLWBPNO-ZFWWWQNUSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC1CC([NH+]2CCCCC2)C1 ZINC000894173151 618724116 /nfs/dbraw/zinc/72/41/16/618724116.db2.gz ZTYBDDJIMKKMFN-UHFFFAOYSA-N 1 0 323.824 3.355 20 5 DGBDRO CCC([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])(C1CC1)C1CC1 ZINC000895570508 618799881 /nfs/dbraw/zinc/79/98/81/618799881.db2.gz JZSMAHFBUCGEPI-UHFFFAOYSA-N 1 0 320.389 3.367 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@H](C)[C@@]23C[C@@H]2CCCC3)c1[N+](=O)[O-] ZINC000895752183 618827172 /nfs/dbraw/zinc/82/71/72/618827172.db2.gz GPGXAPUTWAODLV-BTJLNZGRSA-N 1 0 320.389 3.367 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC(C)(C)C(C)(F)F)c1[N+](=O)[O-] ZINC000895832120 618839252 /nfs/dbraw/zinc/83/92/52/618839252.db2.gz AZLSMXDPQBSWJU-UHFFFAOYSA-N 1 0 318.320 3.080 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000896046210 618865645 /nfs/dbraw/zinc/86/56/45/618865645.db2.gz BAORSRCAXRFJHJ-ZDUSSCGKSA-N 1 0 310.781 3.297 20 5 DGBDRO CSC1CCC(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000896254177 618892422 /nfs/dbraw/zinc/89/24/22/618892422.db2.gz GQCIJYYRLBDAAT-UHFFFAOYSA-N 1 0 324.450 3.006 20 5 DGBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000896802153 618961132 /nfs/dbraw/zinc/96/11/32/618961132.db2.gz BRFSULNKQUAAQL-XGNXJENSSA-N 1 0 318.352 3.293 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3C[C@H]3C(F)(F)F)nc2c1 ZINC000896863107 618972117 /nfs/dbraw/zinc/97/21/17/618972117.db2.gz OYEAEWURQCXERV-IONNQARKSA-N 1 0 315.251 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23C[C@H]2COC32CCC2)cc1Cl ZINC000897388569 619101780 /nfs/dbraw/zinc/10/17/80/619101780.db2.gz IJCVKJHDKOOKCS-XHDPSFHLSA-N 1 0 308.765 3.049 20 5 DGBDRO C[C@H](C[NH2+]Cc1cn2ccnc2s1)c1ccccc1[N+](=O)[O-] ZINC000897458963 619129863 /nfs/dbraw/zinc/12/98/63/619129863.db2.gz GRIQAKAPZKATPT-LLVKDONJSA-N 1 0 316.386 3.197 20 5 DGBDRO C[C@@H](C[NH2+][C@H](c1nccn1C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897459347 619130182 /nfs/dbraw/zinc/13/01/82/619130182.db2.gz KVSLRSWKGFRBAO-LRDDRELGSA-N 1 0 314.389 3.173 20 5 DGBDRO C[C@@H](C[NH2+]Cc1nccn1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897461081 619130209 /nfs/dbraw/zinc/13/02/09/619130209.db2.gz YMXDVXKSBCYUPM-LBPRGKRZSA-N 1 0 300.362 3.020 20 5 DGBDRO CCOc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897459668 619130216 /nfs/dbraw/zinc/13/02/16/619130216.db2.gz OCFHZPBMTICQPW-LBPRGKRZSA-N 1 0 304.346 3.480 20 5 DGBDRO C[C@H](CSCCF)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459693 619130230 /nfs/dbraw/zinc/13/02/30/619130230.db2.gz BUOKZMMXIKOCKX-NWDGAFQWSA-N 1 0 300.399 3.379 20 5 DGBDRO Cc1ncc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000897460752 619130302 /nfs/dbraw/zinc/13/03/02/619130302.db2.gz VWRALMXRZBMRAM-NWDGAFQWSA-N 1 0 314.389 3.456 20 5 DGBDRO Cc1c(F)nccc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460203 619130367 /nfs/dbraw/zinc/13/03/67/619130367.db2.gz FSFXWSIUHFMCPQ-LLVKDONJSA-N 1 0 303.337 3.331 20 5 DGBDRO Cc1nc2ccccn2c1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469552 619131658 /nfs/dbraw/zinc/13/16/58/619131658.db2.gz MLINWGICWPONGJ-CYBMUJFWSA-N 1 0 324.384 3.444 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000897470131 619131856 /nfs/dbraw/zinc/13/18/56/619131856.db2.gz YRXFOZRWXUYJLX-LBPRGKRZSA-N 1 0 315.329 3.396 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897504740 619140290 /nfs/dbraw/zinc/14/02/90/619140290.db2.gz YXEFBMVRBMQYGW-NUTKFTJISA-N 1 0 302.374 3.129 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cc1Cl ZINC000897507712 619140947 /nfs/dbraw/zinc/14/09/47/619140947.db2.gz FREMQIZNJXJDFP-SWLSCSKDSA-N 1 0 310.781 3.295 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CCCC3(CC3)C2)c([N+](=O)[O-])cc1OC ZINC000897772638 619178902 /nfs/dbraw/zinc/17/89/02/619178902.db2.gz AAGJFLQPDPKFRN-CYBMUJFWSA-N 1 0 320.389 3.424 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897955199 619198610 /nfs/dbraw/zinc/19/86/10/619198610.db2.gz QOOYTBOCPLCUDG-GUYJKWIASA-N 1 0 317.389 3.090 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CC(CCO)C1 ZINC000898010782 619202038 /nfs/dbraw/zinc/20/20/38/619202038.db2.gz LIFQRIVJIOWIIQ-VLVHBFOGSA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898169004 619220241 /nfs/dbraw/zinc/22/02/41/619220241.db2.gz WUZCXYIGZFABNH-UHFFFAOYSA-N 1 0 314.385 3.036 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@H](O)C3CC3)o2)cc1 ZINC000898205746 619221182 /nfs/dbraw/zinc/22/11/82/619221182.db2.gz HAFXBTLTKRUNLQ-MRXNPFEDSA-N 1 0 316.357 3.105 20 5 DGBDRO CCC[C@H](O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000927018804 619257099 /nfs/dbraw/zinc/25/70/99/619257099.db2.gz OSTBYWYMLCWSSC-HOTGVXAUSA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1ccc([C@H](C)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000902447583 619639553 /nfs/dbraw/zinc/63/95/53/619639553.db2.gz ZTJKNAZLCWSCQJ-BJOOFOGMSA-N 1 0 311.385 3.179 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000902766661 619673141 /nfs/dbraw/zinc/67/31/41/619673141.db2.gz PDXXISAXMSYQJC-ZTRDIVRJSA-N 1 0 302.374 3.059 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2C1 ZINC000902853237 619682976 /nfs/dbraw/zinc/68/29/76/619682976.db2.gz KVENTGIOBIWTEV-BBRMVZONSA-N 1 0 312.369 3.324 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000902895379 619689643 /nfs/dbraw/zinc/68/96/43/619689643.db2.gz YMUADXCUTSHKOM-CNAMQQPBSA-N 1 0 302.374 3.059 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000903001059 619703236 /nfs/dbraw/zinc/70/32/36/619703236.db2.gz PHJOIUDMWMYFOT-QVILVFIQSA-N 1 0 302.374 3.059 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCOC2CCCC2)cc([N+](=O)[O-])c1 ZINC000903083770 619712908 /nfs/dbraw/zinc/71/29/08/619712908.db2.gz NFPLZMLJYXDZOD-GFCCVEGCSA-N 1 0 308.378 3.213 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccsc2)cc([N+](=O)[O-])c1 ZINC000903100427 619716338 /nfs/dbraw/zinc/71/63/38/619716338.db2.gz RTNOKPBGYZHVSY-BMIGLBTASA-N 1 0 322.386 3.049 20 5 DGBDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903103505 619717193 /nfs/dbraw/zinc/71/71/93/619717193.db2.gz JAJBRYUDZSTMGW-CHWSQXEVSA-N 1 0 310.394 3.053 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc([N+](=O)[O-])c1 ZINC000903112296 619717900 /nfs/dbraw/zinc/71/79/00/619717900.db2.gz MVDAPDRVWGFWMX-IAOMBJDPSA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCNc2ccccc2)cc([N+](=O)[O-])c1 ZINC000903106350 619717961 /nfs/dbraw/zinc/71/79/61/619717961.db2.gz HOSCPOOOFBHLDA-CYBMUJFWSA-N 1 0 315.373 3.366 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903114021 619720517 /nfs/dbraw/zinc/72/05/17/619720517.db2.gz SDXCMZYSJXLLQP-AVGNSLFASA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)cc([N+](=O)[O-])c1 ZINC000903119653 619721211 /nfs/dbraw/zinc/72/12/11/619721211.db2.gz JTJYAARTYSZQEF-VXGBXAGGSA-N 1 0 310.394 3.051 20 5 DGBDRO Cc1c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cccc1[N+](=O)[O-] ZINC000903157187 619726652 /nfs/dbraw/zinc/72/66/52/619726652.db2.gz ADYZUCGZXRARDH-ZXFUBFMLSA-N 1 0 315.417 3.151 20 5 DGBDRO COc1cc([C@H](C)[NH2+]Cc2ccnc(C)c2)cc([N+](=O)[O-])c1 ZINC000903177383 619730575 /nfs/dbraw/zinc/73/05/75/619730575.db2.gz MDHBNGFOWOOMFL-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1[N+](=O)[O-] ZINC000903180724 619731383 /nfs/dbraw/zinc/73/13/83/619731383.db2.gz IMMDDGPZWJGAAE-OPQQBVKSSA-N 1 0 318.295 3.355 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C2CCC(OC)CC2)cc([N+](=O)[O-])c1 ZINC000903184796 619731988 /nfs/dbraw/zinc/73/19/88/619731988.db2.gz FFPUFCQIBDYRLR-NUYPLMSZSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903183280 619732198 /nfs/dbraw/zinc/73/21/98/619732198.db2.gz NMHZJGGAGVIHPR-STQMWFEESA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)COCC2CC2)cc([N+](=O)[O-])c1 ZINC000903193096 619733632 /nfs/dbraw/zinc/73/36/32/619733632.db2.gz CKFDZLBYJMATOE-NEPJUHHUSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)COCC2CC2)cc([N+](=O)[O-])c1 ZINC000903193099 619733654 /nfs/dbraw/zinc/73/36/54/619733654.db2.gz CKFDZLBYJMATOE-VXGBXAGGSA-N 1 0 308.378 3.069 20 5 DGBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903194726 619733965 /nfs/dbraw/zinc/73/39/65/619733965.db2.gz QGGIPCPUKDGTSO-MQIPJXDCSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)[C@H](OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903187751 619736953 /nfs/dbraw/zinc/73/69/53/619736953.db2.gz WODWDVWOYJIVHD-USBNGQNGSA-N 1 0 308.378 3.068 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C2(OC)CCC2)cc([N+](=O)[O-])c1 ZINC000903190035 619737225 /nfs/dbraw/zinc/73/72/25/619737225.db2.gz NPSKRKRIPBZZDK-RYUDHWBXSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCC[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903188344 619737356 /nfs/dbraw/zinc/73/73/56/619737356.db2.gz ZBCMEWQWUYLNLI-STQMWFEESA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@H]2CCSC2)cc([N+](=O)[O-])c1 ZINC000903209927 619739027 /nfs/dbraw/zinc/73/90/27/619739027.db2.gz QYKJKJGUFOXNFD-RYUDHWBXSA-N 1 0 310.419 3.397 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc([N+](=O)[O-])c1 ZINC000903216787 619740245 /nfs/dbraw/zinc/74/02/45/619740245.db2.gz IMPMQRDDBCOTJE-MWDDYTRKSA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)cc([N+](=O)[O-])c1 ZINC000903220106 619741138 /nfs/dbraw/zinc/74/11/38/619741138.db2.gz KJKCPVLFZOJWOJ-WFASDCNBSA-N 1 0 320.389 3.356 20 5 DGBDRO CCn1ccnc1[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246355 619742511 /nfs/dbraw/zinc/74/25/11/619742511.db2.gz TVPGVCLEUKKWHJ-STQMWFEESA-N 1 0 302.378 3.266 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000903245335 619743515 /nfs/dbraw/zinc/74/35/15/619743515.db2.gz KSMUFNVRXRYPJK-BBRMVZONSA-N 1 0 304.390 3.247 20 5 DGBDRO Cc1nccnc1[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245853 619743723 /nfs/dbraw/zinc/74/37/23/619743723.db2.gz PAKVEDQXKGRRFW-AAEUAGOBSA-N 1 0 300.362 3.148 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000903245337 619743735 /nfs/dbraw/zinc/74/37/35/619743735.db2.gz KSMUFNVRXRYPJK-CZUORRHYSA-N 1 0 304.390 3.247 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C2([C@H]3CCCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000903228173 619744093 /nfs/dbraw/zinc/74/40/93/619744093.db2.gz QEHRFQWFZRJEIG-MLGOLLRUSA-N 1 0 320.389 3.356 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000903252097 619744980 /nfs/dbraw/zinc/74/49/80/619744980.db2.gz LZBUESSWSROHET-XQAQDONZSA-N 1 0 322.380 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CC[C@H](C3CC3)O2)cc([N+](=O)[O-])c1 ZINC000903252538 619744991 /nfs/dbraw/zinc/74/49/91/619744991.db2.gz NDYPURXOIAPDQS-UXEPBGEESA-N 1 0 320.389 3.212 20 5 DGBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903252435 619745094 /nfs/dbraw/zinc/74/50/94/619745094.db2.gz CRZUHQUXJYZGHF-GQAVTEOGSA-N 1 0 315.417 3.198 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000903258577 619746525 /nfs/dbraw/zinc/74/65/25/619746525.db2.gz DSNYMLGYKBBLGS-ZQIUZPCESA-N 1 0 306.406 3.495 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C2CC3(C2)CO[C@H](C)C3)cc([N+](=O)[O-])c1 ZINC000903278897 619751425 /nfs/dbraw/zinc/75/14/25/619751425.db2.gz IEHOQXWMDBLZIE-OKJNYLHPSA-N 1 0 320.389 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CCO)C1CCCC1 ZINC000903297044 619752770 /nfs/dbraw/zinc/75/27/70/619752770.db2.gz OFMJJXZFKIKYIX-MLGOLLRUSA-N 1 0 324.396 3.196 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903286109 619754213 /nfs/dbraw/zinc/75/42/13/619754213.db2.gz BKMNPPLBFSBXGG-ZCICZYKUSA-N 1 0 320.414 3.143 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c2cc([N+](=O)[O-])ccc21 ZINC000903287953 619754529 /nfs/dbraw/zinc/75/45/29/619754529.db2.gz UFDJDOMSTBBTFW-GXFWZKBTSA-N 1 0 314.385 3.083 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C2CC(CCO)C2)c2cc([N+](=O)[O-])ccc21 ZINC000903329924 619762005 /nfs/dbraw/zinc/76/20/05/619762005.db2.gz OWLNMMORMSEBSI-PPUFBPAQSA-N 1 0 304.390 3.068 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(OC(C)C)CCOC2)cc1[N+](=O)[O-] ZINC000903359295 619764963 /nfs/dbraw/zinc/76/49/63/619764963.db2.gz BQZWOTKJZUHZCD-PBHICJAKSA-N 1 0 322.405 3.138 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000903389029 619770689 /nfs/dbraw/zinc/77/06/89/619770689.db2.gz OEUUCZWDCNMTPI-SMDDNHRTSA-N 1 0 308.353 3.486 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000903448416 619778564 /nfs/dbraw/zinc/77/85/64/619778564.db2.gz OYAIVYPKYBHOIG-GUTXKFCHSA-N 1 0 320.389 3.286 20 5 DGBDRO CSC1CCC(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000905509349 620003368 /nfs/dbraw/zinc/00/33/68/620003368.db2.gz QCNAIXPGPWRYFW-VDSRIPIWSA-N 1 0 324.446 3.140 20 5 DGBDRO Cc1cccc([C@H](O)C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000905643372 620016290 /nfs/dbraw/zinc/01/62/90/620016290.db2.gz LGNBGHFDUJJOTA-KBXCAEBGSA-N 1 0 314.385 3.330 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@H]2CCC(F)(F)C2)c1 ZINC000905674236 620017729 /nfs/dbraw/zinc/01/77/29/620017729.db2.gz GJTCGCYIZARDSU-BXUZGUMPSA-N 1 0 314.332 3.043 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CCCO)cc1[N+](=O)[O-] ZINC000924842679 620349141 /nfs/dbraw/zinc/34/91/41/620349141.db2.gz UKZBDCNGLOFWHA-LSDHHAIUSA-N 1 0 322.405 3.024 20 5 DGBDRO C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000921553968 620907518 /nfs/dbraw/zinc/90/75/18/620907518.db2.gz ZDWOMYGSSCTNER-LBPRGKRZSA-N 1 0 300.362 3.367 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccnn2C2CCC2)cc1[N+](=O)[O-] ZINC000922317326 621023282 /nfs/dbraw/zinc/02/32/82/621023282.db2.gz ZDUQSVOVGZACHK-UHFFFAOYSA-N 1 0 300.362 3.115 20 5 DGBDRO CC1CC(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000857063753 621052993 /nfs/dbraw/zinc/05/29/93/621052993.db2.gz PTNAWJNKPKZKOO-UHFFFAOYSA-N 1 0 303.406 3.199 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000922539870 621053373 /nfs/dbraw/zinc/05/33/73/621053373.db2.gz FRTINRTURBSVST-CYBMUJFWSA-N 1 0 314.389 3.442 20 5 DGBDRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C ZINC000922556905 621057361 /nfs/dbraw/zinc/05/73/61/621057361.db2.gz JYCIWMBWEGKEQQ-BLLLJJGKSA-N 1 0 315.373 3.037 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000922677172 621079682 /nfs/dbraw/zinc/07/96/82/621079682.db2.gz FHLUTFZZFKEMNH-CHWSQXEVSA-N 1 0 318.295 3.184 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000922698108 621084240 /nfs/dbraw/zinc/08/42/40/621084240.db2.gz YBHVYXIORYSKNR-IAGOWNOFSA-N 1 0 304.390 3.260 20 5 DGBDRO CC1([NH+]2CCC2)CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000922848553 621108488 /nfs/dbraw/zinc/10/84/88/621108488.db2.gz WMFGLSZIKXUUIB-UHFFFAOYSA-N 1 0 309.435 3.153 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000922892049 621119547 /nfs/dbraw/zinc/11/95/47/621119547.db2.gz MPLZGCJOOOJHFU-DOTOQJQBSA-N 1 0 304.390 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2OCCc3ccccc32)cc1 ZINC000922960783 621139340 /nfs/dbraw/zinc/13/93/40/621139340.db2.gz AAIIHKUVSWPOQA-SFHVURJKSA-N 1 0 312.369 3.389 20 5 DGBDRO CCC(F)(F)C(C)(C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000858128229 621155669 /nfs/dbraw/zinc/15/56/69/621155669.db2.gz FSEAVNFUXAOIBE-CYBMUJFWSA-N 1 0 316.348 3.289 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000858285198 621171366 /nfs/dbraw/zinc/17/13/66/621171366.db2.gz JBVOYILAENWOSE-HNNXBMFYSA-N 1 0 323.824 3.355 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000858437203 621190824 /nfs/dbraw/zinc/19/08/24/621190824.db2.gz WROCRLBXNQTYMS-KBPBESRZSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)ccc1Cl ZINC000839140106 621340425 /nfs/dbraw/zinc/34/04/25/621340425.db2.gz NTFDBFMQDVXKPF-CQSZACIVSA-N 1 0 310.781 3.128 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000839199301 621350274 /nfs/dbraw/zinc/35/02/74/621350274.db2.gz JBNMPURSQAVNLD-DOTOQJQBSA-N 1 0 322.380 3.107 20 5 DGBDRO C/C=C\C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860183108 621378322 /nfs/dbraw/zinc/37/83/22/621378322.db2.gz GHIRGEAQJGUFEA-FNGHRWMPSA-N 1 0 304.390 3.306 20 5 DGBDRO Cc1ccc(N2CCC(C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000754052265 621482998 /nfs/dbraw/zinc/48/29/98/621482998.db2.gz GSKDQRVIMJJDNL-UHFFFAOYSA-N 1 0 305.422 3.460 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000756903083 621671932 /nfs/dbraw/zinc/67/19/32/621671932.db2.gz ZIISGRHOSMQKKK-IAQYHMDHSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC(C2CCC2)C2CCC2)c1 ZINC000863563132 621684150 /nfs/dbraw/zinc/68/41/50/621684150.db2.gz NFRDFOVJBRPLRS-GOSISDBHSA-N 1 0 318.417 3.434 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1 ZINC000758557176 621788933 /nfs/dbraw/zinc/78/89/33/621788933.db2.gz AIUOIDWSIGCOBC-GFCCVEGCSA-N 1 0 318.760 3.211 20 5 DGBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865448047 621923546 /nfs/dbraw/zinc/92/35/46/621923546.db2.gz YXVCDPLUOXEQGI-UHFFFAOYSA-N 1 0 313.348 3.310 20 5 DGBDRO CCOC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000789589420 625530906 /nfs/dbraw/zinc/53/09/06/625530906.db2.gz PSLDRFFEPGQCNT-CYBMUJFWSA-N 1 0 300.786 3.399 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCOC3)CC2)ccc1Cl ZINC000761060289 621983214 /nfs/dbraw/zinc/98/32/14/621983214.db2.gz SOYLTSXSAVQANU-UHFFFAOYSA-N 1 0 310.781 3.251 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CCSCCC(F)(F)F)cs1 ZINC000865788697 621995881 /nfs/dbraw/zinc/99/58/81/621995881.db2.gz XLNXSAHUDNHYPK-UHFFFAOYSA-N 1 0 314.354 3.432 20 5 DGBDRO Cc1nn(C[N@H+]2CCC[C@@H](C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761289194 621999369 /nfs/dbraw/zinc/99/93/69/621999369.db2.gz DEZDKZHEWZBYGW-GFCCVEGCSA-N 1 0 302.378 3.332 20 5 DGBDRO CC[C@H]1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761287815 621999688 /nfs/dbraw/zinc/99/96/88/621999688.db2.gz HFMBQSHYMLIKTK-ZDUSSCGKSA-N 1 0 302.378 3.332 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000761516154 622014145 /nfs/dbraw/zinc/01/41/45/622014145.db2.gz ZBOJYWVEZLAQPE-UONOGXRCSA-N 1 0 324.808 3.497 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccc(O)cc1 ZINC000866241800 622074245 /nfs/dbraw/zinc/07/42/45/622074245.db2.gz GEAKHVKWNNACOM-GFCCVEGCSA-N 1 0 318.348 3.203 20 5 DGBDRO CC(C)n1ccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866268921 622080640 /nfs/dbraw/zinc/08/06/40/622080640.db2.gz KZKRTQVKFAWYBT-GFCCVEGCSA-N 1 0 320.368 3.232 20 5 DGBDRO CSCC[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866269590 622081199 /nfs/dbraw/zinc/08/11/99/622081199.db2.gz JYXVBPPSCAYEMW-WDEREUQCSA-N 1 0 300.399 3.396 20 5 DGBDRO CCc1cnc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866274997 622083060 /nfs/dbraw/zinc/08/30/60/622083060.db2.gz WNRXHFRBPQIXJP-JTQLQIEISA-N 1 0 323.393 3.474 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000866284805 622084683 /nfs/dbraw/zinc/08/46/83/622084683.db2.gz BCXNCJRTYAHPMB-BNGXUDDSSA-N 1 0 322.380 3.212 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000762617866 622086922 /nfs/dbraw/zinc/08/69/22/622086922.db2.gz UVXPILAVJIVURK-RDBSUJKOSA-N 1 0 310.444 3.064 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(C)CCOCC1 ZINC000866305424 622089664 /nfs/dbraw/zinc/08/96/64/622089664.db2.gz QVWGLYHHVCBMCD-GFCCVEGCSA-N 1 0 310.369 3.071 20 5 DGBDRO Cc1ncc(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866307852 622090227 /nfs/dbraw/zinc/09/02/27/622090227.db2.gz LCOONDYTBLPHFE-JTQLQIEISA-N 1 0 323.393 3.262 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)CC(C)(C)C ZINC000866308127 622090245 /nfs/dbraw/zinc/09/02/45/622090245.db2.gz QNEAAZOHQOWABC-FZMZJTMJSA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC(F)(F)C1 ZINC000866323485 622093443 /nfs/dbraw/zinc/09/34/43/622093443.db2.gz IXKAVYFAPQJWKK-CABZTGNLSA-N 1 0 302.296 3.442 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000866337242 622096886 /nfs/dbraw/zinc/09/68/86/622096886.db2.gz VTTKRSMJYLALTH-RDBSUJKOSA-N 1 0 324.396 3.460 20 5 DGBDRO COCCC(C)(C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866339923 622097498 /nfs/dbraw/zinc/09/74/98/622097498.db2.gz OQPOWEPQAWLRHV-LBPRGKRZSA-N 1 0 312.385 3.317 20 5 DGBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866354389 622101429 /nfs/dbraw/zinc/10/14/29/622101429.db2.gz ZYUBMQRYULEXSU-PJODQICGSA-N 1 0 310.369 3.212 20 5 DGBDRO CCc1noc(C)c1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866365792 622103904 /nfs/dbraw/zinc/10/39/04/622103904.db2.gz XTDWQMAVRCTVCL-SNVBAGLBSA-N 1 0 321.352 3.314 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])nc1C ZINC000866370875 622105195 /nfs/dbraw/zinc/10/51/95/622105195.db2.gz BCMJOEWXMSKRFW-GFCCVEGCSA-N 1 0 317.364 3.467 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000866370295 622105315 /nfs/dbraw/zinc/10/53/15/622105315.db2.gz UNHAAQVTLDNLHQ-OLZOCXBDSA-N 1 0 324.396 3.460 20 5 DGBDRO COC1([C@@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866374551 622106267 /nfs/dbraw/zinc/10/62/67/622106267.db2.gz JXPRBPGGMLTWSG-NWDGAFQWSA-N 1 0 310.369 3.212 20 5 DGBDRO COC1([C@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866374553 622106322 /nfs/dbraw/zinc/10/63/22/622106322.db2.gz JXPRBPGGMLTWSG-RYUDHWBXSA-N 1 0 310.369 3.212 20 5 DGBDRO COC1CC(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866385923 622108033 /nfs/dbraw/zinc/10/80/33/622108033.db2.gz SRQGHQVJPCORFE-BZUNDVKYSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000866385731 622108041 /nfs/dbraw/zinc/10/80/41/622108041.db2.gz PXQCPOGKYDACFH-DOMZBBRYSA-N 1 0 323.412 3.127 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1cscn1 ZINC000866388908 622108819 /nfs/dbraw/zinc/10/88/19/622108819.db2.gz NYFRTLRKGAPWBF-VHSXEESVSA-N 1 0 309.366 3.472 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)cccc1[N+](=O)[O-] ZINC000866426052 622116354 /nfs/dbraw/zinc/11/63/54/622116354.db2.gz RBOBAQZGTGQYRG-GXTWGEPZSA-N 1 0 322.405 3.343 20 5 DGBDRO CS[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000866487244 622126311 /nfs/dbraw/zinc/12/63/11/622126311.db2.gz WJHDCNOEWALPKE-SAZUREKKSA-N 1 0 321.446 3.047 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000866510826 622129797 /nfs/dbraw/zinc/12/97/97/622129797.db2.gz QFTDFKDJVBCKNH-NUTKFTJISA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000866527410 622131851 /nfs/dbraw/zinc/13/18/51/622131851.db2.gz IEBYXUAAOBQNTH-HIFRSBDPSA-N 1 0 304.390 3.452 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000866538091 622134577 /nfs/dbraw/zinc/13/45/77/622134577.db2.gz SZOVSQUIISDRMV-PVUWLOKVSA-N 1 0 304.390 3.308 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000866540368 622134892 /nfs/dbraw/zinc/13/48/92/622134892.db2.gz MVSVSMWJMSEYLW-ZDUSSCGKSA-N 1 0 315.373 3.028 20 5 DGBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000866540209 622135185 /nfs/dbraw/zinc/13/51/85/622135185.db2.gz KZWPENPLWKNFCV-PLAPLOCASA-N 1 0 304.390 3.196 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccnn1C ZINC000866612120 622146588 /nfs/dbraw/zinc/14/65/88/622146588.db2.gz CLJHCFVIJSPBNP-CHWSQXEVSA-N 1 0 302.378 3.000 20 5 DGBDRO CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000867989705 622201605 /nfs/dbraw/zinc/20/16/05/622201605.db2.gz OILVYUYHLXIITN-ZDUSSCGKSA-N 1 0 317.370 3.095 20 5 DGBDRO Cc1nn(C[N@H+]2CCCCC[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765017017 622240137 /nfs/dbraw/zinc/24/01/37/622240137.db2.gz XKUSTLZJRSMJRV-GFCCVEGCSA-N 1 0 302.378 3.475 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000765253080 622253708 /nfs/dbraw/zinc/25/37/08/622253708.db2.gz KXKFHSPRKJUYNE-UKRRQHHQSA-N 1 0 305.422 3.428 20 5 DGBDRO CCC1(CC)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000766990118 622366854 /nfs/dbraw/zinc/36/68/54/622366854.db2.gz GOEKCRHJVKERIX-HNNXBMFYSA-N 1 0 324.446 3.236 20 5 DGBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000769914170 622576152 /nfs/dbraw/zinc/57/61/52/622576152.db2.gz VVRUYPBDTCMXAG-HNNXBMFYSA-N 1 0 312.797 3.375 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCn1ccnc1 ZINC000872016025 622752536 /nfs/dbraw/zinc/75/25/36/622752536.db2.gz BSQJPVZPSOONFN-LBPRGKRZSA-N 1 0 320.418 3.254 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)Cn1ccnc1 ZINC000872021160 622756555 /nfs/dbraw/zinc/75/65/55/622756555.db2.gz NQOUHHSPEGVRIR-RYUDHWBXSA-N 1 0 320.418 3.253 20 5 DGBDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872025636 622758888 /nfs/dbraw/zinc/75/88/88/622758888.db2.gz QLKCERMXQIBONR-NSHDSACASA-N 1 0 324.352 3.070 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)CC(C)C ZINC000872029814 622761610 /nfs/dbraw/zinc/76/16/10/622761610.db2.gz TWNOJXSRPMINRX-WCQYABFASA-N 1 0 312.435 3.374 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031320 622763104 /nfs/dbraw/zinc/76/31/04/622763104.db2.gz IWPBXCKEWFUFNJ-IAQYHMDHSA-N 1 0 310.369 3.326 20 5 DGBDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038964 622767404 /nfs/dbraw/zinc/76/74/04/622767404.db2.gz QARVJTRWGANXKD-BMIGLBTASA-N 1 0 324.377 3.354 20 5 DGBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000872038617 622767650 /nfs/dbraw/zinc/76/76/50/622767650.db2.gz NJTSFFUXRBNTEA-HOCLYGCPSA-N 1 0 306.406 3.321 20 5 DGBDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872042028 622769490 /nfs/dbraw/zinc/76/94/90/622769490.db2.gz MGEVHAXENNCVJW-NEPJUHHUSA-N 1 0 312.435 3.376 20 5 DGBDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])[nH]n1 ZINC000872049961 622775327 /nfs/dbraw/zinc/77/53/27/622775327.db2.gz XNVGYKKPOGMAMT-MWLCHTKSSA-N 1 0 306.341 3.047 20 5 DGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(O)c1F ZINC000872050785 622776721 /nfs/dbraw/zinc/77/67/21/622776721.db2.gz FOHRYUPMUOBGHU-NSHDSACASA-N 1 0 304.321 3.333 20 5 DGBDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872052322 622777238 /nfs/dbraw/zinc/77/72/38/622777238.db2.gz CFMILIICNHOAFJ-IAQYHMDHSA-N 1 0 310.369 3.182 20 5 DGBDRO Cc1cccc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872065973 622786694 /nfs/dbraw/zinc/78/66/94/622786694.db2.gz DGLAMGPNVWVMGB-GFCCVEGCSA-N 1 0 303.337 3.331 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)C(C)C ZINC000872071815 622789234 /nfs/dbraw/zinc/78/92/34/622789234.db2.gz YAKYNBJTHISEKF-NEPJUHHUSA-N 1 0 312.435 3.232 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C)C[NH+](C)C ZINC000872073124 622790325 /nfs/dbraw/zinc/79/03/25/622790325.db2.gz NCKCXTVHZVXVMK-VXGBXAGGSA-N 1 0 311.451 3.165 20 5 DGBDRO C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872084085 622796355 /nfs/dbraw/zinc/79/63/55/622796355.db2.gz PAPAYHOVVOIMRZ-VXGBXAGGSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@H](N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872085622 622796469 /nfs/dbraw/zinc/79/64/69/622796469.db2.gz QCUKDLURFHHHPR-AEGPPILISA-N 1 0 321.396 3.401 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)CC1CC1 ZINC000872085845 622797268 /nfs/dbraw/zinc/79/72/68/622797268.db2.gz QARNULVECGJGHD-WCQYABFASA-N 1 0 324.446 3.376 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000872105251 622807319 /nfs/dbraw/zinc/80/73/19/622807319.db2.gz FEJXVGOEPFIIGZ-AAEUAGOBSA-N 1 0 308.378 3.069 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000872105109 622807504 /nfs/dbraw/zinc/80/75/04/622807504.db2.gz AQPFDFHBIBHLKI-RISCZKNCSA-N 1 0 310.369 3.070 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872108214 622810407 /nfs/dbraw/zinc/81/04/07/622810407.db2.gz RWUPRDRSGNYWSH-CQJJVWNLSA-N 1 0 320.389 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872108868 622810612 /nfs/dbraw/zinc/81/06/12/622810612.db2.gz YQJRPTUKJJJHMO-VXAPYIKBSA-N 1 0 322.380 3.212 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000872129591 622823679 /nfs/dbraw/zinc/82/36/79/622823679.db2.gz QQFYXPSZWBGSEX-GUIRCDHDSA-N 1 0 320.389 3.223 20 5 DGBDRO Cc1csc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000873012759 623016811 /nfs/dbraw/zinc/01/68/11/623016811.db2.gz NFCGYTIJJKHYFT-UHFFFAOYSA-N 1 0 305.403 3.309 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000873008834 623017138 /nfs/dbraw/zinc/01/71/38/623017138.db2.gz QAPPFDHTWZIBBJ-QGZVFWFLSA-N 1 0 318.348 3.174 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(CCO)CCCC1 ZINC000873065872 623029699 /nfs/dbraw/zinc/02/96/99/623029699.db2.gz KWWZASOZSDKWTM-UHFFFAOYSA-N 1 0 306.406 3.244 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000873069347 623030380 /nfs/dbraw/zinc/03/03/80/623030380.db2.gz DBCUOJYGYBFKLD-PXAZEXFGSA-N 1 0 318.348 3.254 20 5 DGBDRO Cc1c(C[NH2+]CC2(CCO)CCCCC2)cccc1[N+](=O)[O-] ZINC000873074909 623031260 /nfs/dbraw/zinc/03/12/60/623031260.db2.gz QSPVBFIUXGWEPD-UHFFFAOYSA-N 1 0 306.406 3.326 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)C[C@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000873097892 623036280 /nfs/dbraw/zinc/03/62/80/623036280.db2.gz YJETVUZIANIHDF-ABAIWWIYSA-N 1 0 304.346 3.098 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCc3cc(O)ccc3C2)cccc1[N+](=O)[O-] ZINC000873115578 623039609 /nfs/dbraw/zinc/03/96/09/623039609.db2.gz QFYOVNPKPVVORH-INIZCTEOSA-N 1 0 312.369 3.256 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873132734 623043670 /nfs/dbraw/zinc/04/36/70/623043670.db2.gz DOCOXELNXHYKPJ-KDOFPFPSSA-N 1 0 314.385 3.289 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873156321 623054807 /nfs/dbraw/zinc/05/48/07/623054807.db2.gz UPFYKILCDJHBOF-KEYYUXOJSA-N 1 0 304.390 3.259 20 5 DGBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000873194768 623069450 /nfs/dbraw/zinc/06/94/50/623069450.db2.gz VRCWOEGBVGZXSH-UKRRQHHQSA-N 1 0 306.387 3.258 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](O)c1ccccc1 ZINC000873193605 623069762 /nfs/dbraw/zinc/06/97/62/623069762.db2.gz MNKYKQHIGWMTIT-IRXDYDNUSA-N 1 0 318.348 3.336 20 5 DGBDRO C[C@H](OC(=O)c1ccc2c[nH+]cn2c1)c1cccc([N+](=O)[O-])c1 ZINC000790240532 625620859 /nfs/dbraw/zinc/62/08/59/625620859.db2.gz AEFKOLYEISNVIQ-NSHDSACASA-N 1 0 311.297 3.161 20 5 DGBDRO C[C@@H](NC(=O)CCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000775601192 623296114 /nfs/dbraw/zinc/29/61/14/623296114.db2.gz RPHJSOOPCVBCMX-CQSZACIVSA-N 1 0 319.405 3.038 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000776174343 623390742 /nfs/dbraw/zinc/39/07/42/623390742.db2.gz JLRSSXZTFPUOMS-ZDUSSCGKSA-N 1 0 316.357 3.161 20 5 DGBDRO C[C@H]1c2ccsc2CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275176 623404831 /nfs/dbraw/zinc/40/48/31/623404831.db2.gz JMHVKWAELABVMX-XHDPSFHLSA-N 1 0 318.398 3.309 20 5 DGBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274401 623405182 /nfs/dbraw/zinc/40/51/82/623405182.db2.gz HJCLVGVBSYAAOL-SJKOYZFVSA-N 1 0 318.348 3.460 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](Cc2ccccc2)C2CC2)cc1 ZINC000776279892 623406689 /nfs/dbraw/zinc/40/66/89/623406689.db2.gz YOCIXKTWQPBVBC-SFHVURJKSA-N 1 0 312.369 3.293 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000776584667 623444193 /nfs/dbraw/zinc/44/41/93/623444193.db2.gz OFGXZJWLHWEJBL-ZWKOTPCHSA-N 1 0 316.401 3.451 20 5 DGBDRO CCSCC[C@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590069 623444362 /nfs/dbraw/zinc/44/43/62/623444362.db2.gz BAYKZRFVNGSTEF-WFASDCNBSA-N 1 0 312.435 3.092 20 5 DGBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000776591241 623444993 /nfs/dbraw/zinc/44/49/93/623444993.db2.gz HZCDDFHBMDEETR-JEBQAFNWSA-N 1 0 312.369 3.321 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)C1(C)CC1 ZINC000776881886 623473251 /nfs/dbraw/zinc/47/32/51/623473251.db2.gz ABQYJEYXSJRXFC-VXGBXAGGSA-N 1 0 305.378 3.090 20 5 DGBDRO CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000777013343 623485311 /nfs/dbraw/zinc/48/53/11/623485311.db2.gz USQVBISIKBBMTB-BXKDBHETSA-N 1 0 306.284 3.131 20 5 DGBDRO C[C@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC[C@@H]1C ZINC000777958565 623590885 /nfs/dbraw/zinc/59/08/85/623590885.db2.gz RHWWVMHJMDIKPN-KBPBESRZSA-N 1 0 314.389 3.394 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C(C)(C)N1CCCC1 ZINC000805613708 623692471 /nfs/dbraw/zinc/69/24/71/623692471.db2.gz UOVRUKOUBHOZLW-CYBMUJFWSA-N 1 0 320.389 3.382 20 5 DGBDRO CCOC[C@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876738325 623693153 /nfs/dbraw/zinc/69/31/53/623693153.db2.gz AXYPTSCQLVNPAF-HNNXBMFYSA-N 1 0 306.406 3.460 20 5 DGBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1 ZINC000876889427 623737059 /nfs/dbraw/zinc/73/70/59/623737059.db2.gz MZMZVJJJAMICFL-GWMXKSKGSA-N 1 0 320.780 3.499 20 5 DGBDRO Cc1cccc2c1CC[C@@H]2[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877015326 623766579 /nfs/dbraw/zinc/76/65/79/623766579.db2.gz LVYVMFZXJWBSHB-FVKWTLKZSA-N 1 0 312.373 3.080 20 5 DGBDRO C[C@H]1CCC[C@@H](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877029505 623770033 /nfs/dbraw/zinc/77/00/33/623770033.db2.gz FNLQGPRDHCJRKZ-HESLUPGFSA-N 1 0 306.410 3.301 20 5 DGBDRO CC(C)c1cccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877412184 623874264 /nfs/dbraw/zinc/87/42/64/623874264.db2.gz VQVDMLQGMBVKMF-UHFFFAOYSA-N 1 0 314.389 3.408 20 5 DGBDRO CC[C@]1(CO)CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877438256 623882021 /nfs/dbraw/zinc/88/20/21/623882021.db2.gz MKZJCLOWSKESBU-KRWDZBQOSA-N 1 0 306.406 3.196 20 5 DGBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877462225 623894760 /nfs/dbraw/zinc/89/47/60/623894760.db2.gz NACBUCUYDXYQDI-CBINBANVSA-N 1 0 320.315 3.061 20 5 DGBDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000877519643 623920775 /nfs/dbraw/zinc/92/07/75/623920775.db2.gz YXZNPVAYNBCACB-KBXCAEBGSA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1c(C[NH2+]CC[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000877527489 623924989 /nfs/dbraw/zinc/92/49/89/623924989.db2.gz OTTNZAXRSBNTJX-KRWDZBQOSA-N 1 0 300.358 3.117 20 5 DGBDRO CC(C)[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000780497546 623939201 /nfs/dbraw/zinc/93/92/01/623939201.db2.gz LJJYASQVMJHNEF-CYBMUJFWSA-N 1 0 302.378 3.270 20 5 DGBDRO C[C@H]1CC(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@H](C)C1 ZINC000877625420 623967783 /nfs/dbraw/zinc/96/77/83/623967783.db2.gz YKSUCXJTIVDXIX-HGWMRPEMSA-N 1 0 306.410 3.157 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCCC3CC3)CC2)cn1 ZINC000877730220 624006870 /nfs/dbraw/zinc/00/68/70/624006870.db2.gz QPSFXGLQTCJWAZ-UHFFFAOYSA-N 1 0 318.421 3.129 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)ccc1Cl ZINC000877737350 624011234 /nfs/dbraw/zinc/01/12/34/624011234.db2.gz FWDCFZSBLWSFMO-NEPJUHHUSA-N 1 0 312.822 3.433 20 5 DGBDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877778034 624033593 /nfs/dbraw/zinc/03/35/93/624033593.db2.gz IMTSYLQZTUKRSF-CABZTGNLSA-N 1 0 320.311 3.253 20 5 DGBDRO CC(C)(O)[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877796273 624037642 /nfs/dbraw/zinc/03/76/42/624037642.db2.gz BRVAQCTWFXKREX-KKTNHOPESA-N 1 0 304.390 3.091 20 5 DGBDRO CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000877928332 624096308 /nfs/dbraw/zinc/09/63/08/624096308.db2.gz RWJRASWOYYRZOS-LBPRGKRZSA-N 1 0 316.361 3.267 20 5 DGBDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000781585562 624097734 /nfs/dbraw/zinc/09/77/34/624097734.db2.gz NYZHZHZGGHFRDZ-CXAGYDPISA-N 1 0 314.389 3.414 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000877934259 624099208 /nfs/dbraw/zinc/09/92/08/624099208.db2.gz GOOWWYUBJVNCHN-TXEJJXNPSA-N 1 0 316.361 3.123 20 5 DGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878088349 624162982 /nfs/dbraw/zinc/16/29/82/624162982.db2.gz MTQOBHDEGXEEPA-TXEJJXNPSA-N 1 0 316.361 3.408 20 5 DGBDRO CC(C)[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC000878254895 624227925 /nfs/dbraw/zinc/22/79/25/624227925.db2.gz JBGCWIXBWMFMBI-UHFFFAOYSA-N 1 0 316.361 3.408 20 5 DGBDRO C[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCC[C@@H]21 ZINC000782278955 624231919 /nfs/dbraw/zinc/23/19/19/624231919.db2.gz ZVMASMKAWKWJTL-DAXOMENPSA-N 1 0 314.389 3.413 20 5 DGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878366651 624258351 /nfs/dbraw/zinc/25/83/51/624258351.db2.gz VEWISHSTTIDNFC-QWRGUYRKSA-N 1 0 304.350 3.169 20 5 DGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878366650 624258445 /nfs/dbraw/zinc/25/84/45/624258445.db2.gz VEWISHSTTIDNFC-MNOVXSKESA-N 1 0 304.350 3.169 20 5 DGBDRO CC(C)C([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000878378687 624262192 /nfs/dbraw/zinc/26/21/92/624262192.db2.gz QAPRYAMXSGXTKN-UHFFFAOYSA-N 1 0 318.377 3.415 20 5 DGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878453330 624281642 /nfs/dbraw/zinc/28/16/42/624281642.db2.gz RTPKSECIVOQMCB-AAEUAGOBSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1nn(C[N@H+]2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000782957621 624294763 /nfs/dbraw/zinc/29/47/63/624294763.db2.gz XTXCBCUAXWLJEN-BBRMVZONSA-N 1 0 314.389 3.244 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC=C(Cl)C1 ZINC000878791672 624360907 /nfs/dbraw/zinc/36/09/07/624360907.db2.gz DLFYNZSRIARZMK-UHFFFAOYSA-N 1 0 323.780 3.060 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000783572567 624368361 /nfs/dbraw/zinc/36/83/61/624368361.db2.gz KAZOKKYQQHIEMU-OLZOCXBDSA-N 1 0 310.781 3.107 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)N1CCCCC1 ZINC000783599016 624373277 /nfs/dbraw/zinc/37/32/77/624373277.db2.gz RUKLZZYWUOAFBC-LBPRGKRZSA-N 1 0 311.813 3.212 20 5 DGBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000790934576 625717975 /nfs/dbraw/zinc/71/79/75/625717975.db2.gz NBFSWPLNJYQZBP-AAEUAGOBSA-N 1 0 312.797 3.374 20 5 DGBDRO Cc1nn(C[N@H+](C)C[C@@H]2CC=CCC2)c2cc([N+](=O)[O-])ccc12 ZINC000784014682 624421445 /nfs/dbraw/zinc/42/14/45/624421445.db2.gz NJMYWWKPJAGQBR-CQSZACIVSA-N 1 0 314.389 3.499 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000879417667 624539388 /nfs/dbraw/zinc/53/93/88/624539388.db2.gz FQNCFEMZUVICIL-UXLLHSPISA-N 1 0 304.390 3.029 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879560652 624589707 /nfs/dbraw/zinc/58/97/07/624589707.db2.gz VJAPHKSXGUFCTD-NEPJUHHUSA-N 1 0 312.822 3.433 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879733429 624657598 /nfs/dbraw/zinc/65/75/98/624657598.db2.gz VNARDBXTTKZLIE-OAHLLOKOSA-N 1 0 308.353 3.315 20 5 DGBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000785540509 624683201 /nfs/dbraw/zinc/68/32/01/624683201.db2.gz KSYFSXXRHOCKMB-UHIISALHSA-N 1 0 312.797 3.230 20 5 DGBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785541725 624684393 /nfs/dbraw/zinc/68/43/93/624684393.db2.gz VXNSKOFDVAMCBF-JRPNMDOOSA-N 1 0 312.797 3.230 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000785613474 624700978 /nfs/dbraw/zinc/70/09/78/624700978.db2.gz BXJQFQRXTZASMF-HNNXBMFYSA-N 1 0 324.739 3.211 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000785613475 624701036 /nfs/dbraw/zinc/70/10/36/624701036.db2.gz BXJQFQRXTZASMF-OAHLLOKOSA-N 1 0 324.739 3.211 20 5 DGBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000879962020 624737330 /nfs/dbraw/zinc/73/73/30/624737330.db2.gz LIWCTCPROKBIJL-GFCCVEGCSA-N 1 0 312.797 3.231 20 5 DGBDRO COC(=O)CC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880038850 624762903 /nfs/dbraw/zinc/76/29/03/624762903.db2.gz BALWUWGXQCTUBC-ZIAGYGMSSA-N 1 0 320.389 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CF)C3)co2)cc1 ZINC000880237658 624861808 /nfs/dbraw/zinc/86/18/08/624861808.db2.gz ZIWHTYCAERVWMU-LBPRGKRZSA-N 1 0 319.336 3.431 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000786803128 624954847 /nfs/dbraw/zinc/95/48/47/624954847.db2.gz DXXORZCOMXADIE-CHWSQXEVSA-N 1 0 305.378 3.082 20 5 DGBDRO CO[C@@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000786810866 624955420 /nfs/dbraw/zinc/95/54/20/624955420.db2.gz BLRFOARIOTWQDZ-HKBVPSITSA-N 1 0 318.295 3.165 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000786831358 624957318 /nfs/dbraw/zinc/95/73/18/624957318.db2.gz HZRYZBNCTNZDNZ-MRXNPFEDSA-N 1 0 312.369 3.121 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H](CC)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000880471764 624963623 /nfs/dbraw/zinc/96/36/23/624963623.db2.gz VIISEBDOXYKFEP-CABCVRRESA-N 1 0 322.405 3.288 20 5 DGBDRO CCOc1cc(C[NH2+][C@H](CC)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000880471766 624963686 /nfs/dbraw/zinc/96/36/86/624963686.db2.gz VIISEBDOXYKFEP-HUUCEWRRSA-N 1 0 322.405 3.288 20 5 DGBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787305560 624999426 /nfs/dbraw/zinc/99/94/26/624999426.db2.gz IRMJIVWWUUDWFI-HRCADAONSA-N 1 0 324.446 3.282 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000788541350 625212849 /nfs/dbraw/zinc/21/28/49/625212849.db2.gz VVXSCAKDGZRFKG-ZWKOTPCHSA-N 1 0 314.385 3.443 20 5 DGBDRO C[C@H](NCC[C@H](C)[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788739708 625255500 /nfs/dbraw/zinc/25/55/00/625255500.db2.gz NUEVGCVJZKUMRS-KBPBESRZSA-N 1 0 320.437 3.092 20 5 DGBDRO CC(=O)c1c(NCCCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000882435843 625719576 /nfs/dbraw/zinc/71/95/76/625719576.db2.gz MMKWCJKNHNIXOQ-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO CC(C)c1c[nH]c(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000883083993 625921088 /nfs/dbraw/zinc/92/10/88/625921088.db2.gz DGLGVHDMJKAIIZ-UHFFFAOYSA-N 1 0 322.796 3.427 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCC23OCCO3)cc1[N+](=O)[O-] ZINC000883179650 625956278 /nfs/dbraw/zinc/95/62/78/625956278.db2.gz FBRWYIGVEIZMLT-INIZCTEOSA-N 1 0 320.389 3.103 20 5 DGBDRO CCCN(CC[NH+]1CCCC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796382295 626045187 /nfs/dbraw/zinc/04/51/87/626045187.db2.gz XUFNHFRZQWLZTG-UHFFFAOYSA-N 1 0 309.385 3.042 20 5 DGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796428066 626048886 /nfs/dbraw/zinc/04/88/86/626048886.db2.gz HFHFRCUGGXGZRM-SWLSCSKDSA-N 1 0 323.824 3.307 20 5 DGBDRO C[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCC[C@@H]21 ZINC000796840407 626088565 /nfs/dbraw/zinc/08/85/65/626088565.db2.gz WWENWQIQBNJRRV-KBMXLJTQSA-N 1 0 323.824 3.211 20 5 DGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801519394 626407299 /nfs/dbraw/zinc/40/72/99/626407299.db2.gz NDTYGDYVWNHLSV-GXTWGEPZSA-N 1 0 309.385 3.039 20 5 DGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801519395 626407370 /nfs/dbraw/zinc/40/73/70/626407370.db2.gz NDTYGDYVWNHLSV-JSGCOSHPSA-N 1 0 309.385 3.039 20 5 DGBDRO Cc1ccccc1[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801600981 626411627 /nfs/dbraw/zinc/41/16/27/626411627.db2.gz XLQICCAHNHJLST-SFHVURJKSA-N 1 0 314.385 3.111 20 5 DGBDRO Cc1ccc(OCC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000801601262 626412125 /nfs/dbraw/zinc/41/21/25/626412125.db2.gz DEUSOQYXHXNOJG-UHFFFAOYSA-N 1 0 314.385 3.457 20 5 DGBDRO CC(C)(C)SCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000801933333 626426760 /nfs/dbraw/zinc/42/67/60/626426760.db2.gz OGGYWUXRRMRJQU-LBPRGKRZSA-N 1 0 324.450 3.008 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)OCCC[NH+]2CCCCC2)c1F ZINC000803461760 626616576 /nfs/dbraw/zinc/61/65/76/626616576.db2.gz FTDAJOBFDWHEHK-UHFFFAOYSA-N 1 0 324.352 3.075 20 5 DGBDRO CC(C)[NH+](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(C)C ZINC000804321834 626668968 /nfs/dbraw/zinc/66/89/68/626668968.db2.gz JLUZXFUHDXBQPD-UHFFFAOYSA-N 1 0 310.354 3.034 20 5 DGBDRO CC[C@H]([NH2+]C[C@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000132590982 626728326 /nfs/dbraw/zinc/72/83/26/626728326.db2.gz SHWZLEVOHFMEIM-KBPBESRZSA-N 1 0 312.460 3.484 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000807925230 626777832 /nfs/dbraw/zinc/77/78/32/626777832.db2.gz BREYCPWIGZAENZ-OLZOCXBDSA-N 1 0 319.405 3.330 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000808176244 626802739 /nfs/dbraw/zinc/80/27/39/626802739.db2.gz DSERMNILUQVKSQ-LBPRGKRZSA-N 1 0 307.394 3.330 20 5 DGBDRO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000840177358 626913660 /nfs/dbraw/zinc/91/36/60/626913660.db2.gz IQBJZTHBPGBKLK-INIZCTEOSA-N 1 0 312.373 3.019 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC(c3ccccc3)C2)cc1 ZINC000809733183 626942913 /nfs/dbraw/zinc/94/29/13/626942913.db2.gz QUODVNWOJSJKGH-LEOMRAHMSA-N 1 0 312.369 3.164 20 5 DGBDRO [NH3+]CCN(Cc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000809734863 626943426 /nfs/dbraw/zinc/94/34/26/626943426.db2.gz MSZDMMYCDPZBSD-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO COC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000809973174 626964300 /nfs/dbraw/zinc/96/43/00/626964300.db2.gz KAJOLQJMAZSFCV-LBPRGKRZSA-N 1 0 319.188 3.416 20 5 DGBDRO Cc1ccc(OC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810641730 627030486 /nfs/dbraw/zinc/03/04/86/627030486.db2.gz HKDYZJLQHIAIKX-INIZCTEOSA-N 1 0 324.352 3.021 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](OC)CC2)cc1[N+](=O)[O-] ZINC000885951929 627067772 /nfs/dbraw/zinc/06/77/72/627067772.db2.gz RXIPOSZKIUERLY-KGLIPLIRSA-N 1 0 308.378 3.041 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000885963382 627071480 /nfs/dbraw/zinc/07/14/80/627071480.db2.gz MNROMQMXZMJKLE-INIZCTEOSA-N 1 0 315.348 3.336 20 5 DGBDRO CCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000886018558 627085380 /nfs/dbraw/zinc/08/53/80/627085380.db2.gz CFBQWSOSZSUNPD-KFWWJZLASA-N 1 0 319.405 3.015 20 5 DGBDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886075156 627099329 /nfs/dbraw/zinc/09/93/29/627099329.db2.gz CXOHFAAZHPXAQU-KBPBESRZSA-N 1 0 307.394 3.015 20 5 DGBDRO C[C@@H]([NH2+]CC1(C2(O)CCC2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000886974215 627217603 /nfs/dbraw/zinc/21/76/03/627217603.db2.gz RZHNXCYQUWGLAQ-CYBMUJFWSA-N 1 0 304.390 3.331 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@H]1CCOC1 ZINC000811490172 627280260 /nfs/dbraw/zinc/28/02/60/627280260.db2.gz NSVQXRFEYKBPCJ-SECBINFHSA-N 1 0 319.188 3.418 20 5 DGBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811489020 627280501 /nfs/dbraw/zinc/28/05/01/627280501.db2.gz UBOPNBWPMZJJNR-JGVFFNPUSA-N 1 0 307.177 3.151 20 5 DGBDRO CCC(C)(C)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173133 627461619 /nfs/dbraw/zinc/46/16/19/627461619.db2.gz XAVRVIKSXQPOKU-HNNXBMFYSA-N 1 0 320.389 3.149 20 5 DGBDRO CC(C)(C)CC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173578 627461762 /nfs/dbraw/zinc/46/17/62/627461762.db2.gz DUYCIDLCQJUCRH-HNNXBMFYSA-N 1 0 320.389 3.149 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000813630193 627504366 /nfs/dbraw/zinc/50/43/66/627504366.db2.gz IWBPYOPZCFYCRH-ZDUSSCGKSA-N 1 0 303.406 3.214 20 5 DGBDRO Cn1ncc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1Cl ZINC000815142068 627636938 /nfs/dbraw/zinc/63/69/38/627636938.db2.gz MWPSAFSLUQIUQK-UHFFFAOYSA-N 1 0 308.769 3.007 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553536 627684402 /nfs/dbraw/zinc/68/44/02/627684402.db2.gz CLCFMSYFQRVYJH-BLLLJJGKSA-N 1 0 311.385 3.385 20 5 DGBDRO C[C@H]([NH2+]CCO[C@@H]1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561433 627684960 /nfs/dbraw/zinc/68/49/60/627684960.db2.gz HDSYSYJPCAOIBJ-GDZNZVCISA-N 1 0 321.421 3.423 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCOC23CCCCC3)cc1[N+](=O)[O-] ZINC000924842021 627686198 /nfs/dbraw/zinc/68/61/98/627686198.db2.gz NGGDKZZKRWDKQC-INIZCTEOSA-N 1 0 320.389 3.185 20 5 DGBDRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596317 627689106 /nfs/dbraw/zinc/68/91/06/627689106.db2.gz QHJMCRSUEYTXTO-WBMJQRKESA-N 1 0 321.421 3.423 20 5 DGBDRO COCC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCCCC1 ZINC000815627861 627692797 /nfs/dbraw/zinc/69/27/97/627692797.db2.gz LTFCWFZGBASDPM-ZDUSSCGKSA-N 1 0 321.421 3.425 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000926492548 627903781 /nfs/dbraw/zinc/90/37/81/627903781.db2.gz FQBFXVBTSWWDJS-DRPJVOAASA-N 1 0 304.390 3.451 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000840342393 627911235 /nfs/dbraw/zinc/91/12/35/627911235.db2.gz YOIRAXFHKCCDCD-NSHDSACASA-N 1 0 320.418 3.348 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817589537 627927538 /nfs/dbraw/zinc/92/75/38/627927538.db2.gz ODIHFZPBFDJSOL-WCQYABFASA-N 1 0 321.446 3.361 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CCCO)cc1[N+](=O)[O-] ZINC000926797526 627956661 /nfs/dbraw/zinc/95/66/61/627956661.db2.gz TYZOBDNTQPDIFL-HZPDHXFCSA-N 1 0 306.406 3.324 20 5 DGBDRO [NH3+][C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000817907773 627958621 /nfs/dbraw/zinc/95/86/21/627958621.db2.gz VPTQYYSXCHWYBN-JKSUJKDBSA-N 1 0 317.776 3.483 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000926835714 627962068 /nfs/dbraw/zinc/96/20/68/627962068.db2.gz KHYIOSPHMZUKJH-KMFMINBZSA-N 1 0 303.406 3.262 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926942192 627986303 /nfs/dbraw/zinc/98/63/03/627986303.db2.gz NBXAMBMRMOOLJZ-AYDFFVQHSA-N 1 0 302.374 3.145 20 5 DGBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000927067038 628007115 /nfs/dbraw/zinc/00/71/15/628007115.db2.gz NNJWLLBMSVNDOQ-LRDDRELGSA-N 1 0 302.378 3.376 20 5 DGBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000818943152 628063868 /nfs/dbraw/zinc/06/38/68/628063868.db2.gz UZIJOYRDYSIMLL-CXAGYDPISA-N 1 0 300.358 3.022 20 5 DGBDRO Cc1cc(C)c(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000818952037 628066167 /nfs/dbraw/zinc/06/61/67/628066167.db2.gz WCZBNZJDKAFCFX-SFHVURJKSA-N 1 0 314.385 3.343 20 5 DGBDRO CCC(CC)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)SC ZINC000819119107 628095485 /nfs/dbraw/zinc/09/54/85/628095485.db2.gz PPTMXBVRLZUWNV-AWEZNQCLSA-N 1 0 312.435 3.140 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000819190336 628109477 /nfs/dbraw/zinc/10/94/77/628109477.db2.gz JAOJWVBEIHNAEL-INIZCTEOSA-N 1 0 320.776 3.114 20 5 DGBDRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819261586 628122942 /nfs/dbraw/zinc/12/29/42/628122942.db2.gz FGYKALPNGDDYEL-GWCFXTLKSA-N 1 0 320.311 3.339 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000819272447 628124753 /nfs/dbraw/zinc/12/47/53/628124753.db2.gz VZNISNOVVFHZLR-BBWFWOEESA-N 1 0 304.390 3.187 20 5 DGBDRO C[C@@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928247680 628132748 /nfs/dbraw/zinc/13/27/48/628132748.db2.gz YGFGSKQIXMVJAC-CQSZACIVSA-N 1 0 319.405 3.038 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000820670301 628284560 /nfs/dbraw/zinc/28/45/60/628284560.db2.gz MHZHASOONHCFNP-JTQLQIEISA-N 1 0 315.776 3.165 20 5 DGBDRO CCCN(CCC[NH+](C)C)C(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000822340579 628442185 /nfs/dbraw/zinc/44/21/85/628442185.db2.gz ZOIFHIFEMXZHIE-UHFFFAOYSA-N 1 0 321.421 3.016 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cc1Cl ZINC000824845370 628699617 /nfs/dbraw/zinc/69/96/17/628699617.db2.gz KHPDCYCJYHIKQH-BBRMVZONSA-N 1 0 324.808 3.135 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000825325387 628749830 /nfs/dbraw/zinc/74/98/30/628749830.db2.gz BVMUATLGLXAWJJ-UHFFFAOYSA-N 1 0 311.813 3.212 20 5 DGBDRO CCc1nc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)co1 ZINC000829183629 629138385 /nfs/dbraw/zinc/13/83/85/629138385.db2.gz HZRJYYNWCUYQMT-UHFFFAOYSA-N 1 0 312.329 3.036 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000829244660 629143975 /nfs/dbraw/zinc/14/39/75/629143975.db2.gz ZWLOIESOVQFSMX-NSHDSACASA-N 1 0 320.418 3.125 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000831321689 629361916 /nfs/dbraw/zinc/36/19/16/629361916.db2.gz QHKRZZNQSMOGCB-NWANDNLSSA-N 1 0 308.353 3.027 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]2CCCO[C@@H]21 ZINC000831328881 629363325 /nfs/dbraw/zinc/36/33/25/629363325.db2.gz QTUXIJAAQBXAFC-GLQYFDAESA-N 1 0 308.353 3.027 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000832505644 629491354 /nfs/dbraw/zinc/49/13/54/629491354.db2.gz MQCAKUONLJSNSI-OAHLLOKOSA-N 1 0 310.394 3.453 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1F ZINC000832510925 629491737 /nfs/dbraw/zinc/49/17/37/629491737.db2.gz IUABOVATESUXLA-OAHLLOKOSA-N 1 0 310.394 3.453 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C(C)C ZINC000834387278 629703079 /nfs/dbraw/zinc/70/30/79/629703079.db2.gz FEBWZOCZSIQSKE-YESZJQIVSA-N 1 0 306.406 3.241 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C(C)C ZINC000834387276 629703138 /nfs/dbraw/zinc/70/31/38/629703138.db2.gz FEBWZOCZSIQSKE-GVDBMIGSSA-N 1 0 306.406 3.241 20 5 DGBDRO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000834675897 629754505 /nfs/dbraw/zinc/75/45/05/629754505.db2.gz MFJRISFFKIJARE-OAHLLOKOSA-N 1 0 322.796 3.259 20 5 DGBDRO C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834906264 629804877 /nfs/dbraw/zinc/80/48/77/629804877.db2.gz NTMBOTLFYTZFEA-GFCCVEGCSA-N 1 0 321.421 3.159 20 5 DGBDRO COCC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCCC1 ZINC000834905464 629804934 /nfs/dbraw/zinc/80/49/34/629804934.db2.gz ITBMJVZXPSTVAL-GFCCVEGCSA-N 1 0 307.394 3.034 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)C ZINC000841889056 630473512 /nfs/dbraw/zinc/47/35/12/630473512.db2.gz ZEQJMIBFZNSVFZ-CYBMUJFWSA-N 1 0 300.786 3.399 20 5 DGBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)[C@H]1C ZINC000842165174 630501200 /nfs/dbraw/zinc/50/12/00/630501200.db2.gz AJYXRTQSSLGRTI-WOPDTQHZSA-N 1 0 323.368 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842474061 630539333 /nfs/dbraw/zinc/53/93/33/630539333.db2.gz CPDUFNVXDKTUFC-WFASDCNBSA-N 1 0 323.824 3.212 20 5 DGBDRO C[NH2+]C[C@@H](C)c1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000842576446 630549203 /nfs/dbraw/zinc/54/92/03/630549203.db2.gz HXIPFWINZAROQN-ZJUUUORDSA-N 1 0 322.390 3.154 20 5 DGBDRO Cc1ccc(C(=O)OC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000842835714 630582955 /nfs/dbraw/zinc/58/29/55/630582955.db2.gz YUJZHIGJONWJSY-AWEZNQCLSA-N 1 0 320.389 3.180 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000843048111 630608411 /nfs/dbraw/zinc/60/84/11/630608411.db2.gz NHAOHPFLBBQJKS-ZBFHGGJFSA-N 1 0 323.824 3.355 20 5 DGBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC12CC=CC2 ZINC000843297879 630643606 /nfs/dbraw/zinc/64/36/06/630643606.db2.gz WERIOEWXELYNNF-IRXDYDNUSA-N 1 0 316.401 3.305 20 5 DGBDRO CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000843421690 630655767 /nfs/dbraw/zinc/65/57/67/630655767.db2.gz FOIQQBHCNDHOPV-AWEZNQCLSA-N 1 0 311.813 3.164 20 5 DGBDRO CCOC(C[N@H+](CC)[C@@H](C)c1cccc([N+](=O)[O-])c1)OCC ZINC000846966743 631368280 /nfs/dbraw/zinc/36/82/80/631368280.db2.gz AQDYNJHBPQGCGW-ZDUSSCGKSA-N 1 0 310.394 3.377 20 5 DGBDRO CC[C@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848483037 631669053 /nfs/dbraw/zinc/66/90/53/631669053.db2.gz XMWZVKMVTCARJF-ZDUSSCGKSA-N 1 0 300.362 3.148 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000848526523 631677643 /nfs/dbraw/zinc/67/76/43/631677643.db2.gz AMQLGTAXZWZQKY-DYVFJYSZSA-N 1 0 324.380 3.423 20 5 DGBDRO Cc1cccc([C@@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848535122 631683113 /nfs/dbraw/zinc/68/31/13/631683113.db2.gz DKGQKSAARCVHFK-WMZOPIPTSA-N 1 0 312.369 3.214 20 5 DGBDRO [NH2+]=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1 ZINC000849086394 631831484 /nfs/dbraw/zinc/83/14/84/631831484.db2.gz NXZSOTNSKBWXGF-UHFFFAOYSA-N 1 0 304.737 3.385 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000849328100 631892787 /nfs/dbraw/zinc/89/27/87/631892787.db2.gz ZRFHJOCVCVDRAN-IRXDYDNUSA-N 1 0 316.332 3.214 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850542285 632187245 /nfs/dbraw/zinc/18/72/45/632187245.db2.gz LBLIWQXHBMTKHL-HWPZZCPQSA-N 1 0 313.357 3.221 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1SCCS1 ZINC000850560728 632193670 /nfs/dbraw/zinc/19/36/70/632193670.db2.gz NADURELYKBIJKN-NSHDSACASA-N 1 0 312.460 3.312 20 5 DGBDRO CO[C@@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000851869562 632512438 /nfs/dbraw/zinc/51/24/38/632512438.db2.gz KOVPPDSTJNALKH-KRWDZBQOSA-N 1 0 304.390 3.158 20 5 DGBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852109033 632556356 /nfs/dbraw/zinc/55/63/56/632556356.db2.gz STVQJFDADXJHDZ-INIZCTEOSA-N 1 0 323.824 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(c3ccco3)CC2)cc1 ZINC000852321149 632586156 /nfs/dbraw/zinc/58/61/56/632586156.db2.gz JBKONWGZCAWCTF-MRXNPFEDSA-N 1 0 316.357 3.101 20 5 DGBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000706403369 660856855 /nfs/dbraw/zinc/85/68/55/660856855.db2.gz IDHXYGXMAXHWGA-UHFFFAOYSA-N 1 0 300.786 3.231 20 5 DGBDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792877962 660990961 /nfs/dbraw/zinc/99/09/61/660990961.db2.gz YBCXRTWFVTTWRC-QWRGUYRKSA-N 1 0 307.350 3.417 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCCC[C@H]2CCO)ccc1Cl ZINC000792927628 660994732 /nfs/dbraw/zinc/99/47/32/660994732.db2.gz PYSMCYDCXAACIX-ZDUSSCGKSA-N 1 0 312.797 3.375 20 5 DGBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000793539048 661043325 /nfs/dbraw/zinc/04/33/25/661043325.db2.gz GVBBCRKOJXYWRD-CHWSQXEVSA-N 1 0 302.378 3.357 20 5 DGBDRO Cc1cccc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000794640215 661095589 /nfs/dbraw/zinc/09/55/89/661095589.db2.gz FSFPWDTXMAIWND-SFHVURJKSA-N 1 0 314.385 3.377 20 5 DGBDRO Cc1cccc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000794640214 661095790 /nfs/dbraw/zinc/09/57/90/661095790.db2.gz FSFPWDTXMAIWND-GOSISDBHSA-N 1 0 314.385 3.377 20 5 DGBDRO CC(C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000795231438 661134911 /nfs/dbraw/zinc/13/49/11/661134911.db2.gz CAFHIJKSHUFKLG-INIZCTEOSA-N 1 0 318.348 3.292 20 5 DGBDRO C[C@]1(c2ccccc2)CCC[N@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000795671177 661166595 /nfs/dbraw/zinc/16/65/95/661166595.db2.gz KIUZDTJXJAOKEL-KRWDZBQOSA-N 1 0 314.389 3.193 20 5 DGBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCCCC1 ZINC000262490788 655750933 /nfs/dbraw/zinc/75/09/33/655750933.db2.gz KYVBNLWMMRXZHQ-UHFFFAOYSA-N 1 0 300.362 3.217 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1C[C@@]1(C)Br)c1cccc([N+](=O)[O-])c1 ZINC000892623911 655965671 /nfs/dbraw/zinc/96/56/71/655965671.db2.gz XVNJABRYHZKMAR-UFGOTCBOSA-N 1 0 313.195 3.419 20 5 DGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)c(F)c1 ZINC000051323003 656141006 /nfs/dbraw/zinc/14/10/06/656141006.db2.gz DJSIWHXSDRQEQQ-MRXNPFEDSA-N 1 0 322.311 3.038 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C)([NH+](C)C)CC1 ZINC000931354399 656213419 /nfs/dbraw/zinc/21/34/19/656213419.db2.gz KRDHNKQWOYYKPC-AWEZNQCLSA-N 1 0 305.422 3.380 20 5 DGBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178864211 657092782 /nfs/dbraw/zinc/09/27/82/657092782.db2.gz ZEYUEXYHZJSUCS-ACJLOTCBSA-N 1 0 312.369 3.075 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]Cc3ccccc32)c(Cl)c1 ZINC000261940255 657222454 /nfs/dbraw/zinc/22/24/54/657222454.db2.gz LEPUFFGQJQOUPI-UHFFFAOYSA-N 1 0 317.776 3.358 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000261971988 657268343 /nfs/dbraw/zinc/26/83/43/657268343.db2.gz QGBHIAQEZMEUQL-ZDUSSCGKSA-N 1 0 317.776 3.138 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1O ZINC000897683619 658483337 /nfs/dbraw/zinc/48/33/37/658483337.db2.gz FQDSMPXFPXCDET-NHYWBVRUSA-N 1 0 318.398 3.136 20 5 DGBDRO C[NH+](C)CC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000042393121 658772948 /nfs/dbraw/zinc/77/29/48/658772948.db2.gz KJIDMQKPPYOTLL-UHFFFAOYSA-N 1 0 311.813 3.022 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC4(CCCC4)C3)c2c1 ZINC000173441327 659387210 /nfs/dbraw/zinc/38/72/10/659387210.db2.gz OMBNYRBYZDCFHG-UHFFFAOYSA-N 1 0 300.362 3.168 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000444797138 659887687 /nfs/dbraw/zinc/88/76/87/659887687.db2.gz CMBNYWOHBYEQGY-KBPBESRZSA-N 1 0 314.389 3.269 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000174942699 659913980 /nfs/dbraw/zinc/91/39/80/659913980.db2.gz SZFBNBXIIZHYHU-ZDUSSCGKSA-N 1 0 317.393 3.179 20 5 DGBDRO CC(C)[N@H+](Cc1cnn(CCF)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000929337171 661298395 /nfs/dbraw/zinc/29/83/95/661298395.db2.gz BYQXYWYFSFGECT-UHFFFAOYSA-N 1 0 320.368 3.171 20 5 DGBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000930215127 661378600 /nfs/dbraw/zinc/37/86/00/661378600.db2.gz YLUUYCMHMCWJGN-ZDUSSCGKSA-N 1 0 318.348 3.332 20 5 DGBDRO CCC(CC)[NH2+]CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000930315034 661388412 /nfs/dbraw/zinc/38/84/12/661388412.db2.gz KMRGOXDDTZDESE-UHFFFAOYSA-N 1 0 322.409 3.111 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930355475 661391575 /nfs/dbraw/zinc/39/15/75/661391575.db2.gz YNVQATSAJZTVFB-YOWGUQMCSA-N 1 0 310.344 3.360 20 5 DGBDRO CC(C)c1nsc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000930593108 661413982 /nfs/dbraw/zinc/41/39/82/661413982.db2.gz CQCWYXSEAMFQMD-JTQLQIEISA-N 1 0 306.391 3.421 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933083452 661617026 /nfs/dbraw/zinc/61/70/26/661617026.db2.gz UTZDATMXLXOOQT-HNNXBMFYSA-N 1 0 304.390 3.233 20 5 DGBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000934232138 661690114 /nfs/dbraw/zinc/69/01/14/661690114.db2.gz CEPDHAWYUDCTPM-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934840906 661740619 /nfs/dbraw/zinc/74/06/19/661740619.db2.gz GKCDHDNRCXKIHR-KGLIPLIRSA-N 1 0 322.380 3.373 20 5 DGBDRO CC1CCC(O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000087045143 662222679 /nfs/dbraw/zinc/22/26/79/662222679.db2.gz DNAZTQJBPKWJJJ-UHFFFAOYSA-N 1 0 312.797 3.279 20 5 DGBDRO Cc1cc(C[NH3+])cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC001579595862 1191980762 /nfs/dbraw/zinc/98/07/62/1191980762.db2.gz LLWCAYKFCQVXRS-UHFFFAOYSA-N 1 0 302.290 3.014 20 5 DGBDRO Cc1cc(Cl)c(C(=O)Nc2cccc(C[NH3+])c2)cc1[N+](=O)[O-] ZINC001579605245 1191981656 /nfs/dbraw/zinc/98/16/56/1191981656.db2.gz LPBHGPCJOZNTGB-UHFFFAOYSA-N 1 0 319.748 3.268 20 5 DGBDRO Cc1cc(Cl)c(C(=O)Oc2cccc(C[NH3+])c2)cc1[N+](=O)[O-] ZINC001579605086 1191982000 /nfs/dbraw/zinc/98/20/00/1191982000.db2.gz JFRORSLJSWDTDL-UHFFFAOYSA-N 1 0 320.732 3.235 20 5 DGBDRO Nc1cc[nH+]c(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC001580463001 1192028479 /nfs/dbraw/zinc/02/84/79/1192028479.db2.gz RWANHIAPOFJHOM-UHFFFAOYSA-N 1 0 312.251 3.203 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001620915981 1192601257 /nfs/dbraw/zinc/60/12/57/1192601257.db2.gz XNWWWPXEARWHNF-GOSISDBHSA-N 1 0 314.385 3.343 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCCC[N@@H+](C)CC(C)C ZINC001620994756 1192778338 /nfs/dbraw/zinc/77/83/38/1192778338.db2.gz QHTQOGAITYHLTP-UHFFFAOYSA-N 1 0 307.438 3.279 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CSCCS1 ZINC000229594403 1177070105 /nfs/dbraw/zinc/07/01/05/1177070105.db2.gz FDSYPSNQVPGDIX-NSHDSACASA-N 1 0 318.851 3.186 20 5 DGBDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001332958143 1178528617 /nfs/dbraw/zinc/52/86/17/1178528617.db2.gz HFZPLPYTBDYHGQ-JQWIXIFHSA-N 1 0 321.402 3.452 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC001333000196 1178537511 /nfs/dbraw/zinc/53/75/11/1178537511.db2.gz MMKOULOOGJGENM-QGZVFWFLSA-N 1 0 306.406 3.052 20 5 DGBDRO Cn1cc(C[NH2+]CCCC(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001334232295 1178738403 /nfs/dbraw/zinc/73/84/03/1178738403.db2.gz DGDYRTRBSSOAEW-UHFFFAOYSA-N 1 0 324.331 3.130 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001334972722 1178836170 /nfs/dbraw/zinc/83/61/70/1178836170.db2.gz JMEILAQTWCQWOF-UONOGXRCSA-N 1 0 311.813 3.211 20 5 DGBDRO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001345670353 1179591947 /nfs/dbraw/zinc/59/19/47/1179591947.db2.gz TUEXZPMISKBQMW-AAEUAGOBSA-N 1 0 316.361 3.117 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC001200223405 1180464858 /nfs/dbraw/zinc/46/48/58/1180464858.db2.gz IXJWJEGJBGAIIZ-UHFFFAOYSA-N 1 0 321.402 3.473 20 5 DGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001474626521 1181595317 /nfs/dbraw/zinc/59/53/17/1181595317.db2.gz NGOXYFOSFUMRAD-PLYYQAHHSA-N 1 0 318.417 3.463 20 5 DGBDRO CN(CC[N@H+](C)C1CC1)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001458325376 1182514787 /nfs/dbraw/zinc/51/47/87/1182514787.db2.gz LTGSNFPYNPGKKF-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO CCOc1cc(NCC[N@@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC001458435959 1182524017 /nfs/dbraw/zinc/52/40/17/1182524017.db2.gz SOQPATNTYCRSJC-UHFFFAOYSA-N 1 0 307.394 3.280 20 5 DGBDRO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001459702365 1182606899 /nfs/dbraw/zinc/60/68/99/1182606899.db2.gz VUSCIECIHIHNAP-RBSFLKMASA-N 1 0 318.421 3.302 20 5 DGBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001460751669 1182716462 /nfs/dbraw/zinc/71/64/62/1182716462.db2.gz YUEHKSBSSHUPMR-OAHLLOKOSA-N 1 0 322.405 3.253 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)N1CCCCC1 ZINC001461086517 1182764672 /nfs/dbraw/zinc/76/46/72/1182764672.db2.gz FSJNDCRAMXWYDS-AWEZNQCLSA-N 1 0 305.422 3.176 20 5 DGBDRO CCC[C@H](CCO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001461690834 1182843324 /nfs/dbraw/zinc/84/33/24/1182843324.db2.gz ATYFVCPOCGHTNQ-CQSZACIVSA-N 1 0 318.373 3.496 20 5 DGBDRO CC(C)[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001461833136 1182865936 /nfs/dbraw/zinc/86/59/36/1182865936.db2.gz DMVKRMHVNFJIEY-AWEZNQCLSA-N 1 0 320.414 3.430 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)[C@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC001462181266 1182918663 /nfs/dbraw/zinc/91/86/63/1182918663.db2.gz UHSPGXDMPSDWRT-LBPRGKRZSA-N 1 0 308.378 3.320 20 5 DGBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1C[NH+](C)C ZINC001468882899 1183366497 /nfs/dbraw/zinc/36/64/97/1183366497.db2.gz UZUKARVNPHGGCX-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1OC ZINC001473446099 1183758322 /nfs/dbraw/zinc/75/83/22/1183758322.db2.gz AEWUAQYZMGFBQP-CVEARBPZSA-N 1 0 322.405 3.287 20 5 DGBDRO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001473799540 1183803877 /nfs/dbraw/zinc/80/38/77/1183803877.db2.gz DPJXGSFKWKSDSG-GOSISDBHSA-N 1 0 314.385 3.377 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(COC)CCCC1 ZINC001474181904 1183878767 /nfs/dbraw/zinc/87/87/67/1183878767.db2.gz RIHKZWQFPOINHP-UHFFFAOYSA-N 1 0 322.405 3.290 20 5 DGBDRO O=C(C[NH2+]Cc1c2ccccc2cc2ccccc21)N1CCCO1 ZINC001474295870 1183897829 /nfs/dbraw/zinc/89/78/29/1183897829.db2.gz OVZYUXVWMMEZJE-UHFFFAOYSA-N 1 0 320.392 3.247 20 5 DGBDRO CC(C)C[C@@H](C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001474405775 1183915182 /nfs/dbraw/zinc/91/51/82/1183915182.db2.gz CXAHGZNOHUQPAH-OAHLLOKOSA-N 1 0 305.422 3.399 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC001474401061 1183916227 /nfs/dbraw/zinc/91/62/27/1183916227.db2.gz DJFZKGJMHRPEEF-WCQYABFASA-N 1 0 308.378 3.320 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001474561525 1183940525 /nfs/dbraw/zinc/94/05/25/1183940525.db2.gz ZMRZCUFDLRCOOJ-LBPRGKRZSA-N 1 0 313.829 3.458 20 5 DGBDRO C[N@@H+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1(C)C ZINC001612554005 1193455065 /nfs/dbraw/zinc/45/50/65/1193455065.db2.gz RQUNRBCWNLJQCL-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO CC(C)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCCC1 ZINC001559062470 1189167111 /nfs/dbraw/zinc/16/71/11/1189167111.db2.gz YRXBRAMLZWTUDH-OAHLLOKOSA-N 1 0 317.393 3.003 20 5 DGBDRO C[N@@H+]1CCC[C@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001559101544 1189170939 /nfs/dbraw/zinc/17/09/39/1189170939.db2.gz LSSIUPQFJBDZBG-SNVBAGLBSA-N 1 0 317.311 3.367 20 5 DGBDRO C[C@@H]1[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001559283671 1189192353 /nfs/dbraw/zinc/19/23/53/1189192353.db2.gz SLYPGLWRFLMQSP-PSASIEDQSA-N 1 0 303.284 3.118 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CCC(C)C)CC1 ZINC001559601691 1189221666 /nfs/dbraw/zinc/22/16/66/1189221666.db2.gz KRNLGDFRZVBCPL-UHFFFAOYSA-N 1 0 308.426 3.248 20 5 DGBDRO CC(C)(C)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001560235296 1189295869 /nfs/dbraw/zinc/29/58/69/1189295869.db2.gz GRLXCUQJAYRRIT-INIZCTEOSA-N 1 0 306.406 3.274 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3ccccn23)cc1[N+](=O)[O-] ZINC001560357667 1189317077 /nfs/dbraw/zinc/31/70/77/1189317077.db2.gz UCYMEQLOQGASGD-CYBMUJFWSA-N 1 0 310.357 3.402 20 5 DGBDRO CS[C@@H](C)C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001560411204 1189325048 /nfs/dbraw/zinc/32/50/48/1189325048.db2.gz TVDJEDHQFKSQDA-QMMMGPOBSA-N 1 0 319.224 3.198 20 5 DGBDRO COC1CCC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001560710979 1189364363 /nfs/dbraw/zinc/36/43/63/1189364363.db2.gz AMJDEXHFWQQDNE-UHFFFAOYSA-N 1 0 312.797 3.338 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CC1CCC1 ZINC001560954650 1189410265 /nfs/dbraw/zinc/41/02/65/1189410265.db2.gz YAGRMYYOYRTLGE-QWHCGFSZSA-N 1 0 319.405 3.480 20 5 DGBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001575532132 1191489766 /nfs/dbraw/zinc/48/97/66/1191489766.db2.gz ZPWSSXUSZOBREJ-QGZVFWFLSA-N 1 0 321.421 3.212 20 5 DGBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001576380728 1191576514 /nfs/dbraw/zinc/57/65/14/1191576514.db2.gz XPNMAWPCGKBOHG-CVEARBPZSA-N 1 0 315.373 3.070 20 5 DGBDRO CC1(C)CC[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])[NH2+]C1 ZINC001576421853 1191606494 /nfs/dbraw/zinc/60/64/94/1191606494.db2.gz QMBRIJUQBWVFMR-ZDUSSCGKSA-N 1 0 314.389 3.333 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCOCC3)o2)cc1 ZINC001620729408 1193794970 /nfs/dbraw/zinc/79/49/70/1193794970.db2.gz MMLADVZUEQBZKH-UHFFFAOYSA-N 1 0 302.330 3.123 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC001621545462 1193856786 /nfs/dbraw/zinc/85/67/86/1193856786.db2.gz YEWRFKRHEZNXKO-NHYWBVRUSA-N 1 0 312.797 3.279 20 5 DGBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001637735754 1194684390 /nfs/dbraw/zinc/68/43/90/1194684390.db2.gz WVMSVOHKGHOVMS-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO C[NH+](C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001639070871 1194749897 /nfs/dbraw/zinc/74/98/97/1194749897.db2.gz MCLWVFZTXRJXDP-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO CC(C)(C)[NH2+]CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001639508891 1194769451 /nfs/dbraw/zinc/76/94/51/1194769451.db2.gz JKABZSGHPBGMIC-UHFFFAOYSA-N 1 0 322.796 3.018 20 5 DGBDRO CC(=O)c1ccc(NCc2ccc3c[nH+]cn3c2)c([N+](=O)[O-])c1 ZINC001640008898 1194791174 /nfs/dbraw/zinc/79/11/74/1194791174.db2.gz GQCSZXHBJCINDE-UHFFFAOYSA-N 1 0 310.313 3.057 20 5 DGBDRO CC[C@@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001640274904 1194804762 /nfs/dbraw/zinc/80/47/62/1194804762.db2.gz LNTHKGRKJAQVMO-DTWKUNHWSA-N 1 0 318.204 3.478 20 5 DGBDRO CC1([NH+]2CCCCC2)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001640368092 1194809394 /nfs/dbraw/zinc/80/93/94/1194809394.db2.gz HKGHTVDJSPPPIS-UHFFFAOYSA-N 1 0 303.406 3.440 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1F ZINC001640526052 1194818324 /nfs/dbraw/zinc/81/83/24/1194818324.db2.gz YBJIGJOFYQGKHU-YOEHRIQHSA-N 1 0 321.396 3.433 20 5 DGBDRO CN(CCCC[NH+](C)C)c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001643129563 1194997351 /nfs/dbraw/zinc/99/73/51/1194997351.db2.gz CKNWUBQHAHXUDZ-UHFFFAOYSA-N 1 0 320.368 3.060 20 5 DGBDRO C[NH+]1C[C@]2(C)CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC001644042200 1195077051 /nfs/dbraw/zinc/07/70/51/1195077051.db2.gz MHFNMUGYAKKUEE-HZPDHXFCSA-N 1 0 323.824 3.022 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccccc1C)C(C)C ZINC001645105859 1195157905 /nfs/dbraw/zinc/15/79/05/1195157905.db2.gz LUJLEROTDPNULR-KRWDZBQOSA-N 1 0 316.405 3.395 20 5 DGBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H](C)C1 ZINC001645913459 1195207343 /nfs/dbraw/zinc/20/73/43/1195207343.db2.gz WNHJJWOENIYKJD-HUUCEWRRSA-N 1 0 308.426 3.472 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001650744746 1195377322 /nfs/dbraw/zinc/37/73/22/1195377322.db2.gz MCEZGKJPFOGKCM-AWEZNQCLSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1cccc(CNCc2cccc(C(F)(F)F)n2)c1 ZINC001651099779 1195414741 /nfs/dbraw/zinc/41/47/41/1195414741.db2.gz RGGLJYYYSBOCTK-UHFFFAOYSA-N 1 0 311.263 3.298 20 5 DGBDRO CCC(CC)[NH2+]CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001651200113 1195425526 /nfs/dbraw/zinc/42/55/26/1195425526.db2.gz RRSDPSZTDXXZOJ-UHFFFAOYSA-N 1 0 306.410 3.059 20 5 DGBDRO Cc1ccc([C@@H](C)CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC001652380277 1195589391 /nfs/dbraw/zinc/58/93/91/1195589391.db2.gz CKGRXGJGUOQZNM-HNNXBMFYSA-N 1 0 313.401 3.472 20 5 DGBDRO CO[C@]1(C)C[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001652571079 1195618893 /nfs/dbraw/zinc/61/88/93/1195618893.db2.gz FCHNGONTHJCMGN-NVXWUHKLSA-N 1 0 322.405 3.109 20 5 DGBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001652571081 1195619039 /nfs/dbraw/zinc/61/90/39/1195619039.db2.gz FCHNGONTHJCMGN-WBVHZDCISA-N 1 0 322.405 3.109 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC001653191360 1195696593 /nfs/dbraw/zinc/69/65/93/1195696593.db2.gz NDBTURADTZMENW-GFCCVEGCSA-N 1 0 318.377 3.232 20 5 DGBDRO CO[C@]1(C)C[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653449930 1195724976 /nfs/dbraw/zinc/72/49/76/1195724976.db2.gz PBRVJOCFECUASF-DOTOQJQBSA-N 1 0 306.406 3.273 20 5 DGBDRO CCCCCC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001653553513 1195733632 /nfs/dbraw/zinc/73/36/32/1195733632.db2.gz IXBOHOKVEXHYIR-KRWDZBQOSA-N 1 0 306.406 3.284 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC001653769924 1195749384 /nfs/dbraw/zinc/74/93/84/1195749384.db2.gz QRPGKRLDDJNXRN-JSGCOSHPSA-N 1 0 308.426 3.246 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC001654367948 1195796669 /nfs/dbraw/zinc/79/66/69/1195796669.db2.gz GYLBVEQDCIASMF-CVEARBPZSA-N 1 0 322.405 3.157 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC001654541783 1195815579 /nfs/dbraw/zinc/81/55/79/1195815579.db2.gz YAYXHOALESPSDE-UONOGXRCSA-N 1 0 322.430 3.049 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@]2(C)CCCC[C@@H]2C)c1 ZINC001654665351 1195828434 /nfs/dbraw/zinc/82/84/34/1195828434.db2.gz OLTAMZYZPMCEOG-YVEFUNNKSA-N 1 0 320.389 3.440 20 5 DGBDRO CC(C)Oc1nc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001655099100 1195875905 /nfs/dbraw/zinc/87/59/05/1195875905.db2.gz XMRBXZFOBGDAPC-OLZOCXBDSA-N 1 0 322.409 3.062 20 5 DGBDRO C[NH+]1C[C@@]2(C)CN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001655234426 1195894439 /nfs/dbraw/zinc/89/44/39/1195894439.db2.gz IODWMVAILNCZRX-HOTGVXAUSA-N 1 0 323.824 3.022 20 5 DGBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1 ZINC001655942872 1195981348 /nfs/dbraw/zinc/98/13/48/1195981348.db2.gz RCSUVSIDTHYZGC-SJORKVTESA-N 1 0 303.406 3.294 20 5 DGBDRO C[C@@]12CSC[C@@H]1C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001656401392 1196036355 /nfs/dbraw/zinc/03/63/55/1196036355.db2.gz AMCXIEUHHTVNTK-SMDDNHRTSA-N 1 0 312.822 3.433 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC001656628465 1196055855 /nfs/dbraw/zinc/05/58/55/1196055855.db2.gz SGOZOFQWTAXOTB-GFCCVEGCSA-N 1 0 316.357 3.468 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001656998431 1196091425 /nfs/dbraw/zinc/09/14/25/1196091425.db2.gz FWUQEYWYILJGEZ-UHFFFAOYSA-N 1 0 311.341 3.375 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1[N+](=O)[O-] ZINC001657052735 1196096674 /nfs/dbraw/zinc/09/66/74/1196096674.db2.gz WMPWTDFOVFALJI-LBPRGKRZSA-N 1 0 310.357 3.364 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCC(C)C)C1CCCC1 ZINC001657094117 1196104026 /nfs/dbraw/zinc/10/40/26/1196104026.db2.gz WBAZKZXGLNALHV-UHFFFAOYSA-N 1 0 308.426 3.390 20 5 DGBDRO CC[C@](C)(C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC001657242387 1196122764 /nfs/dbraw/zinc/12/27/64/1196122764.db2.gz GHPHXZHCLLAPII-CQSZACIVSA-N 1 0 300.786 3.495 20 5 DGBDRO CC(C)(CCO)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001657318524 1196129934 /nfs/dbraw/zinc/12/99/34/1196129934.db2.gz REOZICUWKIWQEP-UHFFFAOYSA-N 1 0 318.373 3.353 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001657471525 1196145866 /nfs/dbraw/zinc/14/58/66/1196145866.db2.gz MTTAVHQYJCGEDU-ZDUSSCGKSA-N 1 0 310.394 3.350 20 5 DGBDRO O=c1[nH]cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC001658017323 1196202374 /nfs/dbraw/zinc/20/23/74/1196202374.db2.gz LVXNQUWNODLLSL-UHFFFAOYSA-N 1 0 309.325 3.138 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC001658186469 1196222304 /nfs/dbraw/zinc/22/23/04/1196222304.db2.gz QTBPYRYRBIYALN-INIZCTEOSA-N 1 0 318.417 3.460 20 5 DGBDRO C[C@H](C[NH2+]Cc1cccc2c[nH]nc21)c1ccccc1[N+](=O)[O-] ZINC001658683215 1196288745 /nfs/dbraw/zinc/28/87/45/1196288745.db2.gz AXTIPUTZZAVVIV-GFCCVEGCSA-N 1 0 310.357 3.364 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001658738386 1196293976 /nfs/dbraw/zinc/29/39/76/1196293976.db2.gz WPXHZRRLVVIXLR-ZIAGYGMSSA-N 1 0 306.431 3.397 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H]4CC[C@H]3O4)o2)cc1 ZINC001658789793 1196301859 /nfs/dbraw/zinc/30/18/59/1196301859.db2.gz DANFXJMPUHKTFU-YSVLISHTSA-N 1 0 314.341 3.264 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC001659282598 1196366783 /nfs/dbraw/zinc/36/67/83/1196366783.db2.gz KJYMXQNCHFBZBH-SFHVURJKSA-N 1 0 314.385 3.377 20 5 DGBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001659510368 1196389720 /nfs/dbraw/zinc/38/97/20/1196389720.db2.gz HZQUEMNXKVENQX-GXFFZTMASA-N 1 0 300.786 3.135 20 5 DGBDRO CCC(O)(CC)C(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001660267985 1196464450 /nfs/dbraw/zinc/46/44/50/1196464450.db2.gz LBPWELGTTVUPLJ-UHFFFAOYSA-N 1 0 308.422 3.304 20 5 DGBDRO Cn1cnc2c1ccc1c2CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC001660620101 1196504973 /nfs/dbraw/zinc/50/49/73/1196504973.db2.gz BSDCRIPEGSSORA-UHFFFAOYSA-N 1 0 322.368 3.434 20 5 DGBDRO CC(C)(C)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001660683005 1196512125 /nfs/dbraw/zinc/51/21/25/1196512125.db2.gz OCFQOKSZTGXLED-INIZCTEOSA-N 1 0 322.405 3.111 20 5 DGBDRO CC(C)[C@H](O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001661478819 1196610528 /nfs/dbraw/zinc/61/05/28/1196610528.db2.gz SIPXKNRAWCDKLZ-MRXNPFEDSA-N 1 0 318.373 3.351 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001662971537 1196778826 /nfs/dbraw/zinc/77/88/26/1196778826.db2.gz XKFACFXCNWNHQD-DLBZAZTESA-N 1 0 304.390 3.341 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC001663370466 1196850355 /nfs/dbraw/zinc/85/03/55/1196850355.db2.gz IGEFPKMJCFMENU-RHSMWYFYSA-N 1 0 304.390 3.259 20 5 DGBDRO CC[C@H](C)CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001665199504 1197108151 /nfs/dbraw/zinc/10/81/51/1197108151.db2.gz QZZLHHNFZSOKDR-QWHCGFSZSA-N 1 0 307.394 3.338 20 5 DGBDRO Cc1cc(F)c(O[C@@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001234240891 1098519995 /nfs/dbraw/zinc/51/99/95/1098519995.db2.gz MTPXKMMGKLIDKA-JTQLQIEISA-N 1 0 305.211 3.370 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001169716526 1081638016 /nfs/dbraw/zinc/63/80/16/1081638016.db2.gz UITXABPXSTUQCY-UHFFFAOYSA-N 1 0 320.368 3.424 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1NCc1ccc2c(c1)C(=O)NC2 ZINC001169767097 1081651203 /nfs/dbraw/zinc/65/12/03/1081651203.db2.gz SFLWJBXAIORWAH-UHFFFAOYSA-O 1 0 324.448 3.138 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170306251 1082337164 /nfs/dbraw/zinc/33/71/64/1082337164.db2.gz TYLCDBWMCLGOCG-OCCSQVGLSA-N 1 0 322.405 3.082 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170294757 1082337210 /nfs/dbraw/zinc/33/72/10/1082337210.db2.gz CICYXMJICHJWIS-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170306250 1082337315 /nfs/dbraw/zinc/33/73/15/1082337315.db2.gz TYLCDBWMCLGOCG-JSGCOSHPSA-N 1 0 322.405 3.082 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170294753 1082337383 /nfs/dbraw/zinc/33/73/83/1082337383.db2.gz CICYXMJICHJWIS-CHWSQXEVSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170294758 1082337692 /nfs/dbraw/zinc/33/76/92/1082337692.db2.gz CICYXMJICHJWIS-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccoc2)c([N+](=O)[O-])c1 ZINC001170315922 1082344862 /nfs/dbraw/zinc/34/48/62/1082344862.db2.gz ZGDYOZZJQROKCW-NWDGAFQWSA-N 1 0 304.346 3.478 20 5 DGBDRO CC[C@H](C)[NH+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC001170315501 1082345192 /nfs/dbraw/zinc/34/51/92/1082345192.db2.gz MSAFINIBYBADEK-GJZGRUSLSA-N 1 0 305.422 3.380 20 5 DGBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170329922 1082347638 /nfs/dbraw/zinc/34/76/38/1082347638.db2.gz WWDJTTRBTMEIQW-ZDUSSCGKSA-N 1 0 315.373 3.061 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H](C)C[C@H]2CF)c([N+](=O)[O-])c1 ZINC001170329072 1082347718 /nfs/dbraw/zinc/34/77/18/1082347718.db2.gz OBIGZSVSKAXNGU-OBJOEFQTSA-N 1 0 310.369 3.214 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC001170345233 1082356900 /nfs/dbraw/zinc/35/69/00/1082356900.db2.gz IJAWLKKEPAWVBQ-QWHCGFSZSA-N 1 0 310.369 3.216 20 5 DGBDRO C[C@H](Nc1nc2ccccc2c2ccccc21)[C@@H]1C[NH2+]CCO1 ZINC001170573902 1082693036 /nfs/dbraw/zinc/69/30/36/1082693036.db2.gz LIYREZQWYZIZKR-UGSOOPFHSA-N 1 0 307.397 3.177 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCCC[NH2+]C2)c(Cl)c1Cl ZINC001217974549 1082977434 /nfs/dbraw/zinc/97/74/34/1082977434.db2.gz OSBWDLYXMPWBBY-QMMMGPOBSA-N 1 0 305.161 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[NH2+]CCC[C@@H]2F)cc1Cl ZINC001217979350 1082979142 /nfs/dbraw/zinc/97/91/42/1082979142.db2.gz GASNEZCWQYXATK-JOYOIKCWSA-N 1 0 323.151 3.371 20 5 DGBDRO Cc1cc(O[C@H]2C[NH2+]CCC[C@H]2F)c([N+](=O)[O-])cc1Cl ZINC001217981784 1082981783 /nfs/dbraw/zinc/98/17/83/1082981783.db2.gz QKZBPLYCLIPAAZ-MFKMUULPSA-N 1 0 302.733 3.026 20 5 DGBDRO C[C@H]1C[C@@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[NH2+]1 ZINC001218049027 1083019225 /nfs/dbraw/zinc/01/92/25/1083019225.db2.gz IRRHYCCDTKLGDF-YUMQZZPRSA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C[NH2+]1 ZINC001218395326 1083167132 /nfs/dbraw/zinc/16/71/32/1083167132.db2.gz VXEBVXGLPGMXSJ-YUMQZZPRSA-N 1 0 305.161 3.421 20 5 DGBDRO C[NH2+]CCNc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001167724136 1083283735 /nfs/dbraw/zinc/28/37/35/1083283735.db2.gz HWUAQGFXUXJLLG-UHFFFAOYSA-N 1 0 303.387 3.377 20 5 DGBDRO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001167778214 1083797369 /nfs/dbraw/zinc/79/73/69/1083797369.db2.gz BZBCGHINUJCAHV-KFWWJZLASA-N 1 0 318.421 3.302 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC001184501224 1084202983 /nfs/dbraw/zinc/20/29/83/1084202983.db2.gz XIHFGQCXIVFXDC-MRXNPFEDSA-N 1 0 313.401 3.488 20 5 DGBDRO Cc1ccc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001184710461 1084244851 /nfs/dbraw/zinc/24/48/51/1084244851.db2.gz HHRNYQYPDAAYIA-ZIAGYGMSSA-N 1 0 321.421 3.203 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001184839322 1084273486 /nfs/dbraw/zinc/27/34/86/1084273486.db2.gz GJNRTOKUBJKQFI-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001185018180 1084313205 /nfs/dbraw/zinc/31/32/05/1084313205.db2.gz XRUCAZRDZKLGKS-WDEREUQCSA-N 1 0 313.348 3.405 20 5 DGBDRO CCN(CCC[NH+](C)C)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001186132689 1084597029 /nfs/dbraw/zinc/59/70/29/1084597029.db2.gz YRAIZLZOSCMRJQ-UHFFFAOYSA-N 1 0 319.327 3.392 20 5 DGBDRO Cc1cc(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001186748862 1084696352 /nfs/dbraw/zinc/69/63/52/1084696352.db2.gz XIDUDDUQEYSVAM-UHFFFAOYSA-N 1 0 317.311 3.428 20 5 DGBDRO CCOc1cc(N(C(N)=[NH2+])c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001167994559 1086062157 /nfs/dbraw/zinc/06/21/57/1086062157.db2.gz LQWRQZXFINOBAD-UHFFFAOYSA-N 1 0 318.308 3.164 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227129640 1086500031 /nfs/dbraw/zinc/50/00/31/1086500031.db2.gz LLOAWJLKYCMGGG-QMMMGPOBSA-N 1 0 305.161 3.375 20 5 DGBDRO CC1(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001168186296 1087032028 /nfs/dbraw/zinc/03/20/28/1087032028.db2.gz VVGYLRMBMXRRTA-UHFFFAOYSA-N 1 0 303.284 3.168 20 5 DGBDRO Cc1c(C)c(N2CCC([NH3+])(CC3CCC3)CC2)ncc1[N+](=O)[O-] ZINC001161571905 1087365842 /nfs/dbraw/zinc/36/58/42/1087365842.db2.gz YRHHNPIECKLVRA-UHFFFAOYSA-N 1 0 318.421 3.095 20 5 DGBDRO O=[N+]([O-])c1c(Cl)ccc2nc(NCC[C@H]3CCC[NH2+]3)ccc21 ZINC001158628154 1087951195 /nfs/dbraw/zinc/95/11/95/1087951195.db2.gz XNOYQOVCYLVSNM-SNVBAGLBSA-N 1 0 320.780 3.350 20 5 DGBDRO [NH3+]Cc1ccn(-c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)c1 ZINC001158766733 1088015825 /nfs/dbraw/zinc/01/58/25/1088015825.db2.gz GTJDQUKIZUXFEX-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO Cc1nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC001159391461 1088333067 /nfs/dbraw/zinc/33/30/67/1088333067.db2.gz JGOAMJMJCXROSN-UHFFFAOYSA-N 1 0 306.410 3.362 20 5 DGBDRO C[NH+]1C(C)(C)CC(Nc2ncc([N+](=O)[O-])cc2F)CC1(C)C ZINC001159396871 1088335361 /nfs/dbraw/zinc/33/53/61/1088335361.db2.gz BSXZQNPRKZDEBI-UHFFFAOYSA-N 1 0 310.373 3.192 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccc3c2CC[NH2+]C3)c1F ZINC001159548487 1088390247 /nfs/dbraw/zinc/39/02/47/1088390247.db2.gz KZEDGCUUYKSGIN-UHFFFAOYSA-N 1 0 305.284 3.262 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001159856995 1088519555 /nfs/dbraw/zinc/51/95/55/1088519555.db2.gz YDJXVFWLKQLSAC-UHFFFAOYSA-N 1 0 312.373 3.056 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC001159923560 1088552986 /nfs/dbraw/zinc/55/29/86/1088552986.db2.gz QCPBCDKMUUVQGV-AWEZNQCLSA-N 1 0 317.320 3.218 20 5 DGBDRO Cc1nc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)ccc1[N+](=O)[O-] ZINC001159946951 1088563991 /nfs/dbraw/zinc/56/39/91/1088563991.db2.gz HXTNGAAKNYTQFT-GFCCVEGCSA-N 1 0 322.368 3.058 20 5 DGBDRO CC[NH2+]Cc1cccc(Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001159962790 1088576680 /nfs/dbraw/zinc/57/66/80/1088576680.db2.gz QKVQINBTDWHAPR-UHFFFAOYSA-N 1 0 301.346 3.457 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)nc1-c1ccccc1 ZINC001160150137 1088670248 /nfs/dbraw/zinc/67/02/48/1088670248.db2.gz FMLZXZSIWYOAMK-CQSZACIVSA-N 1 0 312.373 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2ccccc2O[C@@H]2CCC[NH2+]C2)cc1 ZINC001160237228 1088716338 /nfs/dbraw/zinc/71/63/38/1088716338.db2.gz ZDWWKODPVPMLAF-OAHLLOKOSA-N 1 0 313.357 3.469 20 5 DGBDRO [NH3+]Cc1cccc2ccn(-c3cc(Cl)ncc3[N+](=O)[O-])c21 ZINC001160453877 1088809703 /nfs/dbraw/zinc/80/97/03/1088809703.db2.gz UATHURNTVZFYNX-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO C[C@@H]1C[C@@H](CNc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C[NH2+]1 ZINC001155101963 1088946786 /nfs/dbraw/zinc/94/67/86/1088946786.db2.gz LKAMOHGBNDYQPQ-NXEZZACHSA-N 1 0 320.780 3.206 20 5 DGBDRO [NH3+]Cc1ccccc1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001160905904 1089011531 /nfs/dbraw/zinc/01/15/31/1089011531.db2.gz JHJKKVWAHTVTCS-UHFFFAOYSA-N 1 0 308.341 3.214 20 5 DGBDRO [NH3+]Cc1ccccc1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC001160908610 1089012736 /nfs/dbraw/zinc/01/27/36/1089012736.db2.gz PSGSEWHBOHFBQD-UHFFFAOYSA-N 1 0 308.341 3.214 20 5 DGBDRO [NH3+]CCc1cccc(Nc2ccc3c(cccc3[N+](=O)[O-])n2)c1 ZINC001161078818 1089106990 /nfs/dbraw/zinc/10/69/90/1089106990.db2.gz KOIAHUQEVRLKTK-UHFFFAOYSA-N 1 0 308.341 3.388 20 5 DGBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001161182013 1089144343 /nfs/dbraw/zinc/14/43/43/1089144343.db2.gz TVXDWJSUGHGMSF-LBPRGKRZSA-N 1 0 324.812 3.320 20 5 DGBDRO CC(C)(C)CN(c1cccc([N+](=O)[O-])n1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161674983 1089338870 /nfs/dbraw/zinc/33/88/70/1089338870.db2.gz HBGLBVVHEXBGDX-JOCQHMNTSA-N 1 0 306.410 3.112 20 5 DGBDRO Cc1ccc(C)c(CCNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c1 ZINC001161831342 1089429847 /nfs/dbraw/zinc/42/98/47/1089429847.db2.gz BVDDHOIKWZLQBT-UHFFFAOYSA-N 1 0 311.385 3.469 20 5 DGBDRO [NH3+]CCN(c1cccc2ccccc21)c1cccnc1[N+](=O)[O-] ZINC001162005848 1089521756 /nfs/dbraw/zinc/52/17/56/1089521756.db2.gz ZRVQZVULNFOHKG-UHFFFAOYSA-N 1 0 308.341 3.240 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001156494357 1089548705 /nfs/dbraw/zinc/54/87/05/1089548705.db2.gz CADGCWOTHRRFPD-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO C[C@@]1([NH3+])C[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC001162331432 1089675780 /nfs/dbraw/zinc/67/57/80/1089675780.db2.gz PCTHQXAKTVKJTM-DRQUAOQDSA-N 1 0 316.336 3.088 20 5 DGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162399800 1089715871 /nfs/dbraw/zinc/71/58/71/1089715871.db2.gz DURIZGKOTUUSBW-UWVGGRQHSA-N 1 0 313.785 3.247 20 5 DGBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001162459170 1089744037 /nfs/dbraw/zinc/74/40/37/1089744037.db2.gz YBISVFDIBUJCOI-QWHCGFSZSA-N 1 0 307.394 3.041 20 5 DGBDRO CC(C)[N@H+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001157010947 1089785909 /nfs/dbraw/zinc/78/59/09/1089785909.db2.gz UUWCKSBACZMTBW-ZDUSSCGKSA-N 1 0 314.389 3.062 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001162583879 1089808021 /nfs/dbraw/zinc/80/80/21/1089808021.db2.gz VCCQVZRZROTCEP-ZDUSSCGKSA-N 1 0 301.749 3.142 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162583484 1089808950 /nfs/dbraw/zinc/80/89/50/1089808950.db2.gz OZWYXIWNHASGTM-MRXNPFEDSA-N 1 0 309.385 3.414 20 5 DGBDRO Cc1cc(Cl)c(NC[C@@]2(F)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001162585883 1089811599 /nfs/dbraw/zinc/81/15/99/1089811599.db2.gz NCMQUTUYPYLCPQ-CQSZACIVSA-N 1 0 315.776 3.450 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1NCc1nnc2cc(C)ccn21 ZINC001162698006 1089889395 /nfs/dbraw/zinc/88/93/95/1089889395.db2.gz BHDYUDQGKTURFE-UHFFFAOYSA-N 1 0 324.452 3.246 20 5 DGBDRO Cc1c([N+](=O)[O-])cc(F)cc1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162846856 1089989459 /nfs/dbraw/zinc/98/94/59/1089989459.db2.gz BSYRVTYRGJWNBI-CYBMUJFWSA-N 1 0 301.321 3.064 20 5 DGBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc3nc[nH]c3c2[N+](=O)[O-])c1 ZINC001162908936 1090020043 /nfs/dbraw/zinc/02/00/43/1090020043.db2.gz STFDJYGNAHEIMU-JTQLQIEISA-N 1 0 321.340 3.435 20 5 DGBDRO CC(C)N(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001163188475 1090105871 /nfs/dbraw/zinc/10/58/71/1090105871.db2.gz WKJGYIPJXHGVIG-UHFFFAOYSA-N 1 0 321.208 3.249 20 5 DGBDRO O=[N+]([O-])c1c(F)cc(F)cc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163228055 1090124562 /nfs/dbraw/zinc/12/45/62/1090124562.db2.gz HJQHCBCKECESTI-NSHDSACASA-N 1 0 311.313 3.191 20 5 DGBDRO COc1cc(N[C@@H]2C[NH2+]Cc3ccsc32)cc([N+](=O)[O-])c1C ZINC001163228597 1090126951 /nfs/dbraw/zinc/12/69/51/1090126951.db2.gz LLAMDCRDNJADPK-GFCCVEGCSA-N 1 0 319.386 3.230 20 5 DGBDRO Cc1cc(NCC(C)(C)C[NH+](C)C)nc2ccc([N+](=O)[O-])cc12 ZINC001157942449 1090154678 /nfs/dbraw/zinc/15/46/78/1090154678.db2.gz ZMSMWVBRKUVCCH-UHFFFAOYSA-N 1 0 316.405 3.451 20 5 DGBDRO Cc1cc(N(C(C)C)[C@@H]2CC[NH2+]C2)nc2ccc([N+](=O)[O-])cc12 ZINC001158023084 1090174718 /nfs/dbraw/zinc/17/47/18/1090174718.db2.gz RRVKZKWCPFDCFV-CQSZACIVSA-N 1 0 314.389 3.028 20 5 DGBDRO Cc1c(C)n(-c2cc([N+](=O)[O-])c(C)cn2)c2ccc(C[NH3+])cc12 ZINC001163761646 1090252046 /nfs/dbraw/zinc/25/20/46/1090252046.db2.gz RQZQVMALKNPWLI-UHFFFAOYSA-N 1 0 310.357 3.318 20 5 DGBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2ccc3ccc4cccnc4c3n2)C1 ZINC001164067995 1090333307 /nfs/dbraw/zinc/33/33/07/1090333307.db2.gz DVMGPYQTGRQTKL-BBRMVZONSA-N 1 0 306.413 3.347 20 5 DGBDRO C[C@@]1(C[NH3+])CCCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001164246836 1090385260 /nfs/dbraw/zinc/38/52/60/1090385260.db2.gz DMPWCPWRWGWOGK-QGZVFWFLSA-N 1 0 314.389 3.098 20 5 DGBDRO C[C@]1(C[NH3+])CCCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001164246833 1090385707 /nfs/dbraw/zinc/38/57/07/1090385707.db2.gz DMPWCPWRWGWOGK-KRWDZBQOSA-N 1 0 314.389 3.098 20 5 DGBDRO C[C@@]1(C[NH3+])CCCN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001164248616 1090386557 /nfs/dbraw/zinc/38/65/57/1090386557.db2.gz WCQAOKSSTOKXHE-QGZVFWFLSA-N 1 0 314.389 3.098 20 5 DGBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1ccc2ccc3cccnc3c2n1 ZINC001164460189 1090427000 /nfs/dbraw/zinc/42/70/00/1090427000.db2.gz AJARKPQGWYDKIE-KBPBESRZSA-N 1 0 306.413 3.347 20 5 DGBDRO CC[NH+]1CCC(N(C)c2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001165067714 1090459558 /nfs/dbraw/zinc/45/95/58/1090459558.db2.gz IGLDGDAKJTXTHD-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1ccc3ccc4cccnc4c3n1)C2 ZINC001165185154 1090476235 /nfs/dbraw/zinc/47/62/35/1090476235.db2.gz UMUCIUOFWZQMKP-JXFKEZNVSA-N 1 0 318.424 3.171 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001165278606 1090494806 /nfs/dbraw/zinc/49/48/06/1090494806.db2.gz IISMAJHCLSOBTE-GFCCVEGCSA-N 1 0 302.378 3.220 20 5 DGBDRO COc1cc(NCC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC001165290325 1090497891 /nfs/dbraw/zinc/49/78/91/1090497891.db2.gz SJOBBAPUVFOECM-ZDUSSCGKSA-N 1 0 307.394 3.056 20 5 DGBDRO COc1cc(NCC2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1C ZINC001166623548 1090631413 /nfs/dbraw/zinc/63/14/13/1090631413.db2.gz ORHXKABIUOKAAT-UHFFFAOYSA-N 1 0 321.421 3.444 20 5 DGBDRO CSC1CC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001205009037 1091082152 /nfs/dbraw/zinc/08/21/52/1091082152.db2.gz ZHMPEFJTLPFUKC-UHFFFAOYSA-N 1 0 300.811 3.274 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C(C)C)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001205790051 1091348983 /nfs/dbraw/zinc/34/89/83/1091348983.db2.gz ZHAQZCBHDTYWDL-UKRRQHHQSA-N 1 0 322.405 3.421 20 5 DGBDRO CC(C)(C)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC001161207159 1091797324 /nfs/dbraw/zinc/79/73/24/1091797324.db2.gz JAXIZIOATARCRC-UHFFFAOYSA-N 1 0 310.373 3.051 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(C)CC1(C)C ZINC001207357541 1091936045 /nfs/dbraw/zinc/93/60/45/1091936045.db2.gz OTHVRHCFDVJPJZ-PXAZEXFGSA-N 1 0 319.405 3.338 20 5 DGBDRO NC(=O)N1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC001141728558 1092324653 /nfs/dbraw/zinc/32/46/53/1092324653.db2.gz WSIMVXFELYTKHE-UHFFFAOYSA-N 1 0 319.408 3.189 20 5 DGBDRO OC[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1O ZINC001141723102 1092325057 /nfs/dbraw/zinc/32/50/57/1092325057.db2.gz OQPZJEKHTVJTIH-LAUBAEHRSA-N 1 0 321.420 3.168 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)C1 ZINC001168978426 1092458603 /nfs/dbraw/zinc/45/86/03/1092458603.db2.gz SBMVRIWAVMXROC-IUODEOHRSA-N 1 0 308.809 3.407 20 5 DGBDRO CC(C)Oc1ccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168978367 1092458832 /nfs/dbraw/zinc/45/88/32/1092458832.db2.gz RJJRGXKNGNBXIR-HZPDHXFCSA-N 1 0 306.406 3.051 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC001168984961 1092462651 /nfs/dbraw/zinc/46/26/51/1092462651.db2.gz BPOJZBZIEDXTAN-GWCFXTLKSA-N 1 0 300.761 3.057 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)C1 ZINC001168966955 1092468316 /nfs/dbraw/zinc/46/83/16/1092468316.db2.gz MKANFXNCVUGOTO-ONGXEEELSA-N 1 0 320.286 3.380 20 5 DGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965733 1092468898 /nfs/dbraw/zinc/46/88/98/1092468898.db2.gz CJZWZTVWTFGDFN-GWCFXTLKSA-N 1 0 307.781 3.371 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCSc2ccc(Cl)cc2)C1 ZINC001168967743 1092470751 /nfs/dbraw/zinc/47/07/51/1092470751.db2.gz SWZKWSJJFXAVHR-AAEUAGOBSA-N 1 0 314.838 3.467 20 5 DGBDRO COc1ccccc1CC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168991588 1092474460 /nfs/dbraw/zinc/47/44/60/1092474460.db2.gz HUBYWTVUNVNJNC-HOCLYGCPSA-N 1 0 318.417 3.195 20 5 DGBDRO Cc1ccc(CC2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168995154 1092476910 /nfs/dbraw/zinc/47/69/10/1092476910.db2.gz RWBIUODVAHUEEA-IAGOWNOFSA-N 1 0 302.418 3.353 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)C1 ZINC001168997701 1092478623 /nfs/dbraw/zinc/47/86/23/1092478623.db2.gz DXBZLZPIHWMXSW-HOCLYGCPSA-N 1 0 306.381 3.183 20 5 DGBDRO COCCC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998525 1092478692 /nfs/dbraw/zinc/47/86/92/1092478692.db2.gz ODMNEDWHRZYNMI-QWHCGFSZSA-N 1 0 320.380 3.006 20 5 DGBDRO [NH3+]CCc1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2cccc(Cl)c12 ZINC001169002681 1092480699 /nfs/dbraw/zinc/48/06/99/1092480699.db2.gz LVEBKOWAELBBOD-WCQYABFASA-N 1 0 321.808 3.414 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccnc2Cl)C2CC2)C1 ZINC001169006925 1092485340 /nfs/dbraw/zinc/48/53/40/1092485340.db2.gz ZSVDKYAJNXLVMS-SCDSUCTJSA-N 1 0 309.797 3.221 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001169006233 1092486179 /nfs/dbraw/zinc/48/61/79/1092486179.db2.gz GJAKCXYEPQXBAW-MSOLQXFVSA-N 1 0 302.418 3.387 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168988195 1092492291 /nfs/dbraw/zinc/49/22/91/1092492291.db2.gz OWIRZPSYGDRKHU-HIFRSBDPSA-N 1 0 314.385 3.383 20 5 DGBDRO COc1cccc([C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169040913 1092500256 /nfs/dbraw/zinc/50/02/56/1092500256.db2.gz ADNLMPNXSYMMJI-OIISXLGYSA-N 1 0 318.417 3.320 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001169038659 1092501310 /nfs/dbraw/zinc/50/13/10/1092501310.db2.gz JYSYMHWJRDXGBX-QWHCGFSZSA-N 1 0 300.358 3.236 20 5 DGBDRO Cc1ccc(OC2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169024377 1092505860 /nfs/dbraw/zinc/50/58/60/1092505860.db2.gz GVELALXCLANCAA-JKSUJKDBSA-N 1 0 318.417 3.284 20 5 DGBDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169026410 1092507682 /nfs/dbraw/zinc/50/76/82/1092507682.db2.gz LSNJTPCIPVKPPS-UNEWFSDZSA-N 1 0 304.390 3.278 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(COc3ccccc3)CC2)C1 ZINC001169026360 1092507898 /nfs/dbraw/zinc/50/78/98/1092507898.db2.gz LHZSGUYEQUJLBW-IAGOWNOFSA-N 1 0 318.417 3.223 20 5 DGBDRO CC[N@H+](CCc1ccc(OC)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046895 1092508308 /nfs/dbraw/zinc/50/83/08/1092508308.db2.gz OGAZVSKKDIDTAD-CVEARBPZSA-N 1 0 306.406 3.005 20 5 DGBDRO CC1(c2ccccc2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049636 1092509826 /nfs/dbraw/zinc/50/98/26/1092509826.db2.gz XCUHBXLAJMGTGM-RDJZCZTQSA-N 1 0 302.418 3.486 20 5 DGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)C1CC1 ZINC001142679632 1092527521 /nfs/dbraw/zinc/52/75/21/1092527521.db2.gz IXASCCVYNNLOFN-UHFFFAOYSA-N 1 0 321.380 3.305 20 5 DGBDRO Cc1c(F)cnc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169141040 1092556416 /nfs/dbraw/zinc/55/64/16/1092556416.db2.gz ILLNTNRYLRJWFH-ZBEGNZNMSA-N 1 0 324.400 3.393 20 5 DGBDRO Cc1cnc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001169141882 1092558378 /nfs/dbraw/zinc/55/83/78/1092558378.db2.gz DSMAKNBFBFOSMG-LRDDRELGSA-N 1 0 306.410 3.254 20 5 DGBDRO Cc1cnc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001169141884 1092559762 /nfs/dbraw/zinc/55/97/62/1092559762.db2.gz DSMAKNBFBFOSMG-MLGOLLRUSA-N 1 0 306.410 3.254 20 5 DGBDRO Cc1[nH+]c2ccc(F)cn2c1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209935264 1092987307 /nfs/dbraw/zinc/98/73/07/1092987307.db2.gz YRLABJCRJSDUPW-UHFFFAOYSA-N 1 0 301.281 3.016 20 5 DGBDRO Cc1ccc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001120071986 1094371111 /nfs/dbraw/zinc/37/11/11/1094371111.db2.gz CJQJLYHUMBJZQA-SOUVJXGZSA-N 1 0 303.406 3.070 20 5 DGBDRO Cc1cccc(-c2nnc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)o2)c1 ZINC001217733525 1094487041 /nfs/dbraw/zinc/48/70/41/1094487041.db2.gz PEPFUUMZUDPKQL-OAHLLOKOSA-N 1 0 324.340 3.196 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217943878 1094521878 /nfs/dbraw/zinc/52/18/78/1094521878.db2.gz BXKFJZFKHKXOBY-GXSJLCMTSA-N 1 0 322.258 3.083 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217947386 1094525452 /nfs/dbraw/zinc/52/54/52/1094525452.db2.gz RBQBJJKAGURVQC-KOLCDFICSA-N 1 0 302.733 3.026 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@@H]1CCCC[NH2+]C1 ZINC001217967719 1094533774 /nfs/dbraw/zinc/53/37/74/1094533774.db2.gz CPGGSRMPJBHCKK-SNVBAGLBSA-N 1 0 304.268 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217973976 1094537287 /nfs/dbraw/zinc/53/72/87/1094537287.db2.gz XTWACMIYVRQZDO-BXKDBHETSA-N 1 0 322.258 3.083 20 5 DGBDRO CC(C)(C)c1ccc(O[C@@H]2CC[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001218013490 1094559546 /nfs/dbraw/zinc/55/95/46/1094559546.db2.gz RPOKXRHNBJUXQP-TZMCWYRMSA-N 1 0 310.369 3.361 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[NH2+]CC[C@@H]1F ZINC001218013897 1094559934 /nfs/dbraw/zinc/55/99/34/1094559934.db2.gz DFWCUPUJPPRYRV-ONGXEEELSA-N 1 0 302.733 3.026 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001218025166 1094566249 /nfs/dbraw/zinc/56/62/49/1094566249.db2.gz REZDLHBLTQIHDV-BXKDBHETSA-N 1 0 318.295 3.381 20 5 DGBDRO Oc1c2ccccc2c(O[C@H]2C[NH2+]CCOC2)c2ccccc12 ZINC001218046411 1094575662 /nfs/dbraw/zinc/57/56/62/1094575662.db2.gz VULGBWVSNUUFIQ-ZDUSSCGKSA-N 1 0 309.365 3.066 20 5 DGBDRO C[C@@H]1C[C@@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218060438 1094580611 /nfs/dbraw/zinc/58/06/11/1094580611.db2.gz MMVDNDICLRHUQZ-APPZFPTMSA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@H]1C[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC001218062805 1094581082 /nfs/dbraw/zinc/58/10/82/1094581082.db2.gz WNVLQWXZWUTVBZ-GZMMTYOYSA-N 1 0 304.268 3.133 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3CC[NH2+]C[C@H]3F)cc2)cc1 ZINC001218064560 1094583039 /nfs/dbraw/zinc/58/30/39/1094583039.db2.gz MOFBVWHJYOTXNF-IAGOWNOFSA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3CC[NH2+]C[C@H]3F)cc2)c1 ZINC001218068661 1094585980 /nfs/dbraw/zinc/58/59/80/1094585980.db2.gz FNXIQHADAAOAPO-IAGOWNOFSA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218080423 1094590501 /nfs/dbraw/zinc/59/05/01/1094590501.db2.gz NRQOSZDRRONIFR-CYBMUJFWSA-N 1 0 314.744 3.298 20 5 DGBDRO c1ccc2c(c1)nc(OC[C@@H]1CO[C@@H]3C[NH2+]C[C@H]13)c1ccccc21 ZINC001218081953 1094592190 /nfs/dbraw/zinc/59/21/90/1094592190.db2.gz SFKJYCMMGXQCFO-BOFPYLFWSA-N 1 0 320.392 3.001 20 5 DGBDRO O=[N+]([O-])c1cccc2cc(O[C@@H]3CCC[C@]34CC[NH2+]C4)cnc21 ZINC001218090063 1094595120 /nfs/dbraw/zinc/59/51/20/1094595120.db2.gz AOUOJVDTVYVJBG-NVXWUHKLSA-N 1 0 313.357 3.054 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)c(Cl)cc1Cl ZINC001218247953 1094679611 /nfs/dbraw/zinc/67/96/11/1094679611.db2.gz RRHLYMMGNLUEJY-RNSXUZJQSA-N 1 0 317.172 3.421 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001218325774 1094716826 /nfs/dbraw/zinc/71/68/26/1094716826.db2.gz MYDATVVVCDFSKH-BMGDILEWSA-N 1 0 310.353 3.249 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@H]34)c2)c1 ZINC001218329761 1094720148 /nfs/dbraw/zinc/72/01/48/1094720148.db2.gz FYQJGSWLVDEVFN-FHLIZLRMSA-N 1 0 310.353 3.249 20 5 DGBDRO Oc1cccc2cc3cccc(O)c3c(O[C@@H]3C=CC[NH2+]C3)c12 ZINC001218334087 1094723007 /nfs/dbraw/zinc/72/30/07/1094723007.db2.gz LDKOQFUTFQNNCM-CQSZACIVSA-N 1 0 307.349 3.311 20 5 DGBDRO C[C@H]1CC[C@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C[NH2+]1 ZINC001218395539 1094749395 /nfs/dbraw/zinc/74/93/95/1094749395.db2.gz WMVSUBZVXXRQLZ-JSGCOSHPSA-N 1 0 309.365 3.466 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC23CC3)cc1C(F)(F)F ZINC001218398191 1094750807 /nfs/dbraw/zinc/75/08/07/1094750807.db2.gz CFDVXKZIYUCRPA-GFCCVEGCSA-N 1 0 316.279 3.135 20 5 DGBDRO C[C@H]1CC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC001218400048 1094751965 /nfs/dbraw/zinc/75/19/65/1094751965.db2.gz SSYQVBDLVUFLLF-JGVFFNPUSA-N 1 0 305.161 3.421 20 5 DGBDRO C[C@@H]1CC[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[NH2+]1 ZINC001218401833 1094753598 /nfs/dbraw/zinc/75/35/98/1094753598.db2.gz IJFBTGALYZIGFS-LDYMZIIASA-N 1 0 304.268 3.133 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001218420715 1094766322 /nfs/dbraw/zinc/76/63/22/1094766322.db2.gz UKRFZIWFXYAWEV-WRWORJQWSA-N 1 0 305.161 3.278 20 5 DGBDRO Cc1cc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])s1 ZINC001336874527 1094768363 /nfs/dbraw/zinc/76/83/63/1094768363.db2.gz UJRPCDHEQDZHOK-AVGNSLFASA-N 1 0 309.435 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC001218446811 1094779385 /nfs/dbraw/zinc/77/93/85/1094779385.db2.gz DAIRPSGCIKWJID-CQSZACIVSA-N 1 0 308.284 3.124 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001336931560 1094786673 /nfs/dbraw/zinc/78/66/73/1094786673.db2.gz SKBNXPSCABVFRU-GFCCVEGCSA-N 1 0 317.393 3.070 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218475079 1094798649 /nfs/dbraw/zinc/79/86/49/1094798649.db2.gz XWJKHZGAIYQICL-DNSOKLHBSA-N 1 0 317.172 3.278 20 5 DGBDRO Cc1cc2[nH]c(O[C@@H]3C[NH2+]Cc4ccccc43)nc2cc1[N+](=O)[O-] ZINC001218487292 1094815299 /nfs/dbraw/zinc/81/52/99/1094815299.db2.gz NRIVNNPUTPUQOZ-MRXNPFEDSA-N 1 0 324.340 3.003 20 5 DGBDRO O=[N+]([O-])c1cccc2cc(O[C@H]3C[NH2+]Cc4ccccc43)cnc21 ZINC001218488234 1094816148 /nfs/dbraw/zinc/81/61/48/1094816148.db2.gz KEXJBDONIHDVIO-KRWDZBQOSA-N 1 0 321.336 3.366 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)cc1Cl ZINC001218489315 1094816878 /nfs/dbraw/zinc/81/68/78/1094816878.db2.gz MQYFGZBDHQYIME-PNLAZUSQSA-N 1 0 303.145 3.031 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c(Cl)c1 ZINC001218490691 1094817296 /nfs/dbraw/zinc/81/72/96/1094817296.db2.gz WNQCQKRSVQNJOO-MQOMDTIOSA-N 1 0 303.145 3.031 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]Cc3ccccc32)cc1Cl ZINC001218490142 1094817849 /nfs/dbraw/zinc/81/78/49/1094817849.db2.gz XCHQVABZKMVEBW-HNNXBMFYSA-N 1 0 304.733 3.472 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)cc1 ZINC001218493880 1094823859 /nfs/dbraw/zinc/82/38/59/1094823859.db2.gz ALNURTQAUUVLMM-BJOOFOGMSA-N 1 0 310.353 3.391 20 5 DGBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+]1C ZINC001337340969 1094938808 /nfs/dbraw/zinc/93/88/08/1094938808.db2.gz ZGRWICNJBKQSLG-NWDGAFQWSA-N 1 0 300.362 3.038 20 5 DGBDRO CC[NH+](CC)CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001337477349 1094990200 /nfs/dbraw/zinc/99/02/00/1094990200.db2.gz POUGKJWWCLUAHD-NSHDSACASA-N 1 0 310.354 3.035 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC001115907969 1095417523 /nfs/dbraw/zinc/41/75/23/1095417523.db2.gz RPOALCSEDBEYJU-HUUCEWRRSA-N 1 0 304.390 3.486 20 5 DGBDRO Cc1cc(Cl)nc(-n2ccc3cccc(C[NH3+])c32)c1[N+](=O)[O-] ZINC001160457047 1095439243 /nfs/dbraw/zinc/43/92/43/1095439243.db2.gz YFOWXEAMGUUTOG-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO CC(C)(CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116484720 1095574609 /nfs/dbraw/zinc/57/46/09/1095574609.db2.gz GSEWCSYUPMTUIM-UHFFFAOYSA-N 1 0 324.764 3.369 20 5 DGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc([N+](=O)[O-])cn3)c2c1 ZINC001171165350 1095617256 /nfs/dbraw/zinc/61/72/56/1095617256.db2.gz MXALWUJLLZKHKR-GFCCVEGCSA-N 1 0 310.357 3.132 20 5 DGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc([N+](=O)[O-])c(C)cn3)c2c1 ZINC001171166077 1095619893 /nfs/dbraw/zinc/61/98/93/1095619893.db2.gz BLNSAFMNVHTTTO-CYBMUJFWSA-N 1 0 324.384 3.440 20 5 DGBDRO Cc1cccc(CO[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1[N+](=O)[O-] ZINC001223665137 1096032234 /nfs/dbraw/zinc/03/22/34/1096032234.db2.gz OIVUIHTZGQJSEA-XOIINTDNSA-N 1 0 304.390 3.150 20 5 DGBDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001171286874 1096113795 /nfs/dbraw/zinc/11/37/95/1096113795.db2.gz LXRNMMLSUNHXGK-UONOGXRCSA-N 1 0 322.405 3.397 20 5 DGBDRO CC(C)c1noc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001119002445 1096121729 /nfs/dbraw/zinc/12/17/29/1096121729.db2.gz OHDJBSASWSTHNR-JTQLQIEISA-N 1 0 322.340 3.134 20 5 DGBDRO CC(C)c1noc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001119002446 1096121884 /nfs/dbraw/zinc/12/18/84/1096121884.db2.gz OHDJBSASWSTHNR-SNVBAGLBSA-N 1 0 322.340 3.134 20 5 DGBDRO C[C@@H](OCCC[N+](C)(C)C)c1ncc(C(F)(F)F)cc1F ZINC001224620805 1096249038 /nfs/dbraw/zinc/24/90/38/1096249038.db2.gz FDQVVPWOPAEPNB-SNVBAGLBSA-N 1 0 309.327 3.413 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@H]1CCCC[NH2+]1 ZINC001171333040 1096397361 /nfs/dbraw/zinc/39/73/61/1096397361.db2.gz CMWGWTSDJOOECC-SNVBAGLBSA-N 1 0 303.284 3.168 20 5 DGBDRO CC(=O)c1cc(O[C@H](C)C[N+](C)(C)C)ccc1Br ZINC001225455462 1096437767 /nfs/dbraw/zinc/43/77/67/1096437767.db2.gz KHQQBQGANCMHMC-SNVBAGLBSA-N 1 0 315.231 3.125 20 5 DGBDRO Cc1c(OC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC001225689310 1096505053 /nfs/dbraw/zinc/50/50/53/1096505053.db2.gz FEXXFZDXLWVSCB-UHFFFAOYSA-N 1 0 313.357 3.346 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cccc([N+](=O)[O-])c1Cl ZINC001225789293 1096530025 /nfs/dbraw/zinc/53/00/25/1096530025.db2.gz RNRLECFWLNWBPR-QHBPRCKVSA-N 1 0 310.781 3.357 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Br)cc(F)c1F ZINC001225909380 1096561226 /nfs/dbraw/zinc/56/12/26/1096561226.db2.gz BSWPRIZFDBQHEV-MRVPVSSYSA-N 1 0 309.174 3.201 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001226266312 1096649693 /nfs/dbraw/zinc/64/96/93/1096649693.db2.gz RXEVXPOMRJZCLK-HNNXBMFYSA-N 1 0 316.332 3.387 20 5 DGBDRO CC(=O)c1ccc(OC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001226294578 1096655139 /nfs/dbraw/zinc/65/51/39/1096655139.db2.gz JZUGBYQLQXUYRJ-UHFFFAOYSA-N 1 0 320.389 3.439 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226303494 1096657204 /nfs/dbraw/zinc/65/72/04/1096657204.db2.gz QHSMHAKCUOIDAO-LLVKDONJSA-N 1 0 318.295 3.477 20 5 DGBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001226311763 1096659622 /nfs/dbraw/zinc/65/96/22/1096659622.db2.gz VWKGXGXNYNNRGF-UHFFFAOYSA-N 1 0 318.295 3.477 20 5 DGBDRO O=c1oc2cc(O[C@@H]3C[NH+]4CCC3CC4)ccc2c2ccccc21 ZINC001226515782 1096710158 /nfs/dbraw/zinc/71/01/58/1096710158.db2.gz VLNXBGROIIDHHJ-LJQANCHMSA-N 1 0 321.376 3.419 20 5 DGBDRO COc1cc2c(Cl)ccnc2cc1O[C@H](C)C[N+](C)(C)C ZINC001226783343 1096776211 /nfs/dbraw/zinc/77/62/11/1096776211.db2.gz IQMIGHNGBZPTMK-LLVKDONJSA-N 1 0 309.817 3.370 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc([N+](=O)[O-])ccc1Cl ZINC001226804429 1096782654 /nfs/dbraw/zinc/78/26/54/1096782654.db2.gz KDFIGZYIPSFIDI-QHBPRCKVSA-N 1 0 310.781 3.357 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2nc3ccc([N+](=O)[O-])cc3o2)CC1 ZINC001227232188 1096901457 /nfs/dbraw/zinc/90/14/57/1096901457.db2.gz NGSYPUNFORCJJU-UHFFFAOYSA-N 1 0 319.361 3.378 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1C(=O)Oc1ccccc1 ZINC001227415397 1096927623 /nfs/dbraw/zinc/92/76/23/1096927623.db2.gz IKOAPFFPXPXSRE-HNNXBMFYSA-N 1 0 314.405 3.379 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1C(=O)Nc1ccccc1 ZINC001228030330 1097035825 /nfs/dbraw/zinc/03/58/25/1097035825.db2.gz KFLKAWIMPHWOIP-HNNXBMFYSA-O 1 0 313.421 3.412 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)oc1ccccc1c2=O ZINC001228182125 1097069317 /nfs/dbraw/zinc/06/93/17/1097069317.db2.gz BHFDTYIXFASUGF-ZDUSSCGKSA-N 1 0 312.389 3.420 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ccccc2cc1Br ZINC001228295661 1097091574 /nfs/dbraw/zinc/09/15/74/1097091574.db2.gz LNPPFZBKDKMJES-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO CC[N@@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228930718 1097220049 /nfs/dbraw/zinc/22/00/49/1097220049.db2.gz OVBBBEAMLHTODL-SECBINFHSA-N 1 0 304.268 3.087 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1nccc2ccc([N+](=O)[O-])cc21 ZINC001229005424 1097235511 /nfs/dbraw/zinc/23/55/11/1097235511.db2.gz ICGARZNAOUNROZ-LBPRGKRZSA-N 1 0 303.362 3.252 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001229007418 1097235926 /nfs/dbraw/zinc/23/59/26/1097235926.db2.gz IFKKADLPMREJAY-CTYIDZIISA-N 1 0 315.373 3.395 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cncc(F)c1)CC2 ZINC001172900018 1097267438 /nfs/dbraw/zinc/26/74/38/1097267438.db2.gz RHBMJVNDKGPDIR-MRXNPFEDSA-N 1 0 315.348 3.166 20 5 DGBDRO CC(C)OCCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901103 1097268146 /nfs/dbraw/zinc/26/81/46/1097268146.db2.gz JSDJQPBVCQIXFU-INIZCTEOSA-N 1 0 306.406 3.247 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(F)n1)CC2 ZINC001172901595 1097268252 /nfs/dbraw/zinc/26/82/52/1097268252.db2.gz OLAIVNNONOMBFO-CQSZACIVSA-N 1 0 315.348 3.166 20 5 DGBDRO C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172905053 1097268963 /nfs/dbraw/zinc/26/89/63/1097268963.db2.gz QIOGERXBNWTCRA-CJNGLKHVSA-N 1 0 316.401 3.143 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccno1 ZINC001172907074 1097269233 /nfs/dbraw/zinc/26/92/33/1097269233.db2.gz CNNZOALBRUTLHL-FZMZJTMJSA-N 1 0 301.346 3.181 20 5 DGBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229200505 1097275467 /nfs/dbraw/zinc/27/54/67/1097275467.db2.gz HDYXGLYOCMSQKV-ATCWAGBWSA-N 1 0 308.353 3.151 20 5 DGBDRO CC1(C)C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172912460 1097277700 /nfs/dbraw/zinc/27/77/00/1097277700.db2.gz ARISYSNVWPAVAH-OAHLLOKOSA-N 1 0 316.401 3.143 20 5 DGBDRO CC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCOCC1 ZINC001172895597 1097278107 /nfs/dbraw/zinc/27/81/07/1097278107.db2.gz FZBIWBBNZPIGJL-OAHLLOKOSA-N 1 0 304.390 3.001 20 5 DGBDRO CO[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H](C)C1 ZINC001172913646 1097278236 /nfs/dbraw/zinc/27/82/36/1097278236.db2.gz SXPUSUFEESMAJZ-QANKJYHBSA-N 1 0 318.417 3.342 20 5 DGBDRO Cc1ncc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)s1 ZINC001172896321 1097278276 /nfs/dbraw/zinc/27/82/76/1097278276.db2.gz OANITDIZCCVMPK-CQSZACIVSA-N 1 0 317.414 3.397 20 5 DGBDRO CO[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@H](C)C1 ZINC001172913644 1097278448 /nfs/dbraw/zinc/27/84/48/1097278448.db2.gz SXPUSUFEESMAJZ-MZMPZRCHSA-N 1 0 318.417 3.342 20 5 DGBDRO COCC[N@H+](C(C)C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172916902 1097279332 /nfs/dbraw/zinc/27/93/32/1097279332.db2.gz URLWRMYDGKAZDU-MRXNPFEDSA-N 1 0 306.406 3.199 20 5 DGBDRO CO[C@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172916461 1097279339 /nfs/dbraw/zinc/27/93/39/1097279339.db2.gz RVRBWNFGRQFJTD-WMZOPIPTSA-N 1 0 318.417 3.343 20 5 DGBDRO CCOC1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172911772 1097292100 /nfs/dbraw/zinc/29/21/00/1097292100.db2.gz VLXUWLADLJBXSC-MRXNPFEDSA-N 1 0 318.417 3.343 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2cc([N+](=O)[O-])cc3cccnc32)CC1 ZINC001229343822 1097301440 /nfs/dbraw/zinc/30/14/40/1097301440.db2.gz IQXXDQRPYXMGFE-UHFFFAOYSA-N 1 0 315.373 3.395 20 5 DGBDRO O=[N+]([O-])c1cc2cccnc2c(OC2CC[NH+](C3CC3)CC2)c1 ZINC001229344214 1097301799 /nfs/dbraw/zinc/30/17/99/1097301799.db2.gz SMUFXWDFIUGUBT-UHFFFAOYSA-N 1 0 313.357 3.149 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H](F)C[C@H]2C)c1F ZINC001173178295 1097356000 /nfs/dbraw/zinc/35/60/00/1097356000.db2.gz AERZWZUFQUJCHI-GMTAPVOTSA-N 1 0 314.332 3.106 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1F ZINC001173184043 1097356728 /nfs/dbraw/zinc/35/67/28/1097356728.db2.gz LDWXADCHMOSILP-NWDGAFQWSA-N 1 0 310.369 3.405 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CCC2CC2)c1F ZINC001173194876 1097358769 /nfs/dbraw/zinc/35/87/69/1097358769.db2.gz ARAFRHQGCWLMET-NSHDSACASA-N 1 0 310.369 3.405 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC(C)(C)N(O)C1(C)C ZINC001173216507 1097367414 /nfs/dbraw/zinc/36/74/14/1097367414.db2.gz CCZJULOZCUSCBA-DOMZBBRYSA-N 1 0 321.421 3.136 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc2cc(C[NH3+])ccc2n1 ZINC001173215614 1097367431 /nfs/dbraw/zinc/36/74/31/1097367431.db2.gz XJIRPVGYGJDVFY-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])c1ccc(F)c(F)c1 ZINC001173215639 1097367435 /nfs/dbraw/zinc/36/74/35/1097367435.db2.gz XOIDCWGPNBKUMA-SNVBAGLBSA-N 1 0 319.311 3.419 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC(C)(C)N(O)C1(C)C ZINC001173216513 1097367507 /nfs/dbraw/zinc/36/75/07/1097367507.db2.gz CCZJULOZCUSCBA-WFASDCNBSA-N 1 0 321.421 3.136 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2c1OCO2 ZINC001173218537 1097369236 /nfs/dbraw/zinc/36/92/36/1097369236.db2.gz PWYAPESUDXZGMG-LBPRGKRZSA-N 1 0 314.341 3.044 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC001173218036 1097369353 /nfs/dbraw/zinc/36/93/53/1097369353.db2.gz AMLAOCSYRPGETQ-DZGCQCFKSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncn1C1CCC1 ZINC001173218123 1097369649 /nfs/dbraw/zinc/36/96/49/1097369649.db2.gz BGGDBJQCDMKOHQ-CYBMUJFWSA-N 1 0 314.389 3.237 20 5 DGBDRO CCC(CC)N1CC[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173219282 1097370701 /nfs/dbraw/zinc/37/07/01/1097370701.db2.gz AHNVCUXQTIGPSV-ZBFHGGJFSA-N 1 0 319.449 3.378 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001173225499 1097374851 /nfs/dbraw/zinc/37/48/51/1097374851.db2.gz COKBSJVSRUOFRF-QAPCUYQASA-N 1 0 317.433 3.086 20 5 DGBDRO CC[NH+](CC)C1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225535 1097374968 /nfs/dbraw/zinc/37/49/68/1097374968.db2.gz DMWHHPVCEMTRIN-OAHLLOKOSA-N 1 0 319.449 3.332 20 5 DGBDRO CCCCC[NH+]1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173226311 1097375067 /nfs/dbraw/zinc/37/50/67/1097375067.db2.gz IBVRYOAONBWTMU-INIZCTEOSA-N 1 0 319.449 3.334 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCCO2)CC1 ZINC001173228826 1097376152 /nfs/dbraw/zinc/37/61/52/1097376152.db2.gz ZCIXZDVWUXQRJX-CQSZACIVSA-N 1 0 304.390 3.171 20 5 DGBDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229844 1097376395 /nfs/dbraw/zinc/37/63/95/1097376395.db2.gz AVEIBWQUXKUADI-ZENOOKHLSA-N 1 0 322.405 3.045 20 5 DGBDRO CC(C)c1cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)on1 ZINC001173235307 1097378732 /nfs/dbraw/zinc/37/87/32/1097378732.db2.gz SFMWESVAQNANTP-GFCCVEGCSA-N 1 0 303.362 3.427 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])nc2Cl)CC1 ZINC001229920402 1097412366 /nfs/dbraw/zinc/41/23/66/1097412366.db2.gz SKZUQYOOCJHCRB-UHFFFAOYSA-N 1 0 313.785 3.285 20 5 DGBDRO CC(=O)c1ccc(C(F)(F)F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001229924620 1097413538 /nfs/dbraw/zinc/41/35/38/1097413538.db2.gz VACCCHXIDCXTNL-JTQLQIEISA-N 1 0 304.332 3.382 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)ccc1Cc1ccccc1 ZINC001231192072 1097692595 /nfs/dbraw/zinc/69/25/95/1097692595.db2.gz RIYYNYXGDAFZDS-OAHLLOKOSA-O 1 0 300.422 3.457 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCC[C@H]1O ZINC001232218710 1097970652 /nfs/dbraw/zinc/97/06/52/1097970652.db2.gz KGCHKCSYLRHEQZ-RDTXWAMCSA-N 1 0 321.424 3.376 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@]4(CCOC4)C3)nc12 ZINC001232219038 1097971430 /nfs/dbraw/zinc/97/14/30/1097971430.db2.gz PKZPVFFXMYRGPD-FQEVSTJZSA-N 1 0 319.408 3.395 20 5 DGBDRO COC[C@H]1CCC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219102 1097971505 /nfs/dbraw/zinc/97/15/05/1097971505.db2.gz RAMWDXBCSNSERU-QGZVFWFLSA-N 1 0 307.397 3.394 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@@H]4OCC[C@H]4C3)nc12 ZINC001232225046 1097972970 /nfs/dbraw/zinc/97/29/70/1097972970.db2.gz MDZFWXPVXRREIG-WMZOPIPTSA-N 1 0 319.408 3.394 20 5 DGBDRO COc1ccc(Nc2c(C)[nH+]c3ccc(F)cn32)cc1[N+](=O)[O-] ZINC001176364524 1098333717 /nfs/dbraw/zinc/33/37/17/1098333717.db2.gz ZQBWVGCZOZLUED-UHFFFAOYSA-N 1 0 316.292 3.442 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cc(Br)cnc2c1 ZINC001233642704 1098395730 /nfs/dbraw/zinc/39/57/30/1098395730.db2.gz OMSPEOMTIOWXDQ-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233837113 1098440490 /nfs/dbraw/zinc/44/04/90/1098440490.db2.gz UIRGDVDXPCZTCQ-CQSZACIVSA-N 1 0 315.373 3.395 20 5 DGBDRO COc1ccc(Br)c(F)c1O[C@H](C)C[N+](C)(C)C ZINC001234292999 1098529979 /nfs/dbraw/zinc/52/99/79/1098529979.db2.gz JVRWNDQYGCKQPU-SECBINFHSA-N 1 0 321.210 3.070 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)N1CCC(C)CC1 ZINC001177548804 1098554728 /nfs/dbraw/zinc/55/47/28/1098554728.db2.gz SEZNJOXZBYMBPK-OAHLLOKOSA-N 1 0 319.449 3.422 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(OC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001234881282 1098696450 /nfs/dbraw/zinc/69/64/50/1098696450.db2.gz NSWLOYROYUVXLN-UHFFFAOYSA-N 1 0 323.393 3.029 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2CN1CCO[C@H]2C[NH2+]C[C@H]21 ZINC001235216401 1098887653 /nfs/dbraw/zinc/88/76/53/1098887653.db2.gz WVUPIYBQCVITGC-RTWAWAEBSA-N 1 0 318.420 3.166 20 5 DGBDRO C[C@H](C[NH2+]Cc1cccc2c1OCC2)c1ccccc1[N+](=O)[O-] ZINC001179685255 1099163588 /nfs/dbraw/zinc/16/35/88/1099163588.db2.gz IHRDNVIHEWAIBJ-CYBMUJFWSA-N 1 0 312.369 3.423 20 5 DGBDRO Cc1nnc([C@@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC001180674098 1099488948 /nfs/dbraw/zinc/48/89/48/1099488948.db2.gz SGHBSQWOXDLEKC-WDEREUQCSA-N 1 0 320.418 3.427 20 5 DGBDRO CCOc1cc(N2CC[N@H+](C)C[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC001187708945 1099581688 /nfs/dbraw/zinc/58/16/88/1099581688.db2.gz NTFBXLUGCFMEKY-OAHLLOKOSA-N 1 0 321.421 3.160 20 5 DGBDRO O=[N+]([O-])c1sccc1N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001187931586 1099637603 /nfs/dbraw/zinc/63/76/03/1099637603.db2.gz KJZYGENIFIIMNW-GFCCVEGCSA-N 1 0 323.805 3.461 20 5 DGBDRO CC1(C)C[C@H]([N@H+](CC[N+](=O)[O-])Cc2ccccc2)C(C)(C)O1 ZINC001192832332 1100666931 /nfs/dbraw/zinc/66/69/31/1100666931.db2.gz GZQFFZMQVKMCTJ-HNNXBMFYSA-N 1 0 306.406 3.111 20 5 DGBDRO C[N@@H+]1C[C@@]2(C)CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC001196632663 1101355097 /nfs/dbraw/zinc/35/50/97/1101355097.db2.gz WAJDTDAHVQNTTI-IYBDPMFKSA-N 1 0 323.824 3.022 20 5 DGBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001325873067 1103143542 /nfs/dbraw/zinc/14/35/42/1103143542.db2.gz KJJGYGCAFOPNBF-OAHLLOKOSA-N 1 0 312.797 3.089 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+](CC2CCC(O)CC2)C2CC2)c1 ZINC001327546957 1103678935 /nfs/dbraw/zinc/67/89/35/1103678935.db2.gz OSKMTZRSXJSBSR-UHFFFAOYSA-N 1 0 304.390 3.110 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCCC1(C)C ZINC001202789684 1103680794 /nfs/dbraw/zinc/68/07/94/1103680794.db2.gz STYBMFNZBUVQFZ-QINSGFPZSA-N 1 0 317.433 3.462 20 5 DGBDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC001329744923 1104376983 /nfs/dbraw/zinc/37/69/83/1104376983.db2.gz GQPKYDNXTRDXQX-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001330288652 1104530532 /nfs/dbraw/zinc/53/05/32/1104530532.db2.gz FVVVFWKRULBIFA-LSDHHAIUSA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615879 1104630085 /nfs/dbraw/zinc/63/00/85/1104630085.db2.gz UCXFCPHMNFCDTJ-YJBOKZPZSA-N 1 0 317.433 3.134 20 5 DGBDRO CCCC1CCC([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001307742663 1104719092 /nfs/dbraw/zinc/71/90/92/1104719092.db2.gz RMXFXVQCQMZXEJ-UHFFFAOYSA-N 1 0 308.426 3.390 20 5 DGBDRO COc1ccc2[nH+]c(N)n(-c3ccc([N+](=O)[O-])cc3Cl)c2c1 ZINC001248594689 1105134361 /nfs/dbraw/zinc/13/43/61/1105134361.db2.gz PRNZPQMHNRGOSD-UHFFFAOYSA-N 1 0 318.720 3.178 20 5 DGBDRO Cc1ccc2[nH+]c(N)n(-c3ccc([N+](=O)[O-])cc3Cl)c2c1 ZINC001248594907 1105134384 /nfs/dbraw/zinc/13/43/84/1105134384.db2.gz YNUDDWNZMURKFV-UHFFFAOYSA-N 1 0 302.721 3.478 20 5 DGBDRO [NH3+]CCNCc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001249266087 1105260174 /nfs/dbraw/zinc/26/01/74/1105260174.db2.gz AYVKNRDLYLWDSJ-UHFFFAOYSA-N 1 0 318.380 3.091 20 5 DGBDRO C[NH+](C)Cc1ccc2[nH]c(Cc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC001250607037 1105546377 /nfs/dbraw/zinc/54/63/77/1105546377.db2.gz QRTVKMHMRRQNCO-UHFFFAOYSA-N 1 0 310.357 3.124 20 5 DGBDRO C[C@@]1(CF)CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254474680 1106077971 /nfs/dbraw/zinc/07/79/71/1106077971.db2.gz SPLBWDJDYXLOPQ-KRWDZBQOSA-N 1 0 321.396 3.245 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3C[C@H]4CCC[C@@H]4C3)CC2)cc1 ZINC001254475201 1106078144 /nfs/dbraw/zinc/07/81/44/1106078144.db2.gz BUASSJCZPUWVRM-HUUCEWRRSA-N 1 0 315.417 3.296 20 5 DGBDRO CC1CC([N@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254474368 1106078356 /nfs/dbraw/zinc/07/83/56/1106078356.db2.gz OLEQKIHIMBCCAV-UHFFFAOYSA-N 1 0 303.406 3.294 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(O)c1 ZINC001254535447 1106098122 /nfs/dbraw/zinc/09/81/22/1106098122.db2.gz JYLQQZZOTDUJOY-CYBMUJFWSA-N 1 0 300.358 3.064 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2cn(C)nc21 ZINC001254538214 1106098363 /nfs/dbraw/zinc/09/83/63/1106098363.db2.gz RKQHEGGUVGOHNC-ZDUSSCGKSA-N 1 0 324.384 3.202 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1ncc2cccc(C[NH3+])c21 ZINC001254539949 1106098922 /nfs/dbraw/zinc/09/89/22/1106098922.db2.gz MXDNYZRTRUXAIJ-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO Cc1ccc(F)c(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254539960 1106099052 /nfs/dbraw/zinc/09/90/52/1106099052.db2.gz NDSSYIGSTNAMGE-LBPRGKRZSA-N 1 0 303.337 3.158 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2ncoc2c1 ZINC001254542877 1106099550 /nfs/dbraw/zinc/09/95/50/1106099550.db2.gz PMJZEFJESOVWKS-LBPRGKRZSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCCCCCO ZINC001254545253 1106100286 /nfs/dbraw/zinc/10/02/86/1106100286.db2.gz BXHRIWWENVDNKA-OAHLLOKOSA-N 1 0 308.422 3.448 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(O)c1 ZINC001254551803 1106101237 /nfs/dbraw/zinc/10/12/37/1106101237.db2.gz FXJSQLQPZBRNQZ-CYBMUJFWSA-N 1 0 300.358 3.363 20 5 DGBDRO Cc1nc2ccccn2c1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254551107 1106101313 /nfs/dbraw/zinc/10/13/13/1106101313.db2.gz YAPZRCJJDWQPAH-CYBMUJFWSA-N 1 0 324.384 3.272 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(O)[C@@H](C)C1 ZINC001254552808 1106102406 /nfs/dbraw/zinc/10/24/06/1106102406.db2.gz PMLYCTPIEFEGQG-VBQJREDUSA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001254563069 1106104098 /nfs/dbraw/zinc/10/40/98/1106104098.db2.gz SPVQMIWGNYJMRU-PBHICJAKSA-N 1 0 311.385 3.410 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC([N@H+](C)C2CC2)CC1 ZINC001254563876 1106104285 /nfs/dbraw/zinc/10/42/85/1106104285.db2.gz FTJUJHYQCIJELB-CQSZACIVSA-N 1 0 317.433 3.084 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001254562618 1106104436 /nfs/dbraw/zinc/10/44/36/1106104436.db2.gz ODXAFRCICYBSHR-WMLDXEAASA-N 1 0 311.385 3.410 20 5 DGBDRO C[C@H]([NH3+])c1nc2ccccc2n1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566269 1106104868 /nfs/dbraw/zinc/10/48/68/1106104868.db2.gz JCVMSONKXNFRTR-XHDPSFHLSA-N 1 0 322.368 3.304 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC001254566108 1106104967 /nfs/dbraw/zinc/10/49/67/1106104967.db2.gz HVKDJJNNFDPWBX-ZDUSSCGKSA-N 1 0 304.296 3.130 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)C2 ZINC001254572606 1106106668 /nfs/dbraw/zinc/10/66/68/1106106668.db2.gz QZUIUKOVCQINNH-GFCCVEGCSA-N 1 0 322.286 3.269 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCc3cccnc31)C2 ZINC001254575348 1106106790 /nfs/dbraw/zinc/10/67/90/1106106790.db2.gz PUSAFUZSDWPBCX-DOTOQJQBSA-N 1 0 309.369 3.124 20 5 DGBDRO [NH3+]CC[C@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc21 ZINC001254574777 1106106896 /nfs/dbraw/zinc/10/68/96/1106106896.db2.gz KYLCFNSILWQRDL-YOEHRIQHSA-N 1 0 323.396 3.015 20 5 DGBDRO C[C@H](C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(O)cc1 ZINC001254577171 1106107594 /nfs/dbraw/zinc/10/75/94/1106107594.db2.gz CCYKFQRTDYXFCB-WBMJQRKESA-N 1 0 312.369 3.161 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(O)cc1 ZINC001254577169 1106107658 /nfs/dbraw/zinc/10/76/58/1106107658.db2.gz CCYKFQRTDYXFCB-LRDDRELGSA-N 1 0 312.369 3.161 20 5 DGBDRO CC(C)[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254576335 1106107702 /nfs/dbraw/zinc/10/77/02/1106107702.db2.gz VOQSRVLUXHAAFZ-WMZOPIPTSA-N 1 0 311.385 3.444 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccc(F)cc1)C2 ZINC001254579618 1106107735 /nfs/dbraw/zinc/10/77/35/1106107735.db2.gz UMKWBDYJAVSYAK-RYQLBKOJSA-N 1 0 312.344 3.347 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCOC1CCCCC1)C2 ZINC001254580240 1106108267 /nfs/dbraw/zinc/10/82/67/1106108267.db2.gz CSIWZYFQMXXERG-HNNXBMFYSA-N 1 0 304.390 3.001 20 5 DGBDRO CC(C)c1ncc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)s1 ZINC001254582443 1106108556 /nfs/dbraw/zinc/10/85/56/1106108556.db2.gz UPYVOQFRKHWQOK-CYBMUJFWSA-N 1 0 317.414 3.432 20 5 DGBDRO Cc1cccc(C2(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254587979 1106109102 /nfs/dbraw/zinc/10/91/02/1106109102.db2.gz UCSNLVIVLSPFGE-MRXNPFEDSA-N 1 0 323.396 3.087 20 5 DGBDRO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586329 1106109188 /nfs/dbraw/zinc/10/91/88/1106109188.db2.gz QKNAACKDPYHNGT-KXBFYZLASA-N 1 0 324.380 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(Cc3ccc(O)cc3)CC1)C2 ZINC001254587742 1106109243 /nfs/dbraw/zinc/10/92/43/1106109243.db2.gz AWCZQTYKBCRGDT-INIZCTEOSA-N 1 0 324.380 3.133 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCc3cnccc31)C2 ZINC001254590402 1106110066 /nfs/dbraw/zinc/11/00/66/1106110066.db2.gz WRBUEWVAJZVBOW-YJBOKZPZSA-N 1 0 309.369 3.124 20 5 DGBDRO CC(C)(CC1CCOCC1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254590154 1106110100 /nfs/dbraw/zinc/11/01/00/1106110100.db2.gz VEBARZJGMSIWPQ-MRXNPFEDSA-N 1 0 318.417 3.247 20 5 DGBDRO C[N@H+](Cc1ccc(F)cc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597305 1106110497 /nfs/dbraw/zinc/11/04/97/1106110497.db2.gz HBCBMTGQVFUBOQ-QGZVFWFLSA-N 1 0 300.333 3.333 20 5 DGBDRO C[N@H+](Cc1ccc(Cl)nc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602843 1106111764 /nfs/dbraw/zinc/11/17/64/1106111764.db2.gz JFLKFNMQPJCJMU-HNNXBMFYSA-N 1 0 317.776 3.242 20 5 DGBDRO COc1ccc2c(c1)C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254600840 1106111838 /nfs/dbraw/zinc/11/18/38/1106111838.db2.gz VVJSDFIPTUVVQZ-GOSISDBHSA-N 1 0 324.380 3.129 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H]1c1nccs1)C2 ZINC001254604898 1106112569 /nfs/dbraw/zinc/11/25/69/1106112569.db2.gz YFMFRGZLMOFICN-LSDHHAIUSA-N 1 0 315.398 3.356 20 5 DGBDRO COc1cccc2c1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254609307 1106112646 /nfs/dbraw/zinc/11/26/46/1106112646.db2.gz VFUVHOCTOYIKEB-MRXNPFEDSA-N 1 0 310.353 3.086 20 5 DGBDRO C[N@H+](CCc1ccccc1F)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612108 1106113135 /nfs/dbraw/zinc/11/31/35/1106113135.db2.gz VEAZVUAMIBEXMN-KRWDZBQOSA-N 1 0 314.360 3.376 20 5 DGBDRO CCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256082802 1106367236 /nfs/dbraw/zinc/36/72/36/1106367236.db2.gz MDIABGFBWICGPY-UHFFFAOYSA-N 1 0 321.421 3.352 20 5 DGBDRO COc1ccc(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC001322159158 1107547078 /nfs/dbraw/zinc/54/70/78/1107547078.db2.gz PSPICECDFCBDLB-OLZOCXBDSA-N 1 0 310.419 3.319 20 5 DGBDRO COc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC001262371791 1107701381 /nfs/dbraw/zinc/70/13/81/1107701381.db2.gz WKQDPEHOJTXXKG-UHFFFAOYSA-N 1 0 315.329 3.010 20 5 DGBDRO Cc1cc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC001262376767 1107705222 /nfs/dbraw/zinc/70/52/22/1107705222.db2.gz BGQZYCKMVYCKPF-BFHYXJOUSA-N 1 0 321.396 3.209 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N(C)C)cccc1[N+](=O)[O-] ZINC001319392919 1108444879 /nfs/dbraw/zinc/44/48/79/1108444879.db2.gz GPMYPXMGGPQYIQ-YSVLISHTSA-N 1 0 305.422 3.427 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1nc(C(C)C)no1 ZINC001319784187 1108634269 /nfs/dbraw/zinc/63/42/69/1108634269.db2.gz MLMISFPBDQCGTC-GFCCVEGCSA-N 1 0 318.377 3.303 20 5 DGBDRO O=[N+]([O-])c1c(NCc2ccc3c[nH+]cn3c2)ccc2ncccc21 ZINC001307137732 1111270040 /nfs/dbraw/zinc/27/00/40/1111270040.db2.gz GZSOKFIYDSFOHK-UHFFFAOYSA-N 1 0 319.324 3.403 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001307144840 1111271132 /nfs/dbraw/zinc/27/11/32/1111271132.db2.gz GQDOAJNYHUJZPM-APWZRJJASA-N 1 0 323.396 3.306 20 5 DGBDRO CCC[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC001307195086 1111277450 /nfs/dbraw/zinc/27/74/50/1111277450.db2.gz GDBVSLCDZANAIS-VIFPVBQESA-N 1 0 318.204 3.480 20 5 DGBDRO Nc1cc(CCCCNc2c(F)cc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC001307217416 1111280282 /nfs/dbraw/zinc/28/02/82/1111280282.db2.gz LIRBMFIMBLMKFF-UHFFFAOYSA-N 1 0 322.315 3.285 20 5 DGBDRO CC1CC[NH+](CCSCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001307375780 1111293670 /nfs/dbraw/zinc/29/36/70/1111293670.db2.gz ANVSQAOIBYJPQM-UHFFFAOYSA-N 1 0 324.446 3.439 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001307743280 1111334155 /nfs/dbraw/zinc/33/41/55/1111334155.db2.gz DAECFWJYFBTQGP-JKSUJKDBSA-N 1 0 322.405 3.157 20 5 DGBDRO CC(C)O[C@H]1C[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001307779342 1111338858 /nfs/dbraw/zinc/33/88/58/1111338858.db2.gz SOOABSCDUJZJCG-HOTGVXAUSA-N 1 0 322.405 3.155 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC001307884719 1111351354 /nfs/dbraw/zinc/35/13/54/1111351354.db2.gz IYWWWNJFLKSJBP-HNNXBMFYSA-N 1 0 306.410 3.144 20 5 DGBDRO CC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC001307908521 1111353952 /nfs/dbraw/zinc/35/39/52/1111353952.db2.gz QMQFDEWZDDLTRF-GOEBONIOSA-N 1 0 322.405 3.253 20 5 DGBDRO CC[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC001307908522 1111354434 /nfs/dbraw/zinc/35/44/34/1111354434.db2.gz QMQFDEWZDDLTRF-HOCLYGCPSA-N 1 0 322.405 3.253 20 5 DGBDRO Cc1ccccc1[C@H](CO)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC001308078099 1111374640 /nfs/dbraw/zinc/37/46/40/1111374640.db2.gz JKZYBNZXTARZGM-SFHVURJKSA-N 1 0 314.385 3.111 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@]23CCCOC3)cc1 ZINC001308170814 1111390457 /nfs/dbraw/zinc/39/04/57/1111390457.db2.gz NNPLOVRTNYWNJU-QGZVFWFLSA-N 1 0 320.389 3.009 20 5 DGBDRO Cc1n[nH]c(C)c1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001308296049 1111412998 /nfs/dbraw/zinc/41/29/98/1111412998.db2.gz RIXVMCCXIIWTMF-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001308462583 1111431239 /nfs/dbraw/zinc/43/12/39/1111431239.db2.gz LYWANLLBLOUJEO-CQSZACIVSA-N 1 0 305.422 3.174 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC2C(C)(C)C2(C)C)c1[N+](=O)[O-] ZINC001308714898 1111465122 /nfs/dbraw/zinc/46/51/22/1111465122.db2.gz RVIYWUAARKCJQR-UHFFFAOYSA-N 1 0 308.378 3.081 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC(C)(C)C2CCC2)c1[N+](=O)[O-] ZINC001308769086 1111472723 /nfs/dbraw/zinc/47/27/23/1111472723.db2.gz DVCYTSIUMDEODP-UHFFFAOYSA-N 1 0 308.378 3.225 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCc4ccccc4C3)nc2c1 ZINC000278689446 214329261 /nfs/dbraw/zinc/32/92/61/214329261.db2.gz MQSGIFVCZXUTNS-AWEZNQCLSA-N 1 0 322.368 3.118 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000315597203 231141636 /nfs/dbraw/zinc/14/16/36/231141636.db2.gz HEZPXYUEOZGHTJ-SRMUXQRQSA-N 1 0 304.390 3.449 20 5 DGBDRO C[NH+](C)C1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CCC1 ZINC000318007931 231166330 /nfs/dbraw/zinc/16/63/30/231166330.db2.gz MJNAJZVQJXEUEC-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO Cc1cnc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000316866475 231154835 /nfs/dbraw/zinc/15/48/35/231154835.db2.gz KERYQHLDSVPYHF-BLLLJJGKSA-N 1 0 306.410 3.221 20 5 DGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447561539 529421157 /nfs/dbraw/zinc/42/11/57/529421157.db2.gz IJZBDKAUNXCDHK-SUYBPPKGSA-N 1 0 306.406 3.359 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc21 ZINC000322585931 231211667 /nfs/dbraw/zinc/21/16/67/231211667.db2.gz ITQOFOYGHXCUDL-QWHCGFSZSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc2ncccc21 ZINC000322601474 231212421 /nfs/dbraw/zinc/21/24/21/231212421.db2.gz MIALBWWRIDGIBO-STQMWFEESA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1nccn1CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429237424 282206281 /nfs/dbraw/zinc/20/62/81/282206281.db2.gz PBAUDQKXZGMWQQ-UHFFFAOYSA-N 1 0 302.378 3.015 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCCOC2CCOCC2)cc1[N+](=O)[O-] ZINC000090082643 185280837 /nfs/dbraw/zinc/28/08/37/185280837.db2.gz QNUDGOGINBPFQU-CQSZACIVSA-N 1 0 322.405 3.140 20 5 DGBDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090085170 185281227 /nfs/dbraw/zinc/28/12/27/185281227.db2.gz CHNRTRDFTXVIFB-BBRMVZONSA-N 1 0 320.433 3.303 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(n2ccnc2)CC1 ZINC000092648439 185331414 /nfs/dbraw/zinc/33/14/14/185331414.db2.gz YQEOMGGBXUGUON-HWKANZROSA-N 1 0 312.373 3.142 20 5 DGBDRO CCC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000181659323 199334191 /nfs/dbraw/zinc/33/41/91/199334191.db2.gz GYLKKZPNTPIGPE-CQSZACIVSA-N 1 0 324.331 3.201 20 5 DGBDRO C[NH2+]C[C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420214433 530000235 /nfs/dbraw/zinc/00/02/35/530000235.db2.gz VNGVFTLFYLRSKB-QMMMGPOBSA-N 1 0 305.300 3.189 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)CC1(C)C ZINC000331020631 232357075 /nfs/dbraw/zinc/35/70/75/232357075.db2.gz XTSKYGRETPKGJX-GFCCVEGCSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000130197948 432017856 /nfs/dbraw/zinc/01/78/56/432017856.db2.gz UICUPVNBJFJJOL-UHFFFAOYSA-N 1 0 319.405 3.212 20 5 DGBDRO COCCC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272644879 210047349 /nfs/dbraw/zinc/04/73/49/210047349.db2.gz OVKSJNGHPSVXBL-LLVKDONJSA-N 1 0 300.786 3.195 20 5 DGBDRO C[N@@H+]1CCC[C@H]1CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130307687 432020086 /nfs/dbraw/zinc/02/00/86/432020086.db2.gz QGJXYQFLICQJAN-HNNXBMFYSA-N 1 0 303.406 3.044 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCCC[C@H]1O ZINC000286956792 219244104 /nfs/dbraw/zinc/24/41/04/219244104.db2.gz HPZVTKZQVPFHRC-FRFSOERESA-N 1 0 306.406 3.199 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CCC1 ZINC000279811388 215165849 /nfs/dbraw/zinc/16/58/49/215165849.db2.gz ONPQVESVJIDKTE-CJNGLKHVSA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCCC1 ZINC000150322197 186056898 /nfs/dbraw/zinc/05/68/98/186056898.db2.gz LGLWBOXLHSDPIB-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000280014667 215313017 /nfs/dbraw/zinc/31/30/17/215313017.db2.gz GWWXUKXQTISNPI-IUODEOHRSA-N 1 0 314.389 3.365 20 5 DGBDRO CCOc1ccc([C@H](C)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000152513129 186080885 /nfs/dbraw/zinc/08/08/85/186080885.db2.gz AWXBNBHLLUTLKU-ZDUSSCGKSA-N 1 0 323.437 3.232 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000152622055 186090657 /nfs/dbraw/zinc/09/06/57/186090657.db2.gz DCQLHJHJGMOKDA-UKRRQHHQSA-N 1 0 322.405 3.117 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC1(C)C ZINC000191842516 186262571 /nfs/dbraw/zinc/26/25/71/186262571.db2.gz RAVYFYXJPBDRNG-AWEZNQCLSA-N 1 0 305.378 3.010 20 5 DGBDRO CC1(C)CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000191854019 186265008 /nfs/dbraw/zinc/26/50/08/186265008.db2.gz YRXJSQOIWHATIT-CQSZACIVSA-N 1 0 323.368 3.231 20 5 DGBDRO COC(C)(C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130507599 432026894 /nfs/dbraw/zinc/02/68/94/432026894.db2.gz MQLSHQZLDRBRSO-ZFWWWQNUSA-N 1 0 306.406 3.321 20 5 DGBDRO CCOC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172180691 198053891 /nfs/dbraw/zinc/05/38/91/198053891.db2.gz SWLPXZVMTITTQI-GFCCVEGCSA-N 1 0 312.797 3.497 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000072561073 191194166 /nfs/dbraw/zinc/19/41/66/191194166.db2.gz ZFZXFVOYNWCKLH-GFCCVEGCSA-N 1 0 317.389 3.105 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277161871 213336525 /nfs/dbraw/zinc/33/65/25/213336525.db2.gz KFTCRDBLZFQTHG-GJZGRUSLSA-N 1 0 305.422 3.380 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@H](C)c2ccco2)c([N+](=O)[O-])c1 ZINC000173583521 198229712 /nfs/dbraw/zinc/22/97/12/198229712.db2.gz PKRKADLHTIGERS-GFCCVEGCSA-N 1 0 320.345 3.268 20 5 DGBDRO COCCCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174240979 198308796 /nfs/dbraw/zinc/30/87/96/198308796.db2.gz UMAOLLRFTXPKEB-UHFFFAOYSA-N 1 0 322.405 3.255 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277025793 213249022 /nfs/dbraw/zinc/24/90/22/213249022.db2.gz AUROWDHZOOUSDJ-ZDUSSCGKSA-N 1 0 311.813 3.164 20 5 DGBDRO CCOc1cc(C[N@H+](C)CCc2nccs2)ccc1[N+](=O)[O-] ZINC000276987951 213222181 /nfs/dbraw/zinc/22/21/81/213222181.db2.gz ZPFSMEBDCRJKOF-UHFFFAOYSA-N 1 0 321.402 3.125 20 5 DGBDRO CCC(CC)(C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179167404 432047239 /nfs/dbraw/zinc/04/72/39/432047239.db2.gz KHFDLSJDUBWRFF-UHFFFAOYSA-N 1 0 321.402 3.057 20 5 DGBDRO Cc1ccc([C@@H](C)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000236821723 202027295 /nfs/dbraw/zinc/02/72/95/202027295.db2.gz XNBPJUBCXRMBBJ-CQSZACIVSA-N 1 0 305.422 3.427 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000132901264 432055148 /nfs/dbraw/zinc/05/51/48/432055148.db2.gz PMGJZABTRKUKAO-GFCCVEGCSA-N 1 0 323.393 3.079 20 5 DGBDRO COC[C@@H](C)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179370558 432055890 /nfs/dbraw/zinc/05/58/90/432055890.db2.gz AWRZRKBNUFSONR-GFCCVEGCSA-N 1 0 304.346 3.322 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081568997 192293084 /nfs/dbraw/zinc/29/30/84/192293084.db2.gz NZNKRMGOIRMGCF-OAHLLOKOSA-N 1 0 305.422 3.067 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@H+](C)C1CCCC1 ZINC000133252544 432059039 /nfs/dbraw/zinc/05/90/39/432059039.db2.gz NHODLBRMHJLCNX-AWEZNQCLSA-N 1 0 305.422 3.428 20 5 DGBDRO CCC[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000166271284 432059733 /nfs/dbraw/zinc/05/97/33/432059733.db2.gz LGDHWFDOKRFMSL-IAGOWNOFSA-N 1 0 305.422 3.366 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000134079295 432073190 /nfs/dbraw/zinc/07/31/90/432073190.db2.gz YBYHQTPKIQJOPU-UHFFFAOYSA-N 1 0 300.333 3.335 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)CCO)cc1[N+](=O)[O-] ZINC000179430125 199033315 /nfs/dbraw/zinc/03/33/15/199033315.db2.gz XAAXOJKEIZEJIU-GFCCVEGCSA-N 1 0 310.394 3.053 20 5 DGBDRO C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000179586295 199059172 /nfs/dbraw/zinc/05/91/72/199059172.db2.gz JTWLDTDVQLCGOJ-GHMZBOCLSA-N 1 0 306.387 3.355 20 5 DGBDRO CC(C)[NH2+]C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179832571 199085775 /nfs/dbraw/zinc/08/57/75/199085775.db2.gz HPWJFNSSTWCUGQ-FNORWQNLSA-N 1 0 303.406 3.070 20 5 DGBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000237309307 202226679 /nfs/dbraw/zinc/22/66/79/202226679.db2.gz ABLYYUFBHYQFHQ-AWEZNQCLSA-N 1 0 314.385 3.454 20 5 DGBDRO Cc1c(NC(=O)CC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000180448877 199160666 /nfs/dbraw/zinc/16/06/66/199160666.db2.gz XEPACTGANLVTRC-UHFFFAOYSA-N 1 0 307.394 3.351 20 5 DGBDRO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180413088 199155807 /nfs/dbraw/zinc/15/58/07/199155807.db2.gz FSUWHIHNQVFJKH-ZFWWWQNUSA-N 1 0 319.405 3.037 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc3c2CCCN3)cs1 ZINC000415030004 237019049 /nfs/dbraw/zinc/01/90/49/237019049.db2.gz FGXZGLINQCBQPP-UHFFFAOYSA-N 1 0 303.387 3.304 20 5 DGBDRO CC[N@H+](C)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180270834 432082916 /nfs/dbraw/zinc/08/29/16/432082916.db2.gz FFFGEWQEPPZOSO-SFHVURJKSA-N 1 0 313.401 3.226 20 5 DGBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)c2ccccc2C[NH2+]1 ZINC000415099842 237076646 /nfs/dbraw/zinc/07/66/46/237076646.db2.gz LIYDWWDFHYOQDS-LLVKDONJSA-N 1 0 303.387 3.155 20 5 DGBDRO Cc1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000188246367 200215550 /nfs/dbraw/zinc/21/55/50/200215550.db2.gz FOQOYEUXIPAJFX-QGZVFWFLSA-N 1 0 304.390 3.294 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)o1 ZINC000188832589 200309868 /nfs/dbraw/zinc/30/98/68/200309868.db2.gz KYZQMVUIYSEETD-OLZOCXBDSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CC[C@H](O)C3)o2)c1 ZINC000188843646 200311491 /nfs/dbraw/zinc/31/14/91/200311491.db2.gz MWRHFVWKZROSGJ-WFASDCNBSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000189184250 200361472 /nfs/dbraw/zinc/36/14/72/200361472.db2.gz XSKNPNZYZNZOOB-QGZVFWFLSA-N 1 0 304.390 3.028 20 5 DGBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000428102747 238009549 /nfs/dbraw/zinc/00/95/49/238009549.db2.gz LNCRTQOJULSWHX-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO COCC(C)(C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429251807 238045046 /nfs/dbraw/zinc/04/50/46/238045046.db2.gz BYGNUGXSQITLBH-UHFFFAOYSA-N 1 0 319.361 3.107 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429311605 238047880 /nfs/dbraw/zinc/04/78/80/238047880.db2.gz CEDFWQIBIAYCHV-ZDUSSCGKSA-N 1 0 318.760 3.211 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000430207125 238070922 /nfs/dbraw/zinc/07/09/22/238070922.db2.gz YVDRLTLTGYTSLY-LLVKDONJSA-N 1 0 321.402 3.295 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)c1cccnc1 ZINC000430217598 238071296 /nfs/dbraw/zinc/07/12/96/238071296.db2.gz JVNZAIQWRHIXNH-LBPRGKRZSA-N 1 0 301.346 3.191 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429584356 238056270 /nfs/dbraw/zinc/05/62/70/238056270.db2.gz DTDNTGCHQOHHOC-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000434797407 238246174 /nfs/dbraw/zinc/24/61/74/238246174.db2.gz YAGDSBMHORBZNZ-QQOXCAACSA-N 1 0 315.417 3.215 20 5 DGBDRO COc1ccc(OCC[N@H+](C)Cc2occc2C)c([N+](=O)[O-])c1 ZINC000292470819 223101255 /nfs/dbraw/zinc/10/12/55/223101255.db2.gz ZRINNWZKEFZDKF-UHFFFAOYSA-N 1 0 320.345 3.016 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000292656541 223187443 /nfs/dbraw/zinc/18/74/43/223187443.db2.gz IHHNRLBITQKQMK-CQSZACIVSA-N 1 0 310.781 3.128 20 5 DGBDRO CC(C)(C)[C@H](CCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193282319 201018493 /nfs/dbraw/zinc/01/84/93/201018493.db2.gz TZFSAXVEQNDIHS-HOTGVXAUSA-N 1 0 306.406 3.359 20 5 DGBDRO COCc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000194166933 201189817 /nfs/dbraw/zinc/18/98/17/201189817.db2.gz ZPMKHSSEUWISBW-UHFFFAOYSA-N 1 0 300.358 3.074 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000441451914 239054950 /nfs/dbraw/zinc/05/49/50/239054950.db2.gz OJXSABLYARKABQ-HIFRSBDPSA-N 1 0 320.389 3.247 20 5 DGBDRO CC[C@@H]([NH2+]CCCc1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000194755732 201285124 /nfs/dbraw/zinc/28/51/24/201285124.db2.gz QNGJFLRDAQODFX-MRXNPFEDSA-N 1 0 302.378 3.300 20 5 DGBDRO COc1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1O ZINC000171052605 432098744 /nfs/dbraw/zinc/09/87/44/432098744.db2.gz LLYLLLKZIMDDIB-GQCTYLIASA-N 1 0 314.341 3.112 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCC(F)(F)F)n1 ZINC000442864089 239139463 /nfs/dbraw/zinc/13/94/63/239139463.db2.gz YNEFBNPDZVJIED-QWRGUYRKSA-N 1 0 320.315 3.207 20 5 DGBDRO C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000271851420 209267932 /nfs/dbraw/zinc/26/79/32/209267932.db2.gz ISUOKKIXXQBENW-UONOGXRCSA-N 1 0 306.406 3.434 20 5 DGBDRO Cc1ccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000443680625 239227790 /nfs/dbraw/zinc/22/77/90/239227790.db2.gz JOKFXGWBZODTNI-LBPRGKRZSA-N 1 0 322.409 3.001 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000444225697 239271032 /nfs/dbraw/zinc/27/10/32/239271032.db2.gz RLNMTEZHEOKREI-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000271847000 209264977 /nfs/dbraw/zinc/26/49/77/209264977.db2.gz HYCHBRSPPMHVKU-UONOGXRCSA-N 1 0 306.406 3.434 20 5 DGBDRO CC(C)[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000449078061 240007150 /nfs/dbraw/zinc/00/71/50/240007150.db2.gz UAYIHTJJZUOTTE-YJBOKZPZSA-N 1 0 319.449 3.236 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1cccc(F)c1 ZINC000449083250 240008136 /nfs/dbraw/zinc/00/81/36/240008136.db2.gz BBCPPAVTNXRTAT-ZDUSSCGKSA-N 1 0 318.348 3.334 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2c1OCO2 ZINC000449083206 240008589 /nfs/dbraw/zinc/00/85/89/240008589.db2.gz AXOKFVUDKXRFLI-GFCCVEGCSA-N 1 0 314.341 3.044 20 5 DGBDRO CCCC(O)(CCC)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449162758 240046331 /nfs/dbraw/zinc/04/63/31/240046331.db2.gz TUGWJLCKIBWGBO-CQSZACIVSA-N 1 0 308.422 3.447 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449166488 240049245 /nfs/dbraw/zinc/04/92/45/240049245.db2.gz DDGPETNVNCQTLP-UHFFFAOYSA-N 1 0 314.389 3.239 20 5 DGBDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449175688 240052703 /nfs/dbraw/zinc/05/27/03/240052703.db2.gz RDXLHQAEUPCBRY-GXTWGEPZSA-N 1 0 320.414 3.219 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000449181501 240055768 /nfs/dbraw/zinc/05/57/68/240055768.db2.gz HUCQPJIYHOQRPN-CJNGLKHVSA-N 1 0 306.406 3.321 20 5 DGBDRO CCc1noc(CC)c1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449191204 240060033 /nfs/dbraw/zinc/06/00/33/240060033.db2.gz OIWRMFRGVHEWML-LBPRGKRZSA-N 1 0 317.389 3.428 20 5 DGBDRO CC(C)Cn1ccnc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449220912 240075158 /nfs/dbraw/zinc/07/51/58/240075158.db2.gz FAHXORXRMFCVRM-AWEZNQCLSA-N 1 0 316.405 3.168 20 5 DGBDRO CCc1nc(C)c(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449338424 240141195 /nfs/dbraw/zinc/14/11/95/240141195.db2.gz GKSCRAFTSDKBPF-NSHDSACASA-N 1 0 303.362 3.174 20 5 DGBDRO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329132 240134800 /nfs/dbraw/zinc/13/48/00/240134800.db2.gz MNQIRIVSXAITGF-GJZGRUSLSA-N 1 0 307.438 3.236 20 5 DGBDRO Cc1ncsc1CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449469909 240225179 /nfs/dbraw/zinc/22/51/79/240225179.db2.gz VSYWMPSTJFSURE-LLVKDONJSA-N 1 0 305.403 3.123 20 5 DGBDRO COc1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000449476949 240231569 /nfs/dbraw/zinc/23/15/69/240231569.db2.gz ODFVMPLMAPYWEE-AWEZNQCLSA-N 1 0 320.389 3.042 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nn(C)cc1Cl ZINC000449481983 240232240 /nfs/dbraw/zinc/23/22/40/240232240.db2.gz WZLSGQZOUCUYMI-NSHDSACASA-N 1 0 322.796 3.093 20 5 DGBDRO CC[C@@](C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000449480732 240234050 /nfs/dbraw/zinc/23/40/50/240234050.db2.gz ZKJBRKZPXYXWQF-AWEZNQCLSA-N 1 0 318.320 3.101 20 5 DGBDRO Cc1cccnc1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449487255 240238723 /nfs/dbraw/zinc/23/87/23/240238723.db2.gz XJLIORCUMJLFKR-UHFFFAOYSA-N 1 0 303.337 3.160 20 5 DGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000449581836 240303791 /nfs/dbraw/zinc/30/37/91/240303791.db2.gz CETNNYDBRFCAAS-HEWZJLJBSA-N 1 0 306.406 3.337 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449589174 240306421 /nfs/dbraw/zinc/30/64/21/240306421.db2.gz MHBOBGPCRWGTCG-JLJPHGGASA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1cnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449505314 240253179 /nfs/dbraw/zinc/25/31/79/240253179.db2.gz WVYYORIIHBZWSK-HNNXBMFYSA-N 1 0 312.373 3.073 20 5 DGBDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000449631318 240331375 /nfs/dbraw/zinc/33/13/75/240331375.db2.gz KHHGQSBKKVKSAN-LSDHHAIUSA-N 1 0 308.353 3.123 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(C2CC2)o1 ZINC000449708517 240377140 /nfs/dbraw/zinc/37/71/40/240377140.db2.gz VKKDLZBWZQPYEM-LLVKDONJSA-N 1 0 301.346 3.181 20 5 DGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451502131 241147358 /nfs/dbraw/zinc/14/73/58/241147358.db2.gz PWMHLBUVPLEUPU-LSDHHAIUSA-N 1 0 310.369 3.416 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000189980925 432109698 /nfs/dbraw/zinc/10/96/98/432109698.db2.gz SRRUWMYGCMBMOZ-GDBMZVCRSA-N 1 0 306.406 3.359 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@@H](C)CCC1(C)C ZINC000452005721 241296716 /nfs/dbraw/zinc/29/67/16/241296716.db2.gz KIPJYSSUUBCDCQ-LBPRGKRZSA-N 1 0 305.378 3.105 20 5 DGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000452014245 241297063 /nfs/dbraw/zinc/29/70/63/241297063.db2.gz UBCPIIVNLLBCEZ-LLVKDONJSA-N 1 0 316.361 3.408 20 5 DGBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC000452071124 241310402 /nfs/dbraw/zinc/31/04/02/241310402.db2.gz QNPUFEQZALMXTC-MELADBBJSA-N 1 0 319.405 3.338 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000271778693 209206488 /nfs/dbraw/zinc/20/64/88/209206488.db2.gz DCMIQJSUNMVIGO-JSGCOSHPSA-N 1 0 316.357 3.369 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459766827 243490219 /nfs/dbraw/zinc/49/02/19/243490219.db2.gz PVFHVIIJBADSHO-VZAMPYOESA-N 1 0 317.389 3.090 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000466418510 243918172 /nfs/dbraw/zinc/91/81/72/243918172.db2.gz YIJKYFNJBVSMJW-GEZBDVBVSA-N 1 0 318.417 3.386 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1CCOCC1 ZINC000468551269 244052663 /nfs/dbraw/zinc/05/26/63/244052663.db2.gz CUXWZLBNRYTGHH-CQSZACIVSA-N 1 0 306.406 3.322 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000468585762 244055241 /nfs/dbraw/zinc/05/52/41/244055241.db2.gz LLCYCABGPQUJDO-RKCSUWQLSA-N 1 0 318.417 3.385 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)CC(C)(C)C ZINC000468624014 244056908 /nfs/dbraw/zinc/05/69/08/244056908.db2.gz ZMLRHBUSXRYSDO-RQPMMQJISA-N 1 0 306.406 3.385 20 5 DGBDRO CCCCN(C)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468627930 244057071 /nfs/dbraw/zinc/05/70/71/244057071.db2.gz HTLYAZLLWDBTDW-NTCAYCPXSA-N 1 0 305.422 3.320 20 5 DGBDRO CC[C@@H](C)N(C)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468647972 244059810 /nfs/dbraw/zinc/05/98/10/244059810.db2.gz IDNAVYREGIBAAE-ATGUSINASA-N 1 0 305.422 3.318 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)CCC1CC1 ZINC000469807324 244124900 /nfs/dbraw/zinc/12/49/00/244124900.db2.gz HKGLEZLTXUNDSU-QWHCGFSZSA-N 1 0 319.405 3.480 20 5 DGBDRO CCN1CCC([N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170899 244153558 /nfs/dbraw/zinc/15/35/58/244153558.db2.gz CBFBODVBWSJQIX-NTCAYCPXSA-N 1 0 317.433 3.414 20 5 DGBDRO CCC(CC)(CC)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000118989418 284131549 /nfs/dbraw/zinc/13/15/49/284131549.db2.gz SHPDQGOQBMZQKY-UHFFFAOYSA-N 1 0 319.405 3.042 20 5 DGBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000119220058 284138195 /nfs/dbraw/zinc/13/81/95/284138195.db2.gz LZKIOFYFEAWEBK-GFCCVEGCSA-N 1 0 311.813 3.022 20 5 DGBDRO C[C@H]1C[C@@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000119285833 284139642 /nfs/dbraw/zinc/13/96/42/284139642.db2.gz KNFOMBBHKXGIJM-RYUDHWBXSA-N 1 0 311.813 3.163 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOC(F)(F)F ZINC000474031535 244361617 /nfs/dbraw/zinc/36/16/17/244361617.db2.gz IWHSCHKBUJKMOR-SNVBAGLBSA-N 1 0 306.284 3.042 20 5 DGBDRO CC[NH+]1CCC(N(C)Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119282409 284139580 /nfs/dbraw/zinc/13/95/80/284139580.db2.gz GVJPKYAPHCZREQ-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C\c2ccncc2)c(Cl)c1 ZINC000487549155 245073827 /nfs/dbraw/zinc/07/38/27/245073827.db2.gz FKSJQNSLNBFCGC-UPHRSURJSA-N 1 0 303.749 3.446 20 5 DGBDRO Cc1cnc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000122860150 284227283 /nfs/dbraw/zinc/22/72/83/284227283.db2.gz XHUHMNAVOIZYBX-AWEZNQCLSA-N 1 0 317.414 3.471 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488718916 245221126 /nfs/dbraw/zinc/22/11/26/245221126.db2.gz HNQQUWRRCIVKNQ-DUVNUKRYSA-N 1 0 303.406 3.070 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488718921 245223754 /nfs/dbraw/zinc/22/37/54/245223754.db2.gz HNQQUWRRCIVKNQ-XNRPHZJLSA-N 1 0 303.406 3.070 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)C[NH+](C)C ZINC000488998860 245260953 /nfs/dbraw/zinc/26/09/53/245260953.db2.gz BADKJSTWXTWFCO-LBPRGKRZSA-N 1 0 309.410 3.382 20 5 DGBDRO CCCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000282545848 217077897 /nfs/dbraw/zinc/07/78/97/217077897.db2.gz CNQVKVOOPLVASF-UHFFFAOYSA-N 1 0 305.378 3.188 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000268725567 432127305 /nfs/dbraw/zinc/12/73/05/432127305.db2.gz QNGWEXGKDCKOJX-DYVFJYSZSA-N 1 0 300.358 3.287 20 5 DGBDRO CCOC(=O)CC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266507277 205396367 /nfs/dbraw/zinc/39/63/67/205396367.db2.gz CEQGGQKRKHUQFA-CYBMUJFWSA-N 1 0 320.389 3.321 20 5 DGBDRO CC(C)Cn1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000283013394 217387486 /nfs/dbraw/zinc/38/74/86/217387486.db2.gz LPWZCBQVUVOBJT-UHFFFAOYSA-N 1 0 316.405 3.122 20 5 DGBDRO COCC1=CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000274594380 211744654 /nfs/dbraw/zinc/74/46/54/211744654.db2.gz BNXQZONXOFDCDS-UHFFFAOYSA-N 1 0 313.357 3.234 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCSC2)c1 ZINC000288571147 220247846 /nfs/dbraw/zinc/24/78/46/220247846.db2.gz ZSDOVVAXNSPMSA-JTQLQIEISA-N 1 0 300.811 3.481 20 5 DGBDRO Cn1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000130412072 284441110 /nfs/dbraw/zinc/44/11/10/284441110.db2.gz MYBFCHSAZMJGCO-RDJZCZTQSA-N 1 0 313.401 3.434 20 5 DGBDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267391382 206031015 /nfs/dbraw/zinc/03/10/15/206031015.db2.gz DFCWAPOCDDGTEJ-UWVGGRQHSA-N 1 0 306.284 3.213 20 5 DGBDRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267391380 206032400 /nfs/dbraw/zinc/03/24/00/206032400.db2.gz DFCWAPOCDDGTEJ-NXEZZACHSA-N 1 0 306.284 3.213 20 5 DGBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000494524039 246158363 /nfs/dbraw/zinc/15/83/63/246158363.db2.gz KMPYARPWOFINAP-ZDUSSCGKSA-N 1 0 320.311 3.374 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000268790343 432135094 /nfs/dbraw/zinc/13/50/94/432135094.db2.gz UNNKUYZUFMISBT-KRWDZBQOSA-N 1 0 311.385 3.409 20 5 DGBDRO CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000030144615 182584868 /nfs/dbraw/zinc/58/48/68/182584868.db2.gz PNTRIAVHFJGODI-AWEZNQCLSA-N 1 0 319.405 3.354 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246531457 432142235 /nfs/dbraw/zinc/14/22/35/432142235.db2.gz JJJLIPVWPSIKIR-WMLDXEAASA-N 1 0 315.417 3.044 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000104151700 193988065 /nfs/dbraw/zinc/98/80/65/193988065.db2.gz RLKHIVVXMWCZOK-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000284857650 218210420 /nfs/dbraw/zinc/21/04/20/218210420.db2.gz RWYPHJWABSBZEC-HOCLYGCPSA-N 1 0 320.389 3.137 20 5 DGBDRO COCC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC000285231674 218343324 /nfs/dbraw/zinc/34/33/24/218343324.db2.gz PHPVOLVOFPXPNA-RISCZKNCSA-N 1 0 319.361 3.198 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285346608 218391130 /nfs/dbraw/zinc/39/11/30/218391130.db2.gz UZKZHYSYWSQVTO-JSGCOSHPSA-N 1 0 319.405 3.319 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[C@@H]1CC[NH2+]C1 ZINC000110798293 194360248 /nfs/dbraw/zinc/36/02/48/194360248.db2.gz SEKIQRSRDKOUNS-VIFPVBQESA-N 1 0 303.284 3.025 20 5 DGBDRO CCC[C@](C)(O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268906397 207075901 /nfs/dbraw/zinc/07/59/01/207075901.db2.gz RMBRPXPZSGUHQI-WBVHZDCISA-N 1 0 306.406 3.057 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268979914 207140348 /nfs/dbraw/zinc/14/03/48/207140348.db2.gz CBWXXALXAPYBRH-RBOXIYTFSA-N 1 0 303.406 3.037 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000268985225 207143269 /nfs/dbraw/zinc/14/32/69/207143269.db2.gz LMGMFBYRWBBJOU-DOMZBBRYSA-N 1 0 304.346 3.189 20 5 DGBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000269068423 207215218 /nfs/dbraw/zinc/21/52/18/207215218.db2.gz WJFRAUZNYWIOKE-LSDHHAIUSA-N 1 0 304.346 3.271 20 5 DGBDRO CCC[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000063761679 184288337 /nfs/dbraw/zinc/28/83/37/184288337.db2.gz HSUZSVIPFVRGBL-UHFFFAOYSA-N 1 0 304.293 3.047 20 5 DGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])CC(C)C ZINC000112915546 194535261 /nfs/dbraw/zinc/53/52/61/194535261.db2.gz GKNDQAHWKCEAOF-AWEZNQCLSA-N 1 0 321.421 3.081 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)C1CC1 ZINC000247935492 284980271 /nfs/dbraw/zinc/98/02/71/284980271.db2.gz CKLSONIVCPCFNU-XYPHTWIQSA-N 1 0 318.417 3.057 20 5 DGBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119793840 195038411 /nfs/dbraw/zinc/03/84/11/195038411.db2.gz GBEWQAZUUAROOU-CYBMUJFWSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272656203 252834148 /nfs/dbraw/zinc/83/41/48/252834148.db2.gz BFZYOTDAKKKGET-KBPBESRZSA-N 1 0 318.421 3.363 20 5 DGBDRO COc1cc(NCC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000302161691 533026749 /nfs/dbraw/zinc/02/67/49/533026749.db2.gz PPFAWGHMBOHTPO-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000336969561 253029010 /nfs/dbraw/zinc/02/90/10/253029010.db2.gz BOLCZFSGWVTTMD-ZFWWWQNUSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@@]1(C)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337209263 253062649 /nfs/dbraw/zinc/06/26/49/253062649.db2.gz AOHMNLXVIHHDIL-INIZCTEOSA-N 1 0 305.378 3.045 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC[C@H]2OC(F)F)cs1 ZINC000337238313 253067644 /nfs/dbraw/zinc/06/76/44/253067644.db2.gz AAXJORCSLRJWFN-VHSXEESVSA-N 1 0 306.334 3.296 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cs1 ZINC000449542639 285086725 /nfs/dbraw/zinc/08/67/25/285086725.db2.gz QVCZXUYZFJGWNC-KBPBESRZSA-N 1 0 319.386 3.061 20 5 DGBDRO C[C@H]1C[C@H](CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000273079414 210458698 /nfs/dbraw/zinc/45/86/98/210458698.db2.gz QEXJRBTVNDQDAD-UNCXAERMSA-N 1 0 304.390 3.403 20 5 DGBDRO CCOc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338347599 253269665 /nfs/dbraw/zinc/26/96/65/253269665.db2.gz IGCCCQFMZZEZQE-UHFFFAOYSA-N 1 0 315.373 3.063 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000437541693 285111253 /nfs/dbraw/zinc/11/12/53/285111253.db2.gz XMWMXJROHSYCJC-CVEARBPZSA-N 1 0 306.431 3.497 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000338644588 253325906 /nfs/dbraw/zinc/32/59/06/253325906.db2.gz GVZCTQLAGXRNFP-HNNXBMFYSA-N 1 0 321.402 3.380 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000272990148 210371325 /nfs/dbraw/zinc/37/13/25/210371325.db2.gz QABOVYGXENTBLP-KGLIPLIRSA-N 1 0 318.421 3.363 20 5 DGBDRO Cc1cc(NCC[NH+]2CCC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338685910 253334346 /nfs/dbraw/zinc/33/43/46/253334346.db2.gz YZYZUSXPJKOCLC-UHFFFAOYSA-N 1 0 303.284 3.040 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000338711517 253339340 /nfs/dbraw/zinc/33/93/40/253339340.db2.gz ZKSSXRRKKWXVBK-XQRVVYSFSA-N 1 0 315.417 3.215 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)c(C(F)(F)F)c1 ZINC000338713655 253339667 /nfs/dbraw/zinc/33/96/67/253339667.db2.gz UNAOXUDNOSUUIZ-UHFFFAOYSA-N 1 0 315.295 3.287 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c[nH]nc2c1 ZINC000338953038 253377882 /nfs/dbraw/zinc/37/78/82/253377882.db2.gz BIQHEMLTUQYOKA-UHFFFAOYSA-N 1 0 310.357 3.146 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000272963811 210350150 /nfs/dbraw/zinc/35/01/50/210350150.db2.gz NYBIRSPFGJFTJB-GFCCVEGCSA-N 1 0 320.780 3.351 20 5 DGBDRO CCC[C@]1(CO)CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000288671810 220337141 /nfs/dbraw/zinc/33/71/41/220337141.db2.gz CGTQAHWNXZTHTF-PBHICJAKSA-N 1 0 306.406 3.449 20 5 DGBDRO Cc1cc(NCCC[C@@H](C)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272883411 210273392 /nfs/dbraw/zinc/27/33/92/210273392.db2.gz VZJZBVXAKNGUDA-LLVKDONJSA-N 1 0 303.362 3.272 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)cc1[N+](=O)[O-] ZINC000120278861 195134374 /nfs/dbraw/zinc/13/43/74/195134374.db2.gz FBERLYPPKNRYBR-CZUORRHYSA-N 1 0 317.389 3.450 20 5 DGBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000157649319 197204601 /nfs/dbraw/zinc/20/46/01/197204601.db2.gz YCGCULSZNLZWEF-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2=CCCCC2)n1 ZINC000453248075 285169676 /nfs/dbraw/zinc/16/96/76/285169676.db2.gz KPQCBVUKKJCNGQ-CABCVRRESA-N 1 0 304.394 3.365 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]2C2CCC2)n1 ZINC000424315739 285169688 /nfs/dbraw/zinc/16/96/88/285169688.db2.gz AKKMHRHJMJTDQE-YJNKXOJESA-N 1 0 304.394 3.053 20 5 DGBDRO C[NH+]1CCC(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000343112924 254101780 /nfs/dbraw/zinc/10/17/80/254101780.db2.gz WRKHSTIKIIGXJN-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO Cc1cc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C2CC2)ccc1F ZINC000343383266 254134950 /nfs/dbraw/zinc/13/49/50/254134950.db2.gz HWPSIRAIVJWEJB-HNNXBMFYSA-N 1 0 318.352 3.017 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343711417 254180438 /nfs/dbraw/zinc/18/04/38/254180438.db2.gz NRVYHCHRTLTAFL-CYBMUJFWSA-N 1 0 307.394 3.291 20 5 DGBDRO CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343939764 254204810 /nfs/dbraw/zinc/20/48/10/254204810.db2.gz VDMQUTYQYZLGHY-CQSZACIVSA-N 1 0 319.405 3.436 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344032906 254216285 /nfs/dbraw/zinc/21/62/85/254216285.db2.gz FDONCBYYWKMERV-UONOGXRCSA-N 1 0 317.389 3.210 20 5 DGBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344201925 254238679 /nfs/dbraw/zinc/23/86/79/254238679.db2.gz ACTNZXAIBZEBDX-ZYHUDNBSSA-N 1 0 300.786 3.135 20 5 DGBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344201923 254238831 /nfs/dbraw/zinc/23/88/31/254238831.db2.gz ACTNZXAIBZEBDX-JQWIXIFHSA-N 1 0 300.786 3.135 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000344205539 254239023 /nfs/dbraw/zinc/23/90/23/254239023.db2.gz CKDMIWLFQMDNAV-UHFFFAOYSA-N 1 0 318.417 3.466 20 5 DGBDRO CC[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344212475 254239585 /nfs/dbraw/zinc/23/95/85/254239585.db2.gz DEPDBFBOBQNTPC-DYVFJYSZSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCC(=O)OC(C)(C)C ZINC000344210043 254240069 /nfs/dbraw/zinc/24/00/69/254240069.db2.gz CZDNHCXLMUJICO-LBPRGKRZSA-N 1 0 308.378 3.319 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000344330225 254257459 /nfs/dbraw/zinc/25/74/59/254257459.db2.gz NWJOLFUCXZKDJC-HOTGVXAUSA-N 1 0 304.390 3.075 20 5 DGBDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000344699427 254297235 /nfs/dbraw/zinc/29/72/35/254297235.db2.gz NSFLKTUXGWLBEJ-AWEZNQCLSA-N 1 0 306.387 3.004 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nc(C)oc1C ZINC000344754427 254302552 /nfs/dbraw/zinc/30/25/52/254302552.db2.gz AWZMITARYAMKMA-FMIVXFBMSA-N 1 0 315.373 3.435 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000344842679 254310009 /nfs/dbraw/zinc/31/00/09/254310009.db2.gz HCLUEGQRBCBBDH-SIAJKBFNSA-N 1 0 304.390 3.139 20 5 DGBDRO COC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000156735087 197137018 /nfs/dbraw/zinc/13/70/18/197137018.db2.gz QXZXINQCGYFOJX-DZGCQCFKSA-N 1 0 318.373 3.486 20 5 DGBDRO CCC[NH+]1CCC(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000120710153 195221599 /nfs/dbraw/zinc/22/15/99/195221599.db2.gz BPPZXLIVMOGZTH-CQSZACIVSA-N 1 0 305.422 3.428 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2cnccc2C)cc1[N+](=O)[O-] ZINC000271569878 209021447 /nfs/dbraw/zinc/02/14/47/209021447.db2.gz XBCWSUYIRRJVCL-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO C[C@H](CO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000289519461 221037639 /nfs/dbraw/zinc/03/76/39/221037639.db2.gz VGGXBZUYHAYDOK-LLVKDONJSA-N 1 0 306.387 3.136 20 5 DGBDRO COCCC[N@H+](Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000289556665 221064119 /nfs/dbraw/zinc/06/41/19/221064119.db2.gz YDVURVREEJJAFF-UHFFFAOYSA-N 1 0 315.373 3.029 20 5 DGBDRO Cc1ccc(CN(CC[NH+](C)C)Cc2csc([N+](=O)[O-])c2)o1 ZINC000289558313 221066150 /nfs/dbraw/zinc/06/61/50/221066150.db2.gz YGZGTBVFESLJPP-UHFFFAOYSA-N 1 0 323.418 3.122 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000294997371 224367035 /nfs/dbraw/zinc/36/70/35/224367035.db2.gz ZNRZMAFNCHRBRV-ZIAGYGMSSA-N 1 0 316.405 3.483 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121735283 195336801 /nfs/dbraw/zinc/33/68/01/195336801.db2.gz VGTCGIZXQRADFC-AGIUHOORSA-N 1 0 305.378 3.090 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000468748319 533384248 /nfs/dbraw/zinc/38/42/48/533384248.db2.gz PTABGOBSXUXEKI-AFYSSFTJSA-N 1 0 315.417 3.213 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000470200357 533406906 /nfs/dbraw/zinc/40/69/06/533406906.db2.gz AQNQBWYILZIVCB-WCEBEWAISA-N 1 0 304.390 3.233 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000468630950 533410203 /nfs/dbraw/zinc/41/02/03/533410203.db2.gz NBEGAGXYUMUQGO-RBAMYAFPSA-N 1 0 324.380 3.246 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000468748321 533410502 /nfs/dbraw/zinc/41/05/02/533410502.db2.gz PTABGOBSXUXEKI-PZLHCRFSSA-N 1 0 315.417 3.213 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000356736294 285465507 /nfs/dbraw/zinc/46/55/07/285465507.db2.gz KKFXZMORSPDCAN-AWEZNQCLSA-N 1 0 302.378 3.205 20 5 DGBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000286951123 131257610 /nfs/dbraw/zinc/25/76/10/131257610.db2.gz KPNAXKFTQYTABM-ZDUSSCGKSA-N 1 0 307.397 3.068 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000357654901 285816256 /nfs/dbraw/zinc/81/62/56/285816256.db2.gz OUGAUQKLVPPWSG-UHFFFAOYSA-N 1 0 314.389 3.278 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000595039661 400085230 /nfs/dbraw/zinc/08/52/30/400085230.db2.gz UZFYCAIEUCLHTO-MEDUHNTESA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000595046829 400087976 /nfs/dbraw/zinc/08/79/76/400087976.db2.gz BMBUZSJFPSPLTQ-RYUDHWBXSA-N 1 0 310.419 3.397 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000595047322 400088240 /nfs/dbraw/zinc/08/82/40/400088240.db2.gz QZJBVYMTKSKJIQ-QWHCGFSZSA-N 1 0 315.373 3.280 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000595049472 400089590 /nfs/dbraw/zinc/08/95/90/400089590.db2.gz CPTOKJBAJNUKLO-RVMXOQNASA-N 1 0 308.378 3.068 20 5 DGBDRO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595056367 400092756 /nfs/dbraw/zinc/09/27/56/400092756.db2.gz FRPVHNOOGVFYKY-ZFWWWQNUSA-N 1 0 305.422 3.427 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc(C)o1 ZINC000608781967 400119386 /nfs/dbraw/zinc/11/93/86/400119386.db2.gz PXSFEQUOMPITJR-UHFFFAOYSA-N 1 0 304.346 3.227 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000595068394 400097559 /nfs/dbraw/zinc/09/75/59/400097559.db2.gz OKSWXNDEVNWUIW-MLGOLLRUSA-N 1 0 304.390 3.113 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595075561 400100532 /nfs/dbraw/zinc/10/05/32/400100532.db2.gz YWXORDBHDBDHEA-VNSASSJJSA-N 1 0 324.446 3.325 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCC2CCC2)n1 ZINC000595078752 400100783 /nfs/dbraw/zinc/10/07/83/400100783.db2.gz AQWBZFNZNXTZBE-CABCVRRESA-N 1 0 306.410 3.445 20 5 DGBDRO CC[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000584834336 400111794 /nfs/dbraw/zinc/11/17/94/400111794.db2.gz JYQHGJZPQJXIEJ-KGLIPLIRSA-N 1 0 319.405 3.482 20 5 DGBDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000090891721 400082554 /nfs/dbraw/zinc/08/25/54/400082554.db2.gz DRMYONHVMQRPPX-YVEFUNNKSA-N 1 0 318.348 3.292 20 5 DGBDRO CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595035426 400084330 /nfs/dbraw/zinc/08/43/30/400084330.db2.gz JDUIMBNBGQUNML-LBPRGKRZSA-N 1 0 310.394 3.053 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000609539871 400174646 /nfs/dbraw/zinc/17/46/46/400174646.db2.gz GEOLYOXLQXPLOQ-CQSZACIVSA-N 1 0 316.357 3.446 20 5 DGBDRO CO[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595519504 400175330 /nfs/dbraw/zinc/17/53/30/400175330.db2.gz KSPOHXMMDIMGHP-GJZGRUSLSA-N 1 0 308.353 3.123 20 5 DGBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000587979752 400176540 /nfs/dbraw/zinc/17/65/40/400176540.db2.gz BCYMVLSJBCZSRB-CYBMUJFWSA-N 1 0 305.378 3.084 20 5 DGBDRO CC1(C)C[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000595525241 400178152 /nfs/dbraw/zinc/17/81/52/400178152.db2.gz QDVWJXHOUHKTIJ-GOEBONIOSA-N 1 0 304.390 3.342 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CN1 ZINC000600679704 400127818 /nfs/dbraw/zinc/12/78/18/400127818.db2.gz NRBZWLTVZDZTOH-TXCZRRACSA-N 1 0 317.433 3.036 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000595419956 400144233 /nfs/dbraw/zinc/14/42/33/400144233.db2.gz BHCXMBDGJFIQOH-OAHLLOKOSA-N 1 0 310.369 3.155 20 5 DGBDRO CC[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000595433743 400149171 /nfs/dbraw/zinc/14/91/71/400149171.db2.gz ZZKYQGWISDYQBZ-CQSZACIVSA-N 1 0 320.368 3.325 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092071711 400151613 /nfs/dbraw/zinc/15/16/13/400151613.db2.gz NILRWRHVABHAKL-YFCVBGDOSA-N 1 0 312.373 3.211 20 5 DGBDRO C[C@@H]1[NH2+]CCO[C@H]1c1ccc(-c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000600788067 400153244 /nfs/dbraw/zinc/15/32/44/400153244.db2.gz AOYQZNOFCKALJX-APPDUMDISA-N 1 0 316.332 3.450 20 5 DGBDRO C[C@@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000317363088 400154336 /nfs/dbraw/zinc/15/43/36/400154336.db2.gz CETDXUJMHPJEDT-AWEZNQCLSA-N 1 0 300.358 3.367 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCC2)CC1 ZINC000586783112 400154389 /nfs/dbraw/zinc/15/43/89/400154389.db2.gz YXJMSRIZTKZYKC-ZDUSSCGKSA-N 1 0 317.389 3.188 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000595455264 400156531 /nfs/dbraw/zinc/15/65/31/400156531.db2.gz RTOKFPFWIJXDCU-IMJJTQAJSA-N 1 0 320.364 3.171 20 5 DGBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595485273 400165532 /nfs/dbraw/zinc/16/55/32/400165532.db2.gz XHMACDBCBCDDHZ-UHFFFAOYSA-N 1 0 308.353 3.125 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000067383220 400167120 /nfs/dbraw/zinc/16/71/20/400167120.db2.gz JBCZQCSPHJNGTA-CYBMUJFWSA-N 1 0 304.350 3.078 20 5 DGBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000067383127 400167233 /nfs/dbraw/zinc/16/72/33/400167233.db2.gz WEAMBLDVJGNLAW-HNNXBMFYSA-N 1 0 300.362 3.013 20 5 DGBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494369 400167894 /nfs/dbraw/zinc/16/78/94/400167894.db2.gz XVRLMQBWSRPPDK-DOMZBBRYSA-N 1 0 310.369 3.249 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000025280445 400232248 /nfs/dbraw/zinc/23/22/48/400232248.db2.gz NUBWQLUNVNQKPP-INIZCTEOSA-N 1 0 303.337 3.449 20 5 DGBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000093282792 400236434 /nfs/dbraw/zinc/23/64/34/400236434.db2.gz JKCDZVOYDOOSFT-CQSZACIVSA-N 1 0 320.389 3.006 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CCO ZINC000595706961 400237247 /nfs/dbraw/zinc/23/72/47/400237247.db2.gz ZPSBYBOXPISHGD-XHDPSFHLSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000588928757 400246892 /nfs/dbraw/zinc/24/68/92/400246892.db2.gz RYLKXAHSSAIAIO-CQSZACIVSA-N 1 0 320.776 3.114 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752666 400249702 /nfs/dbraw/zinc/24/97/02/400249702.db2.gz VEFOHOJTFNQYTL-DYVFJYSZSA-N 1 0 304.390 3.201 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C2CCCC1CCC2 ZINC000610395052 400253583 /nfs/dbraw/zinc/25/35/83/400253583.db2.gz SWWCYVCGERTFCH-UHFFFAOYSA-N 1 0 317.389 3.249 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000026161156 400253812 /nfs/dbraw/zinc/25/38/12/400253812.db2.gz UVJIMYHYILFLKA-CHWSQXEVSA-N 1 0 319.405 3.210 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595593067 400197399 /nfs/dbraw/zinc/19/73/99/400197399.db2.gz MXEISXYGIFQPMS-SNVBAGLBSA-N 1 0 313.785 3.307 20 5 DGBDRO CC[C@H](C)[N@H+](CC)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595602576 400200280 /nfs/dbraw/zinc/20/02/80/400200280.db2.gz XKPVHSOHYQFGOE-LBPRGKRZSA-N 1 0 321.377 3.013 20 5 DGBDRO CC(C)C([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000610898868 400321681 /nfs/dbraw/zinc/32/16/81/400321681.db2.gz LUOWWDAAXUGASR-UHFFFAOYSA-N 1 0 308.378 3.232 20 5 DGBDRO Cc1cccc(C[N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])s3)C2)c1 ZINC000601239458 400271500 /nfs/dbraw/zinc/27/15/00/400271500.db2.gz LDFADUYFICMQCM-ZDUSSCGKSA-N 1 0 318.402 3.046 20 5 DGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589190138 400272171 /nfs/dbraw/zinc/27/21/71/400272171.db2.gz PPXWBHDPNAQGDC-AKTONZINSA-N 1 0 315.417 3.167 20 5 DGBDRO CCOC1CC([N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000589209181 400276680 /nfs/dbraw/zinc/27/66/80/400276680.db2.gz LXAMMUCNIJLOGN-MDWZMJQESA-N 1 0 304.390 3.497 20 5 DGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000595858269 400281747 /nfs/dbraw/zinc/28/17/47/400281747.db2.gz VEOKZFCDKLTNIA-YOGCLGLASA-N 1 0 301.346 3.499 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000595870398 400283538 /nfs/dbraw/zinc/28/35/38/400283538.db2.gz BLNSYHUZISISJD-UHFFFAOYSA-N 1 0 323.437 3.204 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC2CC1(C)C2 ZINC000595914562 400293359 /nfs/dbraw/zinc/29/33/59/400293359.db2.gz CFZPFJFGCDDETC-SGWRBKMISA-N 1 0 314.345 3.190 20 5 DGBDRO Cc1cnn([C@@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)c1 ZINC000589521521 400304094 /nfs/dbraw/zinc/30/40/94/400304094.db2.gz DWUXUOXUFGJKNP-DQOPKJQZSA-N 1 0 312.373 3.060 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]2C[NH+]2CCCCC2)cs1 ZINC000069032891 400306324 /nfs/dbraw/zinc/30/63/24/400306324.db2.gz FFLJCXWFAJDNHB-CQSZACIVSA-N 1 0 309.435 3.107 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000610799553 400308190 /nfs/dbraw/zinc/30/81/90/400308190.db2.gz SNOBLQNFTQVUEV-RRFJBIMHSA-N 1 0 303.406 3.181 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000610799049 400308223 /nfs/dbraw/zinc/30/82/23/400308223.db2.gz ZMDAFNWZOLZPBC-ZDUSSCGKSA-N 1 0 314.389 3.215 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000596070182 400308506 /nfs/dbraw/zinc/30/85/06/400308506.db2.gz PHZFLOZKRSUPPE-QGZVFWFLSA-N 1 0 321.421 3.274 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCOc3ccc(F)cc32)cc1 ZINC000610811091 400310372 /nfs/dbraw/zinc/31/03/72/400310372.db2.gz SYHKCIIZGVJSFS-INIZCTEOSA-N 1 0 316.332 3.390 20 5 DGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCOC(C)(C)C ZINC000610859602 400314942 /nfs/dbraw/zinc/31/49/42/400314942.db2.gz ATNCOKBMACBBLW-UHFFFAOYSA-N 1 0 310.394 3.111 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(O)CCC(C)CC1 ZINC000596093733 400315046 /nfs/dbraw/zinc/31/50/46/400315046.db2.gz FRXRNJQPCUYIQU-KDJCLPLCSA-N 1 0 306.406 3.495 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595784534 400258120 /nfs/dbraw/zinc/25/81/20/400258120.db2.gz AZUAFKRUOUCTOT-WBVHZDCISA-N 1 0 304.390 3.376 20 5 DGBDRO CC[C@@H]1C[N@H+](C)CCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000601188006 400258681 /nfs/dbraw/zinc/25/86/81/400258681.db2.gz APFHVMUFUHSGIB-CQSZACIVSA-N 1 0 314.389 3.064 20 5 DGBDRO CC(C)(C)[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610476275 400260886 /nfs/dbraw/zinc/26/08/86/400260886.db2.gz CKFZIGRAEYQBQZ-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000595789795 400260983 /nfs/dbraw/zinc/26/09/83/400260983.db2.gz OKQYKUFFVRSAKL-DOTOQJQBSA-N 1 0 304.390 3.376 20 5 DGBDRO CCC1(O)CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611314650 400378606 /nfs/dbraw/zinc/37/86/06/400378606.db2.gz YBMSUNDZELYRIB-ALCCZGGFSA-N 1 0 304.390 3.281 20 5 DGBDRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000611346891 400382829 /nfs/dbraw/zinc/38/28/29/400382829.db2.gz OTZVGVTYODGXLF-UHFFFAOYSA-N 1 0 314.407 3.258 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000611370387 400385716 /nfs/dbraw/zinc/38/57/16/400385716.db2.gz LSANEOQYBIUDSX-UPJWGTAASA-N 1 0 309.435 3.498 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000601962306 400388426 /nfs/dbraw/zinc/38/84/26/400388426.db2.gz CYEDTAFUYBIFBE-CYBMUJFWSA-N 1 0 312.797 3.338 20 5 DGBDRO CC[N@H+](CCNc1sccc1[N+](=O)[O-])CCC(F)(F)F ZINC000617210297 400330627 /nfs/dbraw/zinc/33/06/27/400330627.db2.gz UVMCHUKMECRMGG-UHFFFAOYSA-N 1 0 311.329 3.343 20 5 DGBDRO CC(=O)c1ccc(NC[C@@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000036725198 400391484 /nfs/dbraw/zinc/39/14/84/400391484.db2.gz RNVWFYJFHVZXHX-CQSZACIVSA-N 1 0 307.394 3.186 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000589949722 400341230 /nfs/dbraw/zinc/34/12/30/400341230.db2.gz KQEBNMZEJGVELT-GAFUQQFSSA-N 1 0 318.295 3.091 20 5 DGBDRO C[C@H]([NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000589950175 400341472 /nfs/dbraw/zinc/34/14/72/400341472.db2.gz WSBJEOHLJYZPIW-XHVZSJERSA-N 1 0 318.295 3.091 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000069787059 400344099 /nfs/dbraw/zinc/34/40/99/400344099.db2.gz HBVGGBDZMVDQQZ-CQSZACIVSA-N 1 0 316.405 3.341 20 5 DGBDRO C[NH+](C)C[C@@H]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596189868 400345562 /nfs/dbraw/zinc/34/55/62/400345562.db2.gz MLYJWULCUUPTQB-JTQLQIEISA-N 1 0 317.311 3.002 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2cnc(C)s2)cc1[N+](=O)[O-] ZINC000611183973 400356230 /nfs/dbraw/zinc/35/62/30/400356230.db2.gz SHLHGPCKZOEVHS-VIFPVBQESA-N 1 0 307.375 3.219 20 5 DGBDRO COCC1([N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000590169319 400366443 /nfs/dbraw/zinc/36/64/43/400366443.db2.gz NVMFKJVJMYWLOC-UHFFFAOYSA-N 1 0 318.295 3.224 20 5 DGBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H](C)C1 ZINC000596267994 400366968 /nfs/dbraw/zinc/36/69/68/400366968.db2.gz BDKSAVGSLDFYDO-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000611266571 400368725 /nfs/dbraw/zinc/36/87/25/400368725.db2.gz AHMXLIUIXWHMEX-HWKANZROSA-N 1 0 324.380 3.414 20 5 DGBDRO CC(=O)c1ccc(NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000041817244 400413943 /nfs/dbraw/zinc/41/39/43/400413943.db2.gz OYGVUAZHTHNERI-UHFFFAOYSA-N 1 0 319.405 3.330 20 5 DGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072698161 400398459 /nfs/dbraw/zinc/39/84/59/400398459.db2.gz HIALTNODXMIOSE-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000611464385 400405936 /nfs/dbraw/zinc/40/59/36/400405936.db2.gz JJOIJTLACMIYGI-NSHDSACASA-N 1 0 300.305 3.271 20 5 DGBDRO Cc1csc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000590658369 400410779 /nfs/dbraw/zinc/41/07/79/400410779.db2.gz RFHFWBDXMYAJRK-UHFFFAOYSA-N 1 0 320.370 3.026 20 5 DGBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C)cc1 ZINC000611565558 400422434 /nfs/dbraw/zinc/42/24/34/400422434.db2.gz YJMUQROXNYTZNE-UHFFFAOYSA-N 1 0 316.405 3.320 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000590687360 400416600 /nfs/dbraw/zinc/41/66/00/400416600.db2.gz DDJKNHURDHQTDD-CQSZACIVSA-N 1 0 314.389 3.110 20 5 DGBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756396 400428511 /nfs/dbraw/zinc/42/85/11/400428511.db2.gz UPRBOWONAZAKFF-CZUORRHYSA-N 1 0 319.361 3.029 20 5 DGBDRO CC(C)OCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000120536051 400446133 /nfs/dbraw/zinc/44/61/33/400446133.db2.gz HXCPBKHGFOMVEW-ZBFHGGJFSA-N 1 0 306.406 3.321 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000596541636 400439939 /nfs/dbraw/zinc/43/99/39/400439939.db2.gz IERPOIWUQBXWDB-UHFFFAOYSA-N 1 0 307.394 3.330 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000596543353 400441167 /nfs/dbraw/zinc/44/11/67/400441167.db2.gz SAJAFMSJVPMEJX-UHFFFAOYSA-N 1 0 300.790 3.176 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCC[NH2+]CC3)o2)cc1 ZINC000591278597 400505522 /nfs/dbraw/zinc/50/55/22/400505522.db2.gz WNCRUGXRBHNXAY-CQSZACIVSA-N 1 0 315.373 3.087 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000617867809 400470433 /nfs/dbraw/zinc/47/04/33/400470433.db2.gz FLEJXCTZXYIFKN-KQQSKNTNSA-N 1 0 303.406 3.024 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972160 400471705 /nfs/dbraw/zinc/47/17/05/400471705.db2.gz MKYPGXPKQNCACV-UJEYXKBXSA-N 1 0 302.374 3.109 20 5 DGBDRO Cc1csc([C@@H](C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602611748 400511787 /nfs/dbraw/zinc/51/17/87/400511787.db2.gz FNKBQUXJYBROJH-NSHDSACASA-N 1 0 305.403 3.296 20 5 DGBDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000124081883 400473119 /nfs/dbraw/zinc/47/31/19/400473119.db2.gz CBHUJQSQGFPWCW-KRWDZBQOSA-N 1 0 318.373 3.496 20 5 DGBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000602484462 400475791 /nfs/dbraw/zinc/47/57/91/400475791.db2.gz NAOZFAUKAUZYOC-JTQLQIEISA-N 1 0 318.295 3.082 20 5 DGBDRO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1nccs1 ZINC000602613712 400512263 /nfs/dbraw/zinc/51/22/63/400512263.db2.gz PCJBXEAYOUKXHD-SECBINFHSA-N 1 0 318.358 3.086 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000591062921 400480934 /nfs/dbraw/zinc/48/09/34/400480934.db2.gz BLUSZWVCQYBBHM-GFCCVEGCSA-N 1 0 308.353 3.365 20 5 DGBDRO Cc1cc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000591347934 400512640 /nfs/dbraw/zinc/51/26/40/400512640.db2.gz HLSPTLOPTQKJPI-INIZCTEOSA-N 1 0 300.362 3.184 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(O)CCCC1)CCCC2 ZINC000591347909 400512767 /nfs/dbraw/zinc/51/27/67/400512767.db2.gz ARVUZOLOZSXCHI-MRXNPFEDSA-N 1 0 304.390 3.257 20 5 DGBDRO Cc1nc(C)c(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000602548996 400494082 /nfs/dbraw/zinc/49/40/82/400494082.db2.gz QAVZXIRNXKJFGN-UHFFFAOYSA-N 1 0 305.403 3.043 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCOCC1CC1 ZINC000602548602 400494296 /nfs/dbraw/zinc/49/42/96/400494296.db2.gz NLXKBUGXNGABSR-UHFFFAOYSA-N 1 0 318.295 3.130 20 5 DGBDRO CCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOCC1 ZINC000602562600 400497061 /nfs/dbraw/zinc/49/70/61/400497061.db2.gz UYCXHVVZSOLMCX-UHFFFAOYSA-N 1 0 319.361 3.032 20 5 DGBDRO COc1ncc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000602561485 400497553 /nfs/dbraw/zinc/49/75/53/400497553.db2.gz RDOVYYCSAYHISP-UHFFFAOYSA-N 1 0 321.402 3.172 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000602565026 400498161 /nfs/dbraw/zinc/49/81/61/400498161.db2.gz YYWTUTQYWDHUIB-KCQAQPDRSA-N 1 0 319.405 3.001 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000602783505 400572483 /nfs/dbraw/zinc/57/24/83/400572483.db2.gz ZXBCNYXPQHZIDN-AWEZNQCLSA-N 1 0 318.377 3.310 20 5 DGBDRO CSC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602638872 400520393 /nfs/dbraw/zinc/52/03/93/400520393.db2.gz GDIFVAQBZSTATF-UHFFFAOYSA-N 1 0 307.375 3.111 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC3CC(F)(F)C3)nc2c1 ZINC000602689750 400539434 /nfs/dbraw/zinc/53/94/34/400539434.db2.gz YQWUXTJOTVPKKX-UHFFFAOYSA-N 1 0 311.288 3.261 20 5 DGBDRO CC[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582667 400542292 /nfs/dbraw/zinc/54/22/92/400542292.db2.gz SSEBEHDJMKUTEI-GDBMZVCRSA-N 1 0 303.406 3.310 20 5 DGBDRO COc1ccccc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000046055462 400546839 /nfs/dbraw/zinc/54/68/39/400546839.db2.gz JXVVBBYUKVKVCH-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)C ZINC000046064673 400548020 /nfs/dbraw/zinc/54/80/20/400548020.db2.gz HVTCOTASKKOUFS-UHFFFAOYSA-N 1 0 304.350 3.123 20 5 DGBDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000591658929 400549125 /nfs/dbraw/zinc/54/91/25/400549125.db2.gz NERUIIXHZAUGCS-GFCCVEGCSA-N 1 0 323.824 3.212 20 5 DGBDRO CCC[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OCC ZINC000602722035 400550583 /nfs/dbraw/zinc/55/05/83/400550583.db2.gz ZTHQNIUMYPCAAM-LBPRGKRZSA-N 1 0 307.350 3.031 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(SC)CC1 ZINC000602727068 400553459 /nfs/dbraw/zinc/55/34/59/400553459.db2.gz XNXLKJMTLKHITQ-UHFFFAOYSA-N 1 0 310.419 3.321 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000132083492 400555505 /nfs/dbraw/zinc/55/55/05/400555505.db2.gz KWMGHCJHSAMXMC-RHSMWYFYSA-N 1 0 314.385 3.157 20 5 DGBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000140543014 400619279 /nfs/dbraw/zinc/61/92/79/400619279.db2.gz QKYSJSAFAOIOIH-CQSZACIVSA-N 1 0 316.361 3.265 20 5 DGBDRO CC(C)c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592357037 400637954 /nfs/dbraw/zinc/63/79/54/400637954.db2.gz PBVNXGLIEFUPLH-GFCCVEGCSA-N 1 0 302.334 3.193 20 5 DGBDRO CC(C)Cn1nccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592362694 400638770 /nfs/dbraw/zinc/63/87/70/400638770.db2.gz CEKGNVSRTREJCP-ZDUSSCGKSA-N 1 0 302.378 3.298 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC4(COC4)C3)o2)c1 ZINC000597228606 400592519 /nfs/dbraw/zinc/59/25/19/400592519.db2.gz DWIZOKZKXUZYTC-UHFFFAOYSA-N 1 0 314.341 3.077 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000597254389 400600614 /nfs/dbraw/zinc/60/06/14/400600614.db2.gz BXGPSHHKSOMVIZ-XHDPSFHLSA-N 1 0 314.332 3.148 20 5 DGBDRO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000075646004 400600735 /nfs/dbraw/zinc/60/07/35/400600735.db2.gz IJAWPLVVCBZXKY-AAEUAGOBSA-N 1 0 316.361 3.227 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CCC1 ZINC000597256420 400601806 /nfs/dbraw/zinc/60/18/06/400601806.db2.gz WBRQIGLRLKTXOJ-UHFFFAOYSA-N 1 0 316.357 3.202 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592374813 400641269 /nfs/dbraw/zinc/64/12/69/400641269.db2.gz KSGFCZUEKFSUOF-JQWIXIFHSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CO1 ZINC000592379000 400641431 /nfs/dbraw/zinc/64/14/31/400641431.db2.gz JPJNYYILRJPZPU-YPMHNXCESA-N 1 0 302.330 3.122 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000592134927 400610800 /nfs/dbraw/zinc/61/08/00/400610800.db2.gz UELVXMMDUBUTKT-WFASDCNBSA-N 1 0 308.353 3.125 20 5 DGBDRO COc1ccc(C[NH2+]Cc2ccc3cnccc3c2)cc1[N+](=O)[O-] ZINC000618724070 400675160 /nfs/dbraw/zinc/67/51/60/400675160.db2.gz UHGJAIIIMXLAFR-UHFFFAOYSA-N 1 0 323.352 3.441 20 5 DGBDRO Cc1nc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000358090991 285968556 /nfs/dbraw/zinc/96/85/56/285968556.db2.gz WZNQUQREMJTEHZ-SNVBAGLBSA-N 1 0 307.375 3.089 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc2cnccc2c1 ZINC000618725784 400676276 /nfs/dbraw/zinc/67/62/76/400676276.db2.gz FUSTWWNLBZLITD-UHFFFAOYSA-N 1 0 307.353 3.475 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000157689799 400718360 /nfs/dbraw/zinc/71/83/60/400718360.db2.gz USRHMYBCZQTPBJ-CZUORRHYSA-N 1 0 303.406 3.038 20 5 DGBDRO Cc1nccc([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834424 400720830 /nfs/dbraw/zinc/72/08/30/400720830.db2.gz SYIJMIZKWWDKAB-CQSZACIVSA-N 1 0 312.373 3.073 20 5 DGBDRO O=[N+]([O-])c1ncccc1NCc1ccccc1C[NH+]1CCCC1 ZINC000603844672 400721599 /nfs/dbraw/zinc/72/15/99/400721599.db2.gz LYTFTKCQZRROJH-UHFFFAOYSA-N 1 0 312.373 3.198 20 5 DGBDRO C[N@H+](CCOc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000603839312 400721926 /nfs/dbraw/zinc/72/19/26/400721926.db2.gz OFTLCNYVYXIADQ-UHFFFAOYSA-N 1 0 300.358 3.148 20 5 DGBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000052218697 400723202 /nfs/dbraw/zinc/72/32/02/400723202.db2.gz KBZLBBDCXSVSAP-UHFFFAOYSA-N 1 0 315.373 3.279 20 5 DGBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000052218470 400723279 /nfs/dbraw/zinc/72/32/79/400723279.db2.gz HSBIDWUOMWTNRO-UHFFFAOYSA-N 1 0 315.373 3.279 20 5 DGBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1cccnc1[N+](=O)[O-] ZINC000603859403 400725781 /nfs/dbraw/zinc/72/57/81/400725781.db2.gz PQVBNPKOJYKVJV-UHFFFAOYSA-N 1 0 314.389 3.442 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603864494 400726863 /nfs/dbraw/zinc/72/68/63/400726863.db2.gz HGMGLBTZMYVKAT-IAGOWNOFSA-N 1 0 323.396 3.163 20 5 DGBDRO C[C@@](CO)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000077655987 400735544 /nfs/dbraw/zinc/73/55/44/400735544.db2.gz HGWPSOOGRIQARS-INIZCTEOSA-N 1 0 310.369 3.155 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000164541973 400750247 /nfs/dbraw/zinc/75/02/47/400750247.db2.gz IODAONKHYMXUPS-GFCCVEGCSA-N 1 0 307.394 3.208 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC4(CC4(F)F)CC3)nc2c1 ZINC000593071835 400752431 /nfs/dbraw/zinc/75/24/31/400752431.db2.gz COAXMJGLVPNESF-UHFFFAOYSA-N 1 0 322.315 3.092 20 5 DGBDRO COc1cccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000051325295 400700351 /nfs/dbraw/zinc/70/03/51/400700351.db2.gz KAYWDBBDZHVMAI-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)nc12 ZINC000156339398 400709854 /nfs/dbraw/zinc/70/98/54/400709854.db2.gz WSOMDZJIRSHAGT-AWEZNQCLSA-N 1 0 324.384 3.444 20 5 DGBDRO Cc1cc([C@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)on1 ZINC000052010384 400712954 /nfs/dbraw/zinc/71/29/54/400712954.db2.gz FGNKQIHXBJJHRN-OAHLLOKOSA-N 1 0 317.345 3.107 20 5 DGBDRO Cc1cc([C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])on1 ZINC000052011390 400714086 /nfs/dbraw/zinc/71/40/86/400714086.db2.gz QKODXHMBHLZFJT-CYBMUJFWSA-N 1 0 317.345 3.107 20 5 DGBDRO Cc1cnc(NCCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000078631161 400816300 /nfs/dbraw/zinc/81/63/00/400816300.db2.gz FBJREVOEJMQCAE-CQSZACIVSA-N 1 0 306.410 3.365 20 5 DGBDRO CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000053378185 400780475 /nfs/dbraw/zinc/78/04/75/400780475.db2.gz CMTDVEAEKDIZJH-ZDUSSCGKSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000604525336 400783841 /nfs/dbraw/zinc/78/38/41/400783841.db2.gz PWIUEKVNHJJKES-UHFFFAOYSA-N 1 0 306.284 3.248 20 5 DGBDRO CN(CC[NH+]1CCCCC1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000593515643 400869805 /nfs/dbraw/zinc/86/98/05/400869805.db2.gz PHYPFTNJAZXIPF-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO CCOc1cncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000598641861 400848504 /nfs/dbraw/zinc/84/85/04/400848504.db2.gz XGMPCTNOPJDXRR-LBPRGKRZSA-N 1 0 301.346 3.239 20 5 DGBDRO CC(C)c1ccc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721453 400865277 /nfs/dbraw/zinc/86/52/77/400865277.db2.gz VTJSUVJJSWIIQW-WMLDXEAASA-N 1 0 303.406 3.031 20 5 DGBDRO Cc1cccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C(C)C)c1 ZINC000599043623 400936531 /nfs/dbraw/zinc/93/65/31/400936531.db2.gz YWOBVEKFPGHZTP-INIZCTEOSA-N 1 0 302.378 3.087 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCCOC1)CCC2 ZINC000599057353 400942354 /nfs/dbraw/zinc/94/23/54/400942354.db2.gz MWVYCILUKOYNSK-CXAGYDPISA-N 1 0 304.390 3.379 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cccnc1C ZINC000599072462 400950703 /nfs/dbraw/zinc/95/07/03/400950703.db2.gz FDSDAKBUSDIYDD-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[NH+]1CCCCC1 ZINC000593702298 400896568 /nfs/dbraw/zinc/89/65/68/400896568.db2.gz LCUULIRJXWOWCS-CLFYSBASSA-N 1 0 303.406 3.026 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)c1ccsc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619746182 400897598 /nfs/dbraw/zinc/89/75/98/400897598.db2.gz BJEMYYUMXDWAGG-GHMZBOCLSA-N 1 0 319.386 3.334 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2CCCF)cc1 ZINC000619753734 400898318 /nfs/dbraw/zinc/89/83/18/400898318.db2.gz HZCPTWGCBLMCLE-CZUORRHYSA-N 1 0 310.369 3.482 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000594027582 400952492 /nfs/dbraw/zinc/95/24/92/400952492.db2.gz WPQVFDJNCGHCPO-KRWDZBQOSA-N 1 0 304.390 3.171 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000598994788 400923035 /nfs/dbraw/zinc/92/30/35/400923035.db2.gz RZTYOCIFIQYHRP-IUYQLWOBSA-N 1 0 317.433 3.320 20 5 DGBDRO COc1ccc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000598995394 400923481 /nfs/dbraw/zinc/92/34/81/400923481.db2.gz UGMUGMZJPCOZQQ-QGZVFWFLSA-N 1 0 322.405 3.024 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCCC13CC3)OCCO2 ZINC000599016053 400927765 /nfs/dbraw/zinc/92/77/65/400927765.db2.gz ISYAJWMSICXASQ-CYBMUJFWSA-N 1 0 318.373 3.036 20 5 DGBDRO CC(C)CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000080248727 400935964 /nfs/dbraw/zinc/93/59/64/400935964.db2.gz BRFKRBMISBPDEM-UHFFFAOYSA-N 1 0 306.410 3.160 20 5 DGBDRO CCOc1cc(NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599166541 400984069 /nfs/dbraw/zinc/98/40/69/400984069.db2.gz XNTMWCAZPHCCEB-HNNXBMFYSA-N 1 0 319.405 3.422 20 5 DGBDRO CCO[C@@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000599312909 401019077 /nfs/dbraw/zinc/01/90/77/401019077.db2.gz YTTMCCUJCCOUDL-KRWDZBQOSA-N 1 0 304.390 3.374 20 5 DGBDRO CCOc1cc(NC[C@@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599138627 400973047 /nfs/dbraw/zinc/97/30/47/400973047.db2.gz HOVGFTVDFAOXJU-ZDUSSCGKSA-N 1 0 307.394 3.137 20 5 DGBDRO C[N@@H+]1CCCC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000599139477 400973754 /nfs/dbraw/zinc/97/37/54/400973754.db2.gz OQAYUDJEVFQBHO-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@@H]1C[C@@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000599444465 401051287 /nfs/dbraw/zinc/05/12/87/401051287.db2.gz XFXRSRLVPVSLPG-MWQQHZPXSA-N 1 0 318.417 3.356 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1 ZINC000594496870 401079990 /nfs/dbraw/zinc/07/99/90/401079990.db2.gz XZCKJQMIJNXVBJ-JKSUJKDBSA-N 1 0 304.390 3.377 20 5 DGBDRO CCOc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594600011 401125946 /nfs/dbraw/zinc/12/59/46/401125946.db2.gz LBNBCUGBBONJEM-GJZGRUSLSA-N 1 0 319.405 3.422 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000060569231 401126678 /nfs/dbraw/zinc/12/66/78/401126678.db2.gz GQKLDGVHKKBDJA-UHFFFAOYSA-N 1 0 317.433 3.293 20 5 DGBDRO COc1cccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594603901 401128067 /nfs/dbraw/zinc/12/80/67/401128067.db2.gz WIQZQZRGXPAYLE-OCCSQVGLSA-N 1 0 305.378 3.032 20 5 DGBDRO C[C@H](O)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000594615355 401135685 /nfs/dbraw/zinc/13/56/85/401135685.db2.gz NGXMTEUSUHUDIA-LBPRGKRZSA-N 1 0 316.357 3.200 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2c2ccccc2)n1 ZINC000273837758 401140871 /nfs/dbraw/zinc/14/08/71/401140871.db2.gz INRVMHUHUKIUTK-HNNXBMFYSA-N 1 0 300.362 3.019 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC000273841687 401141026 /nfs/dbraw/zinc/14/10/26/401141026.db2.gz JKMKBGVDWJSWRU-INIZCTEOSA-N 1 0 300.362 3.019 20 5 DGBDRO Cc1cnc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c(C)c1 ZINC000594509556 401086274 /nfs/dbraw/zinc/08/62/74/401086274.db2.gz JSMSUODGDMTBMD-QGZVFWFLSA-N 1 0 311.385 3.426 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594511919 401089055 /nfs/dbraw/zinc/08/90/55/401089055.db2.gz HIYVJYPJOYHSHH-NEPJUHHUSA-N 1 0 308.378 3.223 20 5 DGBDRO CC1(C)CCC[C@](CO)([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000599596351 401089865 /nfs/dbraw/zinc/08/98/65/401089865.db2.gz RRAOBDFTTKOOTB-INIZCTEOSA-N 1 0 310.369 3.155 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCC1CC1 ZINC000594511803 401089882 /nfs/dbraw/zinc/08/98/82/401089882.db2.gz PWZGBNQICNJDQI-LBPRGKRZSA-N 1 0 305.378 3.092 20 5 DGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2-n2ccnc2)s1 ZINC000615496345 401091795 /nfs/dbraw/zinc/09/17/95/401091795.db2.gz XZDRMZNHGCLQFM-UHFFFAOYSA-N 1 0 300.343 3.454 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594519391 401097837 /nfs/dbraw/zinc/09/78/37/401097837.db2.gz KHYIOSPHMZUKJH-LXZKKBNFSA-N 1 0 303.406 3.262 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594519396 401097945 /nfs/dbraw/zinc/09/79/45/401097945.db2.gz KHYIOSPHMZUKJH-YSVLISHTSA-N 1 0 303.406 3.262 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000594520944 401099037 /nfs/dbraw/zinc/09/90/37/401099037.db2.gz RUICPJFBACJFEY-BQFCYCMXSA-N 1 0 315.417 3.189 20 5 DGBDRO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000615833513 401160712 /nfs/dbraw/zinc/16/07/12/401160712.db2.gz VASDHWZUSNJYPM-SCZPIIQISA-N 1 0 304.390 3.357 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnn2CC2CC2)cc1[N+](=O)[O-] ZINC000594941828 401201398 /nfs/dbraw/zinc/20/13/98/401201398.db2.gz VANMGELBKHMXIL-ZDUSSCGKSA-N 1 0 314.389 3.361 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000594956139 401207454 /nfs/dbraw/zinc/20/74/54/401207454.db2.gz HJPULEPYGSVIEK-SCOADAFUSA-N 1 0 317.433 3.461 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCC1CCC1)OCCO2 ZINC000594978249 401215697 /nfs/dbraw/zinc/21/56/97/401215697.db2.gz RNKBMWVCDSCCEB-UHFFFAOYSA-N 1 0 306.362 3.036 20 5 DGBDRO Cn1cc(C[NH2+]CCC(C)(C)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594973119 401216257 /nfs/dbraw/zinc/21/62/57/401216257.db2.gz MSFDQFTXFKXVRC-UHFFFAOYSA-N 1 0 320.368 3.223 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000594977605 401216464 /nfs/dbraw/zinc/21/64/64/401216464.db2.gz LUUCIHVQJDFTHX-OAHLLOKOSA-N 1 0 303.406 3.091 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000595001108 401223816 /nfs/dbraw/zinc/22/38/16/401223816.db2.gz QKNWIRHQWNIRKW-RDTXWAMCSA-N 1 0 314.385 3.157 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@H](O)C3)o2)c(Cl)c1 ZINC000595000775 401224081 /nfs/dbraw/zinc/22/40/81/401224081.db2.gz LJUSDVMOIRWOIJ-HOMQSWHASA-N 1 0 322.748 3.121 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090654389 401270562 /nfs/dbraw/zinc/27/05/62/401270562.db2.gz OXNFMJLHFOEBBQ-SUNYJGFJSA-N 1 0 314.385 3.238 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ncccc1F)C1CC1 ZINC000090720602 401272335 /nfs/dbraw/zinc/27/23/35/401272335.db2.gz RYNQSURUEBHWLI-HNNXBMFYSA-N 1 0 315.348 3.240 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000064114290 401229566 /nfs/dbraw/zinc/22/95/66/401229566.db2.gz JBCZQCSPHJNGTA-ZDUSSCGKSA-N 1 0 304.350 3.078 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1 ZINC000359081387 286232444 /nfs/dbraw/zinc/23/24/44/286232444.db2.gz AVLHBHUEENPUMU-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO CCC(=O)c1ccc(NCCC[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC000359373543 286295149 /nfs/dbraw/zinc/29/51/49/286295149.db2.gz ASUMTGOYJNWTTF-UHFFFAOYSA-N 1 0 307.394 3.331 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(OC)CCCCC1 ZINC000359697525 286363339 /nfs/dbraw/zinc/36/33/39/286363339.db2.gz SMDWHAROSSEHDW-UHFFFAOYSA-N 1 0 308.378 3.042 20 5 DGBDRO CCN(C)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000359787494 286380244 /nfs/dbraw/zinc/38/02/44/286380244.db2.gz AQYZVWHIZRPQIX-UHFFFAOYSA-N 1 0 314.389 3.044 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC3(CCOCC3)CC2)cs1 ZINC000360016704 286408709 /nfs/dbraw/zinc/40/87/09/286408709.db2.gz BQNZFTLDLPWAHK-UHFFFAOYSA-N 1 0 310.419 3.485 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000360677151 286519505 /nfs/dbraw/zinc/51/95/05/286519505.db2.gz VTJRLDLURARCJR-STQMWFEESA-N 1 0 306.410 3.078 20 5 DGBDRO CO[C@](C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000361012868 286576650 /nfs/dbraw/zinc/57/66/50/286576650.db2.gz YKWSPTUUEPEJSS-DLBZAZTESA-N 1 0 304.390 3.377 20 5 DGBDRO CCc1cnccc1[C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000361119871 286601806 /nfs/dbraw/zinc/60/18/06/286601806.db2.gz NRUBJHDLWRGATR-ZDUSSCGKSA-N 1 0 315.373 3.282 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000362667749 286847080 /nfs/dbraw/zinc/84/70/80/286847080.db2.gz HHISYUOTEJOVTF-KGLIPLIRSA-N 1 0 300.362 3.038 20 5 DGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000185653108 165011400 /nfs/dbraw/zinc/01/14/00/165011400.db2.gz SLLBQBYFTLBIMZ-WFASDCNBSA-N 1 0 319.405 3.352 20 5 DGBDRO COc1cccc(NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000185721220 165014379 /nfs/dbraw/zinc/01/43/79/165014379.db2.gz JLXOCKGGMXRIHB-ZDUSSCGKSA-N 1 0 307.394 3.280 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000186356643 165039904 /nfs/dbraw/zinc/03/99/04/165039904.db2.gz NKKQIUCJLCJFLV-RDJZCZTQSA-N 1 0 322.405 3.287 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CCSCC1 ZINC000187162517 165078119 /nfs/dbraw/zinc/07/81/19/165078119.db2.gz ZGLMYMSODKLDHX-NSHDSACASA-N 1 0 310.419 3.225 20 5 DGBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000191663526 165262717 /nfs/dbraw/zinc/26/27/17/165262717.db2.gz BUKJAJPKCDRHIB-MRXNPFEDSA-N 1 0 310.369 3.107 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000192558247 165296398 /nfs/dbraw/zinc/29/63/98/165296398.db2.gz XNLSEBSYSSDLBY-LBPRGKRZSA-N 1 0 323.441 3.042 20 5 DGBDRO COc1cc(N[C@H](C[NH3+])C2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000262560690 165809856 /nfs/dbraw/zinc/80/98/56/165809856.db2.gz VJIHFIVSRCJDSI-CYBMUJFWSA-N 1 0 311.357 3.062 20 5 DGBDRO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000171682499 432159461 /nfs/dbraw/zinc/15/94/61/432159461.db2.gz QRLPMVSNCMAAHN-UHFFFAOYSA-N 1 0 311.769 3.061 20 5 DGBDRO C[C@H]1CSCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190425473 432155020 /nfs/dbraw/zinc/15/50/20/432155020.db2.gz SDXWDKXMZHDUNC-SNVBAGLBSA-N 1 0 300.811 3.433 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000182073425 432156267 /nfs/dbraw/zinc/15/62/67/432156267.db2.gz FHNRCRBMAOEZFH-GFCCVEGCSA-N 1 0 320.780 3.351 20 5 DGBDRO C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000129481258 196051870 /nfs/dbraw/zinc/05/18/70/196051870.db2.gz QVNSIMJIHBOKSE-KRWDZBQOSA-N 1 0 316.357 3.202 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246927395 432181988 /nfs/dbraw/zinc/18/19/88/432181988.db2.gz GXKKBCPCLNANBN-UKRRQHHQSA-N 1 0 305.422 3.286 20 5 DGBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000269629329 432189489 /nfs/dbraw/zinc/18/94/89/432189489.db2.gz HGNMHAUWXFXJLM-CYBMUJFWSA-N 1 0 300.786 3.087 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269649116 432191758 /nfs/dbraw/zinc/19/17/58/432191758.db2.gz QAQYRYSGDFWQQW-NSHDSACASA-N 1 0 313.348 3.041 20 5 DGBDRO C[NH+](C)[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000269660375 432193687 /nfs/dbraw/zinc/19/36/87/432193687.db2.gz TXFMLYPNSWASRP-GFCCVEGCSA-N 1 0 311.288 3.181 20 5 DGBDRO C[C@H](c1cccs1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269671941 432196161 /nfs/dbraw/zinc/19/61/61/432196161.db2.gz OBZHBJJQJCDITN-RISCZKNCSA-N 1 0 306.387 3.383 20 5 DGBDRO Cc1cccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000269677124 432196483 /nfs/dbraw/zinc/19/64/83/432196483.db2.gz PPVAXBSSOWIMGU-KRWDZBQOSA-N 1 0 300.358 3.069 20 5 DGBDRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129885957 196083098 /nfs/dbraw/zinc/08/30/98/196083098.db2.gz CMVAEYPBVZJNSU-QWRGUYRKSA-N 1 0 311.357 3.087 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCc2cn3ccccc3n2)cccc1[N+](=O)[O-] ZINC000130618184 196096377 /nfs/dbraw/zinc/09/63/77/196096377.db2.gz GXSNXKHPTIDLFG-AWEZNQCLSA-N 1 0 324.384 3.444 20 5 DGBDRO Cc1c(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000247361148 432225182 /nfs/dbraw/zinc/22/51/82/432225182.db2.gz HIXWXGBXWYIPAP-GUYCJALGSA-N 1 0 314.389 3.183 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000151117171 432222422 /nfs/dbraw/zinc/22/24/22/432222422.db2.gz CFJAEFSWEFTVPU-LSDHHAIUSA-N 1 0 305.422 3.286 20 5 DGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](C)OC ZINC000291085811 222125305 /nfs/dbraw/zinc/12/53/05/222125305.db2.gz OKYFZLSAQUFCEW-SNVBAGLBSA-N 1 0 318.320 3.053 20 5 DGBDRO CO[C@@](C)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000291152080 222176050 /nfs/dbraw/zinc/17/60/50/222176050.db2.gz ILCKCUPMYDCDFH-WMZOPIPTSA-N 1 0 318.417 3.321 20 5 DGBDRO CO[C@@](C)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000291152068 222176714 /nfs/dbraw/zinc/17/67/14/222176714.db2.gz ILCKCUPMYDCDFH-AEFFLSMTSA-N 1 0 318.417 3.321 20 5 DGBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420219441 288504526 /nfs/dbraw/zinc/50/45/26/288504526.db2.gz QWGKKWXQRDHURW-SFYZADRCSA-N 1 0 304.177 3.075 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177536526 228331178 /nfs/dbraw/zinc/33/11/78/228331178.db2.gz ZSMYXVRIESZTPW-MGPQQGTHSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177536475 228331284 /nfs/dbraw/zinc/33/12/84/228331284.db2.gz ZSMYXVRIESZTPW-MELADBBJSA-N 1 0 317.389 3.044 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CNC2CC[NH+](C3CCC3)CC2)c1 ZINC000299654966 229304239 /nfs/dbraw/zinc/30/42/39/229304239.db2.gz UFEDDGSGVVCQTH-UHFFFAOYSA-N 1 0 323.824 3.355 20 5 DGBDRO Cc1cnc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301453059 229674052 /nfs/dbraw/zinc/67/40/52/229674052.db2.gz QXTDLQSECJIADK-ZIAGYGMSSA-N 1 0 306.410 3.078 20 5 DGBDRO Cc1cc(NCC[N@@H+](C)C(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000302016845 230037287 /nfs/dbraw/zinc/03/72/87/230037287.db2.gz LZMYLZNTGSPAJD-UHFFFAOYSA-N 1 0 302.378 3.204 20 5 DGBDRO Cc1cc(N(C)CC2(O)CCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302077247 230083892 /nfs/dbraw/zinc/08/38/92/230083892.db2.gz JTCRAXVBZBCWAB-UHFFFAOYSA-N 1 0 315.373 3.193 20 5 DGBDRO Cc1nn(Cc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000413001600 230108448 /nfs/dbraw/zinc/10/84/48/230108448.db2.gz LHMJGFKQSDVCMC-UHFFFAOYSA-N 1 0 314.389 3.134 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413030414 230114627 /nfs/dbraw/zinc/11/46/27/230114627.db2.gz VGWYNWYUTAUUGS-MJBXVCDLSA-N 1 0 319.405 3.411 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413165975 230143447 /nfs/dbraw/zinc/14/34/47/230143447.db2.gz FJJZSZJMUBUPQC-CHWSQXEVSA-N 1 0 314.389 3.428 20 5 DGBDRO CCc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000319889599 263899906 /nfs/dbraw/zinc/89/99/06/263899906.db2.gz DABORJLOMOHKNQ-UHFFFAOYSA-N 1 0 300.358 3.326 20 5 DGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000347307987 264194402 /nfs/dbraw/zinc/19/44/02/264194402.db2.gz JYWJNJRXIZOEFG-DOMZBBRYSA-N 1 0 323.824 3.307 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCCCO)C1CC1 ZINC000347332509 264198776 /nfs/dbraw/zinc/19/87/76/264198776.db2.gz GJJBVRQBIYPOQV-KAMYIIQDSA-N 1 0 304.390 3.235 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000347384743 264210757 /nfs/dbraw/zinc/21/07/57/264210757.db2.gz YVICUPCNPIFWQO-WQMJKPAKSA-N 1 0 304.390 3.091 20 5 DGBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)s1 ZINC000347595454 264248127 /nfs/dbraw/zinc/24/81/27/264248127.db2.gz BPAOROIRVPHRDW-VIFPVBQESA-N 1 0 314.798 3.247 20 5 DGBDRO CC(C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000348311415 264386979 /nfs/dbraw/zinc/38/69/79/264386979.db2.gz CAHQZBKYZZRIIM-UHFFFAOYSA-N 1 0 319.386 3.120 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C(C)C ZINC000349211506 264499129 /nfs/dbraw/zinc/49/91/29/264499129.db2.gz YEKPBABBTHHGIV-CHWSQXEVSA-N 1 0 312.435 3.072 20 5 DGBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1F ZINC000350118917 264583891 /nfs/dbraw/zinc/58/38/91/264583891.db2.gz VHFCWRZPLZKJQW-UHFFFAOYSA-N 1 0 320.368 3.233 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000352362522 265016099 /nfs/dbraw/zinc/01/60/99/265016099.db2.gz VYQLZVFRVKREQL-CABCVRRESA-N 1 0 312.373 3.182 20 5 DGBDRO CCOc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352571636 265091935 /nfs/dbraw/zinc/09/19/35/265091935.db2.gz XCNIKCQCPZRNKG-UHFFFAOYSA-N 1 0 315.373 3.063 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1Cc3ccccc31)CCO2 ZINC000352709022 265137364 /nfs/dbraw/zinc/13/73/64/265137364.db2.gz ISODWXNHUDKZNW-CQSZACIVSA-N 1 0 310.353 3.129 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353031569 265273287 /nfs/dbraw/zinc/27/32/87/265273287.db2.gz VTGVRHHFBHXRBB-MNOVXSKESA-N 1 0 300.305 3.217 20 5 DGBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353162923 265323251 /nfs/dbraw/zinc/32/32/51/265323251.db2.gz BIYXYBOMWPYVPF-NVXWUHKLSA-N 1 0 322.405 3.002 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000353298424 265379555 /nfs/dbraw/zinc/37/95/55/265379555.db2.gz JGPFBCBLURMIOH-CYBMUJFWSA-N 1 0 322.409 3.145 20 5 DGBDRO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CCC1CC1 ZINC000355060038 265956602 /nfs/dbraw/zinc/95/66/02/265956602.db2.gz HILWPFHBIAIYRC-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO CCOC(=O)CC(C)(C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000355363558 266051573 /nfs/dbraw/zinc/05/15/73/266051573.db2.gz IUVIDNIRDRVLNL-NTMALXAHSA-N 1 0 320.389 3.272 20 5 DGBDRO COCC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000355784788 266185354 /nfs/dbraw/zinc/18/53/54/266185354.db2.gz VESAJDJRZJWDMT-CQSZACIVSA-N 1 0 308.309 3.194 20 5 DGBDRO Cc1c(CN(C)CC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000356345103 266360630 /nfs/dbraw/zinc/36/06/30/266360630.db2.gz LWNXCZYLMJEKQM-UHFFFAOYSA-N 1 0 307.438 3.454 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000151462547 432248698 /nfs/dbraw/zinc/24/86/98/432248698.db2.gz WBHGYZSZQYDLIR-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359907524 271017242 /nfs/dbraw/zinc/01/72/42/271017242.db2.gz WPKSZIDRTWABEG-JTQLQIEISA-N 1 0 317.311 3.286 20 5 DGBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000368066014 271129427 /nfs/dbraw/zinc/12/94/27/271129427.db2.gz VYFQMCPFIZNBJI-HNNXBMFYSA-N 1 0 312.797 3.089 20 5 DGBDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000369139882 271245801 /nfs/dbraw/zinc/24/58/01/271245801.db2.gz MCDFPTXTYPEBGC-CABCVRRESA-N 1 0 314.389 3.144 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCc3ccccc3)CC2)n1 ZINC000373243288 271615411 /nfs/dbraw/zinc/61/54/11/271615411.db2.gz INNFTTIAVBIFPE-UHFFFAOYSA-N 1 0 314.389 3.061 20 5 DGBDRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000183046104 432252898 /nfs/dbraw/zinc/25/28/98/432252898.db2.gz LJTZMPNPVFKYIA-WCQYABFASA-N 1 0 307.394 3.256 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432322018 273539882 /nfs/dbraw/zinc/53/98/82/273539882.db2.gz XKJWRPLSFFQNHI-UHFFFAOYSA-N 1 0 314.389 3.110 20 5 DGBDRO CO[C@@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000338544618 274060591 /nfs/dbraw/zinc/06/05/91/274060591.db2.gz RILPEDMALCLRKY-SFHVURJKSA-N 1 0 312.369 3.341 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261712004 274278545 /nfs/dbraw/zinc/27/85/45/274278545.db2.gz DQGSDMZXTSQLFC-RRQGHBQHSA-N 1 0 311.385 3.083 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000332144207 274318568 /nfs/dbraw/zinc/31/85/68/274318568.db2.gz HIIGWCHRQZJLMD-MDZLAQPJSA-N 1 0 302.378 3.385 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000447546466 274393540 /nfs/dbraw/zinc/39/35/40/274393540.db2.gz WBZVJYBEEINEKY-HACGYAERSA-N 1 0 303.406 3.045 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332037795 274394346 /nfs/dbraw/zinc/39/43/46/274394346.db2.gz XHIDZMGARXBPBR-IGCXYCKISA-N 1 0 317.433 3.390 20 5 DGBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000265564012 274704831 /nfs/dbraw/zinc/70/48/31/274704831.db2.gz JYFGTSFRXQQHOF-OAHLLOKOSA-N 1 0 303.406 3.358 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN(C3CC3)CC1)CCC2 ZINC000192627087 275038028 /nfs/dbraw/zinc/03/80/28/275038028.db2.gz VTLRKMHEJGQLDT-GOSISDBHSA-N 1 0 315.417 3.189 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOCC(F)F)CCCC2 ZINC000417329339 275038215 /nfs/dbraw/zinc/03/82/15/275038215.db2.gz JKSJYNRWGTZTLE-CQSZACIVSA-N 1 0 314.332 3.234 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000492977067 275039462 /nfs/dbraw/zinc/03/94/62/275039462.db2.gz OTSNXTUIAICVNA-ZDUSSCGKSA-N 1 0 323.824 3.308 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCOCC(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433081771 275860666 /nfs/dbraw/zinc/86/06/66/275860666.db2.gz HHEIFNQXCIFOLH-CYBMUJFWSA-N 1 0 314.332 3.189 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279066232 275861725 /nfs/dbraw/zinc/86/17/25/275861725.db2.gz LHSFXDOIUMQFKP-MLGOLLRUSA-N 1 0 304.390 3.476 20 5 DGBDRO CCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181659258 276044631 /nfs/dbraw/zinc/04/46/31/276044631.db2.gz VKFGEJGMRHOGME-HNNXBMFYSA-N 1 0 324.331 3.201 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415134940 276052979 /nfs/dbraw/zinc/05/29/79/276052979.db2.gz WNHBPHSGSVNJOW-HIFRSBDPSA-N 1 0 305.422 3.135 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1nc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000123062227 276119698 /nfs/dbraw/zinc/11/96/98/276119698.db2.gz HJAVEJNRYBZMIH-CQSZACIVSA-N 1 0 318.377 3.386 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432138142 276831989 /nfs/dbraw/zinc/83/19/89/276831989.db2.gz WGMKIBNWMCNYAJ-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO COC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000180198684 277469017 /nfs/dbraw/zinc/46/90/17/277469017.db2.gz GNQHRKOXDICLJW-HNNXBMFYSA-N 1 0 304.390 3.075 20 5 DGBDRO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000068448952 431127822 /nfs/dbraw/zinc/12/78/22/431127822.db2.gz BIOHZXOYNUAMPJ-UHFFFAOYSA-N 1 0 305.378 3.186 20 5 DGBDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000108397957 431140818 /nfs/dbraw/zinc/14/08/18/431140818.db2.gz SIEUNRCBMJBBLH-OAHLLOKOSA-N 1 0 322.405 3.385 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)C1CCCCC1 ZINC000414831231 279275038 /nfs/dbraw/zinc/27/50/38/279275038.db2.gz CDFQTHRALLAIHD-PBHICJAKSA-N 1 0 319.449 3.413 20 5 DGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)CC1 ZINC000068837987 431144381 /nfs/dbraw/zinc/14/43/81/431144381.db2.gz YHUJUZXJOAEXMY-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C)CC2)cccc1[N+](=O)[O-] ZINC000068829627 431144436 /nfs/dbraw/zinc/14/44/36/431144436.db2.gz RJXPHHVLGGLPTE-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000068838618 431145179 /nfs/dbraw/zinc/14/51/79/431145179.db2.gz JRFRZZYQBWPCBU-HNNXBMFYSA-N 1 0 301.346 3.437 20 5 DGBDRO C[NH+]1CCC(CCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112078562 431247262 /nfs/dbraw/zinc/24/72/62/431247262.db2.gz ANSFGROKINBLCX-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000113335975 431341897 /nfs/dbraw/zinc/34/18/97/431341897.db2.gz KFQCTTOESJDPLE-UHFFFAOYSA-N 1 0 303.387 3.261 20 5 DGBDRO CCC[C@]1(C)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072896161 431355931 /nfs/dbraw/zinc/35/59/31/431355931.db2.gz XSHVHSQSVAIRLN-QGZVFWFLSA-N 1 0 319.405 3.096 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCC[C@@H]3O)o2)cc1 ZINC000074371019 431415682 /nfs/dbraw/zinc/41/56/82/431415682.db2.gz MRPGLIDKSVQURF-HOTGVXAUSA-N 1 0 316.357 3.248 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000075997302 431510409 /nfs/dbraw/zinc/51/04/09/431510409.db2.gz LAMDDRQMOQNVGK-UHFFFAOYSA-N 1 0 318.295 3.248 20 5 DGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1cccs1 ZINC000075966619 431511336 /nfs/dbraw/zinc/51/13/36/431511336.db2.gz UMFDZTDAWYNPLA-UHFFFAOYSA-N 1 0 306.387 3.210 20 5 DGBDRO CC[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000117345690 431558465 /nfs/dbraw/zinc/55/84/65/431558465.db2.gz HFSWLRTYAXPSSB-AWEZNQCLSA-N 1 0 319.405 3.070 20 5 DGBDRO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000117349030 431560242 /nfs/dbraw/zinc/56/02/42/431560242.db2.gz UELNFBCGCXOJSY-CQSZACIVSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000343609067 279997087 /nfs/dbraw/zinc/99/70/87/279997087.db2.gz MENIQOBQTCZWLB-AAEUAGOBSA-N 1 0 309.797 3.311 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCSCC1)C1CC1 ZINC000180508832 280374451 /nfs/dbraw/zinc/37/44/51/280374451.db2.gz DCKPQRVYBSYTDO-OAHLLOKOSA-N 1 0 306.431 3.401 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161893529 280375507 /nfs/dbraw/zinc/37/55/07/280375507.db2.gz JWSBEVAVVZJCII-HIFRSBDPSA-N 1 0 301.390 3.048 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000025407340 431653505 /nfs/dbraw/zinc/65/35/05/431653505.db2.gz HSWBCIBYPNKGTH-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000026476932 431674556 /nfs/dbraw/zinc/67/45/56/431674556.db2.gz NEHPPDBJGCMINC-CZUORRHYSA-N 1 0 319.405 3.068 20 5 DGBDRO Cc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420230208 280577298 /nfs/dbraw/zinc/57/72/98/280577298.db2.gz IGTLDBAXHSUPSV-UWVGGRQHSA-N 1 0 317.311 3.096 20 5 DGBDRO CC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000030144601 431733317 /nfs/dbraw/zinc/73/33/17/431733317.db2.gz KJJIWQQERWLZRB-AWEZNQCLSA-N 1 0 319.405 3.354 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122133195 431813636 /nfs/dbraw/zinc/81/36/36/431813636.db2.gz JSPYKHDCPAHRAO-DOMZBBRYSA-N 1 0 303.362 3.141 20 5 DGBDRO CN(C)[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000037562538 431847963 /nfs/dbraw/zinc/84/79/63/431847963.db2.gz OUXGYUOXNCLRMN-CQSZACIVSA-N 1 0 305.403 3.049 20 5 DGBDRO COc1ccc(C[NH2+]CCc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000088519818 431857982 /nfs/dbraw/zinc/85/79/82/431857982.db2.gz PZYCOSGKATXUNQ-UHFFFAOYSA-N 1 0 318.348 3.383 20 5 DGBDRO CC[NH2+]Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000123483048 431866696 /nfs/dbraw/zinc/86/66/96/431866696.db2.gz GNMVHJBWUNUHAZ-UHFFFAOYSA-N 1 0 319.386 3.327 20 5 DGBDRO Cc1ncc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000123645617 431870343 /nfs/dbraw/zinc/87/03/43/431870343.db2.gz MWHXEXINSLMOMJ-HNNXBMFYSA-N 1 0 317.414 3.471 20 5 DGBDRO Cc1cc(C(=O)Nc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000047452729 431910278 /nfs/dbraw/zinc/91/02/78/431910278.db2.gz VMJIHQZRZUFZSW-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000054676549 431972246 /nfs/dbraw/zinc/97/22/46/431972246.db2.gz PMZGICJBJMZXNR-SMDDNHRTSA-N 1 0 316.361 3.227 20 5 DGBDRO CC(C)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000052535604 431956651 /nfs/dbraw/zinc/95/66/51/431956651.db2.gz GGWQGJWXQYICSF-UHFFFAOYSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CC1)OCCCO2 ZINC000292993896 281019782 /nfs/dbraw/zinc/01/97/82/281019782.db2.gz MMMHUOSEMXIPQY-CQSZACIVSA-N 1 0 320.389 3.193 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCO2)o1 ZINC000102419589 431993533 /nfs/dbraw/zinc/99/35/33/431993533.db2.gz POHQTRPLWXAOMM-GFCCVEGCSA-N 1 0 302.330 3.123 20 5 DGBDRO CC1(C)C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])c2cc([N+](=O)[O-])ccc21 ZINC000331992805 281359251 /nfs/dbraw/zinc/35/92/51/281359251.db2.gz MSJFXTVMNPPANQ-OAGGEKHMSA-N 1 0 303.406 3.177 20 5 DGBDRO Cc1ccccc1[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000341680477 281386122 /nfs/dbraw/zinc/38/61/22/281386122.db2.gz DDGKMQICXTUKMD-OAHLLOKOSA-N 1 0 302.378 3.124 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)C1CC1 ZINC000248173180 432273503 /nfs/dbraw/zinc/27/35/03/432273503.db2.gz VDUZXAIRCXCBAF-XYJFISCASA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000191587473 432281191 /nfs/dbraw/zinc/28/11/91/432281191.db2.gz JKBSLJDQERJDJV-WMLDXEAASA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000173555739 432287060 /nfs/dbraw/zinc/28/70/60/432287060.db2.gz HDULZPMMDJAXCT-BBRMVZONSA-N 1 0 317.389 3.106 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128604352 431997119 /nfs/dbraw/zinc/99/71/19/431997119.db2.gz BRXLACUKGKWFMF-LLVKDONJSA-N 1 0 311.357 3.040 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(O)CC2)s1 ZINC000271026730 432316216 /nfs/dbraw/zinc/31/62/16/432316216.db2.gz FJLPWEWCDYMCKI-UHFFFAOYSA-N 1 0 318.398 3.280 20 5 DGBDRO COC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000271053339 432323222 /nfs/dbraw/zinc/32/32/22/432323222.db2.gz XXHAOKHSRUZTFB-UHFFFAOYSA-N 1 0 316.357 3.466 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000174191612 432327715 /nfs/dbraw/zinc/32/77/15/432327715.db2.gz BBQTZGSWBMRLHD-AWEZNQCLSA-N 1 0 319.405 3.210 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000271143781 432336537 /nfs/dbraw/zinc/33/65/37/432336537.db2.gz OWKUSNJVEQLYGI-SCRDCRAPSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc(CN2CCS[C@@H](C)CC2)c([N+](=O)[O-])cc1F ZINC000192178068 432340468 /nfs/dbraw/zinc/34/04/68/432340468.db2.gz DPQYWCICFFJQBX-JTQLQIEISA-N 1 0 314.382 3.070 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000174823030 432372988 /nfs/dbraw/zinc/37/29/88/432372988.db2.gz PMFJXBFILGQPKG-UHFFFAOYSA-N 1 0 320.780 3.109 20 5 DGBDRO Cc1ccc([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174874008 432374482 /nfs/dbraw/zinc/37/44/82/432374482.db2.gz MQZCDKUIMXDRFT-QGZVFWFLSA-N 1 0 314.389 3.327 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000192499931 432382232 /nfs/dbraw/zinc/38/22/32/432382232.db2.gz BKIJMHBRFBZZKK-ZDUSSCGKSA-N 1 0 323.441 3.186 20 5 DGBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000184365307 432382930 /nfs/dbraw/zinc/38/29/30/432382930.db2.gz WNLNVJLXQLZTAE-CQSZACIVSA-N 1 0 321.402 3.479 20 5 DGBDRO O=[N+]([O-])c1cnc(Nc2cccc(CC[NH+]3CCCC3)c2)s1 ZINC000192519135 432383535 /nfs/dbraw/zinc/38/35/35/432383535.db2.gz VIFUEEWVPPVFTM-UHFFFAOYSA-N 1 0 318.402 3.433 20 5 DGBDRO C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000271406855 432389510 /nfs/dbraw/zinc/38/95/10/432389510.db2.gz YDKMUWVOWYTWNK-BBRMVZONSA-N 1 0 304.390 3.140 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000271425144 432393188 /nfs/dbraw/zinc/39/31/88/432393188.db2.gz CNSFMBLZKDICLW-BZNIZROVSA-N 1 0 304.321 3.118 20 5 DGBDRO C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000175068547 432393926 /nfs/dbraw/zinc/39/39/26/432393926.db2.gz WCGYIOYJFHGUIT-UHFFFAOYSA-N 1 0 317.433 3.088 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000153242438 432394539 /nfs/dbraw/zinc/39/45/39/432394539.db2.gz BZYAFFDHORADIG-GXTWGEPZSA-N 1 0 308.378 3.213 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cccnc2)cc1[N+](=O)[O-] ZINC000152823310 432360659 /nfs/dbraw/zinc/36/06/59/432360659.db2.gz RWMUXNJGQCVQSX-ZDUSSCGKSA-N 1 0 315.373 3.282 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@](C)(O)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000153758276 432439602 /nfs/dbraw/zinc/43/96/02/432439602.db2.gz XQNRKCNDWHUMSZ-GDZNZVCISA-N 1 0 324.421 3.441 20 5 DGBDRO CCOc1ccc([C@H](C)NCC[N@H+](C)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000153525785 432416535 /nfs/dbraw/zinc/41/65/35/432416535.db2.gz SNHWJBBYEUQRJJ-KGLIPLIRSA-N 1 0 323.437 3.374 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000271532715 432416809 /nfs/dbraw/zinc/41/68/09/432416809.db2.gz MNUJFCAODJJRDG-FZMZJTMJSA-N 1 0 306.362 3.224 20 5 DGBDRO CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192877881 432425575 /nfs/dbraw/zinc/42/55/75/432425575.db2.gz MEBYSPRZGSZNBR-HOCLYGCPSA-N 1 0 306.406 3.359 20 5 DGBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185218121 432479771 /nfs/dbraw/zinc/47/97/71/432479771.db2.gz OFXMDPLRUXSTFP-MRXNPFEDSA-N 1 0 318.373 3.351 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000154263263 432486331 /nfs/dbraw/zinc/48/63/31/432486331.db2.gz AGCPIUYRSNZJGO-QWHCGFSZSA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000176041748 432488627 /nfs/dbraw/zinc/48/86/27/432488627.db2.gz SZYGTILJZRNXOA-IAQYHMDHSA-N 1 0 306.362 3.130 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000176047032 432489108 /nfs/dbraw/zinc/48/91/08/432489108.db2.gz OJQISVJAMQMPRP-LLVKDONJSA-N 1 0 300.314 3.174 20 5 DGBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)CC[NH2+]1 ZINC000262836550 432505350 /nfs/dbraw/zinc/50/53/50/432505350.db2.gz ILHIOSLVDFLUTK-HIFRSBDPSA-N 1 0 319.408 3.258 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000154002025 432461994 /nfs/dbraw/zinc/46/19/94/432461994.db2.gz OWKUSNJVEQLYGI-SGMGOOAPSA-N 1 0 308.378 3.069 20 5 DGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000185658752 432520489 /nfs/dbraw/zinc/52/04/89/432520489.db2.gz CXZXDJKHNTUXBJ-SMDDNHRTSA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@H](NCc1csc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185676159 432522785 /nfs/dbraw/zinc/52/27/85/432522785.db2.gz IWDNEHLHLCVRNJ-LRDDRELGSA-N 1 0 319.430 3.437 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(CO)cc2)C2CC2)cc1 ZINC000272568012 432526759 /nfs/dbraw/zinc/52/67/59/432526759.db2.gz VAUFDVTVOPZNEG-UHFFFAOYSA-N 1 0 312.369 3.252 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000263689054 432566606 /nfs/dbraw/zinc/56/66/06/432566606.db2.gz JKPYGYLUNOSGRD-SECBINFHSA-N 1 0 316.304 3.047 20 5 DGBDRO CO[C@H](C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000263823526 432581405 /nfs/dbraw/zinc/58/14/05/432581405.db2.gz QVSWXEDSHNYITR-GFCCVEGCSA-N 1 0 304.346 3.369 20 5 DGBDRO COc1ccc(C[N@H+](C)CC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000187318465 432657295 /nfs/dbraw/zinc/65/72/95/432657295.db2.gz ZQQKDLUHFOPNIM-UHFFFAOYSA-N 1 0 322.405 3.121 20 5 DGBDRO CCC[C@@H]([NH2+]CCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000159751379 432695963 /nfs/dbraw/zinc/69/59/63/432695963.db2.gz OPFWGFZVIRFVRL-MRXNPFEDSA-N 1 0 302.378 3.002 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cnn1C ZINC000177960436 432678897 /nfs/dbraw/zinc/67/88/97/432678897.db2.gz FOZWPBOUVWKTDL-NWDGAFQWSA-N 1 0 302.378 3.357 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000161492816 432782116 /nfs/dbraw/zinc/78/21/16/432782116.db2.gz BZXKOKDFZCYYGQ-GDBMZVCRSA-N 1 0 314.385 3.330 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000237204049 432782311 /nfs/dbraw/zinc/78/23/11/432782311.db2.gz YBVRZIZDJJRMPO-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680169 432766784 /nfs/dbraw/zinc/76/67/84/432766784.db2.gz FKRMGNYEACHBSR-ZIAGYGMSSA-N 1 0 321.421 3.249 20 5 DGBDRO Cc1c(C[N@@H+](C)[C@@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000266594419 432769707 /nfs/dbraw/zinc/76/97/07/432769707.db2.gz ODZQCWRHQFWJSH-SFHVURJKSA-N 1 0 314.385 3.459 20 5 DGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178718278 432770339 /nfs/dbraw/zinc/77/03/39/432770339.db2.gz XYYJUNAEKFMQAT-NWDGAFQWSA-N 1 0 302.378 3.357 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000160581412 432730638 /nfs/dbraw/zinc/73/06/38/432730638.db2.gz MMJZTQICBMYBDA-CYBMUJFWSA-N 1 0 307.394 3.291 20 5 DGBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000276554920 432818837 /nfs/dbraw/zinc/81/88/37/432818837.db2.gz KVDMGKPVFUKCBG-AGIUHOORSA-N 1 0 308.378 3.142 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000245471679 432835582 /nfs/dbraw/zinc/83/55/82/432835582.db2.gz XYFOMOLFKPPLBW-KFWWJZLASA-N 1 0 305.422 3.366 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245471740 432836064 /nfs/dbraw/zinc/83/60/64/432836064.db2.gz YBVPNIZYXHTFAE-HUUCEWRRSA-N 1 0 305.422 3.366 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](C)N1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245471681 432836302 /nfs/dbraw/zinc/83/63/02/432836302.db2.gz XYFOMOLFKPPLBW-RBSFLKMASA-N 1 0 305.422 3.366 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000277308322 432836611 /nfs/dbraw/zinc/83/66/11/432836611.db2.gz UNECEFPBRREWCC-CYBMUJFWSA-N 1 0 311.813 3.164 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CC)cc1[N+](=O)[O-] ZINC000245508523 432837759 /nfs/dbraw/zinc/83/77/59/432837759.db2.gz SBQJVWXETDXHSX-HIFRSBDPSA-N 1 0 321.421 3.128 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000266755484 432784614 /nfs/dbraw/zinc/78/46/14/432784614.db2.gz DWXAOQJIGNDABF-ZUZCIYMTSA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000266818290 432789839 /nfs/dbraw/zinc/78/98/39/432789839.db2.gz YHRPMPQGZVTVEB-ABAIWWIYSA-N 1 0 306.387 3.215 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849565 432791758 /nfs/dbraw/zinc/79/17/58/432791758.db2.gz BZSKUDPOHLGWCO-CABCVRRESA-N 1 0 305.422 3.320 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCOC3)s2)cc1 ZINC000178995905 432793802 /nfs/dbraw/zinc/79/38/02/432793802.db2.gz DJMCJLNBTGHDQB-LBPRGKRZSA-N 1 0 304.371 3.202 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccc(-n3cccn3)cc2)cccc1[N+](=O)[O-] ZINC000237812823 432800354 /nfs/dbraw/zinc/80/03/54/432800354.db2.gz INJVSWSGRIIXQM-UHFFFAOYSA-N 1 0 322.368 3.379 20 5 DGBDRO Cc1c(C[NH2+]Cc2cnn(-c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000237813831 432800818 /nfs/dbraw/zinc/80/08/18/432800818.db2.gz QDNWDISWTGGLRI-UHFFFAOYSA-N 1 0 322.368 3.379 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266959736 432801958 /nfs/dbraw/zinc/80/19/58/432801958.db2.gz WGEUPPIMYDPWJW-TZMCWYRMSA-N 1 0 300.362 3.259 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000266983020 432804630 /nfs/dbraw/zinc/80/46/30/432804630.db2.gz BETJOLBZHQIQHG-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000296247036 432888420 /nfs/dbraw/zinc/88/84/20/432888420.db2.gz CTLXNPIVKLTEHM-OLZOCXBDSA-N 1 0 310.394 3.195 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000163113519 432843943 /nfs/dbraw/zinc/84/39/43/432843943.db2.gz RXIWJEGIXXLTIX-SUMWQHHRSA-N 1 0 306.406 3.495 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000245722832 432858807 /nfs/dbraw/zinc/85/88/07/432858807.db2.gz DMUMUXOINANPEP-STQMWFEESA-N 1 0 314.389 3.226 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000296821089 432928338 /nfs/dbraw/zinc/92/83/38/432928338.db2.gz VQXNOFCJYYJBHJ-MGPLVRAMSA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331275944 432938008 /nfs/dbraw/zinc/93/80/08/432938008.db2.gz FKPSNMIRQFIFKV-UHIISALHSA-N 1 0 312.797 3.230 20 5 DGBDRO C[C@H](CO)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279223093 432948054 /nfs/dbraw/zinc/94/80/54/432948054.db2.gz ZFCLGAPBXCETFV-LRDDRELGSA-N 1 0 306.406 3.315 20 5 DGBDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c2nccn21 ZINC000296329720 432897401 /nfs/dbraw/zinc/89/74/01/432897401.db2.gz GHLQPKFLMJLKPM-GWCFXTLKSA-N 1 0 320.780 3.283 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000278952535 432920804 /nfs/dbraw/zinc/92/08/04/432920804.db2.gz LLYMVXMUWTYHBW-XJKSGUPXSA-N 1 0 314.389 3.095 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332037798 432966905 /nfs/dbraw/zinc/96/69/05/432966905.db2.gz XHIDZMGARXBPBR-XNJGSVPQSA-N 1 0 317.433 3.390 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000341129566 432970690 /nfs/dbraw/zinc/97/06/90/432970690.db2.gz TXFMFLYSLOSXHB-SNVBAGLBSA-N 1 0 300.790 3.176 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1ccc([N+](=O)[O-])cc1 ZINC000297290600 432987148 /nfs/dbraw/zinc/98/71/48/432987148.db2.gz LUMSDQZODZFUCD-STQMWFEESA-N 1 0 300.358 3.499 20 5 DGBDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000290124413 432995710 /nfs/dbraw/zinc/99/57/10/432995710.db2.gz YZTYZOBNNMNRRZ-VIFPVBQESA-N 1 0 319.188 3.370 20 5 DGBDRO Cc1cscc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331612534 432953210 /nfs/dbraw/zinc/95/32/10/432953210.db2.gz MKAMTOZJJQANMH-KGLIPLIRSA-N 1 0 320.418 3.435 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297083902 432956341 /nfs/dbraw/zinc/95/63/41/432956341.db2.gz KAUDDHREHYPPLY-HNNXBMFYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000332444238 433006413 /nfs/dbraw/zinc/00/64/13/433006413.db2.gz JHYIETALJXHARB-LBPRGKRZSA-N 1 0 300.362 3.259 20 5 DGBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000341275382 433014350 /nfs/dbraw/zinc/01/43/50/433014350.db2.gz JNVVWOMWRDKMCL-TTZDDIAXSA-N 1 0 306.406 3.055 20 5 DGBDRO CC(C)c1ccc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354436940 433077333 /nfs/dbraw/zinc/07/73/33/433077333.db2.gz DKVBWWXGVBSZII-OKILXGFUSA-N 1 0 305.422 3.243 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000341500077 433097665 /nfs/dbraw/zinc/09/76/65/433097665.db2.gz MQLMLSWPDUZREJ-UHFFFAOYSA-N 1 0 305.422 3.292 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453381870 433139696 /nfs/dbraw/zinc/13/96/96/433139696.db2.gz RKPXZTLEBBCGBK-QAPCUYQASA-N 1 0 318.417 3.418 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC[C@H]1CCOC1)CCC2 ZINC000453350359 433113996 /nfs/dbraw/zinc/11/39/96/433113996.db2.gz GWIXJOWFTDZTQR-GUYCJALGSA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446843650 433115278 /nfs/dbraw/zinc/11/52/78/433115278.db2.gz OMECUXGYIHFKPM-NEPJUHHUSA-N 1 0 302.378 3.387 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000341590740 433154002 /nfs/dbraw/zinc/15/40/02/433154002.db2.gz NDLDCRRYEKWMGS-MRXNPFEDSA-N 1 0 314.389 3.349 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)cc1 ZINC000350557410 433207846 /nfs/dbraw/zinc/20/78/46/433207846.db2.gz LVBQQYMBZGMGSO-UHFFFAOYSA-N 1 0 313.357 3.033 20 5 DGBDRO CC(C)[N@H+](C)CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000298494434 433156701 /nfs/dbraw/zinc/15/67/01/433156701.db2.gz YJKMTZDLWZHTIT-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000447588442 433239671 /nfs/dbraw/zinc/23/96/71/433239671.db2.gz UMWLSVFVPLBFFA-HRCADAONSA-N 1 0 304.390 3.375 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)cc1F ZINC000374623254 433242435 /nfs/dbraw/zinc/24/24/35/433242435.db2.gz VXXWZNIRFJZPGJ-AWEZNQCLSA-N 1 0 316.332 3.217 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCC1(O)CCC1 ZINC000291508865 433257956 /nfs/dbraw/zinc/25/79/56/433257956.db2.gz ICVYYSQHXMDDNU-UHFFFAOYSA-N 1 0 319.188 3.296 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(NCCCOC3CCCC3)c2c1 ZINC000413097304 433260028 /nfs/dbraw/zinc/26/00/28/433260028.db2.gz WDFAIGVNDDFSMB-UHFFFAOYSA-N 1 0 315.373 3.904 20 5 DGBDRO Cc1cc(N2CCCO[C@H](CF)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413476115 433282473 /nfs/dbraw/zinc/28/24/73/433282473.db2.gz DESLKHOLMJVLBF-CYBMUJFWSA-N 1 0 319.336 3.016 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000448026876 433350665 /nfs/dbraw/zinc/35/06/65/433350665.db2.gz KGHYBPOQJGFRMM-CZUORRHYSA-N 1 0 305.422 3.366 20 5 DGBDRO Cc1cc(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])ccc1F ZINC000339129861 433377075 /nfs/dbraw/zinc/37/70/75/433377075.db2.gz ZRIXXXAUMHOWDO-UHFFFAOYSA-N 1 0 304.321 3.380 20 5 DGBDRO CN(Cc1cc(F)cc(F)c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339128684 433379361 /nfs/dbraw/zinc/37/93/61/433379361.db2.gz ZDXQOTXPRIADSJ-UHFFFAOYSA-N 1 0 308.284 3.211 20 5 DGBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000425958218 433385411 /nfs/dbraw/zinc/38/54/11/433385411.db2.gz FJAZVZKYQDBFAF-OLZOCXBDSA-N 1 0 316.357 3.058 20 5 DGBDRO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000448368422 433400691 /nfs/dbraw/zinc/40/06/91/433400691.db2.gz VSRHOGGBVHLGRG-OAHLLOKOSA-N 1 0 324.446 3.247 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000301085397 433408900 /nfs/dbraw/zinc/40/89/00/433408900.db2.gz KJWXCFOUCXIMHZ-AWEZNQCLSA-N 1 0 311.385 3.454 20 5 DGBDRO CC(C)[C@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000301111450 433418325 /nfs/dbraw/zinc/41/83/25/433418325.db2.gz YUFNWENWQGYHHJ-HNNXBMFYSA-N 1 0 306.410 3.158 20 5 DGBDRO CCOc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000301175091 433439878 /nfs/dbraw/zinc/43/98/78/433439878.db2.gz FUASTCDSRFWERP-KGLIPLIRSA-N 1 0 305.378 3.032 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CCOC)cc1[N+](=O)[O-] ZINC000414197928 433458720 /nfs/dbraw/zinc/45/87/20/433458720.db2.gz KFVMEDVMGDMXJU-OLZOCXBDSA-N 1 0 310.394 3.317 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000282034771 433472129 /nfs/dbraw/zinc/47/21/29/433472129.db2.gz UCHRBEFOBUVNCX-CQSZACIVSA-N 1 0 321.380 3.376 20 5 DGBDRO Cc1ncsc1CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292119536 433469330 /nfs/dbraw/zinc/46/93/30/433469330.db2.gz KBEPQFRYJIBYIT-UHFFFAOYSA-N 1 0 305.403 3.427 20 5 DGBDRO C[C@H](NC(=O)CC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000339264063 433476711 /nfs/dbraw/zinc/47/67/11/433476711.db2.gz JSYUMKPOGLLVGZ-KGLIPLIRSA-N 1 0 319.405 3.037 20 5 DGBDRO CC(C)(NCc1ncc(C2CC2)o1)c1ccccc1[N+](=O)[O-] ZINC000292223290 433511493 /nfs/dbraw/zinc/51/14/93/433511493.db2.gz VBZQLPXFQWGQKA-UHFFFAOYSA-N 1 0 301.346 3.485 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)cc1OC(F)F ZINC000301389980 433534956 /nfs/dbraw/zinc/53/49/56/433534956.db2.gz ZTVMOKLNRAMJHF-UHFFFAOYSA-N 1 0 315.320 3.094 20 5 DGBDRO COC1([C@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000414313927 433539509 /nfs/dbraw/zinc/53/95/09/433539509.db2.gz ZBWKTEGOLCCYMJ-KGLIPLIRSA-N 1 0 306.406 3.463 20 5 DGBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccccc1 ZINC000292193933 433499525 /nfs/dbraw/zinc/49/95/25/433499525.db2.gz NJIZDOKJMRAOJA-AWEZNQCLSA-N 1 0 302.378 3.263 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC[C@H]1F ZINC000414277389 433505127 /nfs/dbraw/zinc/50/51/27/433505127.db2.gz BHCGYXZVNYCMQK-NILFDRSVSA-N 1 0 323.368 3.182 20 5 DGBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000339428692 433575390 /nfs/dbraw/zinc/57/53/90/433575390.db2.gz UJLFNFWXRVNHIH-MRXNPFEDSA-N 1 0 323.824 3.166 20 5 DGBDRO CCc1ncc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000414373752 433581207 /nfs/dbraw/zinc/58/12/07/433581207.db2.gz ZUCYXUYBAFIDRS-LBPRGKRZSA-N 1 0 300.362 3.106 20 5 DGBDRO CC(C)[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000356484335 433582053 /nfs/dbraw/zinc/58/20/53/433582053.db2.gz ODSJWLJMVSBUJA-UHFFFAOYSA-N 1 0 317.336 3.338 20 5 DGBDRO CCc1noc(C)c1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000339435303 433583756 /nfs/dbraw/zinc/58/37/56/433583756.db2.gz ANCAMQZUZXAPLI-VURMDHGXSA-N 1 0 301.346 3.257 20 5 DGBDRO Cc1cc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000282388583 433587175 /nfs/dbraw/zinc/58/71/75/433587175.db2.gz BPJSSIYJAIORQZ-UHFFFAOYSA-N 1 0 314.345 3.005 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC([NH+]2CCCC2)CC1 ZINC000163323738 292866391 /nfs/dbraw/zinc/86/63/91/292866391.db2.gz OUOYTDQILWGAMF-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCO[C@H](CF)C1 ZINC000414478881 433645539 /nfs/dbraw/zinc/64/55/39/433645539.db2.gz QEIDZXQWVOFHAB-LPDYGMJQSA-N 1 0 308.353 3.059 20 5 DGBDRO CC1(C)CCC[C@@]1(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000339463844 433601587 /nfs/dbraw/zinc/60/15/87/433601587.db2.gz DHCDATMWCOGMCP-CTEOGUNLSA-N 1 0 304.390 3.139 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000268962877 292883333 /nfs/dbraw/zinc/88/33/33/292883333.db2.gz GFRUKUOQIVZVFO-ZCDTZLGTSA-N 1 0 304.390 3.367 20 5 DGBDRO COc1ccc(C[NH2+]C2CC(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000342312308 433608877 /nfs/dbraw/zinc/60/88/77/433608877.db2.gz WLZFHMGZAVIMIN-UHFFFAOYSA-N 1 0 304.268 3.034 20 5 DGBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301558334 433611467 /nfs/dbraw/zinc/61/14/67/433611467.db2.gz XHGOMZLTIZCPSI-UHFFFAOYSA-N 1 0 317.311 3.146 20 5 DGBDRO C[C@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)c1nccs1 ZINC000283067046 433656153 /nfs/dbraw/zinc/65/61/53/433656153.db2.gz JWAFZXLHCMQDDR-SNVBAGLBSA-N 1 0 309.366 3.426 20 5 DGBDRO O=[N+]([O-])c1ccc(CN(Cc2ccncc2)C2CC2)cc1F ZINC000283128175 433673949 /nfs/dbraw/zinc/67/39/49/433673949.db2.gz NHUDEGLOAVZXBN-UHFFFAOYSA-N 1 0 301.321 3.294 20 5 DGBDRO CC(C)[C@@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC12CCOCC2 ZINC000414521689 433687399 /nfs/dbraw/zinc/68/73/99/433687399.db2.gz AMXOABZPFKDMJZ-INIZCTEOSA-N 1 0 322.380 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1F ZINC000366996977 293011775 /nfs/dbraw/zinc/01/17/75/293011775.db2.gz POLAUIWFHKEMLY-HIFRSBDPSA-N 1 0 322.380 3.373 20 5 DGBDRO CC(C)N(CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449061134 433715990 /nfs/dbraw/zinc/71/59/90/433715990.db2.gz VDZMGBXJWIDAGE-OAHLLOKOSA-N 1 0 307.438 3.234 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1conc1CC ZINC000293380214 433716659 /nfs/dbraw/zinc/71/66/59/433716659.db2.gz JTRPFALUQFNPMJ-UHFFFAOYSA-N 1 0 319.361 3.176 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000356846305 433727679 /nfs/dbraw/zinc/72/76/79/433727679.db2.gz YKCUGWUNTWGUDL-OAHLLOKOSA-N 1 0 318.352 3.098 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](CC4CC4)C3)nc2c1 ZINC000339685346 433728163 /nfs/dbraw/zinc/72/81/63/433728163.db2.gz ZBIURCWOQRDYON-LBPRGKRZSA-N 1 0 301.346 3.358 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](CC4CC4)C3)nc2c1 ZINC000339685345 433730651 /nfs/dbraw/zinc/73/06/51/433730651.db2.gz ZBIURCWOQRDYON-GFCCVEGCSA-N 1 0 301.346 3.358 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000414592976 433738871 /nfs/dbraw/zinc/73/88/71/433738871.db2.gz ZZTNTANKYAHOFN-HIFRSBDPSA-N 1 0 306.406 3.311 20 5 DGBDRO O=C(CC[NH+]1CC2(C1)CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000283557363 433741989 /nfs/dbraw/zinc/74/19/89/433741989.db2.gz PNGJRCOAFFNSSY-UHFFFAOYSA-N 1 0 317.389 3.190 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000429189584 433768914 /nfs/dbraw/zinc/76/89/14/433768914.db2.gz CDQCFEVCQSWXBZ-JTQLQIEISA-N 1 0 318.204 3.432 20 5 DGBDRO CC(C)C[N@@H+]1CC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301790104 433723557 /nfs/dbraw/zinc/72/35/57/433723557.db2.gz NKTVWIOAYULWFS-LLVKDONJSA-N 1 0 313.348 3.263 20 5 DGBDRO O=C(CC[N@@H+]1CC[C@@H](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000339680555 433723924 /nfs/dbraw/zinc/72/39/24/433723924.db2.gz WIHAFNDYAYSJDQ-AWEZNQCLSA-N 1 0 317.389 3.045 20 5 DGBDRO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449133398 433724344 /nfs/dbraw/zinc/72/43/44/433724344.db2.gz YHTMOISIRQVIAU-GOEBONIOSA-N 1 0 307.438 3.092 20 5 DGBDRO Cc1cc(NCc2ccc(C[NH+](C)C)c(F)c2)ncc1[N+](=O)[O-] ZINC000301891728 433779492 /nfs/dbraw/zinc/77/94/92/433779492.db2.gz ROMIDHIQRSSPBD-UHFFFAOYSA-N 1 0 318.352 3.111 20 5 DGBDRO CSCc1cnc(C[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000293562626 433782914 /nfs/dbraw/zinc/78/29/14/433782914.db2.gz MGYDCBKTUMWLEE-UHFFFAOYSA-N 1 0 323.443 3.247 20 5 DGBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301895126 433783167 /nfs/dbraw/zinc/78/31/67/433783167.db2.gz TWKMURTZDAJHOG-UHFFFAOYSA-N 1 0 321.421 3.304 20 5 DGBDRO CC[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000421868912 433786173 /nfs/dbraw/zinc/78/61/73/433786173.db2.gz CXLYDMWMOUBCRK-DLBZAZTESA-N 1 0 300.358 3.045 20 5 DGBDRO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376653099 433794128 /nfs/dbraw/zinc/79/41/28/433794128.db2.gz SLVKAYKLJXGIAQ-GOEBONIOSA-N 1 0 318.421 3.421 20 5 DGBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000343631134 433820874 /nfs/dbraw/zinc/82/08/74/433820874.db2.gz NENHTOZZQSLADO-UHFFFAOYSA-N 1 0 315.348 3.055 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000357013567 433821930 /nfs/dbraw/zinc/82/19/30/433821930.db2.gz VADSGDHCQJTXEI-CYBMUJFWSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CO ZINC000293670551 433822940 /nfs/dbraw/zinc/82/29/40/433822940.db2.gz OTTSLXJHCWFBLX-LBPRGKRZSA-N 1 0 304.346 3.058 20 5 DGBDRO CC(C)C[C@@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175611 433840576 /nfs/dbraw/zinc/84/05/76/433840576.db2.gz MOXDMXWUHRPZHD-BLLLJJGKSA-N 1 0 306.406 3.314 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433162309 433840819 /nfs/dbraw/zinc/84/08/19/433840819.db2.gz LXCGROXKOUJKJN-CJNGLKHVSA-N 1 0 304.390 3.476 20 5 DGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293722200 433842549 /nfs/dbraw/zinc/84/25/49/433842549.db2.gz MNDRITSCLFCONK-VXGBXAGGSA-N 1 0 315.373 3.164 20 5 DGBDRO [NH3+]C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000414807440 433849655 /nfs/dbraw/zinc/84/96/55/433849655.db2.gz QZVNWTXYOHTWIX-HNNXBMFYSA-N 1 0 317.414 3.150 20 5 DGBDRO COc1ccc(CNCC[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000414813418 433851644 /nfs/dbraw/zinc/85/16/44/433851644.db2.gz QWJWDCQNJMYASP-UHFFFAOYSA-N 1 0 321.421 3.005 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCC[NH2+]3)s2)cc1 ZINC000414843200 433878239 /nfs/dbraw/zinc/87/82/39/433878239.db2.gz JOEHVUAVGRYKMP-ZDUSSCGKSA-N 1 0 317.414 3.165 20 5 DGBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284223503 433863957 /nfs/dbraw/zinc/86/39/57/433863957.db2.gz UNDGMLLLGDFVTO-LLVKDONJSA-N 1 0 313.379 3.076 20 5 DGBDRO CC(C)C[C@H](C[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414834094 433866845 /nfs/dbraw/zinc/86/68/45/433866845.db2.gz GMVJWFJKBIVNBT-CYBMUJFWSA-N 1 0 317.389 3.318 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000284857655 433905328 /nfs/dbraw/zinc/90/53/28/433905328.db2.gz RWYPHJWABSBZEC-ZBFHGGJFSA-N 1 0 320.389 3.137 20 5 DGBDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414926311 433922349 /nfs/dbraw/zinc/92/23/49/433922349.db2.gz KVNLQGWIOFARQJ-QGZVFWFLSA-N 1 0 315.348 3.483 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](O)CC2)o1 ZINC000293923956 433930007 /nfs/dbraw/zinc/93/00/07/433930007.db2.gz GXDRWPGMCZPOKA-ZDUSSCGKSA-N 1 0 316.357 3.202 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302850086 433883133 /nfs/dbraw/zinc/88/31/33/433883133.db2.gz PLMNKGBWRIZCFL-ZDUSSCGKSA-N 1 0 318.421 3.239 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000284335413 433887821 /nfs/dbraw/zinc/88/78/21/433887821.db2.gz BVIPFAMGFDLAQO-GJZGRUSLSA-N 1 0 310.781 3.392 20 5 DGBDRO CC(C)[NH+](CCCNc1c2c(ccc1[N+](=O)[O-])NCC2)C(C)C ZINC000436402665 433957752 /nfs/dbraw/zinc/95/77/52/433957752.db2.gz ZMRAOAPNTLJQCD-UHFFFAOYSA-N 1 0 320.437 3.484 20 5 DGBDRO CCc1nc(CN(C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285468377 433958268 /nfs/dbraw/zinc/95/82/68/433958268.db2.gz ZYMOQIAFEWVWJT-UHFFFAOYSA-N 1 0 305.403 3.288 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)CC1 ZINC000357391299 433988549 /nfs/dbraw/zinc/98/85/49/433988549.db2.gz OHFVQGVUQNWOCJ-STQMWFEESA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000377964826 434046658 /nfs/dbraw/zinc/04/66/58/434046658.db2.gz VZDLMULUODPPHB-ZFWWWQNUSA-N 1 0 314.389 3.328 20 5 DGBDRO CC[NH+](CC)CCCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450210727 434031282 /nfs/dbraw/zinc/03/12/82/434031282.db2.gz KNDJBBHXARTCLO-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000352298624 434032524 /nfs/dbraw/zinc/03/25/24/434032524.db2.gz ZOCPRQXFYIMQJQ-RVKKMQEKSA-N 1 0 317.433 3.432 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000363383825 434036471 /nfs/dbraw/zinc/03/64/71/434036471.db2.gz BCDAOIPUUKEECE-MRXNPFEDSA-N 1 0 317.389 3.106 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000352310019 434039375 /nfs/dbraw/zinc/03/93/75/434039375.db2.gz FMNVEPQGVNWLAL-NFAWXSAZSA-N 1 0 323.462 3.494 20 5 DGBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000377964824 434044858 /nfs/dbraw/zinc/04/48/58/434044858.db2.gz VZDLMULUODPPHB-HIFRSBDPSA-N 1 0 314.389 3.328 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000305130478 434044927 /nfs/dbraw/zinc/04/49/27/434044927.db2.gz DZJLENIROAZBAD-MTCRFPMVSA-N 1 0 324.380 3.032 20 5 DGBDRO Cn1ccnc1[C@H]([NH2+]CCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353388907 434100851 /nfs/dbraw/zinc/10/08/51/434100851.db2.gz SPLYUCIFCOQPQH-OAHLLOKOSA-N 1 0 316.405 3.444 20 5 DGBDRO Cc1cnc(N[C@H](C)C[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000309910024 434103109 /nfs/dbraw/zinc/10/31/09/434103109.db2.gz ROFFNCHYQPBHNC-CQSZACIVSA-N 1 0 314.389 3.231 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)CC ZINC000504893463 294223669 /nfs/dbraw/zinc/22/36/69/294223669.db2.gz FSQRALSVTNIXCP-WFASDCNBSA-N 1 0 312.435 3.216 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCOC ZINC000504899849 294223959 /nfs/dbraw/zinc/22/39/59/294223959.db2.gz NKOIUHDWNZMHMP-OLZOCXBDSA-N 1 0 312.435 3.480 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)C[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000504905647 294224206 /nfs/dbraw/zinc/22/42/06/294224206.db2.gz LVERMXOHXYNCKU-IPYPFGDCSA-N 1 0 324.421 3.441 20 5 DGBDRO CC[C@H](COC)[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000504922248 294224961 /nfs/dbraw/zinc/22/49/61/294224961.db2.gz ZZRKOOJCOYUDNN-OLZOCXBDSA-N 1 0 312.435 3.480 20 5 DGBDRO CC[NH+](CC)CCSCc1c(F)cc([N+](=O)[O-])cc1F ZINC000505575628 294242897 /nfs/dbraw/zinc/24/28/97/294242897.db2.gz BPNZVPUVBUAIFP-UHFFFAOYSA-N 1 0 304.362 3.448 20 5 DGBDRO CC(=O)c1cc(NC[C@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000286004386 434135252 /nfs/dbraw/zinc/13/52/52/434135252.db2.gz DOWNEXOSLUPFRK-AWEZNQCLSA-N 1 0 307.394 3.186 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000340446250 434135741 /nfs/dbraw/zinc/13/57/41/434135741.db2.gz KVBDIRIUIXCDLA-CHWSQXEVSA-N 1 0 315.373 3.367 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)cccc1[N+](=O)[O-] ZINC000340452714 434137632 /nfs/dbraw/zinc/13/76/32/434137632.db2.gz UNAJEKWIYJUKJD-VXGBXAGGSA-N 1 0 301.346 3.416 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000340452539 434139285 /nfs/dbraw/zinc/13/92/85/434139285.db2.gz STSLNQAXMQCUTQ-VXGBXAGGSA-N 1 0 301.346 3.416 20 5 DGBDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000286035946 434145855 /nfs/dbraw/zinc/14/58/55/434145855.db2.gz QOKBLTZSFDGCKY-ZFWWWQNUSA-N 1 0 322.405 3.119 20 5 DGBDRO CCC[C@H]([NH2+]CCc1nccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000340488385 434158136 /nfs/dbraw/zinc/15/81/36/434158136.db2.gz HSXNLYNYACQCHI-KRWDZBQOSA-N 1 0 314.389 3.367 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000316176725 434184353 /nfs/dbraw/zinc/18/43/53/434184353.db2.gz VEQCJVCFDWTRHE-HNNXBMFYSA-N 1 0 305.422 3.430 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000295087643 434191550 /nfs/dbraw/zinc/19/15/50/434191550.db2.gz RDZLSIYUPUVLBJ-INIZCTEOSA-N 1 0 320.776 3.414 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000340539406 434196657 /nfs/dbraw/zinc/19/66/57/434196657.db2.gz ZGNDLPJMXPNJTC-RYUDHWBXSA-N 1 0 301.346 3.410 20 5 DGBDRO COc1ncccc1CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000353538311 434207438 /nfs/dbraw/zinc/20/74/38/434207438.db2.gz GYMBIAVUGDOUBU-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000346172636 434167583 /nfs/dbraw/zinc/16/75/83/434167583.db2.gz GCULEHSXYRPXEC-RYUDHWBXSA-N 1 0 311.813 3.163 20 5 DGBDRO COc1ccc(C[NH2+]CC2(O)CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000320932123 434247356 /nfs/dbraw/zinc/24/73/56/434247356.db2.gz CSCNPFOLMBCUHH-UHFFFAOYSA-N 1 0 322.405 3.024 20 5 DGBDRO COc1cc(C[NH2+][C@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000346268799 434249095 /nfs/dbraw/zinc/24/90/95/434249095.db2.gz USWCBDOKCTUQJD-LBPRGKRZSA-N 1 0 308.378 3.280 20 5 DGBDRO CC1(C)CC(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000515163845 294542679 /nfs/dbraw/zinc/54/26/79/294542679.db2.gz PQVFUXHUBIYNKJ-ZIAGYGMSSA-N 1 0 306.410 3.301 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccccn1 ZINC000295208920 434255038 /nfs/dbraw/zinc/25/50/38/434255038.db2.gz UKCPYVZEQQURCO-UHFFFAOYSA-N 1 0 315.373 3.409 20 5 DGBDRO Cc1c(C[NH2+]C2CCC3(CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000516128832 294590518 /nfs/dbraw/zinc/59/05/18/294590518.db2.gz KEHZRLULMMFKPV-UHFFFAOYSA-N 1 0 304.390 3.485 20 5 DGBDRO CC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000340674268 434289670 /nfs/dbraw/zinc/28/96/70/434289670.db2.gz FFJUIRUILAMDAH-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc2ccccc2c2cccnc12 ZINC000295309592 434301023 /nfs/dbraw/zinc/30/10/23/434301023.db2.gz VWVVTHHCXHFTSY-ZDUSSCGKSA-N 1 0 307.397 3.245 20 5 DGBDRO CC(C)C[C@@H](C[NH3+])N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423272555 434328157 /nfs/dbraw/zinc/32/81/57/434328157.db2.gz ZDSCLTWEQJVAER-LRDDRELGSA-N 1 0 305.422 3.280 20 5 DGBDRO C[NH2+]C[C@@H](C)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423268290 434329165 /nfs/dbraw/zinc/32/91/65/434329165.db2.gz FVDBTGODBQJWOL-RDTXWAMCSA-N 1 0 313.401 3.129 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000437524044 434278487 /nfs/dbraw/zinc/27/84/87/434278487.db2.gz DIARMBRKVPHWLW-HZPDHXFCSA-N 1 0 322.430 3.334 20 5 DGBDRO [NH3+]C1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000423339810 434370334 /nfs/dbraw/zinc/37/03/34/434370334.db2.gz WYVOXRFEVHGKMF-QGZVFWFLSA-N 1 0 311.385 3.155 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348521190 434370597 /nfs/dbraw/zinc/37/05/97/434370597.db2.gz OBDMPDMJIKTYSW-ZYHUDNBSSA-N 1 0 320.723 3.498 20 5 DGBDRO CCCC[C@H](CN)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423296306 434349922 /nfs/dbraw/zinc/34/99/22/434349922.db2.gz GOJIDNSICPAVLL-DJIMGWMZSA-N 1 0 319.449 3.413 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOCC1CC1)CCCC2 ZINC000417312343 434349850 /nfs/dbraw/zinc/34/98/50/434349850.db2.gz NLKIJALPLBOEDK-KRWDZBQOSA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@@H](CO)CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310858 434349908 /nfs/dbraw/zinc/34/99/08/434349908.db2.gz MVGBESQVDNUTGA-CXAGYDPISA-N 1 0 306.406 3.361 20 5 DGBDRO CCN1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417302822 434351164 /nfs/dbraw/zinc/35/11/64/434351164.db2.gz BWBSMLPYMGIGRQ-SFHVURJKSA-N 1 0 317.433 3.436 20 5 DGBDRO C[C@@H]1CSC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295424505 434357149 /nfs/dbraw/zinc/35/71/49/434357149.db2.gz OCQSCMWWACJLOS-BXKDBHETSA-N 1 0 300.811 3.132 20 5 DGBDRO CO[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417350318 434360901 /nfs/dbraw/zinc/36/09/01/434360901.db2.gz PIFUPFSKMVIGML-IAGOWNOFSA-N 1 0 304.390 3.377 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000295920195 434443796 /nfs/dbraw/zinc/44/37/96/434443796.db2.gz DYVHQORPQPBMCO-DSPQJCBJSA-N 1 0 320.389 3.223 20 5 DGBDRO CC[NH2+][C@H](C)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423372380 434392776 /nfs/dbraw/zinc/39/27/76/434392776.db2.gz GDNLAWHMBRKOLM-RDTXWAMCSA-N 1 0 313.401 3.272 20 5 DGBDRO C[C@@H]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000397410332 434438479 /nfs/dbraw/zinc/43/84/79/434438479.db2.gz QQAPDMXTIIKPFJ-WZRBSPASSA-N 1 0 311.813 3.053 20 5 DGBDRO CCOc1ccc([C@@H](C)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423512069 434463731 /nfs/dbraw/zinc/46/37/31/434463731.db2.gz UMRWFQBNLHFOEV-IUODEOHRSA-N 1 0 321.421 3.162 20 5 DGBDRO C[NH+](C)CC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000360011349 434475872 /nfs/dbraw/zinc/47/58/72/434475872.db2.gz VGMJCWPMDIIXDX-UHFFFAOYSA-N 1 0 311.813 3.022 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000366651115 434477234 /nfs/dbraw/zinc/47/72/34/434477234.db2.gz HJKWSXPITGAAIA-YPMHNXCESA-N 1 0 310.781 3.107 20 5 DGBDRO CC(C)C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000341055046 434513575 /nfs/dbraw/zinc/51/35/75/434513575.db2.gz HWMCNFJBFWSOSN-CQSZACIVSA-N 1 0 302.378 3.205 20 5 DGBDRO Cn1cc(C[NH2+]CCC(C)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000296127147 434519962 /nfs/dbraw/zinc/51/99/62/434519962.db2.gz UDZDGDRMPFNUIG-UHFFFAOYSA-N 1 0 324.331 3.130 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000408086284 434539811 /nfs/dbraw/zinc/53/98/11/434539811.db2.gz HSSWDHDBHMRQCH-KKUMJFAQSA-N 1 0 318.421 3.140 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353970488 434550869 /nfs/dbraw/zinc/55/08/69/434550869.db2.gz FAFTZBQNQIKVBB-WMZOPIPTSA-N 1 0 317.433 3.436 20 5 DGBDRO CC(C)CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000348933712 434559022 /nfs/dbraw/zinc/55/90/22/434559022.db2.gz KMSNFLMQXYTULY-UHFFFAOYSA-N 1 0 313.829 3.268 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000527304553 295090420 /nfs/dbraw/zinc/09/04/20/295090420.db2.gz SOOQDDUKARXMEG-OTMARIDSSA-N 1 0 315.417 3.168 20 5 DGBDRO C[C@]1(CCCO)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349153081 434620543 /nfs/dbraw/zinc/62/05/43/434620543.db2.gz REHVEUKTAMMFAK-RLXIPRIJSA-N 1 0 304.390 3.235 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](C)OC ZINC000349202533 434637315 /nfs/dbraw/zinc/63/73/15/434637315.db2.gz PCEMCTCZPJJHQB-CHWSQXEVSA-N 1 0 312.435 3.480 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000424313564 434691548 /nfs/dbraw/zinc/69/15/48/434691548.db2.gz JKCPBBJDAGEFSC-MPKXVKKWSA-N 1 0 318.398 3.497 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@H]3O)o2)c(Cl)c1 ZINC000424194559 434654836 /nfs/dbraw/zinc/65/48/36/434654836.db2.gz BILPTLRUIRZSSF-ZIAGYGMSSA-N 1 0 322.748 3.121 20 5 DGBDRO Cc1ncc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000459669489 434655493 /nfs/dbraw/zinc/65/54/93/434655493.db2.gz DIWWUWLMNNQIFL-XJKSGUPXSA-N 1 0 315.373 3.392 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])cc1O ZINC000424201160 434657204 /nfs/dbraw/zinc/65/72/04/434657204.db2.gz HMASKARFQIPDDP-GXTWGEPZSA-N 1 0 320.389 3.367 20 5 DGBDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000459723966 434675790 /nfs/dbraw/zinc/67/57/90/434675790.db2.gz VXIFPDGWVWYQMB-OAHLLOKOSA-N 1 0 322.405 3.385 20 5 DGBDRO COc1cc(NCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000360964960 434746746 /nfs/dbraw/zinc/74/67/46/434746746.db2.gz ZEUSEIKAQIKGHN-UHFFFAOYSA-N 1 0 315.373 3.147 20 5 DGBDRO C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000360888872 434722009 /nfs/dbraw/zinc/72/20/09/434722009.db2.gz JXAOLQSELJRCFZ-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO Cc1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nc1[N+](=O)[O-] ZINC000418973562 434734069 /nfs/dbraw/zinc/73/40/69/434734069.db2.gz OVWMORXUBREXSX-UHFFFAOYSA-N 1 0 314.389 3.134 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c(Cl)c1 ZINC000371704945 434738594 /nfs/dbraw/zinc/73/85/94/434738594.db2.gz YYEKBSZMEPOFBJ-CYBMUJFWSA-N 1 0 324.808 3.497 20 5 DGBDRO COCCCCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000419012778 434738618 /nfs/dbraw/zinc/73/86/18/434738618.db2.gz GCVXFMWWLSONAZ-UHFFFAOYSA-N 1 0 303.362 3.314 20 5 DGBDRO CO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000371736465 434743180 /nfs/dbraw/zinc/74/31/80/434743180.db2.gz XEMVLSBGEXHMCL-INIZCTEOSA-N 1 0 322.405 3.383 20 5 DGBDRO C[C@@H](c1ccco1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411199059 434744726 /nfs/dbraw/zinc/74/47/26/434744726.db2.gz YRNDGRQFTVWKLF-LBPRGKRZSA-N 1 0 317.345 3.209 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000361026515 434770996 /nfs/dbraw/zinc/77/09/96/434770996.db2.gz BCJKMIVNFQFFPA-ZBFHGGJFSA-N 1 0 304.390 3.233 20 5 DGBDRO Cc1c(C[NH+]2CCC(OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000419284579 434765571 /nfs/dbraw/zinc/76/55/71/434765571.db2.gz LNJZFWJULXRZIE-UHFFFAOYSA-N 1 0 304.390 3.437 20 5 DGBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361028381 434772208 /nfs/dbraw/zinc/77/22/08/434772208.db2.gz FSHRSHOIPOZHNL-NEPJUHHUSA-N 1 0 304.346 3.104 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419377682 434780036 /nfs/dbraw/zinc/78/00/36/434780036.db2.gz VGABVIHVSHLAQV-BFHYXJOUSA-N 1 0 319.405 3.208 20 5 DGBDRO CC(C)c1ccc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000361155384 434814507 /nfs/dbraw/zinc/81/45/07/434814507.db2.gz PHUNHDHMHMHHOK-KBPBESRZSA-N 1 0 305.422 3.243 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2=CCCCC2)n1 ZINC000453248080 434839758 /nfs/dbraw/zinc/83/97/58/434839758.db2.gz KPQCBVUKKJCNGQ-GJZGRUSLSA-N 1 0 304.394 3.365 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412042016 434859157 /nfs/dbraw/zinc/85/91/57/434859157.db2.gz MARULWYTVBMSLS-RYUDHWBXSA-N 1 0 305.378 3.042 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](CC(C)(C)C)C1(C)C ZINC000412042399 434859634 /nfs/dbraw/zinc/85/96/34/434859634.db2.gz VELJXZIYGWIKPV-LBPRGKRZSA-N 1 0 308.426 3.365 20 5 DGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000412046212 434860924 /nfs/dbraw/zinc/86/09/24/434860924.db2.gz QRFHEKDYTCFGLP-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO COc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000553152625 434880577 /nfs/dbraw/zinc/88/05/77/434880577.db2.gz ACRJXEZBSXNCJV-UHFFFAOYSA-N 1 0 321.421 3.160 20 5 DGBDRO CC(=O)c1cc(NCC2([NH+](C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000553251664 434883095 /nfs/dbraw/zinc/88/30/95/434883095.db2.gz DVMNRFDRIJMHBX-UHFFFAOYSA-N 1 0 319.405 3.474 20 5 DGBDRO Cc1cc(NC2CC[NH+](CC3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461780522 434886537 /nfs/dbraw/zinc/88/65/37/434886537.db2.gz OQRAFIUMHGHARP-UHFFFAOYSA-N 1 0 307.369 3.329 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000461965022 434894311 /nfs/dbraw/zinc/89/43/11/434894311.db2.gz LTXXZFPZAZIEFT-ZDUSSCGKSA-N 1 0 309.385 3.210 20 5 DGBDRO Cc1cc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461964798 434894345 /nfs/dbraw/zinc/89/43/45/434894345.db2.gz LBKLRROUYFWRKS-AWEZNQCLSA-N 1 0 321.396 3.210 20 5 DGBDRO CN(C)C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000573459268 434901512 /nfs/dbraw/zinc/90/15/12/434901512.db2.gz YKQONHJMOFQIEZ-OAHLLOKOSA-N 1 0 303.406 3.046 20 5 DGBDRO CCCc1nc(C)c(CNCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000492270535 434947954 /nfs/dbraw/zinc/94/79/54/434947954.db2.gz DFUHVXYFERJXID-UHFFFAOYSA-N 1 0 307.325 3.273 20 5 DGBDRO CCCN(C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH+](C)C ZINC000554883317 434949864 /nfs/dbraw/zinc/94/98/64/434949864.db2.gz BPIQNICYMKKIRB-YFHOEESVSA-N 1 0 305.422 3.272 20 5 DGBDRO CC(C)CC[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000574395105 434974820 /nfs/dbraw/zinc/97/48/20/434974820.db2.gz ZNAXISDXJPKWKG-CQSZACIVSA-N 1 0 314.813 3.177 20 5 DGBDRO CCOc1cc(CN2CCOC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000492459044 434986008 /nfs/dbraw/zinc/98/60/08/434986008.db2.gz FFVSJYJOQPVQFD-OAHLLOKOSA-N 1 0 322.405 3.240 20 5 DGBDRO COc1ccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000531233361 435079845 /nfs/dbraw/zinc/07/98/45/435079845.db2.gz HDSNHZDXYXUISJ-MRXNPFEDSA-N 1 0 312.369 3.420 20 5 DGBDRO CCOc1cc(C[NH+]2CCC(C)(COC)CC2)ccc1[N+](=O)[O-] ZINC000492722216 435041607 /nfs/dbraw/zinc/04/16/07/435041607.db2.gz MSTKMUGJHLSSQX-UHFFFAOYSA-N 1 0 322.405 3.242 20 5 DGBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493060038 435100658 /nfs/dbraw/zinc/10/06/58/435100658.db2.gz VMAGYPQPYDQZNG-OLZOCXBDSA-N 1 0 323.824 3.307 20 5 DGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000466931584 435100884 /nfs/dbraw/zinc/10/08/84/435100884.db2.gz XCKAUAWHMBJQKG-QWHCGFSZSA-N 1 0 308.378 3.103 20 5 DGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000467205090 435111376 /nfs/dbraw/zinc/11/13/76/435111376.db2.gz FYXFBZZXKALHRD-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000578805672 435112414 /nfs/dbraw/zinc/11/24/14/435112414.db2.gz ZYXUGCRKLYTILM-MRXNPFEDSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CN1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000579375328 435150431 /nfs/dbraw/zinc/15/04/31/435150431.db2.gz FJPGRLYUZMFAGS-LSDHHAIUSA-N 1 0 305.422 3.366 20 5 DGBDRO CCC(O)(CC)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000471801338 435138524 /nfs/dbraw/zinc/13/85/24/435138524.db2.gz WTQDWJQGDSFTFS-AWEZNQCLSA-N 1 0 308.422 3.447 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000532927373 435200891 /nfs/dbraw/zinc/20/08/91/435200891.db2.gz DMYOGLUZAWPIAX-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000533820992 435258169 /nfs/dbraw/zinc/25/81/69/435258169.db2.gz WQNXGEZVJNZRGV-HNNXBMFYSA-N 1 0 301.321 3.333 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CO[C@@H](C)C1 ZINC000567857366 435362145 /nfs/dbraw/zinc/36/21/45/435362145.db2.gz CGXVUOXHFVYSEE-YNEHKIRRSA-N 1 0 310.419 3.233 20 5 DGBDRO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000513822244 435402546 /nfs/dbraw/zinc/40/25/46/435402546.db2.gz YPRLPSGLDWQRHO-QGPMSJSTSA-N 1 0 318.417 3.322 20 5 DGBDRO C[C@@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000536668892 435402562 /nfs/dbraw/zinc/40/25/62/435402562.db2.gz IHJXELPSZKZYLT-NXEZZACHSA-N 1 0 300.305 3.284 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000480055463 435366060 /nfs/dbraw/zinc/36/60/60/435366060.db2.gz BNNMZRHATRLPLV-KBPBESRZSA-N 1 0 319.405 3.472 20 5 DGBDRO C[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000567906022 435369438 /nfs/dbraw/zinc/36/94/38/435369438.db2.gz ATJSIXUKKURRAQ-ZBKLQPJUSA-N 1 0 302.374 3.251 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000536578329 435390440 /nfs/dbraw/zinc/39/04/40/435390440.db2.gz VAWIFKQHPFIZCF-UHFFFAOYSA-N 1 0 321.421 3.162 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000568527987 435444818 /nfs/dbraw/zinc/44/48/18/435444818.db2.gz GYIRZVCPWWHAAO-UHFFFAOYSA-N 1 0 323.393 3.052 20 5 DGBDRO CCCC[C@@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000568697770 435461496 /nfs/dbraw/zinc/46/14/96/435461496.db2.gz ATTRAYJCMVVRBH-CYBMUJFWSA-N 1 0 307.394 3.068 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515311502 435474992 /nfs/dbraw/zinc/47/49/92/435474992.db2.gz MFYWOWBZCOAJSP-BBRMVZONSA-N 1 0 303.406 3.046 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000481617634 435437475 /nfs/dbraw/zinc/43/74/75/435437475.db2.gz VQTJPOHAGOOYAL-CYBMUJFWSA-N 1 0 308.378 3.104 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000481755797 435441165 /nfs/dbraw/zinc/44/11/65/435441165.db2.gz LERSNUMVAMEBSJ-IRXDYDNUSA-N 1 0 322.405 3.157 20 5 DGBDRO COCC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000514827083 435441343 /nfs/dbraw/zinc/44/13/43/435441343.db2.gz UCANAWQADQQLRO-OAHLLOKOSA-N 1 0 304.390 3.379 20 5 DGBDRO CC[C@H](C[N@H+](CC)CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000481761955 435441413 /nfs/dbraw/zinc/44/14/13/435441413.db2.gz RTSUEZCZNLCDKO-OAHLLOKOSA-N 1 0 316.405 3.307 20 5 DGBDRO CC(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000483245085 435503917 /nfs/dbraw/zinc/50/39/17/435503917.db2.gz GZHGMRDJXSYFOF-ZDUSSCGKSA-N 1 0 319.405 3.291 20 5 DGBDRO CCC[C@]1(CO)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000569392522 435529085 /nfs/dbraw/zinc/52/90/85/435529085.db2.gz OKPUUFPZANKHMM-BXBOZWQASA-N 1 0 318.417 3.483 20 5 DGBDRO CO[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000483856799 435532238 /nfs/dbraw/zinc/53/22/38/435532238.db2.gz HLUUPDFGHAVJSC-DOTOQJQBSA-N 1 0 306.406 3.177 20 5 DGBDRO CCN1CCCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482866022 435485364 /nfs/dbraw/zinc/48/53/64/435485364.db2.gz DTTBFNPZJRTJEE-CABCVRRESA-N 1 0 305.422 3.428 20 5 DGBDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482864343 435485618 /nfs/dbraw/zinc/48/56/18/435485618.db2.gz AQXTYVGAJQNWQV-HOCLYGCPSA-N 1 0 305.422 3.428 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000487989659 435630946 /nfs/dbraw/zinc/63/09/46/435630946.db2.gz AMOQDTFOLZKSST-YOEHRIQHSA-N 1 0 305.422 3.236 20 5 DGBDRO CC1(C)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000517616877 435603237 /nfs/dbraw/zinc/60/32/37/435603237.db2.gz PVIVDMMMBRWILX-LBPRGKRZSA-N 1 0 300.305 3.474 20 5 DGBDRO C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488736073 435643171 /nfs/dbraw/zinc/64/31/71/435643171.db2.gz QOFFQQFDTHUGCR-GFCCVEGCSA-N 1 0 307.369 3.045 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000488717991 435639697 /nfs/dbraw/zinc/63/96/97/435639697.db2.gz UAWVUTVIFLMSMS-CQSZACIVSA-N 1 0 303.406 3.214 20 5 DGBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548160236 435675666 /nfs/dbraw/zinc/67/56/66/435675666.db2.gz TZJZSIFIPCEGJM-KBPBESRZSA-N 1 0 319.405 3.482 20 5 DGBDRO CS[C@@H]1CCCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000548180223 435676334 /nfs/dbraw/zinc/67/63/34/435676334.db2.gz SYDVEZCTLIJFQI-GFCCVEGCSA-N 1 0 320.418 3.189 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000519179999 435672712 /nfs/dbraw/zinc/67/27/12/435672712.db2.gz FVRNVLHIORIQEX-IAQYHMDHSA-N 1 0 300.362 3.149 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cncc(F)c1 ZINC000571179106 435683696 /nfs/dbraw/zinc/68/36/96/435683696.db2.gz VSCDTFKNXHWFOE-BONVTDFDSA-N 1 0 301.321 3.467 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCC(C)CC1 ZINC000571536372 435713913 /nfs/dbraw/zinc/71/39/13/435713913.db2.gz FXQHLJNWSCOADV-YOEHRIQHSA-N 1 0 317.433 3.292 20 5 DGBDRO C[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000572969565 435886320 /nfs/dbraw/zinc/88/63/20/435886320.db2.gz ZVYVEPUUPWMNBK-QWHCGFSZSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@@H](CN1CCC(C)CC1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572900435 435880835 /nfs/dbraw/zinc/88/08/35/435880835.db2.gz DYNKCQLLENXMRC-YOEHRIQHSA-N 1 0 317.433 3.292 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451613996 301869620 /nfs/dbraw/zinc/86/96/20/301869620.db2.gz ODNGYMVRDLGYSI-JBBXEZCESA-N 1 0 318.417 3.351 20 5 DGBDRO CCC(=O)c1ccc(NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000530370073 313361627 /nfs/dbraw/zinc/36/16/27/313361627.db2.gz RPINRTXSORZNSA-CYBMUJFWSA-N 1 0 319.405 3.330 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000536859051 313788364 /nfs/dbraw/zinc/78/83/64/313788364.db2.gz QFYGKOHPNHMOQN-JSGCOSHPSA-N 1 0 316.405 3.395 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1(COC)CC1 ZINC000537447561 313813770 /nfs/dbraw/zinc/81/37/70/313813770.db2.gz ADZRGMOCIMHYNZ-LBPRGKRZSA-N 1 0 310.419 3.234 20 5 DGBDRO CCc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000540169515 313950818 /nfs/dbraw/zinc/95/08/18/313950818.db2.gz VDXVZCSFYRTRGO-GFCCVEGCSA-N 1 0 304.346 3.480 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccc(F)c(F)c1F ZINC000543412106 314132218 /nfs/dbraw/zinc/13/22/18/314132218.db2.gz VTFVXBCSAXQQDA-UHFFFAOYSA-N 1 0 310.275 3.344 20 5 DGBDRO CCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000544529526 314196795 /nfs/dbraw/zinc/19/67/95/314196795.db2.gz HYAMTLCBJJUMIZ-CQSZACIVSA-N 1 0 319.405 3.496 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000546190849 314295074 /nfs/dbraw/zinc/29/50/74/314295074.db2.gz DIIJIPGMDKCKEU-JTQLQIEISA-N 1 0 317.336 3.338 20 5 DGBDRO CCc1ccc([C@H](CNc2ccc([N+](=O)[O-])nc2)[NH+](C)C)cc1 ZINC000559564079 314886916 /nfs/dbraw/zinc/88/69/16/314886916.db2.gz CKQKWSUKMLUFDF-INIZCTEOSA-N 1 0 314.389 3.267 20 5 DGBDRO CO[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000559897033 314894495 /nfs/dbraw/zinc/89/44/95/314894495.db2.gz FKKHBGYTRJNFGC-CVEARBPZSA-N 1 0 304.390 3.332 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1COc2ccccc21 ZINC000563419070 315113695 /nfs/dbraw/zinc/11/36/95/315113695.db2.gz RWCRUZDCGBHBTG-LRDDRELGSA-N 1 0 310.353 3.348 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000564326548 315169782 /nfs/dbraw/zinc/16/97/82/315169782.db2.gz JMASEQRFEIPSSS-WBVHZDCISA-N 1 0 304.390 3.294 20 5 DGBDRO COc1cccc(C2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000564415165 315174915 /nfs/dbraw/zinc/17/49/15/315174915.db2.gz PDIZFFCKXBPMCM-UHFFFAOYSA-N 1 0 312.369 3.425 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1Cc2ccccc2C1 ZINC000564507386 315179869 /nfs/dbraw/zinc/17/98/69/315179869.db2.gz VABBWWWJYPPCAH-UHFFFAOYSA-N 1 0 310.397 3.484 20 5 DGBDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565476564 315264356 /nfs/dbraw/zinc/26/43/56/315264356.db2.gz KWHNCYOYJGQJAN-ZBFHGGJFSA-N 1 0 322.405 3.059 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC000565988846 315302726 /nfs/dbraw/zinc/30/27/26/315302726.db2.gz GKOTTZZSHODCCE-WMLDXEAASA-N 1 0 304.390 3.110 20 5 DGBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCCC1 ZINC000569007451 315551995 /nfs/dbraw/zinc/55/19/95/315551995.db2.gz WSQRIMUZGHMKFH-OAHLLOKOSA-N 1 0 306.410 3.302 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CSCC1CC[NH2+]CC1 ZINC000570088625 315624445 /nfs/dbraw/zinc/62/44/45/315624445.db2.gz LCIHIOYRIRMJCI-UHFFFAOYSA-N 1 0 300.811 3.481 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC1(C)C ZINC000576885395 316179025 /nfs/dbraw/zinc/17/90/25/316179025.db2.gz PANAJXQGJHKKIH-CQSZACIVSA-N 1 0 305.378 3.010 20 5 DGBDRO CCCCN(C)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000577050606 316196316 /nfs/dbraw/zinc/19/63/16/316196316.db2.gz CIIYJIXAUWYNGG-KRWDZBQOSA-N 1 0 305.422 3.294 20 5 DGBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181357184 323252407 /nfs/dbraw/zinc/25/24/07/323252407.db2.gz OLEISIIQTAGENZ-ZDUSSCGKSA-N 1 0 316.357 3.333 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000181695444 323264054 /nfs/dbraw/zinc/26/40/54/323264054.db2.gz WQWRQDYVGUCXPK-HZPDHXFCSA-N 1 0 320.389 3.041 20 5 DGBDRO CCOc1cccc(NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000183135090 323327171 /nfs/dbraw/zinc/32/71/71/323327171.db2.gz LPVKELPODWKOLO-ZDUSSCGKSA-N 1 0 319.361 3.301 20 5 DGBDRO CC(C)([NH2+]Cc1ccc2[nH]cnc2c1)c1ccccc1[N+](=O)[O-] ZINC000581584104 324133083 /nfs/dbraw/zinc/13/30/83/324133083.db2.gz TUCFAARUAPSFNP-UHFFFAOYSA-N 1 0 310.357 3.496 20 5 DGBDRO C[C@H](Cc1ccsc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000581702702 324146866 /nfs/dbraw/zinc/14/68/66/324146866.db2.gz JDAKGNGCAIYMAR-GFCCVEGCSA-N 1 0 320.418 3.121 20 5 DGBDRO C[C@H](Cc1ccsc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000581705935 324147703 /nfs/dbraw/zinc/14/77/03/324147703.db2.gz RYZADWVXLIQEKK-SNVBAGLBSA-N 1 0 316.386 3.253 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CCCC[C@@H]3O)C2)cc1 ZINC000582847907 324283851 /nfs/dbraw/zinc/28/38/51/324283851.db2.gz CEGMSBUWYCDXGX-RYRKJORJSA-N 1 0 318.417 3.325 20 5 DGBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000583482214 324360256 /nfs/dbraw/zinc/36/02/56/324360256.db2.gz DRMRMHITOQCVMM-MRXNPFEDSA-N 1 0 301.346 3.110 20 5 DGBDRO CC(C)[C@H](CO)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000583771389 324396055 /nfs/dbraw/zinc/39/60/55/324396055.db2.gz XNTSZOMRVYAOJE-XIRDDKMYSA-N 1 0 320.433 3.160 20 5 DGBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc2ccccc2c2cccnc12 ZINC000515302005 337985124 /nfs/dbraw/zinc/98/51/24/337985124.db2.gz GQINJPKJXZNUCF-QWHCGFSZSA-N 1 0 307.397 3.244 20 5 DGBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000414560965 533752287 /nfs/dbraw/zinc/75/22/87/533752287.db2.gz XXGRDDFAVAXKCA-YJBOKZPZSA-N 1 0 312.369 3.497 20 5 DGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444590690 533761697 /nfs/dbraw/zinc/76/16/97/533761697.db2.gz MFYDDNITOHUQEU-VXGBXAGGSA-N 1 0 302.378 3.482 20 5 DGBDRO C[C@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000436405006 533765633 /nfs/dbraw/zinc/76/56/33/533765633.db2.gz FYINGNXOEMPVQD-ONGXEEELSA-N 1 0 300.305 3.474 20 5 DGBDRO COc1cc(C[NH2+]CC(C)(C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000189470321 533871635 /nfs/dbraw/zinc/87/16/35/533871635.db2.gz UIGCSCWHLKONOE-UHFFFAOYSA-N 1 0 310.394 3.384 20 5 DGBDRO Cc1ccc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430119371 533932857 /nfs/dbraw/zinc/93/28/57/533932857.db2.gz GFVBRQYYOMIYPK-FRFSOERESA-N 1 0 317.433 3.065 20 5 DGBDRO C[C@H](CCO)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417351152 533963879 /nfs/dbraw/zinc/96/38/79/533963879.db2.gz RCGDQFVDLYTCPC-SUMWQHHRSA-N 1 0 306.406 3.361 20 5 DGBDRO Cc1cc(NCc2nnc(C3CC3)[nH]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000295033739 534001289 /nfs/dbraw/zinc/00/12/89/534001289.db2.gz VWXZIGIITWPGEU-UHFFFAOYSA-N 1 0 324.344 3.059 20 5 DGBDRO CS[C@H]1CCCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000441101178 534086252 /nfs/dbraw/zinc/08/62/52/534086252.db2.gz JNDROHQWOQNAJH-HNNXBMFYSA-N 1 0 310.419 3.191 20 5 DGBDRO Cc1ccc(-c2noc(C[NH+]3[C@@H](C)CC[C@@H]3C)n2)cc1[N+](=O)[O-] ZINC000443207106 534232606 /nfs/dbraw/zinc/23/26/06/534232606.db2.gz YOILXIHGQPQMJH-RYUDHWBXSA-N 1 0 316.361 3.326 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415297923 534322636 /nfs/dbraw/zinc/32/26/36/534322636.db2.gz OUVVUXJZECVKTC-CYBMUJFWSA-N 1 0 322.409 3.049 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000339395427 519230873 /nfs/dbraw/zinc/23/08/73/519230873.db2.gz QCRMRFYUFGBACI-QDZRJHCZSA-N 1 0 302.334 3.194 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000339395426 519373923 /nfs/dbraw/zinc/37/39/23/519373923.db2.gz QCRMRFYUFGBACI-KRZKBDHCSA-N 1 0 302.334 3.194 20 5 DGBDRO Cc1cc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000153630086 525196601 /nfs/dbraw/zinc/19/66/01/525196601.db2.gz VIBXUWYJFGTGIY-LBPRGKRZSA-N 1 0 322.409 3.001 20 5 DGBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294033808 526627903 /nfs/dbraw/zinc/62/79/03/526627903.db2.gz IFTDVSJZBNNNAF-GFCCVEGCSA-N 1 0 320.311 3.110 20 5 DGBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000193096760 528114742 /nfs/dbraw/zinc/11/47/42/528114742.db2.gz XMKVCMDSKCBUHS-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430640506 528210182 /nfs/dbraw/zinc/21/01/82/528210182.db2.gz QZSTWBICSOWQDC-BBRMVZONSA-N 1 0 321.421 3.084 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413160422 528261328 /nfs/dbraw/zinc/26/13/28/528261328.db2.gz AGPCACAVRRBNDG-OAHLLOKOSA-N 1 0 314.389 3.064 20 5 DGBDRO CC[NH2+]CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414830282 528330227 /nfs/dbraw/zinc/33/02/27/528330227.db2.gz NVCPPXAEXMTJKL-UHFFFAOYSA-N 1 0 305.403 3.022 20 5 DGBDRO CC[N@H+](CCNc1ccnc2c1cccc2[N+](=O)[O-])C(C)C ZINC000432323897 528519288 /nfs/dbraw/zinc/51/92/88/528519288.db2.gz DUMREWUOPZQSPG-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO CC(C)[N@H+](C)CCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000318704819 528818208 /nfs/dbraw/zinc/81/82/08/528818208.db2.gz HZDBAMGZXJZJTD-UHFFFAOYSA-N 1 0 320.315 3.151 20 5 DGBDRO CC1(C)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000434714495 529010409 /nfs/dbraw/zinc/01/04/09/529010409.db2.gz QNPYSKDSGVRUCV-UHFFFAOYSA-N 1 0 310.419 3.191 20 5 DGBDRO CC1(C)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000434672691 529011620 /nfs/dbraw/zinc/01/16/20/529011620.db2.gz ZKDNDUBHTCEWPR-UHFFFAOYSA-N 1 0 310.419 3.191 20 5 DGBDRO CC(C)[N@H+]1C[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)[C@@H](C)C1 ZINC000413184732 529107023 /nfs/dbraw/zinc/10/70/23/529107023.db2.gz KHWLQANZCKARLA-WFASDCNBSA-N 1 0 314.389 3.284 20 5 DGBDRO CCN(CC)C[C@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468630267 535589198 /nfs/dbraw/zinc/58/91/98/535589198.db2.gz OETXZYOJLLJSDH-LTBFUDJGSA-N 1 0 305.422 3.318 20 5 DGBDRO CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000495439008 535906220 /nfs/dbraw/zinc/90/62/20/535906220.db2.gz JYUASHJXHFHBRZ-JSGCOSHPSA-N 1 0 312.797 3.195 20 5 DGBDRO C[NH+](C)Cc1ccccc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000487554252 536045344 /nfs/dbraw/zinc/04/53/44/536045344.db2.gz CWHBASKWNGSZRN-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO CCc1cnc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449167930 536054335 /nfs/dbraw/zinc/05/43/35/536054335.db2.gz CEZHUVAQFGZMNM-LLVKDONJSA-N 1 0 305.403 3.335 20 5 DGBDRO COc1cc(C)ccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000449130825 536652139 /nfs/dbraw/zinc/65/21/39/536652139.db2.gz ICLZBOICPHKZMD-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC000451551551 536749752 /nfs/dbraw/zinc/74/97/52/536749752.db2.gz WKTIDLSDQACJBT-BBRMVZONSA-N 1 0 322.405 3.239 20 5 DGBDRO CCCCN(C)c1ccc(Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC000730566935 574532035 /nfs/dbraw/zinc/53/20/35/574532035.db2.gz IGPAGADNOVFBPH-UHFFFAOYSA-N 1 0 303.366 3.308 20 5 DGBDRO CC[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCC1 ZINC000738053327 574858275 /nfs/dbraw/zinc/85/82/75/574858275.db2.gz KNBKSOZLXHEUKN-UHFFFAOYSA-N 1 0 300.362 3.290 20 5 DGBDRO C[C@@H]1C[C@H](C)[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000740859991 574943804 /nfs/dbraw/zinc/94/38/04/574943804.db2.gz ODVFPBJHONCMDU-OLZOCXBDSA-N 1 0 300.362 3.146 20 5 DGBDRO OCC(CO)[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000742377985 574994161 /nfs/dbraw/zinc/99/41/61/574994161.db2.gz LWZNKMPJBZKDHI-UHFFFAOYSA-N 1 0 315.800 3.089 20 5 DGBDRO C[C@@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+]1C ZINC000742412027 574997994 /nfs/dbraw/zinc/99/79/94/574997994.db2.gz MQOUTGXCWLRTRQ-NXEZZACHSA-N 1 0 306.391 3.099 20 5 DGBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000743263215 575040917 /nfs/dbraw/zinc/04/09/17/575040917.db2.gz ITNMUURIYKRLIG-SFHVURJKSA-N 1 0 314.385 3.077 20 5 DGBDRO CC[C@]1(C)CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000743390126 575048889 /nfs/dbraw/zinc/04/88/89/575048889.db2.gz ZUQPDXZSHUFWGI-MRXNPFEDSA-N 1 0 302.378 3.414 20 5 DGBDRO CC1(C)CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000743390496 575049069 /nfs/dbraw/zinc/04/90/69/575049069.db2.gz LQIUDIFKCQTOQM-UHFFFAOYSA-N 1 0 300.362 3.148 20 5 DGBDRO COc1ccc(OCC[NH+]2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000743835664 575064359 /nfs/dbraw/zinc/06/43/59/575064359.db2.gz FQTCTYJZMOXDHK-UHFFFAOYSA-N 1 0 308.378 3.248 20 5 DGBDRO Cc1cc(F)ccc1[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000746654245 575467158 /nfs/dbraw/zinc/46/71/58/575467158.db2.gz IAXKMRPDOIBKLF-QGZVFWFLSA-N 1 0 318.348 3.208 20 5 DGBDRO CO[C@@H](C)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000746676071 575469696 /nfs/dbraw/zinc/46/96/96/575469696.db2.gz ZLQSCDIFLQTCKO-NSHDSACASA-N 1 0 300.786 3.494 20 5 DGBDRO C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)[NH+]1[C@H](C)CC[C@H]1C ZINC000746985949 575488193 /nfs/dbraw/zinc/48/81/93/575488193.db2.gz TZXOQAVMAIJJRM-IJLUTSLNSA-N 1 0 324.352 3.038 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCSc2ccccc2)c1 ZINC000749641294 575670591 /nfs/dbraw/zinc/67/05/91/575670591.db2.gz XJORMLVGHGHDCK-MRXNPFEDSA-N 1 0 318.398 3.010 20 5 DGBDRO CCc1ccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749645974 575670628 /nfs/dbraw/zinc/67/06/28/575670628.db2.gz JEYZBRWZACZZGH-SFHVURJKSA-N 1 0 314.385 3.323 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000749687197 575672594 /nfs/dbraw/zinc/67/25/94/575672594.db2.gz IDKGHVVEZWRJPU-IRXDYDNUSA-N 1 0 316.332 3.044 20 5 DGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000751483343 575786691 /nfs/dbraw/zinc/78/66/91/575786691.db2.gz VMXNISKKZHRACU-CABCVRRESA-N 1 0 323.824 3.307 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCC[NH+]1CCC1 ZINC000751948426 575813828 /nfs/dbraw/zinc/81/38/28/575813828.db2.gz XQPGVMACQLXTGH-UHFFFAOYSA-N 1 0 323.702 3.385 20 5 DGBDRO [NH3+][C@@H]1CCc2ccccc2N(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852755246 620646060 /nfs/dbraw/zinc/64/60/60/620646060.db2.gz IPNWYOUMYKXXFH-OAHLLOKOSA-N 1 0 315.348 3.014 20 5 DGBDRO C[NH+](C)CC1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853184259 620675536 /nfs/dbraw/zinc/67/55/36/620675536.db2.gz FAOOSHVOHCCGNM-UHFFFAOYSA-N 1 0 313.348 3.310 20 5 DGBDRO C[C@H]1CCCCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853499763 620702601 /nfs/dbraw/zinc/70/26/01/620702601.db2.gz UGAKBWONWLSXNL-ZDUSSCGKSA-N 1 0 315.377 3.075 20 5 DGBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111404192 620710438 /nfs/dbraw/zinc/71/04/38/620710438.db2.gz LZFWOCMDQMRVNF-AWEZNQCLSA-N 1 0 300.786 3.135 20 5 DGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853605882 620714943 /nfs/dbraw/zinc/71/49/43/620714943.db2.gz NJYPBJRWCLEHGE-QXMXGUDHSA-N 1 0 300.362 3.165 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000853748654 620732347 /nfs/dbraw/zinc/73/23/47/620732347.db2.gz PVIFGGSBFINPNY-CYBMUJFWSA-N 1 0 305.378 3.082 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000853747645 620732582 /nfs/dbraw/zinc/73/25/82/620732582.db2.gz WBOCKABMDMVWHO-NSHDSACASA-N 1 0 322.365 3.035 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000853746272 620732642 /nfs/dbraw/zinc/73/26/42/620732642.db2.gz HOXZGLKDJMYKJP-LLVKDONJSA-N 1 0 322.365 3.035 20 5 DGBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811491886 617607856 /nfs/dbraw/zinc/60/78/56/617607856.db2.gz RJBWYJSXYOMGSE-WDEREUQCSA-N 1 0 319.188 3.151 20 5 DGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000804813745 617674650 /nfs/dbraw/zinc/67/46/50/617674650.db2.gz TXZDCGVNYODHED-DGCLKSJQSA-N 1 0 309.797 3.311 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000891870814 617916014 /nfs/dbraw/zinc/91/60/14/617916014.db2.gz RUVYJTRZQSZLJN-ZDUSSCGKSA-N 1 0 306.362 3.074 20 5 DGBDRO COC1CCC(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000892053634 617952473 /nfs/dbraw/zinc/95/24/73/617952473.db2.gz XMJNMYSWEYSVDT-UHFFFAOYSA-N 1 0 304.390 3.158 20 5 DGBDRO CC[NH+](CC)CCCN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000919880924 620770027 /nfs/dbraw/zinc/77/00/27/620770027.db2.gz ZUQPBGMOYDNBLH-UHFFFAOYSA-N 1 0 313.829 3.412 20 5 DGBDRO Cc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c2c(n1)CCCC2 ZINC000892608223 618117794 /nfs/dbraw/zinc/11/77/94/618117794.db2.gz OAGDDYZUZUPAQO-UHFFFAOYSA-N 1 0 311.385 3.467 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000894473534 618343457 /nfs/dbraw/zinc/34/34/57/618343457.db2.gz VVNPHDPLGPWACS-INIZCTEOSA-N 1 0 320.776 3.462 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C2CC(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000894624594 618404334 /nfs/dbraw/zinc/40/43/34/618404334.db2.gz VSICXGQVIZRJSG-UHFFFAOYSA-N 1 0 308.378 3.223 20 5 DGBDRO C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000894657745 618414512 /nfs/dbraw/zinc/41/45/12/618414512.db2.gz OHVSRWOBNZSFQA-NSHDSACASA-N 1 0 300.362 3.057 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894796906 618459068 /nfs/dbraw/zinc/45/90/68/618459068.db2.gz MTHZILOADHICPW-VWILAXROSA-N 1 0 320.389 3.131 20 5 DGBDRO C[NH+](C)C1(C)CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000894852025 618476382 /nfs/dbraw/zinc/47/63/82/618476382.db2.gz RMQWQSUVERITEU-UHFFFAOYSA-N 1 0 320.418 3.125 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCC[NH+]1CCCC1 ZINC000854511829 620811347 /nfs/dbraw/zinc/81/13/47/620811347.db2.gz ZZQXMYYQLSXQME-UHFFFAOYSA-N 1 0 319.405 3.416 20 5 DGBDRO CC1=NO[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000895309610 618593080 /nfs/dbraw/zinc/59/30/80/618593080.db2.gz CWQQGOOBKRFYOZ-HNNXBMFYSA-N 1 0 315.329 3.109 20 5 DGBDRO COc1c(O)ccc(C[NH2+]Cc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000895361307 618602519 /nfs/dbraw/zinc/60/25/19/618602519.db2.gz XIQANBIFTHLJTK-UHFFFAOYSA-N 1 0 316.357 3.216 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C(C)(C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000893874049 618669597 /nfs/dbraw/zinc/66/95/97/618669597.db2.gz GUXKPVPLFNVODC-UHFFFAOYSA-N 1 0 322.283 3.130 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1CSC1 ZINC000895423856 618783731 /nfs/dbraw/zinc/78/37/31/618783731.db2.gz YBPLBHVRGALAFP-UHFFFAOYSA-N 1 0 306.309 3.066 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779919 618831842 /nfs/dbraw/zinc/83/18/42/618831842.db2.gz VMLUQOHVDRWCEM-QDPHKQGLSA-N 1 0 304.415 3.293 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895843291 618837998 /nfs/dbraw/zinc/83/79/98/618837998.db2.gz ATIXFEQVTUIWQK-WJANQJKRSA-N 1 0 316.401 3.499 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895869624 618844684 /nfs/dbraw/zinc/84/46/84/618844684.db2.gz GTQZKQPUAANYRB-CLTKARDFSA-N 1 0 316.401 3.283 20 5 DGBDRO C[NH+](C)CC[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1cccnc1 ZINC000895893314 618846783 /nfs/dbraw/zinc/84/67/83/618846783.db2.gz WBWPKLKNVXGHIS-AWEZNQCLSA-N 1 0 318.352 3.234 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000895931558 618850839 /nfs/dbraw/zinc/85/08/39/618850839.db2.gz NPKQXAQABURYLT-XEGUGMAKSA-N 1 0 310.781 3.295 20 5 DGBDRO CCO[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000896405619 618908686 /nfs/dbraw/zinc/90/86/86/618908686.db2.gz GWQQTSUYOSULBL-ZDUSSCGKSA-N 1 0 301.346 3.067 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCn3cccc3C2)c1 ZINC000896759765 618954844 /nfs/dbraw/zinc/95/48/44/618954844.db2.gz FFRHCZHDJFJNMC-UHFFFAOYSA-N 1 0 323.299 3.014 20 5 DGBDRO CO[C@@H]1CC[C@H]1N(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000897147385 619022739 /nfs/dbraw/zinc/02/27/39/619022739.db2.gz LMWDGJJVALOCAC-GDBMZVCRSA-N 1 0 301.346 3.065 20 5 DGBDRO CCC(O)(CC)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000788272496 619041087 /nfs/dbraw/zinc/04/10/87/619041087.db2.gz AJRKQLNMIFRTNZ-UHFFFAOYSA-N 1 0 300.786 3.279 20 5 DGBDRO COc1nccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1F ZINC000897460418 619130222 /nfs/dbraw/zinc/13/02/22/619130222.db2.gz RXWXWARRIAVKDX-NSHDSACASA-N 1 0 319.336 3.031 20 5 DGBDRO C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000897459902 619130270 /nfs/dbraw/zinc/13/02/70/619130270.db2.gz PIMBHLSEWSHJOD-KLHDSHLOSA-N 1 0 318.417 3.493 20 5 DGBDRO COC1CCC(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897461799 619130673 /nfs/dbraw/zinc/13/06/73/619130673.db2.gz XTCQAPACTPEDNX-NFOMZHRRSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccc2c(n1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000897465418 619130711 /nfs/dbraw/zinc/13/07/11/619130711.db2.gz VVDKPXAGVRRKOI-ZDUSSCGKSA-N 1 0 311.385 3.372 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897529213 619149493 /nfs/dbraw/zinc/14/94/93/619149493.db2.gz WVHRZVCEVCBMNT-AWEZNQCLSA-N 1 0 318.417 3.201 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC000925312788 619158451 /nfs/dbraw/zinc/15/84/51/619158451.db2.gz JVVFIPYGPRXLFA-GFCCVEGCSA-N 1 0 300.362 3.367 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@H]2CCCC3(CC3)C2)c1[N+](=O)[O-] ZINC000897772574 619178906 /nfs/dbraw/zinc/17/89/06/619178906.db2.gz YFOTXIGGDNNHQY-LBPRGKRZSA-N 1 0 306.362 3.121 20 5 DGBDRO CNc1ccc(C)cc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000902125384 619593306 /nfs/dbraw/zinc/59/33/06/619593306.db2.gz RJMKKALMIYLTJH-UHFFFAOYSA-N 1 0 315.373 3.243 20 5 DGBDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000902789106 619676993 /nfs/dbraw/zinc/67/69/93/619676993.db2.gz BWAVBYJXXSMTRW-UKRRQHHQSA-N 1 0 308.378 3.041 20 5 DGBDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000902789107 619677075 /nfs/dbraw/zinc/67/70/75/619677075.db2.gz BWAVBYJXXSMTRW-ZFWWWQNUSA-N 1 0 308.378 3.041 20 5 DGBDRO CCC[NH+]1CCC(N[C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903057518 619707275 /nfs/dbraw/zinc/70/72/75/619707275.db2.gz CULMETLNAMOJRM-ZDUSSCGKSA-N 1 0 321.421 3.128 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)CC(C)(C)OC)cc([N+](=O)[O-])c1 ZINC000903103063 619716978 /nfs/dbraw/zinc/71/69/78/619716978.db2.gz DGFKRLLULCVPEQ-NEPJUHHUSA-N 1 0 310.394 3.458 20 5 DGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903103815 619716986 /nfs/dbraw/zinc/71/69/86/619716986.db2.gz AIGRCWJYWXUUCY-OUCADQQQSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)CC(C)(C)OC)cc([N+](=O)[O-])c1 ZINC000903103066 619717210 /nfs/dbraw/zinc/71/72/10/619717210.db2.gz DGFKRLLULCVPEQ-VXGBXAGGSA-N 1 0 310.394 3.458 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903110632 619718178 /nfs/dbraw/zinc/71/81/78/619718178.db2.gz FGPIHJGOTBIETD-AGIUHOORSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903114020 619719804 /nfs/dbraw/zinc/71/98/04/619719804.db2.gz SDXCMZYSJXLLQP-AGIUHOORSA-N 1 0 308.378 3.069 20 5 DGBDRO COCCC1(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903127497 619722628 /nfs/dbraw/zinc/72/26/28/619722628.db2.gz ZIENMZUJKYVZFF-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2OC)cc([N+](=O)[O-])c1 ZINC000903130533 619723048 /nfs/dbraw/zinc/72/30/48/619723048.db2.gz CRQYUQRBXIAXKU-OZVIIMIRSA-N 1 0 308.378 3.069 20 5 DGBDRO CCC(O)(CC)CC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903158150 619726986 /nfs/dbraw/zinc/72/69/86/619726986.db2.gz RLRCYRBJQIPCIX-GFCCVEGCSA-N 1 0 310.394 3.195 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]Cc2cnc(C)cc2C)cc([N+](=O)[O-])c1 ZINC000903185256 619732379 /nfs/dbraw/zinc/73/23/79/619732379.db2.gz CGSHZSYLPAXSCV-CYBMUJFWSA-N 1 0 315.373 3.466 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCOC2(C)C)cc([N+](=O)[O-])c1 ZINC000903202801 619735849 /nfs/dbraw/zinc/73/58/49/619735849.db2.gz GGFNMFPMGUDNKR-YPMHNXCESA-N 1 0 308.378 3.069 20 5 DGBDRO COCC1CCC([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903190433 619737218 /nfs/dbraw/zinc/73/72/18/619737218.db2.gz VCKLGDZFJCIVHO-OPFPJEHXSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CC(C)(C)CO2)cc([N+](=O)[O-])c1 ZINC000903216967 619740174 /nfs/dbraw/zinc/74/01/74/619740174.db2.gz LUJMYYJJBUKKSR-XHDPSFHLSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CC3(CCC3)CO2)cc([N+](=O)[O-])c1 ZINC000903218900 619741070 /nfs/dbraw/zinc/74/10/70/619741070.db2.gz DXZUXUYCRYQNKI-BLLLJJGKSA-N 1 0 320.389 3.213 20 5 DGBDRO CC(C)[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000903246364 619742570 /nfs/dbraw/zinc/74/25/70/619742570.db2.gz TYUOAILPTFFTEK-CXAGYDPISA-N 1 0 316.405 3.419 20 5 DGBDRO Cc1cc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])nn1C ZINC000903244747 619743203 /nfs/dbraw/zinc/74/32/03/619743203.db2.gz CNCXPUSFSVYCLR-YPMHNXCESA-N 1 0 302.378 3.091 20 5 DGBDRO C[C@@H](C[NH2+][C@H](C)c1cc2n(n1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000903244727 619743315 /nfs/dbraw/zinc/74/33/15/619743315.db2.gz CDJVDHWIVSYHMW-QWHCGFSZSA-N 1 0 314.389 3.192 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCCc2cn[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000903246161 619743560 /nfs/dbraw/zinc/74/35/60/619743560.db2.gz RQFJWNFEJKRNQN-RISCZKNCSA-N 1 0 300.362 3.089 20 5 DGBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244939 619743599 /nfs/dbraw/zinc/74/35/99/619743599.db2.gz GQZDSEWTOQFIEY-YCPHGPKFSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCCc2nn(C)cc21)c1ccccc1[N+](=O)[O-] ZINC000903245006 619743718 /nfs/dbraw/zinc/74/37/18/619743718.db2.gz IAFGFSDMOPSMAG-DOMZBBRYSA-N 1 0 314.389 3.099 20 5 DGBDRO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244937 619743761 /nfs/dbraw/zinc/74/37/61/619743761.db2.gz GQZDSEWTOQFIEY-IJEWVQPXSA-N 1 0 306.406 3.493 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000903246121 619744045 /nfs/dbraw/zinc/74/40/45/619744045.db2.gz RCEWFHKEEMXJLA-GXTWGEPZSA-N 1 0 300.362 3.020 20 5 DGBDRO CCCn1cc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000903245867 619744102 /nfs/dbraw/zinc/74/41/02/619744102.db2.gz PLQOCPWCLAMMKJ-CHWSQXEVSA-N 1 0 317.393 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc([N+](=O)[O-])c1 ZINC000903263111 619747471 /nfs/dbraw/zinc/74/74/71/619747471.db2.gz KLDHIMFFJXWZSD-DCGLDWPTSA-N 1 0 322.405 3.195 20 5 DGBDRO CCn1cc([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000903247069 619747745 /nfs/dbraw/zinc/74/77/45/619747745.db2.gz YHIPJGAAVHBKPI-STQMWFEESA-N 1 0 302.378 3.266 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000903247072 619748213 /nfs/dbraw/zinc/74/82/13/619748213.db2.gz YIKDHRAGUVGRFU-IUODEOHRSA-N 1 0 302.378 3.173 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CCO)C1CCCC1 ZINC000903296175 619752780 /nfs/dbraw/zinc/75/27/80/619752780.db2.gz HHXSBLFITLVHOT-BLLLJJGKSA-N 1 0 322.405 3.195 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1cncs1 ZINC000903306204 619756538 /nfs/dbraw/zinc/75/65/38/619756538.db2.gz VXKZGJOANLRPBA-VHSXEESVSA-N 1 0 309.366 3.472 20 5 DGBDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCSC1 ZINC000903311467 619757675 /nfs/dbraw/zinc/75/76/75/619757675.db2.gz UOIPARDSRKWTLR-WFASDCNBSA-N 1 0 310.419 3.076 20 5 DGBDRO CO[C@@]1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCSC1 ZINC000903311252 619757730 /nfs/dbraw/zinc/75/77/30/619757730.db2.gz QYKRVPAJVXAARE-CZUORRHYSA-N 1 0 324.446 3.028 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC(CCO)C1 ZINC000903331677 619762358 /nfs/dbraw/zinc/76/23/58/619762358.db2.gz FIHSPENCALLVAV-VOMCLLRMSA-N 1 0 310.419 3.128 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(OC(C)C)CCOC2)cc1[N+](=O)[O-] ZINC000903359297 619764863 /nfs/dbraw/zinc/76/48/63/619764863.db2.gz BQZWOTKJZUHZCD-WMLDXEAASA-N 1 0 322.405 3.138 20 5 DGBDRO CC[C@H]([NH2+]C[C@]1(OC(C)C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000903359596 619765201 /nfs/dbraw/zinc/76/52/01/619765201.db2.gz DQIQOKWSADWMND-DLBZAZTESA-N 1 0 322.405 3.220 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H]2CCOC23CCCC3)cc([N+](=O)[O-])c1 ZINC000903390358 619770865 /nfs/dbraw/zinc/77/08/65/619770865.db2.gz VDFPYIZSNWVDNX-LRDDRELGSA-N 1 0 320.389 3.356 20 5 DGBDRO CC(C)(C)[NH2+]CCC(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000903444652 619777833 /nfs/dbraw/zinc/77/78/33/619777833.db2.gz QBAAUASTNMCAMB-UHFFFAOYSA-N 1 0 314.769 3.070 20 5 DGBDRO CC1(C)CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1[NH3+] ZINC000903984580 619851976 /nfs/dbraw/zinc/85/19/76/619851976.db2.gz KOWBBAPEFANASM-MRXNPFEDSA-N 1 0 315.373 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H]2CCCC2(F)F)cc1 ZINC000905422846 619996192 /nfs/dbraw/zinc/99/61/92/619996192.db2.gz LBHRLGOTBPEUFH-GXTWGEPZSA-N 1 0 314.332 3.043 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCSC3(CCC3)C2)cc1 ZINC000905601263 620008735 /nfs/dbraw/zinc/00/87/35/620008735.db2.gz OSCZJXXMBGYPCS-HIFRSBDPSA-N 1 0 322.430 3.036 20 5 DGBDRO O=C(CC[NH2+][C@H]1CCCC2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000905663260 620014930 /nfs/dbraw/zinc/01/49/30/620014930.db2.gz MZZDAIYQNXYHQQ-ZDUSSCGKSA-N 1 0 317.389 3.236 20 5 DGBDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000905738621 620024374 /nfs/dbraw/zinc/02/43/74/620024374.db2.gz DYVANZVYJCKSAA-XJKSGUPXSA-N 1 0 300.362 3.017 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000908277762 620197888 /nfs/dbraw/zinc/19/78/88/620197888.db2.gz FCJPYTZMELCBCV-NSHDSACASA-N 1 0 323.393 3.099 20 5 DGBDRO CCCC[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000915203406 620572859 /nfs/dbraw/zinc/57/28/59/620572859.db2.gz QFLBXMHTGJRMBM-UHFFFAOYSA-N 1 0 315.377 3.075 20 5 DGBDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000764643354 620575840 /nfs/dbraw/zinc/57/58/40/620575840.db2.gz WUOIVTIDGKYISI-AEFFLSMTSA-N 1 0 314.385 3.239 20 5 DGBDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000764643355 620575927 /nfs/dbraw/zinc/57/59/27/620575927.db2.gz WUOIVTIDGKYISI-FUHWJXTLSA-N 1 0 314.385 3.239 20 5 DGBDRO COC[C@@H](O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000153765654 620603129 /nfs/dbraw/zinc/60/31/29/620603129.db2.gz KWPJYZHJHUJESI-KRWDZBQOSA-N 1 0 309.409 3.480 20 5 DGBDRO CN1CC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000922575929 621059969 /nfs/dbraw/zinc/05/99/69/621059969.db2.gz PIZIISTZIVPQID-AWEZNQCLSA-N 1 0 317.414 3.117 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000922680011 621077091 /nfs/dbraw/zinc/07/70/91/621077091.db2.gz SLZUXCFYOFIHTA-QWHCGFSZSA-N 1 0 318.295 3.184 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cs1 ZINC000922676513 621079094 /nfs/dbraw/zinc/07/90/94/621079094.db2.gz AMJHFJUREKDBTJ-ZJUUUORDSA-N 1 0 324.324 3.246 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000922696298 621083479 /nfs/dbraw/zinc/08/34/79/621083479.db2.gz LPBAIKWVXKJZHH-TZNLOLHFSA-N 1 0 302.374 3.157 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000922892052 621119544 /nfs/dbraw/zinc/11/95/44/621119544.db2.gz MPLZGCJOOOJHFU-WBVHZDCISA-N 1 0 304.390 3.198 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000922897174 621128511 /nfs/dbraw/zinc/12/85/11/621128511.db2.gz MHUBBFONSGPUJO-CDITXYPMSA-N 1 0 316.401 3.403 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000922988941 621144506 /nfs/dbraw/zinc/14/45/06/621144506.db2.gz ZMAPSTDBYGRUEU-RBIFJNOUSA-N 1 0 324.380 3.246 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@]23C[C@H]2COC32CCC2)c1 ZINC000923033447 621149848 /nfs/dbraw/zinc/14/98/48/621149848.db2.gz URUBJQNSMHTQKP-XHDPSFHLSA-N 1 0 308.765 3.049 20 5 DGBDRO CC(C)CC[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000858241739 621167799 /nfs/dbraw/zinc/16/77/99/621167799.db2.gz ZOEREUIYENDHJU-GFCCVEGCSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000858428069 621189625 /nfs/dbraw/zinc/18/96/25/621189625.db2.gz NNNQAJVSKGISJG-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000858437205 621190877 /nfs/dbraw/zinc/19/08/77/621190877.db2.gz WROCRLBXNQTYMS-UONOGXRCSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000838986793 621311286 /nfs/dbraw/zinc/31/12/86/621311286.db2.gz NCVRMABOFLPQTI-MRXNPFEDSA-N 1 0 320.776 3.114 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000839189521 621346166 /nfs/dbraw/zinc/34/61/66/621346166.db2.gz AQWOCTZRBVTZTO-JEBQAFNWSA-N 1 0 315.417 3.342 20 5 DGBDRO Cc1noc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000859925936 621346201 /nfs/dbraw/zinc/34/62/01/621346201.db2.gz APJPWXOVJAYBNA-SOUVJXGZSA-N 1 0 313.357 3.127 20 5 DGBDRO Cc1ccc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000754060989 621484100 /nfs/dbraw/zinc/48/41/00/621484100.db2.gz HMVWARHBJSCINV-OAHLLOKOSA-N 1 0 303.406 3.071 20 5 DGBDRO CC1(C)CCC[C@@H]1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863560400 621683680 /nfs/dbraw/zinc/68/36/80/621683680.db2.gz HKTYOUBDJWNGPI-ZBFHGGJFSA-N 1 0 306.406 3.434 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000865762089 621990705 /nfs/dbraw/zinc/99/07/05/621990705.db2.gz LFAFNUYNUBTOTN-UWOZVVAPSA-N 1 0 316.401 3.403 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCc3cccnc3CC2)cc1[N+](=O)[O-] ZINC000865787655 621996006 /nfs/dbraw/zinc/99/60/06/621996006.db2.gz QFIMNWFXHNLTRK-INIZCTEOSA-N 1 0 311.385 3.335 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865874870 622013839 /nfs/dbraw/zinc/01/38/39/622013839.db2.gz KLLAUKBLHAENJV-MPNRVQBSSA-N 1 0 304.390 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000761510865 622013847 /nfs/dbraw/zinc/01/38/47/622013847.db2.gz HAUSTLRDSBBADY-CQSZACIVSA-N 1 0 323.824 3.308 20 5 DGBDRO CO[C@H]1CC[C@@H](C)N(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000866073612 622041757 /nfs/dbraw/zinc/04/17/57/622041757.db2.gz QPORGWSLXRKJQN-YPMHNXCESA-N 1 0 301.346 3.147 20 5 DGBDRO CC(=O)c1cc(NC2CCC(C)([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000866147626 622055129 /nfs/dbraw/zinc/05/51/29/622055129.db2.gz TUBMIHPMXYTKKT-UHFFFAOYSA-N 1 0 319.405 3.472 20 5 DGBDRO Cc1csc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866224524 622069989 /nfs/dbraw/zinc/06/99/89/622069989.db2.gz YGPPIRQJPKHLNI-SECBINFHSA-N 1 0 309.366 3.220 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000866237083 622072910 /nfs/dbraw/zinc/07/29/10/622072910.db2.gz HEMSMOLRRQLHDE-GFCCVEGCSA-N 1 0 303.337 3.158 20 5 DGBDRO CSCCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866269452 622081043 /nfs/dbraw/zinc/08/10/43/622081043.db2.gz IFGLQYKTQFSLDO-NSHDSACASA-N 1 0 300.399 3.398 20 5 DGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866275653 622082918 /nfs/dbraw/zinc/08/29/18/622082918.db2.gz DAABHNRHVHGMQF-LALPHHSUSA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000866284971 622084822 /nfs/dbraw/zinc/08/48/22/622084822.db2.gz JFWLSFTVEHROKQ-JHJVBQTASA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C1CCOCC1 ZINC000866285080 622084912 /nfs/dbraw/zinc/08/49/12/622084912.db2.gz DEJDNWLJAPJKEN-NEPJUHHUSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866302156 622088517 /nfs/dbraw/zinc/08/85/17/622088517.db2.gz YTVHBHREVMZGKX-RYUDHWBXSA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866302151 622088764 /nfs/dbraw/zinc/08/87/64/622088764.db2.gz YTVHBHREVMZGKX-NWDGAFQWSA-N 1 0 312.385 3.052 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000866309390 622090721 /nfs/dbraw/zinc/09/07/21/622090721.db2.gz FMQIUCDAOLTCKX-PJODQICGSA-N 1 0 310.369 3.212 20 5 DGBDRO Cc1cncc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866313123 622091680 /nfs/dbraw/zinc/09/16/80/622091680.db2.gz WPAIIPZELPOQAA-GFCCVEGCSA-N 1 0 303.337 3.158 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC(F)(F)C1 ZINC000866323487 622093743 /nfs/dbraw/zinc/09/37/43/622093743.db2.gz IXKAVYFAPQJWKK-JOYOIKCWSA-N 1 0 302.296 3.442 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCSC1 ZINC000866355973 622101795 /nfs/dbraw/zinc/10/17/95/622101795.db2.gz HSZOKXBFRMZHNV-NEPJUHHUSA-N 1 0 312.410 3.398 20 5 DGBDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866367922 622104439 /nfs/dbraw/zinc/10/44/39/622104439.db2.gz RLVMGMBIGDHMOP-NWDGAFQWSA-N 1 0 320.368 3.232 20 5 DGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866384635 622107603 /nfs/dbraw/zinc/10/76/03/622107603.db2.gz ZYUBMQRYULEXSU-SGIREYDYSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccn1 ZINC000866384531 622107813 /nfs/dbraw/zinc/10/78/13/622107813.db2.gz BOLASMPUBIHECI-OLZOCXBDSA-N 1 0 317.364 3.453 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)COCC1CC1 ZINC000866383462 622107837 /nfs/dbraw/zinc/10/78/37/622107837.db2.gz MNZODMMKWFKJFP-NEPJUHHUSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CC1(F)F ZINC000866393669 622109795 /nfs/dbraw/zinc/10/97/95/622109795.db2.gz QVTYBZBAMFDREJ-KOLCDFICSA-N 1 0 302.296 3.300 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000866397631 622110777 /nfs/dbraw/zinc/11/07/77/622110777.db2.gz JIEBOFSVKBWYPN-DZUFCKETSA-N 1 0 310.369 3.066 20 5 DGBDRO Cc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000866478707 622125020 /nfs/dbraw/zinc/12/50/20/622125020.db2.gz LYPVUDZDTFPNLF-UHFFFAOYSA-N 1 0 315.373 3.255 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000866527411 622131922 /nfs/dbraw/zinc/13/19/22/622131922.db2.gz IEBYXUAAOBQNTH-UKRRQHHQSA-N 1 0 304.390 3.452 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@@H](O)C1CCCC1 ZINC000866638341 622152405 /nfs/dbraw/zinc/15/24/05/622152405.db2.gz GCJAQEVXMZEDSK-DOTOQJQBSA-N 1 0 304.390 3.113 20 5 DGBDRO CC[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764883285 622229690 /nfs/dbraw/zinc/22/96/90/622229690.db2.gz CZYPYDRNQVDKLP-ZDUSSCGKSA-N 1 0 302.378 3.332 20 5 DGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765058717 622242885 /nfs/dbraw/zinc/24/28/85/622242885.db2.gz XIQNDJXCTJBZNQ-AAEUAGOBSA-N 1 0 302.378 3.331 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@H](C(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765083380 622244883 /nfs/dbraw/zinc/24/48/83/622244883.db2.gz ZETVHTUBIVXKJD-ZDUSSCGKSA-N 1 0 302.378 3.188 20 5 DGBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000765390287 622262729 /nfs/dbraw/zinc/26/27/29/622262729.db2.gz CNXINGUMNDYANA-ZDUSSCGKSA-N 1 0 303.406 3.199 20 5 DGBDRO C[C@@H]([NH2+]CCN1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000765414912 622263886 /nfs/dbraw/zinc/26/38/86/622263886.db2.gz BPVOSPMOLZOGFH-CQSZACIVSA-N 1 0 311.385 3.308 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1OCC[C@@H]1CC[NH2+]C1 ZINC000122462053 622326782 /nfs/dbraw/zinc/32/67/82/622326782.db2.gz ZTRZTCNKRWLPRU-QMMMGPOBSA-N 1 0 305.161 3.280 20 5 DGBDRO O=C1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCCN1 ZINC000769116894 622499657 /nfs/dbraw/zinc/49/96/57/622499657.db2.gz XRFYJZDZMPYKTB-UHFFFAOYSA-N 1 0 304.393 3.315 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+](C)CC1 ZINC000872018083 622753359 /nfs/dbraw/zinc/75/33/59/622753359.db2.gz ICCQGKIYDIGWLR-LLVKDONJSA-N 1 0 309.435 3.062 20 5 DGBDRO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025221 622758773 /nfs/dbraw/zinc/75/87/73/622758773.db2.gz IKUVZCXBDHZCGR-YNEHKIRRSA-N 1 0 307.369 3.011 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031317 622763224 /nfs/dbraw/zinc/76/32/24/622763224.db2.gz IWPBXCKEWFUFNJ-ABAIWWIYSA-N 1 0 310.369 3.326 20 5 DGBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872033641 622764950 /nfs/dbraw/zinc/76/49/50/622764950.db2.gz CWBHKEOCZUITIP-MJVIPROJSA-N 1 0 312.435 3.374 20 5 DGBDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034425 622764974 /nfs/dbraw/zinc/76/49/74/622764974.db2.gz NYFGOOPCIFFGOA-SNVBAGLBSA-N 1 0 307.325 3.232 20 5 DGBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872033642 622764991 /nfs/dbraw/zinc/76/49/91/622764991.db2.gz CWBHKEOCZUITIP-WDMOLILDSA-N 1 0 312.435 3.374 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@](C)(O)C1CC1 ZINC000872036053 622766542 /nfs/dbraw/zinc/76/65/42/622766542.db2.gz PLZYJGZYKALSNF-BONVTDFDSA-N 1 0 310.419 3.128 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000872036664 622766737 /nfs/dbraw/zinc/76/67/37/622766737.db2.gz UTSJMGJMNWRAOP-OLZOCXBDSA-N 1 0 323.462 3.309 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041728 622769300 /nfs/dbraw/zinc/76/93/00/622769300.db2.gz KNELQHVPINEWBO-JSGCOSHPSA-N 1 0 318.348 3.161 20 5 DGBDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041727 622769379 /nfs/dbraw/zinc/76/93/79/622769379.db2.gz KNELQHVPINEWBO-GXTWGEPZSA-N 1 0 318.348 3.161 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041729 622769950 /nfs/dbraw/zinc/76/99/50/622769950.db2.gz KNELQHVPINEWBO-OCCSQVGLSA-N 1 0 318.348 3.161 20 5 DGBDRO CC[C@H](CCO)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872042036 622770703 /nfs/dbraw/zinc/77/07/03/622770703.db2.gz MGEVHAXENNCVJW-VXGBXAGGSA-N 1 0 312.435 3.376 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048649 622774260 /nfs/dbraw/zinc/77/42/60/622774260.db2.gz KZIYRQAEURQPLG-NEPJUHHUSA-N 1 0 308.353 3.486 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048651 622774500 /nfs/dbraw/zinc/77/45/00/622774500.db2.gz KZIYRQAEURQPLG-RYUDHWBXSA-N 1 0 308.353 3.486 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000872048745 622774843 /nfs/dbraw/zinc/77/48/43/622774843.db2.gz LGPLXZGSWCHWJW-IINYFYTJSA-N 1 0 310.419 3.128 20 5 DGBDRO C[C@@H]([NH2+]CC1(CO)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050035 622775681 /nfs/dbraw/zinc/77/56/81/622775681.db2.gz WBHHYNNBJMVXNG-GFCCVEGCSA-N 1 0 310.369 3.327 20 5 DGBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051145 622776321 /nfs/dbraw/zinc/77/63/21/622776321.db2.gz HKWCJIVYUKHNJR-XHDPSFHLSA-N 1 0 312.385 3.428 20 5 DGBDRO COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872052603 622777056 /nfs/dbraw/zinc/77/70/56/622777056.db2.gz PNNYRXZXACYIDJ-HZMBPMFUSA-N 1 0 310.419 3.392 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)C(C)C ZINC000872071817 622789369 /nfs/dbraw/zinc/78/93/69/622789369.db2.gz YAKYNBJTHISEKF-RYUDHWBXSA-N 1 0 312.435 3.232 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)C1CCC1 ZINC000872078820 622792973 /nfs/dbraw/zinc/79/29/73/622792973.db2.gz SESAEPVCMQZMMA-HZMBPMFUSA-N 1 0 310.419 3.128 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000872084745 622796142 /nfs/dbraw/zinc/79/61/42/622796142.db2.gz KMSOGZDAALLMFM-YGRLFVJLSA-N 1 0 310.419 3.128 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872108215 622810846 /nfs/dbraw/zinc/81/08/46/622810846.db2.gz RWUPRDRSGNYWSH-DUPGQFARSA-N 1 0 320.389 3.212 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccc([C@@H](C)O)cc2)cccc1[N+](=O)[O-] ZINC000873021025 623019618 /nfs/dbraw/zinc/01/96/18/623019618.db2.gz HITSQWZQOYJNOW-CYBMUJFWSA-N 1 0 300.358 3.246 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000873021841 623019830 /nfs/dbraw/zinc/01/98/30/623019830.db2.gz NQFZSQLNYYBNMA-QGZVFWFLSA-N 1 0 318.348 3.174 20 5 DGBDRO CCCC[NH+]1CCC(NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873028398 623020326 /nfs/dbraw/zinc/02/03/26/623020326.db2.gz LQEBJFGGRKRTHR-UHFFFAOYSA-N 1 0 305.422 3.257 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000873029749 623021372 /nfs/dbraw/zinc/02/13/72/623021372.db2.gz PUYDYAJAVVGCNG-HNNXBMFYSA-N 1 0 305.422 3.032 20 5 DGBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873043761 623024771 /nfs/dbraw/zinc/02/47/71/623024771.db2.gz SITOYAIDSZHCEG-GFCCVEGCSA-N 1 0 316.405 3.142 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873059299 623028139 /nfs/dbraw/zinc/02/81/39/623028139.db2.gz PHLMOEJVFQMGRC-KRWDZBQOSA-N 1 0 314.385 3.159 20 5 DGBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873071390 623030461 /nfs/dbraw/zinc/03/04/61/623030461.db2.gz ICCAXWCODUSWTK-KIMHZCHSSA-N 1 0 324.446 3.073 20 5 DGBDRO CCC1(O)CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873100425 623036018 /nfs/dbraw/zinc/03/60/18/623036018.db2.gz UAWXOLGDAHVLPN-UHFFFAOYSA-N 1 0 306.406 3.385 20 5 DGBDRO CO[C@H](CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000873113357 623037447 /nfs/dbraw/zinc/03/74/47/623037447.db2.gz YXDRQGVIFNREKP-CYBMUJFWSA-N 1 0 320.311 3.269 20 5 DGBDRO Cc1c(CNC2CC([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000873117961 623039314 /nfs/dbraw/zinc/03/93/14/623039314.db2.gz SOHVRFMBOCZXLU-UHFFFAOYSA-N 1 0 303.406 3.010 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873156322 623054367 /nfs/dbraw/zinc/05/43/67/623054367.db2.gz UPFYKILCDJHBOF-ZQIUZPCESA-N 1 0 304.390 3.259 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1 ZINC000873156601 623055586 /nfs/dbraw/zinc/05/55/86/623055586.db2.gz LMNMAVDSCAZIMK-DGFSRKRXSA-N 1 0 310.781 3.295 20 5 DGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000873192712 623068425 /nfs/dbraw/zinc/06/84/25/623068425.db2.gz GBQXBVCXDAXVKX-IRXDYDNUSA-N 1 0 300.358 3.197 20 5 DGBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000873194767 623069775 /nfs/dbraw/zinc/06/97/75/623069775.db2.gz VRCWOEGBVGZXSH-HIFRSBDPSA-N 1 0 306.387 3.258 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(N)cc(F)c2)cc1[N+](=O)[O-] ZINC000873288216 623104365 /nfs/dbraw/zinc/10/43/65/623104365.db2.gz YBYJUBFBJOANJO-LLVKDONJSA-N 1 0 303.337 3.475 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000774412776 623141003 /nfs/dbraw/zinc/14/10/03/623141003.db2.gz SYNNDVLNVAPAJL-ZBFHGGJFSA-N 1 0 318.398 3.431 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000774518436 623154837 /nfs/dbraw/zinc/15/48/37/623154837.db2.gz NMJANODHXQJLBT-UHFFFAOYSA-N 1 0 305.422 3.460 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775400662 623268987 /nfs/dbraw/zinc/26/89/87/623268987.db2.gz RDCJSBWGDMDVGN-KWCYVHTRSA-N 1 0 310.444 3.064 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000775425512 623273562 /nfs/dbraw/zinc/27/35/62/623273562.db2.gz XYMOTQXZIOIXDB-QLFBSQMISA-N 1 0 324.471 3.107 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc2nsnc21)c1ccccc1[N+](=O)[O-] ZINC000775574940 623291946 /nfs/dbraw/zinc/29/19/46/623291946.db2.gz AYDCNZYIOXTNTG-SNVBAGLBSA-N 1 0 314.370 3.450 20 5 DGBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274398 623405056 /nfs/dbraw/zinc/40/50/56/623405056.db2.gz HJCLVGVBSYAAOL-SJCJKPOMSA-N 1 0 318.348 3.460 20 5 DGBDRO CC[N@@H+](Cc1ccccc1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276574 623405749 /nfs/dbraw/zinc/40/57/49/623405749.db2.gz KQNMQDANDGSWRQ-SFHVURJKSA-N 1 0 314.385 3.459 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC000776311452 623410287 /nfs/dbraw/zinc/41/02/87/623410287.db2.gz ZBQBNUJFXYWEHO-BONVTDFDSA-N 1 0 322.311 3.257 20 5 DGBDRO CC(C)[NH+]1CCC(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000875161635 623423780 /nfs/dbraw/zinc/42/37/80/623423780.db2.gz JBJFLYFXVLWJIE-CYBMUJFWSA-N 1 0 320.389 3.319 20 5 DGBDRO CC(C)[N@@H+](Cc1ccco1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579589 623442934 /nfs/dbraw/zinc/44/29/34/623442934.db2.gz NTDSCCAKDXHLPQ-INIZCTEOSA-N 1 0 304.346 3.132 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](C2CC2)C2CCCCC2)cc1 ZINC000776579745 623443033 /nfs/dbraw/zinc/44/30/33/623443033.db2.gz PHYGZDNDPKNMLH-QGZVFWFLSA-N 1 0 304.390 3.425 20 5 DGBDRO C[C@H](C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776581889 623443070 /nfs/dbraw/zinc/44/30/70/623443070.db2.gz OINDBKKVYOWWMA-RDTXWAMCSA-N 1 0 314.385 3.364 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000776584661 623444129 /nfs/dbraw/zinc/44/41/29/623444129.db2.gz OFGXZJWLHWEJBL-MSOLQXFVSA-N 1 0 316.401 3.451 20 5 DGBDRO C[C@H](c1cccc(O)c1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593115 623445327 /nfs/dbraw/zinc/44/53/27/623445327.db2.gz PDAZGSYXSDQFSZ-PXAZEXFGSA-N 1 0 316.357 3.027 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCOC1CCC1 ZINC000777119634 623497764 /nfs/dbraw/zinc/49/77/64/623497764.db2.gz BUCNXIZXRVHAJR-YOEHRIQHSA-N 1 0 318.417 3.465 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCc4ccccc43)CC2)cc1 ZINC000777401163 623520848 /nfs/dbraw/zinc/52/08/48/623520848.db2.gz LBHTTZLOJGGZPV-LJQANCHMSA-N 1 0 323.396 3.404 20 5 DGBDRO CC[NH+]1CCC(N(C)Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876559658 623643551 /nfs/dbraw/zinc/64/35/51/623643551.db2.gz DDYLQGPOYGJZFJ-UHFFFAOYSA-N 1 0 305.422 3.128 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(n2ccnc2)CC1 ZINC000876651088 623670431 /nfs/dbraw/zinc/67/04/31/623670431.db2.gz OWUPXQXXGFZWBI-UHFFFAOYSA-N 1 0 314.389 3.245 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[C@H]4CCCC[C@H]4C3)C2)c1 ZINC000876903688 623740890 /nfs/dbraw/zinc/74/08/90/623740890.db2.gz OOGWHXKQCBYZGE-QGBVMSHASA-N 1 0 318.421 3.443 20 5 DGBDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000876945931 623751091 /nfs/dbraw/zinc/75/10/91/623751091.db2.gz LXCRQRYKDBVYPU-QZLRTXKQSA-N 1 0 316.361 3.001 20 5 DGBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876973476 623757988 /nfs/dbraw/zinc/75/79/88/623757988.db2.gz HKLCGFNYQKIFJY-KVULBXGLSA-N 1 0 312.373 3.080 20 5 DGBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877082822 623786672 /nfs/dbraw/zinc/78/66/72/623786672.db2.gz CYSLCFVGQMVRKB-CLTVBZQCSA-N 1 0 306.410 3.299 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc(Cl)nc2)cc1 ZINC000877084286 623787595 /nfs/dbraw/zinc/78/75/95/623787595.db2.gz FVHZKDDSAUDGJG-UHFFFAOYSA-N 1 0 305.765 3.018 20 5 DGBDRO CC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCCCC1 ZINC000877138740 623804212 /nfs/dbraw/zinc/80/42/12/623804212.db2.gz CFQWXXBNJQWRBX-UHFFFAOYSA-N 1 0 306.410 3.445 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3C[C@H]3C3CCCCC3)C2)c1 ZINC000877156218 623809799 /nfs/dbraw/zinc/80/97/99/623809799.db2.gz RTKXINWHJSYMFA-FPCDFSMTSA-N 1 0 304.394 3.053 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cccc1[N+](=O)[O-] ZINC000790695262 625687575 /nfs/dbraw/zinc/68/75/75/625687575.db2.gz LOXXVYGBEGNYLV-YUELXQCFSA-N 1 0 324.471 3.372 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCC(C4CCC4)CC3)C2)c1 ZINC000877641203 623974514 /nfs/dbraw/zinc/97/45/14/623974514.db2.gz WKGQDWLZRIDPRR-UHFFFAOYSA-N 1 0 318.421 3.443 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3CCC4(CC4)CC3)C2)c1 ZINC000877697342 623994441 /nfs/dbraw/zinc/99/44/41/623994441.db2.gz GOLROVWJVYWELA-UHFFFAOYSA-N 1 0 304.394 3.055 20 5 DGBDRO COc1cc(C[C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000877730132 624006575 /nfs/dbraw/zinc/00/65/75/624006575.db2.gz NLRIXPFCUHVLQC-CYBMUJFWSA-N 1 0 315.373 3.028 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)cc1Cl ZINC000877738586 624012321 /nfs/dbraw/zinc/01/23/21/624012321.db2.gz OPJYVIDEUQSEFE-NWDGAFQWSA-N 1 0 312.822 3.433 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCn3nccc32)cc1Cl ZINC000877778584 624033608 /nfs/dbraw/zinc/03/36/08/624033608.db2.gz RPHRGJTUBRVJOD-LBPRGKRZSA-N 1 0 306.753 3.069 20 5 DGBDRO C[C@@]1(C(F)(F)F)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877812196 624044877 /nfs/dbraw/zinc/04/48/77/624044877.db2.gz JCEDYEBMPMVTPB-CYBMUJFWSA-N 1 0 302.296 3.412 20 5 DGBDRO Cc1csc([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000877813595 624046613 /nfs/dbraw/zinc/04/66/13/624046613.db2.gz MUHSWOOLQOKWQD-CYBMUJFWSA-N 1 0 303.387 3.349 20 5 DGBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000877832193 624061908 /nfs/dbraw/zinc/06/19/08/624061908.db2.gz HVZHIYMNZOJVBJ-QZTJIDSGSA-N 1 0 314.385 3.239 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@H](CO)c1cccc(F)c1 ZINC000782060835 624196529 /nfs/dbraw/zinc/19/65/29/624196529.db2.gz GUIDRTZKABPAJF-CQSZACIVSA-N 1 0 324.739 3.211 20 5 DGBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000129618243 625707672 /nfs/dbraw/zinc/70/76/72/625707672.db2.gz JSXCWANTGLJCAJ-NEPJUHHUSA-N 1 0 323.368 3.040 20 5 DGBDRO C[C@H]1C[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1C ZINC000878332385 624247454 /nfs/dbraw/zinc/24/74/54/624247454.db2.gz NYBBQKQTRCANIP-RYUDHWBXSA-N 1 0 316.361 3.123 20 5 DGBDRO CC[N@H+](CCC1CC1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878433218 624276693 /nfs/dbraw/zinc/27/66/93/624276693.db2.gz VYYOTCYNHYMCPB-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000782944878 624293356 /nfs/dbraw/zinc/29/33/56/624293356.db2.gz LKBMYMXKPFJPMO-ZIAGYGMSSA-N 1 0 312.369 3.497 20 5 DGBDRO CC(C)([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000878643832 624328357 /nfs/dbraw/zinc/32/83/57/624328357.db2.gz PWZKJISUWYEUOS-DVOMOZLQSA-N 1 0 304.390 3.377 20 5 DGBDRO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC(C)(C)C1 ZINC000878702849 624344759 /nfs/dbraw/zinc/34/47/59/624344759.db2.gz CQPNOLGBLWIXJT-UHFFFAOYSA-N 1 0 316.361 3.265 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1Cl ZINC000783535944 624363622 /nfs/dbraw/zinc/36/36/22/624363622.db2.gz YTGRJBVMEKQYDL-GFCCVEGCSA-N 1 0 320.780 3.351 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878884838 624380477 /nfs/dbraw/zinc/38/04/77/624380477.db2.gz NCYGCEGXYWJVBP-LLVKDONJSA-N 1 0 304.350 3.265 20 5 DGBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO[C@@H]1C1CC1 ZINC000783667612 624381352 /nfs/dbraw/zinc/38/13/52/624381352.db2.gz RXGAKBBTRVHZBI-HUUCEWRRSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC(C)(C)C1 ZINC000784008709 624419539 /nfs/dbraw/zinc/41/95/39/624419539.db2.gz OBSHLUAEBJHJTL-GFCCVEGCSA-N 1 0 302.378 3.270 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)cc1 ZINC000879239455 624457663 /nfs/dbraw/zinc/45/76/63/624457663.db2.gz BGVBYTXYCDBQQB-ZWKOTPCHSA-N 1 0 312.369 3.293 20 5 DGBDRO C[N@@H+]1CCCC12CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000784251529 624465203 /nfs/dbraw/zinc/46/52/03/624465203.db2.gz GMBCKISQQIMKRZ-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO CCOc1cc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000879564944 624592586 /nfs/dbraw/zinc/59/25/86/624592586.db2.gz JRNACBCJXDYVDZ-UONOGXRCSA-N 1 0 322.430 3.178 20 5 DGBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000879699583 624643923 /nfs/dbraw/zinc/64/39/23/624643923.db2.gz RRZYTVMRGFDPQK-UHFFFAOYSA-N 1 0 310.394 3.023 20 5 DGBDRO COC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880038848 624762956 /nfs/dbraw/zinc/76/29/56/624762956.db2.gz BALWUWGXQCTUBC-KGLIPLIRSA-N 1 0 320.389 3.321 20 5 DGBDRO COC(=O)[C@]12CCC[C@H]1[N@@H+]([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000880181234 624824448 /nfs/dbraw/zinc/82/44/48/624824448.db2.gz SFGBVMROPTZRDQ-VMGRFDJRSA-N 1 0 318.373 3.073 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880323916 624918162 /nfs/dbraw/zinc/91/81/62/624918162.db2.gz WXTLEHJCVNVXAH-LLVKDONJSA-N 1 0 307.350 3.180 20 5 DGBDRO C[C@H]1c2sccc2CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880377121 624943182 /nfs/dbraw/zinc/94/31/82/624943182.db2.gz OQGAJLWRFIQVMF-NHYWBVRUSA-N 1 0 318.398 3.309 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)N1CCCCC1 ZINC000786811708 624955579 /nfs/dbraw/zinc/95/55/79/624955579.db2.gz LEPBZNFRMGYHLA-UVQBRAAOSA-N 1 0 317.433 3.462 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC[C@@H]1C ZINC000786818464 624955898 /nfs/dbraw/zinc/95/58/98/624955898.db2.gz YSFUMAXFDSFREA-GOFCXVBSSA-N 1 0 303.406 3.072 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CSCCS1 ZINC000786813613 624956253 /nfs/dbraw/zinc/95/62/53/624956253.db2.gz DOBYHNOYBASFJC-BLMSOEDDSA-N 1 0 324.471 3.436 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCCCO3)CC2)cc1F ZINC000880458554 624960344 /nfs/dbraw/zinc/96/03/44/624960344.db2.gz XGPQYJMXICVTMF-UHFFFAOYSA-N 1 0 308.353 3.269 20 5 DGBDRO O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786883497 624961970 /nfs/dbraw/zinc/96/19/70/624961970.db2.gz RDMFQXIFVHWJJJ-MRXNPFEDSA-N 1 0 318.373 3.045 20 5 DGBDRO CC1([NH+]2CCC2)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000880473036 624964303 /nfs/dbraw/zinc/96/43/03/624964303.db2.gz MLZXISGWGFZNNX-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO CSC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000788439857 625171907 /nfs/dbraw/zinc/17/19/07/625171907.db2.gz ZCDAXEUUTFRUJG-VXGBXAGGSA-N 1 0 312.439 3.006 20 5 DGBDRO O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000805868080 625191249 /nfs/dbraw/zinc/19/12/49/625191249.db2.gz XUEZKXWYJFOGQB-UHFFFAOYSA-N 1 0 324.764 3.028 20 5 DGBDRO C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788664200 625238547 /nfs/dbraw/zinc/23/85/47/625238547.db2.gz IKIAEFJRQGHCAT-NUTKFTJISA-N 1 0 311.385 3.459 20 5 DGBDRO Cc1ccsc1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788687088 625243257 /nfs/dbraw/zinc/24/32/57/625243257.db2.gz AXUANUGRCKBYCE-NSHDSACASA-N 1 0 305.403 3.440 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788756417 625259972 /nfs/dbraw/zinc/25/99/72/625259972.db2.gz WKXISWKKFZPTJU-NUTKFTJISA-N 1 0 321.421 3.421 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000130329655 625838912 /nfs/dbraw/zinc/83/89/12/625838912.db2.gz GAYAKXBWMYFIME-WFASDCNBSA-N 1 0 304.346 3.098 20 5 DGBDRO CC1([NH+]2CCC2)CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000882962978 625878443 /nfs/dbraw/zinc/87/84/43/625878443.db2.gz JWNDCLNDRRKGEG-UHFFFAOYSA-N 1 0 309.797 3.313 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](c4ccccn4)C3)nc2c1 ZINC000799193555 626279677 /nfs/dbraw/zinc/27/96/77/626279677.db2.gz LOIXQBMSGLUFMF-GFCCVEGCSA-N 1 0 324.340 3.121 20 5 DGBDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000800897209 626383748 /nfs/dbraw/zinc/38/37/48/626383748.db2.gz WABNQPDWIHHCOP-QGZVFWFLSA-N 1 0 318.348 3.174 20 5 DGBDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801525530 626407702 /nfs/dbraw/zinc/40/77/02/626407702.db2.gz VUFKHVVFVDHPID-SJCJKPOMSA-N 1 0 324.396 3.401 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc2c(c1)OCO2 ZINC000801527289 626407723 /nfs/dbraw/zinc/40/77/23/626407723.db2.gz JAWMSVMIGIJLGK-JTQLQIEISA-N 1 0 318.304 3.313 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1F ZINC000801535188 626408623 /nfs/dbraw/zinc/40/86/23/626408623.db2.gz GNEPEISTKBGXSP-HNNXBMFYSA-N 1 0 308.353 3.125 20 5 DGBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1OC ZINC000801551322 626409582 /nfs/dbraw/zinc/40/95/82/626409582.db2.gz LHSQXVRGURLZRO-HUUCEWRRSA-N 1 0 310.369 3.417 20 5 DGBDRO CC(C)[N@H+](C)CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000803617897 626625494 /nfs/dbraw/zinc/62/54/94/626625494.db2.gz YOZNFCMUGAZLDL-UHFFFAOYSA-N 1 0 307.394 3.171 20 5 DGBDRO C=C/C=C/CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000883267511 626630297 /nfs/dbraw/zinc/63/02/97/626630297.db2.gz IGIKHDQWWVTNIW-IHVVCDCBSA-N 1 0 303.362 3.034 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2NC1(c2ncccn2)CCC1 ZINC000883311052 626642405 /nfs/dbraw/zinc/64/24/05/626642405.db2.gz MBCBGFGMNAQVSV-CQSZACIVSA-N 1 0 310.357 3.041 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000803861232 626645043 /nfs/dbraw/zinc/64/50/43/626645043.db2.gz WOFLUUMPTSTQTC-AWEZNQCLSA-N 1 0 324.352 3.042 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883352899 626657277 /nfs/dbraw/zinc/65/72/77/626657277.db2.gz KFDZYWJRFVNDDS-NOLJZWGESA-N 1 0 324.396 3.460 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883368942 626663975 /nfs/dbraw/zinc/66/39/75/626663975.db2.gz FZMHJPSHASFIGE-VUCTXSBTSA-N 1 0 322.380 3.356 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883370556 626664486 /nfs/dbraw/zinc/66/44/86/626664486.db2.gz NSMJAKRONSXUOQ-RRWQFYAYSA-N 1 0 302.374 3.299 20 5 DGBDRO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000804349999 626672363 /nfs/dbraw/zinc/67/23/63/626672363.db2.gz SUVULSQGCUYFEV-RYUDHWBXSA-N 1 0 322.365 3.035 20 5 DGBDRO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000804350000 626672480 /nfs/dbraw/zinc/67/24/80/626672480.db2.gz SUVULSQGCUYFEV-VXGBXAGGSA-N 1 0 322.365 3.035 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804357224 626673071 /nfs/dbraw/zinc/67/30/71/626673071.db2.gz ADHHMQWSKRNPMT-UMVBOHGHSA-N 1 0 318.421 3.019 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH+]1CCCCC1 ZINC000804362022 626673508 /nfs/dbraw/zinc/67/35/08/626673508.db2.gz OZABVJFYHIKVJE-ZDUSSCGKSA-N 1 0 319.405 3.331 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000804394439 626676244 /nfs/dbraw/zinc/67/62/44/626676244.db2.gz RSFXAHNTKBKCFI-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000807989329 626783258 /nfs/dbraw/zinc/78/32/58/626783258.db2.gz LVQOMPOVFIUGHB-CHWSQXEVSA-N 1 0 305.378 3.082 20 5 DGBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000808443681 626825008 /nfs/dbraw/zinc/82/50/08/626825008.db2.gz ALKHMNZTHPBVHV-QMRSZWDOSA-N 1 0 312.369 3.320 20 5 DGBDRO [NH3+]CCN(Cc1ccsc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000809736238 626943660 /nfs/dbraw/zinc/94/36/60/626943660.db2.gz KUPQHIQPOZTPTP-UHFFFAOYSA-N 1 0 311.794 3.275 20 5 DGBDRO [NH3+]CCN(Cc1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000809735217 626943670 /nfs/dbraw/zinc/94/36/70/626943670.db2.gz VSWGNJRKUGWXAS-UHFFFAOYSA-N 1 0 323.755 3.353 20 5 DGBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810076337 626974769 /nfs/dbraw/zinc/97/47/69/626974769.db2.gz BPVSAKFAHRPRRJ-CYBMUJFWSA-N 1 0 321.204 3.398 20 5 DGBDRO Cc1ccc(OC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810641731 627030420 /nfs/dbraw/zinc/03/04/20/627030420.db2.gz HKDYZJLQHIAIKX-MRXNPFEDSA-N 1 0 324.352 3.021 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000886000065 627079704 /nfs/dbraw/zinc/07/97/04/627079704.db2.gz UJAIWQCOLJZPRU-MRXNPFEDSA-N 1 0 311.385 3.445 20 5 DGBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886030272 627088600 /nfs/dbraw/zinc/08/86/00/627088600.db2.gz IEBKZXXLRFZYCJ-GOEBONIOSA-N 1 0 311.385 3.443 20 5 DGBDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886184218 627118863 /nfs/dbraw/zinc/11/88/63/627118863.db2.gz WQVKBASPRKDJDY-KRWDZBQOSA-N 1 0 315.348 3.293 20 5 DGBDRO O=C1NCCN1CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000886324220 627136530 /nfs/dbraw/zinc/13/65/30/627136530.db2.gz CRIKYCIONNCJMY-UHFFFAOYSA-N 1 0 319.408 3.108 20 5 DGBDRO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000886439562 627149001 /nfs/dbraw/zinc/14/90/01/627149001.db2.gz ZYJUMXSYBHMXCP-QGZVFWFLSA-N 1 0 318.348 3.208 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)cc1[N+](=O)[O-] ZINC000886646502 627179645 /nfs/dbraw/zinc/17/96/45/627179645.db2.gz LBIBHUMILIQEJW-MRXNPFEDSA-N 1 0 302.378 3.124 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886703395 627194790 /nfs/dbraw/zinc/19/47/90/627194790.db2.gz UQVYZAYINFIBDR-GXTWGEPZSA-N 1 0 320.389 3.213 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000886710884 627196041 /nfs/dbraw/zinc/19/60/41/627196041.db2.gz IGGWVNMAFSPKOE-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000886709857 627196075 /nfs/dbraw/zinc/19/60/75/627196075.db2.gz ZGKIQYIPFZZPFP-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C2CC2)CCC1 ZINC000886825180 627209321 /nfs/dbraw/zinc/20/93/21/627209321.db2.gz OEXKZJXMHPHSGY-GFCCVEGCSA-N 1 0 317.389 3.234 20 5 DGBDRO Cc1ccc(C[NH2+]CC2(C3(O)CCC3)CCC2)cc1[N+](=O)[O-] ZINC000886980998 627217961 /nfs/dbraw/zinc/21/79/61/627217961.db2.gz QQHLNPNPQHCIRV-UHFFFAOYSA-N 1 0 304.390 3.078 20 5 DGBDRO CN1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811475802 627278996 /nfs/dbraw/zinc/27/89/96/627278996.db2.gz VBFMQPLYDKYKPQ-LLVKDONJSA-N 1 0 318.204 3.085 20 5 DGBDRO COC(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811482006 627279572 /nfs/dbraw/zinc/27/95/72/627279572.db2.gz DHWZTBRKVDIQQJ-UHFFFAOYSA-N 1 0 307.177 3.416 20 5 DGBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc2c[nH+]cn2c1 ZINC000813244233 627472299 /nfs/dbraw/zinc/47/22/99/627472299.db2.gz SOOBBULNIQDRES-UHFFFAOYSA-N 1 0 316.704 3.148 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583980 627687746 /nfs/dbraw/zinc/68/77/46/627687746.db2.gz SBKPMUYHMKQMFD-XOPPTJLZSA-N 1 0 319.405 3.031 20 5 DGBDRO CC1(C)[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925579430 627758019 /nfs/dbraw/zinc/75/80/19/627758019.db2.gz DMABCMZVFPAAHT-SNPRPXQTSA-N 1 0 323.824 3.114 20 5 DGBDRO Cc1c(C[NH2+]C2CC3(C2)COC(C)(C)C3)cccc1[N+](=O)[O-] ZINC000926268191 627872433 /nfs/dbraw/zinc/87/24/33/627872433.db2.gz DLHONJGBYYSDJD-UHFFFAOYSA-N 1 0 304.390 3.341 20 5 DGBDRO C[C@@H]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH3+] ZINC000817865898 627951845 /nfs/dbraw/zinc/95/18/45/627951845.db2.gz OIXQIAHPZRENJZ-NTZNESFSSA-N 1 0 311.813 3.053 20 5 DGBDRO Cc1ccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1[N+](=O)[O-] ZINC000926798365 627956725 /nfs/dbraw/zinc/95/67/25/627956725.db2.gz ZEXGVSYIPKVHDQ-UHFFFAOYSA-N 1 0 304.390 3.341 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000926835177 627962162 /nfs/dbraw/zinc/96/21/62/627962162.db2.gz IWDHUWDUTQGOTA-CBBWQLFWSA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000926890836 627972526 /nfs/dbraw/zinc/97/25/26/627972526.db2.gz FQBFXVBTSWWDJS-SLBVQIDZSA-N 1 0 304.390 3.451 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927013085 627997556 /nfs/dbraw/zinc/99/75/56/627997556.db2.gz WDYIYOJPNLKWOM-TZMCWYRMSA-N 1 0 319.405 3.319 20 5 DGBDRO Cc1ccc(NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000927071489 628007923 /nfs/dbraw/zinc/00/79/23/628007923.db2.gz DMCLZNHCODXREB-CYBMUJFWSA-N 1 0 300.362 3.061 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927159073 628028824 /nfs/dbraw/zinc/02/88/24/628028824.db2.gz KZJYPTIEVRRKTM-BLLLJJGKSA-N 1 0 320.389 3.356 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccccc2Cl)c1 ZINC000818980230 628072113 /nfs/dbraw/zinc/07/21/13/628072113.db2.gz HRAIIDPWGVELPI-INIZCTEOSA-N 1 0 320.776 3.114 20 5 DGBDRO Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819088008 628089833 /nfs/dbraw/zinc/08/98/33/628089833.db2.gz FGTXSZBHLYDQEW-BDJLRTHQSA-N 1 0 320.414 3.219 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000819110514 628093664 /nfs/dbraw/zinc/09/36/64/628093664.db2.gz CQIJYUFOJHKAKW-INIZCTEOSA-N 1 0 320.776 3.114 20 5 DGBDRO Cc1cccc(C)c1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819174810 628106354 /nfs/dbraw/zinc/10/63/54/628106354.db2.gz YALGYHUQUYIULS-GOSISDBHSA-N 1 0 314.385 3.077 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000819259310 628122632 /nfs/dbraw/zinc/12/26/32/628122632.db2.gz GPTCBIJHDQXSJQ-SFHVURJKSA-N 1 0 312.369 3.295 20 5 DGBDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000819261508 628122666 /nfs/dbraw/zinc/12/26/66/628122666.db2.gz LJJLDGDNDNLWMO-KRWDZBQOSA-N 1 0 300.358 3.035 20 5 DGBDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000819262301 628123137 /nfs/dbraw/zinc/12/31/37/628123137.db2.gz TWTGVUVOQCGACC-SFHVURJKSA-N 1 0 314.385 3.289 20 5 DGBDRO CSCC1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819340964 628137208 /nfs/dbraw/zinc/13/72/08/628137208.db2.gz BLFHUJRNTSKLIG-PXCJXSSVSA-N 1 0 324.446 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(C3CCC3)CCC2)cc1 ZINC000819361597 628141460 /nfs/dbraw/zinc/14/14/60/628141460.db2.gz IYSVQENIEZDDRX-INIZCTEOSA-N 1 0 304.390 3.188 20 5 DGBDRO Cc1ccc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000822515773 628460011 /nfs/dbraw/zinc/46/00/11/628460011.db2.gz FSYBYNJZTFLTQX-GOSISDBHSA-N 1 0 314.385 3.243 20 5 DGBDRO Cc1ccc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000822515775 628460346 /nfs/dbraw/zinc/46/03/46/628460346.db2.gz FSYBYNJZTFLTQX-SFHVURJKSA-N 1 0 314.385 3.243 20 5 DGBDRO Cc1c(-c2noc([C@@H](C(C)C)[C@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000823270211 628544133 /nfs/dbraw/zinc/54/41/33/628544133.db2.gz PHQJYNVNVPODFB-GWCFXTLKSA-N 1 0 304.350 3.040 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823585751 628576739 /nfs/dbraw/zinc/57/67/39/628576739.db2.gz QVKBUHFGXLQZBK-KBXCAEBGSA-N 1 0 314.385 3.495 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825339077 628751625 /nfs/dbraw/zinc/75/16/25/628751625.db2.gz ZVUYECBCPRNCRG-ZDUSSCGKSA-N 1 0 311.813 3.163 20 5 DGBDRO CC(C)(C)[NH2+]CCC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000825586364 628775601 /nfs/dbraw/zinc/77/56/01/628775601.db2.gz HXRRTCPWYYOLMK-UHFFFAOYSA-N 1 0 319.405 3.042 20 5 DGBDRO C[C@H](Nc1nc(N)[nH+]c2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000826109257 628828919 /nfs/dbraw/zinc/82/89/19/628828919.db2.gz VJNKVZKZCUQCOP-JTQLQIEISA-N 1 0 313.361 3.019 20 5 DGBDRO Cc1ccccc1C1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000829500571 629163253 /nfs/dbraw/zinc/16/32/53/629163253.db2.gz NLPOUFNUFRDYCN-KRWDZBQOSA-N 1 0 312.369 3.216 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000831315382 629361659 /nfs/dbraw/zinc/36/16/59/629361659.db2.gz ZHJCXFBIXVAPBQ-CABCVRRESA-N 1 0 308.353 3.171 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000831321683 629361855 /nfs/dbraw/zinc/36/18/55/629361855.db2.gz QHKRZZNQSMOGCB-BPLDGKMQSA-N 1 0 308.353 3.027 20 5 DGBDRO CC(C)[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000834885327 629797915 /nfs/dbraw/zinc/79/79/15/629797915.db2.gz IGNLXZXKFZAIIQ-GDZNZVCISA-N 1 0 321.421 3.279 20 5 DGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834911977 629807755 /nfs/dbraw/zinc/80/77/55/629807755.db2.gz KYQUAIRXJQUFNL-DJSGYFEHSA-N 1 0 307.394 3.175 20 5 DGBDRO Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)nc1 ZINC000835064630 629842248 /nfs/dbraw/zinc/84/22/48/629842248.db2.gz GLBUGZAKUWMQCA-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO C[NH+](C)CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102419364 630104495 /nfs/dbraw/zinc/10/44/95/630104495.db2.gz CCRAVAOPKNUWHJ-UHFFFAOYSA-N 1 0 319.430 3.365 20 5 DGBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CCC(C)(C)[N+](=O)[O-])ccc21 ZINC000836883375 630178674 /nfs/dbraw/zinc/17/86/74/630178674.db2.gz ZGIUPJPEZKDMPW-OAHLLOKOSA-N 1 0 319.405 3.010 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)C(C)C ZINC000840968761 630388397 /nfs/dbraw/zinc/38/83/97/630388397.db2.gz VEYXFPFHJOTVEE-GXTWGEPZSA-N 1 0 300.786 3.133 20 5 DGBDRO C[C@@H]([NH2+][C@H](CO)CC1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841760400 630462885 /nfs/dbraw/zinc/46/28/85/630462885.db2.gz FFBQAXKLWKTAJD-DOMZBBRYSA-N 1 0 321.421 3.159 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842474058 630539425 /nfs/dbraw/zinc/53/94/25/630539425.db2.gz CPDUFNVXDKTUFC-DOMZBBRYSA-N 1 0 323.824 3.212 20 5 DGBDRO Cc1cc(F)cc(-c2nc([C@H]([NH3+])CC(C)C)no2)c1[N+](=O)[O-] ZINC000842586127 630550386 /nfs/dbraw/zinc/55/03/86/630550386.db2.gz NLSIHIBLKVGYJE-LLVKDONJSA-N 1 0 308.313 3.138 20 5 DGBDRO C[N@H+](CCC(C)(C)C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000842632236 630556458 /nfs/dbraw/zinc/55/64/58/630556458.db2.gz WEKICNOEWONCHY-UHFFFAOYSA-N 1 0 317.393 3.179 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000842833348 630582519 /nfs/dbraw/zinc/58/25/19/630582519.db2.gz LDESZWMTGNPMGE-CQSZACIVSA-N 1 0 320.389 3.180 20 5 DGBDRO Cc1cccc(C(=O)OC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000842835421 630582933 /nfs/dbraw/zinc/58/29/33/630582933.db2.gz GZHZQINEJAMUKC-CQSZACIVSA-N 1 0 320.389 3.180 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000843045351 630607477 /nfs/dbraw/zinc/60/74/77/630607477.db2.gz NVLFTLVSMHOXRP-UKRRQHHQSA-N 1 0 323.824 3.212 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CCCCCC[NH3+])n1 ZINC000843187066 630630502 /nfs/dbraw/zinc/63/05/02/630630502.db2.gz KLQOKFAEYXSIOE-UHFFFAOYSA-N 1 0 304.350 3.015 20 5 DGBDRO CC(C)(C)c1ccc(C(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000843507544 630663540 /nfs/dbraw/zinc/66/35/40/630663540.db2.gz XQJOWPQMOKQGIV-UHFFFAOYSA-N 1 0 321.421 3.141 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844438365 630729653 /nfs/dbraw/zinc/72/96/53/630729653.db2.gz XMTPMUIIRUCOEF-AWEZNQCLSA-N 1 0 312.316 3.225 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000844907540 630975769 /nfs/dbraw/zinc/97/57/69/630975769.db2.gz KJXNPNYMMAHIHI-AWEZNQCLSA-N 1 0 317.776 3.375 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+](C2CCC2)CC1 ZINC000845490164 631178612 /nfs/dbraw/zinc/17/86/12/631178612.db2.gz MQAZAVMMULOJHY-UHFFFAOYSA-N 1 0 313.760 3.062 20 5 DGBDRO CC[C@@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848476856 631668018 /nfs/dbraw/zinc/66/80/18/631668018.db2.gz JCPZOXDVTHTHTO-CQSZACIVSA-N 1 0 300.362 3.290 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1Cl ZINC000848927635 631791284 /nfs/dbraw/zinc/79/12/84/631791284.db2.gz JLCUUYVTQHAGNQ-HOCLYGCPSA-N 1 0 323.824 3.355 20 5 DGBDRO Cc1cc(C)cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000849329800 631894399 /nfs/dbraw/zinc/89/43/99/631894399.db2.gz WLUNLKRMJOOWHL-QGZVFWFLSA-N 1 0 300.358 3.035 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850371097 632128972 /nfs/dbraw/zinc/12/89/72/632128972.db2.gz YKWUYTKQASCQDZ-ODDCISTRSA-N 1 0 302.374 3.299 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1SCCS1 ZINC000850402149 632140468 /nfs/dbraw/zinc/14/04/68/632140468.db2.gz QAOVNCYEBVJJAB-XFFZJAGNSA-N 1 0 310.444 3.394 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)c1ccsc1 ZINC000850437285 632152791 /nfs/dbraw/zinc/15/27/91/632152791.db2.gz OJAZBRZYJBSPML-HZMBPMFUSA-N 1 0 322.386 3.049 20 5 DGBDRO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850495276 632171509 /nfs/dbraw/zinc/17/15/09/632171509.db2.gz ZIMPOAJZYZSTJA-BXUZGUMPSA-N 1 0 307.394 3.033 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1SCCS1 ZINC000850561759 632194573 /nfs/dbraw/zinc/19/45/73/632194573.db2.gz RAIXLGREEAQQDW-SECBINFHSA-N 1 0 314.432 3.060 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852290210 632580834 /nfs/dbraw/zinc/58/08/34/632580834.db2.gz HJANHYLZCFRPAG-LLVKDONJSA-N 1 0 311.357 3.183 20 5 DGBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852425286 632602846 /nfs/dbraw/zinc/60/28/46/632602846.db2.gz JEQNUEKDWTYHBE-FZMZJTMJSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(C(F)F)cc2)cc1 ZINC000793043837 661001957 /nfs/dbraw/zinc/00/19/57/661001957.db2.gz VEJCVPYWWYEVGQ-OAHLLOKOSA-N 1 0 322.311 3.356 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccnc1F ZINC000793289066 661021712 /nfs/dbraw/zinc/02/17/12/661021712.db2.gz KABDNNQCGAIPBM-WQLSENKSSA-N 1 0 301.321 3.322 20 5 DGBDRO CC[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CCCCC1 ZINC000794616570 661094188 /nfs/dbraw/zinc/09/41/88/661094188.db2.gz NGZKGMZCZXGHRH-UHFFFAOYSA-N 1 0 319.361 3.115 20 5 DGBDRO CCCC[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@@H](C)CC ZINC000794621059 661094579 /nfs/dbraw/zinc/09/45/79/661094579.db2.gz ROZAZZLDLFCWGN-LBPRGKRZSA-N 1 0 321.377 3.361 20 5 DGBDRO CCCCOC(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795221933 661134162 /nfs/dbraw/zinc/13/41/62/661134162.db2.gz SFSMJKBFUARKKF-UHFFFAOYSA-N 1 0 308.378 3.153 20 5 DGBDRO Cc1nn(C[NH+]2CCC3(CCC3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000795720158 661169620 /nfs/dbraw/zinc/16/96/20/661169620.db2.gz TWKGAPFIUPUSPM-UHFFFAOYSA-N 1 0 314.389 3.477 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933088328 655675570 /nfs/dbraw/zinc/67/55/70/655675570.db2.gz KPSSIHIHDBUCBD-AWEZNQCLSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933912382 655738041 /nfs/dbraw/zinc/73/80/41/655738041.db2.gz JQBNAMNVFMCGCX-OAHLLOKOSA-N 1 0 310.394 3.451 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000934011817 655742309 /nfs/dbraw/zinc/74/23/09/655742309.db2.gz OBUOMCLZOQVWQS-CQSZACIVSA-N 1 0 312.797 3.279 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000715919446 661215880 /nfs/dbraw/zinc/21/58/80/661215880.db2.gz TYWFROZZLIUVMC-JSGCOSHPSA-N 1 0 322.405 3.343 20 5 DGBDRO C[N@H+](CCCF)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000716639040 661225790 /nfs/dbraw/zinc/22/57/90/661225790.db2.gz DEWCSXIYHAHXJU-UHFFFAOYSA-N 1 0 305.147 3.149 20 5 DGBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1c(F)cccc1F ZINC000051322991 656139752 /nfs/dbraw/zinc/13/97/52/656139752.db2.gz YPNNLYOCHHDDGZ-OAHLLOKOSA-N 1 0 322.311 3.038 20 5 DGBDRO CC[N@H+](CCc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178574759 656934312 /nfs/dbraw/zinc/93/43/12/656934312.db2.gz RTXUNUAJPOWQHW-GOSISDBHSA-N 1 0 314.385 3.193 20 5 DGBDRO CC(C)COCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368213 657974401 /nfs/dbraw/zinc/97/44/01/657974401.db2.gz QOYBAIKMIKXNJC-UHFFFAOYSA-N 1 0 300.786 3.401 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000055386065 658927800 /nfs/dbraw/zinc/92/78/00/658927800.db2.gz SOOYZYZRSVPLGI-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO CCC[C@@H](CCO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227446138 659155571 /nfs/dbraw/zinc/15/55/71/659155571.db2.gz PYXCUPPGPHGOCO-NSHDSACASA-N 1 0 300.786 3.137 20 5 DGBDRO C[C@@H](O)C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000170691667 659226614 /nfs/dbraw/zinc/22/66/14/659226614.db2.gz JGVNIRPLIQMDOJ-GFCCVEGCSA-N 1 0 310.369 3.249 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173307773 659379411 /nfs/dbraw/zinc/37/94/11/659379411.db2.gz UTRNGLHQLFZGGL-HWPZZCPQSA-N 1 0 322.311 3.257 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000173891710 659403966 /nfs/dbraw/zinc/40/39/66/659403966.db2.gz PKRJUNMKPPJFFE-GFCCVEGCSA-N 1 0 311.813 3.022 20 5 DGBDRO CC(C)C[C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000035368231 659711534 /nfs/dbraw/zinc/71/15/34/659711534.db2.gz KTYDRHXLNRLVOM-AWEZNQCLSA-N 1 0 313.829 3.314 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000035601038 661393790 /nfs/dbraw/zinc/39/37/90/661393790.db2.gz SCYVKFJTNZSVFQ-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930439842 661398530 /nfs/dbraw/zinc/39/85/30/661398530.db2.gz JJPQSRFPIDNLCP-UBSAEIQESA-N 1 0 310.344 3.360 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCc3ccns3)C2)cc1 ZINC000930641735 661417968 /nfs/dbraw/zinc/41/79/68/661417968.db2.gz YMMLNNRAVVPPBV-AWEZNQCLSA-N 1 0 317.414 3.473 20 5 DGBDRO C[C@](CO)([NH2+]Cc1ccccc1CF)c1cccc([N+](=O)[O-])c1 ZINC000931469150 661480278 /nfs/dbraw/zinc/48/02/78/661480278.db2.gz AACJRZFEDUVZHP-QGZVFWFLSA-N 1 0 318.348 3.062 20 5 DGBDRO CC(C)(C)[C@@H]1CSCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931597880 661491672 /nfs/dbraw/zinc/49/16/72/661491672.db2.gz XUVICOVCGCLBRJ-CABCVRRESA-N 1 0 324.446 3.092 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1[N+](=O)[O-] ZINC000931617028 661493244 /nfs/dbraw/zinc/49/32/44/661493244.db2.gz IMMDDGPZWJGAAE-BREBYQMCSA-N 1 0 318.295 3.355 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931720621 661502083 /nfs/dbraw/zinc/50/20/83/661502083.db2.gz UFLSGZSYCRHHCB-LZWOXQAQSA-N 1 0 303.406 3.133 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931720620 661502295 /nfs/dbraw/zinc/50/22/95/661502295.db2.gz UFLSGZSYCRHHCB-FMKPAKJESA-N 1 0 303.406 3.133 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCOC23CCCC3)c1 ZINC000934396956 661704469 /nfs/dbraw/zinc/70/44/69/661704469.db2.gz SIISHUYXLUDLQR-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO CSCC(C)(C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000934671175 661724298 /nfs/dbraw/zinc/72/42/98/661724298.db2.gz YVKRFYZYHSEBDJ-UHFFFAOYSA-N 1 0 321.402 3.481 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)c(F)c1 ZINC000934692483 661726559 /nfs/dbraw/zinc/72/65/59/661726559.db2.gz PFOUEOIULGPXMP-MRXNPFEDSA-N 1 0 301.321 3.370 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934834324 661738416 /nfs/dbraw/zinc/73/84/16/661738416.db2.gz QAJFYGIIKTUQFX-ZBFHGGJFSA-N 1 0 304.390 3.233 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000934837655 661739401 /nfs/dbraw/zinc/73/94/01/661739401.db2.gz UZWDVOKYIMPCCW-HZPDHXFCSA-N 1 0 304.390 3.233 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1F ZINC000934838238 661740058 /nfs/dbraw/zinc/74/00/58/661740058.db2.gz NXSAFSQYEXJNDO-GJZGRUSLSA-N 1 0 322.380 3.373 20 5 DGBDRO CCOC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000188866836 661950177 /nfs/dbraw/zinc/95/01/77/661950177.db2.gz LCOOBPPJCNORGV-AWEZNQCLSA-N 1 0 300.786 3.399 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C[C@H]([NH3+])CC(C)C ZINC001579605275 1191981965 /nfs/dbraw/zinc/98/19/65/1191981965.db2.gz NVKVJKHUWPTJKS-SNVBAGLBSA-N 1 0 313.785 3.259 20 5 DGBDRO [NH3+]C[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001580329486 1192021166 /nfs/dbraw/zinc/02/11/66/1192021166.db2.gz BWUKLCUSLGRSPX-LLVKDONJSA-N 1 0 318.204 3.215 20 5 DGBDRO [NH3+]C[C@H]1CC[C@H](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC001580331331 1192022027 /nfs/dbraw/zinc/02/20/27/1192022027.db2.gz KDVNICRMLWYVIM-HDJSIYSDSA-N 1 0 314.389 3.223 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCC[NH2+]CC3)sc2c1 ZINC001580876059 1192043512 /nfs/dbraw/zinc/04/35/12/1192043512.db2.gz YWZVOIJSVIXVAO-SNVBAGLBSA-N 1 0 306.391 3.006 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCCC[NH2+]2)c2ncccc12 ZINC001580875567 1192043625 /nfs/dbraw/zinc/04/36/25/1192043625.db2.gz NBEOVITVQMOKND-LBPRGKRZSA-N 1 0 300.362 3.087 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1CCOCC1 ZINC001331907602 1178303988 /nfs/dbraw/zinc/30/39/88/1178303988.db2.gz KWNDCUBBMGKGNB-GFCCVEGCSA-N 1 0 310.369 3.071 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001333876526 1178688645 /nfs/dbraw/zinc/68/86/45/1178688645.db2.gz OZCNSQMDNFEHHD-OUCADQQQSA-N 1 0 323.824 3.415 20 5 DGBDRO Cc1c(NC(=O)c2ccc3c[nH+]cn3c2C)cccc1[N+](=O)[O-] ZINC001341961680 1179085561 /nfs/dbraw/zinc/08/55/61/1179085561.db2.gz CFGXXKFKOWMOKV-UHFFFAOYSA-N 1 0 310.313 3.112 20 5 DGBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC001343318461 1179255441 /nfs/dbraw/zinc/25/54/41/1179255441.db2.gz GWQMTGQXXFPZSY-RWMBFGLXSA-N 1 0 323.824 3.415 20 5 DGBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001346110773 1179655291 /nfs/dbraw/zinc/65/52/91/1179655291.db2.gz TZMVJGUCKAURAA-ROUUACIJSA-N 1 0 312.369 3.214 20 5 DGBDRO CC[N@H+](CCNc1ccnc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC001346179616 1179666495 /nfs/dbraw/zinc/66/64/95/1179666495.db2.gz ADQPNKCYGPZGMB-UHFFFAOYSA-N 1 0 300.362 3.039 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2C[C@@]2(C)Br)cccc1[N+](=O)[O-] ZINC001352021275 1180281686 /nfs/dbraw/zinc/28/16/86/1180281686.db2.gz BGQDKUVGRUMDPF-DGCLKSJQSA-N 1 0 313.195 3.166 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC001200401143 1180613023 /nfs/dbraw/zinc/61/30/23/1180613023.db2.gz OLAHJLHBWSGDNZ-GOSISDBHSA-N 1 0 312.369 3.307 20 5 DGBDRO Cc1cc(NCCCCc2cc[nH+]c(N)c2)c(F)cc1[N+](=O)[O-] ZINC001472888749 1180937429 /nfs/dbraw/zinc/93/74/29/1180937429.db2.gz NUFAEIRBRITHMN-UHFFFAOYSA-N 1 0 318.352 3.454 20 5 DGBDRO Cc1cc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001355361893 1181043738 /nfs/dbraw/zinc/04/37/38/1181043738.db2.gz HNQPIIYEZZLOJC-SOUVJXGZSA-N 1 0 303.406 3.070 20 5 DGBDRO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001458547728 1182537725 /nfs/dbraw/zinc/53/77/25/1182537725.db2.gz PGVKRLOIFAJGDZ-INIZCTEOSA-N 1 0 323.356 3.070 20 5 DGBDRO C[N@@H+]1C[C@@]23CN(c4ccc(F)cc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001458718282 1182549709 /nfs/dbraw/zinc/54/97/09/1182549709.db2.gz PEIADSVGADQBET-CALCHBBNSA-N 1 0 319.380 3.046 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CCO)C1CCCC1 ZINC001460850500 1182731106 /nfs/dbraw/zinc/73/11/06/1182731106.db2.gz HKZWPXQFNXLHIO-CXAGYDPISA-N 1 0 306.406 3.495 20 5 DGBDRO C[C@@H](CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[NH+](C)C ZINC001461661603 1182838933 /nfs/dbraw/zinc/83/89/33/1182838933.db2.gz GOFHCGYYCLWUII-ZDUSSCGKSA-N 1 0 317.389 3.285 20 5 DGBDRO C[C@H](C[NH2+]Cc1cnc2ccccn12)c1ccccc1[N+](=O)[O-] ZINC001461789843 1182855303 /nfs/dbraw/zinc/85/53/03/1182855303.db2.gz SQYHTEWOIPKTGI-CYBMUJFWSA-N 1 0 310.357 3.136 20 5 DGBDRO CC[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001462273137 1182931380 /nfs/dbraw/zinc/93/13/80/1182931380.db2.gz UNKCQXLUKDEGBX-RYUDHWBXSA-N 1 0 308.378 3.225 20 5 DGBDRO C[N@@H+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CCC1(C)C ZINC001472843083 1183689830 /nfs/dbraw/zinc/68/98/30/1183689830.db2.gz AFVAWYMTMYMIAQ-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC001473217613 1183732355 /nfs/dbraw/zinc/73/23/55/1183732355.db2.gz BWVLNCPVIZPGGV-INIZCTEOSA-N 1 0 312.369 3.420 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC001473365345 1183749025 /nfs/dbraw/zinc/74/90/25/1183749025.db2.gz NDXVIMZBEAXSKC-QWHCGFSZSA-N 1 0 319.405 3.290 20 5 DGBDRO Cc1ccc(CN2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001473600283 1183779485 /nfs/dbraw/zinc/77/94/85/1183779485.db2.gz YNIAXUWZDVZRHM-MRXNPFEDSA-N 1 0 305.422 3.065 20 5 DGBDRO CC(C)(C)[C@@H]1CSCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001473751373 1183797011 /nfs/dbraw/zinc/79/70/11/1183797011.db2.gz UFPIRODABOCHQM-HNNXBMFYSA-N 1 0 324.446 3.437 20 5 DGBDRO C[C@@H]([NH2+]C[Si](C)(C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001473768815 1183800124 /nfs/dbraw/zinc/80/01/24/1183800124.db2.gz HRZHAGHVZGNWDC-CQSZACIVSA-N 1 0 314.461 3.400 20 5 DGBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001473797357 1183804334 /nfs/dbraw/zinc/80/43/34/1183804334.db2.gz LRXSUFSDNSRQKL-CQSZACIVSA-N 1 0 303.406 3.044 20 5 DGBDRO Cc1c(C[N@@H+](C)C[C@]23CCC[C@H]2OCC3)cccc1[N+](=O)[O-] ZINC001473897094 1183821921 /nfs/dbraw/zinc/82/19/21/1183821921.db2.gz IFNCQHSKWOKQFZ-IAGOWNOFSA-N 1 0 304.390 3.294 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cscc2Cl)cc1 ZINC001473981863 1183842780 /nfs/dbraw/zinc/84/27/80/1183842780.db2.gz QZJIRCMSARGUNM-UHFFFAOYSA-N 1 0 312.778 3.478 20 5 DGBDRO Cc1cccc2c1C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CO2 ZINC001474218202 1183884688 /nfs/dbraw/zinc/88/46/88/1183884688.db2.gz YRHDJZZFJLOBBW-OAHLLOKOSA-N 1 0 312.369 3.305 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC001474231182 1183886859 /nfs/dbraw/zinc/88/68/59/1183886859.db2.gz UZCOZMURPNYUQT-MRXNPFEDSA-N 1 0 317.433 3.318 20 5 DGBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])c2ccccc21)C(C)C ZINC001611924015 1193443256 /nfs/dbraw/zinc/44/32/56/1193443256.db2.gz QRTYYFMRCHLPQP-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(c3cncn3C)CC2)c1 ZINC001516511862 1186785909 /nfs/dbraw/zinc/78/59/09/1186785909.db2.gz GASLVXJJWJSDJJ-UHFFFAOYSA-N 1 0 300.362 3.021 20 5 DGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001612099363 1193446553 /nfs/dbraw/zinc/44/65/53/1193446553.db2.gz OYMSCGPWNOTBMM-UHFFFAOYSA-N 1 0 317.364 3.302 20 5 DGBDRO CC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1C ZINC001612819829 1193462024 /nfs/dbraw/zinc/46/20/24/1193462024.db2.gz DWAKKDUXMBMDCT-BETUJISGSA-N 1 0 314.389 3.062 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C12CCC[NH+]1CCC2 ZINC001538538689 1188147859 /nfs/dbraw/zinc/14/78/59/1188147859.db2.gz FUMFBJPKXWTBME-UHFFFAOYSA-N 1 0 323.780 3.124 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001617207029 1193562121 /nfs/dbraw/zinc/56/21/21/1193562121.db2.gz MXBMNSDKEMLVNM-GXTWGEPZSA-N 1 0 308.378 3.151 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c[nH+]cn3c2)c1C ZINC001558590521 1189136333 /nfs/dbraw/zinc/13/63/33/1189136333.db2.gz PFVDRAAIZUTTAK-UHFFFAOYSA-N 1 0 310.313 3.112 20 5 DGBDRO O=[N+]([O-])c1cnc2cc(Br)ccc2c1-n1ccnc1 ZINC001559055079 1189166052 /nfs/dbraw/zinc/16/60/52/1189166052.db2.gz WXPYZUNHOIEDEV-UHFFFAOYSA-N 1 0 319.118 3.091 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001559185642 1189178455 /nfs/dbraw/zinc/17/84/55/1189178455.db2.gz ZVXCOWAYRNEBOZ-AWEZNQCLSA-N 1 0 318.421 3.155 20 5 DGBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC001559839892 1189247107 /nfs/dbraw/zinc/24/71/07/1189247107.db2.gz QSMMFVCPXDNCOW-CVEARBPZSA-N 1 0 304.390 3.293 20 5 DGBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC001559839894 1189247696 /nfs/dbraw/zinc/24/76/96/1189247696.db2.gz QSMMFVCPXDNCOW-HZPDHXFCSA-N 1 0 304.390 3.293 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC001559846847 1189249197 /nfs/dbraw/zinc/24/91/97/1189249197.db2.gz MFWVAMAPRPBGLN-HFBAOOFYSA-N 1 0 322.405 3.143 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC001559952723 1189261742 /nfs/dbraw/zinc/26/17/42/1189261742.db2.gz VOTAXIHARULIKT-UHFFFAOYSA-N 1 0 305.422 3.209 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001560223599 1189293284 /nfs/dbraw/zinc/29/32/84/1189293284.db2.gz CCMAEOXQGFYMQJ-RDJZCZTQSA-N 1 0 304.390 3.437 20 5 DGBDRO Cc1ccccc1-n1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001560283114 1189305472 /nfs/dbraw/zinc/30/54/72/1189305472.db2.gz YKUOEIGIWLKYQN-UHFFFAOYSA-N 1 0 322.368 3.379 20 5 DGBDRO CC(C)(C)[C@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001560382631 1189321225 /nfs/dbraw/zinc/32/12/25/1189321225.db2.gz LEVNXSGNZXBADW-KBPBESRZSA-N 1 0 308.426 3.376 20 5 DGBDRO CCCn1cncc1C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC001560423257 1189326347 /nfs/dbraw/zinc/32/63/47/1189326347.db2.gz BDMFCZUWTMLWCD-INIZCTEOSA-N 1 0 302.378 3.442 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)C2CCCC2)c(Cl)c1 ZINC001560976990 1189414558 /nfs/dbraw/zinc/41/45/58/1189414558.db2.gz XDUMPXMFBNDXGK-OAHLLOKOSA-N 1 0 312.797 3.279 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(O)(C(C)C)CC1 ZINC001561046513 1189425526 /nfs/dbraw/zinc/42/55/26/1189425526.db2.gz OVYDVQJBDUAAIM-UHFFFAOYSA-N 1 0 306.406 3.195 20 5 DGBDRO C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC001576164127 1191534651 /nfs/dbraw/zinc/53/46/51/1191534651.db2.gz KRHUWJMQVCCXJG-NEPJUHHUSA-N 1 0 313.357 3.106 20 5 DGBDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC001576389017 1191580250 /nfs/dbraw/zinc/58/02/50/1191580250.db2.gz DMABCMZVFPAAHT-CFVMTHIKSA-N 1 0 323.824 3.114 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC=CC23CCCCC3)c1 ZINC001620681230 1193790051 /nfs/dbraw/zinc/79/00/51/1193790051.db2.gz FXWNIQKNHMPYBK-MRXNPFEDSA-N 1 0 302.374 3.203 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001621364926 1193834446 /nfs/dbraw/zinc/83/44/46/1193834446.db2.gz ZMRZCUFDLRCOOJ-GFCCVEGCSA-N 1 0 313.829 3.458 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001621398618 1193837783 /nfs/dbraw/zinc/83/77/83/1193837783.db2.gz NAURWSXCNFYTSI-RYUDHWBXSA-N 1 0 308.378 3.223 20 5 DGBDRO COc1c(O)ccc(C[NH2+][C@@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC001621402336 1193837854 /nfs/dbraw/zinc/83/78/54/1193837854.db2.gz QTSMNDLKKKSJCL-NSHDSACASA-N 1 0 308.378 3.367 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC001621527525 1193854280 /nfs/dbraw/zinc/85/42/80/1193854280.db2.gz SVRWZAGDHFQCMP-GDBMZVCRSA-N 1 0 318.417 3.465 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001638230586 1194707855 /nfs/dbraw/zinc/70/78/55/1194707855.db2.gz GRHJHKYJYITVEN-UONOGXRCSA-N 1 0 319.405 3.271 20 5 DGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001640155398 1194799480 /nfs/dbraw/zinc/79/94/80/1194799480.db2.gz QLCFYEGZTZIBDO-NSHDSACASA-N 1 0 312.801 3.176 20 5 DGBDRO CN(CCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001640354720 1194808250 /nfs/dbraw/zinc/80/82/50/1194808250.db2.gz DQPXTXHFLVIPIR-UHFFFAOYSA-N 1 0 301.337 3.310 20 5 DGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001641921857 1194879135 /nfs/dbraw/zinc/87/91/35/1194879135.db2.gz WRRHEDFPDYPKJU-OAHLLOKOSA-N 1 0 319.405 3.434 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001642247620 1194895820 /nfs/dbraw/zinc/89/58/20/1194895820.db2.gz FPNPQRVAYYNGAF-JTQLQIEISA-N 1 0 317.311 3.367 20 5 DGBDRO CN(C[C@H]1CCC[N@@H+]1C)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001642829661 1194944464 /nfs/dbraw/zinc/94/44/64/1194944464.db2.gz FMXRTZXLIAHPAO-SECBINFHSA-N 1 0 318.204 3.432 20 5 DGBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C)C1 ZINC001642938579 1194955463 /nfs/dbraw/zinc/95/54/63/1194955463.db2.gz YTPLIFGKZAYQLT-HOCLYGCPSA-N 1 0 322.405 3.111 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001643799391 1195056060 /nfs/dbraw/zinc/05/60/60/1195056060.db2.gz MYWORTUTTVPVJS-SNVBAGLBSA-N 1 0 313.785 3.307 20 5 DGBDRO COc1ccc2c(c1)C[N@@H+](CC[N+](=O)[O-])[C@@H](C1CCCCC1)C2 ZINC001644785079 1195134542 /nfs/dbraw/zinc/13/45/42/1195134542.db2.gz HWLBPBRKFSLFEY-GOSISDBHSA-N 1 0 318.417 3.279 20 5 DGBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001645635105 1195195907 /nfs/dbraw/zinc/19/59/07/1195195907.db2.gz MOWOQVRLBJYTLK-ZDUSSCGKSA-N 1 0 311.813 3.164 20 5 DGBDRO CCOc1cc(C[NH2+]C2([C@@H]3CCCO3)CCC2)ccc1[N+](=O)[O-] ZINC001648625148 1195315655 /nfs/dbraw/zinc/31/56/55/1195315655.db2.gz VPJXHCLNCNLNLN-INIZCTEOSA-N 1 0 320.389 3.185 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOCC23CCCC3)cc1F ZINC001648638407 1195317025 /nfs/dbraw/zinc/31/70/25/1195317025.db2.gz QNLZAXWXBNKVPT-HNNXBMFYSA-N 1 0 308.353 3.173 20 5 DGBDRO Cc1cccc([C@@H](O)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001650748782 1195377286 /nfs/dbraw/zinc/37/72/86/1195377286.db2.gz UPEGKMCHEPDDQZ-SFHVURJKSA-N 1 0 314.385 3.343 20 5 DGBDRO C[C@H]([NH2+]Cc1cn2ccnc2s1)c1ccccc1[N+](=O)[O-] ZINC001651512809 1195474079 /nfs/dbraw/zinc/47/40/79/1195474079.db2.gz GASVRWLNCJTSDO-JTQLQIEISA-N 1 0 302.359 3.155 20 5 DGBDRO Cc1c(C[NH2+]Cc2c[nH]c(=O)c3ccccc23)cccc1[N+](=O)[O-] ZINC001651582315 1195482433 /nfs/dbraw/zinc/48/24/33/1195482433.db2.gz OFCFQXYJOQSZDU-UHFFFAOYSA-N 1 0 323.352 3.447 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1(C)C ZINC001651973425 1195530039 /nfs/dbraw/zinc/53/00/39/1195530039.db2.gz XNYZERCCTDZYOU-CABCVRRESA-N 1 0 314.389 3.284 20 5 DGBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1C ZINC001652248936 1195568545 /nfs/dbraw/zinc/56/85/45/1195568545.db2.gz XSJRQEBJLHADJX-KWQFWETISA-N 1 0 303.284 3.118 20 5 DGBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1ccc([N+](=O)[O-])cc1F ZINC001652513613 1195609962 /nfs/dbraw/zinc/60/99/62/1195609962.db2.gz UIVRRQLQQKBWTF-HNNXBMFYSA-N 1 0 323.412 3.334 20 5 DGBDRO C[C@H](Cc1cccs1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001652665625 1195633627 /nfs/dbraw/zinc/63/36/27/1195633627.db2.gz OGUDSUKGTGVDJC-WBMJQRKESA-N 1 0 320.414 3.253 20 5 DGBDRO Cc1c(C[N@@H+](CCO)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC001652954557 1195675010 /nfs/dbraw/zinc/67/50/10/1195675010.db2.gz RSLLWJXXMBCBFG-HNNXBMFYSA-N 1 0 314.385 3.459 20 5 DGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCC3CCC3)CC2)c1 ZINC001653150527 1195693271 /nfs/dbraw/zinc/69/32/71/1195693271.db2.gz BLYHSVAIVSGBBF-UHFFFAOYSA-N 1 0 303.406 3.297 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC001653646418 1195741014 /nfs/dbraw/zinc/74/10/14/1195741014.db2.gz SUNLBMOPLMTCJR-HZPDHXFCSA-N 1 0 322.405 3.285 20 5 DGBDRO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@@H](C)C1 ZINC001653736471 1195747132 /nfs/dbraw/zinc/74/71/32/1195747132.db2.gz ULQUCCNXZLYFBB-HUUCEWRRSA-N 1 0 308.426 3.472 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001653862457 1195755492 /nfs/dbraw/zinc/75/54/92/1195755492.db2.gz HRUGWEYPDONMHV-ZDUSSCGKSA-N 1 0 322.405 3.350 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC001653950934 1195762565 /nfs/dbraw/zinc/76/25/65/1195762565.db2.gz ZXRLFBUQIAORHT-HNNXBMFYSA-N 1 0 304.390 3.486 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC001654235188 1195787065 /nfs/dbraw/zinc/78/70/65/1195787065.db2.gz CWYPIJRCFKQLFC-AWEZNQCLSA-N 1 0 310.369 3.435 20 5 DGBDRO C[N@@H+]1C[C@@]2(C)CN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001655234428 1195894795 /nfs/dbraw/zinc/89/47/95/1195894795.db2.gz IODWMVAILNCZRX-IYBDPMFKSA-N 1 0 323.824 3.022 20 5 DGBDRO Cc1c(CN[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001655404296 1195912543 /nfs/dbraw/zinc/91/25/43/1195912543.db2.gz UXNYBEAGGWBIPM-ZNMIVQPWSA-N 1 0 319.449 3.359 20 5 DGBDRO C[C@H](NCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001655554347 1195931275 /nfs/dbraw/zinc/93/12/75/1195931275.db2.gz DWZZDNWGEQUUIN-KKUMJFAQSA-N 1 0 305.422 3.223 20 5 DGBDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001656583714 1196051923 /nfs/dbraw/zinc/05/19/23/1196051923.db2.gz OUVBAZJSSIIHCA-OAHLLOKOSA-N 1 0 318.373 3.351 20 5 DGBDRO Cc1nccn1CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001657008458 1196092312 /nfs/dbraw/zinc/09/23/12/1196092312.db2.gz XBQAEIMHKMAKOO-UHFFFAOYSA-N 1 0 302.378 3.013 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C1CC1)C1CCC(C)CC1 ZINC001657005172 1196092454 /nfs/dbraw/zinc/09/24/54/1196092454.db2.gz KHMGFZSGJIFZMB-UHFFFAOYSA-N 1 0 306.410 3.143 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCNc1ccccn1 ZINC001657355249 1196133620 /nfs/dbraw/zinc/13/36/20/1196133620.db2.gz NUKVETMBQQPIAO-UHFFFAOYSA-N 1 0 314.389 3.198 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC001657388661 1196136415 /nfs/dbraw/zinc/13/64/15/1196136415.db2.gz ZUOLPVZOTHJIQX-ZDUSSCGKSA-N 1 0 308.378 3.320 20 5 DGBDRO COc1cc(C[NH2+]C[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1O ZINC001657756770 1196175762 /nfs/dbraw/zinc/17/57/62/1196175762.db2.gz VPRWDCLFHWIIML-LBPRGKRZSA-N 1 0 316.357 3.202 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccc([N+](=O)[O-])cc1 ZINC001657988290 1196199097 /nfs/dbraw/zinc/19/90/97/1196199097.db2.gz BJSVZGHBVIULSG-LBPRGKRZSA-N 1 0 310.357 3.332 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001658075952 1196209613 /nfs/dbraw/zinc/20/96/13/1196209613.db2.gz JVOLBIOPSVMCGA-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC(C)(C)C(C)(C)C)c1[N+](=O)[O-] ZINC001658190484 1196223141 /nfs/dbraw/zinc/22/31/41/1196223141.db2.gz XEMQVWXGRUWMCD-UHFFFAOYSA-N 1 0 310.394 3.471 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001658506604 1196267218 /nfs/dbraw/zinc/26/72/18/1196267218.db2.gz MTHYAGMSDQHWMA-DZUCGIPZSA-N 1 0 318.417 3.463 20 5 DGBDRO Cc1c(C[NH2+]Cc2ccc3c(=O)cc[nH]c3c2)cccc1[N+](=O)[O-] ZINC001658515023 1196268075 /nfs/dbraw/zinc/26/80/75/1196268075.db2.gz PDWKTROLIBOVIM-UHFFFAOYSA-N 1 0 323.352 3.035 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC001658620454 1196281554 /nfs/dbraw/zinc/28/15/54/1196281554.db2.gz JOQAEXZIJBYKKZ-AWEZNQCLSA-N 1 0 304.390 3.260 20 5 DGBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001658652109 1196284146 /nfs/dbraw/zinc/28/41/46/1196284146.db2.gz PIIZENKMSPOEAY-RISCZKNCSA-N 1 0 318.398 3.448 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001659032538 1196334403 /nfs/dbraw/zinc/33/44/03/1196334403.db2.gz LEUOVYWEFGQRNM-HNNXBMFYSA-N 1 0 324.739 3.211 20 5 DGBDRO CO[C@@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC001659218063 1196359939 /nfs/dbraw/zinc/35/99/39/1196359939.db2.gz IZXWGSWEXHZNLD-CQSZACIVSA-N 1 0 314.813 3.441 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c1 ZINC001659889651 1196425986 /nfs/dbraw/zinc/42/59/86/1196425986.db2.gz QYGLQUDTZBWLFH-IMJJTQAJSA-N 1 0 324.808 3.374 20 5 DGBDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001659994683 1196436377 /nfs/dbraw/zinc/43/63/77/1196436377.db2.gz CJFOJATXXRJOQY-XJKCOSOUSA-N 1 0 319.405 3.336 20 5 DGBDRO Cc1c[nH]c(=O)c(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC001660150737 1196451466 /nfs/dbraw/zinc/45/14/66/1196451466.db2.gz NUUQECXEGDDEHW-CYBMUJFWSA-N 1 0 315.373 3.115 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCCSC[C@H]2C)ccc1[N+](=O)[O-] ZINC001660542124 1196495549 /nfs/dbraw/zinc/49/55/49/1196495549.db2.gz GWQZVJZVJSJAMW-GFCCVEGCSA-N 1 0 310.419 3.321 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@@]12CCCOC2 ZINC001660701716 1196514376 /nfs/dbraw/zinc/51/43/76/1196514376.db2.gz WYYSLDLVHAQCRM-INIZCTEOSA-N 1 0 308.353 3.269 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC001660747805 1196518855 /nfs/dbraw/zinc/51/88/55/1196518855.db2.gz KWORFBYAXCKGEV-GOSISDBHSA-N 1 0 313.401 3.296 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC001660796834 1196526094 /nfs/dbraw/zinc/52/60/94/1196526094.db2.gz WISCVESDZPZQFS-QBIMZIAESA-N 1 0 318.417 3.463 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc3ncccc23)cc1 ZINC001661306343 1196592484 /nfs/dbraw/zinc/59/24/84/1196592484.db2.gz WDSOQDPSXJWLJH-UHFFFAOYSA-N 1 0 323.352 3.312 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC(F)(F)F)c1 ZINC001661576503 1196620988 /nfs/dbraw/zinc/62/09/88/1196620988.db2.gz MJQCXJIYWJGYLO-UHFFFAOYSA-N 1 0 314.210 3.238 20 5 DGBDRO Cc1c(C[NH2+]Cc2cnc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC001662209145 1196695134 /nfs/dbraw/zinc/69/51/34/1196695134.db2.gz ZHKZFAIWYBWPLX-UHFFFAOYSA-N 1 0 309.728 3.381 20 5 DGBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C[C@@H]1C=CCC1 ZINC001663151697 1196800161 /nfs/dbraw/zinc/80/01/61/1196800161.db2.gz GXUVRYWMTUEEGM-SNVBAGLBSA-N 1 0 311.179 3.413 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cccc2c1OCO2)c1ccccc1[N+](=O)[O-] ZINC001663366171 1196848235 /nfs/dbraw/zinc/84/82/35/1196848235.db2.gz MIVPLCCJZJZZDL-LBPRGKRZSA-N 1 0 314.341 3.217 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(C)CCCCO1 ZINC001663377978 1196851267 /nfs/dbraw/zinc/85/12/67/1196851267.db2.gz IJNUWKCTNQOTSJ-MRXNPFEDSA-N 1 0 308.378 3.042 20 5 DGBDRO COC(=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC001664265171 1196985068 /nfs/dbraw/zinc/98/50/68/1196985068.db2.gz UZBWYPZVPDWAJL-UHFFFAOYSA-N 1 0 320.389 3.116 20 5 DGBDRO Cc1cc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001681194391 1198958174 /nfs/dbraw/zinc/95/81/74/1198958174.db2.gz BWJVSOLESREDPD-LBPRGKRZSA-N 1 0 322.409 3.001 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC23CC[NH+](CC2)CC3)c2ccncc21 ZINC001169796500 1081657388 /nfs/dbraw/zinc/65/73/88/1081657388.db2.gz PCRAZMHTPFQUJP-UHFFFAOYSA-N 1 0 312.373 3.041 20 5 DGBDRO C[NH+]1CCN(c2cccc(Nc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC001204455331 1081784422 /nfs/dbraw/zinc/78/44/22/1081784422.db2.gz AETSIHRMBDZIFV-UHFFFAOYSA-N 1 0 312.373 3.090 20 5 DGBDRO [NH3+]Cc1cccn1-c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001156731420 1081845518 /nfs/dbraw/zinc/84/55/18/1081845518.db2.gz YSJFFRQEMDQMCO-UHFFFAOYSA-N 1 0 302.721 3.046 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001167473049 1082202794 /nfs/dbraw/zinc/20/27/94/1082202794.db2.gz FNKPFJLPGLXPEA-CABCVRRESA-N 1 0 310.369 3.369 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170296246 1082337426 /nfs/dbraw/zinc/33/74/26/1082337426.db2.gz FVQYFYBXJFYQDX-ZFWWWQNUSA-N 1 0 322.405 3.083 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]CCC(F)(F)F)c([N+](=O)[O-])c1 ZINC001170298179 1082338312 /nfs/dbraw/zinc/33/83/12/1082338312.db2.gz HNXQWQAKMPCMEN-SECBINFHSA-N 1 0 306.284 3.076 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccoc2)c([N+](=O)[O-])c1 ZINC001170315927 1082344798 /nfs/dbraw/zinc/34/47/98/1082344798.db2.gz ZGDYOZZJQROKCW-VXGBXAGGSA-N 1 0 304.346 3.478 20 5 DGBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2ccncc2)c([N+](=O)[O-])c1 ZINC001170326693 1082346649 /nfs/dbraw/zinc/34/66/49/1082346649.db2.gz BPZZSKYEXAEUNG-ZDUSSCGKSA-N 1 0 315.373 3.061 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170328341 1082347375 /nfs/dbraw/zinc/34/73/75/1082347375.db2.gz JXVADMSFXJSHOF-YUELXQCFSA-N 1 0 304.390 3.266 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]C2(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170328040 1082347784 /nfs/dbraw/zinc/34/77/84/1082347784.db2.gz UCVWBQDIBYSTBC-GFCCVEGCSA-N 1 0 304.390 3.457 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001170329777 1082347846 /nfs/dbraw/zinc/34/78/46/1082347846.db2.gz UHZIFHVLBUQJIM-JSGCOSHPSA-N 1 0 310.369 3.358 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170345423 1082356527 /nfs/dbraw/zinc/35/65/27/1082356527.db2.gz KGHNZAFHNYFHOW-CZUORRHYSA-N 1 0 322.405 3.035 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC001170348217 1082356731 /nfs/dbraw/zinc/35/67/31/1082356731.db2.gz VTFRFBCUWUDPFX-DNOWBOINSA-N 1 0 304.390 3.409 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(CF)CC2)c([N+](=O)[O-])c1 ZINC001170345855 1082357112 /nfs/dbraw/zinc/35/71/12/1082357112.db2.gz NAPIRWVYNQCKAC-GFCCVEGCSA-N 1 0 310.369 3.216 20 5 DGBDRO COc1ccc(C[C@H](C)[NH+]2CCC(CF)CC2)c([N+](=O)[O-])c1 ZINC001170345856 1082357144 /nfs/dbraw/zinc/35/71/44/1082357144.db2.gz NAPIRWVYNQCKAC-LBPRGKRZSA-N 1 0 310.369 3.216 20 5 DGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1nc(Cl)ccc1[N+](=O)[O-] ZINC001167624949 1082618492 /nfs/dbraw/zinc/61/84/92/1082618492.db2.gz JDNHBDSKVDQHTL-UHFFFAOYSA-N 1 0 312.801 3.128 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CCC[NH2+]C[C@@H]2F)cc1Cl ZINC001217953248 1082966622 /nfs/dbraw/zinc/96/66/22/1082966622.db2.gz XLARHRNVAJLAKC-ONGXEEELSA-N 1 0 323.151 3.371 20 5 DGBDRO Cc1cnc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001170681550 1083107816 /nfs/dbraw/zinc/10/78/16/1083107816.db2.gz IKPCLVUSGFIJQW-LBPRGKRZSA-N 1 0 323.356 3.171 20 5 DGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001218418547 1083184991 /nfs/dbraw/zinc/18/49/91/1083184991.db2.gz ZYGNDPWTIMXYFR-WRWORJQWSA-N 1 0 305.161 3.278 20 5 DGBDRO CCCC[NH+](CCCC)CCNc1cnc(F)c([N+](=O)[O-])c1 ZINC001167734974 1083313719 /nfs/dbraw/zinc/31/37/19/1083313719.db2.gz RPSAYXGPLNNLDX-UHFFFAOYSA-N 1 0 312.389 3.443 20 5 DGBDRO Cc1ccc(Cl)cc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001184155230 1084109667 /nfs/dbraw/zinc/10/96/67/1084109667.db2.gz ZMRLKKGSHDIVJG-UHFFFAOYSA-N 1 0 320.780 3.246 20 5 DGBDRO C[NH+](C)CCN(Cc1ccsc1)c1ccc(F)cc1[N+](=O)[O-] ZINC001186672661 1084685387 /nfs/dbraw/zinc/68/53/87/1084685387.db2.gz DDMQBBRSGCYNML-UHFFFAOYSA-N 1 0 323.393 3.364 20 5 DGBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001299195017 1087041919 /nfs/dbraw/zinc/04/19/19/1087041919.db2.gz GTZDDKMUGJIAMR-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158264760 1087748558 /nfs/dbraw/zinc/74/85/58/1087748558.db2.gz CLOSHFMDPHZYAK-WBMJQRKESA-N 1 0 306.410 3.254 20 5 DGBDRO CC(C)[N@@H+]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)C[C@@H]1C ZINC001158494477 1087870232 /nfs/dbraw/zinc/87/02/32/1087870232.db2.gz KIDGMSLKJGNPIG-ZDUSSCGKSA-N 1 0 314.389 3.062 20 5 DGBDRO CC[N@@H+]1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)C(C)(C)C1 ZINC001158563091 1087914354 /nfs/dbraw/zinc/91/43/54/1087914354.db2.gz WIMWSQWAUCPIKJ-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC(C)(C)CC[NH+](C)C)n1 ZINC001158757076 1088011312 /nfs/dbraw/zinc/01/13/12/1088011312.db2.gz JBRFKYPGTMZZDG-UHFFFAOYSA-N 1 0 300.790 3.094 20 5 DGBDRO CCC(C)(C)CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001158810633 1088040008 /nfs/dbraw/zinc/04/00/08/1088040008.db2.gz QAOVKSACYCFYQF-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1-n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001159589939 1088405622 /nfs/dbraw/zinc/40/56/22/1088405622.db2.gz BYFPTFMYMOAAPM-LBPRGKRZSA-N 1 0 323.356 3.171 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc3c(c2)C[NH2+]CC3)c1F ZINC001159615414 1088421198 /nfs/dbraw/zinc/42/11/98/1088421198.db2.gz LXWRQNGQXBQACA-UHFFFAOYSA-N 1 0 305.284 3.262 20 5 DGBDRO O=[N+]([O-])c1ccccc1Nc1ccc(OC2CC[NH2+]CC2)cc1 ZINC001159622591 1088423532 /nfs/dbraw/zinc/42/35/32/1088423532.db2.gz TXCZNGXUZTUPKR-UHFFFAOYSA-N 1 0 313.357 3.469 20 5 DGBDRO Nc1ccc(Nc2cccc(C3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC001159757699 1088475626 /nfs/dbraw/zinc/47/56/26/1088475626.db2.gz SWMIKGRUTIUTII-UHFFFAOYSA-N 1 0 312.373 3.388 20 5 DGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC001159791326 1088483697 /nfs/dbraw/zinc/48/36/97/1088483697.db2.gz MBOCZJAXMVEYGB-VQHVLOKHSA-N 1 0 311.341 3.160 20 5 DGBDRO Cc1ccc(Nc2cccc(N3CC[NH2+]CC3)c2)c([N+](=O)[O-])c1 ZINC001159855545 1088520115 /nfs/dbraw/zinc/52/01/15/1088520115.db2.gz BKNYUNTWBIIPCC-UHFFFAOYSA-N 1 0 312.373 3.056 20 5 DGBDRO Cc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001159924743 1088556349 /nfs/dbraw/zinc/55/63/49/1088556349.db2.gz XCFCOADDDHLQMS-MRXNPFEDSA-N 1 0 313.357 3.388 20 5 DGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncc(C)cc3[N+](=O)[O-])c2c1 ZINC001160004262 1088596291 /nfs/dbraw/zinc/59/62/91/1088596291.db2.gz MWEMBCWPCDNHID-CYBMUJFWSA-N 1 0 324.384 3.440 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2ccc(CC3CC[NH2+]CC3)cc2)cn1 ZINC001160015588 1088604121 /nfs/dbraw/zinc/60/41/21/1088604121.db2.gz XNFAZHKHAQQUJP-UHFFFAOYSA-N 1 0 312.373 3.276 20 5 DGBDRO [NH3+]CCc1cc2ccccc2n1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001160125243 1088653038 /nfs/dbraw/zinc/65/30/38/1088653038.db2.gz ZPQLTYGNJKDDIO-UHFFFAOYSA-N 1 0 316.748 3.088 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160141290 1088664190 /nfs/dbraw/zinc/66/41/90/1088664190.db2.gz GWEPCLPJLLWLIM-CQSZACIVSA-N 1 0 317.320 3.218 20 5 DGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160167911 1088684099 /nfs/dbraw/zinc/68/40/99/1088684099.db2.gz VUOAOHPJEKPXID-GFCCVEGCSA-N 1 0 317.320 3.218 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2cccc(F)c2O[C@@H]2CC[NH2+]C2)cc1 ZINC001160181983 1088688079 /nfs/dbraw/zinc/68/80/79/1088688079.db2.gz JEEVXMKAHVIIFM-CYBMUJFWSA-N 1 0 317.320 3.218 20 5 DGBDRO Cc1ccc(Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)cc1[N+](=O)[O-] ZINC001160401274 1088786742 /nfs/dbraw/zinc/78/67/42/1088786742.db2.gz YRZILDULCHDEIZ-BLLLJJGKSA-N 1 0 311.341 3.095 20 5 DGBDRO Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)nc2ccc([N+](=O)[O-])cc12 ZINC001154974607 1088865175 /nfs/dbraw/zinc/86/51/75/1088865175.db2.gz FFZZVLFGDMQGJO-RYUDHWBXSA-N 1 0 300.362 3.133 20 5 DGBDRO O=[N+]([O-])c1ccc2ccc(NC[C@]3(F)CCCC[NH2+]C3)nc2c1 ZINC001155116684 1088955445 /nfs/dbraw/zinc/95/54/45/1088955445.db2.gz LQBFHZCHKMGVSK-INIZCTEOSA-N 1 0 318.352 3.037 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CCNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001160964806 1089047677 /nfs/dbraw/zinc/04/76/77/1089047677.db2.gz QKYFYPSAWXLADW-CYBMUJFWSA-N 1 0 300.362 3.039 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001155299212 1089055320 /nfs/dbraw/zinc/05/53/20/1089055320.db2.gz NTTMSMZYKRWTHS-AWEZNQCLSA-N 1 0 320.352 3.165 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(N[C@@]34CCC[C@@H]3[NH2+]CC4)nc12 ZINC001155402935 1089096063 /nfs/dbraw/zinc/09/60/63/1089096063.db2.gz YOKRMEZQNVCWSU-HNAYVOBHSA-N 1 0 304.397 3.480 20 5 DGBDRO [NH3+]CCc1cccc(Nc2ccc3ccc([N+](=O)[O-])cc3n2)c1 ZINC001161079275 1089110024 /nfs/dbraw/zinc/11/00/24/1089110024.db2.gz RIURFUJTMFOYSC-UHFFFAOYSA-N 1 0 308.341 3.388 20 5 DGBDRO C[C@@H](C[NH+](C)C)Nc1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001155916592 1089298444 /nfs/dbraw/zinc/29/84/44/1089298444.db2.gz OJGKPOGNBFFNAY-VIFPVBQESA-N 1 0 308.769 3.158 20 5 DGBDRO [NH3+][C@H]1CC[C@H](N(CC2CCCC2)c2cc([N+](=O)[O-])ccn2)CC1 ZINC001162186380 1089599704 /nfs/dbraw/zinc/59/97/04/1089599704.db2.gz LYSKDCMYAVEJNA-SHTZXODSSA-N 1 0 318.421 3.256 20 5 DGBDRO C[N@@H+]1CCC[C@](C)(Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001162336803 1089676942 /nfs/dbraw/zinc/67/69/42/1089676942.db2.gz HCNAUMVLPHDDTB-INIZCTEOSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001162455498 1089739276 /nfs/dbraw/zinc/73/92/76/1089739276.db2.gz TZPNBJZCFSQRAD-OLZOCXBDSA-N 1 0 314.389 3.191 20 5 DGBDRO O=[N+]([O-])c1c(NC[C@]2(F)CCCC[NH2+]C2)ccc2cnccc21 ZINC001162584042 1089807447 /nfs/dbraw/zinc/80/74/47/1089807447.db2.gz YBULWUBSMUVWRL-INIZCTEOSA-N 1 0 318.352 3.037 20 5 DGBDRO [NH3+]CCc1cn(-c2cccc([N+](=O)[O-])n2)c2cccc(Cl)c12 ZINC001162654382 1089861942 /nfs/dbraw/zinc/86/19/42/1089861942.db2.gz YNFYGYIENADGNB-UHFFFAOYSA-N 1 0 316.748 3.088 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(N2CCCC[C@]23CCC[NH2+]C3)nc1Cl ZINC001157472267 1089985764 /nfs/dbraw/zinc/98/57/64/1089985764.db2.gz VKDOSESBDCSECG-OAHLLOKOSA-N 1 0 324.812 3.064 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2cc3cccnc3c([N+](=O)[O-])c2)C1 ZINC001162849110 1089992103 /nfs/dbraw/zinc/99/21/03/1089992103.db2.gz KQKFPOXTDMLCCX-CQSZACIVSA-N 1 0 320.352 3.165 20 5 DGBDRO CC1([NH+]2CCCC2)CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001157657890 1090059351 /nfs/dbraw/zinc/05/93/51/1090059351.db2.gz PCMYOVKIGCGTBH-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO COc1c(F)cc(N[C@H]2C[NH2+]Cc3ccsc32)cc1[N+](=O)[O-] ZINC001163227853 1090125463 /nfs/dbraw/zinc/12/54/63/1090125463.db2.gz CYAVMJTZJUYGTE-NSHDSACASA-N 1 0 323.349 3.060 20 5 DGBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH+]3CCC2CC3)ccc1C(F)(F)F ZINC001163393129 1090172690 /nfs/dbraw/zinc/17/26/90/1090172690.db2.gz NCAKDUPJMLNULX-LBPRGKRZSA-N 1 0 315.295 3.120 20 5 DGBDRO C[C@@H](CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC001163404329 1090177985 /nfs/dbraw/zinc/17/79/85/1090177985.db2.gz RASHMZCSJMMUSM-VIFPVBQESA-N 1 0 305.300 3.223 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001164393808 1090419348 /nfs/dbraw/zinc/41/93/48/1090419348.db2.gz LDOLBKJHWHVYPP-CYBMUJFWSA-N 1 0 324.425 3.309 20 5 DGBDRO [NH3+]CCONc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001164428454 1090422483 /nfs/dbraw/zinc/42/24/83/1090422483.db2.gz DOSKGBNWRXLERN-UHFFFAOYSA-N 1 0 305.359 3.048 20 5 DGBDRO Clc1ccc2ccc3ccc(N4CCC[C@@H]5[NH2+]C[C@@H]54)nc3c2n1 ZINC001165391670 1090514523 /nfs/dbraw/zinc/51/45/23/1090514523.db2.gz IFEGQVBXZJPTIW-KBPBESRZSA-N 1 0 324.815 3.377 20 5 DGBDRO [NH3+]CC[C@H]1CN(c2cnc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC001168545628 1090527865 /nfs/dbraw/zinc/52/78/65/1090527865.db2.gz YKTOOHXDKHJJNB-JTQLQIEISA-N 1 0 318.764 3.227 20 5 DGBDRO [NH3+]CCc1nccn1-c1nc2c(ccc3ccccc32)nc1Cl ZINC001166350766 1090598058 /nfs/dbraw/zinc/59/80/58/1090598058.db2.gz ALRQYQREPJHMDA-UHFFFAOYSA-N 1 0 323.787 3.123 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001168600839 1090599008 /nfs/dbraw/zinc/59/90/08/1090599008.db2.gz FVVVFWKRULBIFA-GJZGRUSLSA-N 1 0 314.389 3.428 20 5 DGBDRO COc1c(F)cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001168600675 1090599361 /nfs/dbraw/zinc/59/93/61/1090599361.db2.gz ACGKJNJCZSKAIX-STQMWFEESA-N 1 0 311.357 3.027 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1N[C@H]1CCNc3ccccc31)C[NH2+]C2 ZINC001168644021 1090657209 /nfs/dbraw/zinc/65/72/09/1090657209.db2.gz GVWYOMWOMMRPPH-HNNXBMFYSA-N 1 0 310.357 3.167 20 5 DGBDRO C[N@@H+](Cc1ccc2ccc3cccc4ccc1c2c34)C[C@@H](O)CO ZINC001204001314 1090864432 /nfs/dbraw/zinc/86/44/32/1090864432.db2.gz FGZTUMFBYCQKGJ-GOSISDBHSA-N 1 0 319.404 3.369 20 5 DGBDRO CCOC(=O)CN(Cc1c(C)ccc([N+](=O)[O-])c1C)CC(C)C ZINC001204187469 1090917384 /nfs/dbraw/zinc/91/73/84/1090917384.db2.gz KMCYRTWJMPNCIC-UHFFFAOYSA-N 1 0 322.405 3.233 20 5 DGBDRO [NH3+][C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001205117340 1091106462 /nfs/dbraw/zinc/10/64/62/1091106462.db2.gz OHJPMPBQGBNNCB-MRXNPFEDSA-N 1 0 306.413 3.096 20 5 DGBDRO Cc1ccc2c(ccnc2NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001168763412 1091368713 /nfs/dbraw/zinc/36/87/13/1091368713.db2.gz GIUFBHCWOUQLGB-UHFFFAOYSA-N 1 0 316.405 3.451 20 5 DGBDRO C[NH+](C)CCOc1ccc(Nc2ccccc2[N+](=O)[O-])cc1 ZINC001206164907 1091517027 /nfs/dbraw/zinc/51/70/27/1091517027.db2.gz UIGUXPSCAYSREC-UHFFFAOYSA-N 1 0 301.346 3.279 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001168767059 1091707867 /nfs/dbraw/zinc/70/78/67/1091707867.db2.gz ZYNPIPDERNTIPP-UHFFFAOYSA-N 1 0 320.368 3.282 20 5 DGBDRO CN1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CC1=O ZINC001141723398 1092323887 /nfs/dbraw/zinc/32/38/87/1092323887.db2.gz WNPSCGSTCKQOLU-UHFFFAOYSA-N 1 0 304.393 3.267 20 5 DGBDRO COc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC2)cc1 ZINC001168977663 1092456992 /nfs/dbraw/zinc/45/69/92/1092456992.db2.gz LBKMKYUDEMIZKF-ISTRZQFTSA-N 1 0 304.390 3.181 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2c(F)cccc2Cl)C1 ZINC001168958218 1092462658 /nfs/dbraw/zinc/46/26/58/1092462658.db2.gz LNZGJQPPSXLPTL-MNOVXSKESA-N 1 0 300.761 3.057 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC001168961616 1092464111 /nfs/dbraw/zinc/46/41/11/1092464111.db2.gz JDYNJJZRMJLZNH-IUCAKERBSA-N 1 0 304.724 3.153 20 5 DGBDRO Cc1ccc(Cl)c(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1F ZINC001168963951 1092466119 /nfs/dbraw/zinc/46/61/19/1092466119.db2.gz QVRSPTSSIZNFBX-MNOVXSKESA-N 1 0 300.761 3.323 20 5 DGBDRO [NH3+]CCc1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccc(Cl)cc12 ZINC001168967133 1092468395 /nfs/dbraw/zinc/46/83/95/1092468395.db2.gz NPKVOMRRVWKFCK-RISCZKNCSA-N 1 0 321.808 3.414 20 5 DGBDRO [NH3+]CCc1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccc(Cl)cc12 ZINC001168967131 1092468944 /nfs/dbraw/zinc/46/89/44/1092468944.db2.gz NPKVOMRRVWKFCK-BXUZGUMPSA-N 1 0 321.808 3.414 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001168970444 1092470112 /nfs/dbraw/zinc/47/01/12/1092470112.db2.gz HPMHIUVZYGADKL-CABZTGNLSA-N 1 0 320.286 3.380 20 5 DGBDRO CCc1cc2c(cc1CC)CC([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168995686 1092476843 /nfs/dbraw/zinc/47/68/43/1092476843.db2.gz SPDVKHJZKFUHJK-UGSOOPFHSA-N 1 0 316.445 3.314 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3F)CC2)C1 ZINC001168998353 1092478846 /nfs/dbraw/zinc/47/88/46/1092478846.db2.gz LPAJTOYXTIPNMC-UKRRQHHQSA-N 1 0 306.381 3.183 20 5 DGBDRO [NH3+]CCc1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2cc(Cl)ccc12 ZINC001168998862 1092478931 /nfs/dbraw/zinc/47/89/31/1092478931.db2.gz QRCANDMUBVEQTP-FZMZJTMJSA-N 1 0 321.808 3.414 20 5 DGBDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ccc(F)cc1 ZINC001168998503 1092479341 /nfs/dbraw/zinc/47/93/41/1092479341.db2.gz NUGUCKQFYWESFI-GDBMZVCRSA-N 1 0 308.397 3.429 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)C1 ZINC001169001151 1092481314 /nfs/dbraw/zinc/48/13/14/1092481314.db2.gz CVVROUWFGITWNG-XAGWURHQSA-N 1 0 310.344 3.377 20 5 DGBDRO COc1ccc(CC(C)(C)C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169000676 1092481524 /nfs/dbraw/zinc/48/15/24/1092481524.db2.gz YRPUUMWCXULHQI-CVEARBPZSA-N 1 0 320.433 3.299 20 5 DGBDRO COc1cccc([C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC2)c1 ZINC001169004900 1092482919 /nfs/dbraw/zinc/48/29/19/1092482919.db2.gz RSVKYLAQYSPJMB-YLQAJVPDSA-N 1 0 304.390 3.181 20 5 DGBDRO Cc1ccccc1OC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006363 1092485005 /nfs/dbraw/zinc/48/50/05/1092485005.db2.gz GXNHARXBRARTOK-JKSUJKDBSA-N 1 0 318.417 3.284 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001169006237 1092485042 /nfs/dbraw/zinc/48/50/42/1092485042.db2.gz GJAKCXYEPQXBAW-ROUUACIJSA-N 1 0 302.418 3.387 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)C1 ZINC001169006166 1092486226 /nfs/dbraw/zinc/48/62/26/1092486226.db2.gz FNPLZQBTRBWJGL-YUMQZZPRSA-N 1 0 322.249 3.152 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)C1 ZINC001169010228 1092487283 /nfs/dbraw/zinc/48/72/83/1092487283.db2.gz BMCRWXKHYHIAAX-RDJZCZTQSA-N 1 0 312.413 3.492 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC3CCC3)c2)C1 ZINC001168990210 1092492078 /nfs/dbraw/zinc/49/20/78/1092492078.db2.gz YHDRHHMFILQCAQ-SJORKVTESA-N 1 0 318.417 3.401 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccccc2C(F)(F)F)C1 ZINC001168989900 1092492298 /nfs/dbraw/zinc/49/22/98/1092492298.db2.gz XQYHSMTYVXBYQM-AAEUAGOBSA-N 1 0 316.323 3.283 20 5 DGBDRO C[NH2+]Cc1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccc(C)cc12 ZINC001169039994 1092500640 /nfs/dbraw/zinc/50/06/40/1092500640.db2.gz WQOLLOKFQOJDHB-DZGCQCFKSA-N 1 0 301.390 3.287 20 5 DGBDRO COc1cccc([C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169040925 1092500663 /nfs/dbraw/zinc/50/06/63/1092500663.db2.gz ADNLMPNXSYMMJI-USXIJHARSA-N 1 0 318.417 3.320 20 5 DGBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038328 1092502174 /nfs/dbraw/zinc/50/21/74/1092502174.db2.gz YCZXWGJLALXMHQ-YCPHGPKFSA-N 1 0 304.390 3.278 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC001169025503 1092506169 /nfs/dbraw/zinc/50/61/69/1092506169.db2.gz JSAWOWQTBOOQMR-DZGCQCFKSA-N 1 0 322.380 3.114 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(COc3ccccc3)CC2)C1 ZINC001169026361 1092507239 /nfs/dbraw/zinc/50/72/39/1092507239.db2.gz LHZSGUYEQUJLBW-IRXDYDNUSA-N 1 0 318.417 3.223 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC001169026985 1092508350 /nfs/dbraw/zinc/50/83/50/1092508350.db2.gz OQKMRIODWADFCW-DLBZAZTESA-N 1 0 318.417 3.113 20 5 DGBDRO C[NH+](C)CCc1ccc(Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001209937353 1092988836 /nfs/dbraw/zinc/98/88/36/1092988836.db2.gz BJKJNWNVXAIHNF-UHFFFAOYSA-N 1 0 300.362 3.025 20 5 DGBDRO CC(C)([NH2+]Cc1cn2ccnc2s1)c1ccc([N+](=O)[O-])cc1 ZINC001120039893 1094359372 /nfs/dbraw/zinc/35/93/72/1094359372.db2.gz NEKYLISYQXYXNS-UHFFFAOYSA-N 1 0 316.386 3.329 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](OC[C@H]2CCC[NH2+]C2)C(F)(F)F)cc1 ZINC001217916249 1094517168 /nfs/dbraw/zinc/51/71/68/1094517168.db2.gz DLQJWLWKHLEKCM-GWCFXTLKSA-N 1 0 318.295 3.214 20 5 DGBDRO Cc1cc(O[C@H]2CCC[NH2+]C[C@H]2F)c([N+](=O)[O-])cc1Cl ZINC001217948246 1094525896 /nfs/dbraw/zinc/52/58/96/1094525896.db2.gz LTYDBCGJISCXJJ-PWSUYJOCSA-N 1 0 302.733 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217947231 1094525960 /nfs/dbraw/zinc/52/59/60/1094525960.db2.gz QUDQAOOSHUGPOV-DZGCQCFKSA-N 1 0 304.321 3.217 20 5 DGBDRO F[C@@H]1CCC[NH2+]C[C@H]1Oc1ccnc2c1ccc1cccnc12 ZINC001217984862 1094542984 /nfs/dbraw/zinc/54/29/84/1094542984.db2.gz NVHYDPNXUHNIDC-GDBMZVCRSA-N 1 0 311.360 3.252 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001217989703 1094545923 /nfs/dbraw/zinc/54/59/23/1094545923.db2.gz SXWXJZWOEMKMMW-BXKDBHETSA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001217990764 1094546996 /nfs/dbraw/zinc/54/69/96/1094546996.db2.gz WBSNYOWOKPOBKQ-BXKDBHETSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]CC2)cc1C(F)(F)F ZINC001217997074 1094549949 /nfs/dbraw/zinc/54/99/49/1094549949.db2.gz YADFIFRBGSFWSY-SECBINFHSA-N 1 0 304.268 3.135 20 5 DGBDRO C[C@@H](Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001218004680 1094552947 /nfs/dbraw/zinc/55/29/47/1094552947.db2.gz GDNXZQNYHAFFAF-SECBINFHSA-N 1 0 318.295 3.381 20 5 DGBDRO CC(C)(C)c1ccc(O[C@H]2CC[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001218013489 1094558829 /nfs/dbraw/zinc/55/88/29/1094558829.db2.gz RPOKXRHNBJUXQP-OCCSQVGLSA-N 1 0 310.369 3.361 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]CC[C@H]2F)ccc1C(F)(F)F ZINC001218013584 1094559753 /nfs/dbraw/zinc/55/97/53/1094559753.db2.gz BYMRJZBORYGTNM-PWSUYJOCSA-N 1 0 322.258 3.083 20 5 DGBDRO F[C@H]1CC[NH2+]CC[C@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001218014633 1094560205 /nfs/dbraw/zinc/56/02/05/1094560205.db2.gz HKOVMNUBRWUJPP-SCLBCKFNSA-N 1 0 311.360 3.252 20 5 DGBDRO F[C@H]1CC[NH2+]CC[C@H]1Oc1cccc2nc3ccccc3nc21 ZINC001218015181 1094560956 /nfs/dbraw/zinc/56/09/56/1094560956.db2.gz JVNJMMSTPMWVNQ-BLLLJJGKSA-N 1 0 311.360 3.252 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[NH2+]CC[C@@H]2F)cc(C(F)(F)F)c1 ZINC001218016505 1094561851 /nfs/dbraw/zinc/56/18/51/1094561851.db2.gz FFGBNXJBIUOEGD-NWDGAFQWSA-N 1 0 322.258 3.083 20 5 DGBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4C[NH2+]CCOC4)c3c2n1 ZINC001218047572 1094575698 /nfs/dbraw/zinc/57/56/98/1094575698.db2.gz UGARQQCISRQJLN-INIZCTEOSA-N 1 0 322.408 3.372 20 5 DGBDRO C[C@H]1C[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC001218062807 1094580998 /nfs/dbraw/zinc/58/09/98/1094580998.db2.gz WNVLQWXZWUTVBZ-KWQFWETISA-N 1 0 304.268 3.133 20 5 DGBDRO C[C@@H]1C[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC001218062806 1094581150 /nfs/dbraw/zinc/58/11/50/1094581150.db2.gz WNVLQWXZWUTVBZ-KCJUWKMLSA-N 1 0 304.268 3.133 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3CC[NH2+]C[C@@H]3F)cc2)c1 ZINC001218068664 1094585747 /nfs/dbraw/zinc/58/57/47/1094585747.db2.gz FNXIQHADAAOAPO-IRXDYDNUSA-N 1 0 316.332 3.341 20 5 DGBDRO Cc1cc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Cl ZINC001218097279 1094601142 /nfs/dbraw/zinc/60/11/42/1094601142.db2.gz SLOGFEYIJBRYKU-CABCVRRESA-N 1 0 310.781 3.468 20 5 DGBDRO c1ccc2nc3cc(O[C@@H]4CC[C@]45CC[NH2+]C5)ccc3nc2c1 ZINC001218115314 1094613665 /nfs/dbraw/zinc/61/36/65/1094613665.db2.gz FYHCBROGYYCZNY-RTBURBONSA-N 1 0 305.381 3.304 20 5 DGBDRO c1ccc2nc3cc(O[C@@H]4CC[C@@]45CC[NH2+]C5)ccc3nc2c1 ZINC001218115307 1094613704 /nfs/dbraw/zinc/61/37/04/1094613704.db2.gz FYHCBROGYYCZNY-MOPGFXCFSA-N 1 0 305.381 3.304 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[C@]23CC[NH2+]C3)c(Cl)cc1Cl ZINC001218118425 1094616653 /nfs/dbraw/zinc/61/66/53/1094616653.db2.gz VRNJDEIEWJUPDR-QWHCGFSZSA-N 1 0 317.172 3.423 20 5 DGBDRO c1ccc2c(c1)nc(O[C@H]1CCO[C@]13CC[NH2+]C3)c1ccccc21 ZINC001218136523 1094625884 /nfs/dbraw/zinc/62/58/84/1094625884.db2.gz WKAOXCVAAHWATB-ICSRJNTNSA-N 1 0 320.392 3.288 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218144561 1094631494 /nfs/dbraw/zinc/63/14/94/1094631494.db2.gz LYNKEWCRFPECSX-VYUIOLGVSA-N 1 0 314.744 3.154 20 5 DGBDRO c1ccc2nc3cc(O[C@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)ccc3nc2c1 ZINC001218186103 1094648468 /nfs/dbraw/zinc/64/84/68/1094648468.db2.gz LRFRRFTYMTUSJD-NHAGDIPZSA-N 1 0 305.381 3.445 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1C[C@H]2[NH2+]CC[C@H]2C1 ZINC001218249701 1094680377 /nfs/dbraw/zinc/68/03/77/1094680377.db2.gz YXVKXFOJDAXUOK-VAOFZXAKSA-N 1 0 317.172 3.421 20 5 DGBDRO CCC(CC)(CC)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001135825612 1094697113 /nfs/dbraw/zinc/69/71/13/1094697113.db2.gz AAEJYWSKWLUMCA-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001336721651 1094709994 /nfs/dbraw/zinc/70/99/94/1094709994.db2.gz NIRFAYRULRBOEW-YOEHRIQHSA-N 1 0 304.390 3.213 20 5 DGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001218313935 1094710641 /nfs/dbraw/zinc/71/06/41/1094710641.db2.gz FEASPQMNJLGFCG-NSHDSACASA-N 1 0 318.295 3.381 20 5 DGBDRO C[C@H]1CC[C@@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218407396 1094758083 /nfs/dbraw/zinc/75/80/83/1094758083.db2.gz MAZPRNLUWSTNHP-DZGCQCFKSA-N 1 0 319.405 3.104 20 5 DGBDRO Cc1cc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])s1 ZINC001336874529 1094768276 /nfs/dbraw/zinc/76/82/76/1094768276.db2.gz UJRPCDHEQDZHOK-XQQFMLRXSA-N 1 0 309.435 3.131 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3[C@@H]4CC[C@H]3[NH2+]C4)cc2)c1 ZINC001218444718 1094778185 /nfs/dbraw/zinc/77/81/85/1094778185.db2.gz LKIHBYQYEDRHQD-ZTFGCOKTSA-N 1 0 310.353 3.391 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1Cl ZINC001218444278 1094779067 /nfs/dbraw/zinc/77/90/67/1094779067.db2.gz JOOJFHYHLQUTDN-JSTDYGSISA-N 1 0 303.145 3.031 20 5 DGBDRO c1ccc2nc3cc(O[C@@H]4CC[C@H]5C[NH2+]C[C@H]54)ccc3nc2c1 ZINC001218458561 1094787512 /nfs/dbraw/zinc/78/75/12/1094787512.db2.gz BUCIXVWQKSZGEO-BBEJJTJUSA-N 1 0 305.381 3.160 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c(Cl)c1Cl ZINC001218461522 1094789701 /nfs/dbraw/zinc/78/97/01/1094789701.db2.gz SHVPVYRKEUWCKK-OYNCUSHFSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC001218474285 1094796719 /nfs/dbraw/zinc/79/67/19/1094796719.db2.gz UPYNVRDJJSMQLI-JOAULVNJSA-N 1 0 317.172 3.278 20 5 DGBDRO CC1(C)C[C@@H](Oc2nccc3c2cccc3[N+](=O)[O-])CC[NH2+]1 ZINC001218478973 1094802467 /nfs/dbraw/zinc/80/24/67/1094802467.db2.gz QRYGRDCUVCTPGW-NSHDSACASA-N 1 0 301.346 3.052 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218487156 1094812557 /nfs/dbraw/zinc/81/25/57/1094812557.db2.gz MZQVOWXCKWIMJN-AWEZNQCLSA-N 1 0 304.733 3.472 20 5 DGBDRO O=[N+]([O-])c1cc2cccnc2c(O[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC001218488114 1094814954 /nfs/dbraw/zinc/81/49/54/1094814954.db2.gz LNIVTXBGUXALLY-QGZVFWFLSA-N 1 0 321.336 3.366 20 5 DGBDRO Cc1cc(F)c(O[C@@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC001218492976 1094820357 /nfs/dbraw/zinc/82/03/57/1094820357.db2.gz FVQAGUWAEQEDTE-MRXNPFEDSA-N 1 0 302.305 3.266 20 5 DGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001337066209 1094839446 /nfs/dbraw/zinc/83/94/46/1094839446.db2.gz FUWDCYIONANMSX-BDJLRTHQSA-N 1 0 312.373 3.038 20 5 DGBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001218979112 1094917382 /nfs/dbraw/zinc/91/73/82/1094917382.db2.gz HTNGCOUOHRHPHT-MLGOLLRUSA-N 1 0 320.396 3.110 20 5 DGBDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc2ccccc2c2cccnc12 ZINC001122305254 1094950573 /nfs/dbraw/zinc/95/05/73/1094950573.db2.gz WTHNHJSZPCJBAS-JEBQAFNWSA-N 1 0 317.392 3.011 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001337406380 1094964373 /nfs/dbraw/zinc/96/43/73/1094964373.db2.gz BXMAUPJFQKIZSX-GJZGRUSLSA-N 1 0 304.390 3.486 20 5 DGBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC001116145497 1095469729 /nfs/dbraw/zinc/46/97/29/1095469729.db2.gz GYXNVBVPBLSIGL-OCCSQVGLSA-N 1 0 320.418 3.118 20 5 DGBDRO O=[N+]([O-])c1ccccc1CO[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001222760982 1095743958 /nfs/dbraw/zinc/74/39/58/1095743958.db2.gz ACZCQQAMEPCJSV-KRWDZBQOSA-N 1 0 312.369 3.386 20 5 DGBDRO C[NH+](C)C1CCC(OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001222930209 1095793684 /nfs/dbraw/zinc/79/36/84/1095793684.db2.gz VXIHDLBXTBHQRD-UHFFFAOYSA-N 1 0 319.361 3.125 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC001118516747 1096025990 /nfs/dbraw/zinc/02/59/90/1096025990.db2.gz LEHJYLUELYICAT-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001171286873 1096113801 /nfs/dbraw/zinc/11/38/01/1096113801.db2.gz LXRNMMLSUNHXGK-KGLIPLIRSA-N 1 0 322.405 3.397 20 5 DGBDRO O=C(NCCC[NH2+]C1CC1)c1cc2ccccc2c2cccnc12 ZINC001341167499 1096128028 /nfs/dbraw/zinc/12/80/28/1096128028.db2.gz QALOUVMIDNOSRV-UHFFFAOYSA-N 1 0 319.408 3.260 20 5 DGBDRO C[NH+]1C(C)(C)CC(OCc2ccc([N+](=O)[O-])nc2)CC1(C)C ZINC001224116193 1096137789 /nfs/dbraw/zinc/13/77/89/1096137789.db2.gz YVEIJGKPCXJVQP-UHFFFAOYSA-N 1 0 307.394 3.158 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)OCc1ccccc1C(=O)OC(C)(C)C ZINC001224189441 1096157208 /nfs/dbraw/zinc/15/72/08/1096157208.db2.gz JFTXSXMTHRTMMC-AWEZNQCLSA-N 1 0 308.442 3.253 20 5 DGBDRO C[N+](C)(C)CCCO[C@H]1Cc2ccc(Br)cc2C1 ZINC001224618847 1096247332 /nfs/dbraw/zinc/24/73/32/1096247332.db2.gz IXZDUFIOLZMBCK-HNNXBMFYSA-N 1 0 313.259 3.029 20 5 DGBDRO CC(=O)c1ccc(Br)cc1O[C@@H](C)C[N+](C)(C)C ZINC001225391055 1096416748 /nfs/dbraw/zinc/41/67/48/1096416748.db2.gz PWCCHUROJKDQRG-JTQLQIEISA-N 1 0 315.231 3.125 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2c(Cl)nccc2[N+](=O)[O-])CC1 ZINC001225435178 1096430743 /nfs/dbraw/zinc/43/07/43/1096430743.db2.gz PQGYQDYJQDAAQA-UHFFFAOYSA-N 1 0 313.785 3.285 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001225601040 1096479278 /nfs/dbraw/zinc/47/92/78/1096479278.db2.gz MBDPVVAQQHGDHP-LBPRGKRZSA-N 1 0 323.349 3.063 20 5 DGBDRO C[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001225914108 1096562470 /nfs/dbraw/zinc/56/24/70/1096562470.db2.gz NQFUJHMUFVLWKJ-UHFFFAOYSA-N 1 0 304.268 3.087 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225919163 1096564926 /nfs/dbraw/zinc/56/49/26/1096564926.db2.gz QLYFTZXHIKQJIN-LLVKDONJSA-N 1 0 318.295 3.477 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC001225942328 1096570200 /nfs/dbraw/zinc/57/02/00/1096570200.db2.gz QAFOIRVLJNKVDP-UHFFFAOYSA-N 1 0 317.320 3.177 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc([N+](=O)[O-])c(F)cc1Cl)C2 ZINC001226195442 1096634933 /nfs/dbraw/zinc/63/49/33/1096634933.db2.gz IFKLQRNJAYPINW-ILWJIGKKSA-N 1 0 314.744 3.391 20 5 DGBDRO CC[NH+]1CCC(Oc2cc([N+](=O)[O-])c(F)cc2Cl)CC1 ZINC001226195578 1096634938 /nfs/dbraw/zinc/63/49/38/1096634938.db2.gz LTEDBDITQJUQBE-UHFFFAOYSA-N 1 0 302.733 3.250 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)CC1 ZINC001226196869 1096636025 /nfs/dbraw/zinc/63/60/25/1096636025.db2.gz VXIGOWHRVRKRDB-SECBINFHSA-N 1 0 302.733 3.250 20 5 DGBDRO CC(=O)c1ccc(OC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001226292677 1096654587 /nfs/dbraw/zinc/65/45/87/1096654587.db2.gz PPWLMZMGZNPMGA-UHFFFAOYSA-N 1 0 306.362 3.049 20 5 DGBDRO CC(=O)c1ccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001226292676 1096654608 /nfs/dbraw/zinc/65/46/08/1096654608.db2.gz PPWLMZMGZNPMGA-HDJSIYSDSA-N 1 0 306.362 3.049 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001226301994 1096656468 /nfs/dbraw/zinc/65/64/68/1096656468.db2.gz TUYUZZQBTORLMI-LLVKDONJSA-N 1 0 318.295 3.477 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001226532659 1096715923 /nfs/dbraw/zinc/71/59/23/1096715923.db2.gz WCAZYYZARYVMSG-AWEZNQCLSA-N 1 0 306.362 3.049 20 5 DGBDRO C[NH+]1C(C)(C)CC(Oc2ncc(F)cc2[N+](=O)[O-])CC1(C)C ZINC001226752259 1096767810 /nfs/dbraw/zinc/76/78/10/1096767810.db2.gz ZHUXSOAEXKKUSO-UHFFFAOYSA-N 1 0 311.357 3.159 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc([N+](=O)[O-])cc1Cl ZINC001226761565 1096769790 /nfs/dbraw/zinc/76/97/90/1096769790.db2.gz WZWKKPNAKQMIRA-HBYGRHMLSA-N 1 0 310.781 3.357 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc([N+](=O)[O-])ccc1Cl ZINC001226804428 1096782575 /nfs/dbraw/zinc/78/25/75/1096782575.db2.gz KDFIGZYIPSFIDI-HBYGRHMLSA-N 1 0 310.781 3.357 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH+]3CCC2CC3)ccc1C(F)(F)F ZINC001226965145 1096829657 /nfs/dbraw/zinc/82/96/57/1096829657.db2.gz WNNXCVUNGVIDKX-CYBMUJFWSA-N 1 0 316.279 3.087 20 5 DGBDRO [NH3+]Cc1nccnc1Nc1nc2ccccc2c2ccccc21 ZINC001171449227 1096864139 /nfs/dbraw/zinc/86/41/39/1096864139.db2.gz QYNWJWGMJWXKJI-UHFFFAOYSA-N 1 0 301.353 3.380 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001227153745 1096881721 /nfs/dbraw/zinc/88/17/21/1096881721.db2.gz MFFSDOLXSRZEGN-SECBINFHSA-N 1 0 304.749 3.496 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC001171538374 1096910646 /nfs/dbraw/zinc/91/06/46/1096910646.db2.gz IQXIYUJWMSXFRE-SFHVURJKSA-N 1 0 312.369 3.291 20 5 DGBDRO CC(C)c1cccc(C(C)C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227325729 1096916529 /nfs/dbraw/zinc/91/65/29/1096916529.db2.gz MWAZBYCTGDWTCE-OAHLLOKOSA-N 1 0 322.469 3.296 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC001228136190 1097060825 /nfs/dbraw/zinc/06/08/25/1097060825.db2.gz QOXNSLHYDRWKGA-CLLJXQQHSA-N 1 0 313.357 3.147 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(C(=O)c2ccccc2)ccc1O ZINC001228155283 1097064501 /nfs/dbraw/zinc/06/45/01/1097064501.db2.gz RITBDVHVQMCGTK-CQSZACIVSA-O 1 0 314.405 3.097 20 5 DGBDRO O=c1c2ccccc2oc2cc(O[C@H]3C[NH+]4CCC3CC4)ccc21 ZINC001228184331 1097069173 /nfs/dbraw/zinc/06/91/73/1097069173.db2.gz SDIJQWOEKZYFRI-IBGZPJMESA-N 1 0 321.376 3.419 20 5 DGBDRO Cc1c(F)c(Br)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001228328984 1097099416 /nfs/dbraw/zinc/09/94/16/1097099416.db2.gz UEZOXZIEDQMSKZ-VIFPVBQESA-N 1 0 305.211 3.370 20 5 DGBDRO COC(=O)c1cc2oc(C)cc2c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001228693235 1097169904 /nfs/dbraw/zinc/16/99/04/1097169904.db2.gz IXDIIEYHUSEHRS-LBPRGKRZSA-N 1 0 306.382 3.001 20 5 DGBDRO COC(=O)c1cc2sccc2c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001228794524 1097192137 /nfs/dbraw/zinc/19/21/37/1097192137.db2.gz CGJYOOOFVNNDSA-NSHDSACASA-N 1 0 308.423 3.161 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1noc2ccc(Br)cc21 ZINC001228793634 1097192352 /nfs/dbraw/zinc/19/23/52/1097192352.db2.gz ZCJJZWNAMLRCQP-SECBINFHSA-N 1 0 314.203 3.064 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001228916450 1097217533 /nfs/dbraw/zinc/21/75/33/1097217533.db2.gz RMBDUMJBUNRTEX-UHFFFAOYSA-N 1 0 313.357 3.346 20 5 DGBDRO Cc1cccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172896884 1097266066 /nfs/dbraw/zinc/26/60/66/1097266066.db2.gz TVHOZAMGUAMKGO-INIZCTEOSA-N 1 0 311.385 3.335 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1ccccn1)CC2 ZINC001172899143 1097267155 /nfs/dbraw/zinc/26/71/55/1097267155.db2.gz ULRYTTCEMYSHKK-QGZVFWFLSA-N 1 0 311.385 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]COc1ccccc1)CC2 ZINC001172902981 1097268039 /nfs/dbraw/zinc/26/80/39/1097268039.db2.gz ODIBJYNDSLENLD-INIZCTEOSA-N 1 0 312.369 3.468 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H]3C[C@@H]3[C@@H](F)C1)CC2 ZINC001172902414 1097268325 /nfs/dbraw/zinc/26/83/25/1097268325.db2.gz BGXXFDSNVBRFMJ-FSDCSDTHSA-N 1 0 304.365 3.132 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@H]3[C@H](CC3(F)F)C1)CC2 ZINC001172903987 1097269447 /nfs/dbraw/zinc/26/94/47/1097269447.db2.gz KSDSWPACPAQGRO-YCPHGPKFSA-N 1 0 322.355 3.429 20 5 DGBDRO Cc1cc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)ccn1 ZINC001172895285 1097278358 /nfs/dbraw/zinc/27/83/58/1097278358.db2.gz BOLABCMJLGWRTE-QGZVFWFLSA-N 1 0 311.385 3.335 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCc3ccncc3C1)CC2 ZINC001172915259 1097278973 /nfs/dbraw/zinc/27/89/73/1097278973.db2.gz MTEYXWMKTOCPRT-GOSISDBHSA-N 1 0 323.396 3.296 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@]3(CCO3)C1)CC2 ZINC001172915257 1097279135 /nfs/dbraw/zinc/27/91/35/1097279135.db2.gz MSCAGJOUPWQFKU-SJLPKXTDSA-N 1 0 316.401 3.097 20 5 DGBDRO CC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920028 1097280775 /nfs/dbraw/zinc/28/07/75/1097280775.db2.gz HUMOZLIOURBIHE-DLBZAZTESA-N 1 0 316.401 3.143 20 5 DGBDRO CC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920029 1097281150 /nfs/dbraw/zinc/28/11/50/1097281150.db2.gz HUMOZLIOURBIHE-IAGOWNOFSA-N 1 0 316.401 3.143 20 5 DGBDRO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc3cccnc32)CC1 ZINC001229344401 1097301379 /nfs/dbraw/zinc/30/13/79/1097301379.db2.gz YFVVVHCWSVMXBK-AWEZNQCLSA-N 1 0 301.346 3.006 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229344262 1097301581 /nfs/dbraw/zinc/30/15/81/1097301581.db2.gz VBJUGXGQEDEJGF-AWEZNQCLSA-N 1 0 301.346 3.006 20 5 DGBDRO C[NH+](C)CC[C@@H](Oc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC001229395484 1097311936 /nfs/dbraw/zinc/31/19/36/1097311936.db2.gz IPOIMTGFZGVWGR-MRXNPFEDSA-N 1 0 316.357 3.372 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2CC(C)C2)c1F ZINC001173175571 1097356121 /nfs/dbraw/zinc/35/61/21/1097356121.db2.gz PLKDMWMDQCJAKE-CXQJBGSLSA-N 1 0 310.369 3.309 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1F ZINC001173180117 1097356669 /nfs/dbraw/zinc/35/66/69/1097356669.db2.gz IMGMOMHLQBIVIL-RWMBFGLXSA-N 1 0 322.380 3.405 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC23CCC3)c1F ZINC001173182242 1097357105 /nfs/dbraw/zinc/35/71/05/1097357105.db2.gz RBELFAXDDDZWKT-HZMBPMFUSA-N 1 0 308.353 3.206 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[Si](C)(C)C)c1F ZINC001173192810 1097357836 /nfs/dbraw/zinc/35/78/36/1097357836.db2.gz RFNJOQDAQFQFCB-JTQLQIEISA-N 1 0 314.433 3.141 20 5 DGBDRO Cc1cccnc1CCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216113 1097367853 /nfs/dbraw/zinc/36/78/53/1097367853.db2.gz KMDIRGGJBFYKOL-OAHLLOKOSA-N 1 0 313.401 3.452 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccccc2)COC1 ZINC001173219153 1097370109 /nfs/dbraw/zinc/37/01/09/1097370109.db2.gz XPOLUOIEIXFIHV-CQSZACIVSA-N 1 0 312.369 3.041 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC001173219601 1097370545 /nfs/dbraw/zinc/37/05/45/1097370545.db2.gz DTRDVXWKCVQFGJ-KGLIPLIRSA-N 1 0 314.385 3.452 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](C)(O)[C@H](C)C1 ZINC001173221669 1097372247 /nfs/dbraw/zinc/37/22/47/1097372247.db2.gz LFJBQJLDOGSVAW-CKEIUWERSA-N 1 0 306.406 3.009 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001173222598 1097372826 /nfs/dbraw/zinc/37/28/26/1097372826.db2.gz XEZXRIJNVFIAGE-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO CCOC(=O)CC(C)(C)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173221989 1097373061 /nfs/dbraw/zinc/37/30/61/1097373061.db2.gz RONIAKFXXPOLBX-ZDUSSCGKSA-N 1 0 322.405 3.095 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001173223023 1097373085 /nfs/dbraw/zinc/37/30/85/1097373085.db2.gz WJYUYZJAZVRIIZ-YSVLISHTSA-N 1 0 304.390 3.027 20 5 DGBDRO Cc1cccc([C@@H](CO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173226950 1097375123 /nfs/dbraw/zinc/37/51/23/1097375123.db2.gz DXBQALXLMWAHAX-RDTXWAMCSA-N 1 0 314.385 3.157 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)CC1CCCCC1 ZINC001173235282 1097378060 /nfs/dbraw/zinc/37/80/60/1097378060.db2.gz SAYXBFVPJDNQFL-PBHICJAKSA-N 1 0 320.433 3.447 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC([N@H+](C)C2CC2)CC1 ZINC001173233662 1097378193 /nfs/dbraw/zinc/37/81/93/1097378193.db2.gz XWPHJERGHVQBOK-AWEZNQCLSA-N 1 0 317.433 3.084 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c2ccccc2nc1C[NH3+] ZINC001173209622 1097380454 /nfs/dbraw/zinc/38/04/54/1097380454.db2.gz DOPBGVAQTJBASY-GFCCVEGCSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1ccccc1F ZINC001173213794 1097381242 /nfs/dbraw/zinc/38/12/42/1097381242.db2.gz KMIKIIPNYMQMSF-CYBMUJFWSA-N 1 0 318.348 3.334 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1(O)CCCCC1 ZINC001173214245 1097381681 /nfs/dbraw/zinc/38/16/81/1097381681.db2.gz NUBNWLOAJNIHHQ-CQSZACIVSA-N 1 0 306.406 3.201 20 5 DGBDRO Cc1cccc(Oc2cnc(O[C@H](C)C[N+](C)(C)C)nc2)c1 ZINC001229813124 1097391023 /nfs/dbraw/zinc/39/10/23/1097391023.db2.gz FOYKGIVYOJJTGW-CQSZACIVSA-N 1 0 302.398 3.051 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1Cc1ccc(O)cc1 ZINC001231217522 1097696983 /nfs/dbraw/zinc/69/69/83/1097696983.db2.gz CLVSOSIYMJHQMG-OAHLLOKOSA-O 1 0 300.422 3.457 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCC4(COC4)C3)nc12 ZINC001232217902 1097970309 /nfs/dbraw/zinc/97/03/09/1097970309.db2.gz BTWBQEGKIBERHD-UHFFFAOYSA-N 1 0 305.381 3.005 20 5 DGBDRO O[C@@H]1CCCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219147 1097971669 /nfs/dbraw/zinc/97/16/69/1097971669.db2.gz RUTAZKLKQPYFRC-QGZVFWFLSA-N 1 0 307.397 3.130 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(CN3CC[NH+](C4CC4)CC3)nc12 ZINC001232218904 1097972283 /nfs/dbraw/zinc/97/22/83/1097972283.db2.gz PBBMLQXSFMXEOS-UHFFFAOYSA-N 1 0 318.424 3.063 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(CN3CC([NH+]4CCCC4)C3)nc12 ZINC001232222676 1097972618 /nfs/dbraw/zinc/97/26/18/1097972618.db2.gz WTTNYRAKKJCCEC-UHFFFAOYSA-N 1 0 318.424 3.063 20 5 DGBDRO COc1ccc(Nc2ccc3c(c2)C[N@@H+](C)CC3)cc1[N+](=O)[O-] ZINC001176366076 1098333313 /nfs/dbraw/zinc/33/33/13/1098333313.db2.gz NOBSQBYCSURJSX-UHFFFAOYSA-N 1 0 313.357 3.335 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC001176639902 1098396083 /nfs/dbraw/zinc/39/60/83/1098396083.db2.gz JXCITUKQNHEBMO-OAHLLOKOSA-N 1 0 322.430 3.321 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)CC1 ZINC001233753028 1098422283 /nfs/dbraw/zinc/42/22/83/1098422283.db2.gz INMOLWUIZAFEQW-MGCOHNPYSA-N 1 0 300.305 3.125 20 5 DGBDRO CC[NH+]1CCC(Oc2c3cccnc3ccc2[N+](=O)[O-])CC1 ZINC001233778908 1098430085 /nfs/dbraw/zinc/43/00/85/1098430085.db2.gz NOAYAIFJTSJBAO-UHFFFAOYSA-N 1 0 301.346 3.006 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001233836495 1098440259 /nfs/dbraw/zinc/44/02/59/1098440259.db2.gz OBFLOFRUMJVKAT-LBPRGKRZSA-N 1 0 303.362 3.252 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233837112 1098440330 /nfs/dbraw/zinc/44/03/30/1098440330.db2.gz UIRGDVDXPCZTCQ-AWEZNQCLSA-N 1 0 315.373 3.395 20 5 DGBDRO CCOC(=O)CCCc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001234152339 1098505540 /nfs/dbraw/zinc/50/55/40/1098505540.db2.gz UWIFRPDIUJMMHP-HNNXBMFYSA-N 1 0 308.442 3.046 20 5 DGBDRO CCOC(=O)CCCc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001234152345 1098505582 /nfs/dbraw/zinc/50/55/82/1098505582.db2.gz UWIFRPDIUJMMHP-OAHLLOKOSA-N 1 0 308.442 3.046 20 5 DGBDRO CC(C)(C)N1CC(Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234674163 1098641257 /nfs/dbraw/zinc/64/12/57/1098641257.db2.gz JHLGUIFGOKZEOU-UHFFFAOYSA-N 1 0 301.346 3.005 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1C[C@@H]2COC[C@H](C1)N2 ZINC001235298645 1098948113 /nfs/dbraw/zinc/94/81/13/1098948113.db2.gz INFHQWPKXINRAB-HDICACEKSA-N 1 0 318.420 3.166 20 5 DGBDRO Cc1c(C[NH2+][C@@H](CO)CC2CCCCC2)cccc1[N+](=O)[O-] ZINC001178985885 1098990001 /nfs/dbraw/zinc/99/00/01/1098990001.db2.gz BAVHMACYMKKASY-MRXNPFEDSA-N 1 0 306.406 3.324 20 5 DGBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001179303866 1099057129 /nfs/dbraw/zinc/05/71/29/1099057129.db2.gz JNBUTFULZUPONT-UHFFFAOYSA-N 1 0 316.704 3.148 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC001179386934 1099089734 /nfs/dbraw/zinc/08/97/34/1099089734.db2.gz WJVKRYGSBJRPNH-UHFFFAOYSA-N 1 0 322.368 3.379 20 5 DGBDRO CC(C)C[C@H](C)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001180497458 1099444098 /nfs/dbraw/zinc/44/40/98/1099444098.db2.gz LILSKYHOGUIHQW-HNNXBMFYSA-N 1 0 305.422 3.399 20 5 DGBDRO CCC[N@H+](CC(C)C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001190643133 1100313531 /nfs/dbraw/zinc/31/35/31/1100313531.db2.gz JHZKYHCBZDDPLL-ZDUSSCGKSA-N 1 0 307.394 3.290 20 5 DGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCN(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001194260553 1100905478 /nfs/dbraw/zinc/90/54/78/1100905478.db2.gz FAUROTXEVZVAKO-HZPDHXFCSA-N 1 0 319.449 3.047 20 5 DGBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001195962875 1101224541 /nfs/dbraw/zinc/22/45/41/1101224541.db2.gz AKEXNWWFMOWJDW-SCLBCKFNSA-N 1 0 312.369 3.292 20 5 DGBDRO C[C@]1(C(F)(F)F)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001197542000 1101591523 /nfs/dbraw/zinc/59/15/23/1101591523.db2.gz HEZYUAKLBWAQJP-ZDUSSCGKSA-N 1 0 318.295 3.248 20 5 DGBDRO C[C@@H](NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001197646331 1101621235 /nfs/dbraw/zinc/62/12/35/1101621235.db2.gz DWZZDNWGEQUUIN-QLFBSQMISA-N 1 0 305.422 3.223 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001198252434 1101797672 /nfs/dbraw/zinc/79/76/72/1101797672.db2.gz UUKBWTTZNNNFMY-PZMTTYODSA-N 1 0 314.385 3.247 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCSC[C@H]2C2CC2)c(F)c1 ZINC001198271106 1101815221 /nfs/dbraw/zinc/81/52/21/1101815221.db2.gz UFBOJUSPSWRROW-HNNXBMFYSA-N 1 0 310.394 3.451 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001198685181 1101958568 /nfs/dbraw/zinc/95/85/68/1101958568.db2.gz HXKIBZCVUNVVGS-GOEBONIOSA-N 1 0 320.389 3.007 20 5 DGBDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001199583066 1102168338 /nfs/dbraw/zinc/16/83/38/1102168338.db2.gz SYEVMOBXEFKJDP-UHFFFAOYSA-N 1 0 316.405 3.453 20 5 DGBDRO CC(C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001326629264 1103391726 /nfs/dbraw/zinc/39/17/26/1103391726.db2.gz UWEXVKFJBHRQIU-UHFFFAOYSA-N 1 0 319.405 3.482 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001330288650 1104530672 /nfs/dbraw/zinc/53/06/72/1104530672.db2.gz FVVVFWKRULBIFA-CABCVRRESA-N 1 0 314.389 3.428 20 5 DGBDRO C[C@H](N[C@@H]1CCCC[C@H]1[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC001330696632 1104622008 /nfs/dbraw/zinc/62/20/08/1104622008.db2.gz FEEYEZSMOYSMIP-IACUBPJLSA-N 1 0 309.385 3.257 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094261 1105886969 /nfs/dbraw/zinc/88/69/69/1105886969.db2.gz BANZXHJUWLMEJH-HUUCEWRRSA-N 1 0 305.422 3.286 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](F)C3)CC2)cc1 ZINC001254464863 1106077471 /nfs/dbraw/zinc/07/74/71/1106077471.db2.gz LAYSRFYLUFKRNJ-UKRRQHHQSA-N 1 0 321.396 3.434 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccccc2)COC1 ZINC001254536243 1106097782 /nfs/dbraw/zinc/09/77/82/1106097782.db2.gz AUSAQVSCWYGDTF-AWEZNQCLSA-N 1 0 312.369 3.041 20 5 DGBDRO Cc1ccc(CCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254538792 1106098096 /nfs/dbraw/zinc/09/80/96/1106098096.db2.gz BJSFYGQVRJVIFR-OAHLLOKOSA-N 1 0 313.401 3.452 20 5 DGBDRO Cc1ccnc(CCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254539926 1106098679 /nfs/dbraw/zinc/09/86/79/1106098679.db2.gz MJQCAJUOKPFDLD-OAHLLOKOSA-N 1 0 313.401 3.452 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2ocnc2c1 ZINC001254542523 1106099411 /nfs/dbraw/zinc/09/94/11/1106099411.db2.gz OPTOVVRHTAEMRN-LBPRGKRZSA-N 1 0 311.341 3.457 20 5 DGBDRO CCC(CC)N1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254547481 1106100351 /nfs/dbraw/zinc/10/03/51/1106100351.db2.gz ISKBUGNCWMXLMI-ZBFHGGJFSA-N 1 0 319.449 3.378 20 5 DGBDRO CC(C)n1cncc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254545384 1106100479 /nfs/dbraw/zinc/10/04/79/1106100479.db2.gz NAUBZVSSBGXSEM-ZDUSSCGKSA-N 1 0 302.378 3.093 20 5 DGBDRO Cc1ccc([C@@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254548358 1106101156 /nfs/dbraw/zinc/10/11/56/1106101156.db2.gz HTSYNLDZYFZBHR-RHSMWYFYSA-N 1 0 314.385 3.157 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC001254550711 1106101761 /nfs/dbraw/zinc/10/17/61/1106101761.db2.gz PJNPPWZTDLFMSN-OAHLLOKOSA-N 1 0 317.433 3.086 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)C[C@]1(C)CO ZINC001254551471 1106101805 /nfs/dbraw/zinc/10/18/05/1106101805.db2.gz BOYDKJWKOAKTDC-SUMWQHHRSA-N 1 0 306.406 3.009 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC([N@H+](C)C2CC2)CC1 ZINC001254563875 1106104189 /nfs/dbraw/zinc/10/41/89/1106104189.db2.gz FTJUJHYQCIJELB-AWEZNQCLSA-N 1 0 317.433 3.084 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001254563155 1106104509 /nfs/dbraw/zinc/10/45/09/1106104509.db2.gz VDOGPXCPWUNUMB-RDJZCZTQSA-N 1 0 317.433 3.086 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc(F)cc(F)c1)C2 ZINC001254569416 1106105828 /nfs/dbraw/zinc/10/58/28/1106105828.db2.gz XYUGZAPLYXQMKH-OAHLLOKOSA-N 1 0 304.296 3.130 20 5 DGBDRO Cc1cccc(OCC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254575706 1106106621 /nfs/dbraw/zinc/10/66/21/1106106621.db2.gz SQFBCVZWXAIMHM-INIZCTEOSA-N 1 0 312.369 3.039 20 5 DGBDRO COc1cccc([C@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572932 1106106647 /nfs/dbraw/zinc/10/66/47/1106106647.db2.gz VDPYMOQITYJVSV-LRDDRELGSA-N 1 0 312.369 3.421 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(F)c1F)C2 ZINC001254574471 1106106978 /nfs/dbraw/zinc/10/69/78/1106106978.db2.gz HOURUEKCZQIEHF-ZDUSSCGKSA-N 1 0 304.296 3.130 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H]1c1ccc(F)cc1)C2 ZINC001254579616 1106107481 /nfs/dbraw/zinc/10/74/81/1106107481.db2.gz UMKWBDYJAVSYAK-NJAFHUGGSA-N 1 0 312.344 3.347 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@@H]1c1ccc(F)cc1)C2 ZINC001254579617 1106107725 /nfs/dbraw/zinc/10/77/25/1106107725.db2.gz UMKWBDYJAVSYAK-NXHRZFHOSA-N 1 0 312.344 3.347 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H]1c1nccs1)C2 ZINC001254604896 1106111467 /nfs/dbraw/zinc/11/14/67/1106111467.db2.gz YFMFRGZLMOFICN-GJZGRUSLSA-N 1 0 315.398 3.356 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCc3ccsc3C1)C2 ZINC001254600727 1106111481 /nfs/dbraw/zinc/11/14/81/1106111481.db2.gz QXYNPBMZXFELJJ-OAHLLOKOSA-N 1 0 300.383 3.182 20 5 DGBDRO C[N@H+](CCC(=O)c1ccccc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602849 1106111700 /nfs/dbraw/zinc/11/17/00/1106111700.db2.gz JGUOLIZWLVCYGB-GOSISDBHSA-N 1 0 324.380 3.267 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cccc(C(F)F)c3)C2)c1 ZINC001262010490 1107572666 /nfs/dbraw/zinc/57/26/66/1107572666.db2.gz HEOQUABYUYGCHU-UHFFFAOYSA-N 1 0 322.315 3.222 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)c2c1 ZINC001317668142 1107587297 /nfs/dbraw/zinc/58/72/97/1107587297.db2.gz OCIZOKIDCCTYEW-ZFWWWQNUSA-N 1 0 314.389 3.414 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC001262573556 1107728832 /nfs/dbraw/zinc/72/88/32/1107728832.db2.gz XWLPUIXMQFNPEA-ZUZCIYMTSA-N 1 0 321.764 3.027 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC001324733156 1108444650 /nfs/dbraw/zinc/44/46/50/1108444650.db2.gz HTYNPAKURXKTNC-UHFFFAOYSA-N 1 0 323.393 3.052 20 5 DGBDRO Cc1c(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc2c[nH+]cn21 ZINC001288792705 1110195553 /nfs/dbraw/zinc/19/55/53/1110195553.db2.gz LCNPGYINWJNTQK-NSHDSACASA-N 1 0 324.340 3.042 20 5 DGBDRO C[N@@H+]1CC[C@@H](CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001306958912 1111254624 /nfs/dbraw/zinc/25/46/24/1111254624.db2.gz HJOVDRRGFAUQJN-QMMMGPOBSA-N 1 0 304.177 3.265 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001306966121 1111255199 /nfs/dbraw/zinc/25/51/99/1111255199.db2.gz CTVBLSLPLLFWDU-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO C[N@H+]1CC=C(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001307082442 1111263899 /nfs/dbraw/zinc/26/38/99/1111263899.db2.gz CKOSLWUFLGUKDQ-UHFFFAOYSA-N 1 0 315.295 3.287 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001307622176 1111321356 /nfs/dbraw/zinc/32/13/56/1111321356.db2.gz MWEYHKPPFANACW-JGGQBBKZSA-N 1 0 320.389 3.225 20 5 DGBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC001307899890 1111352876 /nfs/dbraw/zinc/35/28/76/1111352876.db2.gz NQXCPFGEIVAPBT-CQSZACIVSA-N 1 0 320.389 3.007 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN1CCN(c2cccc(F)c2)CC1 ZINC001308011685 1111366651 /nfs/dbraw/zinc/36/66/51/1111366651.db2.gz RPKPFMHKCQLSGR-UHFFFAOYSA-N 1 0 315.348 3.056 20 5 DGBDRO COc1ccc(C[NH2+]CCCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001308259986 1111407063 /nfs/dbraw/zinc/40/70/63/1111407063.db2.gz CYNKENQHMOFVHN-UHFFFAOYSA-N 1 0 316.357 3.031 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001308275021 1111409317 /nfs/dbraw/zinc/40/93/17/1111409317.db2.gz WYGYFJGBFDPHLV-HOTGVXAUSA-N 1 0 312.369 3.324 20 5 DGBDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001308299133 1111413147 /nfs/dbraw/zinc/41/31/47/1111413147.db2.gz YEXYWMHEKHKVGB-GTQRCTGISA-N 1 0 324.446 3.073 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC001308449111 1111430293 /nfs/dbraw/zinc/43/02/93/1111430293.db2.gz SVUKFDWPGJQSBI-GFCCVEGCSA-N 1 0 322.405 3.279 20 5 DGBDRO CCC[C@@H](O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001308538638 1111439480 /nfs/dbraw/zinc/43/94/80/1111439480.db2.gz NESLRFZURJTOPK-CYBMUJFWSA-N 1 0 318.373 3.496 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC(C)(C)C1 ZINC001308547076 1111441153 /nfs/dbraw/zinc/44/11/53/1111441153.db2.gz ILUJZJPJCNJWDJ-PTNGSMBKSA-N 1 0 317.433 3.320 20 5 DGBDRO C[C@@]1(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCCCO1 ZINC001308644820 1111455297 /nfs/dbraw/zinc/45/52/97/1111455297.db2.gz WJHQKKUWNMIFRS-HNNXBMFYSA-N 1 0 312.797 3.340 20 5 DGBDRO COc1nc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC001308672569 1111458959 /nfs/dbraw/zinc/45/89/59/1111458959.db2.gz QDRSQNXZBZOUDF-UHFFFAOYSA-N 1 0 315.373 3.332 20 5 DGBDRO C[C@H]([NH2+]C1CC(C(=O)OC(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001308929619 1111495898 /nfs/dbraw/zinc/49/58/98/1111495898.db2.gz XZXBJRRIOSLSHA-HIFPTAJRSA-N 1 0 320.389 3.366 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC001308961635 1111500656 /nfs/dbraw/zinc/50/06/56/1111500656.db2.gz YROGHJAMCPHMNY-NHYWBVRUSA-N 1 0 312.797 3.279 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000414631201 230793678 /nfs/dbraw/zinc/79/36/78/230793678.db2.gz WLVKMYPJHHCAAI-GFCCVEGCSA-N 1 0 318.377 3.350 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)C2CCCCC2)cc1F ZINC000278667168 214312125 /nfs/dbraw/zinc/31/21/25/214312125.db2.gz QVGUUOJSPYTEEX-OAHLLOKOSA-N 1 0 310.369 3.155 20 5 DGBDRO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272850706 210246738 /nfs/dbraw/zinc/24/67/38/210246738.db2.gz HHJPDOPRWCAIFU-CHWSQXEVSA-N 1 0 304.394 3.055 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cc(Cl)cn2)cc1[N+](=O)[O-] ZINC000314307117 231129966 /nfs/dbraw/zinc/12/99/66/231129966.db2.gz QKBIYFDDXBXBTL-LLVKDONJSA-N 1 0 308.769 3.104 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000316650796 231151675 /nfs/dbraw/zinc/15/16/75/231151675.db2.gz WTDXPTQMPZWRQK-CYBMUJFWSA-N 1 0 307.394 3.280 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000318199185 231167629 /nfs/dbraw/zinc/16/76/29/231167629.db2.gz VPZCVWRKZPSDRN-LBPRGKRZSA-N 1 0 300.358 3.330 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C)CC1 ZINC000063309315 432005269 /nfs/dbraw/zinc/00/52/69/432005269.db2.gz WFGHGSYPBZNOFG-ZDUSSCGKSA-N 1 0 319.405 3.354 20 5 DGBDRO CCc1ccccc1[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1Cl ZINC000420281106 529617634 /nfs/dbraw/zinc/61/76/34/529617634.db2.gz QVQHSHQKXLBALG-CQSZACIVSA-N 1 0 320.780 3.318 20 5 DGBDRO C[C@H](O)CC(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090085174 185281244 /nfs/dbraw/zinc/28/12/44/185281244.db2.gz CHNRTRDFTXVIFB-XJKSGUPXSA-N 1 0 320.433 3.303 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@H](C)CC2)c([N+](=O)[O-])cc1OC ZINC000092586227 185327124 /nfs/dbraw/zinc/32/71/24/185327124.db2.gz MIFMVOZPGJPPLC-LBPRGKRZSA-N 1 0 308.378 3.234 20 5 DGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297408694 529939751 /nfs/dbraw/zinc/93/97/51/529939751.db2.gz CRKOWXBIVJJDCK-HOTGVXAUSA-N 1 0 314.389 3.059 20 5 DGBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000413440924 530060879 /nfs/dbraw/zinc/06/08/79/530060879.db2.gz PCCYZCFWNOXJGZ-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000111384483 185591418 /nfs/dbraw/zinc/59/14/18/185591418.db2.gz VFXRQDYRXCEIRA-INIZCTEOSA-N 1 0 304.346 3.105 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000104078516 432013504 /nfs/dbraw/zinc/01/35/04/432013504.db2.gz JDZYKEDQMQIWOV-KBPBESRZSA-N 1 0 319.405 3.495 20 5 DGBDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000279665860 215044213 /nfs/dbraw/zinc/04/42/13/215044213.db2.gz DXSAFBVLNYUAIQ-SUMWQHHRSA-N 1 0 300.358 3.461 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000286904523 219218655 /nfs/dbraw/zinc/21/86/55/219218655.db2.gz DRHMFRLWAFRCSX-RDJZCZTQSA-N 1 0 316.401 3.242 20 5 DGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272635793 210037190 /nfs/dbraw/zinc/03/71/90/210037190.db2.gz NQYSIJJXUWPERK-SNVBAGLBSA-N 1 0 322.796 3.183 20 5 DGBDRO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173316025 186175819 /nfs/dbraw/zinc/17/58/19/186175819.db2.gz GKHXIMAGMUYTKX-SNVBAGLBSA-N 1 0 306.284 3.214 20 5 DGBDRO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173346799 186179034 /nfs/dbraw/zinc/17/90/34/186179034.db2.gz KQYVYDNVWUSMQX-STQMWFEESA-N 1 0 300.358 3.499 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000268758610 186381525 /nfs/dbraw/zinc/38/15/25/186381525.db2.gz MNMOUHCFEMAMIN-BZNIZROVSA-N 1 0 304.321 3.118 20 5 DGBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000130516344 432026852 /nfs/dbraw/zinc/02/68/52/432026852.db2.gz PKDNGKWUJVKNOP-HNNXBMFYSA-N 1 0 300.362 3.272 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000171949687 198013134 /nfs/dbraw/zinc/01/31/34/198013134.db2.gz JDQRMNBRBIEEEC-LLVKDONJSA-N 1 0 304.350 3.123 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000172832298 198155504 /nfs/dbraw/zinc/15/55/04/198155504.db2.gz FOJITWILEZTMTB-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277161867 213336881 /nfs/dbraw/zinc/33/68/81/213336881.db2.gz KFTCRDBLZFQTHG-CABCVRRESA-N 1 0 305.422 3.380 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277161877 213336519 /nfs/dbraw/zinc/33/65/19/213336519.db2.gz KFTCRDBLZFQTHG-LSDHHAIUSA-N 1 0 305.422 3.380 20 5 DGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC(C)(C)C1 ZINC000072827730 191235058 /nfs/dbraw/zinc/23/50/58/191235058.db2.gz GIEUQHGECBIJTM-NSHDSACASA-N 1 0 316.361 3.438 20 5 DGBDRO CC[C@]1(C)CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072802707 191231125 /nfs/dbraw/zinc/23/11/25/191231125.db2.gz CZKWLYZNLJXFFR-QGZVFWFLSA-N 1 0 319.405 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000067387344 432030752 /nfs/dbraw/zinc/03/07/52/432030752.db2.gz NXTXOPCTFKRSIG-MRXNPFEDSA-N 1 0 301.346 3.139 20 5 DGBDRO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173383781 198208095 /nfs/dbraw/zinc/20/80/95/198208095.db2.gz DYRFUCPAHOBIFB-LBPRGKRZSA-N 1 0 323.393 3.160 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000173307823 198206087 /nfs/dbraw/zinc/20/60/87/198206087.db2.gz IBTGLHBEGWCDFZ-QFYYESIMSA-N 1 0 322.311 3.257 20 5 DGBDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173441719 198215495 /nfs/dbraw/zinc/21/54/95/198215495.db2.gz MCKYLXCTKOWZSU-ZDUSSCGKSA-N 1 0 302.378 3.231 20 5 DGBDRO CCCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236752014 201992934 /nfs/dbraw/zinc/99/29/34/201992934.db2.gz JTKPDCZHZGCAET-UHFFFAOYSA-N 1 0 302.378 3.275 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000107695597 432036568 /nfs/dbraw/zinc/03/65/68/432036568.db2.gz QKRABXCEZYDUIF-AWEZNQCLSA-N 1 0 322.405 3.240 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000287335488 219459289 /nfs/dbraw/zinc/45/92/89/219459289.db2.gz GCGPLRCTCNSBNI-KCQAQPDRSA-N 1 0 322.405 3.317 20 5 DGBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCSC1CCCCC1)CC2 ZINC000332517005 235052806 /nfs/dbraw/zinc/05/28/06/235052806.db2.gz XJGJZEXCAWWBTL-UHFFFAOYSA-N 1 0 321.446 3.414 20 5 DGBDRO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000179140746 432045003 /nfs/dbraw/zinc/04/50/03/432045003.db2.gz XZNWCOQILCWMJY-QGPMSJSTSA-N 1 0 320.433 3.303 20 5 DGBDRO CCOc1cc(C[N@H+](C)C2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000276950633 213198042 /nfs/dbraw/zinc/19/80/42/213198042.db2.gz UCVLYVRNGIIPNM-UHFFFAOYSA-N 1 0 322.405 3.383 20 5 DGBDRO Cc1csc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000080311686 192023380 /nfs/dbraw/zinc/02/33/80/192023380.db2.gz VFDCQMMEGRIQFA-NSHDSACASA-N 1 0 307.375 3.089 20 5 DGBDRO CC(=O)Nc1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000179315615 432054233 /nfs/dbraw/zinc/05/42/33/432054233.db2.gz PVKFHWSISCZAEK-UHFFFAOYSA-N 1 0 313.357 3.185 20 5 DGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739147 291096463 /nfs/dbraw/zinc/09/64/63/291096463.db2.gz VTXIDXYSQYDORU-XUJVJEKNSA-N 1 0 323.824 3.415 20 5 DGBDRO CCOc1cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000276846692 213129729 /nfs/dbraw/zinc/12/97/29/213129729.db2.gz CZEMLMMCMILKGV-DLBZAZTESA-N 1 0 320.389 3.041 20 5 DGBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276838606 213126029 /nfs/dbraw/zinc/12/60/29/213126029.db2.gz BYYRYDKQJIQETE-HNNXBMFYSA-N 1 0 322.405 3.242 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000179136886 198988821 /nfs/dbraw/zinc/98/88/21/198988821.db2.gz LOHRDBLBSQVGJI-ZOBUZTSGSA-N 1 0 318.417 3.322 20 5 DGBDRO C[C@H](CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237389254 202251395 /nfs/dbraw/zinc/25/13/95/202251395.db2.gz VLBLAESQUZDSTQ-JTQLQIEISA-N 1 0 324.764 3.226 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000415101303 237075748 /nfs/dbraw/zinc/07/57/48/237075748.db2.gz AZFSINXCAUWXKP-FUKWUPMWSA-N 1 0 323.396 3.255 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000186794421 200011867 /nfs/dbraw/zinc/01/18/67/200011867.db2.gz ZYUYFSZWTZBVFS-GFOCRRMGSA-N 1 0 318.417 3.199 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1CC(O)C1)CCCC2 ZINC000417319338 237610825 /nfs/dbraw/zinc/61/08/25/237610825.db2.gz BSQJZUUAZZJCOH-QOJXUVEWSA-N 1 0 304.390 3.113 20 5 DGBDRO Cc1cc(NC[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420178406 237689624 /nfs/dbraw/zinc/68/96/24/237689624.db2.gz UHAWMWUBPWFIKM-SNVBAGLBSA-N 1 0 317.311 3.334 20 5 DGBDRO CCOC(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188692000 200289360 /nfs/dbraw/zinc/28/93/60/200289360.db2.gz NGYYDHLFGGZJLS-OAHLLOKOSA-N 1 0 306.406 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[C@@H](O)C3)o2)cc1 ZINC000188843749 200311550 /nfs/dbraw/zinc/31/15/50/200311550.db2.gz OHLCOSGGSBFTMQ-IUODEOHRSA-N 1 0 316.357 3.105 20 5 DGBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000189109202 200349998 /nfs/dbraw/zinc/34/99/98/200349998.db2.gz FCVGWWXZBBTBGX-NWDGAFQWSA-N 1 0 304.346 3.368 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134873047 432088308 /nfs/dbraw/zinc/08/83/08/432088308.db2.gz JJJLIPVWPSIKIR-PBHICJAKSA-N 1 0 315.417 3.044 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[C@H]2C2CCC2)n1 ZINC000424288800 237889690 /nfs/dbraw/zinc/88/96/90/237889690.db2.gz JJQIVEVLXMUNJN-CAOSSQGBSA-N 1 0 318.421 3.301 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428997444 238037165 /nfs/dbraw/zinc/03/71/65/238037165.db2.gz CMSWLDOVWUEZAY-ADAWSYLGSA-N 1 0 317.433 3.318 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000430129902 238068104 /nfs/dbraw/zinc/06/81/04/238068104.db2.gz VOUSUUWIWZZOMQ-QIIPPGSGSA-N 1 0 317.433 3.065 20 5 DGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000429532956 238053792 /nfs/dbraw/zinc/05/37/92/238053792.db2.gz YUKONZKXYBLDKK-DOTOQJQBSA-N 1 0 322.405 3.429 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000429703631 238058597 /nfs/dbraw/zinc/05/85/97/238058597.db2.gz RTYNRGPJXFVANK-LYRGGWFBSA-N 1 0 320.364 3.171 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000430240447 238072292 /nfs/dbraw/zinc/07/22/92/238072292.db2.gz UVWMZOWUPQPUBY-OAHLLOKOSA-N 1 0 310.419 3.177 20 5 DGBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000292440376 223081096 /nfs/dbraw/zinc/08/10/96/223081096.db2.gz WYAWAJVIHMBXNK-CYBMUJFWSA-N 1 0 321.396 3.040 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCCCCO)C1CC1 ZINC000271897452 209307433 /nfs/dbraw/zinc/30/74/33/209307433.db2.gz ULNSVLKHRFAULS-MRXNPFEDSA-N 1 0 306.406 3.058 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCCO)s1 ZINC000193250793 201013897 /nfs/dbraw/zinc/01/38/97/201013897.db2.gz OEXIEMNZQDROTE-UHFFFAOYSA-N 1 0 306.387 3.185 20 5 DGBDRO CC[C@@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271879870 209289610 /nfs/dbraw/zinc/28/96/10/209289610.db2.gz PEMYXASMAVEPTL-CVEARBPZSA-N 1 0 306.406 3.433 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000194027223 201166270 /nfs/dbraw/zinc/16/62/70/201166270.db2.gz YADKSCDOPPCTKQ-IXDOHACOSA-N 1 0 316.401 3.075 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000271862096 209277599 /nfs/dbraw/zinc/27/75/99/209277599.db2.gz KMZKUOOCBNSVBM-BBWFWOEESA-N 1 0 316.401 3.075 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000444225696 239270627 /nfs/dbraw/zinc/27/06/27/239270627.db2.gz RLNMTEZHEOKREI-GXTWGEPZSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCC2)s1 ZINC000195506683 201396902 /nfs/dbraw/zinc/39/69/02/201396902.db2.gz KRKNVKRCUAGVTP-UHFFFAOYSA-N 1 0 318.402 3.259 20 5 DGBDRO CC[C@H](O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180786786 432100828 /nfs/dbraw/zinc/10/08/28/432100828.db2.gz HZZWERNUKRTTJA-ROUUACIJSA-N 1 0 314.385 3.435 20 5 DGBDRO CCOC(=O)CCCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271832099 209253454 /nfs/dbraw/zinc/25/34/54/209253454.db2.gz WYYFUMFOLWSTHA-OAHLLOKOSA-N 1 0 308.378 3.369 20 5 DGBDRO Cc1ccc(C[NH2+]CC2([C@@H](C)CCO)CCC2)cc1[N+](=O)[O-] ZINC000271832852 209253459 /nfs/dbraw/zinc/25/34/59/209253459.db2.gz PFXIVYCFAGCCQF-AWEZNQCLSA-N 1 0 306.406 3.182 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000271825559 209248044 /nfs/dbraw/zinc/24/80/44/209248044.db2.gz CZELQWYBXGJYRJ-BBRMVZONSA-N 1 0 306.406 3.351 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000247475555 202674862 /nfs/dbraw/zinc/67/48/62/202674862.db2.gz SDCCSIODCVDMCZ-BFQNTYOBSA-N 1 0 320.389 3.376 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000271825561 209247944 /nfs/dbraw/zinc/24/79/44/209247944.db2.gz CZELQWYBXGJYRJ-CJNGLKHVSA-N 1 0 306.406 3.351 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000449068747 240001103 /nfs/dbraw/zinc/00/11/03/240001103.db2.gz CJQFRZTVHRBWFS-CZUORRHYSA-N 1 0 312.369 3.119 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCCCCC1 ZINC000449157746 240044047 /nfs/dbraw/zinc/04/40/47/240044047.db2.gz QYILCOPNIZZIOH-CQSZACIVSA-N 1 0 306.406 3.201 20 5 DGBDRO CC[C@H](NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000449149633 240039480 /nfs/dbraw/zinc/03/94/80/240039480.db2.gz OBRBNASIPUJKNQ-LSDHHAIUSA-N 1 0 321.421 3.186 20 5 DGBDRO Cc1nc(C)c(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449150197 240040682 /nfs/dbraw/zinc/04/06/82/240040682.db2.gz YZCKBYGXTDNFHZ-NSHDSACASA-N 1 0 319.430 3.431 20 5 DGBDRO COC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000449179018 240054838 /nfs/dbraw/zinc/05/48/38/240054838.db2.gz UXUCENYGBWDTIY-DOMZBBRYSA-N 1 0 318.373 3.405 20 5 DGBDRO COC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000449180197 240055084 /nfs/dbraw/zinc/05/50/84/240055084.db2.gz YUFYPZUNMIUYGA-TZMCWYRMSA-N 1 0 304.346 3.096 20 5 DGBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449201121 240064811 /nfs/dbraw/zinc/06/48/11/240064811.db2.gz DCMCLDLUXHHBON-CJNGLKHVSA-N 1 0 308.422 3.159 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000449209892 240070204 /nfs/dbraw/zinc/07/02/04/240070204.db2.gz RCIOKCGZSBOTPH-WNOSKKOXSA-N 1 0 316.401 3.073 20 5 DGBDRO CO[C@@H](CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000449269124 240100019 /nfs/dbraw/zinc/10/00/19/240100019.db2.gz LXPQGDAJMBOLLP-GWCFXTLKSA-N 1 0 320.311 3.083 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000449252156 240092707 /nfs/dbraw/zinc/09/27/07/240092707.db2.gz RPZBHRMSQKNTBQ-BVGQSLNGSA-N 1 0 318.417 3.321 20 5 DGBDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449380538 240165137 /nfs/dbraw/zinc/16/51/37/240165137.db2.gz NSHVQACGNCOLNV-JTQLQIEISA-N 1 0 324.274 3.181 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000449400270 240176510 /nfs/dbraw/zinc/17/65/10/240176510.db2.gz HTWBZXDLEZCGGE-LRDDRELGSA-N 1 0 310.394 3.144 20 5 DGBDRO C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449407082 240181660 /nfs/dbraw/zinc/18/16/60/240181660.db2.gz FIBMTMXDYMIFND-HLLBOEOZSA-N 1 0 320.433 3.304 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000449329905 240133214 /nfs/dbraw/zinc/13/32/14/240133214.db2.gz JXGAOPKJNABQDK-STQMWFEESA-N 1 0 315.373 3.280 20 5 DGBDRO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329133 240134406 /nfs/dbraw/zinc/13/44/06/240134406.db2.gz MNQIRIVSXAITGF-HUUCEWRRSA-N 1 0 307.438 3.236 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449576125 240299194 /nfs/dbraw/zinc/29/91/94/240299194.db2.gz ZVMRETUXSUVMBM-MBNYWOFBSA-N 1 0 300.362 3.018 20 5 DGBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000449507693 240256793 /nfs/dbraw/zinc/25/67/93/240256793.db2.gz FQMXHOQIQQPIBS-TZMCWYRMSA-N 1 0 300.424 3.035 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449557065 240288517 /nfs/dbraw/zinc/28/85/17/240288517.db2.gz UETIWQGXUWGIEH-HCGXZRIXSA-N 1 0 316.401 3.091 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c(F)c1 ZINC000449733179 240386112 /nfs/dbraw/zinc/38/61/12/240386112.db2.gz NYYVTLSJOBWYLE-HNNXBMFYSA-N 1 0 310.394 3.453 20 5 DGBDRO C[C@@H](c1ccccn1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000091703597 193093856 /nfs/dbraw/zinc/09/38/56/193093856.db2.gz KAPSOEKNAPGWFW-ZDUSSCGKSA-N 1 0 301.346 3.062 20 5 DGBDRO CO[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000091772509 193104566 /nfs/dbraw/zinc/10/45/66/193104566.db2.gz ANALREFAOQDKRX-ZDUSSCGKSA-N 1 0 316.357 3.466 20 5 DGBDRO C[C@H]([NH2+]CC[S@](=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000451105731 241006195 /nfs/dbraw/zinc/00/61/95/241006195.db2.gz NAUQRYBVHWCITO-XMHCIUCPSA-N 1 0 318.398 3.053 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCc3ccccn3)C2)cc1 ZINC000451550128 241168655 /nfs/dbraw/zinc/16/86/55/241168655.db2.gz RETYTMYCNBBKPJ-MRXNPFEDSA-N 1 0 311.385 3.412 20 5 DGBDRO C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000451554147 241170691 /nfs/dbraw/zinc/17/06/91/241170691.db2.gz ZJMKPBKHCFCSHV-UNEWFSDZSA-N 1 0 304.390 3.342 20 5 DGBDRO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000451554144 241171068 /nfs/dbraw/zinc/17/10/68/241171068.db2.gz ZJMKPBKHCFCSHV-FRFSOERESA-N 1 0 304.390 3.342 20 5 DGBDRO CC(C)[C@@H](CO)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451620238 241191954 /nfs/dbraw/zinc/19/19/54/241191954.db2.gz ZISPUHKDWMLRKU-IAGOWNOFSA-N 1 0 308.422 3.016 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451696113 241209945 /nfs/dbraw/zinc/20/99/45/241209945.db2.gz FTFINYPTJRZMDV-FRRDWIJNSA-N 1 0 324.808 3.231 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285340394 299365440 /nfs/dbraw/zinc/36/54/40/299365440.db2.gz UUFDLYZQCGEIPN-BLLLJJGKSA-N 1 0 319.405 3.177 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000189994425 432110510 /nfs/dbraw/zinc/11/05/10/432110510.db2.gz RALWIVGDYZLAHD-NEPJUHHUSA-N 1 0 323.393 3.159 20 5 DGBDRO CCC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000453291266 241708528 /nfs/dbraw/zinc/70/85/28/241708528.db2.gz MOQUODDTHNTWOM-PVAVHDDUSA-N 1 0 322.405 3.077 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCC1CCCC1 ZINC000453413264 241773356 /nfs/dbraw/zinc/77/33/56/241773356.db2.gz YFWOKZMFVYETPR-CQSZACIVSA-N 1 0 306.406 3.322 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC(CC)(CC)CO)cc1[N+](=O)[O-] ZINC000090800945 283994909 /nfs/dbraw/zinc/99/49/09/283994909.db2.gz FSYAVJVRMBORIU-ZDUSSCGKSA-N 1 0 324.421 3.443 20 5 DGBDRO Cc1ccc([C@H](C)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000103715956 284033387 /nfs/dbraw/zinc/03/33/87/284033387.db2.gz OQEMUSNAKIRCJC-AWEZNQCLSA-N 1 0 305.422 3.428 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000249514655 202802789 /nfs/dbraw/zinc/80/27/89/202802789.db2.gz BEQLNGSPNIGSKN-UXIGCNINSA-N 1 0 319.405 3.256 20 5 DGBDRO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])CC2 ZINC000468001463 244014131 /nfs/dbraw/zinc/01/41/31/244014131.db2.gz CJOXESVGSFOTND-QGZVFWFLSA-N 1 0 312.369 3.423 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOCC1CC1 ZINC000468628528 244056091 /nfs/dbraw/zinc/05/60/91/244056091.db2.gz RADRXKVEVOXWOW-GXDHUFHOSA-N 1 0 304.390 3.404 20 5 DGBDRO CCC[NH+]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470174774 244152530 /nfs/dbraw/zinc/15/25/30/244152530.db2.gz VLGRZXFZCRNZFK-NTCAYCPXSA-N 1 0 303.406 3.026 20 5 DGBDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471813652 244253264 /nfs/dbraw/zinc/25/32/64/244253264.db2.gz ZVXUGUKFNNBXFA-RYUDHWBXSA-N 1 0 318.398 3.278 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000119052556 284133138 /nfs/dbraw/zinc/13/31/38/284133138.db2.gz LHXAJUZLFKWMFZ-LSDHHAIUSA-N 1 0 305.422 3.366 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](C)N1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000119052647 284133168 /nfs/dbraw/zinc/13/31/68/284133168.db2.gz LHXAJUZLFKWMFZ-HUUCEWRRSA-N 1 0 305.422 3.366 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000093214205 193217304 /nfs/dbraw/zinc/21/73/04/193217304.db2.gz NYPROXHBYNDNLC-UWVGGRQHSA-N 1 0 314.183 3.039 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000093213992 193217435 /nfs/dbraw/zinc/21/74/35/193217435.db2.gz JWMRNFYNZFJGFM-RKDXNWHRSA-N 1 0 314.183 3.039 20 5 DGBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC000120114171 284161416 /nfs/dbraw/zinc/16/14/16/284161416.db2.gz MRZFWGSUPHBNCO-SWLSCSKDSA-N 1 0 319.405 3.094 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)O ZINC000093414541 193246761 /nfs/dbraw/zinc/24/67/61/193246761.db2.gz JRYLSZADUNJVNB-UHFFFAOYSA-N 1 0 304.346 3.058 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000488435897 245191293 /nfs/dbraw/zinc/19/12/93/245191293.db2.gz SQOVFJMAFBJAHR-SWLSCSKDSA-N 1 0 310.419 3.223 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnc(Cl)c1 ZINC000282494165 217038269 /nfs/dbraw/zinc/03/82/69/217038269.db2.gz QDKUZVNDQLOSEN-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282519529 217058050 /nfs/dbraw/zinc/05/80/50/217058050.db2.gz SYKIPMYRCYVIQF-GFCCVEGCSA-N 1 0 319.405 3.094 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000126717928 284314534 /nfs/dbraw/zinc/31/45/34/284314534.db2.gz OYHYRRAWKAJQOF-QGZVFWFLSA-N 1 0 322.368 3.240 20 5 DGBDRO COc1cc(NC[C@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000266123212 205116126 /nfs/dbraw/zinc/11/61/26/205116126.db2.gz AOGBDGFXMBYRLN-CQSZACIVSA-N 1 0 321.402 3.380 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCC2 ZINC000266157172 205144254 /nfs/dbraw/zinc/14/42/54/205144254.db2.gz MMJFGMAMDUOYPY-HZPDHXFCSA-N 1 0 320.389 3.041 20 5 DGBDRO CC(C)(C)OC(=O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266188892 205170787 /nfs/dbraw/zinc/17/07/87/205170787.db2.gz XTZPFZYXEJORAL-UHFFFAOYSA-N 1 0 314.769 3.070 20 5 DGBDRO Cc1c([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000268779163 432132022 /nfs/dbraw/zinc/13/20/22/432132022.db2.gz PFFGSZGFPMNMKF-LXZKKBNFSA-N 1 0 303.406 3.181 20 5 DGBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000494512172 246158396 /nfs/dbraw/zinc/15/83/96/246158396.db2.gz RGKWWCVFUFYYQT-ZDUSSCGKSA-N 1 0 318.295 3.128 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000494591878 246168456 /nfs/dbraw/zinc/16/84/56/246168456.db2.gz LRFIJWYVLQITFD-INIZCTEOSA-N 1 0 312.369 3.121 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000267612447 206173406 /nfs/dbraw/zinc/17/34/06/206173406.db2.gz GZGAWHRVLOCUQX-KBXCAEBGSA-N 1 0 314.385 3.462 20 5 DGBDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000142052644 284528975 /nfs/dbraw/zinc/52/89/75/284528975.db2.gz USMAEPGOLBTHCL-UHTWSYAYSA-N 1 0 307.394 3.254 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000268817926 432141252 /nfs/dbraw/zinc/14/12/52/432141252.db2.gz WJRZRGYMEAPHIA-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@H]1CCC[C@](CNCc2csc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000040668910 183115711 /nfs/dbraw/zinc/11/57/11/183115711.db2.gz HKJQZNBOHOHPOU-WFASDCNBSA-N 1 0 311.451 3.256 20 5 DGBDRO COCC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000042977187 183325708 /nfs/dbraw/zinc/32/57/08/183325708.db2.gz HJYCVXIINQRPSJ-UHFFFAOYSA-N 1 0 300.358 3.243 20 5 DGBDRO CCCc1csc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1 ZINC000494185167 535451574 /nfs/dbraw/zinc/45/15/74/535451574.db2.gz HVPUFNIMQCBSDD-UHFFFAOYSA-N 1 0 305.403 3.336 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000154097138 284711988 /nfs/dbraw/zinc/71/19/88/284711988.db2.gz HIQJTDIDAURBBF-BBRMVZONSA-N 1 0 317.389 3.450 20 5 DGBDRO CCOC1CC(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000284920596 218234906 /nfs/dbraw/zinc/23/49/06/218234906.db2.gz DCOJCMMBQMDYAR-LKSINWNRSA-N 1 0 307.394 3.033 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000106469507 194219074 /nfs/dbraw/zinc/21/90/74/194219074.db2.gz VROAXASCESNMPG-GFCCVEGCSA-N 1 0 316.357 3.030 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000285217940 218337002 /nfs/dbraw/zinc/33/70/02/218337002.db2.gz FCJAJRLABKOISD-UHFFFAOYSA-N 1 0 315.329 3.178 20 5 DGBDRO Cc1ccc([C@@H](O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285339272 218388154 /nfs/dbraw/zinc/38/81/54/218388154.db2.gz OQSLVMUYOFNIPM-SFHVURJKSA-N 1 0 314.385 3.111 20 5 DGBDRO C[C@]1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000245571825 284826807 /nfs/dbraw/zinc/82/68/07/284826807.db2.gz ZFEXSKLORHCKMQ-QILLFSRXSA-N 1 0 318.417 3.465 20 5 DGBDRO CC[C@@H]([NH2+]CCCC(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000268798605 206965610 /nfs/dbraw/zinc/96/56/10/206965610.db2.gz GSKFJRMSKYYGBV-MRXNPFEDSA-N 1 0 321.421 3.284 20 5 DGBDRO CC[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000268993400 207148549 /nfs/dbraw/zinc/14/85/49/207148549.db2.gz GXKLGAKYADFGRN-IRXDYDNUSA-N 1 0 300.358 3.369 20 5 DGBDRO Cc1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000061003167 184159804 /nfs/dbraw/zinc/15/98/04/184159804.db2.gz AVIFEXSITODBRU-UHFFFAOYSA-N 1 0 305.422 3.302 20 5 DGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173411804 252657030 /nfs/dbraw/zinc/65/70/30/252657030.db2.gz HJCPDDYZQDSYNJ-CYBMUJFWSA-N 1 0 313.357 3.274 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265618566 285075963 /nfs/dbraw/zinc/07/59/63/285075963.db2.gz WVXPIFKNQWOWQB-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO COc1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433808167 533033570 /nfs/dbraw/zinc/03/35/70/533033570.db2.gz OFKLCIMCHVFXBX-AWEZNQCLSA-N 1 0 305.378 3.032 20 5 DGBDRO C[C@H]([NH2+]CCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000337210959 253062106 /nfs/dbraw/zinc/06/21/06/253062106.db2.gz AEZSPROSEKCVHG-ZDUSSCGKSA-N 1 0 310.357 3.295 20 5 DGBDRO COCC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCC1 ZINC000337264914 253073767 /nfs/dbraw/zinc/07/37/67/253073767.db2.gz SVHABUNSVUCHCT-ZROIWOOFSA-N 1 0 304.390 3.404 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000337320179 253086326 /nfs/dbraw/zinc/08/63/26/253086326.db2.gz OOCVCDHGRIBGQR-CQSZACIVSA-N 1 0 317.389 3.212 20 5 DGBDRO COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)(C)C ZINC000338370135 253274754 /nfs/dbraw/zinc/27/47/54/253274754.db2.gz ZUJFJGIEGASXFT-OAHLLOKOSA-N 1 0 310.394 3.144 20 5 DGBDRO C[C@@]1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000120207179 195119396 /nfs/dbraw/zinc/11/93/96/195119396.db2.gz IQGJDZQBTXCZOA-MRXNPFEDSA-N 1 0 302.330 3.123 20 5 DGBDRO Cc1ccn2c(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cnc2c1 ZINC000338958914 253380200 /nfs/dbraw/zinc/38/02/00/253380200.db2.gz VVCWJZKYPUOJKF-UHFFFAOYSA-N 1 0 324.384 3.225 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](O)C2)s1 ZINC000158765355 197300148 /nfs/dbraw/zinc/30/01/48/197300148.db2.gz LLXKZLPIVOCIAG-GFCCVEGCSA-N 1 0 318.398 3.280 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(O)CCCC1(C)C ZINC000339466189 253473176 /nfs/dbraw/zinc/47/31/76/253473176.db2.gz IIOGZXOMJOOSFE-QGZVFWFLSA-N 1 0 322.405 3.024 20 5 DGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000286510276 219027036 /nfs/dbraw/zinc/02/70/36/219027036.db2.gz MUHCZPSUAKKJRE-TXBJDVRTSA-N 1 0 322.792 3.103 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCc3cn[nH]c31)CCC2 ZINC000278639247 285145289 /nfs/dbraw/zinc/14/52/89/285145289.db2.gz HJWGVRKQMMOZIQ-HZPDHXFCSA-N 1 0 312.373 3.363 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cc1[N+](=O)[O-] ZINC000120278708 195134117 /nfs/dbraw/zinc/13/41/17/195134117.db2.gz FBERLYPPKNRYBR-BBRMVZONSA-N 1 0 317.389 3.450 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186450174 285153238 /nfs/dbraw/zinc/15/32/38/285153238.db2.gz NEKWPAKPHQNCBV-SFHVURJKSA-N 1 0 310.353 3.226 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000186794387 285162019 /nfs/dbraw/zinc/16/20/19/285162019.db2.gz ZYUYFSZWTZBVFS-NOVWEMISSA-N 1 0 318.417 3.199 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(C3CC3)CC2)n1 ZINC000447575685 285169023 /nfs/dbraw/zinc/16/90/23/285169023.db2.gz URNTZMGJDKQXMS-KGLIPLIRSA-N 1 0 304.394 3.055 20 5 DGBDRO CCCN(CC[NH+](CC)CC)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000342843817 254062989 /nfs/dbraw/zinc/06/29/89/254062989.db2.gz SIXYKCIRDLZFEJ-UHFFFAOYSA-N 1 0 321.421 3.356 20 5 DGBDRO CC[C@H](C)[NH2+][C@H](CNc1ncc([N+](=O)[O-])cc1C)c1ccco1 ZINC000343272101 254122483 /nfs/dbraw/zinc/12/24/83/254122483.db2.gz POJWMKTVAJCTDP-GXTWGEPZSA-N 1 0 318.377 3.433 20 5 DGBDRO CC[C@H](C)[NH2+][C@@H](CNc1ncc([N+](=O)[O-])cc1C)c1ccco1 ZINC000343272103 254122604 /nfs/dbraw/zinc/12/26/04/254122604.db2.gz POJWMKTVAJCTDP-JSGCOSHPSA-N 1 0 318.377 3.433 20 5 DGBDRO Cc1cnc(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000343103083 254099838 /nfs/dbraw/zinc/09/98/38/254099838.db2.gz OBRZLBCVVRJMIH-CJNGLKHVSA-N 1 0 314.389 3.402 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343678203 254176907 /nfs/dbraw/zinc/17/69/07/254176907.db2.gz COQBDVUROZYMMC-CHWSQXEVSA-N 1 0 307.394 3.290 20 5 DGBDRO CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343939762 254204658 /nfs/dbraw/zinc/20/46/58/254204658.db2.gz VDMQUTYQYZLGHY-AWEZNQCLSA-N 1 0 319.405 3.436 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344054589 254218754 /nfs/dbraw/zinc/21/87/54/254218754.db2.gz JGQYTADDWSYSKP-UONOGXRCSA-N 1 0 317.389 3.210 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(O)cc2)c(Cl)c1 ZINC000344114743 254227377 /nfs/dbraw/zinc/22/73/77/254227377.db2.gz NABGUIDTHJGIKG-UHFFFAOYSA-N 1 0 306.749 3.286 20 5 DGBDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344153644 254232628 /nfs/dbraw/zinc/23/26/28/254232628.db2.gz YCVINXRQYFQZTO-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO CC[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000344230257 254242306 /nfs/dbraw/zinc/24/23/06/254242306.db2.gz JDEHVMSQEPIFQD-LRDDRELGSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000343993507 254210545 /nfs/dbraw/zinc/21/05/45/254210545.db2.gz OJUCGVVCGJARDX-OCCSQVGLSA-N 1 0 317.389 3.044 20 5 DGBDRO C[C@@](O)(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000344411293 254267631 /nfs/dbraw/zinc/26/76/31/254267631.db2.gz RYXIVMFZQYYYDM-QGZVFWFLSA-N 1 0 316.357 3.105 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000344458564 254273104 /nfs/dbraw/zinc/27/31/04/254273104.db2.gz KKKLMJZYBKJDQK-INIZCTEOSA-N 1 0 300.358 3.117 20 5 DGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000255954916 285189387 /nfs/dbraw/zinc/18/93/87/285189387.db2.gz GAZSHKOOVTZNNS-DVOMOZLQSA-N 1 0 319.405 3.338 20 5 DGBDRO COCCC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000345013982 254323453 /nfs/dbraw/zinc/32/34/53/254323453.db2.gz LZBQEXQXQHKMEL-GXDHUFHOSA-N 1 0 304.390 3.404 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000345770852 254396237 /nfs/dbraw/zinc/39/62/37/254396237.db2.gz XBLLRQKQWMBQFI-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000120356083 195150191 /nfs/dbraw/zinc/15/01/91/195150191.db2.gz UKUPUBIKTJKGRG-UHFFFAOYSA-N 1 0 322.409 3.016 20 5 DGBDRO COc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000194414759 533167278 /nfs/dbraw/zinc/16/72/78/533167278.db2.gz ZJYGCUBTAGVJIC-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000283942917 285233178 /nfs/dbraw/zinc/23/31/78/285233178.db2.gz AFQYUUPECLWHIZ-WBVHZDCISA-N 1 0 320.389 3.137 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154074764 196936648 /nfs/dbraw/zinc/93/66/48/196936648.db2.gz UOSLQNOFMLGYKF-CYBMUJFWSA-N 1 0 311.813 3.022 20 5 DGBDRO Cc1ccc([C@H](C)NC(=O)Nc2ccncc2C)cc1[N+](=O)[O-] ZINC000120451841 195168921 /nfs/dbraw/zinc/16/89/21/195168921.db2.gz OQLWRADFDSVSRX-LBPRGKRZSA-N 1 0 314.345 3.489 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000323004219 533218996 /nfs/dbraw/zinc/21/89/96/533218996.db2.gz VFMKWMXMCSUYKE-ZFWWWQNUSA-N 1 0 322.405 3.119 20 5 DGBDRO C[C@@H](CO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000289519462 221036707 /nfs/dbraw/zinc/03/67/07/221036707.db2.gz VGGXBZUYHAYDOK-NSHDSACASA-N 1 0 306.387 3.136 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)OCCc2sccc21 ZINC000289862820 221276522 /nfs/dbraw/zinc/27/65/22/221276522.db2.gz QNXFVXMZBLQJTA-INIZCTEOSA-N 1 0 318.398 3.234 20 5 DGBDRO COc1cc(C[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000121135219 195297525 /nfs/dbraw/zinc/29/75/25/195297525.db2.gz CUVIVEQWSNKFBJ-UHFFFAOYSA-N 1 0 308.378 3.234 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000470210212 533381206 /nfs/dbraw/zinc/38/12/06/533381206.db2.gz AFGQMWHBZMMULZ-MBMZNTITSA-N 1 0 318.417 3.481 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCOCC1CC1 ZINC000470181275 533381410 /nfs/dbraw/zinc/38/14/10/533381410.db2.gz AOKXMPRUVNNZIW-UVTDQMKNSA-N 1 0 304.390 3.357 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCCO)CC1 ZINC000470214270 533383038 /nfs/dbraw/zinc/38/30/38/533383038.db2.gz NULNOEKHRRMFHS-QINSGFPZSA-N 1 0 318.417 3.483 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CC(C)C)CC1 ZINC000470177855 533406720 /nfs/dbraw/zinc/40/67/20/533406720.db2.gz VACKKMGOXNUFHD-LFIBNONCSA-N 1 0 317.433 3.272 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CCCOC1 ZINC000470169329 533406749 /nfs/dbraw/zinc/40/67/49/533406749.db2.gz DJSOERQJUWSVHR-SCZPIIQISA-N 1 0 304.390 3.357 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000468652845 533409588 /nfs/dbraw/zinc/40/95/88/533409588.db2.gz KMKAWDZVHGMQLR-WZFZXHKMSA-N 1 0 304.390 3.139 20 5 DGBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000294992989 533477619 /nfs/dbraw/zinc/47/76/19/533477619.db2.gz HSXMBBMEIPWBEE-LBPRGKRZSA-N 1 0 318.373 3.494 20 5 DGBDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000294802540 533559758 /nfs/dbraw/zinc/55/97/58/533559758.db2.gz NBXDWIUBOYNNRO-ZDUSSCGKSA-N 1 0 318.373 3.353 20 5 DGBDRO COc1cccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433809665 533618351 /nfs/dbraw/zinc/61/83/51/533618351.db2.gz WCJCUFHRNLBABK-ZDUSSCGKSA-N 1 0 305.378 3.032 20 5 DGBDRO C[C@@H](CCO)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000297353782 533622201 /nfs/dbraw/zinc/62/22/01/533622201.db2.gz PGDMQCKMHGMIGX-MLGOLLRUSA-N 1 0 306.406 3.315 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@@H+]1C ZINC000316806986 533660544 /nfs/dbraw/zinc/66/05/44/533660544.db2.gz PKSGLUFXEBEDIE-NEPJUHHUSA-N 1 0 300.362 3.038 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)C1CCCCC1 ZINC000584665535 400087503 /nfs/dbraw/zinc/08/75/03/400087503.db2.gz QCISNBOCMABMIW-CVEARBPZSA-N 1 0 304.390 3.113 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)C1CCCCC1 ZINC000584665536 400087516 /nfs/dbraw/zinc/08/75/16/400087516.db2.gz QCISNBOCMABMIW-HOTGVXAUSA-N 1 0 304.390 3.113 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000595050083 400089182 /nfs/dbraw/zinc/08/91/82/400089182.db2.gz FURSLGAEVHFVQW-UVBJJODRSA-N 1 0 320.389 3.212 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000595056432 400092737 /nfs/dbraw/zinc/09/27/37/400092737.db2.gz HGIXEBUPYNVNNQ-GOEBONIOSA-N 1 0 319.449 3.378 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C1(CO)CC1 ZINC000595068068 400097071 /nfs/dbraw/zinc/09/70/71/400097071.db2.gz ODBYGVZJCJXZKX-CHWSQXEVSA-N 1 0 324.446 3.216 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000595067380 400097488 /nfs/dbraw/zinc/09/74/88/400097488.db2.gz HGEHRBLSUUFAEC-VQOAGZRVSA-N 1 0 324.446 3.244 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cccc1[N+](=O)[O-] ZINC000595071872 400098838 /nfs/dbraw/zinc/09/88/38/400098838.db2.gz ROOWIXHVSUHBAW-NSAYFAORSA-N 1 0 324.446 3.244 20 5 DGBDRO C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000595078036 400100967 /nfs/dbraw/zinc/10/09/67/400100967.db2.gz SHACHCNKAGSIJW-LLVKDONJSA-N 1 0 300.362 3.057 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(C)(C)F ZINC000595091084 400102715 /nfs/dbraw/zinc/10/27/15/400102715.db2.gz URMLUHDXPPVSPO-LLVKDONJSA-N 1 0 311.357 3.040 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](OC)C1CCCC1 ZINC000595093341 400103921 /nfs/dbraw/zinc/10/39/21/400103921.db2.gz AAPMRJQKHIURLI-PXAZEXFGSA-N 1 0 322.405 3.459 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCc2ccco2)n1 ZINC000595092969 400104063 /nfs/dbraw/zinc/10/40/63/400104063.db2.gz BZEYJWPHWHASCI-CABCVRRESA-N 1 0 318.377 3.090 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC1(C)C ZINC000595105391 400107593 /nfs/dbraw/zinc/10/75/93/400107593.db2.gz GBKYRHBEWNFAAD-HIFRSBDPSA-N 1 0 306.406 3.321 20 5 DGBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000595106064 400107601 /nfs/dbraw/zinc/10/76/01/400107601.db2.gz HKXCPEJFUBKZGB-SQNIBIBYSA-N 1 0 312.369 3.451 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000595106040 400107951 /nfs/dbraw/zinc/10/79/51/400107951.db2.gz GVDDHIYZDIBJKR-OCCSQVGLSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000595027008 400080379 /nfs/dbraw/zinc/08/03/79/400080379.db2.gz KUZBTAKXNCUPNQ-SLEUVZQESA-N 1 0 308.378 3.212 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000595025103 400080446 /nfs/dbraw/zinc/08/04/46/400080446.db2.gz GIZIYLCEWRNHSH-OCCSQVGLSA-N 1 0 300.362 3.285 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCC(C)(C)CO ZINC000595025754 400080690 /nfs/dbraw/zinc/08/06/90/400080690.db2.gz MKWRGZBNOUJVHQ-LBPRGKRZSA-N 1 0 310.394 3.053 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000595029136 400081447 /nfs/dbraw/zinc/08/14/47/400081447.db2.gz HORVDABWECIPCA-ZJUUUORDSA-N 1 0 300.305 3.442 20 5 DGBDRO CC(C)n1cc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000090910245 400082227 /nfs/dbraw/zinc/08/22/27/400082227.db2.gz DFXUYTAQXOHYSN-CYBMUJFWSA-N 1 0 302.378 3.266 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507951 400172188 /nfs/dbraw/zinc/17/21/88/400172188.db2.gz SCCLGTRPRVHGQY-YOEHRIQHSA-N 1 0 303.406 3.074 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595513359 400173448 /nfs/dbraw/zinc/17/34/48/400173448.db2.gz UPAAVMXVZCKWIR-GJZGRUSLSA-N 1 0 308.353 3.171 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000609595592 400180152 /nfs/dbraw/zinc/18/01/52/400180152.db2.gz RMAGGSOVPWIPCA-CYBMUJFWSA-N 1 0 314.389 3.110 20 5 DGBDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000609599131 400180253 /nfs/dbraw/zinc/18/02/53/400180253.db2.gz WXGPEIURBDAEND-HNNXBMFYSA-N 1 0 314.341 3.217 20 5 DGBDRO Cc1ccc([C@H](CNc2cccnc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000608779136 400119790 /nfs/dbraw/zinc/11/97/90/400119790.db2.gz UVXCLLPBTSRDMO-AWEZNQCLSA-N 1 0 316.361 3.140 20 5 DGBDRO CC[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCCC1 ZINC000092607787 400185745 /nfs/dbraw/zinc/18/57/45/400185745.db2.gz OAARINDNBQLLJT-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CN1 ZINC000600679705 400128334 /nfs/dbraw/zinc/12/83/34/400128334.db2.gz NRBZWLTVZDZTOH-YQFWSFKMSA-N 1 0 317.433 3.036 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000609120966 400141411 /nfs/dbraw/zinc/14/14/11/400141411.db2.gz PRESLIAROMPFQF-AWEZNQCLSA-N 1 0 317.389 3.106 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000609120968 400141513 /nfs/dbraw/zinc/14/15/13/400141513.db2.gz QFNQXMYEBGCRJL-INIZCTEOSA-N 1 0 317.389 3.106 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000316490357 400149851 /nfs/dbraw/zinc/14/98/51/400149851.db2.gz XXXCFTFLKPBOHE-GJZGRUSLSA-N 1 0 323.824 3.355 20 5 DGBDRO CC[C@H]1Cc2c(cccc2-c2cc([N+](=O)[O-])ccc2CO)C[NH2+]1 ZINC000600784281 400151864 /nfs/dbraw/zinc/15/18/64/400151864.db2.gz ZXQOZRBDPZZLFI-AWEZNQCLSA-N 1 0 312.369 3.178 20 5 DGBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N(C)C ZINC000609223471 400153133 /nfs/dbraw/zinc/15/31/33/400153133.db2.gz WDORCCWKFLYXML-GFCCVEGCSA-N 1 0 319.430 3.363 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C12CCCCC2 ZINC000595455022 400156497 /nfs/dbraw/zinc/15/64/97/400156497.db2.gz QYUCDKPVJPFXSQ-ZIAGYGMSSA-N 1 0 323.393 3.109 20 5 DGBDRO Cc1noc(C[N@@H+]2CC[C@@H](c3ccc(C)cc3C)C2)c1[N+](=O)[O-] ZINC000595468112 400160259 /nfs/dbraw/zinc/16/02/59/400160259.db2.gz JFYDFRLBLAROHD-CQSZACIVSA-N 1 0 315.373 3.498 20 5 DGBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000595483729 400165102 /nfs/dbraw/zinc/16/51/02/400165102.db2.gz VPCIXPFBBKRGOG-XDTLVQLUSA-N 1 0 320.311 3.193 20 5 DGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000609393002 400165769 /nfs/dbraw/zinc/16/57/69/400165769.db2.gz QHSHLVYUMHDORK-UHFFFAOYSA-N 1 0 313.357 3.102 20 5 DGBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092642883 400188311 /nfs/dbraw/zinc/18/83/11/400188311.db2.gz HNWMVBUIKPIWLM-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO Cc1noc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595503400 400170540 /nfs/dbraw/zinc/17/05/40/400170540.db2.gz UKILWXAFZFIKGY-CQSZACIVSA-N 1 0 301.346 3.271 20 5 DGBDRO C[C@H](NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420409 400255881 /nfs/dbraw/zinc/25/58/81/400255881.db2.gz QZONDXQQMWDUIU-ZNMIVQPWSA-N 1 0 305.422 3.223 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752668 400250119 /nfs/dbraw/zinc/25/01/19/400250119.db2.gz VEFOHOJTFNQYTL-SUMWQHHRSA-N 1 0 304.390 3.201 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601155840 400250847 /nfs/dbraw/zinc/25/08/47/400250847.db2.gz MXXCWUYOZIJZRV-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000610368835 400252120 /nfs/dbraw/zinc/25/21/20/400252120.db2.gz UTMVGBJSIMHDBD-KBPBESRZSA-N 1 0 300.362 3.189 20 5 DGBDRO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000610370633 400252874 /nfs/dbraw/zinc/25/28/74/400252874.db2.gz FGCAFYQFRGZVQO-BETUJISGSA-N 1 0 310.419 3.190 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000595563829 400189646 /nfs/dbraw/zinc/18/96/46/400189646.db2.gz ULDJDTRIAYGANQ-ZFWWWQNUSA-N 1 0 308.353 3.125 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000026161162 400253691 /nfs/dbraw/zinc/25/36/91/400253691.db2.gz UVJIMYHYILFLKA-BETUJISGSA-N 1 0 319.405 3.210 20 5 DGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000609839921 400195454 /nfs/dbraw/zinc/19/54/54/400195454.db2.gz KRKOPOIPXJNJBL-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO Cc1c(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000026161358 400254030 /nfs/dbraw/zinc/25/40/30/400254030.db2.gz DXBYCEXXRYXORM-CHWSQXEVSA-N 1 0 319.405 3.210 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](CO)C3)s2)cc1 ZINC000092763330 400203506 /nfs/dbraw/zinc/20/35/06/400203506.db2.gz BSYAGTYDVUCNPF-GFCCVEGCSA-N 1 0 318.398 3.138 20 5 DGBDRO Cc1cccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000023898584 400213470 /nfs/dbraw/zinc/21/34/70/400213470.db2.gz AONGMLWPQFSJSV-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO C[C@H]([N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000027133715 400267621 /nfs/dbraw/zinc/26/76/21/400267621.db2.gz NZKSPXGRMGXHPO-NSHDSACASA-N 1 0 308.378 3.328 20 5 DGBDRO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595826039 400273010 /nfs/dbraw/zinc/27/30/10/400273010.db2.gz JRZYLHMBIFXLST-QGZVFWFLSA-N 1 0 311.385 3.306 20 5 DGBDRO CC(C)CC1([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595831333 400274816 /nfs/dbraw/zinc/27/48/16/400274816.db2.gz MPIYMFRASMDPAH-LBPRGKRZSA-N 1 0 305.378 3.090 20 5 DGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206616 400276789 /nfs/dbraw/zinc/27/67/89/400276789.db2.gz WYFLZIURQOAQCD-XJKSGUPXSA-N 1 0 323.824 3.164 20 5 DGBDRO CCOC1CC([N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000589209176 400276808 /nfs/dbraw/zinc/27/68/08/400276808.db2.gz LXAMMUCNIJLOGN-JYRVWZFOSA-N 1 0 304.390 3.497 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000595871820 400283415 /nfs/dbraw/zinc/28/34/15/400283415.db2.gz RFZUCPREQWHGEP-UHFFFAOYSA-N 1 0 315.364 3.083 20 5 DGBDRO CCC[C@@H](CCO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000601289339 400285314 /nfs/dbraw/zinc/28/53/14/400285314.db2.gz LIHASDUKYPZNJH-JKSUJKDBSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601306299 400287934 /nfs/dbraw/zinc/28/79/34/400287934.db2.gz FXYBTFQMVIIXDN-MVWJERBFSA-N 1 0 302.296 3.456 20 5 DGBDRO COC(=O)CC1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000610677048 400289375 /nfs/dbraw/zinc/28/93/75/400289375.db2.gz WWXIDGYQIIFHDU-UHFFFAOYSA-N 1 0 324.352 3.090 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000610701531 400292807 /nfs/dbraw/zinc/29/28/07/400292807.db2.gz XVWHUZWTHOAMKK-UHFFFAOYSA-N 1 0 322.368 3.113 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000610799552 400307850 /nfs/dbraw/zinc/30/78/50/400307850.db2.gz SNOBLQNFTQVUEV-KKUMJFAQSA-N 1 0 303.406 3.181 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069078633 400308745 /nfs/dbraw/zinc/30/87/45/400308745.db2.gz WOJRZESFSJJZAJ-MRXNPFEDSA-N 1 0 303.406 3.045 20 5 DGBDRO COc1cc(NC[C@H](C(C)C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596071148 400309687 /nfs/dbraw/zinc/30/96/87/400309687.db2.gz XEXDFEYKKDHKCO-OAHLLOKOSA-N 1 0 307.394 3.136 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000610916056 400325049 /nfs/dbraw/zinc/32/50/49/400325049.db2.gz DZJLENIROAZBAD-ZXYDQQDNSA-N 1 0 324.380 3.032 20 5 DGBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC([NH+]2CCCCC2)CC1 ZINC000596080814 400311962 /nfs/dbraw/zinc/31/19/62/400311962.db2.gz OCSGSNFZYYCMLQ-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO CC[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+]1CCCC1 ZINC000029623250 400312389 /nfs/dbraw/zinc/31/23/89/400312389.db2.gz CHCHVWNQFREJSU-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596092991 400315869 /nfs/dbraw/zinc/31/58/69/400315869.db2.gz YQXAVUDDAWBKHN-LBPRGKRZSA-N 1 0 312.373 3.100 20 5 DGBDRO CCCC[NH+](CCCC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029853593 400316433 /nfs/dbraw/zinc/31/64/33/400316433.db2.gz PQUIECAIYFHDPK-UHFFFAOYSA-N 1 0 307.394 3.436 20 5 DGBDRO Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000029953191 400319268 /nfs/dbraw/zinc/31/92/68/400319268.db2.gz ZFHDVOSJIKHWJM-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCOC)C1CCCC1 ZINC000610476283 400260960 /nfs/dbraw/zinc/26/09/60/400260960.db2.gz OKPUZAXWXXVIHA-UHFFFAOYSA-N 1 0 322.405 3.385 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CC2(CO)CCCCC2)cccc1[N+](=O)[O-] ZINC000611336236 400379580 /nfs/dbraw/zinc/37/95/80/400379580.db2.gz CLAHBQLHTFJKCN-CQSZACIVSA-N 1 0 306.406 3.497 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611350085 400383053 /nfs/dbraw/zinc/38/30/53/400383053.db2.gz ATIXNIHRQZEVMY-ZIAGYGMSSA-N 1 0 322.380 3.373 20 5 DGBDRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000611346412 400383162 /nfs/dbraw/zinc/38/31/62/400383162.db2.gz BYCDJZRCIJFOFO-UHFFFAOYSA-N 1 0 308.378 3.196 20 5 DGBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000596133228 400326469 /nfs/dbraw/zinc/32/64/69/400326469.db2.gz FTHJCDUSTYLBCI-GFCCVEGCSA-N 1 0 324.812 3.098 20 5 DGBDRO Cc1cc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])s1 ZINC000596137558 400327354 /nfs/dbraw/zinc/32/73/54/400327354.db2.gz MBAFFPNHNPUSPR-ZDUSSCGKSA-N 1 0 309.435 3.277 20 5 DGBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596144399 400329425 /nfs/dbraw/zinc/32/94/25/400329425.db2.gz CZONISUQZFWOHC-UWVGGRQHSA-N 1 0 313.785 3.151 20 5 DGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000072578056 400391219 /nfs/dbraw/zinc/39/12/19/400391219.db2.gz FTQACZFRIZRAKO-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO CC[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084423 400343800 /nfs/dbraw/zinc/34/38/00/400343800.db2.gz VTMPOOZRJORSKQ-SNVBAGLBSA-N 1 0 317.311 3.144 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)CC3CC3)o2)cc1 ZINC000611108272 400346316 /nfs/dbraw/zinc/34/63/16/400346316.db2.gz UPGLOBNYLOJXQV-CQSZACIVSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)CC3CC3)o2)cc1 ZINC000611108271 400346357 /nfs/dbraw/zinc/34/63/57/400346357.db2.gz UPGLOBNYLOJXQV-AWEZNQCLSA-N 1 0 316.357 3.105 20 5 DGBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000070793259 400357339 /nfs/dbraw/zinc/35/73/39/400357339.db2.gz XJOABWZOGXSQBX-UHFFFAOYSA-N 1 0 314.389 3.444 20 5 DGBDRO COc1cc(N[C@@H](C)C[N@H+](C)C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596237796 400357831 /nfs/dbraw/zinc/35/78/31/400357831.db2.gz YJCHGRBKAZCPAK-JTQLQIEISA-N 1 0 315.801 3.397 20 5 DGBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC12CCCCC2 ZINC000596251687 400361305 /nfs/dbraw/zinc/36/13/05/400361305.db2.gz WMZGZTSCPLZBEU-UHFFFAOYSA-N 1 0 324.812 3.098 20 5 DGBDRO CC(=O)c1ccc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596308352 400376141 /nfs/dbraw/zinc/37/61/41/400376141.db2.gz RFFYRGKVDGCZGB-CYBMUJFWSA-N 1 0 305.378 3.082 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000596308795 400377116 /nfs/dbraw/zinc/37/71/16/400377116.db2.gz VHGLIXAGEJWHKI-GFCCVEGCSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611410971 400395297 /nfs/dbraw/zinc/39/52/97/400395297.db2.gz DQIFQSVGQDJLTP-CYBMUJFWSA-N 1 0 303.387 3.343 20 5 DGBDRO O=[N+]([O-])c1ccsc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000611413766 400396367 /nfs/dbraw/zinc/39/63/67/400396367.db2.gz SEIHQCLVEAMSFI-YPMHNXCESA-N 1 0 307.419 3.109 20 5 DGBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000590569239 400397428 /nfs/dbraw/zinc/39/74/28/400397428.db2.gz PAIFXPDWIUMGES-KOLCDFICSA-N 1 0 317.311 3.142 20 5 DGBDRO CC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000072744346 400400629 /nfs/dbraw/zinc/40/06/29/400400629.db2.gz XLTTWFMJMIFWSL-BIENSFFJSA-N 1 0 304.390 3.403 20 5 DGBDRO CC[C@H]([NH2+]CCc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000611439515 400402244 /nfs/dbraw/zinc/40/22/44/400402244.db2.gz YNUJBHZHIQPPJD-SFHVURJKSA-N 1 0 314.385 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCCC2)c2ccncc21 ZINC000072751775 400402283 /nfs/dbraw/zinc/40/22/83/400402283.db2.gz NZKNVIPNJIILSH-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO Cc1nc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596479184 400424578 /nfs/dbraw/zinc/42/45/78/400424578.db2.gz LXIMZBHQGLGAQX-CYBMUJFWSA-N 1 0 304.394 3.117 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)s1 ZINC000596557579 400444453 /nfs/dbraw/zinc/44/44/53/400444453.db2.gz JQZQNCYEDOOBEQ-ZDUSSCGKSA-N 1 0 303.387 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000121690739 400457374 /nfs/dbraw/zinc/45/73/74/400457374.db2.gz YADKSCDOPPCTKQ-ULQDDVLXSA-N 1 0 316.401 3.075 20 5 DGBDRO CCCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602568334 400499276 /nfs/dbraw/zinc/49/92/76/400499276.db2.gz JUFUIIVHHNUXGD-UHFFFAOYSA-N 1 0 318.421 3.129 20 5 DGBDRO C[C@@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000602578281 400502931 /nfs/dbraw/zinc/50/29/31/400502931.db2.gz WYBSTULAYKPDHH-ZDUSSCGKSA-N 1 0 318.295 3.272 20 5 DGBDRO CCC(C)(C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000074320297 400504894 /nfs/dbraw/zinc/50/48/94/400504894.db2.gz CYZJXJLVRRIUBH-UHFFFAOYSA-N 1 0 304.350 3.265 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCCC[NH2+]3)o2)cc1 ZINC000591275561 400505482 /nfs/dbraw/zinc/50/54/82/400505482.db2.gz DDCSZEABUOAPAZ-AWEZNQCLSA-N 1 0 315.373 3.087 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCCC[NH2+]3)o2)cc1 ZINC000591275562 400505672 /nfs/dbraw/zinc/50/56/72/400505672.db2.gz DDCSZEABUOAPAZ-CQSZACIVSA-N 1 0 315.373 3.087 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](NCC23CC(C2)C[NH2+]3)c2ccccc2)c1 ZINC000596655327 400473386 /nfs/dbraw/zinc/47/33/86/400473386.db2.gz UWSZUCCKZKXJRN-WHDUELSGSA-N 1 0 323.396 3.026 20 5 DGBDRO CCc1ccc([C@@H](N[C@H](C)C[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000596655636 400473393 /nfs/dbraw/zinc/47/33/93/400473393.db2.gz ZBZGMZVFFWLOJI-PXAZEXFGSA-N 1 0 317.389 3.037 20 5 DGBDRO CC(C)[NH2+][C@@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591143165 400492116 /nfs/dbraw/zinc/49/21/16/400492116.db2.gz VNNSTMTWVTUQAL-CQSZACIVSA-N 1 0 314.389 3.110 20 5 DGBDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602548995 400494308 /nfs/dbraw/zinc/49/43/08/400494308.db2.gz ARIBNVVYICSGQB-PWSUYJOCSA-N 1 0 321.402 3.500 20 5 DGBDRO CC[C@@H](COC)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602550153 400494317 /nfs/dbraw/zinc/49/43/17/400494317.db2.gz HWLCRIXNDGYSFX-NSHDSACASA-N 1 0 306.284 3.128 20 5 DGBDRO C[C@H](Cc1cccc(O)c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602550193 400494321 /nfs/dbraw/zinc/49/43/21/400494321.db2.gz KMFYALGBBOLFOE-CYBMUJFWSA-N 1 0 300.358 3.064 20 5 DGBDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602548124 400494327 /nfs/dbraw/zinc/49/43/27/400494327.db2.gz MFUROHPXBPBRBE-CYBMUJFWSA-N 1 0 320.311 3.254 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(CCO)CCCCC2)cc1 ZINC000602564297 400498031 /nfs/dbraw/zinc/49/80/31/400498031.db2.gz SGWUXHRYSWWYBN-UHFFFAOYSA-N 1 0 306.406 3.060 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000602780333 400571839 /nfs/dbraw/zinc/57/18/39/400571839.db2.gz HGFURHQESMSRQV-GXTWGEPZSA-N 1 0 318.377 3.166 20 5 DGBDRO C[C@@H]1CC(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000602653569 400524411 /nfs/dbraw/zinc/52/44/11/400524411.db2.gz OFAVTILAPHMYHM-ZIAGYGMSSA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1cc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591441721 400526119 /nfs/dbraw/zinc/52/61/19/400526119.db2.gz FUDLKAXCFQGOQI-CABCVRRESA-N 1 0 303.406 3.119 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccns3)C2)cc1 ZINC000602685395 400538299 /nfs/dbraw/zinc/53/82/99/400538299.db2.gz NYQUFNVLELJRSA-CYBMUJFWSA-N 1 0 303.387 3.431 20 5 DGBDRO CC1(C)C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc([N+](=O)[O-])ccc21 ZINC000591578084 400541867 /nfs/dbraw/zinc/54/18/67/400541867.db2.gz WFNLAOZMSGZCBK-JAECXMTMSA-N 1 0 315.417 3.190 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCc3ccco3)nc2c1 ZINC000602722148 400550169 /nfs/dbraw/zinc/55/01/69/400550169.db2.gz NSFXMGRODMCDBN-UHFFFAOYSA-N 1 0 301.302 3.051 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000602767581 400568919 /nfs/dbraw/zinc/56/89/19/400568919.db2.gz IEXQZSOCSHJTFC-MRXNPFEDSA-N 1 0 314.389 3.245 20 5 DGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000075898248 400619637 /nfs/dbraw/zinc/61/96/37/400619637.db2.gz VOUIFAHMEDFAEP-QGZVFWFLSA-N 1 0 300.358 3.150 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(CC3CC3)C1)CCC2 ZINC000618567989 400625712 /nfs/dbraw/zinc/62/57/12/400625712.db2.gz DSGBSHCVIOLMBJ-QAPCUYQASA-N 1 0 315.417 3.046 20 5 DGBDRO CC(C)c1ccc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000597204590 400587495 /nfs/dbraw/zinc/58/74/95/400587495.db2.gz JLHGUKNSOSMHLK-LAQFHYBYSA-N 1 0 306.406 3.167 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@]1(c2ccccc2)CC1(C)C ZINC000602900524 400602066 /nfs/dbraw/zinc/60/20/66/400602066.db2.gz CRTFXIKHORLOEW-KRWDZBQOSA-N 1 0 314.389 3.015 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c(F)c1 ZINC000592134933 400610675 /nfs/dbraw/zinc/61/06/75/400610675.db2.gz VDDVGVWXTSEKDP-BBRMVZONSA-N 1 0 308.353 3.125 20 5 DGBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592397817 400645424 /nfs/dbraw/zinc/64/54/24/400645424.db2.gz FSVOQJQWQOCGHU-TUKIKUTGSA-N 1 0 306.431 3.400 20 5 DGBDRO Cc1cccc2nc(CC[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cn21 ZINC000592404354 400647022 /nfs/dbraw/zinc/64/70/22/400647022.db2.gz RDDWTNIWCCMONC-CQSZACIVSA-N 1 0 324.384 3.444 20 5 DGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000597666184 400657579 /nfs/dbraw/zinc/65/75/79/400657579.db2.gz JXQVHWWBFBBGKW-LBPRGKRZSA-N 1 0 307.394 3.317 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000151853622 400676718 /nfs/dbraw/zinc/67/67/18/400676718.db2.gz QFPQRFIQZFSHQJ-HOTGVXAUSA-N 1 0 304.390 3.422 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000151853535 400676967 /nfs/dbraw/zinc/67/69/67/400676967.db2.gz QFPQRFIQZFSHQJ-JKSUJKDBSA-N 1 0 304.390 3.422 20 5 DGBDRO CC(C)[N@H+](C)CC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000076871935 400677954 /nfs/dbraw/zinc/67/79/54/400677954.db2.gz MDHAWZWXEZRSGQ-UHFFFAOYSA-N 1 0 309.385 3.291 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157756386 400719914 /nfs/dbraw/zinc/71/99/14/400719914.db2.gz WRHQHAXEFWEVBP-NVXWUHKLSA-N 1 0 303.406 3.120 20 5 DGBDRO COc1ccc(C[NH+]2CCC3(CC3(F)F)CC2)cc1[N+](=O)[O-] ZINC000593076509 400754575 /nfs/dbraw/zinc/75/45/75/400754575.db2.gz KFNHXZLQSLEQNS-UHFFFAOYSA-N 1 0 312.316 3.225 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159662962 400731329 /nfs/dbraw/zinc/73/13/29/400731329.db2.gz UVAZPBGHEMRRMC-BBRMVZONSA-N 1 0 317.389 3.106 20 5 DGBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000162125996 400744109 /nfs/dbraw/zinc/74/41/09/400744109.db2.gz RTEGSBASHQQICH-CQSZACIVSA-N 1 0 320.389 3.150 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000164541835 400750007 /nfs/dbraw/zinc/75/00/07/400750007.db2.gz IODAONKHYMXUPS-LBPRGKRZSA-N 1 0 307.394 3.208 20 5 DGBDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000171842877 400807898 /nfs/dbraw/zinc/80/78/98/400807898.db2.gz HDBLLPANKVSWHE-QGZVFWFLSA-N 1 0 318.373 3.351 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc4ccccc4[nH]3)nc2c1 ZINC000619075653 400760633 /nfs/dbraw/zinc/76/06/33/400760633.db2.gz QPGYMIMAFIGYIO-UHFFFAOYSA-N 1 0 321.340 3.242 20 5 DGBDRO CCC(O)(CC)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171051997 400783623 /nfs/dbraw/zinc/78/36/23/400783623.db2.gz NSXKXZOAKSXIBS-UHFFFAOYSA-N 1 0 318.373 3.496 20 5 DGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000604525331 400783556 /nfs/dbraw/zinc/78/35/56/400783556.db2.gz PJMFCGRDKCJQNL-UHFFFAOYSA-N 1 0 306.284 3.248 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000078424917 400799244 /nfs/dbraw/zinc/79/92/44/400799244.db2.gz VJNBKLIZJOBOPE-ZDUSSCGKSA-N 1 0 307.369 3.046 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676245 400855377 /nfs/dbraw/zinc/85/53/77/400855377.db2.gz FROZUCQDSIWTGM-HIFRSBDPSA-N 1 0 306.406 3.169 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000598680039 400856355 /nfs/dbraw/zinc/85/63/55/400856355.db2.gz RIDACHYMBMHLQU-NXEZZACHSA-N 1 0 300.305 3.299 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000598680041 400857014 /nfs/dbraw/zinc/85/70/14/400857014.db2.gz RIDACHYMBMHLQU-VHSXEESVSA-N 1 0 300.305 3.299 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000599056625 400941486 /nfs/dbraw/zinc/94/14/86/400941486.db2.gz KUKBYSQPRLUFBZ-KGLIPLIRSA-N 1 0 322.405 3.461 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599084632 400955731 /nfs/dbraw/zinc/95/57/31/400955731.db2.gz DDZLHSIHTHRCND-FABXCBLPSA-N 1 0 320.389 3.212 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000599068301 400947977 /nfs/dbraw/zinc/94/79/77/400947977.db2.gz MFBMWPDYFMMSEZ-ZFWWWQNUSA-N 1 0 324.421 3.441 20 5 DGBDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000593695195 400893729 /nfs/dbraw/zinc/89/37/29/400893729.db2.gz YKXBDTILBZKSAE-LBPRGKRZSA-N 1 0 304.346 3.058 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(C2CCC2)CC1 ZINC000593716441 400898143 /nfs/dbraw/zinc/89/81/43/400898143.db2.gz CGKHKDSJEWZCRZ-LBPRGKRZSA-N 1 0 317.389 3.234 20 5 DGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000079927330 400907404 /nfs/dbraw/zinc/90/74/04/400907404.db2.gz NAZOEXXGGSOCNE-ZIAGYGMSSA-N 1 0 306.410 3.160 20 5 DGBDRO C[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CCS1 ZINC000599074865 400952632 /nfs/dbraw/zinc/95/26/32/400952632.db2.gz UYWDHIYXMKEYTE-NSHDSACASA-N 1 0 303.387 3.475 20 5 DGBDRO C[C@@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000619844462 400910080 /nfs/dbraw/zinc/91/00/80/400910080.db2.gz ASQMEFDOHLSRHI-QWHCGFSZSA-N 1 0 306.410 3.158 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1[nH]nc2ccccc21 ZINC000619846223 400910137 /nfs/dbraw/zinc/91/01/37/400910137.db2.gz JUONQFDOXLDMLG-UHFFFAOYSA-N 1 0 310.357 3.146 20 5 DGBDRO COc1cccc(NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599166504 400983578 /nfs/dbraw/zinc/98/35/78/400983578.db2.gz XFIPFZHBUXTHNH-CYBMUJFWSA-N 1 0 305.378 3.032 20 5 DGBDRO CN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000237083632 400985499 /nfs/dbraw/zinc/98/54/99/400985499.db2.gz ASASCQRNTUODPU-CYBMUJFWSA-N 1 0 315.373 3.039 20 5 DGBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599093612 400958710 /nfs/dbraw/zinc/95/87/10/400958710.db2.gz ZVYNFIWEQZMTQF-ISTRZQFTSA-N 1 0 304.390 3.377 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](OC)C1 ZINC000599093633 400959023 /nfs/dbraw/zinc/95/90/23/400959023.db2.gz UCLLAFZIXWSRBU-JHJVBQTASA-N 1 0 310.419 3.233 20 5 DGBDRO CC(C)OC(=O)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594043098 400959857 /nfs/dbraw/zinc/95/98/57/400959857.db2.gz YXMHVFJWDVTYSG-MRXNPFEDSA-N 1 0 322.405 3.093 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCCCC1 ZINC000080538042 400961301 /nfs/dbraw/zinc/96/13/01/400961301.db2.gz RLFZRJFQHUENLF-UHFFFAOYSA-N 1 0 307.394 3.029 20 5 DGBDRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000080611249 400969623 /nfs/dbraw/zinc/96/96/23/400969623.db2.gz FMFKPRAKQOEEFD-LBPRGKRZSA-N 1 0 309.797 3.231 20 5 DGBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000599140330 400973826 /nfs/dbraw/zinc/97/38/26/400973826.db2.gz UUNHGOBWKNAFRG-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000080676567 400978200 /nfs/dbraw/zinc/97/82/00/400978200.db2.gz NFEFQAOWAQXSPU-AWEZNQCLSA-N 1 0 320.780 3.358 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(O)CCCCCC1 ZINC000594494725 401079779 /nfs/dbraw/zinc/07/97/79/401079779.db2.gz DLSFNFLWIAWICI-HNNXBMFYSA-N 1 0 304.390 3.257 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)c1cccc(F)c1 ZINC000594497424 401081190 /nfs/dbraw/zinc/08/11/90/401081190.db2.gz AGRZYBIMHWCXDI-HZPDHXFCSA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCN1Cc2ccccc2C1 ZINC000594503291 401082476 /nfs/dbraw/zinc/08/24/76/401082476.db2.gz IUULXPQHLQQBMN-GOSISDBHSA-N 1 0 323.396 3.188 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCSCC(F)(F)F ZINC000594501286 401082603 /nfs/dbraw/zinc/08/26/03/401082603.db2.gz JJRDXPGUOLETMK-NSHDSACASA-N 1 0 320.336 3.467 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000594502010 401082894 /nfs/dbraw/zinc/08/28/94/401082894.db2.gz GQEMRSNSEFALKX-MJGOQNOKSA-N 1 0 324.380 3.486 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3CCCC[C@@]32C)c1 ZINC000599669133 401108182 /nfs/dbraw/zinc/10/81/82/401108182.db2.gz BTZUJMBUTWVEDA-YOEHRIQHSA-N 1 0 318.373 3.146 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000599673545 401108587 /nfs/dbraw/zinc/10/85/87/401108587.db2.gz SWNSVOJINKJGRW-UHFFFAOYSA-N 1 0 317.389 3.108 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594599959 401125372 /nfs/dbraw/zinc/12/53/72/401125372.db2.gz KUTRQYUYDDRICV-HIFRSBDPSA-N 1 0 305.378 3.032 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCC1CC1 ZINC000594511802 401089017 /nfs/dbraw/zinc/08/90/17/401089017.db2.gz PWZGBNQICNJDQI-GFCCVEGCSA-N 1 0 305.378 3.092 20 5 DGBDRO C[C@H]1CC(F)(F)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000599623353 401093277 /nfs/dbraw/zinc/09/32/77/401093277.db2.gz ORAKFTPHZCPAIR-NSHDSACASA-N 1 0 300.305 3.093 20 5 DGBDRO CCC[C@H]([NH2+][C@H](CO)CCSC)c1cccc([N+](=O)[O-])c1 ZINC000358292183 286022053 /nfs/dbraw/zinc/02/20/53/286022053.db2.gz HCADOMFKBXDNIB-ZFWWWQNUSA-N 1 0 312.435 3.140 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](CO)CCSC)c1cccc([N+](=O)[O-])c1 ZINC000358292173 286022234 /nfs/dbraw/zinc/02/22/34/286022234.db2.gz HCADOMFKBXDNIB-DZGCQCFKSA-N 1 0 312.435 3.140 20 5 DGBDRO COCc1csc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000594934434 401197184 /nfs/dbraw/zinc/19/71/84/401197184.db2.gz FGTVXSYCGBSOLM-UHFFFAOYSA-N 1 0 306.387 3.135 20 5 DGBDRO CC(C)n1ccnc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594945239 401202710 /nfs/dbraw/zinc/20/27/10/401202710.db2.gz WRDWSUNGTTUFJC-UHFFFAOYSA-N 1 0 322.796 3.358 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594956580 401207129 /nfs/dbraw/zinc/20/71/29/401207129.db2.gz LPFZTRNHZSCSOH-DDJMYBDESA-N 1 0 303.406 3.070 20 5 DGBDRO CC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000063738982 401213775 /nfs/dbraw/zinc/21/37/75/401213775.db2.gz QTLCDXRXGJIRJM-CQSZACIVSA-N 1 0 319.405 3.330 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(CO)CC1 ZINC000594969947 401214300 /nfs/dbraw/zinc/21/43/00/401214300.db2.gz UXAFOTFOGGLLEK-LBPRGKRZSA-N 1 0 316.357 3.105 20 5 DGBDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000594978118 401215943 /nfs/dbraw/zinc/21/59/43/401215943.db2.gz YDDVHGHQMQMXMV-CQSZACIVSA-N 1 0 318.373 3.351 20 5 DGBDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000615939701 401185586 /nfs/dbraw/zinc/18/55/86/401185586.db2.gz UDUVUEBSWBRRBU-BBRMVZONSA-N 1 0 316.405 3.419 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000064029212 401226636 /nfs/dbraw/zinc/22/66/36/401226636.db2.gz OGCXFRVDNGSMKY-ZDUSSCGKSA-N 1 0 305.403 3.241 20 5 DGBDRO CC[C@@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC)[NH+]1CCCC1 ZINC000595006668 401226884 /nfs/dbraw/zinc/22/68/84/401226884.db2.gz HYRVKTOHNQNGPR-KGLIPLIRSA-N 1 0 321.421 3.128 20 5 DGBDRO Cc1ncc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000089581061 401227075 /nfs/dbraw/zinc/22/70/75/401227075.db2.gz VAEOAYCPTUIPIY-JTQLQIEISA-N 1 0 307.375 3.089 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@H+](C)C1CCCC1 ZINC000595012863 401231615 /nfs/dbraw/zinc/23/16/15/401231615.db2.gz PKMXUJXLYVEDKW-CYBMUJFWSA-N 1 0 321.421 3.128 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000595014225 401232677 /nfs/dbraw/zinc/23/26/77/401232677.db2.gz VBRNUUHAUIWZDW-VUCTXSBTSA-N 1 0 322.405 3.195 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000595016457 401233187 /nfs/dbraw/zinc/23/31/87/401233187.db2.gz KQEDZSZMOPVLAZ-NEPJUHHUSA-N 1 0 308.378 3.069 20 5 DGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020057 401236029 /nfs/dbraw/zinc/23/60/29/401236029.db2.gz SMZUWYSXWVMONC-OZVIIMIRSA-N 1 0 310.394 3.051 20 5 DGBDRO C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000066241845 401298111 /nfs/dbraw/zinc/29/81/11/401298111.db2.gz YQMCDTXRSNJVOK-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@@H](C[NH+]1CCCCCC1)NCc1ccc([N+](=O)[O-])cc1F ZINC000359144942 286247568 /nfs/dbraw/zinc/24/75/68/286247568.db2.gz PHDFVIXSFWYHEO-ZDUSSCGKSA-N 1 0 309.385 3.088 20 5 DGBDRO C[C@]1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000359971237 286399793 /nfs/dbraw/zinc/39/97/93/286399793.db2.gz BBZLSYWUWZHZQK-UPXOEVQQSA-N 1 0 302.374 3.155 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420397898 292297117 /nfs/dbraw/zinc/29/71/17/292297117.db2.gz GANWWNDCUYHFJI-ZFWWWQNUSA-N 1 0 311.385 3.354 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000360677088 286519307 /nfs/dbraw/zinc/51/93/07/286519307.db2.gz VAAUSHXPTNQKGZ-UHFFFAOYSA-N 1 0 318.421 3.001 20 5 DGBDRO COc1ccc(F)cc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000360965389 286564241 /nfs/dbraw/zinc/56/42/41/286564241.db2.gz GCOHPMAFFCVBCH-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H]1OC ZINC000361154168 286611542 /nfs/dbraw/zinc/61/15/42/286611542.db2.gz LWCKTQPACNMSIE-DJIMGWMZSA-N 1 0 322.405 3.000 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000361878079 286737870 /nfs/dbraw/zinc/73/78/70/286737870.db2.gz XIGMPEUTMCSYDD-DYVFJYSZSA-N 1 0 300.358 3.369 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000364395349 287021936 /nfs/dbraw/zinc/02/19/36/287021936.db2.gz WTOPUPPNKNRGAO-KSYCFECVSA-N 1 0 304.390 3.449 20 5 DGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000185618887 165009857 /nfs/dbraw/zinc/00/98/57/165009857.db2.gz JSJXRYSZJRVOFM-CJNGLKHVSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000187578794 165095278 /nfs/dbraw/zinc/09/52/78/165095278.db2.gz KXWZXCPXHVEPBD-YPMHNXCESA-N 1 0 308.378 3.232 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192455213 165292150 /nfs/dbraw/zinc/29/21/50/165292150.db2.gz JWOGBERNRVEMKN-OLZOCXBDSA-N 1 0 324.450 3.142 20 5 DGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000192475125 165293062 /nfs/dbraw/zinc/29/30/62/165293062.db2.gz BUOKATAYVOOACL-UHFFFAOYSA-N 1 0 310.423 3.260 20 5 DGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CC3CCCC3)CC2)s1 ZINC000195511527 165372377 /nfs/dbraw/zinc/37/23/77/165372377.db2.gz GOXBBQMMZIQTJZ-UHFFFAOYSA-N 1 0 310.423 3.118 20 5 DGBDRO COc1ccc(OC)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000237239543 165426093 /nfs/dbraw/zinc/42/60/93/165426093.db2.gz LPVPVILQSAFIFA-UHFFFAOYSA-N 1 0 316.357 3.210 20 5 DGBDRO [NH3+]C1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCCCC1 ZINC000262505437 165806264 /nfs/dbraw/zinc/80/62/64/165806264.db2.gz MJEPIPPBNVZJAX-UHFFFAOYSA-N 1 0 300.362 3.217 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266712200 287152460 /nfs/dbraw/zinc/15/24/60/287152460.db2.gz FGAABFLTAGJMKC-HOTGVXAUSA-N 1 0 317.433 3.464 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292185604 287152660 /nfs/dbraw/zinc/15/26/60/287152660.db2.gz QXGLBWXVSNSYNP-DZGCQCFKSA-N 1 0 304.390 3.404 20 5 DGBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182182809 432163461 /nfs/dbraw/zinc/16/34/61/432163461.db2.gz OIOFAYZYUZDPFP-LSDHHAIUSA-N 1 0 312.797 3.374 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1Cl ZINC000246765032 432163791 /nfs/dbraw/zinc/16/37/91/432163791.db2.gz QEXDYCXNUHICPV-SWLSCSKDSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000182185683 432165047 /nfs/dbraw/zinc/16/50/47/432165047.db2.gz DVWJMOGEFOYEDS-ZDUSSCGKSA-N 1 0 323.824 3.166 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CO)C(C)(C)C ZINC000182354141 432181993 /nfs/dbraw/zinc/18/19/93/432181993.db2.gz ALUPEJWPTUZFMX-ZDUSSCGKSA-N 1 0 300.786 3.087 20 5 DGBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626945 432189459 /nfs/dbraw/zinc/18/94/59/432189459.db2.gz DCMQSUGNNIYSBJ-OQUILHJVSA-N 1 0 304.390 3.281 20 5 DGBDRO C[N@H+](CCCc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269648101 432191623 /nfs/dbraw/zinc/19/16/23/432191623.db2.gz FPKFQXDVQNJHMA-SFHVURJKSA-N 1 0 314.385 3.193 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC(CO)CC1 ZINC000182353488 432182965 /nfs/dbraw/zinc/18/29/65/432182965.db2.gz NLUFDRXJKQKXJN-UHFFFAOYSA-N 1 0 312.797 3.231 20 5 DGBDRO CC[N@@H+](Cc1cccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269698154 432198717 /nfs/dbraw/zinc/19/87/17/432198717.db2.gz KVYFEXOKIOTXLD-HNNXBMFYSA-N 1 0 306.387 3.212 20 5 DGBDRO C[C@H](C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000269653268 432193093 /nfs/dbraw/zinc/19/30/93/432193093.db2.gz NJTBFQHLKUADJS-RDTXWAMCSA-N 1 0 314.385 3.364 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000269705731 432201340 /nfs/dbraw/zinc/20/13/40/432201340.db2.gz NKEJBVBNCGTYKV-QFYYESIMSA-N 1 0 322.311 3.257 20 5 DGBDRO COC(=O)c1ccccc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000172352628 432209677 /nfs/dbraw/zinc/20/96/77/432209677.db2.gz GXFZESZQBPPBBR-UHFFFAOYSA-N 1 0 314.341 3.013 20 5 DGBDRO Cc1cnn([C@@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000247254079 432216819 /nfs/dbraw/zinc/21/68/19/432216819.db2.gz UFEXACGFIGGVCR-RHSMWYFYSA-N 1 0 314.389 3.498 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000247262688 432217026 /nfs/dbraw/zinc/21/70/26/432217026.db2.gz ZHINZWBZWUOYPJ-XBFCOCLRSA-N 1 0 303.406 3.179 20 5 DGBDRO COc1ccc(OCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000173492026 228281350 /nfs/dbraw/zinc/28/13/50/228281350.db2.gz HJJKLNBNDSVNFB-UHFFFAOYSA-N 1 0 316.357 3.114 20 5 DGBDRO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000130477797 292635364 /nfs/dbraw/zinc/63/53/64/292635364.db2.gz ZFEXSKLORHCKMQ-QGPMSJSTSA-N 1 0 318.417 3.465 20 5 DGBDRO Cc1ccnc(NC[C@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000301263742 229594763 /nfs/dbraw/zinc/59/47/63/229594763.db2.gz FYACSRNITYSEDX-CQSZACIVSA-N 1 0 306.410 3.221 20 5 DGBDRO COc1ncccc1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302146976 230124939 /nfs/dbraw/zinc/12/49/39/230124939.db2.gz GVLRTPWYPMUTKP-UHFFFAOYSA-N 1 0 324.340 3.467 20 5 DGBDRO Cc1cc(NC[C@H]2CCC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302209296 230163730 /nfs/dbraw/zinc/16/37/30/230163730.db2.gz XYTJEJAYOVMQBG-JSGCOSHPSA-N 1 0 315.373 3.414 20 5 DGBDRO CC[C@@H](CCO)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180608452 263575411 /nfs/dbraw/zinc/57/54/11/263575411.db2.gz JPIDPUORBGYXTH-WMZOPIPTSA-N 1 0 314.385 3.435 20 5 DGBDRO CCc1ccc([C@H]([NH2+]CC(C)(C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346563750 264055175 /nfs/dbraw/zinc/05/51/75/264055175.db2.gz RDCPSXGWSXCTBE-MRXNPFEDSA-N 1 0 318.373 3.200 20 5 DGBDRO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000346809318 264101924 /nfs/dbraw/zinc/10/19/24/264101924.db2.gz GCRMSMIDSKJGSV-DZGCQCFKSA-N 1 0 318.373 3.486 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2cccnc2)c(F)c1 ZINC000346987860 264134633 /nfs/dbraw/zinc/13/46/33/264134633.db2.gz FTDSFHCVHPVLRF-INIZCTEOSA-N 1 0 301.321 3.466 20 5 DGBDRO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1[NH3+] ZINC000347140046 264163898 /nfs/dbraw/zinc/16/38/98/264163898.db2.gz VYYBXBCSMFYITF-SWLSCSKDSA-N 1 0 315.373 3.024 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000347376618 264210006 /nfs/dbraw/zinc/21/00/06/264210006.db2.gz OJHYWMXRQCUUOQ-WKOYGUFESA-N 1 0 304.390 3.499 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCCc1cnccc1C ZINC000348037519 264326763 /nfs/dbraw/zinc/32/67/63/264326763.db2.gz KHXKPXLKHKAESB-UHFFFAOYSA-N 1 0 315.373 3.029 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000348148300 264352079 /nfs/dbraw/zinc/35/20/79/264352079.db2.gz YUTUVGDNEXYNGL-UONOGXRCSA-N 1 0 322.405 3.287 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000352362534 265016110 /nfs/dbraw/zinc/01/61/10/265016110.db2.gz VYQLZVFRVKREQL-LSDHHAIUSA-N 1 0 312.373 3.182 20 5 DGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352366250 265018644 /nfs/dbraw/zinc/01/86/44/265018644.db2.gz CNXVUCSOBBZTIV-IAQYHMDHSA-N 1 0 312.373 3.038 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000352400846 265032713 /nfs/dbraw/zinc/03/27/13/265032713.db2.gz VDCRGGZUQLVLIA-ZBFHGGJFSA-N 1 0 314.389 3.498 20 5 DGBDRO CC(C)c1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352541208 265083164 /nfs/dbraw/zinc/08/31/64/265083164.db2.gz VDEXAAPVVNJTHT-GOSISDBHSA-N 1 0 317.433 3.294 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C1CCCC1 ZINC000352680730 265126549 /nfs/dbraw/zinc/12/65/49/265126549.db2.gz UYFFYUDQMZPZLU-MRXNPFEDSA-N 1 0 322.405 3.023 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000352714176 265139048 /nfs/dbraw/zinc/13/90/48/265139048.db2.gz ANVHAOHJEHXGTK-INIZCTEOSA-N 1 0 321.396 3.184 20 5 DGBDRO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000352791298 265169609 /nfs/dbraw/zinc/16/96/09/265169609.db2.gz HPVOUPHJGDMJCD-WMLDXEAASA-N 1 0 314.389 3.265 20 5 DGBDRO COc1cccc(C2(C[NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000352951743 265244111 /nfs/dbraw/zinc/24/41/11/265244111.db2.gz VWWRWKLJCSOCQA-UHFFFAOYSA-N 1 0 312.369 3.425 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000356164712 266303976 /nfs/dbraw/zinc/30/39/76/266303976.db2.gz KSAPTKCMZADRFG-UHFFFAOYSA-N 1 0 321.421 3.094 20 5 DGBDRO C[C@@H]1CC[C@H]([N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO)C1 ZINC000356359941 266366109 /nfs/dbraw/zinc/36/61/09/266366109.db2.gz HUOGQXCCFILLLD-WQDDEOEWSA-N 1 0 304.390 3.091 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000151336469 432238333 /nfs/dbraw/zinc/23/83/33/432238333.db2.gz DOUVSOZTKXAVCI-HOCLYGCPSA-N 1 0 322.430 3.048 20 5 DGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000270391169 432240185 /nfs/dbraw/zinc/24/01/85/432240185.db2.gz RPYCRIKSCGLSCD-UHFFFAOYSA-N 1 0 319.386 3.279 20 5 DGBDRO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000151462477 432248292 /nfs/dbraw/zinc/24/82/92/432248292.db2.gz WBHGYZSZQYDLIR-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO CCOc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000368601397 271178298 /nfs/dbraw/zinc/17/82/98/271178298.db2.gz FTMZTADAASZALC-OLZOCXBDSA-N 1 0 305.378 3.032 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000368774965 271206126 /nfs/dbraw/zinc/20/61/26/271206126.db2.gz LZEMKKROXOFLDP-IRXDYDNUSA-N 1 0 304.390 3.198 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000369419269 271273974 /nfs/dbraw/zinc/27/39/74/271273974.db2.gz QWLLXNFIOSCWGR-HUUCEWRRSA-N 1 0 304.390 3.233 20 5 DGBDRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369669729 271308908 /nfs/dbraw/zinc/30/89/08/271308908.db2.gz DOBBNWXUKGGUFG-LBPRGKRZSA-N 1 0 318.352 3.329 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCCOCC3)o2)c1 ZINC000370075141 271339494 /nfs/dbraw/zinc/33/94/94/271339494.db2.gz YTOSBSGWKHMMPF-UHFFFAOYSA-N 1 0 302.330 3.077 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000449317784 274231894 /nfs/dbraw/zinc/23/18/94/274231894.db2.gz CBFZRQVCNLYLAA-BLLLJJGKSA-N 1 0 314.389 3.000 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173363407 274249723 /nfs/dbraw/zinc/24/97/23/274249723.db2.gz AXWJNLZZKHKKOM-LSDHHAIUSA-N 1 0 305.422 3.366 20 5 DGBDRO Cc1cc(N2CC[NH+](C3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461724105 274706653 /nfs/dbraw/zinc/70/66/53/274706653.db2.gz AXDPXHRFKWISQC-UHFFFAOYSA-N 1 0 307.369 3.107 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247983789 432259871 /nfs/dbraw/zinc/25/98/71/432259871.db2.gz IPYBFIVIMJFHHI-IUODEOHRSA-N 1 0 323.824 3.164 20 5 DGBDRO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000262115824 274951796 /nfs/dbraw/zinc/95/17/96/274951796.db2.gz KEAXJMFJKXJVBO-BXUZGUMPSA-N 1 0 300.362 3.072 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CCOCC1)CCCC2 ZINC000417347525 275038094 /nfs/dbraw/zinc/03/80/94/275038094.db2.gz XIOAQIMPBXWLMZ-QGZVFWFLSA-N 1 0 304.390 3.379 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1CCCC1)CCCC2 ZINC000417333251 275038194 /nfs/dbraw/zinc/03/81/94/275038194.db2.gz YPDDYOONJLNNTP-QGZVFWFLSA-N 1 0 303.406 3.048 20 5 DGBDRO CCCC[N@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000488254043 429177835 /nfs/dbraw/zinc/17/78/35/429177835.db2.gz LQKBPYCQSMCJBS-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C[NH+](C)C ZINC000489022705 429214147 /nfs/dbraw/zinc/21/41/47/429214147.db2.gz HKTPKBOHCLBWNY-ZDUSSCGKSA-N 1 0 314.389 3.266 20 5 DGBDRO CCOC(CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OCC ZINC000278820787 276306712 /nfs/dbraw/zinc/30/67/12/276306712.db2.gz SLNMYZGBDBNJMG-MRXNPFEDSA-N 1 0 322.405 3.351 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])s1)CC(C)C ZINC000472340608 429714380 /nfs/dbraw/zinc/71/43/80/429714380.db2.gz NPLBAPSVLPHXNA-LLVKDONJSA-N 1 0 300.428 3.220 20 5 DGBDRO C[N@@H+]1CCC[C@]2(CCN(c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000338747773 277087161 /nfs/dbraw/zinc/08/71/61/277087161.db2.gz UVYPWTCSAWBPJI-HNNXBMFYSA-N 1 0 309.797 3.170 20 5 DGBDRO COC(=O)[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429398683 277130502 /nfs/dbraw/zinc/13/05/02/277130502.db2.gz VOQVJIPPWKZGOS-INWMFGNUSA-N 1 0 320.389 3.175 20 5 DGBDRO COC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433294637 277262993 /nfs/dbraw/zinc/26/29/93/277262993.db2.gz AEGPJVKTFPKCPZ-CVEARBPZSA-N 1 0 304.390 3.332 20 5 DGBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000178603556 277294883 /nfs/dbraw/zinc/29/48/83/277294883.db2.gz ADQVXNZSKAMPTM-OAHLLOKOSA-N 1 0 319.408 3.212 20 5 DGBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000178603569 277300145 /nfs/dbraw/zinc/30/01/45/277300145.db2.gz ADQVXNZSKAMPTM-HNNXBMFYSA-N 1 0 319.408 3.212 20 5 DGBDRO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249068204 277353964 /nfs/dbraw/zinc/35/39/64/277353964.db2.gz KLLYXFDKUNKETO-KCQAQPDRSA-N 1 0 320.389 3.095 20 5 DGBDRO COC(=O)[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000429406183 277396581 /nfs/dbraw/zinc/39/65/81/277396581.db2.gz JRCBKGZOCNTCEK-KCXAZCMYSA-N 1 0 320.389 3.175 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000414592978 278035705 /nfs/dbraw/zinc/03/57/05/278035705.db2.gz ZZTNTANKYAHOFN-UKRRQHHQSA-N 1 0 306.406 3.311 20 5 DGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000343797421 278099805 /nfs/dbraw/zinc/09/98/05/278099805.db2.gz UQLGJIOZXZJBNN-DGCLKSJQSA-N 1 0 309.797 3.311 20 5 DGBDRO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000093303941 278174962 /nfs/dbraw/zinc/17/49/62/278174962.db2.gz FJHZRMNWMZVYEB-OAHLLOKOSA-N 1 0 314.385 3.368 20 5 DGBDRO C[C@@H](Cn1cccn1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279129115 278300800 /nfs/dbraw/zinc/30/08/00/278300800.db2.gz QVTRSGJUNIHNDX-BLLLJJGKSA-N 1 0 314.389 3.192 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000336866742 278355930 /nfs/dbraw/zinc/35/59/30/278355930.db2.gz ODAGZWLEROGSJA-DOMZBBRYSA-N 1 0 314.341 3.085 20 5 DGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000279135045 278389727 /nfs/dbraw/zinc/38/97/27/278389727.db2.gz RILVGRVOAAOPQX-JLZZUVOBSA-N 1 0 318.417 3.458 20 5 DGBDRO Cc1nc(NC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301678114 279101886 /nfs/dbraw/zinc/10/18/86/279101886.db2.gz TYKJMZGSNLWODH-ZDUSSCGKSA-N 1 0 314.389 3.231 20 5 DGBDRO CCCO[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108396009 431139153 /nfs/dbraw/zinc/13/91/53/431139153.db2.gz RAKWKTCOJAOSTQ-MRXNPFEDSA-N 1 0 322.405 3.255 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000449285817 279382057 /nfs/dbraw/zinc/38/20/57/279382057.db2.gz SVMXIHKVRVUYIN-PBHICJAKSA-N 1 0 317.433 3.132 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000278908045 279539465 /nfs/dbraw/zinc/53/94/65/279539465.db2.gz ZWMQKXWQUJZBFF-ZBEGNZNMSA-N 1 0 300.362 3.057 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCc2occc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293270836 279540212 /nfs/dbraw/zinc/54/02/12/279540212.db2.gz CILORZMACPLFJM-HZMBPMFUSA-N 1 0 301.346 3.498 20 5 DGBDRO CC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)COC1 ZINC000112711686 431296324 /nfs/dbraw/zinc/29/63/24/431296324.db2.gz ZVEZERJDPCCIHW-UHFFFAOYSA-N 1 0 318.398 3.449 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000074311516 431413788 /nfs/dbraw/zinc/41/37/88/431413788.db2.gz FGLQXBQUWHVFLL-GOSISDBHSA-N 1 0 312.369 3.077 20 5 DGBDRO C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000114241980 431378312 /nfs/dbraw/zinc/37/83/12/431378312.db2.gz DYRNQXZSZGVMGZ-KBPBESRZSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000074230478 431406349 /nfs/dbraw/zinc/40/63/49/431406349.db2.gz SGOPUHIEBWRRCK-INIZCTEOSA-N 1 0 320.776 3.380 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCCC[C@@H]3O)o2)c1 ZINC000116342987 431502627 /nfs/dbraw/zinc/50/26/27/431502627.db2.gz WHSXNTFXQGMZCR-HOTGVXAUSA-N 1 0 316.357 3.248 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1C(C)C ZINC000117348642 431559415 /nfs/dbraw/zinc/55/94/15/431559415.db2.gz IAJHENDPCLRYAP-MRXNPFEDSA-N 1 0 319.405 3.352 20 5 DGBDRO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000117349028 431560505 /nfs/dbraw/zinc/56/05/05/431560505.db2.gz UELNFBCGCXOJSY-AWEZNQCLSA-N 1 0 305.378 3.044 20 5 DGBDRO CCOc1cccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286294854 279973600 /nfs/dbraw/zinc/97/36/00/279973600.db2.gz JAOGZPRNNSOGRG-UONOGXRCSA-N 1 0 319.405 3.057 20 5 DGBDRO CC(C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000076902768 431565931 /nfs/dbraw/zinc/56/59/31/431565931.db2.gz DTMNYKHOEGJGNV-UHFFFAOYSA-N 1 0 302.334 3.018 20 5 DGBDRO CC[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000161778948 280183933 /nfs/dbraw/zinc/18/39/33/280183933.db2.gz RZSGMLVNBRUTTO-MRXNPFEDSA-N 1 0 320.389 3.321 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161871277 280360597 /nfs/dbraw/zinc/36/05/97/280360597.db2.gz IOUYHBAJYXAWSP-DOMZBBRYSA-N 1 0 319.380 3.187 20 5 DGBDRO C[C@H]1C[C@H](C)C[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000014183659 431581359 /nfs/dbraw/zinc/58/13/59/431581359.db2.gz GJDZEXGSTOFGSS-RYUDHWBXSA-N 1 0 316.361 3.123 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000119404512 431689137 /nfs/dbraw/zinc/68/91/37/431689137.db2.gz SLEURZTVFYLEDP-VERVWZFWSA-N 1 0 318.398 3.183 20 5 DGBDRO CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000079309405 431720409 /nfs/dbraw/zinc/72/04/09/431720409.db2.gz MKHPIAOLLFCRGX-KGLIPLIRSA-N 1 0 321.421 3.279 20 5 DGBDRO CC(C)c1nccn1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123678425 431871716 /nfs/dbraw/zinc/87/17/16/431871716.db2.gz DTBOUSBAAMZNKD-UHFFFAOYSA-N 1 0 322.752 3.207 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000122441223 431832824 /nfs/dbraw/zinc/83/28/24/431832824.db2.gz YNNFMSORFSFTJW-AWEZNQCLSA-N 1 0 308.378 3.039 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000093214436 431913988 /nfs/dbraw/zinc/91/39/88/431913988.db2.gz IBBOSURSWHRKPJ-ZJUUUORDSA-N 1 0 303.284 3.295 20 5 DGBDRO C[NH+](C)CCSc1ccc(Br)cc1[N+](=O)[O-] ZINC000095020726 431920317 /nfs/dbraw/zinc/92/03/17/431920317.db2.gz ZCUCRXKZVWCYAI-UHFFFAOYSA-N 1 0 305.197 3.011 20 5 DGBDRO CCC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000089728398 431875921 /nfs/dbraw/zinc/87/59/21/431875921.db2.gz ZBDSDNHNVTYFCP-HOTGVXAUSA-N 1 0 319.405 3.035 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000089728396 431876032 /nfs/dbraw/zinc/87/60/32/431876032.db2.gz ZBDSDNHNVTYFCP-JKSUJKDBSA-N 1 0 319.405 3.035 20 5 DGBDRO C[C@@H]1CC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000090965664 431898611 /nfs/dbraw/zinc/89/86/11/431898611.db2.gz ABFXPFCXFPSBCT-XNJGSVPQSA-N 1 0 318.417 3.462 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000127393485 431971207 /nfs/dbraw/zinc/97/12/07/431971207.db2.gz DCADBROGBQAGGN-GTJPDFRWSA-N 1 0 312.435 3.101 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000127568294 431975837 /nfs/dbraw/zinc/97/58/37/431975837.db2.gz MSOHXBQVMJFKKV-OLZOCXBDSA-N 1 0 319.405 3.210 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2ccccc2)c(Cl)c1 ZINC000049963741 431945889 /nfs/dbraw/zinc/94/58/89/431945889.db2.gz MFDIZKOAUISNGC-UHFFFAOYSA-N 1 0 306.749 3.417 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000126415601 431949699 /nfs/dbraw/zinc/94/96/99/431949699.db2.gz UGFZKUYKAGPONQ-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000090918454 280973700 /nfs/dbraw/zinc/97/37/00/280973700.db2.gz VXEHBBURHYNDLD-HOTGVXAUSA-N 1 0 314.389 3.447 20 5 DGBDRO CC(=O)c1ccc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052160001 431954803 /nfs/dbraw/zinc/95/48/03/431954803.db2.gz MVHIVOJXHJULQP-OLZOCXBDSA-N 1 0 319.405 3.330 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC(C)(C)CC1 ZINC000127111923 431964920 /nfs/dbraw/zinc/96/49/20/431964920.db2.gz YZPHTXPXMSDIHJ-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO C[C@H](c1ccccn1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000127961892 431984911 /nfs/dbraw/zinc/98/49/11/431984911.db2.gz BDDXSEDDVSLJSX-CYBMUJFWSA-N 1 0 301.346 3.062 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128377071 431992976 /nfs/dbraw/zinc/99/29/76/431992976.db2.gz KKRCRZOZLVLZHA-HOCLYGCPSA-N 1 0 318.352 3.204 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000183383425 432288959 /nfs/dbraw/zinc/28/89/59/432288959.db2.gz DNTHRYAHTNWDQA-LBTNJELSSA-N 1 0 314.385 3.410 20 5 DGBDRO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102419342 431993714 /nfs/dbraw/zinc/99/37/14/431993714.db2.gz DIPCBRMXYRZXFF-LBPRGKRZSA-N 1 0 306.387 3.184 20 5 DGBDRO CC[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)N1CCCC1 ZINC000151687247 432266543 /nfs/dbraw/zinc/26/65/43/432266543.db2.gz NUSRVCAQXLNKQK-HUUCEWRRSA-N 1 0 305.422 3.428 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000183712889 432319390 /nfs/dbraw/zinc/31/93/90/432319390.db2.gz DYXZBQIIWUDOLP-MRXNPFEDSA-N 1 0 322.405 3.024 20 5 DGBDRO COc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000271101857 432330899 /nfs/dbraw/zinc/33/08/99/432330899.db2.gz PQIZWURRPXIXER-QWRGUYRKSA-N 1 0 311.357 3.027 20 5 DGBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000152449574 432334081 /nfs/dbraw/zinc/33/40/81/432334081.db2.gz QBAZFDUGMLGDHW-LBPRGKRZSA-N 1 0 311.813 3.022 20 5 DGBDRO Cc1noc([C@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000249707312 432355420 /nfs/dbraw/zinc/35/54/20/432355420.db2.gz PMZGICJBJMZXNR-RISCZKNCSA-N 1 0 316.361 3.227 20 5 DGBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000152168395 432309933 /nfs/dbraw/zinc/30/99/33/432309933.db2.gz PGGYOJZJAAJWDN-QWRGUYRKSA-N 1 0 303.362 3.481 20 5 DGBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000152168580 432310110 /nfs/dbraw/zinc/31/01/10/432310110.db2.gz PGGYOJZJAAJWDN-WDEREUQCSA-N 1 0 303.362 3.481 20 5 DGBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(Cl)c1 ZINC000174821636 432373739 /nfs/dbraw/zinc/37/37/39/432373739.db2.gz VSEZDPBIJDICRS-UHFFFAOYSA-N 1 0 322.796 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c2ncccc12 ZINC000271380380 432383859 /nfs/dbraw/zinc/38/38/59/432383859.db2.gz XFVMODYXIUHGAJ-BBRMVZONSA-N 1 0 312.373 3.182 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000192630593 432394860 /nfs/dbraw/zinc/39/48/60/432394860.db2.gz PPTHVWQXEVFNQJ-CZUORRHYSA-N 1 0 319.405 3.068 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000184524959 432401145 /nfs/dbraw/zinc/40/11/45/432401145.db2.gz FHPQBHCOHDJUPS-GOEBONIOSA-N 1 0 318.417 3.058 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000184556315 432404882 /nfs/dbraw/zinc/40/48/82/432404882.db2.gz STSNPQQPDOOWGD-RDTXWAMCSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000184556345 432405436 /nfs/dbraw/zinc/40/54/36/432405436.db2.gz STSNPQQPDOOWGD-KDOFPFPSSA-N 1 0 314.385 3.239 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C)CC2)cccc1[N+](=O)[O-] ZINC000249835013 432359960 /nfs/dbraw/zinc/35/99/60/432359960.db2.gz RJXPHHVLGGLPTE-TZMCWYRMSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1O ZINC000271275981 432366513 /nfs/dbraw/zinc/36/65/13/432366513.db2.gz KUWVLCCKIDJMMN-LRDDRELGSA-N 1 0 316.357 3.058 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261712007 432444072 /nfs/dbraw/zinc/44/40/72/432444072.db2.gz DQGSDMZXTSQLFC-XOKHGSTOSA-N 1 0 311.385 3.083 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000153819429 432447469 /nfs/dbraw/zinc/44/74/69/432447469.db2.gz WFRXJXUIGRLSET-WMZOPIPTSA-N 1 0 312.369 3.118 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](C2CCCC2)CC1 ZINC000153902667 432453373 /nfs/dbraw/zinc/45/33/73/432453373.db2.gz YQECXXNVOCJIQZ-UHFFFAOYSA-N 1 0 324.812 3.462 20 5 DGBDRO CC1(C)[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCO[C@@H]21 ZINC000153907245 432456087 /nfs/dbraw/zinc/45/60/87/432456087.db2.gz DAHAAHBBLVBQFT-UBHSHLNASA-N 1 0 310.781 3.151 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC1CCC1)C(C)C ZINC000193201476 432457009 /nfs/dbraw/zinc/45/70/09/432457009.db2.gz BTYRKNJJZREERK-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CC1CCC1)C(C)C ZINC000193204827 432457795 /nfs/dbraw/zinc/45/77/95/432457795.db2.gz LFRGPOFVYHCQQF-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO C[NH2+][C@H](C)Cc1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000261878165 432458385 /nfs/dbraw/zinc/45/83/85/432458385.db2.gz VZEPZLJVJFDIDT-MRVPVSSYSA-N 1 0 318.358 3.010 20 5 DGBDRO Cc1n[nH]cc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271526999 432415209 /nfs/dbraw/zinc/41/52/09/432415209.db2.gz REVBVLVRRZYFIT-BBRMVZONSA-N 1 0 314.389 3.127 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000192806254 432417078 /nfs/dbraw/zinc/41/70/78/432417078.db2.gz VXEHBBURHYNDLD-HZPDHXFCSA-N 1 0 314.389 3.447 20 5 DGBDRO CC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192838313 432421081 /nfs/dbraw/zinc/42/10/81/432421081.db2.gz NZKLHJHNNYKJJO-KRWDZBQOSA-N 1 0 303.406 3.262 20 5 DGBDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000271809798 432423893 /nfs/dbraw/zinc/42/38/93/432423893.db2.gz AONWFSAKUAYBOI-WMLDXEAASA-N 1 0 320.433 3.303 20 5 DGBDRO CC(C)(C)C[C@@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192877892 432425737 /nfs/dbraw/zinc/42/57/37/432425737.db2.gz MEBYSPRZGSZNBR-ZBFHGGJFSA-N 1 0 306.406 3.359 20 5 DGBDRO CCc1nc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cs1 ZINC000184717018 432426536 /nfs/dbraw/zinc/42/65/36/432426536.db2.gz ONJKCHJJVSMIAQ-NSHDSACASA-N 1 0 321.402 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCCO)o2)cc1 ZINC000192907758 432427554 /nfs/dbraw/zinc/42/75/54/432427554.db2.gz UWYBKICUIDEHMM-UHFFFAOYSA-N 1 0 304.346 3.107 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](c1ccco1)N(C)C ZINC000154097255 432471755 /nfs/dbraw/zinc/47/17/55/432471755.db2.gz HIQJTDIDAURBBF-CZUORRHYSA-N 1 0 317.389 3.450 20 5 DGBDRO C[NH2+][C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000262080904 432473535 /nfs/dbraw/zinc/47/35/35/432473535.db2.gz TUKFQMZUWPBAIL-CYBMUJFWSA-N 1 0 315.373 3.039 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000185189914 432474330 /nfs/dbraw/zinc/47/43/30/432474330.db2.gz UUZXQEVUNUQOKB-YOEHRIQHSA-N 1 0 322.405 3.287 20 5 DGBDRO C[NH2+][C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000262118918 432475852 /nfs/dbraw/zinc/47/58/52/432475852.db2.gz XEKRRNPCDCAXEP-CQSZACIVSA-N 1 0 315.373 3.039 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000262298422 432479259 /nfs/dbraw/zinc/47/92/59/432479259.db2.gz OETFCVCTHIQBNN-CYBMUJFWSA-N 1 0 303.406 3.120 20 5 DGBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000193525372 432479683 /nfs/dbraw/zinc/47/96/83/432479683.db2.gz JWNLFMVAYRIXCA-FZKQIMNGSA-N 1 0 319.408 3.258 20 5 DGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000185232258 432481751 /nfs/dbraw/zinc/48/17/51/432481751.db2.gz FFOHZJHXHYTHGG-CQSZACIVSA-N 1 0 314.407 3.114 20 5 DGBDRO CCC[C@H]([NH2+][C@H](C)[C@@H](CO)SC)c1cccc([N+](=O)[O-])c1 ZINC000154282173 432488331 /nfs/dbraw/zinc/48/83/31/432488331.db2.gz UQUQPBLCOSZSOI-BYCMXARLSA-N 1 0 312.435 3.138 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000272397679 432494566 /nfs/dbraw/zinc/49/45/66/432494566.db2.gz DLULFEAXCVYNOE-KRWDZBQOSA-N 1 0 300.358 3.328 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000176204327 432500144 /nfs/dbraw/zinc/50/01/44/432500144.db2.gz OABQWOMMHOQEGX-AWEZNQCLSA-N 1 0 320.780 3.282 20 5 DGBDRO C[C@@H](C1CC1)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176207436 432501187 /nfs/dbraw/zinc/50/11/87/432501187.db2.gz NBFMNFJUWDNVME-AWEZNQCLSA-N 1 0 314.389 3.092 20 5 DGBDRO C[N@@H+](CCc1cccc2ccccc21)CCn1ccc([N+](=O)[O-])n1 ZINC000176224657 432502199 /nfs/dbraw/zinc/50/21/99/432502199.db2.gz IFWTVVVTAMNPPB-UHFFFAOYSA-N 1 0 324.384 3.119 20 5 DGBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176242790 432502969 /nfs/dbraw/zinc/50/29/69/432502969.db2.gz YXJRCNXULBKWGO-INIZCTEOSA-N 1 0 302.378 3.120 20 5 DGBDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000193880869 432507299 /nfs/dbraw/zinc/50/72/99/432507299.db2.gz XZCFHWGMMNHNGS-LZWOXQAQSA-N 1 0 320.389 3.367 20 5 DGBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000262035938 432469248 /nfs/dbraw/zinc/46/92/48/432469248.db2.gz OPRFTPYYVIHKIX-QWHCGFSZSA-N 1 0 315.373 3.037 20 5 DGBDRO C[C@]1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000273096065 432549243 /nfs/dbraw/zinc/54/92/43/432549243.db2.gz URXFHNUKQXKNKX-GJZGRUSLSA-N 1 0 310.781 3.295 20 5 DGBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000263656949 432562766 /nfs/dbraw/zinc/56/27/66/432562766.db2.gz CXHBXWPZTWMLEK-GOSISDBHSA-N 1 0 312.369 3.341 20 5 DGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000185658716 432520447 /nfs/dbraw/zinc/52/04/47/432520447.db2.gz CXZXDJKHNTUXBJ-BXUZGUMPSA-N 1 0 316.361 3.265 20 5 DGBDRO Cn1ccnc1[C@H]([NH2+]CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272558478 432524935 /nfs/dbraw/zinc/52/49/35/432524935.db2.gz SUHIFQUGNNEHPZ-MRXNPFEDSA-N 1 0 314.389 3.198 20 5 DGBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000272578020 432528248 /nfs/dbraw/zinc/52/82/48/432528248.db2.gz XMEDHKOGQUWENR-CHWSQXEVSA-N 1 0 316.357 3.058 20 5 DGBDRO NC(=O)[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000157149083 432615150 /nfs/dbraw/zinc/61/51/50/432615150.db2.gz AWEPAFIKPPZAIS-INIZCTEOSA-N 1 0 304.393 3.300 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(C)(C)C ZINC000263784469 432576174 /nfs/dbraw/zinc/57/61/74/432576174.db2.gz MFEWORHGEGTCSM-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO C[C@@H]([N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(C)CC1 ZINC000177228319 432601106 /nfs/dbraw/zinc/60/11/06/432601106.db2.gz JRBQTFJTIYMBCO-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO C/C=C/C[C@H](CO)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186506499 432602970 /nfs/dbraw/zinc/60/29/70/432602970.db2.gz XQPWWPTZUMALPE-JDTDYZPYSA-N 1 0 318.417 3.223 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cccc(CO)c1)c1cccc([N+](=O)[O-])c1 ZINC000177841890 432668857 /nfs/dbraw/zinc/66/88/57/432668857.db2.gz UAUYCYIJGRATCX-QGZVFWFLSA-N 1 0 300.358 3.328 20 5 DGBDRO CO[C@H](C)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000274373620 432659005 /nfs/dbraw/zinc/65/90/05/432659005.db2.gz QTLJLTJOFBKRRO-FMKPAKJESA-N 1 0 306.406 3.321 20 5 DGBDRO COc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000177841784 432666453 /nfs/dbraw/zinc/66/64/53/432666453.db2.gz CGHJYXYVZYNINQ-GFCCVEGCSA-N 1 0 301.346 3.158 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000178179356 432702954 /nfs/dbraw/zinc/70/29/54/432702954.db2.gz ATPFNGMJDYRZEG-HNNXBMFYSA-N 1 0 318.352 3.152 20 5 DGBDRO C[C@@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000265652843 432719323 /nfs/dbraw/zinc/71/93/23/432719323.db2.gz OEAAMHXKXIXKHA-NSHDSACASA-N 1 0 306.387 3.184 20 5 DGBDRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000274469215 432672465 /nfs/dbraw/zinc/67/24/65/432672465.db2.gz JGSCYNJFCVSUEV-VIFPVBQESA-N 1 0 310.304 3.117 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCSC2)o1 ZINC000266164001 432752707 /nfs/dbraw/zinc/75/27/07/432752707.db2.gz OQPIPEUZMWOSGC-NSHDSACASA-N 1 0 304.371 3.450 20 5 DGBDRO Cc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000161057126 432756488 /nfs/dbraw/zinc/75/64/88/432756488.db2.gz BWBPSHVECWOKHP-BPUTZDHNSA-N 1 0 305.422 3.427 20 5 DGBDRO Cc1c([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000161072864 432758092 /nfs/dbraw/zinc/75/80/92/432758092.db2.gz LPNLLLOYIKHTRS-KFWWJZLASA-N 1 0 305.422 3.427 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161072483 432758356 /nfs/dbraw/zinc/75/83/56/432758356.db2.gz ALEVFIGBPFXJTG-ZNMIVQPWSA-N 1 0 305.422 3.427 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1cnn(C)c1 ZINC000266534248 432762631 /nfs/dbraw/zinc/76/26/31/432762631.db2.gz NBSMBVKSDQAWQU-SWLSCSKDSA-N 1 0 300.362 3.226 20 5 DGBDRO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680773 432766049 /nfs/dbraw/zinc/76/60/49/432766049.db2.gz UBHJKKOUBAWFAS-STQMWFEESA-N 1 0 321.421 3.247 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C)cc1[N+](=O)[O-] ZINC000178686653 432767335 /nfs/dbraw/zinc/76/73/35/432767335.db2.gz VSMIHZRDMBAEFR-KBPBESRZSA-N 1 0 321.421 3.105 20 5 DGBDRO CCC[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000161213127 432767328 /nfs/dbraw/zinc/76/73/28/432767328.db2.gz PCKNRLFYKYLUON-UHFFFAOYSA-N 1 0 304.346 3.059 20 5 DGBDRO CCOc1cc(NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000178382845 432729714 /nfs/dbraw/zinc/72/97/14/432729714.db2.gz HINGLSNDNXUIAB-UHFFFAOYSA-N 1 0 319.405 3.280 20 5 DGBDRO COc1ccc(C[NH2+][C@@](C)(CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000265785139 432731299 /nfs/dbraw/zinc/73/12/99/432731299.db2.gz PGDMLWWLWNNCLX-KRWDZBQOSA-N 1 0 322.405 3.024 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1O ZINC000178411047 432731504 /nfs/dbraw/zinc/73/15/04/432731504.db2.gz DNCUPWXKFFVVRT-NSHDSACASA-N 1 0 302.330 3.160 20 5 DGBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000188795586 432745749 /nfs/dbraw/zinc/74/57/49/432745749.db2.gz PWZYOIAVQLWNRP-XLNGHYISSA-N 1 0 318.417 3.463 20 5 DGBDRO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000161607507 432788785 /nfs/dbraw/zinc/78/87/85/432788785.db2.gz OIBVFKBCACNMSQ-CWRNSKLLSA-N 1 0 303.406 3.181 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000276258286 432789880 /nfs/dbraw/zinc/78/98/80/432789880.db2.gz ARTSGNSLIWJRAB-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO CCC[N@H+](C)C[C@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849571 432790966 /nfs/dbraw/zinc/79/09/66/432790966.db2.gz BZSKUDPOHLGWCO-HUUCEWRRSA-N 1 0 305.422 3.320 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849568 432791446 /nfs/dbraw/zinc/79/14/46/432791446.db2.gz BZSKUDPOHLGWCO-GJZGRUSLSA-N 1 0 305.422 3.320 20 5 DGBDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266821154 432791876 /nfs/dbraw/zinc/79/18/76/432791876.db2.gz ZJJUBYGDUWCXBY-CXAGYDPISA-N 1 0 300.358 3.369 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000162008667 432807872 /nfs/dbraw/zinc/80/78/72/432807872.db2.gz YLXHBAFPWCTCFI-JJXSEGSLSA-N 1 0 304.390 3.449 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CC(F)(F)C2)c1 ZINC000277595644 432862886 /nfs/dbraw/zinc/86/28/86/432862886.db2.gz ICRDTXHIPKXOOA-UHFFFAOYSA-N 1 0 308.231 3.084 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000268311316 432863690 /nfs/dbraw/zinc/86/36/90/432863690.db2.gz BRXSYECKUZCUNM-GFCCVEGCSA-N 1 0 323.393 3.112 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000245897132 432867711 /nfs/dbraw/zinc/86/77/11/432867711.db2.gz KNWATDMQGDDCBK-NWDGAFQWSA-N 1 0 316.361 3.123 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000296247031 432888432 /nfs/dbraw/zinc/88/84/32/432888432.db2.gz CTLXNPIVKLTEHM-CHWSQXEVSA-N 1 0 310.394 3.195 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000163324298 432849696 /nfs/dbraw/zinc/84/96/96/432849696.db2.gz UEUZTSTYJNKWKP-CYBMUJFWSA-N 1 0 323.824 3.308 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOC[C@H]1CCCO1 ZINC000163497185 432854095 /nfs/dbraw/zinc/85/40/95/432854095.db2.gz MARDWPNBFMLKAL-GDBMZVCRSA-N 1 0 322.405 3.140 20 5 DGBDRO CCn1nccc1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000279034249 432928396 /nfs/dbraw/zinc/92/83/96/432928396.db2.gz IIWRGDJLFXNQJX-UHFFFAOYSA-N 1 0 314.389 3.191 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000279044419 432929099 /nfs/dbraw/zinc/92/90/99/432929099.db2.gz XMKBFPHTOUGERP-KGLIPLIRSA-N 1 0 314.389 3.013 20 5 DGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000331085203 432929152 /nfs/dbraw/zinc/92/91/52/432929152.db2.gz OKUCTVACFJIZON-CVEARBPZSA-N 1 0 310.369 3.417 20 5 DGBDRO CCN1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279097976 432934256 /nfs/dbraw/zinc/93/42/56/432934256.db2.gz OBOMYTSQEJUKJH-QGZVFWFLSA-N 1 0 317.433 3.391 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2cscn2)C2CC2)c1 ZINC000296894623 432936632 /nfs/dbraw/zinc/93/66/32/432936632.db2.gz YJHHOYAPWDNNPU-UHFFFAOYSA-N 1 0 303.387 3.258 20 5 DGBDRO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279193600 432943718 /nfs/dbraw/zinc/94/37/18/432943718.db2.gz WQEHQWJKPGYVMD-XFBWCDHKSA-N 1 0 304.390 3.332 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000296354827 432900232 /nfs/dbraw/zinc/90/02/32/432900232.db2.gz RWBKXWLUBNSYEJ-YUTCNCBUSA-N 1 0 310.781 3.151 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000278893427 432913744 /nfs/dbraw/zinc/91/37/44/432913744.db2.gz YSRNZOYGXVESJD-HOTGVXAUSA-N 1 0 316.357 3.197 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000278893431 432914435 /nfs/dbraw/zinc/91/44/35/432914435.db2.gz YSRNZOYGXVESJD-JKSUJKDBSA-N 1 0 316.357 3.197 20 5 DGBDRO CCC1(O)CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000330608644 432919099 /nfs/dbraw/zinc/91/90/99/432919099.db2.gz LGUXHQCUVZUDKH-UHFFFAOYSA-N 1 0 306.406 3.455 20 5 DGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000332069105 432970032 /nfs/dbraw/zinc/97/00/32/432970032.db2.gz USFKXNBTPSVPIK-INIZCTEOSA-N 1 0 317.389 3.330 20 5 DGBDRO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000332080974 432971182 /nfs/dbraw/zinc/97/11/82/432971182.db2.gz KXUUVWLDBUNEOB-WCQYABFASA-N 1 0 316.361 3.145 20 5 DGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CC=CCC1 ZINC000332137621 432977674 /nfs/dbraw/zinc/97/76/74/432977674.db2.gz JSIVWNJNVZIQDH-CYBMUJFWSA-N 1 0 318.373 3.249 20 5 DGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000279555370 432982311 /nfs/dbraw/zinc/98/23/11/432982311.db2.gz RHGYTSXQYURUKX-KOLCDFICSA-N 1 0 318.295 3.128 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290077428 432987888 /nfs/dbraw/zinc/98/78/88/432987888.db2.gz YTLBCDUKJSCGHX-AAEUAGOBSA-N 1 0 320.780 3.453 20 5 DGBDRO C[C@H]1C[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C[N@@H+]1C1CC1 ZINC000297498702 432997158 /nfs/dbraw/zinc/99/71/58/432997158.db2.gz MYGUZHWLXXTTAQ-WCQYABFASA-N 1 0 312.373 3.180 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331653515 432955999 /nfs/dbraw/zinc/95/59/99/432955999.db2.gz RFJRWUJVLOHWLU-UONOGXRCSA-N 1 0 320.418 3.435 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000279364720 432960322 /nfs/dbraw/zinc/96/03/22/432960322.db2.gz WOCARRGXIWDKIK-XJKSGUPXSA-N 1 0 322.405 3.023 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000332440320 433006457 /nfs/dbraw/zinc/00/64/57/433006457.db2.gz INISQUQFYVMMRW-GFCCVEGCSA-N 1 0 300.362 3.259 20 5 DGBDRO Cn1cc(C[NH2+][C@H]2CCC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290213552 433014302 /nfs/dbraw/zinc/01/43/02/433014302.db2.gz WCGQUOBEVZFOTF-HNNXBMFYSA-N 1 0 314.389 3.274 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000290362765 433038153 /nfs/dbraw/zinc/03/81/53/433038153.db2.gz QUYSYJIYIRLJKT-DCGLDWPTSA-N 1 0 300.358 3.368 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2c[nH]c3nccnc23)C2CC2)c1 ZINC000290430625 433050792 /nfs/dbraw/zinc/05/07/92/433050792.db2.gz MYTKAMSZEPWNRM-UHFFFAOYSA-N 1 0 323.356 3.031 20 5 DGBDRO C[C@H](c1ccccn1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361263966 433068527 /nfs/dbraw/zinc/06/85/27/433068527.db2.gz YPGWIDIWDRXYFR-LLVKDONJSA-N 1 0 311.345 3.059 20 5 DGBDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000350121562 433085044 /nfs/dbraw/zinc/08/50/44/433085044.db2.gz HWRYZCHBNZAENL-AWEZNQCLSA-N 1 0 302.378 3.101 20 5 DGBDRO [NH3+]CC[C@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420238795 433134676 /nfs/dbraw/zinc/13/46/76/433134676.db2.gz HUMBHAOZLIUTGR-SECBINFHSA-N 1 0 318.204 3.467 20 5 DGBDRO Cn1cc(C[NH2+]CCC2(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000280697634 433142792 /nfs/dbraw/zinc/14/27/92/433142792.db2.gz WCEDQMGNDYGPDK-UHFFFAOYSA-N 1 0 314.389 3.275 20 5 DGBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000420277087 433145022 /nfs/dbraw/zinc/14/50/22/433145022.db2.gz IDBUFACNEPBWHI-ZAQWFSBCSA-N 1 0 312.373 3.071 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCC[C@H]1CCOC1)C1CC1 ZINC000453391016 433151029 /nfs/dbraw/zinc/15/10/29/433151029.db2.gz XVKQXHQNOXQZSN-YOEHRIQHSA-N 1 0 318.417 3.322 20 5 DGBDRO C[C@@H](CCO)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000350247446 433117124 /nfs/dbraw/zinc/11/71/24/433117124.db2.gz KQMDCULFPQUYBN-LBPRGKRZSA-N 1 0 310.369 3.012 20 5 DGBDRO Cc1cc(N[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420182730 433118843 /nfs/dbraw/zinc/11/88/43/433118843.db2.gz KFMMQTIREWHTEF-SECBINFHSA-N 1 0 303.284 3.086 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCC[C@H]1CC[NH2+]C1 ZINC000420180068 433119500 /nfs/dbraw/zinc/11/95/00/433119500.db2.gz CACFAQCKXYLYBY-MRVPVSSYSA-N 1 0 304.177 3.313 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@H]3C3CC3)nc2c1 ZINC000446858088 433120733 /nfs/dbraw/zinc/12/07/33/433120733.db2.gz YNYVWLHVYAVJLA-QWHCGFSZSA-N 1 0 300.362 3.139 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])O1 ZINC000453413346 433168810 /nfs/dbraw/zinc/16/88/10/433168810.db2.gz RQRRFAVZIAKSRQ-MUIFIZLQSA-N 1 0 318.417 3.463 20 5 DGBDRO CN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290820229 433177788 /nfs/dbraw/zinc/17/77/88/433177788.db2.gz GXKIUDVTSKCOTJ-LLVKDONJSA-N 1 0 318.204 3.085 20 5 DGBDRO [NH3+]CCCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000336716879 433184826 /nfs/dbraw/zinc/18/48/26/433184826.db2.gz PTZQAYLUWBVQCU-UHFFFAOYSA-N 1 0 317.364 3.085 20 5 DGBDRO C[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000447572605 433231348 /nfs/dbraw/zinc/23/13/48/433231348.db2.gz OTJCSUZKIUHMLH-AWEZNQCLSA-N 1 0 305.422 3.367 20 5 DGBDRO CCOc1cc(NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000420627976 433234604 /nfs/dbraw/zinc/23/46/04/433234604.db2.gz OLMJNALZNRXXSV-UHFFFAOYSA-N 1 0 307.394 3.278 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000447798424 433280704 /nfs/dbraw/zinc/28/07/04/433280704.db2.gz WMPUCLCLLKORIO-BBRMVZONSA-N 1 0 305.422 3.366 20 5 DGBDRO CC(C)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000299378895 433363108 /nfs/dbraw/zinc/36/31/08/433363108.db2.gz GTUVUSXNKLYPHU-UHFFFAOYSA-N 1 0 319.405 3.094 20 5 DGBDRO C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC000339107919 433367072 /nfs/dbraw/zinc/36/70/72/433367072.db2.gz LAQHGJTVEAUXTG-UHFFFAOYSA-N 1 0 312.369 3.464 20 5 DGBDRO CC[N@H+](CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C(C)C ZINC000361870929 433431642 /nfs/dbraw/zinc/43/16/42/433431642.db2.gz FZVKIXCUQUYILZ-UHFFFAOYSA-N 1 0 322.409 3.063 20 5 DGBDRO C[C@@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000351144857 433388870 /nfs/dbraw/zinc/38/88/70/433388870.db2.gz JCELGBCHBONVPG-BBBLOLIVSA-N 1 0 306.322 3.172 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000301076037 433405125 /nfs/dbraw/zinc/40/51/25/433405125.db2.gz IVNDFAOIUOFYSC-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1cc(NCc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301119204 433420116 /nfs/dbraw/zinc/42/01/16/433420116.db2.gz QZCTXQBNVDMFFT-UHFFFAOYSA-N 1 0 321.340 3.367 20 5 DGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301117697 433420998 /nfs/dbraw/zinc/42/09/98/433420998.db2.gz VXHQWQSKSKGOBT-VXGBXAGGSA-N 1 0 322.365 3.035 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285248603 290021407 /nfs/dbraw/zinc/02/14/07/290021407.db2.gz PVCKOUZOPLQWCJ-NORZTCDRSA-N 1 0 321.421 3.421 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2CC)cc1[N+](=O)[O-] ZINC000414206935 433463424 /nfs/dbraw/zinc/46/34/24/433463424.db2.gz KGILEKCITXPQHX-LNSITVRQSA-N 1 0 308.378 3.212 20 5 DGBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)C ZINC000339256679 433470450 /nfs/dbraw/zinc/47/04/50/433470450.db2.gz LLJGVTFKZFPERZ-UHFFFAOYSA-N 1 0 304.350 3.123 20 5 DGBDRO CC[NH+](CC)CCSCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361971218 433475505 /nfs/dbraw/zinc/47/55/05/433475505.db2.gz KKLRPDXOGLAXQW-UHFFFAOYSA-N 1 0 308.407 3.046 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000355175239 433510100 /nfs/dbraw/zinc/51/01/00/433510100.db2.gz LUPBYRPUMCMURF-JKSUJKDBSA-N 1 0 304.390 3.374 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000355175236 433511895 /nfs/dbraw/zinc/51/18/95/433511895.db2.gz LUPBYRPUMCMURF-HZPDHXFCSA-N 1 0 304.390 3.374 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000414297822 433525209 /nfs/dbraw/zinc/52/52/09/433525209.db2.gz PTMHNTVMDLCEEW-QRTARXTBSA-N 1 0 308.422 3.301 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000351489542 433528115 /nfs/dbraw/zinc/52/81/15/433528115.db2.gz CMJCHFMGDQJFEX-DLBZAZTESA-N 1 0 322.405 3.023 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1[N+](=O)[O-] ZINC000414303428 433529786 /nfs/dbraw/zinc/52/97/86/433529786.db2.gz PHGXAMNNMPRHOC-QKCSRTOESA-N 1 0 314.332 3.103 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000342197123 433532986 /nfs/dbraw/zinc/53/29/86/433532986.db2.gz STQGAYKVHSMUBW-UHFFFAOYSA-N 1 0 312.325 3.102 20 5 DGBDRO Cc1cc(N2CC[C@@H](n3cccn3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000292187404 433500337 /nfs/dbraw/zinc/50/03/37/433500337.db2.gz BLWWXKCDFPIWTF-CQSZACIVSA-N 1 0 323.356 3.099 20 5 DGBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C)C1 ZINC000362153914 433550370 /nfs/dbraw/zinc/55/03/70/433550370.db2.gz YVKORNWWPBKISL-PBHICJAKSA-N 1 0 306.406 3.274 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]2c2ccco2)n1 ZINC000414335310 433550637 /nfs/dbraw/zinc/55/06/37/433550637.db2.gz CAHSVSRSKWHALG-XJFOESAGSA-N 1 0 316.361 3.014 20 5 DGBDRO CCOc1ccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc1[N+](=O)[O-] ZINC000339389645 433555372 /nfs/dbraw/zinc/55/53/72/433555372.db2.gz IDTAMOMPGJTJEM-NSHDSACASA-N 1 0 320.349 3.089 20 5 DGBDRO CC[NH+](CC)CCCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000355935726 433558041 /nfs/dbraw/zinc/55/80/41/433558041.db2.gz FABLOEKHUBDYOY-UHFFFAOYSA-N 1 0 302.378 3.190 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH+](C2CCC2)C2CCC2)c2c(c1)COCO2 ZINC000292459059 433567221 /nfs/dbraw/zinc/56/72/21/433567221.db2.gz QGHSBDZWQFVVNP-UHFFFAOYSA-N 1 0 318.373 3.368 20 5 DGBDRO Cc1ncsc1CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282359208 433578831 /nfs/dbraw/zinc/57/88/31/433578831.db2.gz DELLOVMHCWISEL-UHFFFAOYSA-N 1 0 305.403 3.077 20 5 DGBDRO Cc1nccnc1CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000339528835 433638889 /nfs/dbraw/zinc/63/88/89/433638889.db2.gz LILDKJDBOCQFNP-UHFFFAOYSA-N 1 0 314.389 3.149 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000301611965 433639583 /nfs/dbraw/zinc/63/95/83/433639583.db2.gz FFAWGUWYPNFWIU-UKRRQHHQSA-N 1 0 312.373 3.065 20 5 DGBDRO C[NH+](C)Cc1ccc(NCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000414482906 433649014 /nfs/dbraw/zinc/64/90/14/433649014.db2.gz DYHLSRNWXVYKHP-UHFFFAOYSA-N 1 0 303.337 3.408 20 5 DGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000163166539 292864773 /nfs/dbraw/zinc/86/47/73/292864773.db2.gz DCDHRDRXOLSRSV-CJNGLKHVSA-N 1 0 319.405 3.116 20 5 DGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000163166783 292865268 /nfs/dbraw/zinc/86/52/68/292865268.db2.gz DCDHRDRXOLSRSV-CZUORRHYSA-N 1 0 319.405 3.116 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)O ZINC000293185492 433645487 /nfs/dbraw/zinc/64/54/87/433645487.db2.gz WVDMIDNKIPKQRX-MRXNPFEDSA-N 1 0 318.373 3.494 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000339466185 433603212 /nfs/dbraw/zinc/60/32/12/433603212.db2.gz IIOGZXOMJOOSFE-KRWDZBQOSA-N 1 0 322.405 3.024 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000320806990 292898171 /nfs/dbraw/zinc/89/81/71/292898171.db2.gz HUMOLYFBCKZIIQ-SOUVJXGZSA-N 1 0 306.406 3.353 20 5 DGBDRO CC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000351731314 433692641 /nfs/dbraw/zinc/69/26/41/433692641.db2.gz VGNRWBOEEZPTBZ-HNNXBMFYSA-N 1 0 314.332 3.168 20 5 DGBDRO Cc1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301697469 433681140 /nfs/dbraw/zinc/68/11/40/433681140.db2.gz BXTZAPSEZABBBH-GASCZTMLSA-N 1 0 321.421 3.205 20 5 DGBDRO CC(C)[C@@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000414525351 433688930 /nfs/dbraw/zinc/68/89/30/433688930.db2.gz JKNWMLUQXPVYHT-INIZCTEOSA-N 1 0 304.390 3.232 20 5 DGBDRO CC[C@H]([NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414526695 433690982 /nfs/dbraw/zinc/69/09/82/433690982.db2.gz LRWDYELZWXLSSL-MQZKNQHPSA-N 1 0 306.406 3.383 20 5 DGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000301720426 433691623 /nfs/dbraw/zinc/69/16/23/433691623.db2.gz PVGRJBSMJFNPFU-WCQYABFASA-N 1 0 309.797 3.169 20 5 DGBDRO CC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000351731315 433691946 /nfs/dbraw/zinc/69/19/46/433691946.db2.gz VGNRWBOEEZPTBZ-OAHLLOKOSA-N 1 0 314.332 3.168 20 5 DGBDRO CCc1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000283061469 433651913 /nfs/dbraw/zinc/65/19/13/433651913.db2.gz PPDDMNAGOJTNDU-UHFFFAOYSA-N 1 0 305.403 3.288 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000283246822 433697602 /nfs/dbraw/zinc/69/76/02/433697602.db2.gz JRWMPNLJHRAKTM-OLZOCXBDSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000367436487 293071818 /nfs/dbraw/zinc/07/18/18/293071818.db2.gz GFEJCMAFYBDOBP-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO Cc1n[nH]cc1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000367459702 293075978 /nfs/dbraw/zinc/07/59/78/293075978.db2.gz VKRCEXPIPRQIDO-UHFFFAOYSA-N 1 0 314.389 3.048 20 5 DGBDRO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000301731535 433699869 /nfs/dbraw/zinc/69/98/69/433699869.db2.gz DWWHQXRVIKJLAG-WDEREUQCSA-N 1 0 312.801 3.176 20 5 DGBDRO C[C@@H]1[C@H](C)N(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000356798661 433702246 /nfs/dbraw/zinc/70/22/46/433702246.db2.gz RILUTDJCCXDPNB-ZJUUUORDSA-N 1 0 317.311 3.142 20 5 DGBDRO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000301749454 433707705 /nfs/dbraw/zinc/70/77/05/433707705.db2.gz AABGDJANBDIUHR-RDTXWAMCSA-N 1 0 315.417 3.356 20 5 DGBDRO Cc1ccc(F)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373293126 293257746 /nfs/dbraw/zinc/25/77/46/293257746.db2.gz MLEHXFJTQFSILR-UHFFFAOYSA-N 1 0 318.352 3.076 20 5 DGBDRO COc1ccccc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059965 433717252 /nfs/dbraw/zinc/71/72/52/433717252.db2.gz DMEHJPWVKDLWEI-ZDUSSCGKSA-N 1 0 300.358 3.324 20 5 DGBDRO Cc1cc(C)n(CCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449058707 433717621 /nfs/dbraw/zinc/71/76/21/433717621.db2.gz LLOUKQYSKFHCQB-CYBMUJFWSA-N 1 0 316.405 3.019 20 5 DGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000301782140 433719538 /nfs/dbraw/zinc/71/95/38/433719538.db2.gz JWOQHDZJWWTHJE-NSHDSACASA-N 1 0 313.348 3.184 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449061495 433721031 /nfs/dbraw/zinc/72/10/31/433721031.db2.gz GLGDPIZEWPQNEJ-ZDUSSCGKSA-N 1 0 300.358 3.324 20 5 DGBDRO Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301800308 433729315 /nfs/dbraw/zinc/72/93/15/433729315.db2.gz VNDDHGGOTHIBAH-GOEBONIOSA-N 1 0 315.417 3.356 20 5 DGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449759298 433773746 /nfs/dbraw/zinc/77/37/46/433773746.db2.gz XQTAQCQCKKFNLZ-FRFSOERESA-N 1 0 306.406 3.463 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000362618804 433790276 /nfs/dbraw/zinc/79/02/76/433790276.db2.gz AVPMIURNQVLRSK-HWKANZROSA-N 1 0 312.373 3.211 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCc2cc(F)ccc2C1 ZINC000351928486 433796846 /nfs/dbraw/zinc/79/68/46/433796846.db2.gz TZUUDPWFKBVDHQ-UHFFFAOYSA-N 1 0 316.332 3.301 20 5 DGBDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000449783827 433799264 /nfs/dbraw/zinc/79/92/64/433799264.db2.gz SABGPFNMUUKTOF-GFCCVEGCSA-N 1 0 318.348 3.463 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CC3(CCOCC3)[C@H]2C2CC2)cs1 ZINC000293639409 433809753 /nfs/dbraw/zinc/80/97/53/433809753.db2.gz MCBOSYCQWJKHQO-CQSZACIVSA-N 1 0 308.403 3.047 20 5 DGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000432146585 433819534 /nfs/dbraw/zinc/81/95/34/433819534.db2.gz CAUKXDACXNLABM-ZOWXZIJZSA-N 1 0 323.824 3.415 20 5 DGBDRO Cc1ccc(CN(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000357015489 433819695 /nfs/dbraw/zinc/81/96/95/433819695.db2.gz XBAGEUFCGFJCCX-UHFFFAOYSA-N 1 0 307.438 3.454 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000293685921 433828256 /nfs/dbraw/zinc/82/82/56/433828256.db2.gz KSCUHWXCOIUUBI-BDJLRTHQSA-N 1 0 308.378 3.069 20 5 DGBDRO CC[C@]1(C)CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000302649525 433829344 /nfs/dbraw/zinc/82/93/44/433829344.db2.gz JSPFHQUFQMLEBC-QGZVFWFLSA-N 1 0 315.373 3.457 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)C1CCC1 ZINC000357025563 433830001 /nfs/dbraw/zinc/83/00/01/433830001.db2.gz ANFGTZDUTDSMFP-ZDUSSCGKSA-N 1 0 319.405 3.352 20 5 DGBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000293724295 433840239 /nfs/dbraw/zinc/84/02/39/433840239.db2.gz VXKISHFFPRDUJF-ZDUSSCGKSA-N 1 0 300.358 3.064 20 5 DGBDRO Cc1nccn1CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433171830 433841356 /nfs/dbraw/zinc/84/13/56/433841356.db2.gz BKHFCMUGBRWTMP-MRXNPFEDSA-N 1 0 314.389 3.112 20 5 DGBDRO CN1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433142880 433842203 /nfs/dbraw/zinc/84/22/03/433842203.db2.gz GCLVXYNVNPECHT-CJNGLKHVSA-N 1 0 303.406 3.001 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC(F)(F)[C@@H](C)C1 ZINC000351996722 433847453 /nfs/dbraw/zinc/84/74/53/433847453.db2.gz PMTFNKHCTVPRCO-JTQLQIEISA-N 1 0 300.305 3.081 20 5 DGBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284176038 433851236 /nfs/dbraw/zinc/85/12/36/433851236.db2.gz QTTHNFQNNOAFIO-LBPRGKRZSA-N 1 0 315.373 3.427 20 5 DGBDRO CCCC[C@@H](C[NH3+])NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414812371 433853436 /nfs/dbraw/zinc/85/34/36/433853436.db2.gz KVUPKVVPSMCMES-AWEZNQCLSA-N 1 0 317.389 3.462 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000352017152 433861707 /nfs/dbraw/zinc/86/17/07/433861707.db2.gz DDOQAEJEWHIXHF-QGZVFWFLSA-N 1 0 323.396 3.232 20 5 DGBDRO COc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284244783 433868422 /nfs/dbraw/zinc/86/84/22/433868422.db2.gz VISCIILSZCIZBT-GFCCVEGCSA-N 1 0 315.373 3.345 20 5 DGBDRO [NH3+]C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1 ZINC000414880519 433901817 /nfs/dbraw/zinc/90/18/17/433901817.db2.gz QWKWJPDFTYRAPM-UHFFFAOYSA-N 1 0 317.414 3.294 20 5 DGBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414920484 433917350 /nfs/dbraw/zinc/91/73/50/433917350.db2.gz XTJYCVOGSAGEDN-AWEZNQCLSA-N 1 0 303.387 3.406 20 5 DGBDRO C[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]1 ZINC000414948676 433932113 /nfs/dbraw/zinc/93/21/13/433932113.db2.gz MNRJMJYCEYDLOA-OCCSQVGLSA-N 1 0 315.373 3.085 20 5 DGBDRO C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285396413 433932309 /nfs/dbraw/zinc/93/23/09/433932309.db2.gz WZTZGHZXJTWSEC-QWHCGFSZSA-N 1 0 321.421 3.016 20 5 DGBDRO C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000302855900 433886645 /nfs/dbraw/zinc/88/66/45/433886645.db2.gz RXCNUQLWUBJTHU-QWHCGFSZSA-N 1 0 318.421 3.095 20 5 DGBDRO C[NH2+]CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414859829 433887713 /nfs/dbraw/zinc/88/77/13/433887713.db2.gz NXPZXNGOMUEJHG-UHFFFAOYSA-N 1 0 323.780 3.207 20 5 DGBDRO C[C@H](CCNc1c2c(ccc1[N+](=O)[O-])NCC2)[NH+]1CCCCC1 ZINC000302879975 433892961 /nfs/dbraw/zinc/89/29/61/433892961.db2.gz IBTZPQZKBCGUPY-CYBMUJFWSA-N 1 0 318.421 3.239 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000436405005 433957610 /nfs/dbraw/zinc/95/76/10/433957610.db2.gz FYINGNXOEMPVQD-MWLCHTKSSA-N 1 0 300.305 3.474 20 5 DGBDRO Cc1ncsc1CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285399849 433936923 /nfs/dbraw/zinc/93/69/23/433936923.db2.gz TXJXMFUFRQBTKT-UHFFFAOYSA-N 1 0 305.403 3.077 20 5 DGBDRO CC(C)c1ccc(CN[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000414960950 433939636 /nfs/dbraw/zinc/93/96/36/433939636.db2.gz AYGLCPKPGOFWIR-INIZCTEOSA-N 1 0 305.422 3.196 20 5 DGBDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000377964825 434046891 /nfs/dbraw/zinc/04/68/91/434046891.db2.gz VZDLMULUODPPHB-UKRRQHHQSA-N 1 0 314.389 3.328 20 5 DGBDRO C[N@H+](CCNc1nccc2c1cccc2[N+](=O)[O-])C1CCCC1 ZINC000450309904 434098296 /nfs/dbraw/zinc/09/82/96/434098296.db2.gz BCTIYLJTRXQISB-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000450254001 434055332 /nfs/dbraw/zinc/05/53/32/434055332.db2.gz RMDUSONUUKVQGO-STQMWFEESA-N 1 0 312.373 3.182 20 5 DGBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285942780 434114465 /nfs/dbraw/zinc/11/44/65/434114465.db2.gz MFWWCMHKQFTXSB-TZMCWYRMSA-N 1 0 310.369 3.249 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285984056 434126684 /nfs/dbraw/zinc/12/66/84/434126684.db2.gz FMXSYANQNBDQDB-IUODEOHRSA-N 1 0 305.378 3.010 20 5 DGBDRO CC[C@@H]1C[C@@]1([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C)c1 ZINC000502483466 294166373 /nfs/dbraw/zinc/16/63/73/294166373.db2.gz ITVYKJKHGYNDAK-PBHICJAKSA-N 1 0 314.389 3.015 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000503889940 294203476 /nfs/dbraw/zinc/20/34/76/294203476.db2.gz DWZPLBHVPUNEQJ-OASPWFOLSA-N 1 0 300.305 3.406 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000504894843 294223418 /nfs/dbraw/zinc/22/34/18/294223418.db2.gz PBIRNNQRULEEMD-KNXALSJPSA-N 1 0 322.405 3.458 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)COC ZINC000504922249 294224732 /nfs/dbraw/zinc/22/47/32/294224732.db2.gz ZZRKOOJCOYUDNN-QWHCGFSZSA-N 1 0 312.435 3.480 20 5 DGBDRO CC(C)C[NH+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000506175774 294264802 /nfs/dbraw/zinc/26/48/02/294264802.db2.gz IHWDDTVOMZQKOU-UHFFFAOYSA-N 1 0 321.421 3.172 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450370359 434136197 /nfs/dbraw/zinc/13/61/97/434136197.db2.gz XQVAKFZJHYRGBO-OLZOCXBDSA-N 1 0 314.389 3.428 20 5 DGBDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000286035942 434143516 /nfs/dbraw/zinc/14/35/16/434143516.db2.gz QOKBLTZSFDGCKY-UKRRQHHQSA-N 1 0 322.405 3.119 20 5 DGBDRO Cc1c([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363791581 434148117 /nfs/dbraw/zinc/14/81/17/434148117.db2.gz JWIRHWMUKMFAEY-RRFJBIMHSA-N 1 0 303.406 3.181 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)C1CCCC1)CCC2 ZINC000353485633 434170931 /nfs/dbraw/zinc/17/09/31/434170931.db2.gz UPGUQJQZDSXAJS-IAGOWNOFSA-N 1 0 304.390 3.113 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357774943 434174138 /nfs/dbraw/zinc/17/41/38/434174138.db2.gz NJBAEOAFSNZORQ-LBPRGKRZSA-N 1 0 317.393 3.070 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1scnc1C ZINC000295087278 434191300 /nfs/dbraw/zinc/19/13/00/434191300.db2.gz SRYRLJBSMMVGQI-UHFFFAOYSA-N 1 0 321.402 3.091 20 5 DGBDRO C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000513822067 294485368 /nfs/dbraw/zinc/48/53/68/294485368.db2.gz VXVHVXAZEZQCMI-QBIMZIAESA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1nc(NC(C)(C)CC[NH+]2CCCCCC2)ncc1[N+](=O)[O-] ZINC000450453833 434196258 /nfs/dbraw/zinc/19/62/58/434196258.db2.gz JYCIKPXPPUADMP-UHFFFAOYSA-N 1 0 321.425 3.150 20 5 DGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000295098610 434200138 /nfs/dbraw/zinc/20/01/38/434200138.db2.gz SKBKCDRNPPFZPS-INIZCTEOSA-N 1 0 320.776 3.414 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(n2cccn2)CC1 ZINC000378506249 434205771 /nfs/dbraw/zinc/20/57/71/434205771.db2.gz HCZFHUMJIJEEOF-AWEZNQCLSA-N 1 0 314.389 3.498 20 5 DGBDRO COc1cc(CN2CCSCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000286255755 434207296 /nfs/dbraw/zinc/20/72/96/434207296.db2.gz SMHCNXPNANVWEE-JTQLQIEISA-N 1 0 314.382 3.070 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000437044825 434207573 /nfs/dbraw/zinc/20/75/73/434207573.db2.gz IXWOLFULNDXTPK-MBNYWOFBSA-N 1 0 305.378 3.090 20 5 DGBDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295112489 434210549 /nfs/dbraw/zinc/21/05/49/434210549.db2.gz VHGQTLQPBAWYLD-ZDUSSCGKSA-N 1 0 318.373 3.496 20 5 DGBDRO CO[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000295127792 434218844 /nfs/dbraw/zinc/21/88/44/434218844.db2.gz YCIYJZWKABCKAH-AWEZNQCLSA-N 1 0 312.797 3.495 20 5 DGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000320569574 434242802 /nfs/dbraw/zinc/24/28/02/434242802.db2.gz MAERVJGAZLDIPR-GFCCVEGCSA-N 1 0 302.378 3.284 20 5 DGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450533950 434250106 /nfs/dbraw/zinc/25/01/06/434250106.db2.gz ZAWINHHTQWOJKW-GFCCVEGCSA-N 1 0 302.378 3.284 20 5 DGBDRO COc1cc(NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000357949301 434261911 /nfs/dbraw/zinc/26/19/11/434261911.db2.gz UVSONUGSCAHFNI-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](NC2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423185299 434273340 /nfs/dbraw/zinc/27/33/40/434273340.db2.gz NIKSBILRMJPWFV-GOSISDBHSA-N 1 0 311.385 3.026 20 5 DGBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000319298140 434221794 /nfs/dbraw/zinc/22/17/94/434221794.db2.gz OJEZETPVQQVSSA-YOEHRIQHSA-N 1 0 306.406 3.153 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000319798611 434229061 /nfs/dbraw/zinc/22/90/61/434229061.db2.gz IWIIXGOXLNMCST-WFASDCNBSA-N 1 0 314.341 3.085 20 5 DGBDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000319972950 434232881 /nfs/dbraw/zinc/23/28/81/434232881.db2.gz IYBOYTKVDBLTQI-MRXNPFEDSA-N 1 0 314.341 3.217 20 5 DGBDRO C[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000516315675 294603434 /nfs/dbraw/zinc/60/34/34/294603434.db2.gz PQPSNYYXGYWOKM-NHYWBVRUSA-N 1 0 316.332 3.388 20 5 DGBDRO CCc1ccc([C@H](NCCC[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423197909 434280328 /nfs/dbraw/zinc/28/03/28/434280328.db2.gz BXGYDHVFFDGMDA-QGZVFWFLSA-N 1 0 317.389 3.039 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000437544411 434287896 /nfs/dbraw/zinc/28/78/96/434287896.db2.gz ZLHNGSUKHBJZOF-GOEBONIOSA-N 1 0 322.430 3.334 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H](C)c2cnn(CC)c2)ccc1[N+](=O)[O-] ZINC000295281606 434288716 /nfs/dbraw/zinc/28/87/16/434288716.db2.gz BJNUAXWKNOGQOM-LBPRGKRZSA-N 1 0 318.377 3.061 20 5 DGBDRO C[NH2+]CCN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423225741 434295245 /nfs/dbraw/zinc/29/52/45/434295245.db2.gz OASWUQANWLIFGS-LLVKDONJSA-N 1 0 305.403 3.193 20 5 DGBDRO Cc1c(CN2CCC[C@@H]2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000340690157 434306297 /nfs/dbraw/zinc/30/62/97/434306297.db2.gz JKCUVWCSOUXMLQ-QGZVFWFLSA-N 1 0 317.433 3.354 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000340710869 434316983 /nfs/dbraw/zinc/31/69/83/434316983.db2.gz ZUJGNGCSLLCTET-INIZCTEOSA-N 1 0 314.389 3.333 20 5 DGBDRO C[NH2+]C[C@H](C)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423268285 434325450 /nfs/dbraw/zinc/32/54/50/434325450.db2.gz FVDBTGODBQJWOL-KBXCAEBGSA-N 1 0 313.401 3.129 20 5 DGBDRO CN(C)C1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000417360652 434367568 /nfs/dbraw/zinc/36/75/68/434367568.db2.gz XTIJARPNDUFFFL-OAHLLOKOSA-N 1 0 303.406 3.001 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348521188 434371093 /nfs/dbraw/zinc/37/10/93/434371093.db2.gz OBDMPDMJIKTYSW-JQWIXIFHSA-N 1 0 320.723 3.498 20 5 DGBDRO C[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000295456622 434371878 /nfs/dbraw/zinc/37/18/78/434371878.db2.gz XBCKHMAEKRPPGA-YIYPIFLZSA-N 1 0 319.405 3.033 20 5 DGBDRO O=[N+]([O-])c1cccc2c(NC[C@@H]3CC[N@@H+](C4CC4)C3)ccnc21 ZINC000391238676 434379732 /nfs/dbraw/zinc/37/97/32/434379732.db2.gz XUCUQUBFDWQDPZ-LBPRGKRZSA-N 1 0 312.373 3.039 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000518396790 294718114 /nfs/dbraw/zinc/71/81/14/294718114.db2.gz JEDZMDBZVGSZHP-XJNFMUPTSA-N 1 0 314.385 3.129 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCn1ccnc1)CCCC2 ZINC000417299626 434349734 /nfs/dbraw/zinc/34/97/34/434349734.db2.gz NHEHTDVOBWWCTB-QGZVFWFLSA-N 1 0 314.389 3.239 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1O3)CCCC2 ZINC000417309646 434350078 /nfs/dbraw/zinc/35/00/78/434350078.db2.gz JBIDOHWXMUTISM-XBVQOTNRSA-N 1 0 302.374 3.272 20 5 DGBDRO CC(C)[C@@H](O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303493 434350134 /nfs/dbraw/zinc/35/01/34/434350134.db2.gz DKFNXTOUZQNRGT-IRXDYDNUSA-N 1 0 306.406 3.359 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCC[C@@H](O)CC)cc1[N+](=O)[O-] ZINC000358150649 434353655 /nfs/dbraw/zinc/35/36/55/434353655.db2.gz DYWUEBPNXUHKFM-OCCSQVGLSA-N 1 0 310.394 3.195 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000437846549 434354237 /nfs/dbraw/zinc/35/42/37/434354237.db2.gz LLVOTOBIQUUUDQ-KRWDZBQOSA-N 1 0 312.369 3.291 20 5 DGBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317749 434355507 /nfs/dbraw/zinc/35/55/07/434355507.db2.gz XGHOCODTQKOEBY-XFBWCDHKSA-N 1 0 324.446 3.064 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000450856651 434444971 /nfs/dbraw/zinc/44/49/71/434444971.db2.gz IKXPWVHWDXRAIL-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000395141246 434415071 /nfs/dbraw/zinc/41/50/71/434415071.db2.gz HRXWTOPALCRMDV-XJKSGUPXSA-N 1 0 306.406 3.495 20 5 DGBDRO COc1ccc(C[NH2+]C[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000396937659 434428813 /nfs/dbraw/zinc/42/88/13/434428813.db2.gz HAMJHCLUQIMKOZ-VIFPVBQESA-N 1 0 306.284 3.282 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@H](CO)C1)CCC2 ZINC000348640844 434429636 /nfs/dbraw/zinc/42/96/36/434429636.db2.gz JZCBCZXAWUAIOX-QWQRMKEZSA-N 1 0 318.417 3.361 20 5 DGBDRO C[C@@H]1C[C@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397394398 434437794 /nfs/dbraw/zinc/43/77/94/434437794.db2.gz KVORESXMKBAGDW-MDZLAQPJSA-N 1 0 311.813 3.053 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000366559757 434452624 /nfs/dbraw/zinc/45/26/24/434452624.db2.gz ZKOHWVLJDLAGDJ-CQSZACIVSA-N 1 0 315.348 3.102 20 5 DGBDRO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287787054 434452864 /nfs/dbraw/zinc/45/28/64/434452864.db2.gz OPNNUZDTRCOKCF-GWCFXTLKSA-N 1 0 306.391 3.155 20 5 DGBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000353901685 434515030 /nfs/dbraw/zinc/51/50/30/434515030.db2.gz RXAKLECOQOMMPM-GFCCVEGCSA-N 1 0 302.330 3.076 20 5 DGBDRO [NH3+]CCN(C[C@H]1C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000348896809 434546027 /nfs/dbraw/zinc/54/60/27/434546027.db2.gz UFALZWVGRSQFQG-CVEARBPZSA-N 1 0 311.385 3.164 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000360211524 434548977 /nfs/dbraw/zinc/54/89/77/434548977.db2.gz DTJRJLFOPHIWPC-NEPJUHHUSA-N 1 0 311.813 3.163 20 5 DGBDRO [NH3+]CCN(Cc1cccc2[nH]ccc21)c1ccccc1[N+](=O)[O-] ZINC000348917922 434553995 /nfs/dbraw/zinc/55/39/95/434553995.db2.gz AEIZWUJPOLFPGS-UHFFFAOYSA-N 1 0 310.357 3.041 20 5 DGBDRO Cc1cc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)on1 ZINC000353986266 434559554 /nfs/dbraw/zinc/55/95/54/434559554.db2.gz IBWPZUSUCRNDEV-INIZCTEOSA-N 1 0 301.346 3.101 20 5 DGBDRO C[C@H](Cc1ccccc1F)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000525868303 295039353 /nfs/dbraw/zinc/03/93/53/295039353.db2.gz WPAYFDWYACXRGO-CYBMUJFWSA-N 1 0 318.348 3.334 20 5 DGBDRO [NH3+]CC[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000262030279 295238018 /nfs/dbraw/zinc/23/80/18/295238018.db2.gz YRIGWNNYAQJRBX-JTQLQIEISA-N 1 0 317.311 3.179 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CC(C)C)OC ZINC000418095455 434587913 /nfs/dbraw/zinc/58/79/13/434587913.db2.gz JEHCTMLPWGVVCF-HNNXBMFYSA-N 1 0 310.394 3.144 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000452127317 434586075 /nfs/dbraw/zinc/58/60/75/434586075.db2.gz ZUEDMAXGTUPJTM-AWEZNQCLSA-N 1 0 311.813 3.163 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000424140457 434634179 /nfs/dbraw/zinc/63/41/79/434634179.db2.gz OGZBYKJWVWWPIA-LSDHHAIUSA-N 1 0 319.405 3.035 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1C ZINC000349204229 434636234 /nfs/dbraw/zinc/63/62/34/434636234.db2.gz WIPUOCLGKSYOIQ-UONOGXRCSA-N 1 0 323.462 3.149 20 5 DGBDRO CC[NH+](CC)CCOCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000349220262 434640176 /nfs/dbraw/zinc/64/01/76/434640176.db2.gz XKRYRQMNRBRQBM-UHFFFAOYSA-N 1 0 315.801 3.019 20 5 DGBDRO CC[C@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000354072823 434602593 /nfs/dbraw/zinc/60/25/93/434602593.db2.gz KZBXZSWELGASTB-MRXNPFEDSA-N 1 0 308.378 3.234 20 5 DGBDRO C[C@@H]1[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000349242187 434647670 /nfs/dbraw/zinc/64/76/70/434647670.db2.gz OHXADEMARIAQCV-LBPRGKRZSA-N 1 0 308.353 3.125 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000349249904 434648775 /nfs/dbraw/zinc/64/87/75/434648775.db2.gz WDLDLEMUFTXEIY-DNOWBOINSA-N 1 0 322.405 3.195 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)N(C)C ZINC000349249881 434650020 /nfs/dbraw/zinc/65/00/20/434650020.db2.gz VNRMIPRKCXDTQA-CHWSQXEVSA-N 1 0 311.451 3.005 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459681458 434662081 /nfs/dbraw/zinc/66/20/81/434662081.db2.gz XDLOYPMBSIIQLP-HUUCEWRRSA-N 1 0 314.389 3.096 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000349350887 434686224 /nfs/dbraw/zinc/68/62/24/434686224.db2.gz PMJHCONZVCHQML-WBMJQRKESA-N 1 0 316.357 3.058 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCOCC2CCC2)C2CC2)cc1 ZINC000419228054 434753658 /nfs/dbraw/zinc/75/36/58/434753658.db2.gz LVDQYQZWBIOBJT-UHFFFAOYSA-N 1 0 304.390 3.376 20 5 DGBDRO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)CCCCC1 ZINC000424338923 434701485 /nfs/dbraw/zinc/70/14/85/434701485.db2.gz PDDAAJNFBVCXDK-UHFFFAOYSA-N 1 0 322.752 3.416 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459780913 434719239 /nfs/dbraw/zinc/71/92/39/434719239.db2.gz LWQUXNYHLDLQLA-ATEGUMQPSA-N 1 0 302.374 3.155 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2cncs2)C2CC2)c1 ZINC000411328515 434762964 /nfs/dbraw/zinc/76/29/64/434762964.db2.gz UEDYHZPVYWLYJS-UHFFFAOYSA-N 1 0 303.387 3.258 20 5 DGBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000419378832 434780143 /nfs/dbraw/zinc/78/01/43/434780143.db2.gz SAGZCPOSJASDMR-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC1(C)C ZINC000419316764 434771470 /nfs/dbraw/zinc/77/14/70/434771470.db2.gz QTKJEJBQZFRUBS-VXGBXAGGSA-N 1 0 302.378 3.385 20 5 DGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000411496075 434789041 /nfs/dbraw/zinc/78/90/41/434789041.db2.gz XAJNXNMCRUVNQQ-CQSZACIVSA-N 1 0 307.394 3.338 20 5 DGBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000419379831 434780894 /nfs/dbraw/zinc/78/08/94/434780894.db2.gz XBBBCJXGCMTITR-GRYCIOLGSA-N 1 0 316.361 3.121 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)[C@H]1C ZINC000419379834 434782109 /nfs/dbraw/zinc/78/21/09/434782109.db2.gz XBBBCJXGCMTITR-WOPDTQHZSA-N 1 0 316.361 3.121 20 5 DGBDRO CC1(C)CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411557021 434801917 /nfs/dbraw/zinc/80/19/17/434801917.db2.gz YNKULGQELUZLEL-OAHLLOKOSA-N 1 0 319.405 3.482 20 5 DGBDRO O=C(CC[N@H+](CC1CC1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411660303 434815926 /nfs/dbraw/zinc/81/59/26/434815926.db2.gz JGOLOKAAWVIXME-UHFFFAOYSA-N 1 0 317.389 3.188 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000453205344 434828962 /nfs/dbraw/zinc/82/89/62/434828962.db2.gz WRGDLBGPFMPCMD-UONOGXRCSA-N 1 0 310.781 3.295 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)ccc1[N+](=O)[O-] ZINC000411967448 434849934 /nfs/dbraw/zinc/84/99/34/434849934.db2.gz IADULKNJSCIWAU-YVEFUNNKSA-N 1 0 322.405 3.287 20 5 DGBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000372737041 434850661 /nfs/dbraw/zinc/85/06/61/434850661.db2.gz DDFLGGNMQSJLBN-KRWDZBQOSA-N 1 0 314.389 3.016 20 5 DGBDRO C[C@H]1CC(C)(C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000412041355 434859724 /nfs/dbraw/zinc/85/97/24/434859724.db2.gz LFFLDWAICDMJQH-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000553991190 434909446 /nfs/dbraw/zinc/90/94/46/434909446.db2.gz FQZUSZPCTZUPAH-UHFFFAOYSA-N 1 0 314.332 3.483 20 5 DGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000573677953 434918332 /nfs/dbraw/zinc/91/83/32/434918332.db2.gz AGQOKCCQHBBQCU-ZIAGYGMSSA-N 1 0 319.405 3.482 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](COC)C1CC1 ZINC000552579735 434867557 /nfs/dbraw/zinc/86/75/57/434867557.db2.gz HZHMFWKEQMRYOI-UONOGXRCSA-N 1 0 324.446 3.480 20 5 DGBDRO Cc1cnc(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000463055034 434941037 /nfs/dbraw/zinc/94/10/37/434941037.db2.gz MASVPIKFXIVWOT-INIZCTEOSA-N 1 0 320.437 3.467 20 5 DGBDRO CC(C)[N@H+](C)CC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000554444808 434927958 /nfs/dbraw/zinc/92/79/58/434927958.db2.gz FXHGXEOEGOZMRX-UHFFFAOYSA-N 1 0 323.412 3.286 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2CSC)ccc1[N+](=O)[O-] ZINC000492658642 435031045 /nfs/dbraw/zinc/03/10/45/435031045.db2.gz VNAWOKNGXDNWLW-ZDUSSCGKSA-N 1 0 310.419 3.321 20 5 DGBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000464740278 434994991 /nfs/dbraw/zinc/99/49/91/434994991.db2.gz QATHSECNPFJSMA-UKRRQHHQSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000574705053 434997484 /nfs/dbraw/zinc/99/74/84/434997484.db2.gz UMCZTDOXEWJKTR-HNNXBMFYSA-N 1 0 305.422 3.113 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000556921290 435037968 /nfs/dbraw/zinc/03/79/68/435037968.db2.gz NCOKTYQOZDIDQD-HOCLYGCPSA-N 1 0 305.422 3.428 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000557272259 435049714 /nfs/dbraw/zinc/04/97/14/435049714.db2.gz JWCWFZVZBLQSBU-CJNGLKHVSA-N 1 0 306.406 3.495 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCCCCC1 ZINC000532198626 435147160 /nfs/dbraw/zinc/14/71/60/435147160.db2.gz HDLDKXXKUSXTLY-HNNXBMFYSA-N 1 0 305.422 3.430 20 5 DGBDRO COCC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000532212842 435148240 /nfs/dbraw/zinc/14/82/40/435148240.db2.gz WKRRKBLEXXRWCC-UHFFFAOYSA-N 1 0 302.330 3.123 20 5 DGBDRO C[C@@H]([N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000558573428 435098199 /nfs/dbraw/zinc/09/81/99/435098199.db2.gz IYWAUUPTNKYOEM-GFCCVEGCSA-N 1 0 307.394 3.290 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000558599426 435099339 /nfs/dbraw/zinc/09/93/39/435099339.db2.gz OVABJHJLMLZNQD-GFCCVEGCSA-N 1 0 307.394 3.330 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000578653160 435100154 /nfs/dbraw/zinc/10/01/54/435100154.db2.gz PIWXXEOYMYJDSV-OUOSUHLLSA-N 1 0 302.374 3.109 20 5 DGBDRO CC[N@@H+]1CCC[C@H]1CN(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493103306 435108134 /nfs/dbraw/zinc/10/81/34/435108134.db2.gz FNHMEOVCWXBUKR-LBPRGKRZSA-N 1 0 311.813 3.164 20 5 DGBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000532968033 435203616 /nfs/dbraw/zinc/20/36/16/435203616.db2.gz OUNIBGHGEJCHGG-UKRRQHHQSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000532249809 435151531 /nfs/dbraw/zinc/15/15/31/435151531.db2.gz LDVGCKKMMBLESW-CXAGYDPISA-N 1 0 300.358 3.287 20 5 DGBDRO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000579730805 435179054 /nfs/dbraw/zinc/17/90/54/435179054.db2.gz WAXCIXJQXQRFJI-UHFFFAOYSA-N 1 0 313.785 3.307 20 5 DGBDRO Cc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000583905594 435254744 /nfs/dbraw/zinc/25/47/44/435254744.db2.gz YFKYJNBHVRJAML-UHFFFAOYSA-N 1 0 309.385 3.353 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000584027505 435267116 /nfs/dbraw/zinc/26/71/16/435267116.db2.gz SFMXHDVDGJUCHO-LBPRGKRZSA-N 1 0 310.357 3.332 20 5 DGBDRO Cc1ccccc1[C@H](C(C)C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000478033663 435289537 /nfs/dbraw/zinc/28/95/37/435289537.db2.gz NMXDXPKMRNNQQT-KRWDZBQOSA-N 1 0 316.405 3.429 20 5 DGBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000534022896 435263658 /nfs/dbraw/zinc/26/36/58/435263658.db2.gz YPASZQFEHGJUOX-YOEHRIQHSA-N 1 0 320.389 3.115 20 5 DGBDRO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511135465 435316741 /nfs/dbraw/zinc/31/67/41/435316741.db2.gz GMWLMCIOFUOEHU-UHFFFAOYSA-N 1 0 300.358 3.278 20 5 DGBDRO CC(C)(C)[N@@H+]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000535083935 435319113 /nfs/dbraw/zinc/31/91/13/435319113.db2.gz OJHHWSRKOUYWLK-TWGQIWQCSA-N 1 0 317.433 3.414 20 5 DGBDRO CC(C)=CCC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000479301297 435327019 /nfs/dbraw/zinc/32/70/19/435327019.db2.gz PSLFDVFFJHGZJV-ZDUSSCGKSA-N 1 0 305.378 3.258 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](c4cccnc4)C3)nc2c1 ZINC000567798015 435357276 /nfs/dbraw/zinc/35/72/76/435357276.db2.gz IJCULMZAIHQECQ-ZDUSSCGKSA-N 1 0 324.340 3.121 20 5 DGBDRO COC(C)(C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000535852408 435358940 /nfs/dbraw/zinc/35/89/40/435358940.db2.gz XFOMFXUWPBGDPV-UHFFFAOYSA-N 1 0 318.320 3.053 20 5 DGBDRO Cc1cc(N2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000514176600 435414761 /nfs/dbraw/zinc/41/47/61/435414761.db2.gz RVLFKMLDVJMIFK-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO Cc1ccncc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000536856554 435417421 /nfs/dbraw/zinc/41/74/21/435417421.db2.gz FMOJQVXHRYWFKK-CYBMUJFWSA-N 1 0 301.346 3.028 20 5 DGBDRO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000567906019 435368465 /nfs/dbraw/zinc/36/84/65/435368465.db2.gz ATJSIXUKKURRAQ-BTKRWWFXSA-N 1 0 302.374 3.251 20 5 DGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000537095191 435423413 /nfs/dbraw/zinc/42/34/13/435423413.db2.gz NUZVUNFJZQFEHW-SOLBZPMBSA-N 1 0 318.417 3.321 20 5 DGBDRO CCCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000568450305 435437554 /nfs/dbraw/zinc/43/75/54/435437554.db2.gz SEPRMAWJBFZALI-LBPRGKRZSA-N 1 0 323.393 3.052 20 5 DGBDRO CC1(C)CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000568503112 435442934 /nfs/dbraw/zinc/44/29/34/435442934.db2.gz YVZUJCNPGTVQHD-CYBMUJFWSA-N 1 0 319.405 3.482 20 5 DGBDRO C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023789 435510527 /nfs/dbraw/zinc/51/05/27/435510527.db2.gz AHCRXIFDEIKCGJ-RDTXWAMCSA-N 1 0 317.433 3.294 20 5 DGBDRO Cc1c(CN2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000483484637 435523382 /nfs/dbraw/zinc/52/33/82/435523382.db2.gz JSIBOACXWMVSFH-UHFFFAOYSA-N 1 0 317.433 3.354 20 5 DGBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000485129392 435560951 /nfs/dbraw/zinc/56/09/51/435560951.db2.gz QTALYWLNWDYLGH-KRWDZBQOSA-N 1 0 318.417 3.442 20 5 DGBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000540043842 435583827 /nfs/dbraw/zinc/58/38/27/435583827.db2.gz IGYZZZYJTPWTOY-CQSZACIVSA-N 1 0 304.390 3.486 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000570124444 435590733 /nfs/dbraw/zinc/59/07/33/435590733.db2.gz ITCSQWDKFMRKFJ-ZDUSSCGKSA-N 1 0 322.409 3.145 20 5 DGBDRO CN(CCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000517742254 435610448 /nfs/dbraw/zinc/61/04/48/435610448.db2.gz PJSFVZICYNUDPQ-UHFFFAOYSA-N 1 0 323.780 3.289 20 5 DGBDRO CCn1cc(CN(C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000540906318 435624463 /nfs/dbraw/zinc/62/44/63/435624463.db2.gz PDWQXWMAXVRKGS-ZDUSSCGKSA-N 1 0 302.378 3.313 20 5 DGBDRO CCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000570173973 435597415 /nfs/dbraw/zinc/59/74/15/435597415.db2.gz QEKHSLUDOHOZBY-UHFFFAOYSA-N 1 0 304.350 3.265 20 5 DGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739144 435643093 /nfs/dbraw/zinc/64/30/93/435643093.db2.gz VTXIDXYSQYDORU-JMSVASOKSA-N 1 0 323.824 3.415 20 5 DGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739146 435643836 /nfs/dbraw/zinc/64/38/36/435643836.db2.gz VTXIDXYSQYDORU-TYNCELHUSA-N 1 0 323.824 3.415 20 5 DGBDRO Cc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488734151 435643884 /nfs/dbraw/zinc/64/38/84/435643884.db2.gz MLGOMBMFVHIERH-YWPYICTPSA-N 1 0 321.396 3.209 20 5 DGBDRO C[N@H+](CCOc1cccc(F)c1)CCc1cccc([N+](=O)[O-])c1 ZINC000549156903 435745348 /nfs/dbraw/zinc/74/53/48/435745348.db2.gz QIGMGAPGYAHINI-UHFFFAOYSA-N 1 0 318.348 3.287 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000548753083 435715687 /nfs/dbraw/zinc/71/56/87/435715687.db2.gz FCWIGASMMDVJLX-DCGLDWPTSA-N 1 0 304.390 3.464 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000550896190 435814233 /nfs/dbraw/zinc/81/42/33/435814233.db2.gz XISIAXARVKTHSQ-CZUORRHYSA-N 1 0 306.406 3.434 20 5 DGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000491599871 435777034 /nfs/dbraw/zinc/77/70/34/435777034.db2.gz WFKSLVSWMVGXGF-UHFFFAOYSA-N 1 0 305.300 3.281 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000166605580 312694640 /nfs/dbraw/zinc/69/46/40/312694640.db2.gz CGDJKWPOBIVTKH-IGNZVWTISA-N 1 0 312.369 3.212 20 5 DGBDRO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680391 312791354 /nfs/dbraw/zinc/79/13/54/312791354.db2.gz RUMODUSDOGDPRX-QWHCGFSZSA-N 1 0 321.421 3.247 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2nc(C)ncc2C1 ZINC000530341833 313359791 /nfs/dbraw/zinc/35/97/91/313359791.db2.gz LHQDYDSFIIXAFK-MDWZMJQESA-N 1 0 324.384 3.155 20 5 DGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532216741 313528421 /nfs/dbraw/zinc/52/84/21/313528421.db2.gz CANIMBBILJUCHI-NWDGAFQWSA-N 1 0 302.378 3.357 20 5 DGBDRO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000532248890 313532565 /nfs/dbraw/zinc/53/25/65/313532565.db2.gz CZBKFVSXHXFFHF-GUYCJALGSA-N 1 0 300.358 3.287 20 5 DGBDRO Cc1cc(NC[C@@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000536013204 313745127 /nfs/dbraw/zinc/74/51/27/313745127.db2.gz VQJVXKVDKHNROL-QGZVFWFLSA-N 1 0 313.401 3.488 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000538403644 313860824 /nfs/dbraw/zinc/86/08/24/313860824.db2.gz QKKNMVVCBRPKBF-CRAIPNDOSA-N 1 0 312.369 3.367 20 5 DGBDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000540591529 313967155 /nfs/dbraw/zinc/96/71/55/313967155.db2.gz DDKIJGXKERDZBI-HNNXBMFYSA-N 1 0 310.394 3.397 20 5 DGBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccc1O ZINC000541551680 314022342 /nfs/dbraw/zinc/02/23/42/314022342.db2.gz PZMRRDGEKYORJZ-RMKNXTFCSA-N 1 0 312.369 3.488 20 5 DGBDRO C[C@H]([NH2+]C1(C2CC2)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000543455020 314136473 /nfs/dbraw/zinc/13/64/73/314136473.db2.gz PMWWJXGPDVMUDB-JTQLQIEISA-N 1 0 314.345 3.238 20 5 DGBDRO COc1ccsc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000546017442 314285546 /nfs/dbraw/zinc/28/55/46/314285546.db2.gz QHUPHWVPMBYOFK-LLVKDONJSA-N 1 0 322.386 3.395 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CC(OCc3ccccc3)C2)c1 ZINC000547331763 314357200 /nfs/dbraw/zinc/35/72/00/314357200.db2.gz ZKUDQVGEPBWLMX-UHFFFAOYSA-N 1 0 312.369 3.432 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC1(C)C ZINC000554095375 314665806 /nfs/dbraw/zinc/66/58/06/314665806.db2.gz CXGCUGWVLRSQAH-FZMZJTMJSA-N 1 0 305.378 3.090 20 5 DGBDRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000558718047 314860825 /nfs/dbraw/zinc/86/08/25/314860825.db2.gz GGXCVOCYSXLPIR-CJNGLKHVSA-N 1 0 315.373 3.392 20 5 DGBDRO Cc1c(C[NH2+]Cc2cccc(-n3cccn3)c2)cccc1[N+](=O)[O-] ZINC000562920177 315061290 /nfs/dbraw/zinc/06/12/90/315061290.db2.gz BXQYROYKXYNSLQ-UHFFFAOYSA-N 1 0 322.368 3.379 20 5 DGBDRO CCCCN(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000563484308 315119359 /nfs/dbraw/zinc/11/93/59/315119359.db2.gz ZHHOFGFJWVGSPZ-WKTRQSJXSA-N 1 0 305.422 3.318 20 5 DGBDRO C[C@@H](Cc1ccsc1)N(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000564315847 315168390 /nfs/dbraw/zinc/16/83/90/315168390.db2.gz XNJIAZMHCQQEOA-LBPRGKRZSA-N 1 0 305.403 3.053 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000564316125 315168397 /nfs/dbraw/zinc/16/83/97/315168397.db2.gz WEHNGTHGIXRWKA-NZSAHSFTSA-N 1 0 324.380 3.421 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000566055990 315308141 /nfs/dbraw/zinc/30/81/41/315308141.db2.gz WXPOMGPDFLLQLP-HONMWMINSA-N 1 0 314.332 3.103 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CC[N@H+](C)C1CC1 ZINC000567148380 315399855 /nfs/dbraw/zinc/39/98/55/315399855.db2.gz OIYXQTLGMMNCEH-SDNWHVSQSA-N 1 0 303.406 3.024 20 5 DGBDRO CSc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])ccn1 ZINC000568411108 315510251 /nfs/dbraw/zinc/51/02/51/315510251.db2.gz HSXCHUGCOFWDJE-CQSZACIVSA-N 1 0 315.398 3.489 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000572947857 315829168 /nfs/dbraw/zinc/82/91/68/315829168.db2.gz UUJCAAKLCUCGOM-MIFYACCESA-N 1 0 306.406 3.463 20 5 DGBDRO C[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000573677952 315889848 /nfs/dbraw/zinc/88/98/48/315889848.db2.gz AGQOKCCQHBBQCU-UONOGXRCSA-N 1 0 319.405 3.482 20 5 DGBDRO CC(C)C[NH+]1CCC(N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000574464180 315969369 /nfs/dbraw/zinc/96/93/69/315969369.db2.gz AIXFXOMXPPUSLV-KRWDZBQOSA-N 1 0 317.433 3.292 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000574876294 316010922 /nfs/dbraw/zinc/01/09/22/316010922.db2.gz BTRSAJWZDLSFNP-UPJWGTAASA-N 1 0 323.368 3.182 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CO1 ZINC000575122780 316035173 /nfs/dbraw/zinc/03/51/73/316035173.db2.gz CHPVNGFLVKZHJK-SKDZVZGDSA-N 1 0 312.369 3.451 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000575992501 316083776 /nfs/dbraw/zinc/08/37/76/316083776.db2.gz TXSHCXNQVLHEOR-AVOUXACISA-N 1 0 303.406 3.179 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC1(C)C ZINC000576885392 316179442 /nfs/dbraw/zinc/17/94/42/316179442.db2.gz PANAJXQGJHKKIH-AWEZNQCLSA-N 1 0 305.378 3.010 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000577599046 316251552 /nfs/dbraw/zinc/25/15/52/316251552.db2.gz NMXOCLNHENGQHB-MRXNPFEDSA-N 1 0 303.406 3.010 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CC2CCC2)c2ccccc2)c1 ZINC000182037003 323281211 /nfs/dbraw/zinc/28/12/11/323281211.db2.gz LZADXUNXINQPHZ-QGZVFWFLSA-N 1 0 314.389 3.312 20 5 DGBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000182943110 323317212 /nfs/dbraw/zinc/31/72/12/323317212.db2.gz XDOJQFKWHMVHDR-ZDUSSCGKSA-N 1 0 319.405 3.116 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)c2ccccc2)c1 ZINC000183582376 323342511 /nfs/dbraw/zinc/34/25/11/323342511.db2.gz DLWPARHGNIAAHF-POZUXBRTSA-N 1 0 324.380 3.211 20 5 DGBDRO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1Cl ZINC000183691077 323345322 /nfs/dbraw/zinc/34/53/22/323345322.db2.gz GMIVFVBHXOZPSO-OAHLLOKOSA-N 1 0 322.796 3.432 20 5 DGBDRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183813628 323348386 /nfs/dbraw/zinc/34/83/86/323348386.db2.gz ZGHXVTYQWVNBBK-UHFFFAOYSA-N 1 0 314.769 3.070 20 5 DGBDRO CCC[N@@H+]1CC[C@@H](CNc2cccc(OCC)c2[N+](=O)[O-])C1 ZINC000184077597 323354146 /nfs/dbraw/zinc/35/41/46/323354146.db2.gz QSBMRYBNXGLIRP-ZDUSSCGKSA-N 1 0 307.394 3.137 20 5 DGBDRO CCOc1cc(N2CCC[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000189078955 323432524 /nfs/dbraw/zinc/43/25/24/323432524.db2.gz SCEKZNKJMYGFKF-HNNXBMFYSA-N 1 0 319.405 3.058 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CC)OC ZINC000580921199 324053122 /nfs/dbraw/zinc/05/31/22/324053122.db2.gz VXICJEIWZVNGAR-CHWSQXEVSA-N 1 0 312.435 3.480 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CC)OC ZINC000580921208 324053238 /nfs/dbraw/zinc/05/32/38/324053238.db2.gz VXICJEIWZVNGAR-STQMWFEESA-N 1 0 312.435 3.480 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000580984499 324060572 /nfs/dbraw/zinc/06/05/72/324060572.db2.gz BMRDDQHIPKCMPF-LLVKDONJSA-N 1 0 313.373 3.275 20 5 DGBDRO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000581147900 324080932 /nfs/dbraw/zinc/08/09/32/324080932.db2.gz VFIBGJYGQIDDDN-HOCLYGCPSA-N 1 0 305.422 3.428 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1cnn(CCC[NH+]2CCCCC2)c1 ZINC000584242367 331950377 /nfs/dbraw/zinc/95/03/77/331950377.db2.gz QQYWTRYZERQARN-UHFFFAOYSA-N 1 0 314.389 3.334 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCC[C@H]1C ZINC000584479703 337348529 /nfs/dbraw/zinc/34/85/29/337348529.db2.gz CYTRLIJYCOBHGU-CPUCHLNUSA-N 1 0 317.433 3.435 20 5 DGBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000443787781 533823197 /nfs/dbraw/zinc/82/31/97/533823197.db2.gz ILDPVBSSZSBGTK-XCECCGRFSA-N 1 0 304.390 3.089 20 5 DGBDRO C[C@H](CCCC[NH3+])Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000310966394 533852234 /nfs/dbraw/zinc/85/22/34/533852234.db2.gz BTGQIJXUZLVEIE-SECBINFHSA-N 1 0 316.199 3.287 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429567709 533899842 /nfs/dbraw/zinc/89/98/42/533899842.db2.gz MQKDRNHZTBUPKN-JSGCOSHPSA-N 1 0 319.405 3.352 20 5 DGBDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317747 534080915 /nfs/dbraw/zinc/08/09/15/534080915.db2.gz XGHOCODTQKOEBY-IUIKQTSFSA-N 1 0 324.446 3.064 20 5 DGBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429566445 534247144 /nfs/dbraw/zinc/24/71/44/534247144.db2.gz KBARANWAAIHXLO-RISCZKNCSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000178777364 534327285 /nfs/dbraw/zinc/32/72/85/534327285.db2.gz VVPGIBBGLJLXMQ-AWEZNQCLSA-N 1 0 306.410 3.078 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429290537 534346205 /nfs/dbraw/zinc/34/62/05/534346205.db2.gz DGYUOTZILWPUGT-TZMCWYRMSA-N 1 0 312.369 3.427 20 5 DGBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000269282480 519796437 /nfs/dbraw/zinc/79/64/37/519796437.db2.gz RECPOMCUFDYEQW-KRWDZBQOSA-N 1 0 307.397 3.101 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](CO)C3)o2)cc1 ZINC000294945951 534880955 /nfs/dbraw/zinc/88/09/55/534880955.db2.gz CQBSHIZYUZQIQA-OCCSQVGLSA-N 1 0 316.357 3.105 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H]3CCO)o2)cc1 ZINC000428489130 534881441 /nfs/dbraw/zinc/88/14/41/534881441.db2.gz UTQSBHQFLXXAOU-AWEZNQCLSA-N 1 0 316.357 3.202 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000432422904 534887943 /nfs/dbraw/zinc/88/79/43/534887943.db2.gz WAOCRMWXHNQWMI-CPBWPMLKSA-N 1 0 318.417 3.057 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430126945 527528136 /nfs/dbraw/zinc/52/81/36/527528136.db2.gz VWNDTKKSSNRLOH-SPQRHKFCSA-N 1 0 315.417 3.026 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000432787621 527528589 /nfs/dbraw/zinc/52/85/89/527528589.db2.gz TWNPDJSLWYJONS-OKACTXMXSA-N 1 0 317.433 3.414 20 5 DGBDRO CC(C)C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000444202594 527653918 /nfs/dbraw/zinc/65/39/18/527653918.db2.gz XDNPUGLTKGDMEQ-CYBMUJFWSA-N 1 0 319.405 3.290 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000444647475 527743186 /nfs/dbraw/zinc/74/31/86/527743186.db2.gz VMNOUWFFIBGCJM-HNNXBMFYSA-N 1 0 322.405 3.299 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302622186 527840596 /nfs/dbraw/zinc/84/05/96/527840596.db2.gz ACJROPLWHZPKTD-GFCCVEGCSA-N 1 0 311.813 3.335 20 5 DGBDRO CCOC(=O)[C@H](C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302085962 527950987 /nfs/dbraw/zinc/95/09/87/527950987.db2.gz NLKGDXOLEGQFJM-SNVBAGLBSA-N 1 0 317.345 3.063 20 5 DGBDRO CC[NH+](CC)CCCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000317277498 528114372 /nfs/dbraw/zinc/11/43/72/528114372.db2.gz OQUZJKUDVWKULH-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO CC1CCC(O)(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429266162 528203199 /nfs/dbraw/zinc/20/31/99/528203199.db2.gz VWINCTHIQHWNQB-UHFFFAOYSA-N 1 0 306.406 3.361 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccco1 ZINC000413087061 528248602 /nfs/dbraw/zinc/24/86/02/528248602.db2.gz RFKFUUFPAGEOOO-ZDUSSCGKSA-N 1 0 322.340 3.217 20 5 DGBDRO CCCCOCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000441815687 528588921 /nfs/dbraw/zinc/58/89/21/528588921.db2.gz BFVFIGVXDNFXNF-UHFFFAOYSA-N 1 0 322.405 3.255 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000297348387 528594552 /nfs/dbraw/zinc/59/45/52/528594552.db2.gz PADRXHVUKYBQNX-QWHCGFSZSA-N 1 0 310.394 3.053 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000297348385 528606881 /nfs/dbraw/zinc/60/68/81/528606881.db2.gz PADRXHVUKYBQNX-OLZOCXBDSA-N 1 0 310.394 3.053 20 5 DGBDRO CC(C)[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413092727 528817777 /nfs/dbraw/zinc/81/77/77/528817777.db2.gz MXWARYKAOHWWLE-UHFFFAOYSA-N 1 0 320.315 3.151 20 5 DGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000320009746 528829070 /nfs/dbraw/zinc/82/90/70/528829070.db2.gz VGDNXSPMLUETTL-GFCCVEGCSA-N 1 0 302.378 3.284 20 5 DGBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178095732 529018736 /nfs/dbraw/zinc/01/87/36/529018736.db2.gz QAEJCUIWVZOKKK-SWLSCSKDSA-N 1 0 321.421 3.329 20 5 DGBDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449162689 534963808 /nfs/dbraw/zinc/96/38/08/534963808.db2.gz SSLMQHOMNKWFIQ-YOEHRIQHSA-N 1 0 308.422 3.303 20 5 DGBDRO CCC(O)(CC)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000471795860 535216079 /nfs/dbraw/zinc/21/60/79/535216079.db2.gz BLIVQOUSSDCHAY-MRXNPFEDSA-N 1 0 320.433 3.447 20 5 DGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C12CCC2 ZINC000451476095 535412183 /nfs/dbraw/zinc/41/21/83/535412183.db2.gz DXQFTFIYJNPSBV-HZPDHXFCSA-N 1 0 320.389 3.041 20 5 DGBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000451782794 535546772 /nfs/dbraw/zinc/54/67/72/535546772.db2.gz LHEQJIYUJDSZQK-BJJXKVORSA-N 1 0 320.389 3.286 20 5 DGBDRO COc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000449346794 537114800 /nfs/dbraw/zinc/11/48/00/537114800.db2.gz DHKWHDRLFOIRDS-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO C[C@H](C[NH+]1CCCCC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731208331 574544958 /nfs/dbraw/zinc/54/49/58/574544958.db2.gz AZRNHBVSIJHWBN-LLVKDONJSA-N 1 0 320.418 3.491 20 5 DGBDRO CCC[NH+]1CCC(Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000731205807 574545284 /nfs/dbraw/zinc/54/52/84/574545284.db2.gz KQVYFJQHDGBDSP-UHFFFAOYSA-N 1 0 320.418 3.491 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3CC[N@@H+](C4CC4)C3)sc2c1 ZINC000731209098 574545354 /nfs/dbraw/zinc/54/53/54/574545354.db2.gz RZFNFCCBSGAPNP-SNVBAGLBSA-N 1 0 318.402 3.101 20 5 DGBDRO Cc1cc(C)c(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000731678956 574556834 /nfs/dbraw/zinc/55/68/34/574556834.db2.gz TWERUCIJSXQGDL-SFHVURJKSA-N 1 0 314.385 3.343 20 5 DGBDRO CC[C@H](C[NH+]1CCCC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000735833169 574717394 /nfs/dbraw/zinc/71/73/94/574717394.db2.gz ZDXCLTICWJRIMU-LLVKDONJSA-N 1 0 320.418 3.491 20 5 DGBDRO CC(C)[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000741012715 574948330 /nfs/dbraw/zinc/94/83/30/574948330.db2.gz RAULEGMKMGOLIL-MRXNPFEDSA-N 1 0 320.389 3.149 20 5 DGBDRO C[C@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741016661 574948877 /nfs/dbraw/zinc/94/88/77/574948877.db2.gz IZHLZYVULRZQHW-GRYCIOLGSA-N 1 0 324.352 3.038 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000741255672 574954572 /nfs/dbraw/zinc/95/45/72/574954572.db2.gz IHZNEZOPBQNDAM-ZLKJLUDKSA-N 1 0 310.781 3.151 20 5 DGBDRO CC(C)C[N@H+](CCc1ccc(F)cc1)Cn1nccc1[N+](=O)[O-] ZINC000746066247 575430129 /nfs/dbraw/zinc/43/01/29/575430129.db2.gz RIKKTXDNSBBBPA-UHFFFAOYSA-N 1 0 320.368 3.089 20 5 DGBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748242367 575574399 /nfs/dbraw/zinc/57/43/99/575574399.db2.gz LWBAJORTAROYGN-CQSZACIVSA-N 1 0 314.769 3.070 20 5 DGBDRO Cc1nn(C[N@H+](C2CC2)C2CCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000748451093 575587578 /nfs/dbraw/zinc/58/75/78/575587578.db2.gz XJASDZFDEKAHDZ-UHFFFAOYSA-N 1 0 315.377 3.012 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000748820159 575609522 /nfs/dbraw/zinc/60/95/22/575609522.db2.gz GDAYAQPMEHJCBU-CYBMUJFWSA-N 1 0 314.389 3.229 20 5 DGBDRO Cc1nn(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749940941 575690740 /nfs/dbraw/zinc/69/07/40/575690740.db2.gz MFIHECVJFCVCHK-AAEUAGOBSA-N 1 0 317.393 3.116 20 5 DGBDRO CCC1(C)CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000725779185 575911948 /nfs/dbraw/zinc/91/19/48/575911948.db2.gz QRBLWNQBFLIXFN-UHFFFAOYSA-N 1 0 302.378 3.414 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1F ZINC000852758829 620646267 /nfs/dbraw/zinc/64/62/67/620646267.db2.gz KCPBYEWGAGNSLR-CALCHBBNSA-N 1 0 320.364 3.127 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@H]1COc1ccc([N+](=O)[O-])cc1C=O ZINC000853643629 620719119 /nfs/dbraw/zinc/71/91/19/620719119.db2.gz KXALPLDBCHXEIO-HNNXBMFYSA-N 1 0 306.362 3.049 20 5 DGBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000853644892 620719773 /nfs/dbraw/zinc/71/97/73/620719773.db2.gz DHIYVUXQPUBGQA-OAHLLOKOSA-N 1 0 311.332 3.064 20 5 DGBDRO CC1(C)CCC[N@H+](CCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804661181 617617968 /nfs/dbraw/zinc/61/79/68/617617968.db2.gz RAYYWFUTMQIDEU-UHFFFAOYSA-N 1 0 322.365 3.037 20 5 DGBDRO C[NH+](C)CCCOC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000919280950 620743699 /nfs/dbraw/zinc/74/36/99/620743699.db2.gz XETXJXSYRNTWTD-UHFFFAOYSA-N 1 0 308.378 3.001 20 5 DGBDRO COc1c(O)ccc(C[N@H+]([C@H](C)C(C)C)C2CC2)c1[N+](=O)[O-] ZINC000891438738 617798877 /nfs/dbraw/zinc/79/88/77/617798877.db2.gz SZHIZQPLPWPORY-LLVKDONJSA-N 1 0 308.378 3.318 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000919721971 620763409 /nfs/dbraw/zinc/76/34/09/620763409.db2.gz IFBCTGXJOUFJFJ-CPUCHLNUSA-N 1 0 303.406 3.436 20 5 DGBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000894481649 618346191 /nfs/dbraw/zinc/34/61/91/618346191.db2.gz YTTHGNRMBXBOIU-JDGPPOGSSA-N 1 0 318.295 3.030 20 5 DGBDRO Cc1ccc(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000892950596 618365538 /nfs/dbraw/zinc/36/55/38/618365538.db2.gz HKHIRAVXPNZLFT-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000926891779 618393618 /nfs/dbraw/zinc/39/36/18/618393618.db2.gz KGDYYXIJOOEUJS-KBRIMQKVSA-N 1 0 303.406 3.262 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894796904 618459020 /nfs/dbraw/zinc/45/90/20/618459020.db2.gz MTHZILOADHICPW-GWKQRERASA-N 1 0 320.389 3.131 20 5 DGBDRO CC1(O)CCC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893404245 618547510 /nfs/dbraw/zinc/54/75/10/618547510.db2.gz ZAAXRMPGRQDHLG-UHFFFAOYSA-N 1 0 312.797 3.074 20 5 DGBDRO C[C@@H](CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000895290440 618588569 /nfs/dbraw/zinc/58/85/69/618588569.db2.gz IQGMSQYBGDQEDF-JTQLQIEISA-N 1 0 319.327 3.043 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2C=CCC2)cc1Br ZINC000895528553 618795104 /nfs/dbraw/zinc/79/51/04/618795104.db2.gz WSOXAFGGPFLYOJ-QMMMGPOBSA-N 1 0 317.208 3.475 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3(CC4CC4)CC3)nc2c1 ZINC000895530428 618795352 /nfs/dbraw/zinc/79/53/52/618795352.db2.gz ASBRLYBHVQNHAU-UHFFFAOYSA-N 1 0 301.346 3.406 20 5 DGBDRO C[N@@H+]1CCCC[C@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895587373 618803096 /nfs/dbraw/zinc/80/30/96/618803096.db2.gz QDUGEIBYKNAWGO-GFCCVEGCSA-N 1 0 311.813 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1Cl ZINC000895792438 618831496 /nfs/dbraw/zinc/83/14/96/618831496.db2.gz ZOZZUUAVUVVIGU-LBPRGKRZSA-N 1 0 310.781 3.297 20 5 DGBDRO CC1(C)CO[C@H](CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000895802047 618833526 /nfs/dbraw/zinc/83/35/26/618833526.db2.gz FUCRSHUDTHEHQH-GFCCVEGCSA-N 1 0 319.361 3.031 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000895845734 618840693 /nfs/dbraw/zinc/84/06/93/618840693.db2.gz IDXYQPULVJVJDI-DOMZBBRYSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846937 618841232 /nfs/dbraw/zinc/84/12/32/618841232.db2.gz SCSOZBHIXAKMMZ-AIESJDIKSA-N 1 0 302.374 3.109 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000895876897 618843652 /nfs/dbraw/zinc/84/36/52/618843652.db2.gz HSHHBIMWOULILC-OAHLLOKOSA-N 1 0 312.797 3.279 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000895942639 618853050 /nfs/dbraw/zinc/85/30/50/618853050.db2.gz JHZZEKNARBELHL-GBIKHYSHSA-N 1 0 313.195 3.419 20 5 DGBDRO COCC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000895970134 618856064 /nfs/dbraw/zinc/85/60/64/618856064.db2.gz DCIWVDSAWJSKEE-UHFFFAOYSA-N 1 0 318.398 3.402 20 5 DGBDRO O=[N+]([O-])c1ccc(CN(Cc2cnc(Cl)cn2)C2CC2)cc1 ZINC000788019677 619030750 /nfs/dbraw/zinc/03/07/50/619030750.db2.gz BHLBYWILJWJOAX-UHFFFAOYSA-N 1 0 318.764 3.203 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cn2ccnc2s1)c1ccccc1[N+](=O)[O-] ZINC000897458964 619129859 /nfs/dbraw/zinc/12/98/59/619129859.db2.gz GRIQAKAPZKATPT-NSHDSACASA-N 1 0 316.386 3.197 20 5 DGBDRO C[C@@H](CSCCF)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459692 619130244 /nfs/dbraw/zinc/13/02/44/619130244.db2.gz BUOKZMMXIKOCKX-NEPJUHHUSA-N 1 0 300.399 3.379 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000897465798 619130582 /nfs/dbraw/zinc/13/05/82/619130582.db2.gz IKNNNTQLXSBBQL-CKEIUWERSA-N 1 0 306.406 3.492 20 5 DGBDRO CC(C)Cn1nccc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464073 619130609 /nfs/dbraw/zinc/13/06/09/619130609.db2.gz KFWSLEGERVLOFJ-CQSZACIVSA-N 1 0 316.405 3.341 20 5 DGBDRO CCOc1cncc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897461791 619130634 /nfs/dbraw/zinc/13/06/34/619130634.db2.gz XPZQJAWHJWSLSN-CYBMUJFWSA-N 1 0 315.373 3.282 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000897465800 619130712 /nfs/dbraw/zinc/13/07/12/619130712.db2.gz IKNNNTQLXSBBQL-JKIFEVAISA-N 1 0 306.406 3.492 20 5 DGBDRO CCn1nc(C)c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000897469248 619131499 /nfs/dbraw/zinc/13/14/99/619131499.db2.gz GWXLXTJQXSOGMR-GFCCVEGCSA-N 1 0 316.405 3.321 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897955198 619198480 /nfs/dbraw/zinc/19/84/80/619198480.db2.gz QOOYTBOCPLCUDG-CZPYZCIJSA-N 1 0 317.389 3.090 20 5 DGBDRO CC1(C)CCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000898047384 619204607 /nfs/dbraw/zinc/20/46/07/619204607.db2.gz YRZSFVRXIDIJGK-GFCCVEGCSA-N 1 0 319.361 3.173 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927065926 619261620 /nfs/dbraw/zinc/26/16/20/619261620.db2.gz BFXMRBDYQOCLHG-YLQAJVPDSA-N 1 0 304.390 3.451 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]Cc2scnc2C)cc([N+](=O)[O-])c1 ZINC000903091050 619714581 /nfs/dbraw/zinc/71/45/81/619714581.db2.gz MARKYJFAPLWVJG-SECBINFHSA-N 1 0 307.375 3.219 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(C)nc2)cc([N+](=O)[O-])c1 ZINC000903094372 619719158 /nfs/dbraw/zinc/71/91/58/619719158.db2.gz YMULWPNQNZQWJY-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCc2ccncc2C)cc([N+](=O)[O-])c1 ZINC000903126938 619722485 /nfs/dbraw/zinc/72/24/85/619722485.db2.gz FXXLSLZTZWZYPV-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CC2(C)CCOCC2)cc([N+](=O)[O-])c1 ZINC000903127623 619722562 /nfs/dbraw/zinc/72/25/62/619722562.db2.gz ZCCCXXWUAVETFA-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000903150772 619729116 /nfs/dbraw/zinc/72/91/16/619729116.db2.gz BSORDZFIZUYQSD-YLVFBTJISA-N 1 0 320.389 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903184443 619732075 /nfs/dbraw/zinc/73/20/75/619732075.db2.gz BVFTXQMYVKULNU-UHXUPSOCSA-N 1 0 308.378 3.068 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCc2ccc(C)cn2)cc([N+](=O)[O-])c1 ZINC000903183716 619732172 /nfs/dbraw/zinc/73/21/72/619732172.db2.gz QDFYZIMUBGJYMV-ZDUSSCGKSA-N 1 0 315.373 3.200 20 5 DGBDRO COCC1(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CCC1 ZINC000903168033 619732449 /nfs/dbraw/zinc/73/24/49/619732449.db2.gz SKDMHHGOPILEBE-GFCCVEGCSA-N 1 0 308.378 3.071 20 5 DGBDRO COCC1(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CCC1 ZINC000903168034 619732503 /nfs/dbraw/zinc/73/25/03/619732503.db2.gz SKDMHHGOPILEBE-LBPRGKRZSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCN2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903196319 619734592 /nfs/dbraw/zinc/73/45/92/619734592.db2.gz MIXTZBCWUGQSNE-JSGCOSHPSA-N 1 0 321.421 3.127 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCCOC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903200474 619735247 /nfs/dbraw/zinc/73/52/47/619735247.db2.gz POVHTHOCNDEYTB-LBPRGKRZSA-N 1 0 310.394 3.459 20 5 DGBDRO Cn1cnc2cc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])ccc21 ZINC000903202687 619736044 /nfs/dbraw/zinc/73/60/44/619736044.db2.gz HQBRSSKYOILRCM-HNNXBMFYSA-N 1 0 322.368 3.259 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cc([N+](=O)[O-])c1 ZINC000903216785 619740392 /nfs/dbraw/zinc/74/03/92/619740392.db2.gz IMPMQRDDBCOTJE-HJSHSUPBSA-N 1 0 320.389 3.212 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000903246346 619742228 /nfs/dbraw/zinc/74/22/28/619742228.db2.gz SYZKHXOQYDNQJX-JSGCOSHPSA-N 1 0 302.378 3.173 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000903245690 619743574 /nfs/dbraw/zinc/74/35/74/619743574.db2.gz OACGBFIXCUDHAH-OLZOCXBDSA-N 1 0 315.373 3.453 20 5 DGBDRO C[C@H](C[NH2+][C@H]1CCCn2nccc21)c1ccccc1[N+](=O)[O-] ZINC000903244963 619743660 /nfs/dbraw/zinc/74/36/60/619743660.db2.gz HBVABZNWFLMOAA-OCCSQVGLSA-N 1 0 300.362 3.020 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCOC12CCCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903269335 619749744 /nfs/dbraw/zinc/74/97/44/619749744.db2.gz WCIHXJDECWDTRW-BLLLJJGKSA-N 1 0 319.405 3.319 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000903287469 619754381 /nfs/dbraw/zinc/75/43/81/619754381.db2.gz PHJOIUDMWMYFOT-ZTRDIVRJSA-N 1 0 302.374 3.059 20 5 DGBDRO CO[C@@]1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCSC1 ZINC000903310622 619757256 /nfs/dbraw/zinc/75/72/56/619757256.db2.gz MWXQIVXEBQHJQK-IUODEOHRSA-N 1 0 310.419 3.076 20 5 DGBDRO CC[C@H]([NH2+]C[C@]1(OC)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000903311213 619757594 /nfs/dbraw/zinc/75/75/94/619757594.db2.gz QGOOFROUKWJDPT-LSDHHAIUSA-N 1 0 310.419 3.158 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(C)(C)OC)cc1[N+](=O)[O-] ZINC000903332412 619762818 /nfs/dbraw/zinc/76/28/18/619762818.db2.gz RZMFHUJOSBOUMK-RYUDHWBXSA-N 1 0 310.394 3.458 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(CCO)cc1 ZINC000903395509 619767148 /nfs/dbraw/zinc/76/71/48/619767148.db2.gz DWEADLWKSONIJA-CQSZACIVSA-N 1 0 314.385 3.289 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(CCO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000903397192 619767334 /nfs/dbraw/zinc/76/73/34/619767334.db2.gz OQKVXNPRBAHGFO-SFHVURJKSA-N 1 0 314.385 3.371 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCOC12CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000903389027 619770608 /nfs/dbraw/zinc/77/06/08/619770608.db2.gz OEUUCZWDCNMTPI-FZMZJTMJSA-N 1 0 308.353 3.486 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCOC12CCCC2 ZINC000903390970 619771070 /nfs/dbraw/zinc/77/10/70/619771070.db2.gz XSMNKQQISLHWIF-LRDDRELGSA-N 1 0 320.389 3.356 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000903435373 619775180 /nfs/dbraw/zinc/77/51/80/619775180.db2.gz DFYSNHJKTHPUHF-TUKIKUTGSA-N 1 0 320.389 3.069 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959899 619840119 /nfs/dbraw/zinc/84/01/19/619840119.db2.gz RMTUDJUTMNKJCV-FZMUQLTDSA-N 1 0 315.417 3.074 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@H]2CCC(F)(F)C2)cc1 ZINC000905674862 620017676 /nfs/dbraw/zinc/01/76/76/620017676.db2.gz JWVCYJVVKDGKOF-RISCZKNCSA-N 1 0 314.332 3.043 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c(F)c1 ZINC000922422698 621035858 /nfs/dbraw/zinc/03/58/58/621035858.db2.gz RPUJDUXMRZEKAL-FTNCPSPGSA-N 1 0 310.394 3.498 20 5 DGBDRO COc1cc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000922431666 621037549 /nfs/dbraw/zinc/03/75/49/621037549.db2.gz BOFMKDPBYCKAJL-OUCADQQQSA-N 1 0 320.389 3.138 20 5 DGBDRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C ZINC000922557491 621057288 /nfs/dbraw/zinc/05/72/88/621057288.db2.gz PEUMMTAIZJMILW-BLLLJJGKSA-N 1 0 315.373 3.037 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@](C)(O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000922565454 621058204 /nfs/dbraw/zinc/05/82/04/621058204.db2.gz BQLNOQGMQFLERC-KRWDZBQOSA-N 1 0 318.348 3.040 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000922892050 621119526 /nfs/dbraw/zinc/11/95/26/621119526.db2.gz MPLZGCJOOOJHFU-NVXWUHKLSA-N 1 0 304.390 3.198 20 5 DGBDRO CC(C)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000922892318 621119994 /nfs/dbraw/zinc/11/99/94/621119994.db2.gz AESYBHRBMLKKGY-BQLWYNFJSA-N 1 0 314.389 3.328 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(c3ccccc3)CCCO2)c1 ZINC000922959934 621136783 /nfs/dbraw/zinc/13/67/83/621136783.db2.gz HDBIPTZWIUTBAE-SFHVURJKSA-N 1 0 312.369 3.390 20 5 DGBDRO Cc1c(C[NH2+][C@H]2c3ccccc3CC[C@H]2O)cccc1[N+](=O)[O-] ZINC000922989263 621144416 /nfs/dbraw/zinc/14/44/16/621144416.db2.gz GKHZAYOCWLJVBJ-MSOLQXFVSA-N 1 0 312.369 3.041 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000923027806 621147926 /nfs/dbraw/zinc/14/79/26/621147926.db2.gz OUUUVYGZABAEBW-BIENSFFJSA-N 1 0 302.374 3.299 20 5 DGBDRO COC1CC(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000859325637 621270146 /nfs/dbraw/zinc/27/01/46/621270146.db2.gz YUJRGFIZSZHUMV-GULBITTBSA-N 1 0 304.390 3.199 20 5 DGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000839181407 621343790 /nfs/dbraw/zinc/34/37/90/621343790.db2.gz IARFYJBECXEWQD-UONOGXRCSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000753849977 621468700 /nfs/dbraw/zinc/46/87/00/621468700.db2.gz GQOXVSZTXZWQSD-PHIMTYICSA-N 1 0 302.334 3.018 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000754324573 621503057 /nfs/dbraw/zinc/50/30/57/621503057.db2.gz LGSHWBQFOVBUHW-KBPBESRZSA-N 1 0 321.402 3.134 20 5 DGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1csc2ccccc12 ZINC000754729431 621529012 /nfs/dbraw/zinc/52/90/12/621529012.db2.gz CQXCCQYYCHKGFV-LLVKDONJSA-N 1 0 316.386 3.357 20 5 DGBDRO C[N@@H+]1CCCC[C@@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862481875 621593551 /nfs/dbraw/zinc/59/35/51/621593551.db2.gz AKPOJOHYFTYLHG-ZDUSSCGKSA-N 1 0 311.813 3.070 20 5 DGBDRO CC1(C)CCC[C@@H]1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863560392 621683412 /nfs/dbraw/zinc/68/34/12/621683412.db2.gz HGOMXCRDNRASDV-ZBFHGGJFSA-N 1 0 306.406 3.434 20 5 DGBDRO CC1(C)CCC[C@H]1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863560390 621683562 /nfs/dbraw/zinc/68/35/62/621683562.db2.gz HGOMXCRDNRASDV-GOEBONIOSA-N 1 0 306.406 3.434 20 5 DGBDRO CCC[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000757611781 621728396 /nfs/dbraw/zinc/72/83/96/621728396.db2.gz VKYWVEMOKWIPRL-CYBMUJFWSA-N 1 0 317.393 3.118 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000760127115 621916742 /nfs/dbraw/zinc/91/67/42/621916742.db2.gz NDAXKIIQOZCHFP-XMELGKRDSA-N 1 0 318.373 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)c(C(F)F)c1 ZINC000865527013 621943912 /nfs/dbraw/zinc/94/39/12/621943912.db2.gz AUOGPKROVZJGIF-NSHDSACASA-N 1 0 311.332 3.429 20 5 DGBDRO CN1Cc2ccccc2[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000865807688 621999208 /nfs/dbraw/zinc/99/92/08/621999208.db2.gz WIQKPEVWSCLYMR-QBUQCISBSA-N 1 0 323.396 3.384 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1Cl ZINC000761526466 622014790 /nfs/dbraw/zinc/01/47/90/622014790.db2.gz DQMNJDKQXLJTOO-LBPRGKRZSA-N 1 0 310.781 3.440 20 5 DGBDRO Cc1cc(N2CCC3(CC2)CC[NH+](C)CC3)c([N+](=O)[O-])s1 ZINC000866055081 622039198 /nfs/dbraw/zinc/03/91/98/622039198.db2.gz OLIMFLGYOFCNFP-UHFFFAOYSA-N 1 0 309.435 3.277 20 5 DGBDRO C[N@@H+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CCC1(C)C ZINC000866112494 622047451 /nfs/dbraw/zinc/04/74/51/622047451.db2.gz CUALIGDFSAYRNS-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[N@@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CCC1(C)C ZINC000866113072 622047515 /nfs/dbraw/zinc/04/75/15/622047515.db2.gz RTYQNGGLOSPGOB-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO C[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CCC1(C)C ZINC000866112496 622047724 /nfs/dbraw/zinc/04/77/24/622047724.db2.gz CUUSFLCZHTXXBY-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC1CCC(C)([NH+](C)C)CC1 ZINC000866148836 622055614 /nfs/dbraw/zinc/05/56/14/622055614.db2.gz WVRVOIXEXVXCFG-UHFFFAOYSA-N 1 0 321.421 3.416 20 5 DGBDRO Cc1nn(C[N@H+]2CC3(CCC3)C[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000762138873 622056851 /nfs/dbraw/zinc/05/68/51/622056851.db2.gz NNUYNAFXHURRMF-GFCCVEGCSA-N 1 0 314.389 3.475 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccn1 ZINC000866214379 622067241 /nfs/dbraw/zinc/06/72/41/622067241.db2.gz NXBTVBZCKMVZFG-RYUDHWBXSA-N 1 0 303.337 3.411 20 5 DGBDRO Cc1csc(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866229423 622071007 /nfs/dbraw/zinc/07/10/07/622071007.db2.gz PMGZMOQMZOKTLK-JTQLQIEISA-N 1 0 323.393 3.262 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOC1CCCC1 ZINC000866249891 622075891 /nfs/dbraw/zinc/07/58/91/622075891.db2.gz PUBULFRQVUNUNL-LBPRGKRZSA-N 1 0 310.369 3.214 20 5 DGBDRO CSCC[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866269587 622081020 /nfs/dbraw/zinc/08/10/20/622081020.db2.gz JYXVBPPSCAYEMW-GHMZBOCLSA-N 1 0 300.399 3.396 20 5 DGBDRO CCC(CC)(CO)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866311818 622091069 /nfs/dbraw/zinc/09/10/69/622091069.db2.gz WFQRKGGTUIVPGT-GFCCVEGCSA-N 1 0 312.385 3.053 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000866337240 622096975 /nfs/dbraw/zinc/09/69/75/622096975.db2.gz VTTKRSMJYLALTH-MCIONIFRSA-N 1 0 324.396 3.460 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)C(C)(C)O ZINC000866370425 622105004 /nfs/dbraw/zinc/10/50/04/622105004.db2.gz WGRDAPNSBDYUTI-LLVKDONJSA-N 1 0 312.385 3.052 20 5 DGBDRO COCC1CCC([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866376160 622106664 /nfs/dbraw/zinc/10/66/64/622106664.db2.gz SUUZTXULVDETRP-VEAWUBTESA-N 1 0 324.396 3.460 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1SCCS1 ZINC000866391974 622109254 /nfs/dbraw/zinc/10/92/54/622109254.db2.gz UMSGYIXMLAUULA-SECBINFHSA-N 1 0 316.423 3.061 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCOC1 ZINC000866396097 622110554 /nfs/dbraw/zinc/11/05/54/622110554.db2.gz MPLYHYZTLLJHHD-OLZOCXBDSA-N 1 0 310.369 3.071 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCC34CC4)CC2)cc1 ZINC000866410621 622113089 /nfs/dbraw/zinc/11/30/89/622113089.db2.gz OKNFZYHEFMZLIS-QGZVFWFLSA-N 1 0 315.417 3.486 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cccc([N+](=O)[O-])c1C(C)=O ZINC000763204576 622129721 /nfs/dbraw/zinc/12/97/21/622129721.db2.gz UUNUIWLMZMXYPS-CYBMUJFWSA-N 1 0 305.378 3.084 20 5 DGBDRO C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccc([N+](=O)[O-])cc1 ZINC000866572176 622140788 /nfs/dbraw/zinc/14/07/88/622140788.db2.gz YLYYWVHOYQGCSR-CYBMUJFWSA-N 1 0 324.384 3.375 20 5 DGBDRO C[C@H](C(=O)OCC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000763401827 622143253 /nfs/dbraw/zinc/14/32/53/622143253.db2.gz HPFKTFYTRMCFRI-DZGCQCFKSA-N 1 0 320.389 3.116 20 5 DGBDRO CCCC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000764882791 622229668 /nfs/dbraw/zinc/22/96/68/622229668.db2.gz NIUIEHFMWCNQTR-UHFFFAOYSA-N 1 0 302.378 3.475 20 5 DGBDRO Cc1nn(C[N@H+](C)CC2CCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764943844 622234347 /nfs/dbraw/zinc/23/43/47/622234347.db2.gz HXMVCPFSIGKAQJ-UHFFFAOYSA-N 1 0 302.378 3.332 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](C)Cc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000765439776 622265563 /nfs/dbraw/zinc/26/55/63/622265563.db2.gz LIHMIDZNBHTKOI-CXAGYDPISA-N 1 0 314.389 3.447 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1C ZINC000765635917 622278717 /nfs/dbraw/zinc/27/87/17/622278717.db2.gz NWLGHJAXZCKPJW-WDEREUQCSA-N 1 0 320.418 3.123 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000766224090 622313308 /nfs/dbraw/zinc/31/33/08/622313308.db2.gz LKTHBROWPJAVQA-OAHLLOKOSA-N 1 0 323.824 3.355 20 5 DGBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766253195 622314828 /nfs/dbraw/zinc/31/48/28/622314828.db2.gz JRWHNLRSKJTUES-NEPJUHHUSA-N 1 0 311.813 3.163 20 5 DGBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000766375319 622325388 /nfs/dbraw/zinc/32/53/88/622325388.db2.gz UGMNKJBTEZJSMI-NWDGAFQWSA-N 1 0 302.378 3.188 20 5 DGBDRO CC1(O)CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000766474608 622332587 /nfs/dbraw/zinc/33/25/87/622332587.db2.gz AODCWUVCEMLPPK-PQUAAJSLSA-N 1 0 318.417 3.199 20 5 DGBDRO CC1(C)CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000767439199 622399678 /nfs/dbraw/zinc/39/96/78/622399678.db2.gz FQWYXEOGTXUUKP-UHFFFAOYSA-N 1 0 322.365 3.037 20 5 DGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000767764225 622420488 /nfs/dbraw/zinc/42/04/88/622420488.db2.gz ROGUYNGAFSJERB-MRXNPFEDSA-N 1 0 314.389 3.236 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(C)(O)CC2)cc1[N+](=O)[O-] ZINC000768107081 622438690 /nfs/dbraw/zinc/43/86/90/622438690.db2.gz LMTRIGUNYBCXPD-RFSCMCKOSA-N 1 0 322.405 3.338 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccon1 ZINC000768104618 622438750 /nfs/dbraw/zinc/43/87/50/622438750.db2.gz BIDZIDYXTINSBD-LLVKDONJSA-N 1 0 307.375 3.243 20 5 DGBDRO CC[NH+](CC)[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])c1ccco1 ZINC000881855975 625577517 /nfs/dbraw/zinc/57/75/17/625577517.db2.gz BTHJNBVEEZATHO-LBPRGKRZSA-N 1 0 322.340 3.217 20 5 DGBDRO Cc1ccc(F)c(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000769911062 622575267 /nfs/dbraw/zinc/57/52/67/622575267.db2.gz WEKFLARZAGCGGW-QGZVFWFLSA-N 1 0 318.348 3.208 20 5 DGBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769914077 622576198 /nfs/dbraw/zinc/57/61/98/622576198.db2.gz UVYWAOJYULWAQU-HNNXBMFYSA-N 1 0 312.797 3.375 20 5 DGBDRO O=[N+]([O-])c1c(F)nccc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000881858909 625578092 /nfs/dbraw/zinc/57/80/92/625578092.db2.gz QMPSITGQQYMZMJ-UHFFFAOYSA-N 1 0 322.384 3.195 20 5 DGBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000770223010 622614196 /nfs/dbraw/zinc/61/41/96/622614196.db2.gz QTSOPTSNILXBBC-UHFFFAOYSA-N 1 0 317.311 3.144 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(CCCC[NH+]3CCCC3)n2)s1 ZINC000771216279 622728828 /nfs/dbraw/zinc/72/88/28/622728828.db2.gz MYTTZLVTTBPVOI-UHFFFAOYSA-N 1 0 322.390 3.125 20 5 DGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872034031 622764909 /nfs/dbraw/zinc/76/49/09/622764909.db2.gz FDTOPJYQJJOHIJ-LBPRGKRZSA-N 1 0 303.337 3.331 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000872036665 622766623 /nfs/dbraw/zinc/76/66/23/622766623.db2.gz UTSJMGJMNWRAOP-QWHCGFSZSA-N 1 0 323.462 3.309 20 5 DGBDRO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040845 622769404 /nfs/dbraw/zinc/76/94/04/622769404.db2.gz NSVZKKPDDGINDX-QWHCGFSZSA-N 1 0 312.385 3.429 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)CCO ZINC000872041772 622769868 /nfs/dbraw/zinc/76/98/68/622769868.db2.gz VRYDVQFECZZVEL-NSHDSACASA-N 1 0 312.435 3.376 20 5 DGBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872042319 622770845 /nfs/dbraw/zinc/77/08/45/622770845.db2.gz BQYUOWYGZNEQBV-SUNKGSAMSA-N 1 0 322.336 3.490 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1F ZINC000872045545 622772205 /nfs/dbraw/zinc/77/22/05/622772205.db2.gz OEIXPVBRUHRKDL-LLVKDONJSA-N 1 0 320.320 3.169 20 5 DGBDRO CO[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872074566 622790779 /nfs/dbraw/zinc/79/07/79/622790779.db2.gz YJKZTEZQLCWRMF-HZMBPMFUSA-N 1 0 310.419 3.392 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)CCCO ZINC000872075101 622791307 /nfs/dbraw/zinc/79/13/07/622791307.db2.gz OBUPJPIXAYGUIJ-NWDGAFQWSA-N 1 0 312.435 3.376 20 5 DGBDRO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076979 622791926 /nfs/dbraw/zinc/79/19/26/622791926.db2.gz WSSXQXACOJYARU-ODWCKFRGSA-N 1 0 307.369 3.010 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872092811 622801170 /nfs/dbraw/zinc/80/11/70/622801170.db2.gz RIKQEYQXAPWGEO-UBHSHLNASA-N 1 0 322.380 3.447 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000872105110 622807853 /nfs/dbraw/zinc/80/78/53/622807853.db2.gz AQPFDFHBIBHLKI-SMDDNHRTSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872107342 622809667 /nfs/dbraw/zinc/80/96/67/622809667.db2.gz LPSKDZWEDVOFBP-ASHKBJFXSA-N 1 0 308.353 3.342 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872108216 622810515 /nfs/dbraw/zinc/81/05/15/622810515.db2.gz RWUPRDRSGNYWSH-LMRQPLJMSA-N 1 0 320.389 3.212 20 5 DGBDRO CC(C)OC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000872115407 622816915 /nfs/dbraw/zinc/81/69/15/622816915.db2.gz KJZXQQGWQIKVSI-LBPRGKRZSA-N 1 0 307.394 3.175 20 5 DGBDRO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000872132038 622825415 /nfs/dbraw/zinc/82/54/15/622825415.db2.gz BJEONKIGUIAISY-TZMCWYRMSA-N 1 0 314.389 3.365 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CCC3(CC3)CC2)c1 ZINC000872223616 622861713 /nfs/dbraw/zinc/86/17/13/622861713.db2.gz USAXADFEZNRULT-INIZCTEOSA-N 1 0 304.390 3.188 20 5 DGBDRO CC[C@H](CSC)[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000773257487 623005486 /nfs/dbraw/zinc/00/54/86/623005486.db2.gz YDIUFYVRDUMJMO-GFCCVEGCSA-N 1 0 322.434 3.284 20 5 DGBDRO Cc1noc(C)c1CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873048373 623025665 /nfs/dbraw/zinc/02/56/65/623025665.db2.gz YRSYVQJEFVZVPU-UHFFFAOYSA-N 1 0 303.362 3.149 20 5 DGBDRO Cc1nccn1CCCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873060918 623027973 /nfs/dbraw/zinc/02/79/73/623027973.db2.gz NBXXFXBDUFZGJW-UHFFFAOYSA-N 1 0 316.405 3.287 20 5 DGBDRO CSC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCOCC1 ZINC000873060782 623028109 /nfs/dbraw/zinc/02/81/09/623028109.db2.gz BVVONRZVEXOMPV-UHFFFAOYSA-N 1 0 324.446 3.213 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000873069349 623030059 /nfs/dbraw/zinc/03/00/59/623030059.db2.gz DBCUOJYGYBFKLD-SJKOYZFVSA-N 1 0 318.348 3.254 20 5 DGBDRO Cc1c(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000873106095 623037060 /nfs/dbraw/zinc/03/70/60/623037060.db2.gz HWXSKZLVNSAWSW-IRXDYDNUSA-N 1 0 304.390 3.198 20 5 DGBDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873126538 623042403 /nfs/dbraw/zinc/04/24/03/623042403.db2.gz UCIFGBKFCNFSJY-RDTXWAMCSA-N 1 0 314.385 3.423 20 5 DGBDRO Cc1c(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000873132880 623044090 /nfs/dbraw/zinc/04/40/90/623044090.db2.gz JKMRNSNCBNOPEL-IAGOWNOFSA-N 1 0 304.390 3.341 20 5 DGBDRO Cc1c(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873148698 623049986 /nfs/dbraw/zinc/04/99/86/623049986.db2.gz GQMJKZFRONSJNV-DOTOQJQBSA-N 1 0 304.390 3.198 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CCC[C@@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000873161686 623057673 /nfs/dbraw/zinc/05/76/73/623057673.db2.gz BSNRLGOOOWWHKB-CQSZACIVSA-N 1 0 320.389 3.151 20 5 DGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000774620739 623167258 /nfs/dbraw/zinc/16/72/58/623167258.db2.gz VRMKFUAAWIPIEU-NHYWBVRUSA-N 1 0 302.378 3.331 20 5 DGBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775176939 623238621 /nfs/dbraw/zinc/23/86/21/623238621.db2.gz NRXZAMBNQHOLDI-HNNXBMFYSA-N 1 0 312.797 3.375 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000775425510 623273784 /nfs/dbraw/zinc/27/37/84/623273784.db2.gz XYMOTQXZIOIXDB-ILXRZTDVSA-N 1 0 324.471 3.107 20 5 DGBDRO C[C@@H](NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000874625835 623307967 /nfs/dbraw/zinc/30/79/67/623307967.db2.gz XAZXTRYHMRZKBB-XJFOESAGSA-N 1 0 319.405 3.033 20 5 DGBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000776273994 623405241 /nfs/dbraw/zinc/40/52/41/623405241.db2.gz AXNHDMPYMADUCE-PXAZEXFGSA-N 1 0 318.348 3.161 20 5 DGBDRO CC(C)C[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278449 623405670 /nfs/dbraw/zinc/40/56/70/623405670.db2.gz SYGUKXUQQPKREA-PBHICJAKSA-N 1 0 306.406 3.386 20 5 DGBDRO Cc1cc(C)c(OC(=O)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000875062447 623412844 /nfs/dbraw/zinc/41/28/44/623412844.db2.gz UFYFQGRVPLGUAO-UHFFFAOYSA-N 1 0 320.389 3.237 20 5 DGBDRO CC[N@H+](CCc1cccs1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578679 623442203 /nfs/dbraw/zinc/44/22/03/623442203.db2.gz HRUZTYGOIHKIJC-MRXNPFEDSA-N 1 0 320.414 3.254 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C1(C)CC1 ZINC000776883673 623474119 /nfs/dbraw/zinc/47/41/19/623474119.db2.gz PGRAALPMRIFCQR-RYUDHWBXSA-N 1 0 305.378 3.090 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCOC2CCC2)cc1[N+](=O)[O-] ZINC000777122892 623498420 /nfs/dbraw/zinc/49/84/20/623498420.db2.gz ZYBDYQGCNYKZJL-LBPRGKRZSA-N 1 0 308.378 3.213 20 5 DGBDRO CC[C@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777964382 623592532 /nfs/dbraw/zinc/59/25/32/623592532.db2.gz ORGMZQRSYZUDMS-ZDUSSCGKSA-N 1 0 300.362 3.148 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc(F)nc1 ZINC000778178936 623621284 /nfs/dbraw/zinc/62/12/84/623621284.db2.gz PEVIYCKDUOAOPU-UHFFFAOYSA-N 1 0 309.728 3.115 20 5 DGBDRO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778426786 623656884 /nfs/dbraw/zinc/65/68/84/623656884.db2.gz BQBLEDCVTXGQHF-XHDPSFHLSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778429165 623656907 /nfs/dbraw/zinc/65/69/07/623656907.db2.gz VLSJGIOULVWWPD-XHDPSFHLSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000876619006 623661191 /nfs/dbraw/zinc/66/11/91/623661191.db2.gz LVXMCPMLVILDFR-AWEZNQCLSA-N 1 0 314.389 3.314 20 5 DGBDRO Cn1cc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000876682799 623681104 /nfs/dbraw/zinc/68/11/04/623681104.db2.gz OLTOZRDOWYHKGO-HNNXBMFYSA-N 1 0 314.389 3.098 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000876804737 623710973 /nfs/dbraw/zinc/71/09/73/623710973.db2.gz TYTSLYIVYVVDAY-RHSMWYFYSA-N 1 0 304.390 3.213 20 5 DGBDRO C[C@H](Cc1ccco1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000876916918 623744175 /nfs/dbraw/zinc/74/41/75/623744175.db2.gz JGZUQBIGHIXVKU-SNVBAGLBSA-N 1 0 301.302 3.050 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000876970545 623757197 /nfs/dbraw/zinc/75/71/97/623757197.db2.gz UPTDRMAABYLMJD-UHFFFAOYSA-N 1 0 314.389 3.408 20 5 DGBDRO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCCC1 ZINC000876980148 623759064 /nfs/dbraw/zinc/75/90/64/623759064.db2.gz YFWYSJJNMATJIJ-LRVUVFPRSA-N 1 0 306.410 3.301 20 5 DGBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877007324 623765224 /nfs/dbraw/zinc/76/52/24/623765224.db2.gz LZTQCDLWYIYRRO-FPCDFSMTSA-N 1 0 306.410 3.299 20 5 DGBDRO C[C@@H]1CCCC[C@H]1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877039734 623773430 /nfs/dbraw/zinc/77/34/30/623773430.db2.gz OTQNZUNJXYLJCS-DNDYEEKYSA-N 1 0 306.410 3.301 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc(Cl)nn2)cc1 ZINC000877068952 623783290 /nfs/dbraw/zinc/78/32/90/623783290.db2.gz DTQWAMSXDRBVGJ-UHFFFAOYSA-N 1 0 320.780 3.151 20 5 DGBDRO Cc1nn(C[N@@H+](CCc2ccccc2)CC(C)C)cc1[N+](=O)[O-] ZINC000779858515 623822713 /nfs/dbraw/zinc/82/27/13/623822713.db2.gz HNRQTDUGABZUDM-UHFFFAOYSA-N 1 0 316.405 3.258 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2CC2CCCCC2)cc1[N+](=O)[O-] ZINC000779860420 623823668 /nfs/dbraw/zinc/82/36/68/623823668.db2.gz YURCPEJDDDAGEZ-HNNXBMFYSA-N 1 0 306.410 3.492 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000877307812 623847057 /nfs/dbraw/zinc/84/70/57/623847057.db2.gz YHOUQFDEJKDLHH-INIZCTEOSA-N 1 0 318.417 3.460 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000877307813 623847849 /nfs/dbraw/zinc/84/78/49/623847849.db2.gz YHOUQFDEJKDLHH-MRXNPFEDSA-N 1 0 318.417 3.460 20 5 DGBDRO C[C@@H]1CCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@H]1C ZINC000877495452 623910903 /nfs/dbraw/zinc/91/09/03/623910903.db2.gz WZFVRVUIBLXEBK-RIUMEUQESA-N 1 0 306.410 3.157 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3(C4CCC4)CCC3)C2)c1 ZINC000877578223 623950466 /nfs/dbraw/zinc/95/04/66/623950466.db2.gz ZBZACBAXOBGIKT-UHFFFAOYSA-N 1 0 304.394 3.055 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](C3CCC3)C3CCCC3)C2)c1 ZINC000877605154 623958791 /nfs/dbraw/zinc/95/87/91/623958791.db2.gz OBUSIJPHBLQDOP-DQPZFDDXSA-N 1 0 318.421 3.443 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc4occc4c3)C2)c1 ZINC000877623893 623967454 /nfs/dbraw/zinc/96/74/54/623967454.db2.gz CXJFSMRBDJTQCW-UHFFFAOYSA-N 1 0 312.329 3.031 20 5 DGBDRO CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC(F)(F)F ZINC000877643103 623975176 /nfs/dbraw/zinc/97/51/76/623975176.db2.gz DLBJPLWKZJZTFZ-UHFFFAOYSA-N 1 0 320.315 3.063 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC(C3CCC3)C3CCC3)C2)c1 ZINC000877647146 623976604 /nfs/dbraw/zinc/97/66/04/623976604.db2.gz AITSRBAWHQOXLG-UHFFFAOYSA-N 1 0 318.421 3.301 20 5 DGBDRO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCCO1 ZINC000877702688 623997713 /nfs/dbraw/zinc/99/77/13/623997713.db2.gz XBHDACQWTFRDFF-AWEZNQCLSA-N 1 0 319.361 3.173 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877739906 624012034 /nfs/dbraw/zinc/01/20/34/624012034.db2.gz ICUWQCJBQPBBGK-YHWWFLPASA-N 1 0 315.417 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877742204 624014580 /nfs/dbraw/zinc/01/45/80/624014580.db2.gz XXOBXNYGFLZFED-ZYHUDNBSSA-N 1 0 312.822 3.433 20 5 DGBDRO CC(C)(O)[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877796274 624037447 /nfs/dbraw/zinc/03/74/47/624037447.db2.gz BRVAQCTWFXKREX-PXTSUWAFSA-N 1 0 304.390 3.091 20 5 DGBDRO CC1([NH+]2CCCCC2)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000877795612 624037791 /nfs/dbraw/zinc/03/77/91/624037791.db2.gz PROAQBPFXUUAGZ-UHFFFAOYSA-N 1 0 317.433 3.435 20 5 DGBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000877797205 624038413 /nfs/dbraw/zinc/03/84/13/624038413.db2.gz QLUNWTVRPRMYKN-LBPRGKRZSA-N 1 0 312.797 3.231 20 5 DGBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000877832194 624061904 /nfs/dbraw/zinc/06/19/04/624061904.db2.gz HVZHIYMNZOJVBJ-ROUUACIJSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000781586652 624099291 /nfs/dbraw/zinc/09/92/91/624099291.db2.gz NBFZNSYTFSMMSQ-CXAGYDPISA-N 1 0 314.389 3.414 20 5 DGBDRO CC1(C)CC[NH+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878038350 624144887 /nfs/dbraw/zinc/14/48/87/624144887.db2.gz HTRRNCPAZSUIAS-UHFFFAOYSA-N 1 0 316.361 3.267 20 5 DGBDRO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CCC1 ZINC000878135802 624183826 /nfs/dbraw/zinc/18/38/26/624183826.db2.gz NPYOHHJGYRMWPW-UHFFFAOYSA-N 1 0 322.752 3.283 20 5 DGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878341027 624249731 /nfs/dbraw/zinc/24/97/31/624249731.db2.gz RGUSUMGFFTXKHZ-NWDGAFQWSA-N 1 0 316.361 3.408 20 5 DGBDRO CC[C@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782511217 624257955 /nfs/dbraw/zinc/25/79/55/624257955.db2.gz PYBLYBQIJHIAFC-MRXNPFEDSA-N 1 0 323.368 3.185 20 5 DGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532331 624261261 /nfs/dbraw/zinc/26/12/61/624261261.db2.gz SQPNWRVLSZWKFF-VXGBXAGGSA-N 1 0 323.368 3.325 20 5 DGBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000782656673 624271426 /nfs/dbraw/zinc/27/14/26/624271426.db2.gz TUTHPEJSZOXOME-OLZOCXBDSA-N 1 0 320.311 3.195 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000878433882 624277550 /nfs/dbraw/zinc/27/75/50/624277550.db2.gz NHOZUNCFCWLEKB-INIZCTEOSA-N 1 0 314.389 3.327 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCSC1 ZINC000783587251 624370822 /nfs/dbraw/zinc/37/08/22/624370822.db2.gz DAMJQZXPZWJPTC-GFCCVEGCSA-N 1 0 300.811 3.276 20 5 DGBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000783595161 624372742 /nfs/dbraw/zinc/37/27/42/624372742.db2.gz JPBFJPZJTHDXDZ-UHFFFAOYSA-N 1 0 319.792 3.474 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783607725 624374109 /nfs/dbraw/zinc/37/41/09/624374109.db2.gz UYCZNLVEUHAPGW-CYBMUJFWSA-N 1 0 311.813 3.070 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879406763 624535271 /nfs/dbraw/zinc/53/52/71/624535271.db2.gz RGTFARHQFAXWAO-OAHLLOKOSA-N 1 0 308.378 3.041 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000879419308 624540849 /nfs/dbraw/zinc/54/08/49/624540849.db2.gz LFOPMJIDEFDDIE-KBMXLJTQSA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000879419304 624541044 /nfs/dbraw/zinc/54/10/44/624541044.db2.gz LFOPMJIDEFDDIE-BPUTZDHNSA-N 1 0 324.808 3.374 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963478 624738436 /nfs/dbraw/zinc/73/84/36/624738436.db2.gz KGQDPCJMVQRXEC-UONOGXRCSA-N 1 0 306.406 3.447 20 5 DGBDRO Cc1csc([C@@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000880011085 624752591 /nfs/dbraw/zinc/75/25/91/624752591.db2.gz LPVCPWCSGKPISA-LLVKDONJSA-N 1 0 321.377 3.488 20 5 DGBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000785988350 624774996 /nfs/dbraw/zinc/77/49/96/624774996.db2.gz LTHJTNPCYTYNCI-JRPNMDOOSA-N 1 0 312.797 3.230 20 5 DGBDRO Cc1c(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000880224388 624851059 /nfs/dbraw/zinc/85/10/59/624851059.db2.gz IIXBEBCIRJXQNK-MAEOIBBWSA-N 1 0 312.369 3.043 20 5 DGBDRO COc1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000880315901 624912446 /nfs/dbraw/zinc/91/24/46/624912446.db2.gz AVRXSZVOPIQSOT-GFCCVEGCSA-N 1 0 319.386 3.049 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCCCC1 ZINC000786582781 624925962 /nfs/dbraw/zinc/92/59/62/624925962.db2.gz XMNUKPAFHXJGLF-UHFFFAOYSA-N 1 0 305.378 3.085 20 5 DGBDRO CCc1cc(C[NH2+]CC(C)=Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000786814525 624956151 /nfs/dbraw/zinc/95/61/51/624956151.db2.gz PEHTUEVZTORFKW-GHXNOFRVSA-N 1 0 300.362 3.073 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOc1cccnc1 ZINC000786817575 624956343 /nfs/dbraw/zinc/95/63/43/624956343.db2.gz ZVGUMJRRHNIQHJ-GXDHUFHOSA-N 1 0 313.357 3.062 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)([NH+]2CCC2)CC1 ZINC000880470781 624963813 /nfs/dbraw/zinc/96/38/13/624963813.db2.gz MWXONSQEMBZSAV-CQSZACIVSA-N 1 0 303.406 3.216 20 5 DGBDRO CCOC(CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)OCC ZINC000786970221 624968877 /nfs/dbraw/zinc/96/88/77/624968877.db2.gz PQPBDOSTVNXVQD-CYBMUJFWSA-N 1 0 310.394 3.343 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])CC(C)C ZINC000787893332 625070468 /nfs/dbraw/zinc/07/04/68/625070468.db2.gz XUHPLMJWEMQQGC-AWEZNQCLSA-N 1 0 308.426 3.345 20 5 DGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788481072 625193721 /nfs/dbraw/zinc/19/37/21/625193721.db2.gz POOQDEHWFOYNLK-CQSZACIVSA-N 1 0 309.385 3.040 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000788509728 625202794 /nfs/dbraw/zinc/20/27/94/625202794.db2.gz ZFGPDACTLWZPSG-LLVKDONJSA-N 1 0 303.337 3.475 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)c2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000788575689 625218521 /nfs/dbraw/zinc/21/85/21/625218521.db2.gz IQBAUFDYRMWMFP-LSDHHAIUSA-N 1 0 316.357 3.233 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@@H](CCO)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000788594173 625221599 /nfs/dbraw/zinc/22/15/99/625221599.db2.gz ZWYYZTNNAYOUGY-JKSUJKDBSA-N 1 0 304.390 3.068 20 5 DGBDRO Cc1noc(C)c1CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788629981 625231638 /nfs/dbraw/zinc/23/16/38/625231638.db2.gz YJNZMALUVRAYPC-SNVBAGLBSA-N 1 0 318.377 3.065 20 5 DGBDRO COC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC(C)CC1 ZINC000788804515 625271965 /nfs/dbraw/zinc/27/19/65/625271965.db2.gz IMVIRYRTRYKRRI-UIORMTCPSA-N 1 0 321.421 3.423 20 5 DGBDRO Cc1cc(N2CCC(C)([NH+]3CCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000882963250 625877893 /nfs/dbraw/zinc/87/78/93/625877893.db2.gz SPJHJBBNVBCEEF-UHFFFAOYSA-N 1 0 307.369 3.107 20 5 DGBDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796575265 626063255 /nfs/dbraw/zinc/06/32/55/626063255.db2.gz LMHWOTLRWXRRMY-HOCLYGCPSA-N 1 0 306.406 3.386 20 5 DGBDRO Cc1nn(C[N@@H+]2CC(C)=C[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000797417303 626141288 /nfs/dbraw/zinc/14/12/88/626141288.db2.gz NGBMVYOFOKSSPW-LLVKDONJSA-N 1 0 300.362 3.108 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000798406547 626215949 /nfs/dbraw/zinc/21/59/49/626215949.db2.gz RHTMLSGRLJDLDS-UHFFFAOYSA-N 1 0 303.406 3.215 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798962947 626263797 /nfs/dbraw/zinc/26/37/97/626263797.db2.gz UBEZGRZDRZEWQQ-BIENSFFJSA-N 1 0 309.369 3.493 20 5 DGBDRO C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000799728047 626325068 /nfs/dbraw/zinc/32/50/68/626325068.db2.gz FAJTYLDZAYZROS-WMLDXEAASA-N 1 0 314.385 3.239 20 5 DGBDRO CC(C)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000800847087 626378945 /nfs/dbraw/zinc/37/89/45/626378945.db2.gz MEKIWDDJJGPACV-QGZVFWFLSA-N 1 0 320.437 3.345 20 5 DGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801517179 626406984 /nfs/dbraw/zinc/40/69/84/626406984.db2.gz AMIUDCFUOILNHD-LSDHHAIUSA-N 1 0 310.369 3.369 20 5 DGBDRO C[C@@H](OC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000801871490 626423340 /nfs/dbraw/zinc/42/33/40/626423340.db2.gz CJBHFKAJJFSTQU-GFCCVEGCSA-N 1 0 318.373 3.073 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)OCC[C@@H]2CCCC[N@H+]2C)c1F ZINC000803461537 626616824 /nfs/dbraw/zinc/61/68/24/626616824.db2.gz ZDTLHBGCOXSKKP-LBPRGKRZSA-N 1 0 324.352 3.074 20 5 DGBDRO Cn1cc(C[NH2+]C[C@H]2C=CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000883238431 626619433 /nfs/dbraw/zinc/61/94/33/626619433.db2.gz BTTUJDZNVNXDQC-ZDUSSCGKSA-N 1 0 312.373 3.051 20 5 DGBDRO C=C/C=C\CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000883267428 626630470 /nfs/dbraw/zinc/63/04/70/626630470.db2.gz DVKVLECQMWGABI-DSYXLKISSA-N 1 0 303.362 3.034 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000883277622 626634556 /nfs/dbraw/zinc/63/45/56/626634556.db2.gz BYAFHLKKYLILHY-WMLDXEAASA-N 1 0 318.373 3.080 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000803856212 626644389 /nfs/dbraw/zinc/64/43/89/626644389.db2.gz MXKKGWXYHISBLX-CYBMUJFWSA-N 1 0 324.352 3.042 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000883317386 626644742 /nfs/dbraw/zinc/64/47/42/626644742.db2.gz GLAOJSFCUBRXTM-XBXGTLAGSA-N 1 0 316.357 3.369 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883357841 626659395 /nfs/dbraw/zinc/65/93/95/626659395.db2.gz WDJHXIQAJPVEMI-TZMCWYRMSA-N 1 0 320.389 3.356 20 5 DGBDRO Cc1ccc(NCCC[NH+](C)C)c([N+](=O)[O-])c1Br ZINC000804317786 626668336 /nfs/dbraw/zinc/66/83/36/626668336.db2.gz PWBYAQUCTBNJOS-UHFFFAOYSA-N 1 0 316.199 3.029 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH+]1CCCCC1 ZINC000804362021 626673411 /nfs/dbraw/zinc/67/34/11/626673411.db2.gz OZABVJFYHIKVJE-CYBMUJFWSA-N 1 0 319.405 3.331 20 5 DGBDRO CC[NH+](CC)CCCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804388496 626675498 /nfs/dbraw/zinc/67/54/98/626675498.db2.gz WLLZILYFLZRMOI-UHFFFAOYSA-N 1 0 310.354 3.037 20 5 DGBDRO Cc1ccc(SCC[NH+](C)C)c([N+](=O)[O-])c1Br ZINC000804539847 626691459 /nfs/dbraw/zinc/69/14/59/626691459.db2.gz PKRYHRBDGJGRRI-UHFFFAOYSA-N 1 0 319.224 3.319 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000804557099 626692650 /nfs/dbraw/zinc/69/26/50/626692650.db2.gz LBGJPOCGGPBUFC-YPMHNXCESA-N 1 0 309.797 3.169 20 5 DGBDRO CC(C)(CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000804648623 626699737 /nfs/dbraw/zinc/69/97/37/626699737.db2.gz HFWPYMPQUSYHRW-UHFFFAOYSA-N 1 0 322.365 3.037 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000800171622 626818559 /nfs/dbraw/zinc/81/85/59/626818559.db2.gz PQHIWLDWSGOTKC-UHFFFAOYSA-N 1 0 322.405 3.148 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC000884485681 626888658 /nfs/dbraw/zinc/88/86/58/626888658.db2.gz DTLLVDPDILOTOY-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000840177360 626913584 /nfs/dbraw/zinc/91/35/84/626913584.db2.gz IQBJZTHBPGBKLK-MRXNPFEDSA-N 1 0 312.373 3.019 20 5 DGBDRO Cc1[nH]c(C2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)[nH+]c1C ZINC000884706400 626931637 /nfs/dbraw/zinc/93/16/37/626931637.db2.gz BMGMIHDOMGCZFI-UHFFFAOYSA-N 1 0 315.377 3.022 20 5 DGBDRO Cc1[nH]c(C2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884709031 626932516 /nfs/dbraw/zinc/93/25/16/626932516.db2.gz SHRLKMNUAKQNFL-UHFFFAOYSA-N 1 0 318.352 3.458 20 5 DGBDRO CCC1([NH+]2CCC2)CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000884716708 626934919 /nfs/dbraw/zinc/93/49/19/626934919.db2.gz HAZNIDUURXQGTF-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809698111 626938164 /nfs/dbraw/zinc/93/81/64/626938164.db2.gz VVMMAUMXOYYNPA-GWIBLVFBSA-N 1 0 322.792 3.103 20 5 DGBDRO [NH3+]CCN(Cc1cncc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000809728135 626942685 /nfs/dbraw/zinc/94/26/85/626942685.db2.gz LYGFFOIAUMMZNE-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767797 626949971 /nfs/dbraw/zinc/94/99/71/626949971.db2.gz UMRWEURBJLKJFY-LRDDRELGSA-N 1 0 323.824 3.164 20 5 DGBDRO CC[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC(C)(C)O ZINC000809947742 626961668 /nfs/dbraw/zinc/96/16/68/626961668.db2.gz NGYDYAJCTVUKFW-UHFFFAOYSA-N 1 0 321.204 3.494 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000810180931 626985238 /nfs/dbraw/zinc/98/52/38/626985238.db2.gz QYXRTBXDQHFMOR-LBPRGKRZSA-N 1 0 313.829 3.458 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810536607 627012924 /nfs/dbraw/zinc/01/29/24/627012924.db2.gz QVFKIAGKCLBQPO-INIZCTEOSA-N 1 0 324.352 3.021 20 5 DGBDRO COc1ccc(CCC[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885963639 627071672 /nfs/dbraw/zinc/07/16/72/627071672.db2.gz OVZWCZWPWSYLOP-UHFFFAOYSA-N 1 0 315.373 3.063 20 5 DGBDRO O=[N+]([O-])c1ncccc1CN(CCC(F)(F)F)CC1CC1 ZINC000886036634 627090155 /nfs/dbraw/zinc/09/01/55/627090155.db2.gz BCAXMRAVLUALLS-UHFFFAOYSA-N 1 0 303.284 3.154 20 5 DGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1C[C@@]12CCOC2 ZINC000886046858 627092716 /nfs/dbraw/zinc/09/27/16/627092716.db2.gz RAEBBOHEVJPEPE-SWLSCSKDSA-N 1 0 310.781 3.107 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c(F)c1 ZINC000886318183 627136224 /nfs/dbraw/zinc/13/62/24/627136224.db2.gz LUKCDMLCUSJPEB-CQSZACIVSA-N 1 0 308.353 3.173 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870067 627211742 /nfs/dbraw/zinc/21/17/42/627211742.db2.gz OTQAAIHEDHGJCH-MRXNPFEDSA-N 1 0 323.824 3.214 20 5 DGBDRO CC(C)[C@@H](CO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811506346 627283449 /nfs/dbraw/zinc/28/34/49/627283449.db2.gz RAALHCGBQVFZTI-SNVBAGLBSA-N 1 0 321.204 3.256 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811848741 627329538 /nfs/dbraw/zinc/32/95/38/627329538.db2.gz RFHSFMDOCWOCPC-LLVKDONJSA-N 1 0 310.354 3.035 20 5 DGBDRO C[C@@H]1CCC[N@@H+]1CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000840270476 627430038 /nfs/dbraw/zinc/43/00/38/627430038.db2.gz PGLRKGKFRCCERO-GFCCVEGCSA-N 1 0 300.362 3.039 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000813635852 627505183 /nfs/dbraw/zinc/50/51/83/627505183.db2.gz IRYLMBPUKDCCKF-OAHLLOKOSA-N 1 0 309.797 3.089 20 5 DGBDRO Cc1ccccc1C(C)(C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000815148867 627637557 /nfs/dbraw/zinc/63/75/57/627637557.db2.gz NYXTVQUGNPBRCM-KRWDZBQOSA-N 1 0 314.385 3.462 20 5 DGBDRO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000815579794 627686970 /nfs/dbraw/zinc/68/69/70/627686970.db2.gz VGXRCTHBNGPADW-NEPJUHHUSA-N 1 0 317.393 3.366 20 5 DGBDRO CSc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccn1 ZINC000815589869 627688291 /nfs/dbraw/zinc/68/82/91/627688291.db2.gz FXICWPINRCRZTB-SNVBAGLBSA-N 1 0 318.402 3.145 20 5 DGBDRO COc1ccc(C)cc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815590129 627688314 /nfs/dbraw/zinc/68/83/14/627688314.db2.gz MVRXFXBMMSUUHB-LBPRGKRZSA-N 1 0 315.373 3.345 20 5 DGBDRO C[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596315 627689074 /nfs/dbraw/zinc/68/90/74/627689074.db2.gz QHJMCRSUEYTXTO-LRDDRELGSA-N 1 0 321.421 3.423 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000815596157 627689252 /nfs/dbraw/zinc/68/92/52/627689252.db2.gz MDCAJIMQDXUICP-LBPRGKRZSA-N 1 0 315.373 3.345 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815614115 627690904 /nfs/dbraw/zinc/69/09/04/627690904.db2.gz GLQDGSVWQZIYKH-QMTHXVAHSA-N 1 0 307.394 3.174 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815614879 627691158 /nfs/dbraw/zinc/69/11/58/627691158.db2.gz CPAVSMXUIQVAGB-ZJUUUORDSA-N 1 0 304.325 3.123 20 5 DGBDRO C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625495 627692428 /nfs/dbraw/zinc/69/24/28/627692428.db2.gz FKSKYSZLRSINGU-MRVPVSSYSA-N 1 0 303.284 3.170 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)cc1Cl ZINC000816630694 627817508 /nfs/dbraw/zinc/81/75/08/627817508.db2.gz OHHLFRXYMLZWQA-AWEZNQCLSA-N 1 0 310.781 3.128 20 5 DGBDRO C[NH+](C)C1CCC(Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000817125708 627858468 /nfs/dbraw/zinc/85/84/68/627858468.db2.gz UYJZXTWLCZYLCJ-UHFFFAOYSA-N 1 0 320.418 3.489 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)c2cccc3c2OCO3)cccc1[N+](=O)[O-] ZINC000926267869 627872240 /nfs/dbraw/zinc/87/22/40/627872240.db2.gz BDVDHHBQMPKTDS-GFCCVEGCSA-N 1 0 314.341 3.483 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000817282440 627876689 /nfs/dbraw/zinc/87/66/89/627876689.db2.gz FDEPHYYNUFPUJC-RDJZCZTQSA-N 1 0 304.390 3.140 20 5 DGBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1(Cl)CC1 ZINC000926439070 627896317 /nfs/dbraw/zinc/89/63/17/627896317.db2.gz HOMJNYADQFDJJT-JTQLQIEISA-N 1 0 307.781 3.368 20 5 DGBDRO COc1ccnc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000926492473 627903857 /nfs/dbraw/zinc/90/38/57/627903857.db2.gz AUAAEVHYZHANIJ-NWDGAFQWSA-N 1 0 301.346 3.410 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CCCO)cc1[N+](=O)[O-] ZINC000926797528 627956656 /nfs/dbraw/zinc/95/66/56/627956656.db2.gz TYZOBDNTQPDIFL-JKSUJKDBSA-N 1 0 306.406 3.324 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926916665 627979624 /nfs/dbraw/zinc/97/96/24/627979624.db2.gz SEHKLHCJZDFRRU-JCURWCKSSA-N 1 0 320.389 3.213 20 5 DGBDRO CC(C)c1ccc(C(=O)N(C)C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000818528881 628031495 /nfs/dbraw/zinc/03/14/95/628031495.db2.gz AEILYQQSZZBJRC-UHFFFAOYSA-N 1 0 319.405 3.060 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2ccccc2Cl)cc1 ZINC000818980829 628072626 /nfs/dbraw/zinc/07/26/26/628072626.db2.gz OVXVHSCNCGGLTD-MRXNPFEDSA-N 1 0 320.776 3.114 20 5 DGBDRO Cc1cc(C)cc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819095794 628091131 /nfs/dbraw/zinc/09/11/31/628091131.db2.gz USSJAQLWFGEFJX-SFHVURJKSA-N 1 0 314.385 3.077 20 5 DGBDRO Cc1cccc([C@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819097393 628092113 /nfs/dbraw/zinc/09/21/13/628092113.db2.gz FPSSDNNKWKDAQT-RDTXWAMCSA-N 1 0 314.385 3.330 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000819102867 628092124 /nfs/dbraw/zinc/09/21/24/628092124.db2.gz BLDDIWGXHPHUCP-IXDOHACOSA-N 1 0 304.390 3.187 20 5 DGBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000819103060 628092699 /nfs/dbraw/zinc/09/26/99/628092699.db2.gz DOJDDLTWVKRJBZ-BLLLJJGKSA-N 1 0 320.414 3.158 20 5 DGBDRO Cc1cccc(C)c1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819172430 628105089 /nfs/dbraw/zinc/10/50/89/628105089.db2.gz BDTIFRKWGDRVJN-SFHVURJKSA-N 1 0 314.385 3.077 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)c1ccccc1 ZINC000819214104 628114032 /nfs/dbraw/zinc/11/40/32/628114032.db2.gz ZCWQZPIMMXWUKC-MRXNPFEDSA-N 1 0 320.776 3.114 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(C(F)F)cc2)c1 ZINC000819234881 628118220 /nfs/dbraw/zinc/11/82/20/628118220.db2.gz HXPWTASGEIODGH-OAHLLOKOSA-N 1 0 322.311 3.356 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CCC(F)(F)CC2)c1 ZINC000819290339 628127814 /nfs/dbraw/zinc/12/78/14/628127814.db2.gz ZPPICAJUEHOTPB-AWEZNQCLSA-N 1 0 314.332 3.043 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1 ZINC000819291430 628128219 /nfs/dbraw/zinc/12/82/19/628128219.db2.gz UWACZJOPGGYMNU-BXUZGUMPSA-N 1 0 314.332 3.043 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@](C)(O)c1ccccc1 ZINC000822517014 628459829 /nfs/dbraw/zinc/45/98/29/628459829.db2.gz SSNKOBQJZQDNOY-QGZVFWFLSA-N 1 0 318.348 3.073 20 5 DGBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000823590439 628577922 /nfs/dbraw/zinc/57/79/22/628577922.db2.gz DDDDJTXHNMHUHU-KRWDZBQOSA-N 1 0 318.348 3.073 20 5 DGBDRO CC[C@@H]1C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824782977 628693289 /nfs/dbraw/zinc/69/32/89/628693289.db2.gz BGTZDOHQBPXZOI-KGLIPLIRSA-N 1 0 303.406 3.199 20 5 DGBDRO Cc1cccnc1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824795261 628694701 /nfs/dbraw/zinc/69/47/01/628694701.db2.gz RMAFLXTYJCRTPZ-UHFFFAOYSA-N 1 0 305.765 3.284 20 5 DGBDRO C[C@H](O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000827857226 628997630 /nfs/dbraw/zinc/99/76/30/628997630.db2.gz ZBFJSXCADKRFIB-MEDUHNTESA-N 1 0 320.776 3.460 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000829572621 629170771 /nfs/dbraw/zinc/17/07/71/629170771.db2.gz QPRHLMLUAJIXIU-CYBMUJFWSA-N 1 0 314.389 3.062 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000830161722 629232868 /nfs/dbraw/zinc/23/28/68/629232868.db2.gz VHFUFOAAKSWQMA-MGPLVRAMSA-N 1 0 322.311 3.257 20 5 DGBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000831352991 629366426 /nfs/dbraw/zinc/36/64/26/629366426.db2.gz IPUAYTFDZRARFJ-GJZGRUSLSA-N 1 0 310.369 3.416 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@@H](C)C1 ZINC000832692709 629504803 /nfs/dbraw/zinc/50/48/03/629504803.db2.gz XUVYRFZRURJQSE-XJIUQZFPSA-N 1 0 306.406 3.433 20 5 DGBDRO COCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102419314 630104510 /nfs/dbraw/zinc/10/45/10/630104510.db2.gz HATGUNWJQNALGX-UHFFFAOYSA-N 1 0 306.387 3.449 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH2+]Cc3ccccc32)c1 ZINC000841035734 630400012 /nfs/dbraw/zinc/40/00/12/630400012.db2.gz LDANJRUNNPWMQP-UHFFFAOYSA-N 1 0 317.776 3.358 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000841091052 630406775 /nfs/dbraw/zinc/40/67/75/630406775.db2.gz SPYRMCQQYJITBV-GFCCVEGCSA-N 1 0 309.797 3.013 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841761366 630462741 /nfs/dbraw/zinc/46/27/41/630462741.db2.gz PIUITMQVABOLCA-BDJLRTHQSA-N 1 0 313.357 3.099 20 5 DGBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842165171 630501121 /nfs/dbraw/zinc/50/11/21/630501121.db2.gz AJYXRTQSSLGRTI-GRYCIOLGSA-N 1 0 323.368 3.039 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000843044806 630607437 /nfs/dbraw/zinc/60/74/37/630607437.db2.gz JXTWHELBZXRLBU-MLGOLLRUSA-N 1 0 323.824 3.212 20 5 DGBDRO C[NH2+][C@@H](CC(C)(C)C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843171003 630625477 /nfs/dbraw/zinc/62/54/77/630625477.db2.gz PATCTMVYDHTFCF-LBPRGKRZSA-N 1 0 318.377 3.265 20 5 DGBDRO Cc1ccc(-c2noc(CCCCCC[NH3+])n2)cc1[N+](=O)[O-] ZINC000843178871 630627643 /nfs/dbraw/zinc/62/76/43/630627643.db2.gz OFOFBLZMEFUXNH-UHFFFAOYSA-N 1 0 304.350 3.015 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000105442937 630712084 /nfs/dbraw/zinc/71/20/84/630712084.db2.gz BMKZRUQPZRFJHT-NSHDSACASA-N 1 0 322.796 3.179 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844441221 630730533 /nfs/dbraw/zinc/73/05/33/630730533.db2.gz ZJEDMGPPRFEHQA-AWEZNQCLSA-N 1 0 312.316 3.095 20 5 DGBDRO Cc1ccc(-c2noc([C@@H]3CC[C@H](C4CC4)[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000844912581 630978858 /nfs/dbraw/zinc/97/88/58/630978858.db2.gz OGPVNJTXZHTCGA-OLZOCXBDSA-N 1 0 314.345 3.156 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000105908904 631174954 /nfs/dbraw/zinc/17/49/54/631174954.db2.gz LPXKLQTZUFQAAA-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO CN(CC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846115724 631210538 /nfs/dbraw/zinc/21/05/38/631210538.db2.gz ZKFCHZUVJPQKMI-UHFFFAOYSA-N 1 0 311.813 3.166 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000848477169 631667216 /nfs/dbraw/zinc/66/72/16/631667216.db2.gz QGPDFEPBKOVUEC-MRXNPFEDSA-N 1 0 312.373 3.290 20 5 DGBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848531565 631680844 /nfs/dbraw/zinc/68/08/44/631680844.db2.gz SKSVBRMKHOOTIP-WMZOPIPTSA-N 1 0 312.369 3.214 20 5 DGBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848533973 631682145 /nfs/dbraw/zinc/68/21/45/631682145.db2.gz WSWWQJVPNNUZCJ-WPGHFRTFSA-N 1 0 316.357 3.277 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(Cl)n2C)cc1[N+](=O)[O-] ZINC000848540877 631684913 /nfs/dbraw/zinc/68/49/13/631684913.db2.gz SGYQBPGHKUWNRU-SNVBAGLBSA-N 1 0 308.769 3.141 20 5 DGBDRO Cc1cnc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000848561365 631693784 /nfs/dbraw/zinc/69/37/84/631693784.db2.gz XRTJMNVTEVYFAU-CYBMUJFWSA-N 1 0 314.389 3.082 20 5 DGBDRO CC1CCN(C(=[NH2+])NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000849012657 631807217 /nfs/dbraw/zinc/80/72/17/631807217.db2.gz LAJJICZEHFBGIT-UHFFFAOYSA-N 1 0 310.785 3.004 20 5 DGBDRO CCCCCCNC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000849086577 631831779 /nfs/dbraw/zinc/83/17/79/631831779.db2.gz BAYONMKOUKKQOG-UHFFFAOYSA-N 1 0 312.801 3.442 20 5 DGBDRO COc1ccc(NC(=[NH2+])NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000849093090 631833780 /nfs/dbraw/zinc/83/37/80/631833780.db2.gz QWSWACFFUHJRES-UHFFFAOYSA-N 1 0 314.345 3.048 20 5 DGBDRO C[C@@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000849731321 631953045 /nfs/dbraw/zinc/95/30/45/631953045.db2.gz AXNPSFSNKNSZHV-UTUOFQBUSA-N 1 0 324.352 3.038 20 5 DGBDRO COC[C@@H](CC1CCOCC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850471371 632162978 /nfs/dbraw/zinc/16/29/78/632162978.db2.gz POGSORWKTFAHSL-XJKSGUPXSA-N 1 0 322.405 3.077 20 5 DGBDRO C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850535276 632184670 /nfs/dbraw/zinc/18/46/70/632184670.db2.gz WDADCHUAGMMGEO-HONMWMINSA-N 1 0 312.316 3.060 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1SCCS1)C1CC1 ZINC000850559783 632194009 /nfs/dbraw/zinc/19/40/09/632194009.db2.gz GKWIIIIKSKCWDM-ZDUSSCGKSA-N 1 0 324.471 3.312 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(CCCC2)C1 ZINC000173822348 659402626 /nfs/dbraw/zinc/40/26/26/659402626.db2.gz HODUBKVKGYZWID-ZDUSSCGKSA-N 1 0 317.389 3.188 20 5 DGBDRO CCc1cccc2c(C3CC[NH+](CC[N+](=O)[O-])CC3)c[nH]c21 ZINC000929322906 660558216 /nfs/dbraw/zinc/55/82/16/660558216.db2.gz MNLPCYRMSWZIQS-UHFFFAOYSA-N 1 0 301.390 3.186 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccnc1F ZINC000793289067 661021674 /nfs/dbraw/zinc/02/16/74/661021674.db2.gz KABDNNQCGAIPBM-XYOKQWHBSA-N 1 0 301.321 3.322 20 5 DGBDRO Cc1nn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794686747 661098519 /nfs/dbraw/zinc/09/85/19/661098519.db2.gz QKPHGVDCFPZSQF-GFCCVEGCSA-N 1 0 317.393 3.116 20 5 DGBDRO CC(C)([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000795222137 661134267 /nfs/dbraw/zinc/13/42/67/661134267.db2.gz QDBDQVZEGCRVJF-MRXNPFEDSA-N 1 0 318.348 3.292 20 5 DGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000795678534 661167086 /nfs/dbraw/zinc/16/70/86/661167086.db2.gz FMOHHMGYVFMMDC-XHSDSOJGSA-N 1 0 312.373 3.017 20 5 DGBDRO Cn1cc(C[N@@H+]2C[C@@H](c3ccccc3)CC2(C)C)c([N+](=O)[O-])n1 ZINC000932898752 655642672 /nfs/dbraw/zinc/64/26/72/655642672.db2.gz OONAZSQCAOWDFB-AWEZNQCLSA-N 1 0 314.389 3.096 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000933873026 655736968 /nfs/dbraw/zinc/73/69/68/655736968.db2.gz ZXORCORLDHBIIH-INIZCTEOSA-N 1 0 320.389 3.185 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000084439716 655753008 /nfs/dbraw/zinc/75/30/08/655753008.db2.gz SKZZUIUXIIRZEK-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(Cl)cc1 ZINC000046599841 655833262 /nfs/dbraw/zinc/83/32/62/655833262.db2.gz VJWCMFKPQZGKIF-MRXNPFEDSA-N 1 0 320.776 3.414 20 5 DGBDRO CC[NH+](CC)CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000065944914 655920476 /nfs/dbraw/zinc/92/04/76/655920476.db2.gz LCELHMGYQUXIBO-UHFFFAOYSA-N 1 0 310.354 3.037 20 5 DGBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)ccc1Cl ZINC000177947119 655950806 /nfs/dbraw/zinc/95/08/06/655950806.db2.gz XTBIRGMESBLMSZ-CQSZACIVSA-N 1 0 323.824 3.308 20 5 DGBDRO CC(=O)Oc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180459341 655965923 /nfs/dbraw/zinc/96/59/23/655965923.db2.gz DCJCWBRVTPLEFX-GFCCVEGCSA-N 1 0 314.341 3.371 20 5 DGBDRO CC[NH+](CC)CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000311003968 655968732 /nfs/dbraw/zinc/96/87/32/655968732.db2.gz YJCJVFDWIHLJOC-UHFFFAOYSA-N 1 0 316.199 3.111 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000715919444 661215960 /nfs/dbraw/zinc/21/59/60/661215960.db2.gz TYWFROZZLIUVMC-GXTWGEPZSA-N 1 0 322.405 3.343 20 5 DGBDRO C[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CC1(C)OCCO1 ZINC000715968847 661216649 /nfs/dbraw/zinc/21/66/49/661216649.db2.gz WHULIWCNEUMYLN-CHWSQXEVSA-N 1 0 308.378 3.035 20 5 DGBDRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563124 661265742 /nfs/dbraw/zinc/26/57/42/661265742.db2.gz KJMQQLJQQFDEHE-GFCCVEGCSA-N 1 0 308.407 3.057 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931918547 656812268 /nfs/dbraw/zinc/81/22/68/656812268.db2.gz VLSGFWXJGVBQFE-GFCCVEGCSA-N 1 0 318.270 3.461 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1OCC1CC[NH2+]CC1 ZINC000095027676 657426898 /nfs/dbraw/zinc/42/68/98/657426898.db2.gz RHHMBHJVYKLYAM-UHFFFAOYSA-N 1 0 305.161 3.280 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1O ZINC000897684593 658484195 /nfs/dbraw/zinc/48/41/95/658484195.db2.gz SDHZUFZIHIAGMS-NHYWBVRUSA-N 1 0 318.398 3.136 20 5 DGBDRO Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000059854143 659155589 /nfs/dbraw/zinc/15/55/89/659155589.db2.gz NFQNZEFNRWIFNQ-UHFFFAOYSA-N 1 0 311.385 3.225 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000174848104 659873096 /nfs/dbraw/zinc/87/30/96/659873096.db2.gz HVCWOEZAWKHRFJ-HNNXBMFYSA-N 1 0 323.824 3.308 20 5 DGBDRO CCOc1ccc([C@H]([NH2+]CC[N+](=O)[O-])C(C)C)cc1OCC ZINC000930186776 661375363 /nfs/dbraw/zinc/37/53/63/661375363.db2.gz FISADSVNEMAPPS-MRXNPFEDSA-N 1 0 310.394 3.047 20 5 DGBDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1[N+](=O)[O-] ZINC000931617030 661493253 /nfs/dbraw/zinc/49/32/53/661493253.db2.gz IMMDDGPZWJGAAE-GIPNMCIBSA-N 1 0 318.295 3.355 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCc3cccc4cccc2c43)n1 ZINC000931810872 661511832 /nfs/dbraw/zinc/51/18/32/661511832.db2.gz QDXYYJXPEDHSTG-MRXNPFEDSA-N 1 0 322.368 3.222 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932140074 661541610 /nfs/dbraw/zinc/54/16/10/661541610.db2.gz VABMSCUUHFIUEI-UKRRQHHQSA-N 1 0 314.389 3.269 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000932181483 661545382 /nfs/dbraw/zinc/54/53/82/661545382.db2.gz VHFUFOAAKSWQMA-HWPZZCPQSA-N 1 0 322.311 3.257 20 5 DGBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000932563481 661580197 /nfs/dbraw/zinc/58/01/97/661580197.db2.gz FMHBRWQHPRHCNS-SJCJKPOMSA-N 1 0 318.348 3.427 20 5 DGBDRO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932899731 661607109 /nfs/dbraw/zinc/60/71/09/661607109.db2.gz NBBQLSFMTASCMO-HNNXBMFYSA-N 1 0 314.389 3.059 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933076155 661616272 /nfs/dbraw/zinc/61/62/72/661616272.db2.gz FQLYFOGWJQDGNR-CQSZACIVSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933378084 661631396 /nfs/dbraw/zinc/63/13/96/661631396.db2.gz JQPMNHFWJCSZKI-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO COc1ccc(C[N@@H+]2CCCSC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000933916995 661666275 /nfs/dbraw/zinc/66/62/75/661666275.db2.gz XURPCSUMMYXUCU-HNNXBMFYSA-N 1 0 322.430 3.321 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000934333582 661698205 /nfs/dbraw/zinc/69/82/05/661698205.db2.gz KVMZAMISLBNJGH-CYBMUJFWSA-N 1 0 303.387 3.116 20 5 DGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCOC23CCCC3)c(F)c1 ZINC000934387500 661703777 /nfs/dbraw/zinc/70/37/77/661703777.db2.gz CDFVSTNQLSLKSR-CQSZACIVSA-N 1 0 312.316 3.064 20 5 DGBDRO C[C@H](NCc1ccccc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC000934552202 661714363 /nfs/dbraw/zinc/71/43/63/661714363.db2.gz LQJYJAGLPPGXTA-ZDUSSCGKSA-N 1 0 314.389 3.442 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(C3CCCCC3)CC2)c1 ZINC000934788922 661734787 /nfs/dbraw/zinc/73/47/87/661734787.db2.gz WHDPSLXQOHHOAP-INIZCTEOSA-N 1 0 304.390 3.331 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934840905 661740279 /nfs/dbraw/zinc/74/02/79/661740279.db2.gz GKCDHDNRCXKIHR-KBPBESRZSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(O)CCCCCC2)c1 ZINC000079619181 662115827 /nfs/dbraw/zinc/11/58/27/662115827.db2.gz UPWUUHPMNQKZIT-UHFFFAOYSA-N 1 0 312.797 3.423 20 5 DGBDRO C[C@H]1CCCC[C@@]1(C[NH3+])NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576689977 1191863054 /nfs/dbraw/zinc/86/30/54/1191863054.db2.gz GGWOYFXZUHSXQY-NHYWBVRUSA-N 1 0 311.813 3.245 20 5 DGBDRO COc1cc(N[C@@H](C)CCCC[NH3+])c(Cl)cc1[N+](=O)[O-] ZINC001579166184 1191968551 /nfs/dbraw/zinc/96/85/51/1191968551.db2.gz BQKDOQJFZMVFNV-VIFPVBQESA-N 1 0 301.774 3.186 20 5 DGBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3CCC[NH2+]CC3)sc2c1 ZINC001580876058 1192043373 /nfs/dbraw/zinc/04/33/73/1192043373.db2.gz YWZVOIJSVIXVAO-JTQLQIEISA-N 1 0 306.391 3.006 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC001580874672 1192043388 /nfs/dbraw/zinc/04/33/88/1192043388.db2.gz HRGHPJLFTNZPSG-DTORHVGOSA-N 1 0 316.188 3.232 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@@H]1CCC[NH2+]C1 ZINC001580874622 1192043544 /nfs/dbraw/zinc/04/35/44/1192043544.db2.gz GMOUZAJGXMOTIP-SECBINFHSA-N 1 0 303.284 3.025 20 5 DGBDRO C[NH+](C)C(C)(C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001620694970 1192068171 /nfs/dbraw/zinc/06/81/71/1192068171.db2.gz HGDKGCFLHRWHAQ-UHFFFAOYSA-N 1 0 317.389 3.285 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000351937468 1178053454 /nfs/dbraw/zinc/05/34/54/1178053454.db2.gz ODAJLYIJNNKNTN-RHSMWYFYSA-N 1 0 306.406 3.305 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331100012 1178135662 /nfs/dbraw/zinc/13/56/62/1178135662.db2.gz NQKOYXAXZIHSDB-CYBMUJFWSA-N 1 0 314.389 3.285 20 5 DGBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)nn1 ZINC001332712449 1178480596 /nfs/dbraw/zinc/48/05/96/1178480596.db2.gz RIPDZRGFSYMADA-LBPRGKRZSA-N 1 0 300.362 3.161 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001343057868 1179229756 /nfs/dbraw/zinc/22/97/56/1179229756.db2.gz JVRZAHRINPUYFM-NSHDSACASA-N 1 0 306.362 3.074 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CN([C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001344558803 1179450198 /nfs/dbraw/zinc/45/01/98/1179450198.db2.gz VJWNVKRTDYPYOQ-IBGZPJMESA-N 1 0 323.396 3.185 20 5 DGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001351129877 1180176544 /nfs/dbraw/zinc/17/65/44/1180176544.db2.gz WQTVMBOUWRFTHO-CYBMUJFWSA-N 1 0 321.421 3.062 20 5 DGBDRO CC[C@](O)(C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC001351177252 1180182694 /nfs/dbraw/zinc/18/26/94/1180182694.db2.gz OSOXOFVZKYNYLC-GWCFXTLKSA-N 1 0 320.311 3.257 20 5 DGBDRO CCCn1cncc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001200845298 1180963730 /nfs/dbraw/zinc/96/37/30/1180963730.db2.gz UHRKHXRKSUFBSF-UHFFFAOYSA-N 1 0 316.405 3.314 20 5 DGBDRO Cc1cc(NCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])s1 ZINC001458100183 1182496470 /nfs/dbraw/zinc/49/64/70/1182496470.db2.gz SJOWDDIMYRFSSM-UHFFFAOYSA-N 1 0 317.414 3.435 20 5 DGBDRO C[NH+]1CCC(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001458144813 1182500339 /nfs/dbraw/zinc/50/03/39/1182500339.db2.gz HGIAEOQFZSBWFT-UHFFFAOYSA-N 1 0 317.311 3.367 20 5 DGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001458484444 1182530745 /nfs/dbraw/zinc/53/07/45/1182530745.db2.gz JACQVCIVGAXGNW-GFCCVEGCSA-N 1 0 322.365 3.035 20 5 DGBDRO Cc1ccc(C[N@@H+](CCO)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001459784355 1182614726 /nfs/dbraw/zinc/61/47/26/1182614726.db2.gz IYSGMGXUCGHYDW-OAHLLOKOSA-N 1 0 314.385 3.459 20 5 DGBDRO C[C@H](NCc1csc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459936320 1182631043 /nfs/dbraw/zinc/63/10/43/1182631043.db2.gz NTCWWPLCORAMMX-JSGCOSHPSA-N 1 0 323.462 3.399 20 5 DGBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C ZINC001459987463 1182637503 /nfs/dbraw/zinc/63/75/03/1182637503.db2.gz PLKPVBSULIPFRH-VXGBXAGGSA-N 1 0 323.368 3.183 20 5 DGBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2CCCCCC2)CC1 ZINC001460204297 1182662679 /nfs/dbraw/zinc/66/26/79/1182662679.db2.gz SQGIKUFLLMHEBY-UHFFFAOYSA-N 1 0 318.421 3.082 20 5 DGBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001461249279 1182786053 /nfs/dbraw/zinc/78/60/53/1182786053.db2.gz QRGPVUGGVKBRKB-INIZCTEOSA-N 1 0 318.373 3.351 20 5 DGBDRO Cc1ccc(CCN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1C ZINC001462191165 1182922567 /nfs/dbraw/zinc/92/25/67/1182922567.db2.gz PFPBCNCUZCWZSY-UHFFFAOYSA-N 1 0 313.401 3.219 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCCC2(C)C)c1[N+](=O)[O-] ZINC001462269963 1182931355 /nfs/dbraw/zinc/93/13/55/1182931355.db2.gz LOLZEQCXBXBJQD-GFCCVEGCSA-N 1 0 308.378 3.225 20 5 DGBDRO CCOc1ccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001462633512 1182977471 /nfs/dbraw/zinc/97/74/71/1182977471.db2.gz HPUHPRHNACFXMJ-UHFFFAOYSA-N 1 0 314.385 3.368 20 5 DGBDRO CCC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001472777960 1183680142 /nfs/dbraw/zinc/68/01/42/1183680142.db2.gz ROHZQXLBXFTESF-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DGBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC12CCCCC2 ZINC001472787467 1183681618 /nfs/dbraw/zinc/68/16/18/1183681618.db2.gz MHGOMQTUOOEJHI-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+]2C2CCCCCC2)s1 ZINC001472858096 1183691470 /nfs/dbraw/zinc/69/14/70/1183691470.db2.gz VGEVBHZLLRRZEV-GFCCVEGCSA-N 1 0 310.423 3.260 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001472905770 1183698691 /nfs/dbraw/zinc/69/86/91/1183698691.db2.gz KEVAHEFVHGTQGW-CQSZACIVSA-N 1 0 317.776 3.399 20 5 DGBDRO CCC1(CC)[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1OC ZINC001473446101 1183758580 /nfs/dbraw/zinc/75/85/80/1183758580.db2.gz AEWUAQYZMGFBQP-HOTGVXAUSA-N 1 0 322.405 3.287 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001473594530 1183777942 /nfs/dbraw/zinc/77/79/42/1183777942.db2.gz MTERBDDYWKRQEC-UHFFFAOYSA-N 1 0 305.422 3.209 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2COc3ccccc3C2)cccc1[N+](=O)[O-] ZINC001473916613 1183827156 /nfs/dbraw/zinc/82/71/56/1183827156.db2.gz DKDYZOKPVLTUMY-AWEZNQCLSA-N 1 0 312.369 3.244 20 5 DGBDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001474236883 1183886194 /nfs/dbraw/zinc/88/61/94/1183886194.db2.gz QLCDKZHXRXIBHM-AWEZNQCLSA-N 1 0 318.373 3.496 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2oc(=O)oc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001474265746 1183891750 /nfs/dbraw/zinc/89/17/50/1183891750.db2.gz FQKHCSWGEYAFGN-JTQLQIEISA-N 1 0 314.297 3.145 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001477213215 1184073428 /nfs/dbraw/zinc/07/34/28/1184073428.db2.gz YYFMFSRYPFSBOY-CYBMUJFWSA-N 1 0 322.409 3.145 20 5 DGBDRO Cc1csc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001655996885 1195986085 /nfs/dbraw/zinc/98/60/85/1195986085.db2.gz KOIUJVIWJVNJMY-UHFFFAOYSA-N 1 0 311.794 3.345 20 5 DGBDRO C[C@@H](CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[NH+](C)C ZINC001612594456 1193457141 /nfs/dbraw/zinc/45/71/41/1193457141.db2.gz DCKQXORYHPXCFK-VIFPVBQESA-N 1 0 305.300 3.366 20 5 DGBDRO C[N@@H+]1CCC[C@@H]1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001612621399 1193458060 /nfs/dbraw/zinc/45/80/60/1193458060.db2.gz XBPXSMORBFIWRL-MRVPVSSYSA-N 1 0 304.177 3.408 20 5 DGBDRO CC[N@H+](C)[C@H]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001613088029 1193467674 /nfs/dbraw/zinc/46/76/74/1193467674.db2.gz MSYFOWGSUBPQKC-JTQLQIEISA-N 1 0 317.311 3.144 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001524179221 1187220854 /nfs/dbraw/zinc/22/08/54/1187220854.db2.gz RPIAXJDYJDNDKM-LBPRGKRZSA-N 1 0 311.769 3.060 20 5 DGBDRO C[C@H]([NH2+]C[Si](C)(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001616700316 1193545602 /nfs/dbraw/zinc/54/56/02/1193545602.db2.gz UDXJJZWQMKKVDU-AWEZNQCLSA-N 1 0 314.461 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCOC(F)(F)F)C2CC2)cc1 ZINC001616891902 1193549885 /nfs/dbraw/zinc/54/98/85/1193549885.db2.gz KNZJATBXHFMSTO-UHFFFAOYSA-N 1 0 318.295 3.486 20 5 DGBDRO CC(C)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCCC1 ZINC001559062469 1189167083 /nfs/dbraw/zinc/16/70/83/1189167083.db2.gz YRXBRAMLZWTUDH-HNNXBMFYSA-N 1 0 317.393 3.003 20 5 DGBDRO C[C@H](C[NH+]1CCCCC1)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001559066268 1189167703 /nfs/dbraw/zinc/16/77/03/1189167703.db2.gz QDFWWAXPVVDKDC-CYBMUJFWSA-N 1 0 318.421 3.155 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001559242772 1189185134 /nfs/dbraw/zinc/18/51/34/1189185134.db2.gz WONDHDUXAFZHFY-UHFFFAOYSA-N 1 0 324.425 3.309 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCCC[C@H]1CC(C)C ZINC001559551719 1189215830 /nfs/dbraw/zinc/21/58/30/1189215830.db2.gz LYITXCVQRQKBQC-HNNXBMFYSA-N 1 0 308.426 3.390 20 5 DGBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001559752078 1189238257 /nfs/dbraw/zinc/23/82/57/1189238257.db2.gz RNLOOUVIZJKRBW-CZUORRHYSA-N 1 0 319.405 3.434 20 5 DGBDRO CC[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H]1C ZINC001559768090 1189240878 /nfs/dbraw/zinc/24/08/78/1189240878.db2.gz CMZOMNMGHMMXEQ-OLZOCXBDSA-N 1 0 308.378 3.103 20 5 DGBDRO CCOC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1)C(C)C ZINC001559823577 1189246805 /nfs/dbraw/zinc/24/68/05/1189246805.db2.gz QNBDLIWEGURIHG-AWEZNQCLSA-N 1 0 310.394 3.144 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001559839278 1189247612 /nfs/dbraw/zinc/24/76/12/1189247612.db2.gz WZFALIOCUITWIK-GFCCVEGCSA-N 1 0 311.813 3.164 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC001559848882 1189249923 /nfs/dbraw/zinc/24/99/23/1189249923.db2.gz FVXOGNZEBIOICP-UHFFFAOYSA-N 1 0 303.406 3.045 20 5 DGBDRO CCOC[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559900306 1189254594 /nfs/dbraw/zinc/25/45/94/1189254594.db2.gz JHVFTFZYABGIPE-MRXNPFEDSA-N 1 0 322.405 3.255 20 5 DGBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001559965253 1189263756 /nfs/dbraw/zinc/26/37/56/1189263756.db2.gz XNUXENSUXNWBLE-CZUORRHYSA-N 1 0 324.421 3.269 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001560224223 1189293315 /nfs/dbraw/zinc/29/33/15/1189293315.db2.gz ROGKARMLDIMFAF-CVEARBPZSA-N 1 0 308.353 3.267 20 5 DGBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@]12CCC[C@H]1OCC2 ZINC001560235168 1189295992 /nfs/dbraw/zinc/29/59/92/1189295992.db2.gz BILQCWQLSFFJQR-HZPDHXFCSA-N 1 0 308.353 3.125 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](C)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001560265848 1189302092 /nfs/dbraw/zinc/30/20/92/1189302092.db2.gz HGLDHIOUURDTNX-UONOGXRCSA-N 1 0 305.422 3.113 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2nccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC001560274342 1189303526 /nfs/dbraw/zinc/30/35/26/1189303526.db2.gz IERITWSDOMNYFL-LBPRGKRZSA-N 1 0 308.341 3.389 20 5 DGBDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001560357364 1189317542 /nfs/dbraw/zinc/31/75/42/1189317542.db2.gz LGIDJCGLTVFKFT-GFCCVEGCSA-N 1 0 301.346 3.163 20 5 DGBDRO CCOC(=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC001560607192 1189347613 /nfs/dbraw/zinc/34/76/13/1189347613.db2.gz UXAAFDHOSWNXJW-UHFFFAOYSA-N 1 0 320.389 3.116 20 5 DGBDRO CC1(C)[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCC[NH2+][C@H]21 ZINC001576390438 1191580239 /nfs/dbraw/zinc/58/02/39/1191580239.db2.gz OAXKBMNNEVYHMA-BPLDGKMQSA-N 1 0 323.824 3.114 20 5 DGBDRO CC1(C)[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]2CCC[NH2+][C@H]21 ZINC001576389075 1191581587 /nfs/dbraw/zinc/58/15/87/1191581587.db2.gz FNISXLKIISNXND-NILFDRSVSA-N 1 0 323.824 3.114 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CC3(O)CCCCC3)C2)cc1 ZINC001618027355 1193721329 /nfs/dbraw/zinc/72/13/29/1193721329.db2.gz LVHHNIMEGLMZFF-INIZCTEOSA-N 1 0 318.417 3.469 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](Cc1ccoc1)C1CC1 ZINC001620617132 1193783973 /nfs/dbraw/zinc/78/39/73/1193783973.db2.gz VYAKKAJHJCTCJJ-UHFFFAOYSA-N 1 0 302.330 3.231 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCCCCC1 ZINC001620717467 1193794875 /nfs/dbraw/zinc/79/48/75/1193794875.db2.gz HLFSJLOYSKOJGI-UHFFFAOYSA-N 1 0 305.422 3.177 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)o1 ZINC001621110090 1193803599 /nfs/dbraw/zinc/80/35/99/1193803599.db2.gz DCZUMFYXBRKJIC-FABXCBLPSA-N 1 0 314.341 3.264 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc4[nH]ccc4c3)nc2c1 ZINC001621288411 1193827667 /nfs/dbraw/zinc/82/76/67/1193827667.db2.gz HNPHGWCWHZCZTR-UHFFFAOYSA-N 1 0 321.340 3.242 20 5 DGBDRO CC(C)C(C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)C(C)C ZINC001621478882 1193848178 /nfs/dbraw/zinc/84/81/78/1193848178.db2.gz MXGOHRZAAFTNFP-QGZVFWFLSA-N 1 0 308.422 3.320 20 5 DGBDRO Cc1ccc(NC[C@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC001639143498 1194752734 /nfs/dbraw/zinc/75/27/34/1194752734.db2.gz KHMUYKVKQPMZPR-INIZCTEOSA-N 1 0 313.401 3.488 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC001639887278 1194786075 /nfs/dbraw/zinc/78/60/75/1194786075.db2.gz SUOPLRDQGLSAJJ-UHFFFAOYSA-N 1 0 317.389 3.455 20 5 DGBDRO CCCN(CC[NH+]1CCCCCC1)c1cc(C)c([N+](=O)[O-])cn1 ZINC001639994352 1194790517 /nfs/dbraw/zinc/79/05/17/1194790517.db2.gz SXQCDUOKPNAEHO-UHFFFAOYSA-N 1 0 320.437 3.391 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC001640258718 1194804435 /nfs/dbraw/zinc/80/44/35/1194804435.db2.gz UJSYTRKXEODHIQ-UHFFFAOYSA-N 1 0 303.406 3.215 20 5 DGBDRO Cn1cc(C[N@H+](Cc2ccccc2)CC(C)(C)C)c([N+](=O)[O-])n1 ZINC001641734536 1194868956 /nfs/dbraw/zinc/86/89/56/1194868956.db2.gz MBZXXHZORJDKLO-UHFFFAOYSA-N 1 0 316.405 3.377 20 5 DGBDRO CC1CC[NH+](CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC001642066961 1194886684 /nfs/dbraw/zinc/88/66/84/1194886684.db2.gz ZLJAAOOWLKHGCU-UHFFFAOYSA-N 1 0 318.421 3.012 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001642066513 1194886855 /nfs/dbraw/zinc/88/68/55/1194886855.db2.gz QNRQFJNTDNFDIP-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[NH2+]C1(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CCC1 ZINC001642702861 1194930807 /nfs/dbraw/zinc/93/08/07/1194930807.db2.gz VBVFHFYFGVNYRM-UHFFFAOYSA-N 1 0 304.177 3.456 20 5 DGBDRO CC(C)(C[NH+]1CCCC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001642810099 1194942132 /nfs/dbraw/zinc/94/21/32/1194942132.db2.gz VYGWOCLIYFVZGX-UHFFFAOYSA-N 1 0 320.418 3.491 20 5 DGBDRO CCC[N@H+](CC(C)C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001644456281 1195109458 /nfs/dbraw/zinc/10/94/58/1195109458.db2.gz GXRNAYDMUZBESL-ZDUSSCGKSA-N 1 0 307.394 3.290 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC2(CCCCC2)C1 ZINC001644556214 1195117053 /nfs/dbraw/zinc/11/70/53/1195117053.db2.gz ROZUQWCEYWTATQ-UHFFFAOYSA-N 1 0 306.410 3.146 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@]1(C)C1CCCCC1 ZINC001648139947 1195278506 /nfs/dbraw/zinc/27/85/06/1195278506.db2.gz UNIZMSVHSFBZGS-MRXNPFEDSA-N 1 0 306.410 3.144 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCOCC23CCCC3)cc1[N+](=O)[O-] ZINC001648637830 1195316935 /nfs/dbraw/zinc/31/69/35/1195316935.db2.gz GIDLNEBCRCCFBN-MRXNPFEDSA-N 1 0 320.389 3.042 20 5 DGBDRO CCOc1cc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001651174924 1195422986 /nfs/dbraw/zinc/42/29/86/1195422986.db2.gz WJYJKRATXBFWKO-GJZGRUSLSA-N 1 0 307.394 3.134 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC[NH+]1CCCCCC1 ZINC001651365375 1195450439 /nfs/dbraw/zinc/45/04/39/1195450439.db2.gz KMSQFJYTHKTVCW-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccccc1[N+](=O)[O-] ZINC001651509753 1195473059 /nfs/dbraw/zinc/47/30/59/1195473059.db2.gz PRDRWYYKKYJHLL-WMLDXEAASA-N 1 0 303.406 3.294 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc2oc(=O)oc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001651551888 1195479236 /nfs/dbraw/zinc/47/92/36/1195479236.db2.gz FQKHCSWGEYAFGN-SNVBAGLBSA-N 1 0 314.297 3.145 20 5 DGBDRO Cc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC001651993357 1195533821 /nfs/dbraw/zinc/53/38/21/1195533821.db2.gz QCAAPMTWSCSFQC-HIFRSBDPSA-N 1 0 307.369 3.471 20 5 DGBDRO CSC(C)(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001652066998 1195543942 /nfs/dbraw/zinc/54/39/42/1195543942.db2.gz QNRXKMSXNMAJSV-UHFFFAOYSA-N 1 0 323.462 3.249 20 5 DGBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001652436756 1195596502 /nfs/dbraw/zinc/59/65/02/1195596502.db2.gz MIAKVOFPWSCFGJ-TXEJJXNPSA-N 1 0 318.295 3.223 20 5 DGBDRO CCC[C@H](CCO)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001652963046 1195676000 /nfs/dbraw/zinc/67/60/00/1195676000.db2.gz FPMIEUWKULOKPP-OIISXLGYSA-N 1 0 320.433 3.447 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCCCC2(C)C)c1 ZINC001653366905 1195714897 /nfs/dbraw/zinc/71/48/97/1195714897.db2.gz MIGHJQBHKADRTA-OAHLLOKOSA-N 1 0 320.389 3.440 20 5 DGBDRO CCOC(=O)[C@H](CC)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001653648696 1195740811 /nfs/dbraw/zinc/74/08/11/1195740811.db2.gz HLYICPUXGKSWFA-HOCLYGCPSA-N 1 0 320.389 3.116 20 5 DGBDRO C[C@@H]1CCC[C@H](C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC001654504342 1195811134 /nfs/dbraw/zinc/81/11/34/1195811134.db2.gz XLFCGLBXVQPCBY-JKIFEVAISA-N 1 0 306.406 3.218 20 5 DGBDRO Cc1ccc2c(c1)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC001654997086 1195862445 /nfs/dbraw/zinc/86/24/45/1195862445.db2.gz OELNKNMHTAHPOO-UHFFFAOYSA-N 1 0 312.369 3.340 20 5 DGBDRO CCN(CCC[NH+](CC)CC)c1c(Cl)cncc1[N+](=O)[O-] ZINC001655382446 1195910243 /nfs/dbraw/zinc/91/02/43/1195910243.db2.gz FBHRMVVFBOLVIB-UHFFFAOYSA-N 1 0 314.817 3.201 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001655725302 1195956143 /nfs/dbraw/zinc/95/61/43/1195956143.db2.gz UHSMEJLIWVAGLS-WBVHZDCISA-N 1 0 306.406 3.444 20 5 DGBDRO CC[N@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@@H]1C ZINC001655801400 1195964496 /nfs/dbraw/zinc/96/44/96/1195964496.db2.gz CKCJDYLNBSZPEJ-BETUJISGSA-N 1 0 314.389 3.062 20 5 DGBDRO CC1(C)CC[N@H+](CCNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001655940294 1195980613 /nfs/dbraw/zinc/98/06/13/1195980613.db2.gz NSKKDHQDPWVMSV-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1 ZINC001655942871 1195981178 /nfs/dbraw/zinc/98/11/78/1195981178.db2.gz RCSUVSIDTHYZGC-IRXDYDNUSA-N 1 0 303.406 3.294 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CN1CCC[C@H](C)C1 ZINC001656947320 1196085743 /nfs/dbraw/zinc/08/57/43/1196085743.db2.gz UCSIVRNSMNXZLU-DZGCQCFKSA-N 1 0 319.449 3.422 20 5 DGBDRO C[C@@H](F)CC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001657452642 1196143676 /nfs/dbraw/zinc/14/36/76/1196143676.db2.gz UDUYVMLMLLUZFP-MRVPVSSYSA-N 1 0 305.147 3.195 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccncc1C ZINC001657587872 1196157771 /nfs/dbraw/zinc/15/77/71/1196157771.db2.gz FSNJSIQBRDJNPZ-UHFFFAOYSA-N 1 0 315.373 3.029 20 5 DGBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1O ZINC001657879551 1196190070 /nfs/dbraw/zinc/19/00/70/1196190070.db2.gz MJMNJVVDWBXGPF-UPJWGTAASA-N 1 0 322.405 3.471 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC001657913074 1196192617 /nfs/dbraw/zinc/19/26/17/1196192617.db2.gz DTCJQMPCZSCOBE-MRXNPFEDSA-N 1 0 317.433 3.318 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CN1CCC(C)CC1 ZINC001658281542 1196235416 /nfs/dbraw/zinc/23/54/16/1196235416.db2.gz PAQXUIPEZCMOEV-OAHLLOKOSA-N 1 0 319.449 3.422 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC001658292704 1196237434 /nfs/dbraw/zinc/23/74/34/1196237434.db2.gz RHBBIAQGDGGXTR-HUUCEWRRSA-N 1 0 308.426 3.294 20 5 DGBDRO CO[C@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC001658375396 1196249061 /nfs/dbraw/zinc/24/90/61/1196249061.db2.gz ULDFWQZTMWLPDU-ZDUSSCGKSA-N 1 0 300.786 3.399 20 5 DGBDRO COc1ccc(OCC[N@H+](C)[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001658515763 1196268201 /nfs/dbraw/zinc/26/82/01/1196268201.db2.gz MYFJBGISVVPYHE-ZDUSSCGKSA-N 1 0 322.405 3.493 20 5 DGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001658584851 1196276865 /nfs/dbraw/zinc/27/68/65/1196276865.db2.gz LHBJUMYSKUOZNE-GJZGRUSLSA-N 1 0 310.419 3.237 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC001658596820 1196277793 /nfs/dbraw/zinc/27/77/93/1196277793.db2.gz OVLLKXXAKWTTAP-JTQLQIEISA-N 1 0 312.329 3.028 20 5 DGBDRO C[C@@H](C[NH2+]Cc1cnc2ccccc2n1)c1ccccc1[N+](=O)[O-] ZINC001658990390 1196329331 /nfs/dbraw/zinc/32/93/31/1196329331.db2.gz PICFNXLDAKHRMD-ZDUSSCGKSA-N 1 0 322.368 3.431 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1(C)C ZINC001659761585 1196412529 /nfs/dbraw/zinc/41/25/29/1196412529.db2.gz QNDDLDDWGPKHBK-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)C1CCCC1 ZINC001660083170 1196443429 /nfs/dbraw/zinc/44/34/29/1196443429.db2.gz TYUUVLQTCPTECH-WMLDXEAASA-N 1 0 320.433 3.447 20 5 DGBDRO Cc1c[nH]c(=O)c(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC001660150738 1196452036 /nfs/dbraw/zinc/45/20/36/1196452036.db2.gz NUUQECXEGDDEHW-ZDUSSCGKSA-N 1 0 315.373 3.115 20 5 DGBDRO COc1c(O)ccc(C[NH2+]CC2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC001660238841 1196461068 /nfs/dbraw/zinc/46/10/68/1196461068.db2.gz FSENHADKAAUUQM-RYUDHWBXSA-N 1 0 322.405 3.471 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)C1(C)CC1 ZINC001660484998 1196489545 /nfs/dbraw/zinc/48/95/45/1196489545.db2.gz XDWSDEFHDAUVOE-LBPRGKRZSA-N 1 0 305.378 3.010 20 5 DGBDRO CC(C)(C)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001660683006 1196511802 /nfs/dbraw/zinc/51/18/02/1196511802.db2.gz OCFQOKSZTGXLED-MRXNPFEDSA-N 1 0 322.405 3.111 20 5 DGBDRO CC(C)(C)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC001660682731 1196512260 /nfs/dbraw/zinc/51/22/60/1196512260.db2.gz HZYAELMLNCLGEI-INIZCTEOSA-N 1 0 322.405 3.111 20 5 DGBDRO COc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001661305850 1196592476 /nfs/dbraw/zinc/59/24/76/1196592476.db2.gz HVYNOUIBIJCBFK-UHFFFAOYSA-N 1 0 316.357 3.080 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1COc2ccccc2C1 ZINC001661378795 1196599389 /nfs/dbraw/zinc/59/93/89/1196599389.db2.gz KIHSNGSZBYBIIY-OAHLLOKOSA-N 1 0 312.369 3.305 20 5 DGBDRO CC[C@@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC001663624382 1196916289 /nfs/dbraw/zinc/91/62/89/1196916289.db2.gz UFKVQNHOGBSOCN-GFCCVEGCSA-N 1 0 308.378 3.321 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CCC(F)(F)F ZINC001664002174 1196963996 /nfs/dbraw/zinc/96/39/96/1196963996.db2.gz IUVHXLOCCGOPEY-SECBINFHSA-N 1 0 306.284 3.424 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CCC(F)(F)F ZINC001664002175 1196964414 /nfs/dbraw/zinc/96/44/14/1196964414.db2.gz IUVHXLOCCGOPEY-VIFPVBQESA-N 1 0 306.284 3.424 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CC1([NH+](C)C)CCC1 ZINC001664374044 1196992627 /nfs/dbraw/zinc/99/26/27/1196992627.db2.gz HEJJPBKMTPFZLI-UHFFFAOYSA-N 1 0 305.422 3.128 20 5 DGBDRO CC[C@@H](C)CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001665199502 1197107900 /nfs/dbraw/zinc/10/79/00/1197107900.db2.gz QZZLHHNFZSOKDR-CHWSQXEVSA-N 1 0 307.394 3.338 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000235265213 1202604229 /nfs/dbraw/zinc/60/42/29/1202604229.db2.gz JCIFVHVJOWMNAV-RDDDGLTNSA-N 1 0 305.161 3.278 20 5 DGBDRO CC[C@H]([NH2+]CCc1nc(C(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000180712901 1204333517 /nfs/dbraw/zinc/33/35/17/1204333517.db2.gz LTNOUNOZZZWLQL-AWEZNQCLSA-N 1 0 318.377 3.385 20 5 DGBDRO [NH3+]Cc1ccc2c(n1)N(c1cc3cc[nH]c3c([N+](=O)[O-])c1)CCC2 ZINC001169592500 1081600911 /nfs/dbraw/zinc/60/09/11/1081600911.db2.gz WGHZTNCSNIRRJY-UHFFFAOYSA-N 1 0 323.356 3.014 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001169710940 1081636372 /nfs/dbraw/zinc/63/63/72/1081636372.db2.gz BJLABADCPRGHTA-UHFFFAOYSA-N 1 0 308.426 3.430 20 5 DGBDRO Cc1cc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001648794279 1081772344 /nfs/dbraw/zinc/77/23/44/1081772344.db2.gz GHLQRSFBUFXBIK-FRRDWIJNSA-N 1 0 305.378 3.103 20 5 DGBDRO CC[C@H](OC(=O)CC[NH2+]C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001266835740 1082252789 /nfs/dbraw/zinc/25/27/89/1082252789.db2.gz OVCAMTLSLAKYIX-AWEZNQCLSA-N 1 0 308.378 3.367 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170294614 1082337295 /nfs/dbraw/zinc/33/72/95/1082337295.db2.gz BZYQVQJSFITYEN-CQSZACIVSA-N 1 0 314.385 3.367 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccsc2)c([N+](=O)[O-])c1 ZINC001170300088 1082338517 /nfs/dbraw/zinc/33/85/17/1082338517.db2.gz WUHURSWQUFZLTF-LLVKDONJSA-N 1 0 306.387 3.386 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCSCC2)c([N+](=O)[O-])c1 ZINC001170310498 1082343871 /nfs/dbraw/zinc/34/38/71/1082343871.db2.gz XCWQUHRVUBIKHF-LLVKDONJSA-N 1 0 310.419 3.020 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]C2CC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC001170322904 1082346572 /nfs/dbraw/zinc/34/65/72/1082346572.db2.gz IJPYXHRXFSEYNS-GFCCVEGCSA-N 1 0 304.390 3.457 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CCSCC2)c([N+](=O)[O-])c1 ZINC001170325787 1082346662 /nfs/dbraw/zinc/34/66/62/1082346662.db2.gz ADGAICZMCBQDCV-GFCCVEGCSA-N 1 0 324.446 3.267 20 5 DGBDRO COc1ccc(C[C@H](C)[N@H+](C)C2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170327237 1082346686 /nfs/dbraw/zinc/34/66/86/1082346686.db2.gz GHYKGDKUVOLRAT-JTQLQIEISA-N 1 0 314.332 3.264 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]C2(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170328042 1082347382 /nfs/dbraw/zinc/34/73/82/1082347382.db2.gz UCVWBQDIBYSTBC-LBPRGKRZSA-N 1 0 304.390 3.457 20 5 DGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170328383 1082347687 /nfs/dbraw/zinc/34/76/87/1082347687.db2.gz KGZYQAZUCAFMTD-JSGCOSHPSA-N 1 0 310.369 3.358 20 5 DGBDRO COC[C@@H]1CCCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170335159 1082348951 /nfs/dbraw/zinc/34/89/51/1082348951.db2.gz LVZJQXAMAKRBRU-HIFRSBDPSA-N 1 0 322.405 3.035 20 5 DGBDRO CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC001170345444 1082356600 /nfs/dbraw/zinc/35/66/00/1082356600.db2.gz KQXZSLOZKKKVJS-ZDUSSCGKSA-N 1 0 322.405 3.035 20 5 DGBDRO [NH3+]CCc1ccn(-c2nc3c(ccc4ccccc43)nc2Cl)n1 ZINC001167729879 1083301107 /nfs/dbraw/zinc/30/11/07/1083301107.db2.gz TZKVVDPDYWBTPO-UHFFFAOYSA-N 1 0 323.787 3.123 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC001181234722 1083437623 /nfs/dbraw/zinc/43/76/23/1083437623.db2.gz OZRHOUBHKSCCGM-XQQFMLRXSA-N 1 0 322.405 3.471 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001184427789 1084182618 /nfs/dbraw/zinc/18/26/18/1084182618.db2.gz BJGCGCMUNGRGLU-DMDPSCGWSA-N 1 0 316.279 3.023 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ccc(Br)cc2n1 ZINC001228070802 1086798624 /nfs/dbraw/zinc/79/86/24/1086798624.db2.gz LSNCKMLGFFAEJK-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO CCOC(=O)CCCCCCCCO[C@@H](C)C[N+](C)(C)C ZINC001224910072 1087539163 /nfs/dbraw/zinc/53/91/63/1087539163.db2.gz WLAXZUAKQQUQRT-INIZCTEOSA-N 1 0 302.479 3.392 20 5 DGBDRO Cc1cc(Cl)nc(N2CC[N@@H+](C)CC23CCCC3)c1[N+](=O)[O-] ZINC001158409238 1087820421 /nfs/dbraw/zinc/82/04/21/1087820421.db2.gz YDZFPDFVEZTHNP-UHFFFAOYSA-N 1 0 324.812 3.016 20 5 DGBDRO Clc1ccc2ccc3ccc(N4CC[N@@H+]5CC[C@@H]5C4)nc3c2n1 ZINC001158432300 1087832724 /nfs/dbraw/zinc/83/27/24/1087832724.db2.gz JANBMGKBFGFUSO-CQSZACIVSA-N 1 0 324.815 3.331 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001159391998 1088332272 /nfs/dbraw/zinc/33/22/72/1088332272.db2.gz VEYKDMJXVWTJPT-UHFFFAOYSA-N 1 0 306.410 3.362 20 5 DGBDRO Nc1cc2nc3ccccc3nc2cc1NC1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001159523465 1088379503 /nfs/dbraw/zinc/37/95/03/1088379503.db2.gz NDKLSTSYDXIFBN-NEPJUHHUSA-N 1 0 317.396 3.185 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC001159922622 1088553082 /nfs/dbraw/zinc/55/30/82/1088553082.db2.gz LOJAHJBHYSTQPO-MRXNPFEDSA-N 1 0 313.357 3.388 20 5 DGBDRO [NH3+][C@@H]1CCCN(c2ccc(Nc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001159982034 1088586640 /nfs/dbraw/zinc/58/66/40/1088586640.db2.gz PCSSPZGLFGBZIA-CYBMUJFWSA-N 1 0 312.373 3.266 20 5 DGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nccc(C)c3[N+](=O)[O-])c2c1 ZINC001160012184 1088600350 /nfs/dbraw/zinc/60/03/50/1088600350.db2.gz QXHWVZPCJBMGPV-CYBMUJFWSA-N 1 0 324.384 3.440 20 5 DGBDRO O=[N+]([O-])c1c(Cl)ccc2nc(NC[C@@H]3CCCC[NH2+]3)ccc21 ZINC001160146485 1088668382 /nfs/dbraw/zinc/66/83/82/1088668382.db2.gz AGAWXCADWLFSNC-JTQLQIEISA-N 1 0 320.780 3.350 20 5 DGBDRO O=[N+]([O-])c1ccccc1Nc1cccc(O[C@@H]2CCC[NH2+]C2)c1 ZINC001160217865 1088704438 /nfs/dbraw/zinc/70/44/38/1088704438.db2.gz CDQYANQKAXWWRX-OAHLLOKOSA-N 1 0 313.357 3.469 20 5 DGBDRO [NH3+]Cc1cn(-c2ccc3ccc4ccc(Cl)nc4c3n2)cn1 ZINC001154908657 1088818395 /nfs/dbraw/zinc/81/83/95/1088818395.db2.gz CMFSIUXAZNMDOY-UHFFFAOYSA-N 1 0 309.760 3.081 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(NCc2ccccc2C[NH3+])nc1Cl ZINC001160906199 1089010990 /nfs/dbraw/zinc/01/09/90/1089010990.db2.gz NXQIXXWNSNECLB-UHFFFAOYSA-N 1 0 306.753 3.022 20 5 DGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001155300095 1089056939 /nfs/dbraw/zinc/05/69/39/1089056939.db2.gz SVWHMAXOJYMHTL-ZDUSSCGKSA-N 1 0 320.352 3.165 20 5 DGBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ncc(F)cc2[N+](=O)[O-])c1 ZINC001155337406 1089071537 /nfs/dbraw/zinc/07/15/37/1089071537.db2.gz AOZMXCUQHYXAEE-SECBINFHSA-N 1 0 300.293 3.093 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CC(C)(C)C)CC1 ZINC001161206856 1089153596 /nfs/dbraw/zinc/15/35/96/1089153596.db2.gz XMVCTRUSZKAFML-UHFFFAOYSA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1ccnc(NC2CC[NH+](CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001161207451 1089155522 /nfs/dbraw/zinc/15/55/22/1089155522.db2.gz QCUOWBCGTGYFGW-UHFFFAOYSA-N 1 0 306.410 3.221 20 5 DGBDRO O=[N+]([O-])c1cc(F)cnc1NCC1CC[NH+](CC2CCC2)CC1 ZINC001161233545 1089163239 /nfs/dbraw/zinc/16/32/39/1089163239.db2.gz VAWIUXNEEWRHGA-UHFFFAOYSA-N 1 0 322.384 3.053 20 5 DGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H]2C[NH2+]Cc3ccsc32)n1 ZINC001155562450 1089167103 /nfs/dbraw/zinc/16/71/03/1089167103.db2.gz UQVJHUKFJCHFJP-SNVBAGLBSA-N 1 0 324.793 3.270 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001156377529 1089494243 /nfs/dbraw/zinc/49/42/43/1089494243.db2.gz AFIIJEGFLCPQSQ-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001156496179 1089549939 /nfs/dbraw/zinc/54/99/39/1089549939.db2.gz XQUKCQLRHDKBMU-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO C[C@@]1([NH3+])C[C@H](Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001162328100 1089672839 /nfs/dbraw/zinc/67/28/39/1089672839.db2.gz IGAOHGALJMEJJS-XZWHAEGMSA-N 1 0 306.753 3.088 20 5 DGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ncc(Cl)cc1[N+](=O)[O-] ZINC001156770173 1089686039 /nfs/dbraw/zinc/68/60/39/1089686039.db2.gz FKUJGORLCGPELG-UHFFFAOYSA-N 1 0 312.801 3.128 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001162402538 1089717168 /nfs/dbraw/zinc/71/71/68/1089717168.db2.gz TVDLFXWPBVYFRF-DTWKUNHWSA-N 1 0 319.283 3.175 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162404203 1089719869 /nfs/dbraw/zinc/71/98/69/1089719869.db2.gz IZDITEJLZNJQGN-CHWSQXEVSA-N 1 0 307.394 3.372 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC001162457771 1089741370 /nfs/dbraw/zinc/74/13/70/1089741370.db2.gz RFHREBRMFVHESU-CHWSQXEVSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001162467950 1089748678 /nfs/dbraw/zinc/74/86/78/1089748678.db2.gz TYNYUHHFSGHMOL-CHWSQXEVSA-N 1 0 314.389 3.191 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@]2(F)CCCC[NH2+]C2)c2ccncc21 ZINC001162583229 1089807517 /nfs/dbraw/zinc/80/75/17/1089807517.db2.gz LICXFYNHDMCTDB-INIZCTEOSA-N 1 0 318.352 3.037 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001162583878 1089807691 /nfs/dbraw/zinc/80/76/91/1089807691.db2.gz VCCQVZRZROTCEP-CYBMUJFWSA-N 1 0 301.749 3.142 20 5 DGBDRO O=[N+]([O-])c1ccc(-n2ccc3c2CC[NH2+]C3)nc1-c1ccccc1 ZINC001157453834 1089972561 /nfs/dbraw/zinc/97/25/61/1089972561.db2.gz KQRRAZYVADUQRF-UHFFFAOYSA-N 1 0 320.352 3.093 20 5 DGBDRO Cc1cc(Cl)nc(N2CCCC[C@]23CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001157471944 1089986712 /nfs/dbraw/zinc/98/67/12/1089986712.db2.gz QAEAURSFJPADSM-OAHLLOKOSA-N 1 0 324.812 3.064 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001162850282 1089992535 /nfs/dbraw/zinc/99/25/35/1089992535.db2.gz RLEAMVHBTMIWDM-CYBMUJFWSA-N 1 0 308.341 3.098 20 5 DGBDRO CC(C)[NH+]1CC(Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001157530489 1090011690 /nfs/dbraw/zinc/01/16/90/1090011690.db2.gz DNNXQZHZXYCOMN-UHFFFAOYSA-N 1 0 320.780 3.301 20 5 DGBDRO CCCC(C[NH3+])(CCC)Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001163035493 1090058897 /nfs/dbraw/zinc/05/88/97/1090058897.db2.gz MDIGNDBANJJBJP-UHFFFAOYSA-N 1 0 300.790 3.353 20 5 DGBDRO c1ccc2c(c1)nc(NC[C@@H]1CO[C@@H]3C[NH2+]C[C@H]13)c1ccccc21 ZINC001163111005 1090081463 /nfs/dbraw/zinc/08/14/63/1090081463.db2.gz JVASUKPAAMHSLN-OMWUSAIZSA-N 1 0 319.408 3.034 20 5 DGBDRO CC(C)N(c1ncc([N+](=O)[O-])c2ccccc21)C(C)(C)C[NH3+] ZINC001163186547 1090105923 /nfs/dbraw/zinc/10/59/23/1090105923.db2.gz FXUIHZQJEIVEHV-UHFFFAOYSA-N 1 0 302.378 3.095 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001157797757 1090114004 /nfs/dbraw/zinc/11/40/04/1090114004.db2.gz XXISOTRWSAJLQS-KBPBESRZSA-N 1 0 314.389 3.428 20 5 DGBDRO COc1cc([N+](=O)[O-])c(N[C@@H]2C[NH2+]Cc3ccsc32)cc1F ZINC001163227676 1090125245 /nfs/dbraw/zinc/12/52/45/1090125245.db2.gz BNXPYUGGYCCCMJ-LLVKDONJSA-N 1 0 323.349 3.060 20 5 DGBDRO [NH3+]C1(CNc2nc3ccccc3c(Cl)c2[N+](=O)[O-])CCC1 ZINC001163321668 1090150045 /nfs/dbraw/zinc/15/00/45/1090150045.db2.gz XJKNSEPUMZMERF-UHFFFAOYSA-N 1 0 306.753 3.090 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc(Cl)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC001163362762 1090163535 /nfs/dbraw/zinc/16/35/35/1090163535.db2.gz NYJWHHWYYIGDTF-GHMZBOCLSA-N 1 0 312.801 3.174 20 5 DGBDRO CCOc1cc(N[C@H]2C[C@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC001163722266 1090242472 /nfs/dbraw/zinc/24/24/72/1090242472.db2.gz VYIVRHFPGOYQBA-HOTGVXAUSA-N 1 0 319.405 3.278 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001163942422 1090293032 /nfs/dbraw/zinc/29/30/32/1090293032.db2.gz XJZFADNVAVGOLS-AWEZNQCLSA-N 1 0 304.394 3.199 20 5 DGBDRO Cc1c(F)cnc(NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC001163992662 1090309891 /nfs/dbraw/zinc/30/98/91/1090309891.db2.gz IEYXCKDVYCFPQP-UHFFFAOYSA-N 1 0 318.352 3.111 20 5 DGBDRO C[NH+](C)Cc1cccc(CNc2c(Cl)nccc2[N+](=O)[O-])c1 ZINC001163993710 1090311071 /nfs/dbraw/zinc/31/10/71/1090311071.db2.gz UJLLDBPWUIRWFW-UHFFFAOYSA-N 1 0 320.780 3.317 20 5 DGBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2ccc3ccc4cccnc4c3n2)C1 ZINC001164067996 1090333048 /nfs/dbraw/zinc/33/30/48/1090333048.db2.gz DVMGPYQTGRQTKL-CJNGLKHVSA-N 1 0 306.413 3.347 20 5 DGBDRO Cc1cc(N2CCN(c3cc[nH+]cc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001164177215 1090364885 /nfs/dbraw/zinc/36/48/85/1090364885.db2.gz PDTVQYMMFQYAGG-CQSZACIVSA-N 1 0 312.373 3.013 20 5 DGBDRO CC(C)[N@@H+]1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)C[C@H]1C ZINC001165199394 1090477083 /nfs/dbraw/zinc/47/70/83/1090477083.db2.gz STXANUIEXLHYMP-CYBMUJFWSA-N 1 0 314.389 3.062 20 5 DGBDRO CCCC(C)(C)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001165582401 1090531785 /nfs/dbraw/zinc/53/17/85/1090531785.db2.gz WUHYZTRUJXZOSI-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2cnc(Cl)cc2[N+](=O)[O-])CC1 ZINC001166603680 1090627425 /nfs/dbraw/zinc/62/74/25/1090627425.db2.gz ODTHDKPCSNBCPZ-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1NCCOc1cccnc1 ZINC001168618352 1090631912 /nfs/dbraw/zinc/63/19/12/1090631912.db2.gz VLCVZWKSYIWYEU-UHFFFAOYSA-N 1 0 300.426 3.169 20 5 DGBDRO Cc1cccc(NCC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC001203782216 1090803197 /nfs/dbraw/zinc/80/31/97/1090803197.db2.gz GIYJJOIODFHFAQ-UHFFFAOYSA-N 1 0 314.389 3.117 20 5 DGBDRO C[NH+]1CCN(c2ccccc2Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001204455944 1090973922 /nfs/dbraw/zinc/97/39/22/1090973922.db2.gz HBTXNGQBZDURAY-UHFFFAOYSA-N 1 0 312.373 3.090 20 5 DGBDRO CC1=CCC[C@H](C)[C@@H]1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001205668060 1091303517 /nfs/dbraw/zinc/30/35/17/1091303517.db2.gz TZMYMMXUJBMMTG-WMLDXEAASA-N 1 0 303.406 3.352 20 5 DGBDRO Cc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001205667541 1091305165 /nfs/dbraw/zinc/30/51/65/1091305165.db2.gz NFHRZONGVGMPDA-UHFFFAOYSA-N 1 0 303.337 3.008 20 5 DGBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001205841403 1091375799 /nfs/dbraw/zinc/37/57/99/1091375799.db2.gz JRLCEZJUONOGIX-KDOFPFPSSA-N 1 0 320.440 3.342 20 5 DGBDRO C[NH+](C)CCn1cc(-c2ncnc3cc4ccccc4cc32)cn1 ZINC001206332671 1091583916 /nfs/dbraw/zinc/58/39/16/1091583916.db2.gz OPGLDGKIZXZKNG-UHFFFAOYSA-N 1 0 317.396 3.208 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001207862353 1092122974 /nfs/dbraw/zinc/12/29/74/1092122974.db2.gz WIDUYNMHEGTJNX-YXROGFHTSA-N 1 0 316.401 3.216 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(N3CCCCC3)c2)C1 ZINC001168965997 1092468335 /nfs/dbraw/zinc/46/83/35/1092468335.db2.gz FOHPXWABVQPDRO-DLBZAZTESA-N 1 0 317.433 3.212 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC001168967565 1092470942 /nfs/dbraw/zinc/47/09/42/1092470942.db2.gz QWRAAFPNGKRDRP-BXKDBHETSA-N 1 0 320.286 3.380 20 5 DGBDRO CC(C)(C)Oc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168992334 1092474914 /nfs/dbraw/zinc/47/49/14/1092474914.db2.gz JLFWKUSGIFGOKE-CABCVRRESA-N 1 0 306.406 3.399 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)C1 ZINC001168995607 1092476921 /nfs/dbraw/zinc/47/69/21/1092476921.db2.gz SBOBMDUHOLELOV-ZBFHGGJFSA-N 1 0 306.381 3.326 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3F)CC2)C1 ZINC001168998351 1092478527 /nfs/dbraw/zinc/47/85/27/1092478527.db2.gz LPAJTOYXTIPNMC-DZGCQCFKSA-N 1 0 306.381 3.183 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC001168997885 1092478584 /nfs/dbraw/zinc/47/85/84/1092478584.db2.gz GDVZAYNDUDJPEM-SMDDNHRTSA-N 1 0 319.336 3.016 20 5 DGBDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1cccc(F)c1 ZINC001168997886 1092479154 /nfs/dbraw/zinc/47/91/54/1092479154.db2.gz GEVSRIJYYZOGET-GDBMZVCRSA-N 1 0 308.397 3.429 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C1 ZINC001168996937 1092479588 /nfs/dbraw/zinc/47/95/88/1092479588.db2.gz WXCFSHDHICEOAZ-GOEBONIOSA-N 1 0 306.381 3.183 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)C1 ZINC001168997702 1092479592 /nfs/dbraw/zinc/47/95/92/1092479592.db2.gz DXBZLZPIHWMXSW-ZBFHGGJFSA-N 1 0 306.381 3.183 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC001168986562 1092490147 /nfs/dbraw/zinc/49/01/47/1092490147.db2.gz XKHNTTQPSGLWOE-KPFVRQRISA-N 1 0 308.344 3.390 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC001168986564 1092490286 /nfs/dbraw/zinc/49/02/86/1092490286.db2.gz XKHNTTQPSGLWOE-MVKMKZAISA-N 1 0 308.344 3.390 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2C(F)(F)F)C1 ZINC001168989902 1092492463 /nfs/dbraw/zinc/49/24/63/1092492463.db2.gz XQYHSMTYVXBYQM-DGCLKSJQSA-N 1 0 316.323 3.283 20 5 DGBDRO [NH3+]Cc1ccc(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C(F)(F)F ZINC001168986916 1092492707 /nfs/dbraw/zinc/49/27/07/1092492707.db2.gz GDJUKUZXDYHOGC-GXSJLCMTSA-N 1 0 317.311 3.021 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)C1 ZINC001169027894 1092493829 /nfs/dbraw/zinc/49/38/29/1092493829.db2.gz RMZOOGJVWFYKIW-RCCFBDPRSA-N 1 0 302.418 3.387 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CC(OCC4CC4)C3)CC2)C1 ZINC001169030378 1092494337 /nfs/dbraw/zinc/49/43/37/1092494337.db2.gz ZCSKQMPSEFQCMV-JKSUJKDBSA-N 1 0 322.449 3.103 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](Sc3ccncc3)C2)C1 ZINC001169033314 1092496238 /nfs/dbraw/zinc/49/62/38/1092496238.db2.gz BWSCCILUALCDEZ-IJEWVQPXSA-N 1 0 321.446 3.084 20 5 DGBDRO Cc1cccc(OC2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169037062 1092498957 /nfs/dbraw/zinc/49/89/57/1092498957.db2.gz INRLAFRDMUESJR-CVEARBPZSA-N 1 0 318.417 3.284 20 5 DGBDRO COc1cccc(CCC[N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169038809 1092500741 /nfs/dbraw/zinc/50/07/41/1092500741.db2.gz KNTPWFNOUGMTDC-JKSUJKDBSA-N 1 0 306.406 3.005 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2c3ccc(F)cc3c3c2CC[NH2+]C3)C1 ZINC001169039538 1092501440 /nfs/dbraw/zinc/50/14/40/1092501440.db2.gz QXHFIMGLJOPQMR-YPMHNXCESA-N 1 0 317.364 3.044 20 5 DGBDRO COc1ccc(C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169026598 1092506707 /nfs/dbraw/zinc/50/67/07/1092506707.db2.gz NCJRFQQBZOXJFX-YOEHRIQHSA-N 1 0 318.417 3.320 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)C1 ZINC001169046325 1092507721 /nfs/dbraw/zinc/50/77/21/1092507721.db2.gz KNEZAFKHAPIUAI-XPKDYRNWSA-N 1 0 324.421 3.438 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)C1 ZINC001169046323 1092508254 /nfs/dbraw/zinc/50/82/54/1092508254.db2.gz KNEZAFKHAPIUAI-INWMFGNUSA-N 1 0 324.421 3.438 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1NCc1ncccc1OC ZINC001169209735 1092591783 /nfs/dbraw/zinc/59/17/83/1092591783.db2.gz BCASPUIFUQSSKL-UHFFFAOYSA-N 1 0 300.426 3.299 20 5 DGBDRO C[NH+](C)CCOc1ccc(Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC001211192567 1093410967 /nfs/dbraw/zinc/41/09/67/1093410967.db2.gz CHXXTJMJCCRIAV-UHFFFAOYSA-N 1 0 319.336 3.418 20 5 DGBDRO O=C(CC[NH2+][C@@H]1CC12CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC001120589207 1094464220 /nfs/dbraw/zinc/46/42/20/1094464220.db2.gz NEBQODRXZBIGIB-OAHLLOKOSA-N 1 0 317.389 3.236 20 5 DGBDRO Cc1cc(O[C@@H]2CCC[NH2+]C[C@@H]2F)c([N+](=O)[O-])cc1Cl ZINC001217948238 1094526090 /nfs/dbraw/zinc/52/60/90/1094526090.db2.gz LTYDBCGJISCXJJ-CMPLNLGQSA-N 1 0 302.733 3.026 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217952232 1094527554 /nfs/dbraw/zinc/52/75/54/1094527554.db2.gz VNWSDZCIINOOKO-KOLCDFICSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@H]2F)c(Cl)c1Cl ZINC001217979828 1094540324 /nfs/dbraw/zinc/54/03/24/1094540324.db2.gz IHHJIRUEHVPJTG-GMSGAONNSA-N 1 0 323.151 3.371 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001217994298 1094549261 /nfs/dbraw/zinc/54/92/61/1094549261.db2.gz ZAKSINWEAMVRCH-NOZJJQNGSA-N 1 0 318.295 3.381 20 5 DGBDRO Oc1cccc2cc3cccc(O)c3c(O[C@@H]3C[NH2+]C[C@@H]3F)c12 ZINC001218001535 1094551718 /nfs/dbraw/zinc/55/17/18/1094551718.db2.gz XQRHXXIGVKUDOP-SWLSCSKDSA-N 1 0 313.328 3.093 20 5 DGBDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@@H]2F)c([N+](=O)[O-])cc1Cl ZINC001218017072 1094561801 /nfs/dbraw/zinc/56/18/01/1094561801.db2.gz HLKSUZCPAWOVNF-CMPLNLGQSA-N 1 0 302.733 3.026 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001218027958 1094567108 /nfs/dbraw/zinc/56/71/08/1094567108.db2.gz RMZOWIMDGASDPP-PRHODGIISA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001218028001 1094567611 /nfs/dbraw/zinc/56/76/11/1094567611.db2.gz SCQPCIDBDZWCAJ-PELKAZGASA-N 1 0 302.733 3.154 20 5 DGBDRO C[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)CC[NH2+]1 ZINC001218063381 1094581778 /nfs/dbraw/zinc/58/17/78/1094581778.db2.gz YVVVYALNRTVFEW-HTQZYQBOSA-N 1 0 305.161 3.421 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2CC[NH2+]C[C@H]2F)cc1 ZINC001218074468 1094588900 /nfs/dbraw/zinc/58/89/00/1094588900.db2.gz ZYYVHUFGHSENFM-WBVHZDCISA-N 1 0 316.332 3.341 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218087875 1094593464 /nfs/dbraw/zinc/59/34/64/1094593464.db2.gz BMZKWRIQNTZFNQ-DOMZBBRYSA-N 1 0 310.781 3.468 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218090270 1094595360 /nfs/dbraw/zinc/59/53/60/1094595360.db2.gz MLGCZIWENQWRNP-UONOGXRCSA-N 1 0 314.744 3.298 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3C[C@H]4C[C@@H]3C[NH2+]4)cc2)cc1 ZINC001218112776 1094610344 /nfs/dbraw/zinc/61/03/44/1094610344.db2.gz UEOOWQACICVBNA-IIDMSEBBSA-N 1 0 310.353 3.391 20 5 DGBDRO O=c1oc2cc(O[C@@H]3CC[C@]34CC[NH2+]C4)ccc2c2ccccc21 ZINC001218113498 1094610491 /nfs/dbraw/zinc/61/04/91/1094610491.db2.gz AIQVYQRGHAZTPH-UYAOXDASSA-N 1 0 321.376 3.467 20 5 DGBDRO CC(C)(C)c1ccc(O[C@@H]2CC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218115010 1094613407 /nfs/dbraw/zinc/61/34/07/1094613407.db2.gz MJAAFCSUJRFFSZ-NVXWUHKLSA-N 1 0 304.390 3.413 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[C@]23CC[NH2+]C3)cc(C(F)(F)F)c1 ZINC001218116340 1094615276 /nfs/dbraw/zinc/61/52/76/1094615276.db2.gz JJCIGSMNXRDFKQ-QWHCGFSZSA-N 1 0 316.279 3.135 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@]23CC[NH2+]C3)ccc1C(F)(F)F ZINC001218119842 1094618436 /nfs/dbraw/zinc/61/84/36/1094618436.db2.gz YWTLFVZVMVGWPD-CHWSQXEVSA-N 1 0 316.279 3.135 20 5 DGBDRO c1ccc2nc3cc(O[C@H]4C[C@H]5C[NH2+]C[C@H]5C4)ccc3nc2c1 ZINC001218135344 1094625790 /nfs/dbraw/zinc/62/57/90/1094625790.db2.gz UYANKHDCKLMUFW-AGGWBTHJSA-N 1 0 305.381 3.160 20 5 DGBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@H]1C[NH2+][C@@H]2CCCO[C@@H]21 ZINC001218166869 1094640045 /nfs/dbraw/zinc/64/00/45/1094640045.db2.gz LZMDYZIYNQZMGM-QYZOEREBSA-N 1 0 320.392 3.286 20 5 DGBDRO C[NH2+][C@H]1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC001218188129 1094650083 /nfs/dbraw/zinc/65/00/83/1094650083.db2.gz QIDNQRSCNSTGQK-HOMQSWHASA-N 1 0 307.375 3.114 20 5 DGBDRO CC(C)(C)c1ccc(O[C@H]2CCC3(C[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001218234875 1094669985 /nfs/dbraw/zinc/66/99/85/1094669985.db2.gz MFWVSIQZDYXYCS-ZDUSSCGKSA-N 1 0 304.390 3.413 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1CCC12C[NH2+]C2 ZINC001218240640 1094675222 /nfs/dbraw/zinc/67/52/22/1094675222.db2.gz OKGXWUYBKVHCPC-QGZVFWFLSA-N 1 0 310.353 3.393 20 5 DGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001218313347 1094709519 /nfs/dbraw/zinc/70/95/19/1094709519.db2.gz AKFDGRIUYGILAS-GFCCVEGCSA-N 1 0 318.295 3.381 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3C[NH2+]CC[C@H]3F)cc2)c1 ZINC001218322702 1094715079 /nfs/dbraw/zinc/71/50/79/1094715079.db2.gz TVIARRBXCKBRCI-SJORKVTESA-N 1 0 316.332 3.341 20 5 DGBDRO C[C@@H]1CC[C@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218395567 1094748625 /nfs/dbraw/zinc/74/86/25/1094748625.db2.gz WVHCCXXDCIXVJK-SCZZXKLOSA-N 1 0 304.268 3.133 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC23CC3)ccc1C(F)(F)F ZINC001218398508 1094750059 /nfs/dbraw/zinc/75/00/59/1094750059.db2.gz FQNURZOMFQGHKL-GFCCVEGCSA-N 1 0 316.279 3.135 20 5 DGBDRO C[C@@H]1CC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC001218400047 1094751672 /nfs/dbraw/zinc/75/16/72/1094751672.db2.gz SSYQVBDLVUFLLF-HTQZYQBOSA-N 1 0 305.161 3.421 20 5 DGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218404046 1094754592 /nfs/dbraw/zinc/75/45/92/1094754592.db2.gz INRHWZCTWIYWQD-LLVKDONJSA-N 1 0 316.279 3.135 20 5 DGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001218420708 1094766168 /nfs/dbraw/zinc/76/61/68/1094766168.db2.gz UKRFZIWFXYAWEV-RDDDGLTNSA-N 1 0 305.161 3.278 20 5 DGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218449391 1094782548 /nfs/dbraw/zinc/78/25/48/1094782548.db2.gz VGUZHUSFHHGFEG-CYBMUJFWSA-N 1 0 308.284 3.124 20 5 DGBDRO CC1(C)C[C@@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218476956 1094799476 /nfs/dbraw/zinc/79/94/76/1094799476.db2.gz VBQPIWYQQMFFFK-QMMMGPOBSA-N 1 0 302.733 3.297 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC001218487986 1094815911 /nfs/dbraw/zinc/81/59/11/1094815911.db2.gz XDWWEMBBMQUKCJ-OAHLLOKOSA-N 1 0 304.733 3.472 20 5 DGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001337066211 1094840467 /nfs/dbraw/zinc/84/04/67/1094840467.db2.gz FUWDCYIONANMSX-MEDUHNTESA-N 1 0 312.373 3.038 20 5 DGBDRO C[NH+]1CCC(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC001222509998 1095645087 /nfs/dbraw/zinc/64/50/87/1095645087.db2.gz WRSYJSVLPKQZNJ-CYBMUJFWSA-N 1 0 318.295 3.309 20 5 DGBDRO c1ccc2c(c1)cc1ccccc1c2CN1CCO[C@@H]2C[NH2+]C[C@H]21 ZINC001222635420 1095704556 /nfs/dbraw/zinc/70/45/56/1095704556.db2.gz WVUPIYBQCVITGC-NHCUHLMSSA-N 1 0 318.420 3.166 20 5 DGBDRO CCOC(=O)[C@@H](O[C@@H](C)C[N+](C)(C)C)c1cccc(Cl)c1 ZINC001222883540 1095779265 /nfs/dbraw/zinc/77/92/65/1095779265.db2.gz KNCWPWTZNAQQLH-WFASDCNBSA-N 1 0 314.833 3.056 20 5 DGBDRO CCOc1cc(N[C@@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001339948454 1095790426 /nfs/dbraw/zinc/79/04/26/1095790426.db2.gz XGHLLHXYTKUKBC-ZIAGYGMSSA-N 1 0 307.394 3.278 20 5 DGBDRO C[NH2+][C@@H](C)CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001118122364 1095937720 /nfs/dbraw/zinc/93/77/20/1095937720.db2.gz VCBCZOPBEQGEHT-KBXCAEBGSA-N 1 0 313.401 3.272 20 5 DGBDRO CC(C)(C)[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001118305493 1095978958 /nfs/dbraw/zinc/97/89/58/1095978958.db2.gz SHOJBBHLDQPCAR-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001118325038 1095983414 /nfs/dbraw/zinc/98/34/14/1095983414.db2.gz BTYGDOIXXBWLEL-ZMSDIMECSA-N 1 0 303.406 3.045 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(OCc2ccccc2)cn1 ZINC001224068244 1096128980 /nfs/dbraw/zinc/12/89/80/1096128980.db2.gz XZUMYFNESIHEBK-INIZCTEOSA-N 1 0 315.437 3.272 20 5 DGBDRO C[NH+](C)CC[C@H](OCc1ccc([N+](=O)[O-])nc1)c1cccs1 ZINC001224109111 1096135218 /nfs/dbraw/zinc/13/52/18/1096135218.db2.gz NUUIEDAJVUTGHO-ZDUSSCGKSA-N 1 0 321.402 3.261 20 5 DGBDRO C[NH+]1CCC(Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001119338243 1096172127 /nfs/dbraw/zinc/17/21/27/1096172127.db2.gz UULSECFUWDZNSW-UHFFFAOYSA-N 1 0 303.284 3.120 20 5 DGBDRO [NH3+]CCc1cc2ccccc2n1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001171302758 1096215418 /nfs/dbraw/zinc/21/54/18/1096215418.db2.gz SUCKILWCFCQWRH-UHFFFAOYSA-N 1 0 316.748 3.088 20 5 DGBDRO C[N+](C)(C)CCCO[C@@H]1Cc2cccc(Br)c2C1 ZINC001224623010 1096248836 /nfs/dbraw/zinc/24/88/36/1096248836.db2.gz JXKUUPTXHNLUFX-CYBMUJFWSA-N 1 0 313.259 3.029 20 5 DGBDRO C[C@H](Oc1ccc(CC(=[NH2+])NO)cc1)c1ccccc1[N+](=O)[O-] ZINC001225547541 1096465182 /nfs/dbraw/zinc/46/51/82/1096465182.db2.gz YVFSGLSVDAJOSE-NSHDSACASA-N 1 0 315.329 3.233 20 5 DGBDRO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225918727 1096564840 /nfs/dbraw/zinc/56/48/40/1096564840.db2.gz LQEAJKKAFPIMRP-SNVBAGLBSA-N 1 0 304.268 3.087 20 5 DGBDRO Cc1ccnc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1[N+](=O)[O-] ZINC001226118421 1096616648 /nfs/dbraw/zinc/61/66/48/1096616648.db2.gz KYAWOGDGXRSZGF-WDNDVIMCSA-N 1 0 305.378 3.081 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226304321 1096657333 /nfs/dbraw/zinc/65/73/33/1096657333.db2.gz XZSNCHRZQWHFPQ-LLVKDONJSA-N 1 0 318.295 3.475 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001226532662 1096715697 /nfs/dbraw/zinc/71/56/97/1096715697.db2.gz WCAZYYZARYVMSG-CQSZACIVSA-N 1 0 306.362 3.049 20 5 DGBDRO C[NH+](C)C1CCC(Oc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001226743331 1096765794 /nfs/dbraw/zinc/76/57/94/1096765794.db2.gz CVTXYLASWKHWNI-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO Cc1ccc(OC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC001226949983 1096825319 /nfs/dbraw/zinc/82/53/19/1096825319.db2.gz DNCMTRQLTYRFBB-UHFFFAOYSA-N 1 0 313.357 3.346 20 5 DGBDRO CC[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226964632 1096830026 /nfs/dbraw/zinc/83/00/26/1096830026.db2.gz PRKOXEPMDSQREA-SNVBAGLBSA-N 1 0 304.268 3.087 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC001226965466 1096830314 /nfs/dbraw/zinc/83/03/14/1096830314.db2.gz ZBIPAIISVKEESQ-SNVBAGLBSA-N 1 0 318.295 3.477 20 5 DGBDRO [NH3+]Cc1nccnc1Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001171448581 1096855412 /nfs/dbraw/zinc/85/54/12/1096855412.db2.gz BVUKEDQBQGGRID-UHFFFAOYSA-N 1 0 321.340 3.254 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001227153746 1096881410 /nfs/dbraw/zinc/88/14/10/1096881410.db2.gz MFFSDOLXSRZEGN-VIFPVBQESA-N 1 0 304.749 3.496 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1OC1CC[NH+](C(C)(C)C)CC1 ZINC001227188513 1096888919 /nfs/dbraw/zinc/88/89/19/1096888919.db2.gz VNGTYNPJIBQFBS-UHFFFAOYSA-N 1 0 308.378 3.245 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2nc3c(cccc3[N+](=O)[O-])o2)CC1 ZINC001227236654 1096902114 /nfs/dbraw/zinc/90/21/14/1096902114.db2.gz WYYXQBFKQRBJCD-UHFFFAOYSA-N 1 0 319.361 3.378 20 5 DGBDRO CCC(C)(C)[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001171626621 1096938380 /nfs/dbraw/zinc/93/83/80/1096938380.db2.gz XJEMJUVCEORKSH-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC001171653644 1096940298 /nfs/dbraw/zinc/94/02/98/1096940298.db2.gz LVFNRDYQATUXMD-BBRMVZONSA-N 1 0 305.422 3.318 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(=O)Oc2ccccc2)cc1 ZINC001227538917 1096947401 /nfs/dbraw/zinc/94/74/01/1096947401.db2.gz OVWPEKXKUKOQBA-OAHLLOKOSA-N 1 0 314.405 3.379 20 5 DGBDRO COC(=O)c1c(O[C@@H](C)C[N+](C)(C)C)ccc2ccccc21 ZINC001227708527 1096974418 /nfs/dbraw/zinc/97/44/18/1096974418.db2.gz UYDKITPFALAICH-ZDUSSCGKSA-N 1 0 302.394 3.100 20 5 DGBDRO CO[C@@H]1CC[N@H+](CCOc2cccc3cc4ccccc4nc32)C1 ZINC001228175358 1097067828 /nfs/dbraw/zinc/06/78/28/1097067828.db2.gz DGFDHFIESIPXMU-QGZVFWFLSA-N 1 0 322.408 3.488 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC001228209557 1097074218 /nfs/dbraw/zinc/07/42/18/1097074218.db2.gz UGMVZGUXGFKTCD-UHFFFAOYSA-N 1 0 321.402 3.456 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2sc(C(C)(C)C)cc21 ZINC001228403415 1097114412 /nfs/dbraw/zinc/11/44/12/1097114412.db2.gz OYTLHJNMKKWWRF-NSHDSACASA-N 1 0 308.471 3.462 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(OCc2ccccc2)nc1 ZINC001228617175 1097153384 /nfs/dbraw/zinc/15/33/84/1097153384.db2.gz NVJZPLSFDWCNHP-OAHLLOKOSA-N 1 0 301.410 3.134 20 5 DGBDRO C[NH+](C)C1CCC(Oc2cc(F)cc(F)c2[N+](=O)[O-])CC1 ZINC001228614244 1097153400 /nfs/dbraw/zinc/15/34/00/1097153400.db2.gz VBARIZUMOQYFSX-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO Cc1[nH]c(=O)cc(OC2CC(C)(C)[NH+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001228689000 1097168962 /nfs/dbraw/zinc/16/89/62/1097168962.db2.gz OAXZCQMLNWHNOE-UHFFFAOYSA-N 1 0 323.393 3.034 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2CCN(CCF)CC2)cc1Cl ZINC001228758631 1097184143 /nfs/dbraw/zinc/18/41/43/1097184143.db2.gz HCKKFARGUYAIAD-UHFFFAOYSA-N 1 0 302.733 3.061 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228930392 1097219749 /nfs/dbraw/zinc/21/97/49/1097219749.db2.gz LFLCDKSPCOHMLY-SECBINFHSA-N 1 0 304.268 3.087 20 5 DGBDRO CC(=O)c1cccc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001229139359 1097262569 /nfs/dbraw/zinc/26/25/69/1097262569.db2.gz XVVPOHWNKWIORH-CYBMUJFWSA-N 1 0 306.362 3.049 20 5 DGBDRO Cc1ncccc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897363 1097267205 /nfs/dbraw/zinc/26/72/05/1097267205.db2.gz ZUOHVHSDYOIHST-QGZVFWFLSA-N 1 0 311.385 3.335 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccncc1F)CC2 ZINC001172898134 1097267327 /nfs/dbraw/zinc/26/73/27/1097267327.db2.gz GSHZQXHSNKQIFG-HNNXBMFYSA-N 1 0 315.348 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H]3C[C@@H]3[C@H](F)C1)CC2 ZINC001172902415 1097268199 /nfs/dbraw/zinc/26/81/99/1097268199.db2.gz BGXXFDSNVBRFMJ-HDEZJCGLSA-N 1 0 304.365 3.132 20 5 DGBDRO Cc1noc(C)c1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900835 1097268501 /nfs/dbraw/zinc/26/85/01/1097268501.db2.gz GKIZIPDSEUKRAI-OAHLLOKOSA-N 1 0 315.373 3.237 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001229179432 1097272011 /nfs/dbraw/zinc/27/20/11/1097272011.db2.gz LKHHZJWFOMLXMS-CYBMUJFWSA-N 1 0 306.362 3.049 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001229178278 1097272026 /nfs/dbraw/zinc/27/20/26/1097272026.db2.gz UHNYIOFZFBKKCY-IMRBUKKESA-N 1 0 318.373 3.192 20 5 DGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001229179485 1097272219 /nfs/dbraw/zinc/27/22/19/1097272219.db2.gz MLGRWXBSJNDHTF-CQSZACIVSA-N 1 0 320.389 3.439 20 5 DGBDRO Cc1ccnc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172895269 1097278216 /nfs/dbraw/zinc/27/82/16/1097278216.db2.gz BITRIYKRBHXNSE-MRXNPFEDSA-N 1 0 311.385 3.335 20 5 DGBDRO C[NH2+]CCN([C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)C ZINC001172913702 1097278486 /nfs/dbraw/zinc/27/84/86/1097278486.db2.gz UKDJZFISDCFHRR-MRXNPFEDSA-N 1 0 319.449 3.162 20 5 DGBDRO COC[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)C ZINC001172895609 1097278503 /nfs/dbraw/zinc/27/85/03/1097278503.db2.gz GAVSWYHGQVHNLL-RDJZCZTQSA-N 1 0 306.406 3.103 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCn3cccc3C1)CC2 ZINC001172916452 1097279032 /nfs/dbraw/zinc/27/90/32/1097279032.db2.gz RVKQGPYBHZRBLM-MRXNPFEDSA-N 1 0 311.385 3.160 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCc3cccnc3C1)CC2 ZINC001172918576 1097279767 /nfs/dbraw/zinc/27/97/67/1097279767.db2.gz BLGMKLFJKXWGFM-QGZVFWFLSA-N 1 0 323.396 3.296 20 5 DGBDRO CC(C)[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172912453 1097291462 /nfs/dbraw/zinc/29/14/62/1097291462.db2.gz AAVYJFHOARMLEL-WMZOPIPTSA-N 1 0 318.417 3.199 20 5 DGBDRO COCCC[NH+]1CCC(Oc2cc(C)c([N+](=O)[O-])c(C)c2)CC1 ZINC001229468158 1097326718 /nfs/dbraw/zinc/32/67/18/1097326718.db2.gz CHHNGJJWBHUFKY-UHFFFAOYSA-N 1 0 322.405 3.091 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1Cc1ccccc1O ZINC001229567566 1097346366 /nfs/dbraw/zinc/34/63/66/1097346366.db2.gz ZRPWZLOWGWUGGV-HNNXBMFYSA-O 1 0 300.422 3.457 20 5 DGBDRO CCc1cc(Br)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001229593005 1097350730 /nfs/dbraw/zinc/35/07/30/1097350730.db2.gz RMWLGKQEMMTEDZ-NSHDSACASA-N 1 0 301.248 3.485 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2CC(C)C2)c1F ZINC001173175572 1097355993 /nfs/dbraw/zinc/35/59/93/1097355993.db2.gz PLKDMWMDQCJAKE-MOENNCHZSA-N 1 0 310.369 3.309 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2C=CCCC2)c1F ZINC001173178812 1097357062 /nfs/dbraw/zinc/35/70/62/1097357062.db2.gz INHIVXCOSVQSKB-VXGBXAGGSA-N 1 0 308.353 3.372 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccoc2)c1F ZINC001173188071 1097357771 /nfs/dbraw/zinc/35/77/71/1097357771.db2.gz HZRHMMGGZQHQCA-SNVBAGLBSA-N 1 0 308.309 3.056 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CC(C)(C)C2)c1F ZINC001173194465 1097358950 /nfs/dbraw/zinc/35/89/50/1097358950.db2.gz ZRFDFOLCAGPLTR-SNVBAGLBSA-N 1 0 310.369 3.452 20 5 DGBDRO CCCCN(CC)CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215783 1097367478 /nfs/dbraw/zinc/36/74/78/1097367478.db2.gz ZRLBFWGDPICKKI-HNNXBMFYSA-N 1 0 307.438 3.237 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)OCO2 ZINC001173216082 1097367894 /nfs/dbraw/zinc/36/78/94/1097367894.db2.gz KCGWJQUAEFIVER-LBPRGKRZSA-N 1 0 314.341 3.044 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nc2ccccc2o1 ZINC001173217448 1097368896 /nfs/dbraw/zinc/36/88/96/1097368896.db2.gz UXJHMUVPPDSQNO-LBPRGKRZSA-N 1 0 311.341 3.457 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nn(C)c2ccccc12 ZINC001173218001 1097369636 /nfs/dbraw/zinc/36/96/36/1097369636.db2.gz ILDZMIOIMDYXCU-CYBMUJFWSA-N 1 0 324.384 3.202 20 5 DGBDRO COCc1cccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173219269 1097370144 /nfs/dbraw/zinc/37/01/44/1097370144.db2.gz ADENQGPAMVRION-CQSZACIVSA-N 1 0 314.385 3.462 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccccc2)COC1 ZINC001173219152 1097370311 /nfs/dbraw/zinc/37/03/11/1097370311.db2.gz XPOLUOIEIXFIHV-AWEZNQCLSA-N 1 0 312.369 3.041 20 5 DGBDRO COCc1cccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173219267 1097370344 /nfs/dbraw/zinc/37/03/44/1097370344.db2.gz ADENQGPAMVRION-AWEZNQCLSA-N 1 0 314.385 3.462 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC001173219605 1097370436 /nfs/dbraw/zinc/37/04/36/1097370436.db2.gz DTRDVXWKCVQFGJ-ZIAGYGMSSA-N 1 0 314.385 3.452 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001173222599 1097373314 /nfs/dbraw/zinc/37/33/14/1097373314.db2.gz XEZXRIJNVFIAGE-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1Cc2ccc(F)cc2C1 ZINC001173228815 1097375895 /nfs/dbraw/zinc/37/58/95/1097375895.db2.gz KMKSHUAHVKJKCH-SJCJKPOMSA-N 1 0 314.360 3.422 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001173235466 1097378592 /nfs/dbraw/zinc/37/85/92/1097378592.db2.gz XKOAFSMGKRPELD-YOEHRIQHSA-N 1 0 318.417 3.274 20 5 DGBDRO CCOCC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173234252 1097378751 /nfs/dbraw/zinc/37/87/51/1097378751.db2.gz QOHNPRVGWLSTBM-AWEZNQCLSA-N 1 0 306.406 3.274 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC001173233817 1097378776 /nfs/dbraw/zinc/37/87/76/1097378776.db2.gz ZBYBYWQEVMXFKB-ZDUSSCGKSA-N 1 0 306.406 3.415 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c2ccccc2nc1C[NH3+] ZINC001173209625 1097380393 /nfs/dbraw/zinc/38/03/93/1097380393.db2.gz DOPBGVAQTJBASY-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1nc(CC[NH3+])c2ccccc21 ZINC001173236273 1097381507 /nfs/dbraw/zinc/38/15/07/1097381507.db2.gz ZOEHRAFEKCTSRV-CYBMUJFWSA-N 1 0 324.384 3.249 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C(N)=[NH2+])c1ccccc1F ZINC001173214650 1097382246 /nfs/dbraw/zinc/38/22/46/1097382246.db2.gz DFGSGZBWHRYDEF-LLVKDONJSA-N 1 0 316.336 3.065 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001229830922 1097394867 /nfs/dbraw/zinc/39/48/67/1097394867.db2.gz IDCGSIZLOQWFSG-GFCCVEGCSA-N 1 0 318.295 3.477 20 5 DGBDRO COCCC[NH+]1CCC(Oc2cc(C)c(C)c([N+](=O)[O-])c2)CC1 ZINC001230477650 1097495426 /nfs/dbraw/zinc/49/54/26/1097495426.db2.gz NSYGUIXABCXNPE-UHFFFAOYSA-N 1 0 322.405 3.091 20 5 DGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)CC1 ZINC001231156662 1097683971 /nfs/dbraw/zinc/68/39/71/1097683971.db2.gz NHJIPZGVQHCUKL-HDJSIYSDSA-N 1 0 315.373 3.395 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2cnc3c(cccc3[N+](=O)[O-])c2)CC1 ZINC001231156122 1097684241 /nfs/dbraw/zinc/68/42/41/1097684241.db2.gz HKTFWCDKKJYIFQ-UHFFFAOYSA-N 1 0 315.373 3.395 20 5 DGBDRO CCCCCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001175194149 1097962261 /nfs/dbraw/zinc/96/22/61/1097962261.db2.gz BJDAAVIITVXTER-UHFFFAOYSA-N 1 0 321.421 3.161 20 5 DGBDRO C[C@H]1COCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218359 1097969567 /nfs/dbraw/zinc/96/95/67/1097969567.db2.gz HBCLOYKSPUUAEO-CQSZACIVSA-N 1 0 307.397 3.251 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1O ZINC001232218391 1097969816 /nfs/dbraw/zinc/96/98/16/1097969816.db2.gz HQCHIRXVHVQGAS-RDTXWAMCSA-N 1 0 321.424 3.376 20 5 DGBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219095 1097971102 /nfs/dbraw/zinc/97/11/02/1097971102.db2.gz QTTCLCMDFVEVIR-DYVFJYSZSA-N 1 0 307.397 3.128 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@@H]4CCO[C@H]4C3)nc12 ZINC001232220735 1097971739 /nfs/dbraw/zinc/97/17/39/1097971739.db2.gz SLTMTYAUKLKJLU-KDOFPFPSSA-N 1 0 319.408 3.394 20 5 DGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCCC4(COC4)C3)nc12 ZINC001232219694 1097972272 /nfs/dbraw/zinc/97/22/72/1097972272.db2.gz YSHLBWJVGOYVPQ-UHFFFAOYSA-N 1 0 319.408 3.395 20 5 DGBDRO COc1ccc(Nc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC001176361037 1098331415 /nfs/dbraw/zinc/33/14/15/1098331415.db2.gz JWSHDFKAUVEKGO-UHFFFAOYSA-N 1 0 314.345 3.342 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC001233765401 1098426373 /nfs/dbraw/zinc/42/63/73/1098426373.db2.gz UVNCJXGLCRYTMN-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c3cccnc3ccc1[N+](=O)[O-])C2 ZINC001233779464 1098430050 /nfs/dbraw/zinc/43/00/50/1098430050.db2.gz RKQUPEIWROMEBF-ITGUQSILSA-N 1 0 313.357 3.147 20 5 DGBDRO O=[N+]([O-])c1ccc2ncccc2c1OC1CC[NH+](C2CC2)CC1 ZINC001233779909 1098430103 /nfs/dbraw/zinc/43/01/03/1098430103.db2.gz UJUMKNTUMLLUKF-UHFFFAOYSA-N 1 0 313.357 3.149 20 5 DGBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c(C(F)(F)F)c1 ZINC001233820522 1098437316 /nfs/dbraw/zinc/43/73/16/1098437316.db2.gz QAWFLUBOLJPBBE-SNVBAGLBSA-N 1 0 304.332 3.382 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCC[C@@H](C)C1 ZINC001177262211 1098508603 /nfs/dbraw/zinc/50/86/03/1098508603.db2.gz QNEKFVISVWSILX-CYBMUJFWSA-N 1 0 305.422 3.033 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2cc(Br)ccc2c1 ZINC001234523103 1098579478 /nfs/dbraw/zinc/57/94/78/1098579478.db2.gz BLWCEJUMVHTSPV-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2ccc(Br)nc21 ZINC001234602333 1098614309 /nfs/dbraw/zinc/61/43/09/1098614309.db2.gz SGPPOAODWNMFTL-NSHDSACASA-N 1 0 324.242 3.471 20 5 DGBDRO Cc1nccc([N+](=O)[O-])c1O[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001234901358 1098702255 /nfs/dbraw/zinc/70/22/55/1098702255.db2.gz PJVSICRRFJFEKQ-INIZCTEOSA-N 1 0 315.373 3.370 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC001180024282 1099285428 /nfs/dbraw/zinc/28/54/28/1099285428.db2.gz JUUVNBGPJHNFIJ-INIZCTEOSA-N 1 0 317.433 3.272 20 5 DGBDRO [NH3+][C@H]1CN(Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1O ZINC001235959826 1099290996 /nfs/dbraw/zinc/29/09/96/1099290996.db2.gz DBCACGVNHSNHJD-RBUKOAKNSA-N 1 0 316.404 3.088 20 5 DGBDRO Cn1cc(C[N@@H+]2CCCC3(CCCCC3)CC2)c([N+](=O)[O-])n1 ZINC001193437634 1100739099 /nfs/dbraw/zinc/73/90/99/1100739099.db2.gz HOGWKCCHNUBHJI-UHFFFAOYSA-N 1 0 306.410 3.265 20 5 DGBDRO CC[C@H](C[N@H+](C)CC[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC001193485046 1100750539 /nfs/dbraw/zinc/75/05/39/1100750539.db2.gz MMAAMPVRJVPGSC-SNVBAGLBSA-N 1 0 321.204 3.359 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC001195257779 1101106828 /nfs/dbraw/zinc/10/68/28/1101106828.db2.gz JIYHCZGXEJYDTD-UHFFFAOYSA-N 1 0 322.405 3.381 20 5 DGBDRO COC(=O)CN(Cc1ccc(C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001195963894 1101224451 /nfs/dbraw/zinc/22/44/51/1101224451.db2.gz UFGAEJRDIHSLRQ-UHFFFAOYSA-N 1 0 320.389 3.211 20 5 DGBDRO Cc1c(C[NH2+][C@]2(CO)CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC001196217722 1101269163 /nfs/dbraw/zinc/26/91/63/1101269163.db2.gz LEGZSGMVDQXKLM-QGZVFWFLSA-N 1 0 306.406 3.324 20 5 DGBDRO CO[C@H](C)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000688086338 1103197757 /nfs/dbraw/zinc/19/77/57/1103197757.db2.gz XSBVNAIYVWMMTH-LLVKDONJSA-N 1 0 300.786 3.494 20 5 DGBDRO Cc1noc(C[N@@H+](CCc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC001330546528 1104573451 /nfs/dbraw/zinc/57/34/51/1104573451.db2.gz HRBLNPFTKGXRMQ-UHFFFAOYSA-N 1 0 303.362 3.344 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001246988109 1104764667 /nfs/dbraw/zinc/76/46/67/1104764667.db2.gz OJINAGNNKYRSMB-PBHICJAKSA-N 1 0 317.433 3.132 20 5 DGBDRO N[C@@H](C[NH3+])c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247691873 1104957556 /nfs/dbraw/zinc/95/75/56/1104957556.db2.gz ITHPMOAGBVTFGH-INIZCTEOSA-N 1 0 304.353 3.002 20 5 DGBDRO Cc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)cc1 ZINC001249341507 1105271603 /nfs/dbraw/zinc/27/16/03/1105271603.db2.gz ACMIKSDHHASPBM-CQSZACIVSA-N 1 0 324.340 3.196 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094260 1105887416 /nfs/dbraw/zinc/88/74/16/1105887416.db2.gz BANZXHJUWLMEJH-GJZGRUSLSA-N 1 0 305.422 3.286 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC4(CC4)C3)CC2)cc1 ZINC001254474367 1106077674 /nfs/dbraw/zinc/07/76/74/1106077674.db2.gz OJGRXQVXKRMCJE-UHFFFAOYSA-N 1 0 301.390 3.050 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@H](F)CC3)CC2)cc1 ZINC001254473847 1106078226 /nfs/dbraw/zinc/07/82/26/1106078226.db2.gz ILOWOOAZYRIWAC-AWEZNQCLSA-N 1 0 321.396 3.388 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(Cl)ccn1 ZINC001254532036 1106095884 /nfs/dbraw/zinc/09/58/84/1106095884.db2.gz IVPQEHZQAZOFJV-NSHDSACASA-N 1 0 305.765 3.364 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)c1ccccc1F ZINC001254537549 1106098296 /nfs/dbraw/zinc/09/82/96/1106098296.db2.gz FMOTWBFJFXUYLR-LBPRGKRZSA-N 1 0 316.332 3.137 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cncc(Cl)c1 ZINC001254539005 1106099147 /nfs/dbraw/zinc/09/91/47/1106099147.db2.gz AISTYUOOTQWCOD-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO COc1cc(F)ccc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540999 1106099674 /nfs/dbraw/zinc/09/96/74/1106099674.db2.gz XWTQCCDXDCJPSM-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H](C[NH3+])c2ccccc21 ZINC001254543469 1106099964 /nfs/dbraw/zinc/09/99/64/1106099964.db2.gz SDGSDCKNZCPDHU-ZFWWWQNUSA-N 1 0 311.385 3.088 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001254547615 1106100342 /nfs/dbraw/zinc/10/03/42/1106100342.db2.gz JOHNESYAACAXMI-QSPRXWTASA-N 1 0 317.433 3.131 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC([NH3+])(CC2CC2)CC1 ZINC001254545392 1106100401 /nfs/dbraw/zinc/10/04/01/1106100401.db2.gz NEVPMSAGRJOXAG-CQSZACIVSA-N 1 0 317.433 3.119 20 5 DGBDRO CC(C)n1cncc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254545383 1106100528 /nfs/dbraw/zinc/10/05/28/1106100528.db2.gz NAUBZVSSBGXSEM-CYBMUJFWSA-N 1 0 302.378 3.093 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001254551701 1106101317 /nfs/dbraw/zinc/10/13/17/1106101317.db2.gz DHWJCFBNGLEQCI-KEYYUXOJSA-N 1 0 304.390 3.027 20 5 DGBDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1F ZINC001254549720 1106101491 /nfs/dbraw/zinc/10/14/91/1106101491.db2.gz XZNRGQWFFQOHMW-LBPRGKRZSA-N 1 0 318.348 3.463 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(O)cc1F ZINC001254549435 1106101630 /nfs/dbraw/zinc/10/16/30/1106101630.db2.gz VONPPLUZQUXPRQ-NSHDSACASA-N 1 0 304.321 3.160 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccc(F)cc2C1 ZINC001254549357 1106101844 /nfs/dbraw/zinc/10/18/44/1106101844.db2.gz SIGZGXNCHGRZAS-SJKOYZFVSA-N 1 0 314.360 3.422 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001254564248 1106105410 /nfs/dbraw/zinc/10/54/10/1106105410.db2.gz JXFMMHQLNSGKSS-ZBFHGGJFSA-N 1 0 318.417 3.274 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001254570064 1106105940 /nfs/dbraw/zinc/10/59/40/1106105940.db2.gz MGXFMJHEDDKNSS-YSVLISHTSA-N 1 0 304.390 3.027 20 5 DGBDRO Cc1cnc2c(c1)C[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254569077 1106106169 /nfs/dbraw/zinc/10/61/69/1106106169.db2.gz HOVGUPJKCNWARS-CQSZACIVSA-N 1 0 311.385 3.288 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCc3ncccc31)C2 ZINC001254574710 1106106831 /nfs/dbraw/zinc/10/68/31/1106106831.db2.gz KJWKODQBFOFUHJ-KDOFPFPSSA-N 1 0 309.369 3.124 20 5 DGBDRO CC(C)[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254576817 1106107642 /nfs/dbraw/zinc/10/76/42/1106107642.db2.gz ZWZQWMVQQJVGGY-QAPCUYQASA-N 1 0 311.385 3.444 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)C2 ZINC001254577218 1106107728 /nfs/dbraw/zinc/10/77/28/1106107728.db2.gz DHWWOZZILNEKID-SJLPKXTDSA-N 1 0 309.369 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCc3ccc(F)cc31)C2 ZINC001254579632 1106108263 /nfs/dbraw/zinc/10/82/63/1106108263.db2.gz UPRBZCBRWOINNH-MAUKXSAKSA-N 1 0 312.344 3.478 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCc3sccc31)C2 ZINC001254588845 1106109314 /nfs/dbraw/zinc/10/93/14/1106109314.db2.gz IZSHMUIEFAOFMP-DOMZBBRYSA-N 1 0 300.383 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H]1c1ccncc1)C2 ZINC001254599578 1106110958 /nfs/dbraw/zinc/11/09/58/1106110958.db2.gz MUVHCBFZHNOEAA-ZWKOTPCHSA-N 1 0 309.369 3.294 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]c3c(O)cccc13)C2 ZINC001256389146 1106414260 /nfs/dbraw/zinc/41/42/60/1106414260.db2.gz ZPGYIORBSIQYIM-UHFFFAOYSA-N 1 0 307.309 3.369 20 5 DGBDRO Cc1c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)ccc2c[nH+]cn21 ZINC001320263000 1106942227 /nfs/dbraw/zinc/94/22/27/1106942227.db2.gz OJSFOJQNHJXLBX-LLVKDONJSA-N 1 0 324.340 3.042 20 5 DGBDRO CC1(C)CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC001262013390 1107573990 /nfs/dbraw/zinc/57/39/90/1107573990.db2.gz AOSOOKVGNCNILN-UHFFFAOYSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1cc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC001262376768 1107705171 /nfs/dbraw/zinc/70/51/71/1107705171.db2.gz BGQZYCKMVYCKPF-IHRRRGAJSA-N 1 0 321.396 3.209 20 5 DGBDRO CC(C)c1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001319947738 1108709775 /nfs/dbraw/zinc/70/97/75/1108709775.db2.gz LLGCWUOZLSGWHP-INIZCTEOSA-N 1 0 317.433 3.388 20 5 DGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001306943749 1111253227 /nfs/dbraw/zinc/25/32/27/1111253227.db2.gz QBOJRYXFCBUCCH-JTQLQIEISA-N 1 0 315.295 3.262 20 5 DGBDRO CC(C)(C)[NH2+]CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001306973467 1111256977 /nfs/dbraw/zinc/25/69/77/1111256977.db2.gz KHSFSTXCKMDYDT-UHFFFAOYSA-N 1 0 305.300 3.414 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC3(CCCCC3)CC2)nc1 ZINC001307105539 1111266128 /nfs/dbraw/zinc/26/61/28/1111266128.db2.gz SRKPAHFXXZCZHT-UHFFFAOYSA-N 1 0 318.421 3.448 20 5 DGBDRO CN(CC(C)(C)C[NH+](C)C)c1nccc2c1cccc2[N+](=O)[O-] ZINC001307228025 1111282043 /nfs/dbraw/zinc/28/20/43/1111282043.db2.gz MJYSDOVNKNCLHC-UHFFFAOYSA-N 1 0 316.405 3.167 20 5 DGBDRO CC[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001307493086 1111305515 /nfs/dbraw/zinc/30/55/15/1111305515.db2.gz HBJNDKAQKJUVSU-GUYCJALGSA-N 1 0 319.405 3.434 20 5 DGBDRO C[Si](C)(C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001307506264 1111307838 /nfs/dbraw/zinc/30/78/38/1111307838.db2.gz MATDNULDDMWEMB-UHFFFAOYSA-N 1 0 312.445 3.065 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCC3(CCC3)O1)CC2 ZINC001307524808 1111310563 /nfs/dbraw/zinc/31/05/63/1111310563.db2.gz ZZGQNDYZWGATAT-KRWDZBQOSA-N 1 0 316.401 3.445 20 5 DGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001307779345 1111338707 /nfs/dbraw/zinc/33/87/07/1111338707.db2.gz SOOABSCDUJZJCG-JKSUJKDBSA-N 1 0 322.405 3.155 20 5 DGBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC001307777863 1111338908 /nfs/dbraw/zinc/33/89/08/1111338908.db2.gz FEPXWVWAUFSSTJ-ZFWWWQNUSA-N 1 0 314.332 3.166 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](Cn2ccnc2)c2ccccc2)c1 ZINC001308032040 1111369265 /nfs/dbraw/zinc/36/92/65/1111369265.db2.gz BCWTZQNDKQDTHC-GOSISDBHSA-N 1 0 322.368 3.322 20 5 DGBDRO CC[C@H]([NH2+]Cc1cnn(C)c1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001308353457 1111420264 /nfs/dbraw/zinc/42/02/64/1111420264.db2.gz CEGLGMIAXGQOHW-INIZCTEOSA-N 1 0 314.389 3.447 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC001308419609 1111427203 /nfs/dbraw/zinc/42/72/03/1111427203.db2.gz ZAEWGAUUWYXZGY-MRXNPFEDSA-N 1 0 320.433 3.490 20 5 DGBDRO CCOc1cccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001308536456 1111439692 /nfs/dbraw/zinc/43/96/92/1111439692.db2.gz YVWWTADMLOCJEG-CYBMUJFWSA-N 1 0 315.373 3.282 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC001308583270 1111447212 /nfs/dbraw/zinc/44/72/12/1111447212.db2.gz JZZHYBPZDUXZBY-INIZCTEOSA-N 1 0 317.433 3.272 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000278492149 214188821 /nfs/dbraw/zinc/18/88/21/214188821.db2.gz LMOKLIYCZGPEJZ-INIZCTEOSA-N 1 0 320.776 3.380 20 5 DGBDRO C[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447588921 290637753 /nfs/dbraw/zinc/63/77/53/290637753.db2.gz VWYZLMRHPUALRC-ZQDZILKHSA-N 1 0 306.410 3.443 20 5 DGBDRO Cc1cc(NC[C@@H]2CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272849947 210245828 /nfs/dbraw/zinc/24/58/28/210245828.db2.gz ONSSOLZURDEXPK-LBPRGKRZSA-N 1 0 301.346 3.290 20 5 DGBDRO COCC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278753456 214376493 /nfs/dbraw/zinc/37/64/93/214376493.db2.gz QJLLVWJSZGZBMO-SECBINFHSA-N 1 0 306.284 3.128 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000318512327 231171861 /nfs/dbraw/zinc/17/18/61/231171861.db2.gz YHJZKVSZDFBIDP-SQWLQELKSA-N 1 0 324.808 3.374 20 5 DGBDRO Cc1nccn1CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309528 282209003 /nfs/dbraw/zinc/20/90/03/282209003.db2.gz FARQJADFWIJAJJ-QGZVFWFLSA-N 1 0 314.389 3.157 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])cc1OC ZINC000092780994 185340196 /nfs/dbraw/zinc/34/01/96/185340196.db2.gz LRPFFVQNZOOKIH-CQSZACIVSA-N 1 0 320.389 3.377 20 5 DGBDRO CN(CCC[NH+]1CCCC1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432164157 529886584 /nfs/dbraw/zinc/88/65/84/529886584.db2.gz QFHGRJYJSUSLHX-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297408697 529939851 /nfs/dbraw/zinc/93/98/51/529939851.db2.gz CRKOWXBIVJJDCK-HZPDHXFCSA-N 1 0 314.389 3.059 20 5 DGBDRO CCOC(=O)CCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181832798 199359286 /nfs/dbraw/zinc/35/92/86/199359286.db2.gz NJQNAGHPQNFISV-CYBMUJFWSA-N 1 0 308.378 3.287 20 5 DGBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000130342614 432021723 /nfs/dbraw/zinc/02/17/23/432021723.db2.gz ANSKZAUXEDQYBZ-HNNXBMFYSA-N 1 0 320.389 3.472 20 5 DGBDRO C[C@H]([NH2+]CCCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173316008 186175576 /nfs/dbraw/zinc/17/55/76/186175576.db2.gz GKHXIMAGMUYTKX-JTQLQIEISA-N 1 0 306.284 3.214 20 5 DGBDRO Cc1ccnc(NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000265154987 186342864 /nfs/dbraw/zinc/34/28/64/186342864.db2.gz CGYRYJDNFHGKSG-LLVKDONJSA-N 1 0 306.391 3.075 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NCC1CC[NH+](C2CC2)CC1 ZINC000277603842 186478751 /nfs/dbraw/zinc/47/87/51/186478751.db2.gz ABSWMNFARBETKT-UHFFFAOYSA-N 1 0 319.405 3.028 20 5 DGBDRO COC(C)(C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130507215 432026856 /nfs/dbraw/zinc/02/68/56/432026856.db2.gz MQLSHQZLDRBRSO-HIFRSBDPSA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000130663526 432028051 /nfs/dbraw/zinc/02/80/51/432028051.db2.gz JJNBDHSDPYRENS-UHFFFAOYSA-N 1 0 317.370 3.337 20 5 DGBDRO CCOC[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000072975483 191260848 /nfs/dbraw/zinc/26/08/48/191260848.db2.gz WCNUTRRVMKQFSN-OAHLLOKOSA-N 1 0 322.405 3.112 20 5 DGBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000174815203 198388465 /nfs/dbraw/zinc/38/84/65/198388465.db2.gz XEBNPUPJKBMRSF-CQSZACIVSA-N 1 0 308.769 3.186 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000182722088 199480506 /nfs/dbraw/zinc/48/05/06/199480506.db2.gz ZAAZJANGQHACCN-CHWSQXEVSA-N 1 0 319.405 3.256 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCCNc2ccccn2)cccc1[N+](=O)[O-] ZINC000163825984 432043662 /nfs/dbraw/zinc/04/36/62/432043662.db2.gz URLVSJAUORRYFC-CQSZACIVSA-N 1 0 314.389 3.451 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000179141068 432044694 /nfs/dbraw/zinc/04/46/94/432044694.db2.gz WIDUYNMHEGTJNX-WIYYGXSFSA-N 1 0 316.401 3.216 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000067960847 432047453 /nfs/dbraw/zinc/04/74/53/432047453.db2.gz DMAPLEROKLBBMB-CYBMUJFWSA-N 1 0 305.378 3.106 20 5 DGBDRO CC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184391144 199711273 /nfs/dbraw/zinc/71/12/73/199711273.db2.gz HSXHTAFKJQVGDV-GFCCVEGCSA-N 1 0 321.402 3.479 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000179424717 432056987 /nfs/dbraw/zinc/05/69/87/432056987.db2.gz XLUFTXSDUVKGGK-TZMCWYRMSA-N 1 0 324.421 3.441 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@H+](C)C1CCCC1 ZINC000133252336 432059011 /nfs/dbraw/zinc/05/90/11/432059011.db2.gz NHODLBRMHJLCNX-CQSZACIVSA-N 1 0 305.422 3.428 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281257 432059907 /nfs/dbraw/zinc/05/99/07/432059907.db2.gz ZHINZWBZWUOYPJ-IACUBPJLSA-N 1 0 303.406 3.179 20 5 DGBDRO CCOCc1ccccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000236990785 202109672 /nfs/dbraw/zinc/10/96/72/202109672.db2.gz GXQODQQIMBSMGQ-UHFFFAOYSA-N 1 0 300.358 3.421 20 5 DGBDRO Cc1noc(C)c1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000166734819 432062173 /nfs/dbraw/zinc/06/21/73/432062173.db2.gz GYGQLLROVIYGHV-UHFFFAOYSA-N 1 0 315.373 3.407 20 5 DGBDRO CCCN(CC[NH+]1CCCCC1)c1ncc(C)cc1[N+](=O)[O-] ZINC000343344796 283252263 /nfs/dbraw/zinc/25/22/63/283252263.db2.gz DYAFWJWBXSVEQQ-UHFFFAOYSA-N 1 0 306.410 3.001 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cccc1[N+](=O)[O-] ZINC000276730342 213072641 /nfs/dbraw/zinc/07/26/41/213072641.db2.gz FDIVMYWRDLDREI-DJIMGWMZSA-N 1 0 316.401 3.341 20 5 DGBDRO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCOC1 ZINC000180159756 199124991 /nfs/dbraw/zinc/12/49/91/199124991.db2.gz PLPITVTVVHIGSG-CYBMUJFWSA-N 1 0 316.357 3.323 20 5 DGBDRO C[C@H]([NH2+]CCCCCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000180429921 199158298 /nfs/dbraw/zinc/15/82/98/199158298.db2.gz WCIBBMMECFJVHI-AWEZNQCLSA-N 1 0 302.378 3.312 20 5 DGBDRO Cc1c([C@H](C)NC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000180402556 199154260 /nfs/dbraw/zinc/15/42/60/199154260.db2.gz NPIXYSUXEKHWIF-AWEZNQCLSA-N 1 0 305.422 3.427 20 5 DGBDRO COCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179968661 432075584 /nfs/dbraw/zinc/07/55/84/432075584.db2.gz KLDPWYALZBYXOV-QGZVFWFLSA-N 1 0 300.358 3.310 20 5 DGBDRO C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000276648783 213021996 /nfs/dbraw/zinc/02/19/96/213021996.db2.gz QLDDQMSXEKECMF-LBPRGKRZSA-N 1 0 312.373 3.205 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180736779 199202490 /nfs/dbraw/zinc/20/24/90/199202490.db2.gz YDIFVPGLXGCZPV-BBRMVZONSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000415574717 237225268 /nfs/dbraw/zinc/22/52/68/237225268.db2.gz DTAZUHQYZYNFTM-INIZCTEOSA-N 1 0 322.409 3.097 20 5 DGBDRO COc1ccc(C[NH2+]CC2(OC)CCCCC2)cc1[N+](=O)[O-] ZINC000187441134 200113084 /nfs/dbraw/zinc/11/30/84/200113084.db2.gz JPNOIYXEKLFKBQ-UHFFFAOYSA-N 1 0 308.378 3.042 20 5 DGBDRO C[C@@H]1CCCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000187925244 200177354 /nfs/dbraw/zinc/17/73/54/200177354.db2.gz BZALTWSUBAVHCH-GFCCVEGCSA-N 1 0 316.361 3.267 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C3CC3)C1)CCCC2 ZINC000417300300 237610493 /nfs/dbraw/zinc/61/04/93/237610493.db2.gz AKNVZWOVAGWSJV-KDOFPFPSSA-N 1 0 315.417 3.189 20 5 DGBDRO CC(C)(O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180514994 432089382 /nfs/dbraw/zinc/08/93/82/432089382.db2.gz QIARXKFYAQRIAI-INIZCTEOSA-N 1 0 300.358 3.045 20 5 DGBDRO C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000190321949 200518075 /nfs/dbraw/zinc/51/80/75/200518075.db2.gz IVDHVOXGSDUDAT-CYBMUJFWSA-N 1 0 320.389 3.179 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430226661 238071601 /nfs/dbraw/zinc/07/16/01/238071601.db2.gz NKTRATRUUTWBAX-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO O=[N+]([O-])c1cccc2c(NCCC[NH+]3CCCCC3)ccnc21 ZINC000432325464 238125031 /nfs/dbraw/zinc/12/50/31/238125031.db2.gz KSVWUYKFTSHWNE-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO COc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000246074800 432091541 /nfs/dbraw/zinc/09/15/41/432091541.db2.gz DBPQPTMZHKFCTM-CJNGLKHVSA-N 1 0 322.430 3.463 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)CC1CCC1)CCC2 ZINC000281299839 216222078 /nfs/dbraw/zinc/22/20/78/216222078.db2.gz YOLHSHSHSXNXRD-PBHICJAKSA-N 1 0 304.390 3.113 20 5 DGBDRO CCn1cc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449680208 240365715 /nfs/dbraw/zinc/36/57/15/240365715.db2.gz SVDAUFBSEMIKDG-OLZOCXBDSA-N 1 0 302.378 3.093 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)CCC2 ZINC000193319129 201028221 /nfs/dbraw/zinc/02/82/21/201028221.db2.gz YQHMBQSDNUWXKG-COXVUDFISA-N 1 0 304.390 3.113 20 5 DGBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000193333792 201032441 /nfs/dbraw/zinc/03/24/41/201032441.db2.gz XFJKAFZYIDKTMN-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO COc1ccc(C[N@H+](C)CCc2cccs2)cc1[N+](=O)[O-] ZINC000171040871 432096638 /nfs/dbraw/zinc/09/66/38/432096638.db2.gz SJAJHNMVSRXSMK-UHFFFAOYSA-N 1 0 306.387 3.339 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000193836576 201131582 /nfs/dbraw/zinc/13/15/82/201131582.db2.gz UJFPJRLLWXUQNQ-CQSZACIVSA-N 1 0 305.334 3.268 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000194006268 201160761 /nfs/dbraw/zinc/16/07/61/201160761.db2.gz BWPNBBFCYDITQJ-SMDDNHRTSA-N 1 0 305.378 3.010 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000194006280 201160782 /nfs/dbraw/zinc/16/07/82/201160782.db2.gz BWPNBBFCYDITQJ-FZMZJTMJSA-N 1 0 305.378 3.010 20 5 DGBDRO CCO[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000194467905 201233118 /nfs/dbraw/zinc/23/31/18/201233118.db2.gz AZNOWFJLUFNMGD-KRWDZBQOSA-N 1 0 300.358 3.462 20 5 DGBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444590687 239301087 /nfs/dbraw/zinc/30/10/87/239301087.db2.gz MFYDDNITOHUQEU-NEPJUHHUSA-N 1 0 302.378 3.482 20 5 DGBDRO COc1ccc(OCC[N@H+](CC2CCC2)C(C)C)c([N+](=O)[O-])c1 ZINC000444770120 239348924 /nfs/dbraw/zinc/34/89/24/239348924.db2.gz YHUPAKRMLDLFNJ-UHFFFAOYSA-N 1 0 322.405 3.493 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000444754970 239344382 /nfs/dbraw/zinc/34/43/82/239344382.db2.gz VHNDIMMRXLYMSN-CQSZACIVSA-N 1 0 319.405 3.210 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2F)n1 ZINC000447510466 239642943 /nfs/dbraw/zinc/64/29/43/239642943.db2.gz ILGSYERXYFOJJC-HUUCEWRRSA-N 1 0 318.352 3.204 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccs2)n1 ZINC000447519916 239644501 /nfs/dbraw/zinc/64/45/01/239644501.db2.gz ROJMYUQNNCJPNJ-STQMWFEESA-N 1 0 306.391 3.126 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccccc1F ZINC000449061072 239997354 /nfs/dbraw/zinc/99/73/54/239997354.db2.gz UUNOKLSZLAWZDL-ZDUSSCGKSA-N 1 0 318.348 3.334 20 5 DGBDRO C[C@@H](Cc1cccc(O)c1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449131836 240031476 /nfs/dbraw/zinc/03/14/76/240031476.db2.gz PXXDFDZHJHHOOE-KBPBESRZSA-N 1 0 314.385 3.452 20 5 DGBDRO Cc1ccc2nc(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])cn2c1 ZINC000449131269 240031660 /nfs/dbraw/zinc/03/16/60/240031660.db2.gz LHTRIYLMGWZHTI-CQSZACIVSA-N 1 0 324.384 3.272 20 5 DGBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159998 240045072 /nfs/dbraw/zinc/04/50/72/240045072.db2.gz KFCANFAPCNCAPB-NWDGAFQWSA-N 1 0 317.389 3.351 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449181825 240054936 /nfs/dbraw/zinc/05/49/36/240054936.db2.gz BJRRGWCZCLLMBU-UKRRQHHQSA-N 1 0 304.390 3.217 20 5 DGBDRO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449205652 240066416 /nfs/dbraw/zinc/06/64/16/240066416.db2.gz OIGQZLLOJKHHQH-NEPJUHHUSA-N 1 0 317.393 3.118 20 5 DGBDRO Cc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1F ZINC000449285326 240108994 /nfs/dbraw/zinc/10/89/94/240108994.db2.gz DITVTUQWAFFHIW-UHFFFAOYSA-N 1 0 318.352 3.076 20 5 DGBDRO Cc1ncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449494912 240246806 /nfs/dbraw/zinc/24/68/06/240246806.db2.gz BOYZVMDQOWWNIY-INIZCTEOSA-N 1 0 312.373 3.073 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCCOC3)C2)cc1 ZINC000449499640 240247863 /nfs/dbraw/zinc/24/78/63/240247863.db2.gz MJSVVWOCZXBIRC-GOEBONIOSA-N 1 0 304.390 3.201 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000449497818 240248447 /nfs/dbraw/zinc/24/84/47/240248447.db2.gz ARHSSGMVKQJYLP-GOEBONIOSA-N 1 0 324.808 3.135 20 5 DGBDRO Cc1c(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cnn1C ZINC000449503559 240249829 /nfs/dbraw/zinc/24/98/29/240249829.db2.gz UHOJBIRDUIMSJN-OAHLLOKOSA-N 1 0 314.389 3.016 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000449475032 240231527 /nfs/dbraw/zinc/23/15/27/240231527.db2.gz DWJZOIHHHMZGRI-GFCCVEGCSA-N 1 0 308.353 3.173 20 5 DGBDRO CO[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000449482157 240234069 /nfs/dbraw/zinc/23/40/69/240234069.db2.gz ATEHFCXVULQXAS-KRWDZBQOSA-N 1 0 318.348 3.385 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449557067 240286768 /nfs/dbraw/zinc/28/67/68/240286768.db2.gz UETIWQGXUWGIEH-WLJOHKDUSA-N 1 0 316.401 3.091 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560052 240287747 /nfs/dbraw/zinc/28/77/47/240287747.db2.gz FKBXZNOBOGOERA-ASUYUQDCSA-N 1 0 315.417 3.213 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449568361 240292253 /nfs/dbraw/zinc/29/22/53/240292253.db2.gz BAQASDBJJYRTPR-VNHYZAJKSA-N 1 0 314.389 3.408 20 5 DGBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449639729 240340760 /nfs/dbraw/zinc/34/07/60/240340760.db2.gz QEKJXODEYGLXCR-JKSUJKDBSA-N 1 0 318.373 3.494 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@H]1CCOC1 ZINC000449690679 240371762 /nfs/dbraw/zinc/37/17/62/240371762.db2.gz QVSYYCNYBYUGEU-LTBFUDJGSA-N 1 0 304.390 3.404 20 5 DGBDRO CO[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000091772508 193105224 /nfs/dbraw/zinc/10/52/24/193105224.db2.gz ANALREFAOQDKRX-CYBMUJFWSA-N 1 0 316.357 3.466 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000092046583 193147371 /nfs/dbraw/zinc/14/73/71/193147371.db2.gz HUVXYMYRQBGKMK-ZGRWHYIRSA-N 1 0 315.417 3.168 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000092046582 193147636 /nfs/dbraw/zinc/14/76/36/193147636.db2.gz HUVXYMYRQBGKMK-JZLODUJNSA-N 1 0 315.417 3.168 20 5 DGBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000451089927 241002635 /nfs/dbraw/zinc/00/26/35/241002635.db2.gz FUVRTQRTVTVPAR-GFCCVEGCSA-N 1 0 323.824 3.164 20 5 DGBDRO C[C@@H](NCc1c([N+](=O)[O-])ncn1C)c1cccc(C2CC2)c1 ZINC000451115789 241012058 /nfs/dbraw/zinc/01/20/58/241012058.db2.gz PZHNKCBXLOPIDN-LLVKDONJSA-N 1 0 300.362 3.057 20 5 DGBDRO Cc1ccccc1CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451166673 241028862 /nfs/dbraw/zinc/02/88/62/241028862.db2.gz PBRRXXQGWQUULN-UHFFFAOYSA-N 1 0 324.384 3.454 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCc3ccncc3)C2)cc1 ZINC000451545130 241167960 /nfs/dbraw/zinc/16/79/60/241167960.db2.gz GITLFKDABMKYNU-KRWDZBQOSA-N 1 0 311.385 3.412 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCOCC3CC3)C2)cc1 ZINC000451548098 241169063 /nfs/dbraw/zinc/16/90/63/241169063.db2.gz MQYHIKRZDUWAFD-MRXNPFEDSA-N 1 0 304.390 3.201 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCC34CCCC4)nc2c1 ZINC000451458127 241129535 /nfs/dbraw/zinc/12/95/35/241129535.db2.gz NZOQIMJQQZITBA-CQSZACIVSA-N 1 0 300.362 3.284 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000451956892 241284003 /nfs/dbraw/zinc/28/40/03/241284003.db2.gz DMLZVQLOQRUODV-INIZCTEOSA-N 1 0 322.430 3.193 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)CCC1(C)C ZINC000452000433 241293892 /nfs/dbraw/zinc/29/38/92/241293892.db2.gz BRZBBIZJVGLJBC-CYBMUJFWSA-N 1 0 319.405 3.495 20 5 DGBDRO C[C@@H](CCO)C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000271791427 209219429 /nfs/dbraw/zinc/21/94/29/209219429.db2.gz GWCBOKFOFXNKQV-SZTZYQKNSA-N 1 0 318.417 3.386 20 5 DGBDRO Cc1ccncc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453325352 241723602 /nfs/dbraw/zinc/72/36/02/241723602.db2.gz MANKKPZEZPYVEE-QGZVFWFLSA-N 1 0 311.385 3.409 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000271778696 209206204 /nfs/dbraw/zinc/20/62/04/209206204.db2.gz DCMIQJSUNMVIGO-OCCSQVGLSA-N 1 0 316.357 3.369 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC1CC1 ZINC000114724275 284110904 /nfs/dbraw/zinc/11/09/04/284110904.db2.gz CUVQWYAHYVGVBF-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1CCOCC1 ZINC000468626331 244056813 /nfs/dbraw/zinc/05/68/13/244056813.db2.gz CCRLZOYPMUDKND-KAMYIIQDSA-N 1 0 304.390 3.404 20 5 DGBDRO CC[C@H](C)N(C)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468647978 244058733 /nfs/dbraw/zinc/05/87/33/244058733.db2.gz IDNAVYREGIBAAE-SZGZABIGSA-N 1 0 305.422 3.318 20 5 DGBDRO CCCN(CC)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468748629 244062995 /nfs/dbraw/zinc/06/29/95/244062995.db2.gz UBIOLBOIAPZHDR-QINSGFPZSA-N 1 0 305.422 3.320 20 5 DGBDRO C[C@H](CCC1CC1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469810356 244125330 /nfs/dbraw/zinc/12/53/30/244125330.db2.gz WJJMWGZIMGPIMV-OLZOCXBDSA-N 1 0 319.405 3.480 20 5 DGBDRO CC[N@H+](C)C[C@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178628 244156888 /nfs/dbraw/zinc/15/68/88/244156888.db2.gz LQKFVYKUJFROMZ-IUYQLWOBSA-N 1 0 317.433 3.272 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000470200599 244160409 /nfs/dbraw/zinc/16/04/09/244160409.db2.gz CADBISOUQFWTIP-JRIYGVKESA-N 1 0 315.417 3.024 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CCCO[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000472578968 244309929 /nfs/dbraw/zinc/30/99/29/244309929.db2.gz NPBIBHULPLAKHZ-YOEHRIQHSA-N 1 0 322.405 3.487 20 5 DGBDRO C[C@@H]1C[C@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000119285537 284139437 /nfs/dbraw/zinc/13/94/37/284139437.db2.gz KNFOMBBHKXGIJM-VXGBXAGGSA-N 1 0 311.813 3.163 20 5 DGBDRO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000120266528 284164527 /nfs/dbraw/zinc/16/45/27/284164527.db2.gz NVPBVYLFMSJLFS-ZDUSSCGKSA-N 1 0 307.394 3.208 20 5 DGBDRO COc1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000093441986 193252859 /nfs/dbraw/zinc/25/28/59/193252859.db2.gz VKJBYGICNIHUIB-STQMWFEESA-N 1 0 320.389 3.234 20 5 DGBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000093843781 193317628 /nfs/dbraw/zinc/31/76/28/193317628.db2.gz DTPVQQPRKLBDJA-GQCTYLIASA-N 1 0 303.387 3.239 20 5 DGBDRO C[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000121589369 284201592 /nfs/dbraw/zinc/20/15/92/284201592.db2.gz OCSVCWIXAOCZHP-HUUCEWRRSA-N 1 0 305.422 3.367 20 5 DGBDRO C[C@@H]([NH2+]CCCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268725649 432126164 /nfs/dbraw/zinc/12/61/64/432126164.db2.gz QWOHOZSFSHNZAC-LLVKDONJSA-N 1 0 306.387 3.356 20 5 DGBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000268767307 432128753 /nfs/dbraw/zinc/12/87/53/432128753.db2.gz CIMDALYEDADBFJ-DYVFJYSZSA-N 1 0 300.358 3.287 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000161474045 197497134 /nfs/dbraw/zinc/49/71/34/197497134.db2.gz OUJCMGQAIGQFPU-PBHICJAKSA-N 1 0 314.385 3.330 20 5 DGBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000282936388 217337453 /nfs/dbraw/zinc/33/74/53/217337453.db2.gz IJASDERXLKILGC-ZKKXHLJNSA-N 1 0 312.373 3.009 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CCO)c1ccccc1 ZINC000283000192 217378813 /nfs/dbraw/zinc/37/88/13/217378813.db2.gz FOYDIZAZHBXSNT-MRXNPFEDSA-N 1 0 318.348 3.289 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1ccccc1 ZINC000288537490 220215557 /nfs/dbraw/zinc/21/55/57/220215557.db2.gz KPYFBQVRKHXTSO-MEDUHNTESA-N 1 0 320.776 3.460 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000181492403 432131396 /nfs/dbraw/zinc/13/13/96/432131396.db2.gz MSDCLPISMAYWEA-OAHLLOKOSA-N 1 0 310.369 3.155 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000268768928 432131405 /nfs/dbraw/zinc/13/14/05/432131405.db2.gz DFFWXIFXSAPQQD-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])c1ccco1 ZINC000288547300 220224815 /nfs/dbraw/zinc/22/48/15/220224815.db2.gz SQUUZTAKSUVGSY-OAHLLOKOSA-N 1 0 318.377 3.265 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1cscn1)C1CC1 ZINC000134859758 284453112 /nfs/dbraw/zinc/45/31/12/284453112.db2.gz SZEXYVHJOKPVAR-OAHLLOKOSA-N 1 0 317.414 3.205 20 5 DGBDRO C[C@@]1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000494799354 246194287 /nfs/dbraw/zinc/19/42/87/246194287.db2.gz JAAUDCUSEAMOPK-LSDHHAIUSA-N 1 0 310.781 3.295 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])s2)c1 ZINC000190319680 432143535 /nfs/dbraw/zinc/14/35/35/432143535.db2.gz NMFKAZPJFVHKMQ-UHFFFAOYSA-N 1 0 306.391 3.115 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CCCCCC1 ZINC000039536605 183020377 /nfs/dbraw/zinc/02/03/77/183020377.db2.gz YXOFOSHRFJORMK-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO CC1CC[NH+](CCNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000040771844 183131227 /nfs/dbraw/zinc/13/12/27/183131227.db2.gz WZJXUGCUIKAMKK-UHFFFAOYSA-N 1 0 311.813 3.070 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1(O)CCC1 ZINC000284203355 217927719 /nfs/dbraw/zinc/92/77/19/217927719.db2.gz BURVQUOWUUFRDT-ZDUSSCGKSA-N 1 0 324.446 3.360 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](COC)C(C)C)cc1[N+](=O)[O-] ZINC000153984082 284705039 /nfs/dbraw/zinc/70/50/39/284705039.db2.gz DTJHVJOPUUGFJI-OCCSQVGLSA-N 1 0 310.394 3.315 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](c1ccco1)N(C)C ZINC000154097345 284712094 /nfs/dbraw/zinc/71/20/94/284712094.db2.gz HIQJTDIDAURBBF-XJKSGUPXSA-N 1 0 317.389 3.450 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000105442931 194105164 /nfs/dbraw/zinc/10/51/64/194105164.db2.gz FUPFAERPHOYICV-DYLGSBMWSA-N 1 0 314.389 3.039 20 5 DGBDRO C[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nccs1 ZINC000284870339 218214451 /nfs/dbraw/zinc/21/44/51/218214451.db2.gz AYMQCYGRMIHGAW-NXEZZACHSA-N 1 0 306.391 3.088 20 5 DGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000191567022 284781693 /nfs/dbraw/zinc/78/16/93/284781693.db2.gz XCZAWWKYLFLTFR-PBHICJAKSA-N 1 0 314.385 3.157 20 5 DGBDRO COc1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000106465957 194219281 /nfs/dbraw/zinc/21/92/81/194219281.db2.gz PCHQSJXGARTWQC-UHFFFAOYSA-N 1 0 321.421 3.002 20 5 DGBDRO COCC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC000285231685 218343438 /nfs/dbraw/zinc/34/34/38/218343438.db2.gz PHPVOLVOFPXPNA-SMDDNHRTSA-N 1 0 319.361 3.198 20 5 DGBDRO C[C@@H]1CC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000245568830 284826537 /nfs/dbraw/zinc/82/65/37/284826537.db2.gz ABFXPFCXFPSBCT-PBFPGSCMSA-N 1 0 318.417 3.462 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCCCC1 ZINC000268897401 207065879 /nfs/dbraw/zinc/06/58/79/207065879.db2.gz ZEOYUJUVCYFATO-AWEZNQCLSA-N 1 0 306.406 3.201 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCCCC1 ZINC000268897402 207066804 /nfs/dbraw/zinc/06/68/04/207066804.db2.gz ZEOYUJUVCYFATO-CQSZACIVSA-N 1 0 306.406 3.201 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268979910 207140109 /nfs/dbraw/zinc/14/01/09/207140109.db2.gz CBWXXALXAPYBRH-FFSVYQOJSA-N 1 0 303.406 3.037 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000269003513 207159492 /nfs/dbraw/zinc/15/94/92/207159492.db2.gz PXLMMPJVKYKLIJ-DOMZBBRYSA-N 1 0 323.824 3.164 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000269007231 207161581 /nfs/dbraw/zinc/16/15/81/207161581.db2.gz LJMNUDUMIBCMRZ-IAQYHMDHSA-N 1 0 306.387 3.349 20 5 DGBDRO C[C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCCC1 ZINC000060390877 184147963 /nfs/dbraw/zinc/14/79/63/184147963.db2.gz DWXFUSPSHWURTJ-LBPRGKRZSA-N 1 0 311.813 3.070 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000063492994 184283537 /nfs/dbraw/zinc/28/35/37/184283537.db2.gz VGJABTCZSMZEME-UHFFFAOYSA-N 1 0 305.378 3.105 20 5 DGBDRO COc1ccccc1C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000194416044 252761535 /nfs/dbraw/zinc/76/15/35/252761535.db2.gz YORMLDBDGBZNIY-CQSZACIVSA-N 1 0 314.385 3.367 20 5 DGBDRO CC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1 ZINC000271440781 252832445 /nfs/dbraw/zinc/83/24/45/252832445.db2.gz DHCJDGYJRPPVIA-MRXNPFEDSA-N 1 0 318.417 3.322 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCCC1(C)C ZINC000119992369 195076728 /nfs/dbraw/zinc/07/67/28/195076728.db2.gz WUQYCKVRWSRHQM-HNNXBMFYSA-N 1 0 319.405 3.400 20 5 DGBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000249366967 285070107 /nfs/dbraw/zinc/07/01/07/285070107.db2.gz MRZFWGSUPHBNCO-IUODEOHRSA-N 1 0 319.405 3.094 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000336866744 253014061 /nfs/dbraw/zinc/01/40/61/253014061.db2.gz ODAGZWLEROGSJA-SWLSCSKDSA-N 1 0 314.341 3.085 20 5 DGBDRO Cc1nc2ccccn2c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000336871010 253014786 /nfs/dbraw/zinc/01/47/86/253014786.db2.gz DCRXVFXLVSMBOB-UHFFFAOYSA-N 1 0 310.357 3.149 20 5 DGBDRO C[C@@H]1CCC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000336999643 253033498 /nfs/dbraw/zinc/03/34/98/253033498.db2.gz RFOBTPGIPKQPHT-KGLIPLIRSA-N 1 0 319.405 3.434 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@H]2OC(F)F)cc1 ZINC000337300998 253081891 /nfs/dbraw/zinc/08/18/91/253081891.db2.gz PRIFOHXMXVYRAZ-QWHCGFSZSA-N 1 0 300.305 3.235 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)cc1 ZINC000337300997 253082156 /nfs/dbraw/zinc/08/21/56/253082156.db2.gz PRIFOHXMXVYRAZ-OLZOCXBDSA-N 1 0 300.305 3.235 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC[C@@H]2OC(F)F)cs1 ZINC000337238312 253067687 /nfs/dbraw/zinc/06/76/87/253067687.db2.gz AAXJORCSLRJWFN-UWVGGRQHSA-N 1 0 306.334 3.296 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337388507 253104034 /nfs/dbraw/zinc/10/40/34/253104034.db2.gz GOHFOTVSRUEFPK-YPMHNXCESA-N 1 0 300.305 3.235 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201235 285089873 /nfs/dbraw/zinc/08/98/73/285089873.db2.gz MQAWCFYIIXLLIC-CYBMUJFWSA-N 1 0 309.797 3.217 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000337481902 253124303 /nfs/dbraw/zinc/12/43/03/253124303.db2.gz WGVLMHLSNHGNPS-MJVIPROJSA-N 1 0 316.361 3.484 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC(F)F ZINC000337872651 253187588 /nfs/dbraw/zinc/18/75/88/253187588.db2.gz SBMBUJAHFUOIJZ-FLIBITNWSA-N 1 0 300.305 3.217 20 5 DGBDRO C[C@@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC000120182056 195113620 /nfs/dbraw/zinc/11/36/20/195113620.db2.gz FTIFVQMJWBJFEE-MRXNPFEDSA-N 1 0 302.330 3.123 20 5 DGBDRO C[C@H]([NH2+]CCCO[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000338289928 253258558 /nfs/dbraw/zinc/25/85/58/253258558.db2.gz PPLRWOIEDKQGJI-BBRMVZONSA-N 1 0 308.378 3.179 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338728664 253342915 /nfs/dbraw/zinc/34/29/15/253342915.db2.gz ZSIUDVHDEGTNNH-XJKSGUPXSA-N 1 0 300.362 3.189 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1NCCCCC[NH+]1CCCC1 ZINC000338753286 253345733 /nfs/dbraw/zinc/34/57/33/253345733.db2.gz BVEJNYKOTDWBGH-UHFFFAOYSA-N 1 0 312.801 3.321 20 5 DGBDRO CC[C@@H]([NH2+]CCCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000158334253 197263809 /nfs/dbraw/zinc/26/38/09/197263809.db2.gz KIHAALWATXFPPS-MRXNPFEDSA-N 1 0 302.378 3.002 20 5 DGBDRO CCC[C@H]([NH2+]CCCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000158300993 197260968 /nfs/dbraw/zinc/26/09/68/197260968.db2.gz XVPLFAJSIWYOTJ-KRWDZBQOSA-N 1 0 316.405 3.392 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000336860277 285153245 /nfs/dbraw/zinc/15/32/45/285153245.db2.gz PKHFOFZJNCERQB-DJSGYFEHSA-N 1 0 324.808 3.374 20 5 DGBDRO CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000158186849 197251258 /nfs/dbraw/zinc/25/12/58/197251258.db2.gz XBIKEJDUHWNPFI-AEFFLSMTSA-N 1 0 314.385 3.239 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000158041038 197238679 /nfs/dbraw/zinc/23/86/79/197238679.db2.gz ARYTWKAZOLBTPS-LRDDRELGSA-N 1 0 324.421 3.441 20 5 DGBDRO O=[N+]([O-])c1ccccc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000247299207 285162756 /nfs/dbraw/zinc/16/27/56/285162756.db2.gz DRSUQHBKTZEFCN-UHFFFAOYSA-N 1 0 311.385 3.307 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCCO1)C1CC1 ZINC000156388136 285161519 /nfs/dbraw/zinc/16/15/19/285161519.db2.gz PDKFIAJEQPIITC-JKSUJKDBSA-N 1 0 304.390 3.075 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)C1CC1 ZINC000160465702 285161884 /nfs/dbraw/zinc/16/18/84/285161884.db2.gz VDUZXAIRCXCBAF-RYRKJORJSA-N 1 0 318.417 3.057 20 5 DGBDRO CC(C)(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000157753617 197212921 /nfs/dbraw/zinc/21/29/21/197212921.db2.gz XMDDZNKBXPXZRE-HNNXBMFYSA-N 1 0 302.378 3.168 20 5 DGBDRO CC[C@@H](C)[NH2+][C@H](CNc1ncccc1[N+](=O)[O-])c1ccco1 ZINC000343245828 254119518 /nfs/dbraw/zinc/11/95/18/254119518.db2.gz CRKMRSHHWPIVDD-VXGBXAGGSA-N 1 0 304.350 3.124 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343678206 254176763 /nfs/dbraw/zinc/17/67/63/254176763.db2.gz COQBDVUROZYMMC-STQMWFEESA-N 1 0 307.394 3.290 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344090861 254224336 /nfs/dbraw/zinc/22/43/36/254224336.db2.gz JIKAQGWPQAUWPS-TZMCWYRMSA-N 1 0 317.389 3.044 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccc(F)c(F)c2F)cs1 ZINC000344304624 254254159 /nfs/dbraw/zinc/25/41/59/254254159.db2.gz OLOOKMRZOKFBFZ-UHFFFAOYSA-N 1 0 316.304 3.406 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000344376580 254263699 /nfs/dbraw/zinc/26/36/99/254263699.db2.gz YBUBEEPKRVRMKH-WMHVBEDNSA-N 1 0 316.332 3.070 20 5 DGBDRO C[C@@](O)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000344402744 254267096 /nfs/dbraw/zinc/26/70/96/254267096.db2.gz AVWUMFAKWXYNKS-QGZVFWFLSA-N 1 0 316.357 3.105 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000271411387 208892460 /nfs/dbraw/zinc/89/24/60/208892460.db2.gz ABNHKYAGQNWHIG-LRDDRELGSA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000344419799 254269041 /nfs/dbraw/zinc/26/90/41/254269041.db2.gz NNSJHCRAFTUBAQ-OAHLLOKOSA-N 1 0 318.421 3.082 20 5 DGBDRO CC(C)(C)OC(=O)CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344711753 254298931 /nfs/dbraw/zinc/29/89/31/254298931.db2.gz IFZWYIUNDHIRGU-TWGQIWQCSA-N 1 0 320.389 3.320 20 5 DGBDRO Cc1ccc(C[NH2+]CCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000344735587 254300947 /nfs/dbraw/zinc/30/09/47/254300947.db2.gz BCFBEGGBFWJRKB-UHFFFAOYSA-N 1 0 308.378 3.115 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(CCO)CCCC1 ZINC000344736823 254301243 /nfs/dbraw/zinc/30/12/43/254301243.db2.gz CRXNQIARZAINHX-ALCCZGGFSA-N 1 0 304.390 3.140 20 5 DGBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000344773709 254304302 /nfs/dbraw/zinc/30/43/02/254304302.db2.gz LHWQGBVGYMLDQU-UHFFFAOYSA-N 1 0 308.378 3.115 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000430200897 533136944 /nfs/dbraw/zinc/13/69/44/533136944.db2.gz IFWHHNIQSJGWHV-WBVHZDCISA-N 1 0 322.405 3.287 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156473522 197115932 /nfs/dbraw/zinc/11/59/32/197115932.db2.gz JKVGQHSLTMAJRD-KEYYUXOJSA-N 1 0 314.389 3.435 20 5 DGBDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000294690422 224169890 /nfs/dbraw/zinc/16/98/90/224169890.db2.gz BRFNBIPZGVQQKC-CYBMUJFWSA-N 1 0 318.373 3.353 20 5 DGBDRO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000120492836 195177546 /nfs/dbraw/zinc/17/75/46/195177546.db2.gz MRLPDIJQGFZFNB-FRRDWIJNSA-N 1 0 305.378 3.103 20 5 DGBDRO Cc1c([C@H](C)[NH2+]Cc2ccccc2CO)cccc1[N+](=O)[O-] ZINC000305126367 285291315 /nfs/dbraw/zinc/29/13/15/285291315.db2.gz LHZOFORJGYFWAL-ZDUSSCGKSA-N 1 0 300.358 3.246 20 5 DGBDRO Cc1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)[nH]n1 ZINC000271611251 209057931 /nfs/dbraw/zinc/05/79/31/209057931.db2.gz KGODBJLBFDRJGI-UHFFFAOYSA-N 1 0 300.362 3.006 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000323004218 533219260 /nfs/dbraw/zinc/21/92/60/533219260.db2.gz VFMKWMXMCSUYKE-UKRRQHHQSA-N 1 0 322.405 3.119 20 5 DGBDRO CCC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000120932694 195266166 /nfs/dbraw/zinc/26/61/66/195266166.db2.gz UFBCFJVOUYXYHC-CYBMUJFWSA-N 1 0 320.389 3.473 20 5 DGBDRO Cc1c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289640705 221122733 /nfs/dbraw/zinc/12/27/33/221122733.db2.gz FPSCPIVXNWOSHF-JKSUJKDBSA-N 1 0 304.390 3.293 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289661892 221136640 /nfs/dbraw/zinc/13/66/40/221136640.db2.gz UJQJMLCJZHETET-IRXDYDNUSA-N 1 0 316.401 3.171 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCC[C@H]1O ZINC000289712922 221173042 /nfs/dbraw/zinc/17/30/42/221173042.db2.gz OYPWAXYIYCJHCW-HZPDHXFCSA-N 1 0 316.357 3.200 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)C(C)(C)O)cc1[N+](=O)[O-] ZINC000294909080 224303114 /nfs/dbraw/zinc/30/31/14/224303114.db2.gz GCVLRYYNWJKTIM-XHDPSFHLSA-N 1 0 310.394 3.194 20 5 DGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC(C)(C)C1 ZINC000289798671 221233161 /nfs/dbraw/zinc/23/31/61/221233161.db2.gz MUJZIRQFZRCTDX-INIZCTEOSA-N 1 0 306.406 3.417 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271620877 209065976 /nfs/dbraw/zinc/06/59/76/209065976.db2.gz DCGKBXHYPGLJQF-CXAGYDPISA-N 1 0 300.358 3.287 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000470210210 533380053 /nfs/dbraw/zinc/38/00/53/533380053.db2.gz AFGQMWHBZMMULZ-FHYOKYKPSA-N 1 0 318.417 3.481 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000470179195 533383481 /nfs/dbraw/zinc/38/34/81/533383481.db2.gz UDCDELSQIFBUJQ-YLHGKKIISA-N 1 0 304.390 3.497 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000468603218 533385143 /nfs/dbraw/zinc/38/51/43/533385143.db2.gz RQTOBCAUEZMDDH-GYOLVPGYSA-N 1 0 302.374 3.155 20 5 DGBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000272229673 130010699 /nfs/dbraw/zinc/01/06/99/130010699.db2.gz JPKHTZJPSXBVNF-ZFWWWQNUSA-N 1 0 319.408 3.197 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000356740541 285468677 /nfs/dbraw/zinc/46/86/77/285468677.db2.gz QKXDMVBDDASEJS-CQSZACIVSA-N 1 0 320.368 3.344 20 5 DGBDRO CCn1ccc(C[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000616135082 400088145 /nfs/dbraw/zinc/08/81/45/400088145.db2.gz KLZLKLTXVGUMMN-UHFFFAOYSA-N 1 0 303.362 3.057 20 5 DGBDRO COCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000595050041 400089668 /nfs/dbraw/zinc/08/96/68/400089668.db2.gz FCYLKTWCGSDYRS-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)OCC1CC1 ZINC000595052040 400090372 /nfs/dbraw/zinc/09/03/72/400090372.db2.gz QDJPVXTYMBBGBB-LBPRGKRZSA-N 1 0 322.405 3.459 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000595067382 400097158 /nfs/dbraw/zinc/09/71/58/400097158.db2.gz HGEHRBLSUUFAEC-WSVFGFOBSA-N 1 0 324.446 3.244 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595075559 400100644 /nfs/dbraw/zinc/10/06/44/400100644.db2.gz YWXORDBHDBDHEA-VFPDKUSMSA-N 1 0 324.446 3.325 20 5 DGBDRO CC1(C)C[C@H]([NH2+]C[C@@H](CO)CC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000595087757 400101722 /nfs/dbraw/zinc/10/17/22/400101722.db2.gz CUCMAUXMIJYPBZ-GUYCJALGSA-N 1 0 318.417 3.315 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)CC1CC1)CCCC2 ZINC000595089403 400102488 /nfs/dbraw/zinc/10/24/88/400102488.db2.gz OFGQXHFUVIPMAP-KDOFPFPSSA-N 1 0 318.417 3.361 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCc1ccco1 ZINC000595092974 400104182 /nfs/dbraw/zinc/10/41/82/400104182.db2.gz CBLJTDJKAMKQDK-LBPRGKRZSA-N 1 0 304.346 3.480 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1=CCCC1 ZINC000595096285 400105502 /nfs/dbraw/zinc/10/55/02/400105502.db2.gz IUZVWXQDLTXKSW-GFCCVEGCSA-N 1 0 303.362 3.012 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@]1(C)CC1(C)C ZINC000595102125 400106434 /nfs/dbraw/zinc/10/64/34/400106434.db2.gz KAQRGRXGZYJVFA-BDJLRTHQSA-N 1 0 305.378 3.090 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000595025104 400080883 /nfs/dbraw/zinc/08/08/83/400080883.db2.gz GIZIYLCEWRNHSH-TZMCWYRMSA-N 1 0 300.362 3.285 20 5 DGBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000090891722 400082528 /nfs/dbraw/zinc/08/25/28/400082528.db2.gz DRMYONHVMQRPPX-SJKOYZFVSA-N 1 0 318.348 3.292 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000595034551 400083603 /nfs/dbraw/zinc/08/36/03/400083603.db2.gz XWCUXFBOUOTDCL-MELADBBJSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000595034875 400083682 /nfs/dbraw/zinc/08/36/82/400083682.db2.gz YXUYQEWNGCTZHB-ABAIWWIYSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000595034550 400083694 /nfs/dbraw/zinc/08/36/94/400083694.db2.gz XWCUXFBOUOTDCL-IHRRRGAJSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000595033704 400084138 /nfs/dbraw/zinc/08/41/38/400084138.db2.gz SEGHUPSMVJJFSP-GFCCVEGCSA-N 1 0 312.369 3.421 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(OC)CCCC1 ZINC000595037357 400084687 /nfs/dbraw/zinc/08/46/87/400084687.db2.gz FRQIJWNWDATJHD-LBPRGKRZSA-N 1 0 308.378 3.213 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000595039659 400084933 /nfs/dbraw/zinc/08/49/33/400084933.db2.gz UZFYCAIEUCLHTO-BDJLRTHQSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(OC)CCCC1 ZINC000595037356 400084968 /nfs/dbraw/zinc/08/49/68/400084968.db2.gz FRQIJWNWDATJHD-GFCCVEGCSA-N 1 0 308.378 3.213 20 5 DGBDRO CC(C)[NH+](CCNc1ncnc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000321669221 400171550 /nfs/dbraw/zinc/17/15/50/400171550.db2.gz UYHMZVBYXCRLCS-UHFFFAOYSA-N 1 0 317.393 3.069 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000595511712 400173573 /nfs/dbraw/zinc/17/35/73/400173573.db2.gz KMLMWZOCEIUNSX-CFVMTHIKSA-N 1 0 308.353 3.027 20 5 DGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000609560991 400176038 /nfs/dbraw/zinc/17/60/38/400176038.db2.gz OWECBZVCAGWNQL-ZDUSSCGKSA-N 1 0 314.389 3.110 20 5 DGBDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609571520 400176597 /nfs/dbraw/zinc/17/65/97/400176597.db2.gz MBNSLDSBXZFBQF-QGZVFWFLSA-N 1 0 318.373 3.496 20 5 DGBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595324834 400126816 /nfs/dbraw/zinc/12/68/16/400126816.db2.gz HPYYDBHQMFSZRU-CQSZACIVSA-N 1 0 303.362 3.344 20 5 DGBDRO CCC[NH+]1CCC(N(C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595348236 400132093 /nfs/dbraw/zinc/13/20/93/400132093.db2.gz QDVKBYKPXIGHMT-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO CO[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCC1 ZINC000595411813 400142997 /nfs/dbraw/zinc/14/29/97/400142997.db2.gz NNFFYHUULMGQKX-QGZVFWFLSA-N 1 0 304.390 3.374 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCCC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000595419817 400144494 /nfs/dbraw/zinc/14/44/94/400144494.db2.gz LVXWHMKRULVKGW-CQSZACIVSA-N 1 0 321.421 3.106 20 5 DGBDRO C[C@H](C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nccs1 ZINC000595423634 400145274 /nfs/dbraw/zinc/14/52/74/400145274.db2.gz FHDJGPNOKTUYAQ-SNVBAGLBSA-N 1 0 309.366 3.426 20 5 DGBDRO CC(C)[NH2+]Cc1cccc(-c2cc([N+](=O)[O-])ccc2CO)c1 ZINC000600781631 400152282 /nfs/dbraw/zinc/15/22/82/400152282.db2.gz GAPYBXYBHVIBSR-UHFFFAOYSA-N 1 0 300.358 3.252 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595442834 400152397 /nfs/dbraw/zinc/15/23/97/400152397.db2.gz WUNBCFGCQTZKCY-GOEBONIOSA-N 1 0 310.369 3.417 20 5 DGBDRO C[C@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000317363092 400154466 /nfs/dbraw/zinc/15/44/66/400154466.db2.gz CETDXUJMHPJEDT-CQSZACIVSA-N 1 0 300.358 3.367 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1-c1ccc([C@H]2COCC[NH2+]2)cc1 ZINC000600791391 400157225 /nfs/dbraw/zinc/15/72/25/400157225.db2.gz ZNARZTOCMZTMLP-OAHLLOKOSA-N 1 0 302.305 3.062 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000318752361 400158372 /nfs/dbraw/zinc/15/83/72/400158372.db2.gz LWXXTUMGVSCWSX-AWEZNQCLSA-N 1 0 305.378 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCc3sccc3C2)cc1 ZINC000609322916 400159960 /nfs/dbraw/zinc/15/99/60/400159960.db2.gz NQEJVHRJAJTSDG-UHFFFAOYSA-N 1 0 318.398 3.484 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595687490 400227268 /nfs/dbraw/zinc/22/72/68/400227268.db2.gz AUYZTVGMCQAPAE-RRQGHBQHSA-N 1 0 304.390 3.323 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000588933704 400247990 /nfs/dbraw/zinc/24/79/90/400247990.db2.gz UUQGBMVLZLBMCT-LBPRGKRZSA-N 1 0 313.829 3.458 20 5 DGBDRO CCCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000026450453 400257144 /nfs/dbraw/zinc/25/71/44/400257144.db2.gz GYBKKVQNVSAHPX-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO CCC(CC)[N@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000588977335 400252689 /nfs/dbraw/zinc/25/26/89/400252689.db2.gz VFEHEPVHKUSSJT-UHFFFAOYSA-N 1 0 323.393 3.052 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000026161233 400253843 /nfs/dbraw/zinc/25/38/43/400253843.db2.gz SVGYXQXSMCTIBY-STQMWFEESA-N 1 0 319.405 3.210 20 5 DGBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000609890899 400199109 /nfs/dbraw/zinc/19/91/09/400199109.db2.gz BEMZRLTUWRXULW-ZDUSSCGKSA-N 1 0 314.817 3.422 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](CO)C2)s1 ZINC000092763809 400202874 /nfs/dbraw/zinc/20/28/74/400202874.db2.gz KYBMRXTZEMLAKC-LBPRGKRZSA-N 1 0 318.398 3.138 20 5 DGBDRO CCC(C)(C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595642762 400216188 /nfs/dbraw/zinc/21/61/88/400216188.db2.gz SVAJFELJNRQGNA-GFCCVEGCSA-N 1 0 307.394 3.338 20 5 DGBDRO Cc1c(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000610161313 400217461 /nfs/dbraw/zinc/21/74/61/400217461.db2.gz IEBZTPYLTOLWIU-CQSZACIVSA-N 1 0 314.385 3.286 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCCC2=O)CC1 ZINC000595806202 400265386 /nfs/dbraw/zinc/26/53/86/400265386.db2.gz JLJDMXFFNQJWSP-ZDUSSCGKSA-N 1 0 302.374 3.491 20 5 DGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(O)c1 ZINC000610504460 400266231 /nfs/dbraw/zinc/26/62/31/400266231.db2.gz DWBUSJLINMQRRL-UHFFFAOYSA-N 1 0 316.357 3.201 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000027133116 400266938 /nfs/dbraw/zinc/26/69/38/400266938.db2.gz MWEYLHNQIXTRPQ-LBPRGKRZSA-N 1 0 307.394 3.208 20 5 DGBDRO C[C@@H]([N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000027133710 400267291 /nfs/dbraw/zinc/26/72/91/400267291.db2.gz NZKSPXGRMGXHPO-LLVKDONJSA-N 1 0 308.378 3.328 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595819073 400269237 /nfs/dbraw/zinc/26/92/37/400269237.db2.gz LZWJACBFQZSOMI-IYXRBSQSSA-N 1 0 310.369 3.480 20 5 DGBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595819072 400269426 /nfs/dbraw/zinc/26/94/26/400269426.db2.gz LZWJACBFQZSOMI-HSBZDZAISA-N 1 0 310.369 3.480 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595820270 400269842 /nfs/dbraw/zinc/26/98/42/400269842.db2.gz UIWFABYTFGNBEC-PNESKVBLSA-N 1 0 323.368 3.040 20 5 DGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589188719 400272147 /nfs/dbraw/zinc/27/21/47/400272147.db2.gz HXMJKLQFKXFNBD-LHYFVSQWSA-N 1 0 315.417 3.167 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CC(C)C)CC1 ZINC000595829949 400272368 /nfs/dbraw/zinc/27/23/68/400272368.db2.gz BHIBAIZCIUEHGP-UHFFFAOYSA-N 1 0 305.378 3.010 20 5 DGBDRO CC(C)CC1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000595835028 400276362 /nfs/dbraw/zinc/27/63/62/400276362.db2.gz RCZYUASXNJXWAY-UHFFFAOYSA-N 1 0 316.361 3.313 20 5 DGBDRO O=C(C[N@@H+]1CCC[C@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595838270 400277170 /nfs/dbraw/zinc/27/71/70/400277170.db2.gz UQWZNZRJXKFZGJ-AWEZNQCLSA-N 1 0 317.389 3.045 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595857623 400282444 /nfs/dbraw/zinc/28/24/44/400282444.db2.gz MGAHOJYMRSVEAT-FXYBZAJKSA-N 1 0 317.389 3.185 20 5 DGBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000589276244 400283478 /nfs/dbraw/zinc/28/34/78/400283478.db2.gz RCMZRCBTXXNAFZ-LBPRGKRZSA-N 1 0 314.332 3.341 20 5 DGBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000595867031 400284285 /nfs/dbraw/zinc/28/42/85/400284285.db2.gz JNVNNUOYUAOZCZ-UONOGXRCSA-N 1 0 319.405 3.495 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000589321981 400288487 /nfs/dbraw/zinc/28/84/87/400288487.db2.gz UUQGBMVLZLBMCT-GFCCVEGCSA-N 1 0 313.829 3.458 20 5 DGBDRO [NH3+]C[C@@H]1CCc2ccccc2N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595902636 400290930 /nfs/dbraw/zinc/29/09/30/400290930.db2.gz BYSNZOUWNLWHQB-ZDUSSCGKSA-N 1 0 315.348 3.014 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CC1(C)C ZINC000595911571 400293628 /nfs/dbraw/zinc/29/36/28/400293628.db2.gz YPOHALAAYJWWOX-CYBMUJFWSA-N 1 0 319.405 3.210 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000610782650 400304899 /nfs/dbraw/zinc/30/48/99/400304899.db2.gz DASJACYVPPKUMZ-UHFFFAOYSA-N 1 0 316.405 3.355 20 5 DGBDRO Cc1cc(N[C@@H](C)C[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589584737 400305726 /nfs/dbraw/zinc/30/57/26/400305726.db2.gz OECQLCLGVOYLOM-AAEUAGOBSA-N 1 0 315.373 3.100 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCOCCF)s1 ZINC000596057464 400306558 /nfs/dbraw/zinc/30/65/58/400306558.db2.gz RYUQFJHZWCPNLQ-UHFFFAOYSA-N 1 0 324.377 3.399 20 5 DGBDRO CCC(CC)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596070136 400309016 /nfs/dbraw/zinc/30/90/16/400309016.db2.gz OBUGWDBOWLAYJZ-AWEZNQCLSA-N 1 0 322.409 3.008 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000069142584 400313348 /nfs/dbraw/zinc/31/33/48/400313348.db2.gz UWOIRVWLUTUAOE-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO COc1cc(N[C@@H](C)CC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596099095 400318136 /nfs/dbraw/zinc/31/81/36/400318136.db2.gz QKYZRRMNSFKYEK-VIFPVBQESA-N 1 0 301.774 3.009 20 5 DGBDRO C[NH2+]C[C@@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596106365 400318382 /nfs/dbraw/zinc/31/83/82/400318382.db2.gz PKGWXERKYDJJJN-LLVKDONJSA-N 1 0 305.403 3.021 20 5 DGBDRO C[NH2+]C[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000596108758 400320027 /nfs/dbraw/zinc/32/00/27/400320027.db2.gz XTYDREKLYZXMAA-LLVKDONJSA-N 1 0 305.403 3.021 20 5 DGBDRO CC(C)[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000030148704 400321385 /nfs/dbraw/zinc/32/13/85/400321385.db2.gz GYLZRCBASUVIFY-JTQLQIEISA-N 1 0 313.785 3.163 20 5 DGBDRO CSCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113313338 400378821 /nfs/dbraw/zinc/37/88/21/400378821.db2.gz AECBRCLMXICTLR-UHFFFAOYSA-N 1 0 309.416 3.171 20 5 DGBDRO CCOc1cc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596334563 400383424 /nfs/dbraw/zinc/38/34/24/400383424.db2.gz CGOHSBZBDKPHDO-CYBMUJFWSA-N 1 0 307.394 3.278 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000596336640 400384660 /nfs/dbraw/zinc/38/46/60/400384660.db2.gz QYFPXXYMMOYQPM-LBPRGKRZSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000072520426 400385485 /nfs/dbraw/zinc/38/54/85/400385485.db2.gz FVEPBOOFUFHHEM-MRXNPFEDSA-N 1 0 312.373 3.239 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000589949723 400341814 /nfs/dbraw/zinc/34/18/14/400341814.db2.gz KQEBNMZEJGVELT-NDMJEZRESA-N 1 0 318.295 3.091 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000072608910 400392858 /nfs/dbraw/zinc/39/28/58/400392858.db2.gz COTNGBATEMXFMN-OAHLLOKOSA-N 1 0 319.405 3.352 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000590123482 400358584 /nfs/dbraw/zinc/35/85/84/400358584.db2.gz YQAPMNLCPBTLNG-AWEZNQCLSA-N 1 0 310.781 3.128 20 5 DGBDRO O=[N+]([O-])c1ccsc1N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000596253137 400361535 /nfs/dbraw/zinc/36/15/35/400361535.db2.gz XGEJGTPTNKQILZ-UHFFFAOYSA-N 1 0 317.414 3.415 20 5 DGBDRO CC(C)CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000611254272 400365118 /nfs/dbraw/zinc/36/51/18/400365118.db2.gz LBHCKXPVRCNOOO-UHFFFAOYSA-N 1 0 320.389 3.377 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000611268080 400370084 /nfs/dbraw/zinc/37/00/84/400370084.db2.gz FTDLCLLBQHVGJB-WUTVXBCWSA-N 1 0 312.373 3.142 20 5 DGBDRO CC(C)C1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611274054 400370764 /nfs/dbraw/zinc/37/07/64/400370764.db2.gz JJDFORVJTCONIE-UHFFFAOYSA-N 1 0 320.389 3.234 20 5 DGBDRO CC[C@H](C)C[N@H+](CC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276015 400372635 /nfs/dbraw/zinc/37/26/35/400372635.db2.gz UJRZTMMLUMEJDJ-LBPRGKRZSA-N 1 0 308.378 3.234 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CCO)CCCC1 ZINC000072925728 400415022 /nfs/dbraw/zinc/41/50/22/400415022.db2.gz VRFDEHMZKVVBCI-UHFFFAOYSA-N 1 0 322.405 3.026 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000611411772 400396320 /nfs/dbraw/zinc/39/63/20/400396320.db2.gz MRMXGKQXXLSBBT-XQQFMLRXSA-N 1 0 309.435 3.498 20 5 DGBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000590568682 400397135 /nfs/dbraw/zinc/39/71/35/400397135.db2.gz JEWSXQQXZHGXNY-BXKDBHETSA-N 1 0 317.311 3.142 20 5 DGBDRO CC(=O)c1ccc(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000072751766 400401853 /nfs/dbraw/zinc/40/18/53/400401853.db2.gz BSHVFNPRHQDUHD-UHFFFAOYSA-N 1 0 305.378 3.085 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1cocn1 ZINC000611473898 400408191 /nfs/dbraw/zinc/40/81/91/400408191.db2.gz BJIPQSPJZLLKMA-IUODEOHRSA-N 1 0 301.346 3.084 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000590646745 400408852 /nfs/dbraw/zinc/40/88/52/400408852.db2.gz CUPSZQLCUJHLST-WDMSFCARSA-N 1 0 304.390 3.139 20 5 DGBDRO CCC(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000602290002 400435257 /nfs/dbraw/zinc/43/52/57/400435257.db2.gz SBCIRPCFXSJSCT-OAHLLOKOSA-N 1 0 322.409 3.083 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1CCCCCC1 ZINC000073158392 400435485 /nfs/dbraw/zinc/43/54/85/400435485.db2.gz AEGXCVYBAKKMRJ-UHFFFAOYSA-N 1 0 319.405 3.496 20 5 DGBDRO C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611583544 400426917 /nfs/dbraw/zinc/42/69/17/400426917.db2.gz MZZKANLJLYRKRQ-OLZOCXBDSA-N 1 0 304.394 3.055 20 5 DGBDRO Cc1ccc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC000590754985 400428607 /nfs/dbraw/zinc/42/86/07/400428607.db2.gz YDDXKGGQSNOLNN-UHFFFAOYSA-N 1 0 315.373 3.199 20 5 DGBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756397 400428726 /nfs/dbraw/zinc/42/87/26/400428726.db2.gz UPRBOWONAZAKFF-XJKSGUPXSA-N 1 0 319.361 3.029 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCSC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000590758751 400429780 /nfs/dbraw/zinc/42/97/80/400429780.db2.gz QNUZMSOKNADBEM-OAHLLOKOSA-N 1 0 322.430 3.321 20 5 DGBDRO COc1cccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570028 400446776 /nfs/dbraw/zinc/44/67/76/400446776.db2.gz HEKRDQSKDGWFDV-AWEZNQCLSA-N 1 0 319.405 3.137 20 5 DGBDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602571681 400500682 /nfs/dbraw/zinc/50/06/82/400500682.db2.gz BREGYNTXGDODGG-JTQLQIEISA-N 1 0 320.311 3.112 20 5 DGBDRO Cc1nc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)sc1C ZINC000602574866 400501502 /nfs/dbraw/zinc/50/15/02/400501502.db2.gz FSJULFSODUPLOU-UHFFFAOYSA-N 1 0 305.403 3.043 20 5 DGBDRO CSc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000602599170 400508399 /nfs/dbraw/zinc/50/83/99/400508399.db2.gz FRPYIAUOVXLUMS-UHFFFAOYSA-N 1 0 303.387 3.044 20 5 DGBDRO Cc1ccncc1[C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000611939725 400466518 /nfs/dbraw/zinc/46/65/18/400466518.db2.gz LWDXIRHCQHGHBI-CYBMUJFWSA-N 1 0 301.346 3.028 20 5 DGBDRO COc1cc(-c2cc(C[NH+](C)C)ccc2F)cc([N+](=O)[O-])c1 ZINC000596641830 400468964 /nfs/dbraw/zinc/46/89/64/400468964.db2.gz XTSXZTMMDYJZBB-UHFFFAOYSA-N 1 0 304.321 3.471 20 5 DGBDRO COC1CCC(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602612056 400511716 /nfs/dbraw/zinc/51/17/16/400511716.db2.gz FXSIGWSDNWPHCP-UHFFFAOYSA-N 1 0 306.406 3.322 20 5 DGBDRO CCOCCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602500593 400480643 /nfs/dbraw/zinc/48/06/43/400480643.db2.gz BHAHXYOHXNZBIY-UHFFFAOYSA-N 1 0 306.284 3.130 20 5 DGBDRO COc1ccc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000612586707 400569963 /nfs/dbraw/zinc/56/99/63/400569963.db2.gz GHYXFMPTBZUPAD-ALCCZGGFSA-N 1 0 313.357 3.144 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133491907 400570784 /nfs/dbraw/zinc/57/07/84/400570784.db2.gz FPJIIUFXQUUNPF-RYUDHWBXSA-N 1 0 312.373 3.180 20 5 DGBDRO C[C@@H]1[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000612596488 400572168 /nfs/dbraw/zinc/57/21/68/400572168.db2.gz ZLMZRHIOFQPGFB-VOKGJARPSA-N 1 0 316.401 3.499 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc(F)c(F)c2)cc1 ZINC000602630259 400517808 /nfs/dbraw/zinc/51/78/08/400517808.db2.gz ODBHNZJVJPHSSV-UHFFFAOYSA-N 1 0 306.312 3.248 20 5 DGBDRO Cc1cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591441723 400526203 /nfs/dbraw/zinc/52/62/03/400526203.db2.gz FUDLKAXCFQGOQI-HUUCEWRRSA-N 1 0 303.406 3.119 20 5 DGBDRO Cc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000074743838 400532329 /nfs/dbraw/zinc/53/23/29/400532329.db2.gz CYQNNKMZAZHKKW-MRXNPFEDSA-N 1 0 314.389 3.321 20 5 DGBDRO C[C@H](CCCO)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602671994 400533022 /nfs/dbraw/zinc/53/30/22/400533022.db2.gz BGSYKUAMXCPGGZ-SNVBAGLBSA-N 1 0 320.311 3.112 20 5 DGBDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602671993 400533057 /nfs/dbraw/zinc/53/30/57/400533057.db2.gz BGSYKUAMXCPGGZ-JTQLQIEISA-N 1 0 320.311 3.112 20 5 DGBDRO CCC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])COC1 ZINC000602684561 400538462 /nfs/dbraw/zinc/53/84/62/400538462.db2.gz OUYPOGVJFTVNOU-UHFFFAOYSA-N 1 0 318.295 3.130 20 5 DGBDRO CC(C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OCC1CC1 ZINC000602691839 400540498 /nfs/dbraw/zinc/54/04/98/400540498.db2.gz UGBCLCYQSVQUAC-UHFFFAOYSA-N 1 0 319.361 3.031 20 5 DGBDRO C[C@H]([NH3+])c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000591687337 400551519 /nfs/dbraw/zinc/55/15/19/400551519.db2.gz CVXQITVYHLHBNJ-LBPRGKRZSA-N 1 0 302.330 3.072 20 5 DGBDRO Cc1c(C[NH2+][C@@](C)(CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000133009829 400565763 /nfs/dbraw/zinc/56/57/63/400565763.db2.gz LUMPHBSAGIJDRE-KRWDZBQOSA-N 1 0 306.406 3.324 20 5 DGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000602763573 400566032 /nfs/dbraw/zinc/56/60/32/400566032.db2.gz MDZKRXJCPDNTKP-LBPRGKRZSA-N 1 0 320.368 3.322 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000046502124 400566709 /nfs/dbraw/zinc/56/67/09/400566709.db2.gz QLRXXAHFRYSRRI-ZDUSSCGKSA-N 1 0 316.361 3.409 20 5 DGBDRO CCCC[N@H+](CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000046514095 400568279 /nfs/dbraw/zinc/56/82/79/400568279.db2.gz UGGIFCHHOVWOMD-UHFFFAOYSA-N 1 0 304.350 3.267 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000602768189 400569021 /nfs/dbraw/zinc/56/90/21/400569021.db2.gz XMSWUZFXONQIIO-MRXNPFEDSA-N 1 0 314.389 3.245 20 5 DGBDRO C[C@@H]1CC2(C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-])CCOCC2 ZINC000592181942 400619663 /nfs/dbraw/zinc/61/96/63/400619663.db2.gz JUKVWJKCIJBWGN-GFCCVEGCSA-N 1 0 308.353 3.125 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000602850979 400589168 /nfs/dbraw/zinc/58/91/68/400589168.db2.gz JFBFAIMCKDKZNC-UHFFFAOYSA-N 1 0 320.780 3.032 20 5 DGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000597231217 400593867 /nfs/dbraw/zinc/59/38/67/400593867.db2.gz OIGSBTRFBSEDIW-LSDHHAIUSA-N 1 0 304.390 3.187 20 5 DGBDRO C[C@H](O)C1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000597234190 400594989 /nfs/dbraw/zinc/59/49/89/400594989.db2.gz HWTASXMDTBHQIN-NSHDSACASA-N 1 0 318.398 3.326 20 5 DGBDRO CC[N@H+](C)Cc1cccc(CNc2ncccc2[N+](=O)[O-])c1 ZINC000138677671 400599978 /nfs/dbraw/zinc/59/99/78/400599978.db2.gz FTCYNUGKFRTRBZ-UHFFFAOYSA-N 1 0 300.362 3.054 20 5 DGBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000075669576 400603249 /nfs/dbraw/zinc/60/32/49/400603249.db2.gz RXNRAKNAWBJGLM-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DGBDRO CSC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602921383 400607879 /nfs/dbraw/zinc/60/78/79/400607879.db2.gz ITTXMRUKAGUXLF-UHFFFAOYSA-N 1 0 310.419 3.191 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CO1 ZINC000592378997 400641937 /nfs/dbraw/zinc/64/19/37/400641937.db2.gz JPJNYYILRJPZPU-DGCLKSJQSA-N 1 0 302.330 3.122 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000592140109 400612721 /nfs/dbraw/zinc/61/27/21/400612721.db2.gz BZEAEBIPNIJMBG-CYBMUJFWSA-N 1 0 301.321 3.118 20 5 DGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000592396759 400645554 /nfs/dbraw/zinc/64/55/54/400645554.db2.gz KAIBRMARXLVXIK-RVSPLBMKSA-N 1 0 306.406 3.359 20 5 DGBDRO C[C@@H]1CC2(C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592527227 400665266 /nfs/dbraw/zinc/66/52/66/400665266.db2.gz MTLOLJCUCSICCC-ZDTYVGOBSA-N 1 0 316.401 3.499 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000153547147 400687822 /nfs/dbraw/zinc/68/78/22/400687822.db2.gz FUEBVIBPGFNIRS-UHFFFAOYSA-N 1 0 317.345 3.039 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000157690099 400718528 /nfs/dbraw/zinc/71/85/28/400718528.db2.gz USRHMYBCZQTPBJ-CJNGLKHVSA-N 1 0 303.406 3.038 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157756540 400719868 /nfs/dbraw/zinc/71/98/68/400719868.db2.gz WRHQHAXEFWEVBP-RDJZCZTQSA-N 1 0 303.406 3.120 20 5 DGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000157711946 400720257 /nfs/dbraw/zinc/72/02/57/400720257.db2.gz JVZFLSIZQPVQHG-HIFRSBDPSA-N 1 0 303.406 3.038 20 5 DGBDRO CCc1ccc([C@@H](CNc2cccnc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000603839141 400720547 /nfs/dbraw/zinc/72/05/47/400720547.db2.gz WNBPZTNECXEVHR-MRXNPFEDSA-N 1 0 314.389 3.267 20 5 DGBDRO Cc1nccc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000603834189 400720626 /nfs/dbraw/zinc/72/06/26/400720626.db2.gz KOBGMWXSIYZCOJ-HNNXBMFYSA-N 1 0 312.373 3.073 20 5 DGBDRO CCc1ccc([C@H](CNc2cccnc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000603839140 400720752 /nfs/dbraw/zinc/72/07/52/400720752.db2.gz WNBPZTNECXEVHR-INIZCTEOSA-N 1 0 314.389 3.267 20 5 DGBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000161845863 400742972 /nfs/dbraw/zinc/74/29/72/400742972.db2.gz AAYMZXNWVMBLLX-AWEZNQCLSA-N 1 0 320.389 3.150 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCC[C@H](OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000593053403 400748080 /nfs/dbraw/zinc/74/80/80/400748080.db2.gz FIYKDHIKBIQIBN-HNNXBMFYSA-N 1 0 322.405 3.383 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+](CC(C)C)CC(C)C ZINC000052855911 400750235 /nfs/dbraw/zinc/75/02/35/400750235.db2.gz VUBLFJMZLJABMM-UHFFFAOYSA-N 1 0 321.421 3.456 20 5 DGBDRO CC(C)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC1 ZINC000077357238 400711871 /nfs/dbraw/zinc/71/18/71/400711871.db2.gz PNWJIISDXUINOX-UHFFFAOYSA-N 1 0 306.362 3.224 20 5 DGBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171842463 400808138 /nfs/dbraw/zinc/80/81/38/400808138.db2.gz KGNUBBIBKWUOAW-KRWDZBQOSA-N 1 0 318.373 3.351 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3(C4CCC4)CC3)n2)cc1 ZINC000593082318 400757356 /nfs/dbraw/zinc/75/73/56/400757356.db2.gz VBVXIGDGBVXOCT-UHFFFAOYSA-N 1 0 314.345 3.067 20 5 DGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000604304587 400762653 /nfs/dbraw/zinc/76/26/53/400762653.db2.gz QLICEQRMAMCUMR-ZFWWWQNUSA-N 1 0 312.373 3.237 20 5 DGBDRO C[NH+](C)[C@H](CNc1ccsc1[N+](=O)[O-])Cc1ccccc1 ZINC000604433130 400776157 /nfs/dbraw/zinc/77/61/57/400776157.db2.gz VCQZVRFJZVDEFM-ZDUSSCGKSA-N 1 0 305.403 3.241 20 5 DGBDRO COc1ccc(C[NH2+][C@@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000619611158 400873054 /nfs/dbraw/zinc/87/30/54/400873054.db2.gz UQGMNJWEEDVYNZ-CQSZACIVSA-N 1 0 313.357 3.166 20 5 DGBDRO CCOc1cncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000598641860 400849341 /nfs/dbraw/zinc/84/93/41/400849341.db2.gz XGMPCTNOPJDXRR-GFCCVEGCSA-N 1 0 301.346 3.239 20 5 DGBDRO CC(C)c1ccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721452 400864965 /nfs/dbraw/zinc/86/49/65/400864965.db2.gz VTJSUVJJSWIIQW-RHSMWYFYSA-N 1 0 303.406 3.031 20 5 DGBDRO CCC[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)OCC ZINC000599057961 400943501 /nfs/dbraw/zinc/94/35/01/400943501.db2.gz DHDICTYJPDZBRX-OCCSQVGLSA-N 1 0 310.394 3.459 20 5 DGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599086474 400955519 /nfs/dbraw/zinc/95/55/19/400955519.db2.gz OCSZEDZUTHXLGU-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCC[C@H]2CCCF)cc1 ZINC000619753732 400898165 /nfs/dbraw/zinc/89/81/65/400898165.db2.gz HZCPTWGCBLMCLE-BBRMVZONSA-N 1 0 310.369 3.482 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)C1CC1 ZINC000599085690 400955587 /nfs/dbraw/zinc/95/55/87/400955587.db2.gz VDNCQKBZYXXROX-XYJFISCASA-N 1 0 316.401 3.073 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000598997448 400924068 /nfs/dbraw/zinc/92/40/68/400924068.db2.gz BOLHVBRTHHNINT-KRWDZBQOSA-N 1 0 303.406 3.010 20 5 DGBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@H](c2cc[nH]n2)C1 ZINC000599034508 400933075 /nfs/dbraw/zinc/93/30/75/400933075.db2.gz SHYVUIMPOPJEFX-ZDUSSCGKSA-N 1 0 323.356 3.250 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599033765 400933460 /nfs/dbraw/zinc/93/34/60/400933460.db2.gz CFWUQETYZIRGLF-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000599090615 400957251 /nfs/dbraw/zinc/95/72/51/400957251.db2.gz ANGIDFVNLAFVMD-QCEMKRCNSA-N 1 0 304.390 3.073 20 5 DGBDRO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599093614 400958309 /nfs/dbraw/zinc/95/83/09/400958309.db2.gz ZVYNFIWEQZMTQF-MJEQTWJJSA-N 1 0 304.390 3.377 20 5 DGBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000599093117 400958548 /nfs/dbraw/zinc/95/85/48/400958548.db2.gz VVERCBCODVQDBQ-TXCZRRACSA-N 1 0 318.417 3.321 20 5 DGBDRO CCC(CC)[NH2+]CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000599097950 400960486 /nfs/dbraw/zinc/96/04/86/400960486.db2.gz OAGKBSOXNIZYPG-UHFFFAOYSA-N 1 0 302.378 3.333 20 5 DGBDRO CCOc1cc(NC[C@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599138626 400973773 /nfs/dbraw/zinc/97/37/73/400973773.db2.gz HOVGFTVDFAOXJU-CYBMUJFWSA-N 1 0 307.394 3.137 20 5 DGBDRO CCC(CC)[C@@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000058604552 401061837 /nfs/dbraw/zinc/06/18/37/401061837.db2.gz XYRGXVXCJLPREF-OAHLLOKOSA-N 1 0 306.410 3.302 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000594501995 401082851 /nfs/dbraw/zinc/08/28/51/401082851.db2.gz GQEMRSNSEFALKX-HKUYNNGSSA-N 1 0 324.380 3.486 20 5 DGBDRO CN1Cc2ccccc2[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594503112 401083072 /nfs/dbraw/zinc/08/30/72/401083072.db2.gz SPAWXSALKHMRGQ-ZWKOTPCHSA-N 1 0 323.396 3.358 20 5 DGBDRO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000255507021 401104862 /nfs/dbraw/zinc/10/48/62/401104862.db2.gz LYUVAUZQKHHWPQ-BYPUDFOVSA-N 1 0 312.373 3.211 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000255772233 401107058 /nfs/dbraw/zinc/10/70/58/401107058.db2.gz LPGLSSJAYYGEQE-CTEOGUNLSA-N 1 0 315.417 3.168 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3CCc4ccccc4CC3)nc2c1 ZINC000083198322 401114454 /nfs/dbraw/zinc/11/44/54/401114454.db2.gz ZYDHLKXQKLBCRR-UHFFFAOYSA-N 1 0 323.352 3.337 20 5 DGBDRO COc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594596474 401122296 /nfs/dbraw/zinc/12/22/96/401122296.db2.gz ACMKGGNNFSWDCR-UONOGXRCSA-N 1 0 305.378 3.032 20 5 DGBDRO CCOc1cccc(NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000358224627 286002861 /nfs/dbraw/zinc/00/28/61/286002861.db2.gz BZECMMUBURDXMA-UHFFFAOYSA-N 1 0 307.394 3.281 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594519390 401098061 /nfs/dbraw/zinc/09/80/61/401098061.db2.gz KHYIOSPHMZUKJH-JLJPHGGASA-N 1 0 303.406 3.262 20 5 DGBDRO CC[N@@H+]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000615835314 401160543 /nfs/dbraw/zinc/16/05/43/401160543.db2.gz ISOVGUGJICBBAI-IPJDOKCGSA-N 1 0 303.406 3.024 20 5 DGBDRO O=C(CC[NH2+]CCCC1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000594733057 401162356 /nfs/dbraw/zinc/16/23/56/401162356.db2.gz QDWULWDEKIAEMV-UHFFFAOYSA-N 1 0 305.378 3.093 20 5 DGBDRO CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)[NH3+] ZINC000594737178 401166196 /nfs/dbraw/zinc/16/61/96/401166196.db2.gz YHTAGXOIWVGTSJ-UHFFFAOYSA-N 1 0 303.362 3.024 20 5 DGBDRO Cc1ncc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)n1 ZINC000358306809 286027001 /nfs/dbraw/zinc/02/70/01/286027001.db2.gz GPVJQYPKPINHJU-NSHDSACASA-N 1 0 300.362 3.161 20 5 DGBDRO COCc1csc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000594918535 401189425 /nfs/dbraw/zinc/18/94/25/401189425.db2.gz BOZHEHRDBFHOCE-UHFFFAOYSA-N 1 0 322.386 3.101 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000358341491 286036494 /nfs/dbraw/zinc/03/64/94/286036494.db2.gz SRDPKQSGLNGTLP-NSHDSACASA-N 1 0 308.378 3.113 20 5 DGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000065586752 401272797 /nfs/dbraw/zinc/27/27/97/401272797.db2.gz VXHQWQSKSKGOBT-NEPJUHHUSA-N 1 0 322.365 3.035 20 5 DGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010130 401230096 /nfs/dbraw/zinc/23/00/96/401230096.db2.gz BVOCQBJGIJZIDQ-YNEHKIRRSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000595012527 401230974 /nfs/dbraw/zinc/23/09/74/401230974.db2.gz CNYAJLLAQSMXRN-WOSRLPQWSA-N 1 0 322.405 3.458 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](CCO)CC(C)C ZINC000595011034 401231387 /nfs/dbraw/zinc/23/13/87/401231387.db2.gz GLSBUWXQYFZUKG-KBPBESRZSA-N 1 0 324.421 3.299 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000595012698 401231494 /nfs/dbraw/zinc/23/14/94/401231494.db2.gz NRBSJZSRBBNMFR-OLZOCXBDSA-N 1 0 315.373 3.453 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](OC)C(C)(C)C ZINC000595015030 401232305 /nfs/dbraw/zinc/23/23/05/401232305.db2.gz WOJZXCCIFHPLGF-NHYWBVRUSA-N 1 0 310.394 3.315 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020079 401235694 /nfs/dbraw/zinc/23/56/94/401235694.db2.gz TVNIQOFMWAXOJI-UKRRQHHQSA-N 1 0 321.421 3.128 20 5 DGBDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000358512986 286081308 /nfs/dbraw/zinc/08/13/08/286081308.db2.gz UWKGMUWTLPZSCG-GFCCVEGCSA-N 1 0 315.373 3.412 20 5 DGBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000358979040 286204497 /nfs/dbraw/zinc/20/44/97/286204497.db2.gz FYLGMTNUTSXUMY-ZDUSSCGKSA-N 1 0 315.826 3.097 20 5 DGBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000359044137 286222539 /nfs/dbraw/zinc/22/25/39/286222539.db2.gz FYPOFQZTFWPGMH-BARDWOONSA-N 1 0 306.410 3.301 20 5 DGBDRO CCC(=O)c1ccc(NCC[N@@H+](CC)C(C)C)c([N+](=O)[O-])c1 ZINC000359479603 286317228 /nfs/dbraw/zinc/31/72/28/286317228.db2.gz HAEUGHVEUMRHLV-UHFFFAOYSA-N 1 0 307.394 3.330 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000336698036 292290029 /nfs/dbraw/zinc/29/00/29/292290029.db2.gz CIZIOWXSEHEPRL-AWEZNQCLSA-N 1 0 314.389 3.231 20 5 DGBDRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000359951822 286395937 /nfs/dbraw/zinc/39/59/37/286395937.db2.gz FGWFULCNTXUSAS-OCCSQVGLSA-N 1 0 307.369 3.105 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420397892 292297033 /nfs/dbraw/zinc/29/70/33/292297033.db2.gz GANWWNDCUYHFJI-DZGCQCFKSA-N 1 0 311.385 3.354 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000360015464 286408397 /nfs/dbraw/zinc/40/83/97/286408397.db2.gz IOBGUOJURUZFRN-HNNXBMFYSA-N 1 0 323.824 3.308 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000361238234 286631617 /nfs/dbraw/zinc/63/16/17/286631617.db2.gz SRJHOTMTCROPSF-HOTGVXAUSA-N 1 0 322.405 3.285 20 5 DGBDRO Cc1cc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000408278848 165951860 /nfs/dbraw/zinc/95/18/60/165951860.db2.gz YRZACERHHJBBRD-KKUMJFAQSA-N 1 0 318.421 3.140 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000364313906 287011621 /nfs/dbraw/zinc/01/16/21/287011621.db2.gz CGFMLLJGQQLIMK-AWEZNQCLSA-N 1 0 306.410 3.263 20 5 DGBDRO C[C@H](C[NH+]1CCCCCC1)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302876174 298588498 /nfs/dbraw/zinc/58/84/98/298588498.db2.gz GAZNEKYBTNTODP-CYBMUJFWSA-N 1 0 318.421 3.239 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000364762218 287059065 /nfs/dbraw/zinc/05/90/65/287059065.db2.gz YOGORPWEUHLTEL-LBPRGKRZSA-N 1 0 317.301 3.086 20 5 DGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000185618927 165009994 /nfs/dbraw/zinc/00/99/94/165009994.db2.gz JSJXRYSZJRVOFM-BBRMVZONSA-N 1 0 319.405 3.352 20 5 DGBDRO C[N@@H+]1CC[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000228848198 165390854 /nfs/dbraw/zinc/39/08/54/165390854.db2.gz YQIJKENBPPIWKB-QMMMGPOBSA-N 1 0 304.177 3.265 20 5 DGBDRO CCC(CC)(CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230146591 165392228 /nfs/dbraw/zinc/39/22/28/165392228.db2.gz NEXPGWUIAPHCKB-UHFFFAOYSA-N 1 0 300.786 3.137 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000245560400 165467706 /nfs/dbraw/zinc/46/77/06/165467706.db2.gz UQQLSIPTSLWIGO-DANNLKNASA-N 1 0 302.374 3.203 20 5 DGBDRO CCC1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1 ZINC000295200474 165892191 /nfs/dbraw/zinc/89/21/91/165892191.db2.gz KSLVTJUCRAGJEO-UHFFFAOYSA-N 1 0 316.361 3.457 20 5 DGBDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000365853500 287181014 /nfs/dbraw/zinc/18/10/14/287181014.db2.gz NKLMRSCQQIWXRL-ZFWWWQNUSA-N 1 0 314.389 3.015 20 5 DGBDRO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366026376 287201705 /nfs/dbraw/zinc/20/17/05/287201705.db2.gz UNFWGXCMZJSDOB-UONOGXRCSA-N 1 0 306.410 3.255 20 5 DGBDRO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269013620 432151412 /nfs/dbraw/zinc/15/14/12/432151412.db2.gz OAULNNWAIYGRQN-ZDUSSCGKSA-N 1 0 303.406 3.262 20 5 DGBDRO C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C ZINC000246645819 432151731 /nfs/dbraw/zinc/15/17/31/432151731.db2.gz IIURCGCEVILPDR-RYUDHWBXSA-N 1 0 306.362 3.082 20 5 DGBDRO CC[N@H+](CCc1cccs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269632511 432188947 /nfs/dbraw/zinc/18/89/47/432188947.db2.gz GBOWDDDJNMZZTJ-MRXNPFEDSA-N 1 0 320.414 3.254 20 5 DGBDRO CC(C)C[NH+]1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000131221982 196151323 /nfs/dbraw/zinc/15/13/23/196151323.db2.gz XLMTVUSQLPIVFL-AWEZNQCLSA-N 1 0 305.422 3.366 20 5 DGBDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000247244784 432215211 /nfs/dbraw/zinc/21/52/11/432215211.db2.gz WXNUCEVRTQDLOK-YOEHRIQHSA-N 1 0 314.389 3.183 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000151116903 432222514 /nfs/dbraw/zinc/22/25/14/432222514.db2.gz NORPLVBVRLWTDO-LSDHHAIUSA-N 1 0 305.422 3.286 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N)c1ccccc1 ZINC000414827723 533682016 /nfs/dbraw/zinc/68/20/16/533682016.db2.gz HOYVEPHKBPGQEQ-YOEHRIQHSA-N 1 0 313.401 3.206 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000298156753 228386639 /nfs/dbraw/zinc/38/66/39/228386639.db2.gz DUEWVPGAHAWICX-LOWVWBTDSA-N 1 0 305.378 3.103 20 5 DGBDRO Cc1c(CN(C)C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000299533348 229187729 /nfs/dbraw/zinc/18/77/29/229187729.db2.gz HHAUPTPKIIJCCG-UHFFFAOYSA-N 1 0 305.422 3.208 20 5 DGBDRO C[C@@H]([NH2+]CC[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000299563563 229212944 /nfs/dbraw/zinc/21/29/44/229212944.db2.gz GUZOHJCXCIMZHW-DYVFJYSZSA-N 1 0 300.358 3.369 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2c1 ZINC000413067681 230124947 /nfs/dbraw/zinc/12/49/47/230124947.db2.gz WWSMSLOFSCXFMB-CVEARBPZSA-N 1 0 312.373 3.182 20 5 DGBDRO Cc1cc(N(C)C[C@@H]2CCCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302146133 230125386 /nfs/dbraw/zinc/12/53/86/230125386.db2.gz GOYULRHQBPZVPF-AWEZNQCLSA-N 1 0 315.373 3.457 20 5 DGBDRO Cc1cc(N(C)Cc2cccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302194411 230153149 /nfs/dbraw/zinc/15/31/49/230153149.db2.gz SBFPOBJDNWWDEY-UHFFFAOYSA-N 1 0 308.341 3.483 20 5 DGBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000250104735 263869503 /nfs/dbraw/zinc/86/95/03/263869503.db2.gz RXDQWTWBLGACGJ-NQZOLGFYSA-N 1 0 318.417 3.055 20 5 DGBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000346354751 264017109 /nfs/dbraw/zinc/01/71/09/264017109.db2.gz RIDAVRXSDNMADL-UHFFFAOYSA-N 1 0 304.346 3.477 20 5 DGBDRO [NH3+]CCCN(Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000346360647 264017771 /nfs/dbraw/zinc/01/77/71/264017771.db2.gz JGZRSZUKNFGOFW-UHFFFAOYSA-N 1 0 303.337 3.089 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2cccnc2)c(F)c1 ZINC000346987864 264134711 /nfs/dbraw/zinc/13/47/11/264134711.db2.gz FTDSFHCVHPVLRF-MRXNPFEDSA-N 1 0 301.321 3.466 20 5 DGBDRO [NH3+]CCN(Cc1cccc2cc[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000348922464 264469664 /nfs/dbraw/zinc/46/96/64/264469664.db2.gz QMZZXONJEYAXNE-UHFFFAOYSA-N 1 0 310.357 3.041 20 5 DGBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000349357154 264514200 /nfs/dbraw/zinc/51/42/00/264514200.db2.gz TUSYMFLYYWKKQB-XEKFUKFUSA-N 1 0 324.446 3.382 20 5 DGBDRO COCCOC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182795009 432228755 /nfs/dbraw/zinc/22/87/55/432228755.db2.gz DQMBCZRJZJOOGF-AWEZNQCLSA-N 1 0 322.405 3.092 20 5 DGBDRO CC[NH+](CC)CC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000352718231 265139266 /nfs/dbraw/zinc/13/92/66/265139266.db2.gz JMBILSYGDWFFNX-UHFFFAOYSA-N 1 0 323.412 3.288 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1O ZINC000353252841 265363797 /nfs/dbraw/zinc/36/37/97/265363797.db2.gz KJBCXLQZARRKOR-GFCCVEGCSA-N 1 0 316.357 3.202 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC(C)(C)C1 ZINC000353276191 265372328 /nfs/dbraw/zinc/37/23/28/265372328.db2.gz UQSBDIHPMHQJAT-LBPRGKRZSA-N 1 0 305.378 3.044 20 5 DGBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000355366220 266051907 /nfs/dbraw/zinc/05/19/07/266051907.db2.gz NAVGKMREPMQGDJ-OAHLLOKOSA-N 1 0 311.813 3.020 20 5 DGBDRO COCC[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000355784786 266184515 /nfs/dbraw/zinc/18/45/15/266184515.db2.gz VESAJDJRZJWDMT-AWEZNQCLSA-N 1 0 308.309 3.194 20 5 DGBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182850102 432235631 /nfs/dbraw/zinc/23/56/31/432235631.db2.gz IZPIDMKXJSOUHR-ZIAGYGMSSA-N 1 0 320.389 3.239 20 5 DGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000172823912 432238420 /nfs/dbraw/zinc/23/84/20/432238420.db2.gz WSCRKZDLTWUZLU-BLLLJJGKSA-N 1 0 323.441 3.042 20 5 DGBDRO Cc1nccn1CCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182917652 432240905 /nfs/dbraw/zinc/24/09/05/432240905.db2.gz JANNFISLUZRETF-CQSZACIVSA-N 1 0 316.405 3.491 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000182949274 432244832 /nfs/dbraw/zinc/24/48/32/432244832.db2.gz XVKDPWICGXAJOQ-VXGBXAGGSA-N 1 0 319.405 3.256 20 5 DGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191291725 432245194 /nfs/dbraw/zinc/24/51/94/432245194.db2.gz VNVMUWCJLYIEQE-ZDUSSCGKSA-N 1 0 316.361 3.313 20 5 DGBDRO COCCO[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182944959 432245692 /nfs/dbraw/zinc/24/56/92/432245692.db2.gz OPKBYJLXQUHIPR-ZBFHGGJFSA-N 1 0 322.405 3.092 20 5 DGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000191306985 432248994 /nfs/dbraw/zinc/24/89/94/432248994.db2.gz ZBTBGAMKGAIDQH-CYBMUJFWSA-N 1 0 316.361 3.313 20 5 DGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000172987114 432250209 /nfs/dbraw/zinc/25/02/09/432250209.db2.gz QZWUJVGIROXAEE-NWDGAFQWSA-N 1 0 316.361 3.265 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H](OCC2CC2)C1 ZINC000368786201 271207849 /nfs/dbraw/zinc/20/78/49/271207849.db2.gz JBWXYUKXYGHRTL-HNNXBMFYSA-N 1 0 308.353 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCOCC2(CCCC2)C1 ZINC000369020079 271234108 /nfs/dbraw/zinc/23/41/08/271234108.db2.gz UIKLXRMCDRXNHE-UHFFFAOYSA-N 1 0 308.353 3.127 20 5 DGBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000369260726 271256460 /nfs/dbraw/zinc/25/64/60/271256460.db2.gz XMQNVGQQKQEUGE-GFCCVEGCSA-N 1 0 312.797 3.497 20 5 DGBDRO Cc1cccc([C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369679593 271310360 /nfs/dbraw/zinc/31/03/60/271310360.db2.gz DLJRGSUXDMOFDE-AWEZNQCLSA-N 1 0 314.389 3.498 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000370647409 271377467 /nfs/dbraw/zinc/37/74/67/271377467.db2.gz HDSRKZJXYUFVCU-RDJZCZTQSA-N 1 0 320.389 3.039 20 5 DGBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000183062582 432254010 /nfs/dbraw/zinc/25/40/10/432254010.db2.gz JJGUQWWKQUXDCF-UHFFFAOYSA-N 1 0 302.334 3.019 20 5 DGBDRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000183058391 432255192 /nfs/dbraw/zinc/25/51/92/432255192.db2.gz KGDPCRUSECHLJH-YPMHNXCESA-N 1 0 307.394 3.256 20 5 DGBDRO CC1(C)C[C@@H](NCCC[NH2+]C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423556772 273587450 /nfs/dbraw/zinc/58/74/50/273587450.db2.gz MQFAZCWUYXJWSC-MRXNPFEDSA-N 1 0 303.406 3.049 20 5 DGBDRO CCC1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)COC1 ZINC000453357577 273602657 /nfs/dbraw/zinc/60/26/57/273602657.db2.gz IVWUYYUDSZYYLM-HNNXBMFYSA-N 1 0 304.390 3.333 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413256698 273807276 /nfs/dbraw/zinc/80/72/76/273807276.db2.gz BSSQQMAJYQUYHM-CQSZACIVSA-N 1 0 314.389 3.064 20 5 DGBDRO CSCC[C@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433287396 274176887 /nfs/dbraw/zinc/17/68/87/274176887.db2.gz LIWUDGJRFUVOKK-ABAIWWIYSA-N 1 0 324.446 3.021 20 5 DGBDRO C[C@@H](CC[NH+](C)C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166119 274208832 /nfs/dbraw/zinc/20/88/32/274208832.db2.gz WWNFJNXMXHBWHS-LRDDRELGSA-N 1 0 305.422 3.247 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COc2ccccc2C1 ZINC000449099696 274231690 /nfs/dbraw/zinc/23/16/90/274231690.db2.gz OROKRZHRNPYOIP-BBRMVZONSA-N 1 0 312.369 3.119 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000249272879 274286269 /nfs/dbraw/zinc/28/62/69/274286269.db2.gz JWOGBERNRVEMKN-CHWSQXEVSA-N 1 0 324.450 3.142 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000077318944 274302645 /nfs/dbraw/zinc/30/26/45/274302645.db2.gz VNWNGDUMCRATMS-VXGBXAGGSA-N 1 0 306.362 3.082 20 5 DGBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000287391809 274379300 /nfs/dbraw/zinc/37/93/00/274379300.db2.gz ISJGZHICMHCGLM-MRRJBJDNSA-N 1 0 304.390 3.234 20 5 DGBDRO C[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000413079261 274492679 /nfs/dbraw/zinc/49/26/79/274492679.db2.gz YSNNVXJEWNZMBO-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000420190684 274591388 /nfs/dbraw/zinc/59/13/88/274591388.db2.gz QWVWNVWGRGRSQP-OIBJUYFYSA-N 1 0 304.177 3.075 20 5 DGBDRO Cc1noc(C)c1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192733920 274873660 /nfs/dbraw/zinc/87/36/60/274873660.db2.gz DRYXLYSMPSWHGQ-MRXNPFEDSA-N 1 0 301.346 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000285317626 275035172 /nfs/dbraw/zinc/03/51/72/275035172.db2.gz IRGODPKZFWNKRA-MRXNPFEDSA-N 1 0 300.362 3.088 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1=CCCOC1)CCCC2 ZINC000417324917 275038085 /nfs/dbraw/zinc/03/80/85/275038085.db2.gz APIWWYXOJIOSLG-QGZVFWFLSA-N 1 0 302.374 3.299 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1c3ccccc3C[C@@H]1O)CCC2 ZINC000192943852 275038703 /nfs/dbraw/zinc/03/87/03/275038703.db2.gz GJZVSACZJSCFBC-QYZOEREBSA-N 1 0 324.380 3.220 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000449579525 275040036 /nfs/dbraw/zinc/04/00/36/275040036.db2.gz GYBBEBUXTFGGPT-ZBFHGGJFSA-N 1 0 318.417 3.058 20 5 DGBDRO CC(C)(CO)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000294836102 275549895 /nfs/dbraw/zinc/54/98/95/275549895.db2.gz QOFLBFBGXREBPC-GOEBONIOSA-N 1 0 320.433 3.304 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@@H+]1C1CC1 ZINC000519613316 429471663 /nfs/dbraw/zinc/47/16/63/429471663.db2.gz NLZBYLORHNYZFG-WCQYABFASA-N 1 0 312.373 3.180 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@@H+]1C1CC1 ZINC000519613310 429472152 /nfs/dbraw/zinc/47/21/52/429472152.db2.gz NLZBYLORHNYZFG-DGCLKSJQSA-N 1 0 312.373 3.180 20 5 DGBDRO CC1(C)CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447584190 275831993 /nfs/dbraw/zinc/83/19/93/275831993.db2.gz DTCNKRDGDVLMCD-IHRRRGAJSA-N 1 0 306.410 3.443 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc21 ZINC000296448692 275862360 /nfs/dbraw/zinc/86/23/60/275862360.db2.gz MPZSGXNXSYAPSA-BFQNTYOBSA-N 1 0 304.390 3.068 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000315394979 276105273 /nfs/dbraw/zinc/10/52/73/276105273.db2.gz DUNAELIVZHTQCI-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182734077 276144147 /nfs/dbraw/zinc/14/41/47/276144147.db2.gz POFZQUBIIGYREH-ZDUSSCGKSA-N 1 0 302.378 3.220 20 5 DGBDRO CC[NH+](CC)C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093692937 276334581 /nfs/dbraw/zinc/33/45/81/276334581.db2.gz CTTHYIQGEDGHMJ-MNDMWVCDSA-N 1 0 317.433 3.272 20 5 DGBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])s1)CC(C)C ZINC000472340612 429714614 /nfs/dbraw/zinc/71/46/14/429714614.db2.gz NPLBAPSVLPHXNA-NSHDSACASA-N 1 0 300.428 3.220 20 5 DGBDRO C[NH+]1CCC([C@@H]2CCN(c3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000432322059 276889198 /nfs/dbraw/zinc/88/91/98/276889198.db2.gz JVKLFGCQNMUGEJ-CYBMUJFWSA-N 1 0 323.824 3.416 20 5 DGBDRO CN1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433142881 277064735 /nfs/dbraw/zinc/06/47/35/277064735.db2.gz GCLVXYNVNPECHT-CZUORRHYSA-N 1 0 303.406 3.001 20 5 DGBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000191640632 277625953 /nfs/dbraw/zinc/62/59/53/277625953.db2.gz NCOSGWPZCBWNHK-AYDFFVQHSA-N 1 0 306.406 3.319 20 5 DGBDRO COc1cccc(NC[C@@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000274599597 278018105 /nfs/dbraw/zinc/01/81/05/278018105.db2.gz MFVQHRODTKGFTC-ZDUSSCGKSA-N 1 0 321.402 3.380 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000337558375 278282029 /nfs/dbraw/zinc/28/20/29/278282029.db2.gz SRDOYTADSYUGJH-GAFUQQFSSA-N 1 0 300.305 3.406 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCCCCC1 ZINC000449157745 278298638 /nfs/dbraw/zinc/29/86/38/278298638.db2.gz QYILCOPNIZZIOH-AWEZNQCLSA-N 1 0 306.406 3.201 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000449308159 278298724 /nfs/dbraw/zinc/29/87/24/278298724.db2.gz VCOGOUTVFHCAON-ZKYQVNSYSA-N 1 0 314.332 3.276 20 5 DGBDRO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000331969061 279035940 /nfs/dbraw/zinc/03/59/40/279035940.db2.gz JMMUVHDSTRIYFI-XZJROXQQSA-N 1 0 303.406 3.047 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000068838395 431144212 /nfs/dbraw/zinc/14/42/12/431144212.db2.gz UHDGSIYIIMRLEO-UHFFFAOYSA-N 1 0 319.405 3.042 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)C1CCCCC1 ZINC000449207909 279382968 /nfs/dbraw/zinc/38/29/68/279382968.db2.gz RPUXIBZSPYDFLZ-RHSMWYFYSA-N 1 0 320.433 3.447 20 5 DGBDRO CC(C)[NH2+]C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112079836 431246716 /nfs/dbraw/zinc/24/67/16/431246716.db2.gz OTVRMYYFJUCMPA-UHFFFAOYSA-N 1 0 314.389 3.110 20 5 DGBDRO C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000112079980 431247511 /nfs/dbraw/zinc/24/75/11/431247511.db2.gz BERCDRJWPXJFIB-LLVKDONJSA-N 1 0 300.362 3.038 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007379463 431344805 /nfs/dbraw/zinc/34/48/05/431344805.db2.gz JJWAMTNEWQTVCP-QWHCGFSZSA-N 1 0 313.357 3.273 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000297380705 279874336 /nfs/dbraw/zinc/87/43/36/279874336.db2.gz IKSFEEKSQYXUKY-BSLXNSKLSA-N 1 0 310.419 3.154 20 5 DGBDRO CC[NH+](CC)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000076004402 431514959 /nfs/dbraw/zinc/51/49/59/431514959.db2.gz UPNMTKABHCNLIW-OAHLLOKOSA-N 1 0 305.422 3.067 20 5 DGBDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000117349065 431560415 /nfs/dbraw/zinc/56/04/15/431560415.db2.gz PCRQCUYKIATMDM-INIZCTEOSA-N 1 0 320.389 3.472 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000417313528 280227405 /nfs/dbraw/zinc/22/74/05/280227405.db2.gz WJMULTVHCPTAFN-QGZVFWFLSA-N 1 0 314.389 3.194 20 5 DGBDRO CCCC[N@H+](CC)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000027272331 431687576 /nfs/dbraw/zinc/68/75/76/431687576.db2.gz ZMMINVSJJOHULV-UHFFFAOYSA-N 1 0 323.393 3.054 20 5 DGBDRO Cc1cc(N2CCC[C@@](C)(O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280512467 280553152 /nfs/dbraw/zinc/55/31/52/280553152.db2.gz QDCJMZMYFPHZKR-QGZVFWFLSA-N 1 0 315.373 3.193 20 5 DGBDRO Cc1cncc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000119589567 431710227 /nfs/dbraw/zinc/71/02/27/431710227.db2.gz PGJPJJYNAQVERD-UHFFFAOYSA-N 1 0 323.356 3.311 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N(C)CC1CC[NH+](C)CC1 ZINC000302809807 280656231 /nfs/dbraw/zinc/65/62/31/280656231.db2.gz GTMJQXDVKSBDIG-UHFFFAOYSA-N 1 0 311.813 3.335 20 5 DGBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000119729273 431715365 /nfs/dbraw/zinc/71/53/65/431715365.db2.gz MNOUEWFBDWNHSW-UHFFFAOYSA-N 1 0 315.373 3.281 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)nc2c1 ZINC000083243491 431810257 /nfs/dbraw/zinc/81/02/57/431810257.db2.gz BPHOQWDRWXWVIM-RYUDHWBXSA-N 1 0 301.346 3.358 20 5 DGBDRO CC(C)([NH2+]Cc1cccc2c1OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000080346956 431767834 /nfs/dbraw/zinc/76/78/34/431767834.db2.gz KCPMYWLVMZQDGX-UHFFFAOYSA-N 1 0 314.341 3.348 20 5 DGBDRO CC(C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000080746445 431774932 /nfs/dbraw/zinc/77/49/32/431774932.db2.gz MAYYXNFPFDTYKU-KBPBESRZSA-N 1 0 319.405 3.290 20 5 DGBDRO CCC[C@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000121447364 431786308 /nfs/dbraw/zinc/78/63/08/431786308.db2.gz RRGCPFAUXNANHJ-BBRMVZONSA-N 1 0 321.421 3.330 20 5 DGBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000123718122 431872410 /nfs/dbraw/zinc/87/24/10/431872410.db2.gz IJEIRVFQMYWXKU-NEPJUHHUSA-N 1 0 312.797 3.374 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000125307258 431921440 /nfs/dbraw/zinc/92/14/40/431921440.db2.gz VLVFULDLZPRVOG-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123758139 431874378 /nfs/dbraw/zinc/87/43/78/431874378.db2.gz HQDNNKDBVVZPJO-BXUZGUMPSA-N 1 0 312.797 3.374 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000090409305 431891192 /nfs/dbraw/zinc/89/11/92/431891192.db2.gz WAOQQRVSZVNLOH-LLVKDONJSA-N 1 0 321.764 3.373 20 5 DGBDRO C[N@@H+]1CCC[C@H]1CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000125637513 431931651 /nfs/dbraw/zinc/93/16/51/431931651.db2.gz FDOMIAXYMNXWHT-HNNXBMFYSA-N 1 0 303.406 3.044 20 5 DGBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1 ZINC000052283967 431955774 /nfs/dbraw/zinc/95/57/74/431955774.db2.gz QMCLNNBFVYFJMA-UHFFFAOYSA-N 1 0 302.334 3.019 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+](C)CCC(C)C)cccc1[N+](=O)[O-] ZINC000053365407 431963435 /nfs/dbraw/zinc/96/34/35/431963435.db2.gz GRHWLZWQZZEPRU-UHFFFAOYSA-N 1 0 307.394 3.210 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000127349657 431969839 /nfs/dbraw/zinc/96/98/39/431969839.db2.gz OZTZYIRHNIGDIX-LAJNKCICSA-N 1 0 312.435 3.101 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000485718793 281021146 /nfs/dbraw/zinc/02/11/46/281021146.db2.gz SYSCFKGDRDSKMY-HNNXBMFYSA-N 1 0 305.422 3.238 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000056197196 431987535 /nfs/dbraw/zinc/98/75/35/431987535.db2.gz JSERUJCWAWQRTD-CHWSQXEVSA-N 1 0 313.357 3.273 20 5 DGBDRO Cc1cccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000302493859 281229885 /nfs/dbraw/zinc/22/98/85/281229885.db2.gz LEDLAOUAHZYUPB-ZBFHGGJFSA-N 1 0 315.417 3.356 20 5 DGBDRO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000173314805 432271416 /nfs/dbraw/zinc/27/14/16/432271416.db2.gz MHTFMYQQTOIOGD-ZDUSSCGKSA-N 1 0 323.356 3.026 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000248200259 432275861 /nfs/dbraw/zinc/27/58/61/432275861.db2.gz YLXHBAFPWCTCFI-QKPAOTATSA-N 1 0 304.390 3.449 20 5 DGBDRO C[C@@H]([NH2+]CCCOCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173436639 432279278 /nfs/dbraw/zinc/27/92/78/432279278.db2.gz FEKHOEGXWSANAP-CQSZACIVSA-N 1 0 322.405 3.079 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C/C=C/c3ccccc3)C2)nc1 ZINC000173467263 432280797 /nfs/dbraw/zinc/28/07/97/432280797.db2.gz PQJWJDSDHZHVPB-IEXSPKMKSA-N 1 0 324.384 3.189 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000191609186 432282129 /nfs/dbraw/zinc/28/21/29/432282129.db2.gz DLMWITLLMMZQDT-UHFFFAOYSA-N 1 0 311.385 3.412 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CN1CCCCC1 ZINC000151862889 432283803 /nfs/dbraw/zinc/28/38/03/432283803.db2.gz NVRIYCFEOGXOGW-GJZGRUSLSA-N 1 0 305.422 3.428 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000248540285 432297923 /nfs/dbraw/zinc/29/79/23/432297923.db2.gz BGGWDCUEXNFUAP-NJZAAPMLSA-N 1 0 319.405 3.256 20 5 DGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cccc(OCC)c2[N+](=O)[O-])C1 ZINC000183153234 432263538 /nfs/dbraw/zinc/26/35/38/432263538.db2.gz DBYVJMYYUFRMKN-AWEZNQCLSA-N 1 0 321.421 3.162 20 5 DGBDRO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000152439825 432333878 /nfs/dbraw/zinc/33/38/78/432333878.db2.gz VROTUDDNCRILGZ-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCO1 ZINC000271141813 432337575 /nfs/dbraw/zinc/33/75/75/432337575.db2.gz OMCYRAHZCSYHAQ-QWHCGFSZSA-N 1 0 310.419 3.234 20 5 DGBDRO C[C@H](C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183995653 432343479 /nfs/dbraw/zinc/34/34/79/432343479.db2.gz KSJXSVYGGRILSA-GFCCVEGCSA-N 1 0 305.403 3.329 20 5 DGBDRO COC(=O)[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000191809199 432305234 /nfs/dbraw/zinc/30/52/34/432305234.db2.gz KLLYXFDKUNKETO-NFAWXSAZSA-N 1 0 320.389 3.095 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000192486437 432380719 /nfs/dbraw/zinc/38/07/19/432380719.db2.gz JWHPETSYUBTYNA-YPMHNXCESA-N 1 0 318.402 3.126 20 5 DGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc2ccccc2s1 ZINC000184363889 432382906 /nfs/dbraw/zinc/38/29/06/432382906.db2.gz LKEFYDVFEYJGFS-LLVKDONJSA-N 1 0 316.386 3.357 20 5 DGBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000184442263 432391856 /nfs/dbraw/zinc/39/18/56/432391856.db2.gz ULFIHRZVVMGDIP-KGLIPLIRSA-N 1 0 321.402 3.134 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)o2)cc1 ZINC000152951682 432370327 /nfs/dbraw/zinc/37/03/27/432370327.db2.gz DANFXJMPUHKTFU-UNEWFSDZSA-N 1 0 314.341 3.264 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000153699469 432434154 /nfs/dbraw/zinc/43/41/54/432434154.db2.gz GNYPFRCMDKHAJL-UHFFFAOYSA-N 1 0 304.390 3.233 20 5 DGBDRO CC[C@H]([NH2+]Cc1ccc(OC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000193024588 432440552 /nfs/dbraw/zinc/44/05/52/432440552.db2.gz XZIKSKHVXWUGKW-HNNXBMFYSA-N 1 0 301.346 3.239 20 5 DGBDRO CC[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000193024423 432440689 /nfs/dbraw/zinc/44/06/89/432440689.db2.gz BWKSWRKWZCPSBV-IAGOWNOFSA-N 1 0 322.405 3.221 20 5 DGBDRO C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000153833509 432447338 /nfs/dbraw/zinc/44/73/38/432447338.db2.gz UPOSCQFFSOFMHB-VIFPVBQESA-N 1 0 300.790 3.031 20 5 DGBDRO CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192808024 432417159 /nfs/dbraw/zinc/41/71/59/432417159.db2.gz LLPBYZMGILTPLL-SUMWQHHRSA-N 1 0 305.422 3.292 20 5 DGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000185231680 432480542 /nfs/dbraw/zinc/48/05/42/432480542.db2.gz BPEJDRBVFLUXNO-INIZCTEOSA-N 1 0 308.378 3.052 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCCC[C@@H]2c2ccccc2)n1 ZINC000176212433 432501032 /nfs/dbraw/zinc/50/10/32/432501032.db2.gz CSQHHUZIFGKYTF-MRXNPFEDSA-N 1 0 314.389 3.409 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000185479441 432504157 /nfs/dbraw/zinc/50/41/57/432504157.db2.gz RNRBTXHDDJFTFJ-UHFFFAOYSA-N 1 0 312.369 3.078 20 5 DGBDRO C[C@@]1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000273096066 432550206 /nfs/dbraw/zinc/55/02/06/432550206.db2.gz URXFHNUKQXKNKX-HUUCEWRRSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCOC(F)F)C1CC1 ZINC000194036606 432518944 /nfs/dbraw/zinc/51/89/44/432518944.db2.gz MYIHSGIUJHFRNG-ZDUSSCGKSA-N 1 0 314.332 3.135 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N(C)C)cc1[N+](=O)[O-] ZINC000154754414 432519419 /nfs/dbraw/zinc/51/94/19/432519419.db2.gz GMAURMGKPZXJSA-ZDUSSCGKSA-N 1 0 314.389 3.215 20 5 DGBDRO C[C@H](CCn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000272579966 432527644 /nfs/dbraw/zinc/52/76/44/432527644.db2.gz VABFVONQCFFBRB-LLVKDONJSA-N 1 0 308.769 3.013 20 5 DGBDRO CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]1 ZINC000263260503 432530269 /nfs/dbraw/zinc/53/02/69/432530269.db2.gz SIGUDJSEASIFNW-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(CCCO)CC1 ZINC000272970487 432538897 /nfs/dbraw/zinc/53/88/97/432538897.db2.gz RQPUVXXIJWSUCM-XVNBXDOJSA-N 1 0 304.390 3.093 20 5 DGBDRO C[C@@]1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273067943 432546752 /nfs/dbraw/zinc/54/67/52/432546752.db2.gz NUQIZQXYKCXXGX-HUUCEWRRSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@@H]1C[C@H](CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000273079418 432548537 /nfs/dbraw/zinc/54/85/37/432548537.db2.gz QEXJRBTVNDQDAD-WYVSAIIBSA-N 1 0 304.390 3.403 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)c1ccco1 ZINC000186560047 432607665 /nfs/dbraw/zinc/60/76/65/432607665.db2.gz XXYQCGCBXHABGR-HIFRSBDPSA-N 1 0 318.373 3.222 20 5 DGBDRO CC1(O)CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000177338941 432612694 /nfs/dbraw/zinc/61/26/94/432612694.db2.gz UDBUYUDFRACOMC-UHFFFAOYSA-N 1 0 323.392 3.293 20 5 DGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C)C1 ZINC000263779384 432576479 /nfs/dbraw/zinc/57/64/79/432576479.db2.gz OYEXZCPTXPLTBL-NWDGAFQWSA-N 1 0 316.361 3.438 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCOC2)s1 ZINC000263787402 432577619 /nfs/dbraw/zinc/57/76/19/432577619.db2.gz GRKDESTVOCFFDJ-LBPRGKRZSA-N 1 0 318.398 3.449 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000156003492 432584864 /nfs/dbraw/zinc/58/48/64/432584864.db2.gz ZWORPFMIYHHADI-HNNXBMFYSA-N 1 0 305.422 3.286 20 5 DGBDRO COc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000177209831 432596721 /nfs/dbraw/zinc/59/67/21/432596721.db2.gz DBPQPTMZHKFCTM-XJKSGUPXSA-N 1 0 322.430 3.463 20 5 DGBDRO C[C@@H]([N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(C)CC1 ZINC000177215907 432598882 /nfs/dbraw/zinc/59/88/82/432598882.db2.gz DCHQKDCTLOAYSM-LLVKDONJSA-N 1 0 316.361 3.265 20 5 DGBDRO C/C=C/C[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186506444 432602871 /nfs/dbraw/zinc/60/28/71/432602871.db2.gz XQPWWPTZUMALPE-RHZUSWIQSA-N 1 0 318.417 3.223 20 5 DGBDRO CC[C@@H]([NH2+]CCN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000195600385 432629956 /nfs/dbraw/zinc/62/99/56/432629956.db2.gz UNISYZUMHSUALX-QGZVFWFLSA-N 1 0 305.422 3.367 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000195737222 432634590 /nfs/dbraw/zinc/63/45/90/432634590.db2.gz KOKINJXKWSQXFI-MRXNPFEDSA-N 1 0 312.369 3.463 20 5 DGBDRO CC(C)OCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178191184 432703650 /nfs/dbraw/zinc/70/36/50/432703650.db2.gz YEFKHQFWWLUQHT-INIZCTEOSA-N 1 0 306.406 3.321 20 5 DGBDRO CO[C@@H](C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000188133205 432707953 /nfs/dbraw/zinc/70/79/53/432707953.db2.gz QLYMSJHSUUKCAI-SUMWQHHRSA-N 1 0 300.358 3.309 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2C(F)F)cc1[N+](=O)[O-] ZINC000274516116 432677032 /nfs/dbraw/zinc/67/70/32/432677032.db2.gz WXNSQXZJEHCNME-JTQLQIEISA-N 1 0 324.331 3.425 20 5 DGBDRO C[C@H](O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000265262558 432682972 /nfs/dbraw/zinc/68/29/72/432682972.db2.gz ZLVIKVPSVABRFC-NSHDSACASA-N 1 0 306.387 3.184 20 5 DGBDRO C[NH+]1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000266084538 432751337 /nfs/dbraw/zinc/75/13/37/432751337.db2.gz GQXWSXZFDPPGKM-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO COc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1OC ZINC000178647712 432761808 /nfs/dbraw/zinc/76/18/08/432761808.db2.gz GGWAWZNLCTVWFM-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680184 432766822 /nfs/dbraw/zinc/76/68/22/432766822.db2.gz FKRMGNYEACHBSR-KGLIPLIRSA-N 1 0 321.421 3.249 20 5 DGBDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000265771514 432729739 /nfs/dbraw/zinc/72/97/39/432729739.db2.gz MFHMNFRJJSPDBU-MRXNPFEDSA-N 1 0 320.776 3.246 20 5 DGBDRO C[N@H+](Cc1cc(=O)oc2ccc3ccccc3c12)CC(C)(C)O ZINC000267167735 432819469 /nfs/dbraw/zinc/81/94/69/432819469.db2.gz SXVGIXPASVPSTG-UHFFFAOYSA-N 1 0 311.381 3.149 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000267222014 432823523 /nfs/dbraw/zinc/82/35/23/432823523.db2.gz DBRQLSHCNYMSED-OLZOCXBDSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCCSC2)c1 ZINC000267231212 432824753 /nfs/dbraw/zinc/82/47/53/432824753.db2.gz VUBCYNMNDRBXEV-SNVBAGLBSA-N 1 0 318.345 3.181 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277025790 432829049 /nfs/dbraw/zinc/82/90/49/432829049.db2.gz AUROWDHZOOUSDJ-CYBMUJFWSA-N 1 0 311.813 3.164 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000277293882 432835405 /nfs/dbraw/zinc/83/54/05/432835405.db2.gz RLDSFPODLKRWPS-IUODEOHRSA-N 1 0 310.419 3.223 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000266762846 432784486 /nfs/dbraw/zinc/78/44/86/432784486.db2.gz QNTLUNXTZSLTGO-LBPRGKRZSA-N 1 0 300.362 3.259 20 5 DGBDRO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266761222 432784556 /nfs/dbraw/zinc/78/45/56/432784556.db2.gz GRPOERPHRRBDEX-ZBEGNZNMSA-N 1 0 304.321 3.118 20 5 DGBDRO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000266818294 432789713 /nfs/dbraw/zinc/78/97/13/432789713.db2.gz YHRPMPQGZVTVEB-NHYWBVRUSA-N 1 0 306.387 3.215 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)C1 ZINC000266903347 432795473 /nfs/dbraw/zinc/79/54/73/432795473.db2.gz AHBRXMFTBVJWDI-NSHDSACASA-N 1 0 306.362 3.082 20 5 DGBDRO CCOC(CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])OCC ZINC000276471575 432810331 /nfs/dbraw/zinc/81/03/31/432810331.db2.gz DNEFZKYWCPUHPB-AWEZNQCLSA-N 1 0 324.421 3.295 20 5 DGBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000277872647 432876338 /nfs/dbraw/zinc/87/63/38/432876338.db2.gz NMRJFFROOABLMZ-SUMWQHHRSA-N 1 0 323.392 3.461 20 5 DGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000268199317 432855148 /nfs/dbraw/zinc/85/51/48/432855148.db2.gz XHCFEOLMPILLCI-ZBEGNZNMSA-N 1 0 312.373 3.038 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000330650962 432922667 /nfs/dbraw/zinc/92/26/67/432922667.db2.gz JWOOTNOSQIPBAE-STQMWFEESA-N 1 0 305.378 3.105 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331170456 432933602 /nfs/dbraw/zinc/93/36/02/432933602.db2.gz NZFHRXJYHSBVAY-RYUDHWBXSA-N 1 0 310.419 3.319 20 5 DGBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279182094 432942878 /nfs/dbraw/zinc/94/28/78/432942878.db2.gz VQRZMNHHITULEB-MGMHVRNCSA-N 1 0 324.446 3.064 20 5 DGBDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000296323762 432896324 /nfs/dbraw/zinc/89/63/24/432896324.db2.gz GXTCXUKKDUMQRC-BBRMVZONSA-N 1 0 321.421 3.057 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c2nccn21 ZINC000296331500 432897254 /nfs/dbraw/zinc/89/72/54/432897254.db2.gz GHLQPKFLMJLKPM-ZWNOBZJWSA-N 1 0 320.780 3.283 20 5 DGBDRO C[C@H]([NH2+]CCCCC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000278846097 432908325 /nfs/dbraw/zinc/90/83/25/432908325.db2.gz VDXPAMYOYARSLJ-ZDUSSCGKSA-N 1 0 308.378 3.179 20 5 DGBDRO CC[C@@H]([NH2+]CCCSCCOC)c1cccc([N+](=O)[O-])c1 ZINC000278857788 432909644 /nfs/dbraw/zinc/90/96/44/432909644.db2.gz MSTFGUARYDARIV-OAHLLOKOSA-N 1 0 312.435 3.405 20 5 DGBDRO Cc1c(NC(=O)CC[NH+]2CCC(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000330460151 432911205 /nfs/dbraw/zinc/91/12/05/432911205.db2.gz QSDIEHWWYMVNFX-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289480033 432965864 /nfs/dbraw/zinc/96/58/64/432965864.db2.gz IEGFXPLJSZLMJI-SJORKVTESA-N 1 0 316.401 3.437 20 5 DGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289537829 432966415 /nfs/dbraw/zinc/96/64/15/432966415.db2.gz HXMJKLQFKXFNBD-FJVHFBRSSA-N 1 0 315.417 3.167 20 5 DGBDRO C[N@H+](CCCCCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279531981 432979015 /nfs/dbraw/zinc/97/90/15/432979015.db2.gz ZOFVHMDPNDETMQ-UHFFFAOYSA-N 1 0 318.373 3.449 20 5 DGBDRO Cc1cnn([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000289988930 432980285 /nfs/dbraw/zinc/98/02/85/432980285.db2.gz SFYSBRLNNWPAKI-ZIAGYGMSSA-N 1 0 300.362 3.108 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000332377491 433003126 /nfs/dbraw/zinc/00/31/26/433003126.db2.gz YAQFJSCKOOTCSN-UKRRQHHQSA-N 1 0 314.389 3.269 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000280142265 433004973 /nfs/dbraw/zinc/00/49/73/433004973.db2.gz PSIDXQXKRUKNLL-ABAIWWIYSA-N 1 0 300.362 3.057 20 5 DGBDRO C[NH+](C)[C@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000341259871 433009070 /nfs/dbraw/zinc/00/90/70/433009070.db2.gz BNWXPLCGEWYVKL-OAHLLOKOSA-N 1 0 303.337 3.449 20 5 DGBDRO CO[C@@]1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000280380339 433044239 /nfs/dbraw/zinc/04/42/39/433044239.db2.gz LBQNRVWWXQYIMI-INIZCTEOSA-N 1 0 319.361 3.127 20 5 DGBDRO CCOc1cc(C[NH2+][C@H](CC)[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000491805059 433069488 /nfs/dbraw/zinc/06/94/88/433069488.db2.gz FTWKXHOSNFBKTD-HIFRSBDPSA-N 1 0 308.378 3.041 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(OC)CC1 ZINC000419780193 433073262 /nfs/dbraw/zinc/07/32/62/433073262.db2.gz MMBNJCKEWXLFPK-UHFFFAOYSA-N 1 0 308.378 3.041 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1c[nH]c2ncccc12 ZINC000350103713 433079047 /nfs/dbraw/zinc/07/90/47/433079047.db2.gz QHKULIUKDLMDAO-UHFFFAOYSA-N 1 0 310.357 3.112 20 5 DGBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000280579838 433094548 /nfs/dbraw/zinc/09/45/48/433094548.db2.gz WOWIBDCKYGTZMQ-UVMHCMFPSA-N 1 0 304.390 3.233 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCSCC(F)(F)F)c(F)c1 ZINC000350311679 433129769 /nfs/dbraw/zinc/12/97/69/433129769.db2.gz JTNIZSGCNOTNAU-UHFFFAOYSA-N 1 0 312.288 3.119 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CC2CC2)CC2CCC2)c1 ZINC000280684963 433136174 /nfs/dbraw/zinc/13/61/74/433136174.db2.gz HCGWVTVSOZJFIW-QGZVFWFLSA-N 1 0 304.390 3.140 20 5 DGBDRO [NH3+]C[C@H]1CC[C@H](Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420280072 433143887 /nfs/dbraw/zinc/14/38/87/433143887.db2.gz UGUFWOKJJMWTEW-CBAPKCEASA-N 1 0 304.177 3.441 20 5 DGBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420280788 433145339 /nfs/dbraw/zinc/14/53/39/433145339.db2.gz LJFMGZJUHVUHRX-VHSXEESVSA-N 1 0 315.320 3.126 20 5 DGBDRO Cc1cccc(C)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446838964 433114397 /nfs/dbraw/zinc/11/43/97/433114397.db2.gz NUJHGNWXFKXMIH-UHFFFAOYSA-N 1 0 310.357 3.378 20 5 DGBDRO CCc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446835908 433114500 /nfs/dbraw/zinc/11/45/00/433114500.db2.gz NXLWTGCFOYZFAW-UHFFFAOYSA-N 1 0 310.357 3.323 20 5 DGBDRO C[C@H](CCO)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000350247444 433116501 /nfs/dbraw/zinc/11/65/01/433116501.db2.gz KQMDCULFPQUYBN-GFCCVEGCSA-N 1 0 310.369 3.012 20 5 DGBDRO CC(=O)c1cc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000341540082 433121043 /nfs/dbraw/zinc/12/10/43/433121043.db2.gz YSSNBYRVTLDUNB-OLZOCXBDSA-N 1 0 319.405 3.330 20 5 DGBDRO CCC[NH+]1CCC(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447515026 433209784 /nfs/dbraw/zinc/20/97/84/433209784.db2.gz JBKYOXVMTFYSKF-GOSISDBHSA-N 1 0 317.433 3.436 20 5 DGBDRO CC(C)n1cncc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000425377189 433210130 /nfs/dbraw/zinc/21/01/30/433210130.db2.gz GNBLIRPAKLGQPO-UHFFFAOYSA-N 1 0 302.378 3.047 20 5 DGBDRO Cc1ccc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000453445018 433190877 /nfs/dbraw/zinc/19/08/77/433190877.db2.gz ZOMBBLCVYHVKEC-OAHLLOKOSA-N 1 0 313.401 3.452 20 5 DGBDRO CCC[C@@]1(COC)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000447393883 433194602 /nfs/dbraw/zinc/19/46/02/433194602.db2.gz GSOKZUQVWGCJTG-KRWDZBQOSA-N 1 0 322.405 3.255 20 5 DGBDRO CC(C)OCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290932512 433213088 /nfs/dbraw/zinc/21/30/88/433213088.db2.gz SFXGYHGXCFYAFM-UHFFFAOYSA-N 1 0 307.177 3.416 20 5 DGBDRO CC(C)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337330021 433222109 /nfs/dbraw/zinc/22/21/09/433222109.db2.gz FYBYEUXTTDXYLH-AWEZNQCLSA-N 1 0 319.405 3.434 20 5 DGBDRO C[NH+](C)CC(C)(C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000453595905 433226753 /nfs/dbraw/zinc/22/67/53/433226753.db2.gz IIDFPPUGKXEVQL-UHFFFAOYSA-N 1 0 317.389 3.285 20 5 DGBDRO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000280948948 433235454 /nfs/dbraw/zinc/23/54/54/433235454.db2.gz JJLKYTXSHKPTHB-IUODEOHRSA-N 1 0 300.362 3.093 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H](CCO)CC3)c2c1 ZINC000420634955 433235773 /nfs/dbraw/zinc/23/57/73/433235773.db2.gz DQVBFNZZDPJMDB-ZDUSSCGKSA-N 1 0 315.373 3.132 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCCS2)n1 ZINC000447599561 433239653 /nfs/dbraw/zinc/23/96/53/433239653.db2.gz KJQNCGJDVYAOTF-HZSPNIEDSA-N 1 0 324.450 3.150 20 5 DGBDRO COc1ccc(OCC[N@H+](CC2CC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000361571358 433257025 /nfs/dbraw/zinc/25/70/25/433257025.db2.gz KIMWGLPFNAEOAF-UHFFFAOYSA-N 1 0 320.389 3.247 20 5 DGBDRO CCN(CCC[NH+](CC)CC)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000350724598 433265223 /nfs/dbraw/zinc/26/52/23/433265223.db2.gz MGQGBZZCPKGLCA-UHFFFAOYSA-N 1 0 314.817 3.201 20 5 DGBDRO CC(=O)c1ccc(NC[C@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447813414 433287258 /nfs/dbraw/zinc/28/72/58/433287258.db2.gz RRGIVFUHWLQGQA-MRXNPFEDSA-N 1 0 319.405 3.330 20 5 DGBDRO COC(=O)C(C)(C)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000338564957 433306472 /nfs/dbraw/zinc/30/64/72/433306472.db2.gz UMXAVXUCIDYWFO-UHFFFAOYSA-N 1 0 320.389 3.149 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000448023210 433345899 /nfs/dbraw/zinc/34/58/99/433345899.db2.gz SFBDVMZBBMQEFK-RYUDHWBXSA-N 1 0 310.419 3.397 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC000291739087 433330466 /nfs/dbraw/zinc/33/04/66/433330466.db2.gz OSXUYEWMBXGSIH-CQSZACIVSA-N 1 0 315.348 3.102 20 5 DGBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339192606 433428589 /nfs/dbraw/zinc/42/85/89/433428589.db2.gz GTBYHDKTYRZPKL-QPUJVOFHSA-N 1 0 320.336 3.455 20 5 DGBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000425971562 433388600 /nfs/dbraw/zinc/38/86/00/433388600.db2.gz QKVGBIIYKSNRSV-JSGCOSHPSA-N 1 0 316.357 3.058 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421025022 433390452 /nfs/dbraw/zinc/39/04/52/433390452.db2.gz XXKBSCWRLIMAHG-CABCVRRESA-N 1 0 306.406 3.449 20 5 DGBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCCCC1 ZINC000301068477 433402971 /nfs/dbraw/zinc/40/29/71/433402971.db2.gz IAGOULHSMNVABW-OAHLLOKOSA-N 1 0 306.410 3.302 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCSC1 ZINC000448374254 433403719 /nfs/dbraw/zinc/40/37/19/433403719.db2.gz KSVHIXZVBCLGAQ-MRXNPFEDSA-N 1 0 324.446 3.247 20 5 DGBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CCC1CC1 ZINC000355067254 433448196 /nfs/dbraw/zinc/44/81/96/433448196.db2.gz UMOSXGFJRPIOMO-UHFFFAOYSA-N 1 0 308.378 3.104 20 5 DGBDRO COCC[C@H](C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414195888 433452775 /nfs/dbraw/zinc/45/27/75/433452775.db2.gz JLSOPCAQECXOFI-XJKSGUPXSA-N 1 0 306.406 3.178 20 5 DGBDRO COc1cc(NC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000301210735 433453622 /nfs/dbraw/zinc/45/36/22/433453622.db2.gz WNLHLDAMJJEPMM-CYBMUJFWSA-N 1 0 307.394 3.137 20 5 DGBDRO CN(CC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301216391 433453793 /nfs/dbraw/zinc/45/37/93/433453793.db2.gz YNFWSFKXKRPJTR-UHFFFAOYSA-N 1 0 317.311 3.146 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000301210354 433455505 /nfs/dbraw/zinc/45/55/05/433455505.db2.gz WGELBOHGYVAXEB-BETUJISGSA-N 1 0 306.410 3.078 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000355175234 433511949 /nfs/dbraw/zinc/51/19/49/433511949.db2.gz LUPBYRPUMCMURF-HOTGVXAUSA-N 1 0 304.390 3.374 20 5 DGBDRO CC[C@H](C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000421368877 433517380 /nfs/dbraw/zinc/51/73/80/433517380.db2.gz BYYHDMZYQUFWIY-SWLSCSKDSA-N 1 0 302.378 3.053 20 5 DGBDRO CC(=O)c1ccc(N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301357958 433522994 /nfs/dbraw/zinc/52/29/94/433522994.db2.gz PELSGQIALSIYQG-GFCCVEGCSA-N 1 0 307.394 3.186 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000414319703 433537491 /nfs/dbraw/zinc/53/74/91/433537491.db2.gz ZRZHOFKIKVKVDF-DOMZBBRYSA-N 1 0 318.348 3.161 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC1(O)CCC1 ZINC000421391432 433537801 /nfs/dbraw/zinc/53/78/01/433537801.db2.gz UJTKOBPGUKPYFF-SDNWHVSQSA-N 1 0 304.390 3.283 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC000362126968 433538457 /nfs/dbraw/zinc/53/84/57/433538457.db2.gz WUXMXCCEGLUQSU-INIZCTEOSA-N 1 0 315.348 3.240 20 5 DGBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000301278779 433485941 /nfs/dbraw/zinc/48/59/41/433485941.db2.gz JJELBBBGCLTLMP-OAHLLOKOSA-N 1 0 312.373 3.066 20 5 DGBDRO CC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000301281055 433486943 /nfs/dbraw/zinc/48/69/43/433486943.db2.gz PZQLUBZRBFHPRK-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000362031195 433498312 /nfs/dbraw/zinc/49/83/12/433498312.db2.gz ZXBRVCQADGJRFZ-LSDHHAIUSA-N 1 0 314.389 3.144 20 5 DGBDRO Cc1cc(N2CC[C@H](n3cccn3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000292187398 433500873 /nfs/dbraw/zinc/50/08/73/433500873.db2.gz BLWWXKCDFPIWTF-AWEZNQCLSA-N 1 0 323.356 3.099 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426453172 433502459 /nfs/dbraw/zinc/50/24/59/433502459.db2.gz CZTHZTYIVPXWFN-CJNGLKHVSA-N 1 0 317.389 3.106 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000426467606 433505324 /nfs/dbraw/zinc/50/53/24/433505324.db2.gz HIWHRIUIVVVAHR-BBRMVZONSA-N 1 0 317.389 3.106 20 5 DGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000426467609 433505342 /nfs/dbraw/zinc/50/53/42/433505342.db2.gz HIWHRIUIVVVAHR-XJKSGUPXSA-N 1 0 317.389 3.106 20 5 DGBDRO Cc1cnc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301428447 433549450 /nfs/dbraw/zinc/54/94/50/433549450.db2.gz HVCACRVLCQHLLQ-HZSPNIEDSA-N 1 0 306.410 3.077 20 5 DGBDRO Cc1cnc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301428449 433549701 /nfs/dbraw/zinc/54/97/01/433549701.db2.gz HVCACRVLCQHLLQ-MELADBBJSA-N 1 0 306.410 3.077 20 5 DGBDRO COCCN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000362169249 433558309 /nfs/dbraw/zinc/55/83/09/433558309.db2.gz FUPODKKGFXEYNJ-STQMWFEESA-N 1 0 310.369 3.371 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000301492760 433580879 /nfs/dbraw/zinc/58/08/79/433580879.db2.gz QDKYSRGYYBMGJB-ZDUSSCGKSA-N 1 0 305.378 3.106 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000314855577 292890019 /nfs/dbraw/zinc/89/00/19/292890019.db2.gz XWTYXWOFAFYKOP-GFCCVEGCSA-N 1 0 304.321 3.464 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1(CO)CCC1 ZINC000293024451 433610424 /nfs/dbraw/zinc/61/04/24/433610424.db2.gz KRWVZSCGLBGVHD-HNNXBMFYSA-N 1 0 310.369 3.011 20 5 DGBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+](C)C)cc1 ZINC000301672087 433669227 /nfs/dbraw/zinc/66/92/27/433669227.db2.gz ZKIZOVVLBOTSQY-MRXNPFEDSA-N 1 0 314.389 3.321 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283196280 433690379 /nfs/dbraw/zinc/69/03/79/433690379.db2.gz GCATYVZKSSWEKX-DZGCQCFKSA-N 1 0 317.389 3.188 20 5 DGBDRO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301727449 433696151 /nfs/dbraw/zinc/69/61/51/433696151.db2.gz VTWOEKOTEGAMSA-OCCSQVGLSA-N 1 0 323.824 3.477 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000283266388 433700086 /nfs/dbraw/zinc/70/00/86/433700086.db2.gz WKADJBVLAMASDH-OAHLLOKOSA-N 1 0 321.396 3.042 20 5 DGBDRO C[NH+](C)CCc1ccc(Nc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000301731077 433700695 /nfs/dbraw/zinc/70/06/95/433700695.db2.gz DLANPCQWKOFQHB-UHFFFAOYSA-N 1 0 320.780 3.491 20 5 DGBDRO CC(C)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301742336 433702270 /nfs/dbraw/zinc/70/22/70/433702270.db2.gz LTFSGKSRSUTDNH-ZDUSSCGKSA-N 1 0 312.801 3.176 20 5 DGBDRO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000370540695 293178102 /nfs/dbraw/zinc/17/81/02/293178102.db2.gz VYKCCYUNLARAJK-OAHLLOKOSA-N 1 0 314.389 3.282 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cn2c(n1)CCCC2 ZINC000372991509 293248426 /nfs/dbraw/zinc/24/84/26/293248426.db2.gz UJARSTOFJCFJCR-ZDUSSCGKSA-N 1 0 314.389 3.321 20 5 DGBDRO O=C(CC[N@@H+]1CCC[C@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000374292620 293378915 /nfs/dbraw/zinc/37/89/15/293378915.db2.gz NSTICSWJQFVUNR-HNNXBMFYSA-N 1 0 317.389 3.188 20 5 DGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339685305 433729970 /nfs/dbraw/zinc/72/99/70/433729970.db2.gz YEKXQUGIJXALOM-JSGCOSHPSA-N 1 0 317.389 3.044 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)O1 ZINC000351819336 433736254 /nfs/dbraw/zinc/73/62/54/433736254.db2.gz AFQNMABQLQFHFM-CYBMUJFWSA-N 1 0 314.332 3.309 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)C1CCCCC1 ZINC000449345539 433738087 /nfs/dbraw/zinc/73/80/87/433738087.db2.gz WHIBVSALNCIBAK-RHSMWYFYSA-N 1 0 320.433 3.304 20 5 DGBDRO CSc1cccc(-c2nc(C3([NH3+])CCCC3)no2)c1[N+](=O)[O-] ZINC000414618732 433746214 /nfs/dbraw/zinc/74/62/14/433746214.db2.gz NAXJYORASOONAQ-UHFFFAOYSA-N 1 0 320.374 3.095 20 5 DGBDRO CC(C)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000339728553 433750415 /nfs/dbraw/zinc/75/04/15/433750415.db2.gz GJIHKSKPGFMEAZ-OAHLLOKOSA-N 1 0 310.369 3.011 20 5 DGBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(C2([NH3+])CCCC2)no1 ZINC000414630023 433756451 /nfs/dbraw/zinc/75/64/51/433756451.db2.gz SKPWXBMOEOWWMV-ZHACJKMWSA-N 1 0 314.345 3.266 20 5 DGBDRO COCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293506026 433760080 /nfs/dbraw/zinc/76/00/80/433760080.db2.gz NZSOGMIJZRKZPD-UHFFFAOYSA-N 1 0 306.284 3.082 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000301854806 433764240 /nfs/dbraw/zinc/76/42/40/433764240.db2.gz CNACEYPHVIIHGH-CQSZACIVSA-N 1 0 321.421 3.303 20 5 DGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449762513 433773793 /nfs/dbraw/zinc/77/37/93/433773793.db2.gz ITQXHXDOQOICTA-YSVLISHTSA-N 1 0 306.406 3.463 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000449783005 433794160 /nfs/dbraw/zinc/79/41/60/433794160.db2.gz MQJCLIFMTZJUAY-NQADVFLWSA-N 1 0 316.401 3.355 20 5 DGBDRO CC1(C)CCC[N@@H+]1CCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000449784816 433799739 /nfs/dbraw/zinc/79/97/39/433799739.db2.gz YMHHNIIRRVXXMX-YVMONPNESA-N 1 0 303.406 3.072 20 5 DGBDRO Cc1ccc([C@@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000283958480 433807930 /nfs/dbraw/zinc/80/79/30/433807930.db2.gz YSFWKZKZHKYJMB-QGZVFWFLSA-N 1 0 314.389 3.200 20 5 DGBDRO Cc1cc(N2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302161353 433815265 /nfs/dbraw/zinc/81/52/65/433815265.db2.gz JYGAFRWPWCOJSP-UHFFFAOYSA-N 1 0 301.346 3.067 20 5 DGBDRO Cn1cc(-c2ccccc2C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000362676342 433815523 /nfs/dbraw/zinc/81/55/23/433815523.db2.gz LXJRTQZQEDJHOT-UHFFFAOYSA-N 1 0 322.368 3.285 20 5 DGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000343609069 433821648 /nfs/dbraw/zinc/82/16/48/433821648.db2.gz MENIQOBQTCZWLB-DGCLKSJQSA-N 1 0 309.797 3.311 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000351972040 433826892 /nfs/dbraw/zinc/82/68/92/433826892.db2.gz ZMJMLEBRMQLLLQ-CQSZACIVSA-N 1 0 305.422 3.238 20 5 DGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000293691868 433829572 /nfs/dbraw/zinc/82/95/72/433829572.db2.gz LGTMHKKJQOFCBR-KGLIPLIRSA-N 1 0 321.421 3.106 20 5 DGBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000293716070 433841108 /nfs/dbraw/zinc/84/11/08/433841108.db2.gz VDYSWQLPVGXZMV-ZDUSSCGKSA-N 1 0 300.358 3.064 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000302833988 433877839 /nfs/dbraw/zinc/87/78/39/433877839.db2.gz SXHJRICTVSLZRL-IUODEOHRSA-N 1 0 323.824 3.477 20 5 DGBDRO [NH3+]C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000414798523 433843148 /nfs/dbraw/zinc/84/31/48/433843148.db2.gz JKPPZUUPXZIOAO-AWEZNQCLSA-N 1 0 317.414 3.150 20 5 DGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCN(C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433177658 433843344 /nfs/dbraw/zinc/84/33/44/433843344.db2.gz VEGNNHHGDZNVOL-YVEFUNNKSA-N 1 0 315.417 3.144 20 5 DGBDRO CC(C)C1([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000293735084 433846815 /nfs/dbraw/zinc/84/68/15/433846815.db2.gz OSQCRLYWQVVWNX-GFCCVEGCSA-N 1 0 305.378 3.090 20 5 DGBDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000362960449 433930976 /nfs/dbraw/zinc/93/09/76/433930976.db2.gz NSJNNWLKMKSSGR-OAHLLOKOSA-N 1 0 319.405 3.238 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303374114 433932958 /nfs/dbraw/zinc/93/29/58/433932958.db2.gz KVEOAGORFPGMDQ-INIZCTEOSA-N 1 0 320.437 3.467 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000284309043 433880356 /nfs/dbraw/zinc/88/03/56/433880356.db2.gz JGXQPLSFTAEMDA-GDBMZVCRSA-N 1 0 318.417 3.201 20 5 DGBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284309319 433884143 /nfs/dbraw/zinc/88/41/43/433884143.db2.gz ZECAKFSCDQAKMP-ZJUUUORDSA-N 1 0 318.377 3.064 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000302862346 433887435 /nfs/dbraw/zinc/88/74/35/433887435.db2.gz CXOXXKORAGIUAA-CQSZACIVSA-N 1 0 315.348 3.420 20 5 DGBDRO Cc1noc([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000285464865 433956881 /nfs/dbraw/zinc/95/68/81/433956881.db2.gz AKXIXRLCDCIONL-CQSZACIVSA-N 1 0 302.334 3.013 20 5 DGBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294033810 433972456 /nfs/dbraw/zinc/97/24/56/433972456.db2.gz IFTDVSJZBNNNAF-LBPRGKRZSA-N 1 0 320.311 3.110 20 5 DGBDRO CC(C)[C@@]1(CO)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000294051319 433976517 /nfs/dbraw/zinc/97/65/17/433976517.db2.gz PLNDZIOXZDRUJW-MOTZXUDYSA-N 1 0 318.417 3.339 20 5 DGBDRO CC(C)[C@]1(CO)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000294051316 433977479 /nfs/dbraw/zinc/97/74/79/433977479.db2.gz PLNDZIOXZDRUJW-KRZKXXONSA-N 1 0 318.417 3.339 20 5 DGBDRO CC(C)(O)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000393674058 293832572 /nfs/dbraw/zinc/83/25/72/293832572.db2.gz SKVCJIFXWWZJFI-UHFFFAOYSA-N 1 0 300.786 3.135 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000352310021 434040442 /nfs/dbraw/zinc/04/04/42/434040442.db2.gz FMNVEPQGVNWLAL-VNHYZAJKSA-N 1 0 323.462 3.494 20 5 DGBDRO C[C@H]1C[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]1 ZINC000414956167 293894088 /nfs/dbraw/zinc/89/40/88/293894088.db2.gz UZAHKCVTSRQRSD-JSGCOSHPSA-N 1 0 315.373 3.085 20 5 DGBDRO CCC[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305863219 434084493 /nfs/dbraw/zinc/08/44/93/434084493.db2.gz YVBISMWAZHFMRE-ZWKOTPCHSA-N 1 0 314.385 3.435 20 5 DGBDRO CC(C)(C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000308656513 434092421 /nfs/dbraw/zinc/09/24/21/434092421.db2.gz CLCIWXRXKDQRJF-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO COc1ccc(OCC[NH2+][C@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451463324 293954669 /nfs/dbraw/zinc/95/46/69/293954669.db2.gz XGXKZXHOXSCDBH-INIZCTEOSA-N 1 0 320.389 3.295 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1CC(C)C ZINC000500457598 294113860 /nfs/dbraw/zinc/11/38/60/294113860.db2.gz PXQJIYPEVMUNAB-CQSZACIVSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000502832157 294176525 /nfs/dbraw/zinc/17/65/25/294176525.db2.gz GIYKSLQQNDEEAZ-QWHCGFSZSA-N 1 0 305.378 3.010 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000504899211 294224133 /nfs/dbraw/zinc/22/41/33/294224133.db2.gz CHOJHTIYVAEIOK-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO COCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000507161738 294285260 /nfs/dbraw/zinc/28/52/60/294285260.db2.gz SIVHOYACUOCCGM-UHFFFAOYSA-N 1 0 316.357 3.466 20 5 DGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1COC ZINC000353442397 434138629 /nfs/dbraw/zinc/13/86/29/434138629.db2.gz VHASZYAAGQHTLJ-OAHLLOKOSA-N 1 0 321.421 3.418 20 5 DGBDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000286035939 434145722 /nfs/dbraw/zinc/14/57/22/434145722.db2.gz QOKBLTZSFDGCKY-HIFRSBDPSA-N 1 0 322.405 3.119 20 5 DGBDRO Cc1c([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363791580 434150022 /nfs/dbraw/zinc/15/00/22/434150022.db2.gz JWIRHWMUKMFAEY-KKUMJFAQSA-N 1 0 303.406 3.181 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)cc1C(F)(F)F ZINC000314956663 434152650 /nfs/dbraw/zinc/15/26/50/434152650.db2.gz NWPYSDHHPCYYDO-SNVBAGLBSA-N 1 0 315.295 3.262 20 5 DGBDRO C[C@H]1[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CCC[N@@H+]1C ZINC000450442726 434183460 /nfs/dbraw/zinc/18/34/60/434183460.db2.gz TYYSXBGPMXKPOH-FZMZJTMJSA-N 1 0 300.362 3.038 20 5 DGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)CCC[NH+](CC)CC ZINC000319094289 434220675 /nfs/dbraw/zinc/22/06/75/434220675.db2.gz ALGMUSZHBPWIAI-LBPRGKRZSA-N 1 0 311.430 3.042 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000378493398 434201581 /nfs/dbraw/zinc/20/15/81/434201581.db2.gz VBHBVKBEYLWMTF-CYBMUJFWSA-N 1 0 306.753 3.308 20 5 DGBDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1O ZINC000353594564 434255988 /nfs/dbraw/zinc/25/59/88/434255988.db2.gz HHABBIYODCVVFV-GFCCVEGCSA-N 1 0 316.357 3.468 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000353590954 434256284 /nfs/dbraw/zinc/25/62/84/434256284.db2.gz HQOXUIRTJMWXNS-ZDUSSCGKSA-N 1 0 322.405 3.480 20 5 DGBDRO CCC1(CC)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000353610410 434266011 /nfs/dbraw/zinc/26/60/11/434266011.db2.gz UYZAZSWZMCCDNJ-UHFFFAOYSA-N 1 0 320.389 3.473 20 5 DGBDRO COc1cccc(NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000357963104 434268257 /nfs/dbraw/zinc/26/82/57/434268257.db2.gz PJXKVGIDYZUNNU-UHFFFAOYSA-N 1 0 307.394 3.137 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000319798609 434230025 /nfs/dbraw/zinc/23/00/25/434230025.db2.gz IWIIXGOXLNMCST-SWLSCSKDSA-N 1 0 314.341 3.085 20 5 DGBDRO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353568476 434232575 /nfs/dbraw/zinc/23/25/75/434232575.db2.gz JMJAWCHZGRTCJZ-CXAGYDPISA-N 1 0 305.422 3.291 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000437544608 434286124 /nfs/dbraw/zinc/28/61/24/434286124.db2.gz IJRCZDGTAGJMCY-HZPDHXFCSA-N 1 0 322.430 3.334 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423209640 434287718 /nfs/dbraw/zinc/28/77/18/434287718.db2.gz IZTCIOUZNASTLE-UONOGXRCSA-N 1 0 323.462 3.055 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CCC[NH2+]2)c2ccccc2)c1 ZINC000423238203 434302690 /nfs/dbraw/zinc/30/26/90/434302690.db2.gz QVSBFINHDHLKEQ-WMZOPIPTSA-N 1 0 311.385 3.026 20 5 DGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000387249238 434319152 /nfs/dbraw/zinc/31/91/52/434319152.db2.gz DMYNJSJUDKVZSD-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DGBDRO CCC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)COC1 ZINC000417353791 434366421 /nfs/dbraw/zinc/36/64/21/434366421.db2.gz XZAYRECCHARELU-MRXNPFEDSA-N 1 0 304.390 3.379 20 5 DGBDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000518139692 294706989 /nfs/dbraw/zinc/70/69/89/294706989.db2.gz UKCFHJWWAOQKDF-BZUAXINKSA-N 1 0 304.390 3.111 20 5 DGBDRO CO[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000450766982 434395491 /nfs/dbraw/zinc/39/54/91/434395491.db2.gz TZZWQVMXALLQNM-DIFFPNOSSA-N 1 0 315.373 3.313 20 5 DGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@@H]1O ZINC000348559852 434400552 /nfs/dbraw/zinc/40/05/52/434400552.db2.gz UFWLPPHTOLGEFI-HOTGVXAUSA-N 1 0 316.357 3.200 20 5 DGBDRO CC(C)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000438337939 434460711 /nfs/dbraw/zinc/46/07/11/434460711.db2.gz BQUAFYLFSFURRW-CYBMUJFWSA-N 1 0 320.389 3.329 20 5 DGBDRO CCOc1ccc([C@@H](C)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423512066 434467210 /nfs/dbraw/zinc/46/72/10/434467210.db2.gz UMRWFQBNLHFOEV-DOMZBBRYSA-N 1 0 321.421 3.162 20 5 DGBDRO CC(C)[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000360009332 434474315 /nfs/dbraw/zinc/47/43/15/434474315.db2.gz CQAIHWWDHDKOOB-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO CC(C)n1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000341004493 434482864 /nfs/dbraw/zinc/48/28/64/434482864.db2.gz ICMMUPMOCOBEBP-UHFFFAOYSA-N 1 0 316.405 3.485 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1F ZINC000296081432 434501248 /nfs/dbraw/zinc/50/12/48/434501248.db2.gz SLOQZUVDGXGGMT-APHBMKBZSA-N 1 0 320.364 3.171 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000450957586 434502150 /nfs/dbraw/zinc/50/21/50/434502150.db2.gz UKFWLVLPWPBJGY-CQSZACIVSA-N 1 0 314.389 3.062 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000450861830 434450542 /nfs/dbraw/zinc/45/05/42/434450542.db2.gz QDWZJDDLQOTSHX-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451187263 434560398 /nfs/dbraw/zinc/56/03/98/434560398.db2.gz PDEPBNQUMFGEPF-VNHYZAJKSA-N 1 0 314.389 3.095 20 5 DGBDRO [NH3+]CCN(C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000348896810 434545279 /nfs/dbraw/zinc/54/52/79/434545279.db2.gz UFALZWVGRSQFQG-HOTGVXAUSA-N 1 0 311.385 3.164 20 5 DGBDRO Cc1ccc(F)cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348897505 434549007 /nfs/dbraw/zinc/54/90/07/434549007.db2.gz VLOHAIXLANACFE-UHFFFAOYSA-N 1 0 303.337 3.008 20 5 DGBDRO Cc1cc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000408278850 434559570 /nfs/dbraw/zinc/55/95/70/434559570.db2.gz YRZACERHHJBBRD-QLFBSQMISA-N 1 0 318.421 3.140 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000525409138 295014405 /nfs/dbraw/zinc/01/44/05/295014405.db2.gz PJDZVFIBZOVMMV-HOTGVXAUSA-N 1 0 322.405 3.109 20 5 DGBDRO CN(C)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000418112503 434589513 /nfs/dbraw/zinc/58/95/13/434589513.db2.gz HKFGSLQMCJBLJH-UHFFFAOYSA-N 1 0 315.373 3.039 20 5 DGBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000418100705 434585301 /nfs/dbraw/zinc/58/53/01/434585301.db2.gz PEJHOZRMIJATMB-ZDUSSCGKSA-N 1 0 300.786 3.399 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000262379602 295326322 /nfs/dbraw/zinc/32/63/22/295326322.db2.gz YOAUAUSQSFYMHD-CQSZACIVSA-N 1 0 317.776 3.138 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000439659954 434633821 /nfs/dbraw/zinc/63/38/21/434633821.db2.gz WFAWPNGAUFAHNS-QWRGUYRKSA-N 1 0 315.320 3.091 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H](C)c2cncc(F)c2)ccc1[N+](=O)[O-] ZINC000459625708 434636929 /nfs/dbraw/zinc/63/69/29/434636929.db2.gz XZXCEIYJRAXUAK-NSHDSACASA-N 1 0 319.336 3.378 20 5 DGBDRO Cc1ccc(CN(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000418149396 434608067 /nfs/dbraw/zinc/60/80/67/434608067.db2.gz UTIRXAXNHBKNPZ-UHFFFAOYSA-N 1 0 305.422 3.209 20 5 DGBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC(C)(C)C1 ZINC000459745365 434691784 /nfs/dbraw/zinc/69/17/84/434691784.db2.gz SMLSTJNGPFZGAW-UHFFFAOYSA-N 1 0 316.361 3.265 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000459744927 434692420 /nfs/dbraw/zinc/69/24/20/434692420.db2.gz DWQDHEAWDFVPAS-KBPBESRZSA-N 1 0 310.781 3.295 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC1 ZINC000349245215 434649433 /nfs/dbraw/zinc/64/94/33/434649433.db2.gz HDFWFQOFEQINNO-AWEZNQCLSA-N 1 0 323.462 3.151 20 5 DGBDRO CCOc1ccc([C@H](C)NCCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349245971 434649905 /nfs/dbraw/zinc/64/99/05/434649905.db2.gz JDAZABBMOJCBNX-AWEZNQCLSA-N 1 0 323.437 3.374 20 5 DGBDRO Cc1ccc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000354181951 434659002 /nfs/dbraw/zinc/65/90/02/434659002.db2.gz VSHPJCYZZGTARO-INIZCTEOSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@H](C[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000360719992 434675459 /nfs/dbraw/zinc/67/54/59/434675459.db2.gz GJAAJNQKJMDCNB-CQSZACIVSA-N 1 0 316.405 3.344 20 5 DGBDRO [NH3+]C1(c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000424342072 434705557 /nfs/dbraw/zinc/70/55/57/434705557.db2.gz WXBSCLXAQHXZNI-BQYQJAHWSA-N 1 0 314.345 3.266 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459775625 434712599 /nfs/dbraw/zinc/71/25/99/434712599.db2.gz VDZSTJNMPNVGFY-MPTQWLOMSA-N 1 0 317.389 3.090 20 5 DGBDRO CCC[NH+](CCC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411169766 434734429 /nfs/dbraw/zinc/73/44/29/434734429.db2.gz UVXCROSYCSADBZ-UHFFFAOYSA-N 1 0 323.393 3.054 20 5 DGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1c(Cl)cccc1[N+](=O)[O-] ZINC000432158370 297263482 /nfs/dbraw/zinc/26/34/82/297263482.db2.gz VXSFTHSRYMWNDT-VXGBXAGGSA-N 1 0 309.797 3.311 20 5 DGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411548616 434799134 /nfs/dbraw/zinc/79/91/34/434799134.db2.gz FLRAXFZQYJCDNC-UONOGXRCSA-N 1 0 319.405 3.482 20 5 DGBDRO COC[C@@H]1CCCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000372095374 434796810 /nfs/dbraw/zinc/79/68/10/434796810.db2.gz NYAONGACLDFDDG-OAHLLOKOSA-N 1 0 322.405 3.112 20 5 DGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412050176 434862564 /nfs/dbraw/zinc/86/25/64/434862564.db2.gz XQWNREFHQJVKJV-VXGBXAGGSA-N 1 0 305.378 3.042 20 5 DGBDRO C[C@H]1CCC(C)(C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411799911 434830588 /nfs/dbraw/zinc/83/05/88/434830588.db2.gz BTTXFUCSQBCLSW-LBPRGKRZSA-N 1 0 305.378 3.186 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411869585 434836207 /nfs/dbraw/zinc/83/62/07/434836207.db2.gz NCMNQIVCJIPZLU-UHFFFAOYSA-N 1 0 322.430 3.465 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000453275324 434848024 /nfs/dbraw/zinc/84/80/24/434848024.db2.gz LETGHLJQFFNHTB-LBPRGKRZSA-N 1 0 310.394 3.053 20 5 DGBDRO Cc1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000453286450 434848976 /nfs/dbraw/zinc/84/89/76/434848976.db2.gz KTKMLMIDFCCECM-QGZVFWFLSA-N 1 0 311.385 3.409 20 5 DGBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000411968923 434849700 /nfs/dbraw/zinc/84/97/00/434849700.db2.gz KPSLKCVIEYCEMW-RFAUZJTJSA-N 1 0 314.332 3.166 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412042020 434859168 /nfs/dbraw/zinc/85/91/68/434859168.db2.gz MARULWYTVBMSLS-VXGBXAGGSA-N 1 0 305.378 3.042 20 5 DGBDRO Cc1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)c(F)cc1[N+](=O)[O-] ZINC000461950180 434892743 /nfs/dbraw/zinc/89/27/43/434892743.db2.gz TVJZQHOCYVARMF-CYBMUJFWSA-N 1 0 307.369 3.471 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462936547 434936181 /nfs/dbraw/zinc/93/61/81/434936181.db2.gz RMPVOEUPWFQLDU-AWEZNQCLSA-N 1 0 307.369 3.410 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000463014144 434938591 /nfs/dbraw/zinc/93/85/91/434938591.db2.gz UFXPFFSXFKPSPL-CVEARBPZSA-N 1 0 306.406 3.319 20 5 DGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463028260 434940972 /nfs/dbraw/zinc/94/09/72/434940972.db2.gz MGHUBOORUPJSLK-CVEARBPZSA-N 1 0 322.405 3.155 20 5 DGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463029241 434941016 /nfs/dbraw/zinc/94/10/16/434941016.db2.gz OASLTWNSMLMQLT-JKSUJKDBSA-N 1 0 306.406 3.319 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000462833681 434933514 /nfs/dbraw/zinc/93/35/14/434933514.db2.gz MYILXVMSOKDXNG-ZDUSSCGKSA-N 1 0 307.394 3.280 20 5 DGBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000464740277 434995333 /nfs/dbraw/zinc/99/53/33/434995333.db2.gz QATHSECNPFJSMA-HIFRSBDPSA-N 1 0 319.405 3.434 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc2c(c1)COC2 ZINC000579859183 435188396 /nfs/dbraw/zinc/18/83/96/435188396.db2.gz JZUZOCGNJHGMCZ-KRWDZBQOSA-N 1 0 310.353 3.402 20 5 DGBDRO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000532248880 435151603 /nfs/dbraw/zinc/15/16/03/435151603.db2.gz CZBKFVSXHXFFHF-CXAGYDPISA-N 1 0 300.358 3.287 20 5 DGBDRO CCC[NH+](CCC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000532475340 435169165 /nfs/dbraw/zinc/16/91/65/435169165.db2.gz MAJMJZHEOIMTGO-UHFFFAOYSA-N 1 0 304.350 3.267 20 5 DGBDRO C[C@H](C1CC1)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176207451 298258873 /nfs/dbraw/zinc/25/88/73/298258873.db2.gz NBFMNFJUWDNVME-CQSZACIVSA-N 1 0 314.389 3.092 20 5 DGBDRO CC(C)(C)C1=CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000534693103 435295806 /nfs/dbraw/zinc/29/58/06/435295806.db2.gz VMRHDXVJRQGYCV-UHFFFAOYSA-N 1 0 317.389 3.212 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CSCC1CC[NH2+]CC1 ZINC000567810445 435358385 /nfs/dbraw/zinc/35/83/85/435358385.db2.gz XNVJESNZJCLCAD-UHFFFAOYSA-N 1 0 300.811 3.481 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2CCCC[C@@H]2O)C2CC2)c1 ZINC000514605708 435424620 /nfs/dbraw/zinc/42/46/20/435424620.db2.gz OPKQZNRSCASVPV-PBHICJAKSA-N 1 0 304.390 3.110 20 5 DGBDRO CC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000537687203 435464068 /nfs/dbraw/zinc/46/40/68/435464068.db2.gz DYGCNSIORZFBST-JTQLQIEISA-N 1 0 300.305 3.428 20 5 DGBDRO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000537834007 435470586 /nfs/dbraw/zinc/47/05/86/435470586.db2.gz KFRPXAYKQQSWGD-UHFFFAOYSA-N 1 0 317.336 3.340 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOc1ncccc1F ZINC000537946492 435475499 /nfs/dbraw/zinc/47/54/99/435475499.db2.gz HVGFFTJUPWENCP-GFCCVEGCSA-N 1 0 319.336 3.167 20 5 DGBDRO CC[C@@H](C[N@H+](CC)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000481682890 435438184 /nfs/dbraw/zinc/43/81/84/435438184.db2.gz BGTWQYPVWVVPKM-HNNXBMFYSA-N 1 0 316.405 3.307 20 5 DGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000539048878 435536353 /nfs/dbraw/zinc/53/63/53/435536353.db2.gz WRSDLRJKGZMNNW-GXTWGEPZSA-N 1 0 319.405 3.480 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000516024371 435511988 /nfs/dbraw/zinc/51/19/88/435511988.db2.gz SFQJFXJLDXFEMD-QIIPPGSGSA-N 1 0 317.433 3.435 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000516024370 435512011 /nfs/dbraw/zinc/51/20/11/435512011.db2.gz SFQJFXJLDXFEMD-DDUZABMNSA-N 1 0 317.433 3.435 20 5 DGBDRO CCC[C@@]1(CO)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000569392524 435529302 /nfs/dbraw/zinc/52/93/02/435529302.db2.gz OKPUUFPZANKHMM-QWSHFYNQSA-N 1 0 318.417 3.483 20 5 DGBDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000396 435492083 /nfs/dbraw/zinc/49/20/83/435492083.db2.gz IEHFPIUDYKKNMA-JKIFEVAISA-N 1 0 317.433 3.292 20 5 DGBDRO Cc1nc(C)c(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000515670519 435496920 /nfs/dbraw/zinc/49/69/20/435496920.db2.gz OLDGGKADZUSJBG-CYBMUJFWSA-N 1 0 303.387 3.445 20 5 DGBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000539490910 435554303 /nfs/dbraw/zinc/55/43/03/435554303.db2.gz IHRWHBABFRWQLX-CQSZACIVSA-N 1 0 307.394 3.256 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000539094358 435540746 /nfs/dbraw/zinc/54/07/46/435540746.db2.gz WUHYPDCMWSTZER-GFCCVEGCSA-N 1 0 304.321 3.464 20 5 DGBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000540646499 435611394 /nfs/dbraw/zinc/61/13/94/435611394.db2.gz OMKCUWSDZXJYPT-STQMWFEESA-N 1 0 314.389 3.346 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000570276841 435604664 /nfs/dbraw/zinc/60/46/64/435604664.db2.gz USTAUSXPWMTUEP-DOTOQJQBSA-N 1 0 304.390 3.028 20 5 DGBDRO CCOc1cccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000571218330 435689186 /nfs/dbraw/zinc/68/91/86/435689186.db2.gz NFXDHOHPHLUWMK-VXGBXAGGSA-N 1 0 305.378 3.031 20 5 DGBDRO C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292359431 300299110 /nfs/dbraw/zinc/29/91/10/300299110.db2.gz RHAOHWREQZBERZ-GFCCVEGCSA-N 1 0 307.369 3.045 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cnc2n1CCCC2 ZINC000551566136 435843407 /nfs/dbraw/zinc/84/34/07/435843407.db2.gz YXOIIHJGHYZSAX-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572900434 435880244 /nfs/dbraw/zinc/88/02/44/435880244.db2.gz DYNKCQLLENXMRC-WMLDXEAASA-N 1 0 317.433 3.292 20 5 DGBDRO COc1ccccc1OCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000531692439 313481302 /nfs/dbraw/zinc/48/13/02/313481302.db2.gz UOUHCAVCGVUYCM-CYBMUJFWSA-N 1 0 316.357 3.333 20 5 DGBDRO CC(C)[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000538451215 313863563 /nfs/dbraw/zinc/86/35/63/313863563.db2.gz JOIGNSHMBBWXFH-UJFJBFGSSA-N 1 0 304.390 3.401 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000542320531 314070602 /nfs/dbraw/zinc/07/06/02/314070602.db2.gz SVQJEBBQNCGAFN-ZDUSSCGKSA-N 1 0 319.405 3.210 20 5 DGBDRO CC(C)n1cc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000542573320 314085600 /nfs/dbraw/zinc/08/56/00/314085600.db2.gz HHQICHMFPZKFAZ-CYBMUJFWSA-N 1 0 318.377 3.102 20 5 DGBDRO Cc1ccc(C[N@H+](C)CCc2ccccc2O)cc1[N+](=O)[O-] ZINC000543411970 314132256 /nfs/dbraw/zinc/13/22/56/314132256.db2.gz DQYUDQRPDYIHSO-UHFFFAOYSA-N 1 0 300.358 3.283 20 5 DGBDRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000543455021 314136413 /nfs/dbraw/zinc/13/64/13/314136413.db2.gz PMWWJXGPDVMUDB-SNVBAGLBSA-N 1 0 314.345 3.238 20 5 DGBDRO CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000544613444 314203091 /nfs/dbraw/zinc/20/30/91/314203091.db2.gz GZEDDCRMKOHIKZ-ZDUSSCGKSA-N 1 0 322.796 3.265 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000550895622 314544797 /nfs/dbraw/zinc/54/47/97/314544797.db2.gz PPKIVJHVGLZRKJ-CZUORRHYSA-N 1 0 306.406 3.434 20 5 DGBDRO CC(=O)c1cc(N[C@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000553414370 314643364 /nfs/dbraw/zinc/64/33/64/314643364.db2.gz VTJUJGCMVHGDBG-GFCCVEGCSA-N 1 0 307.394 3.186 20 5 DGBDRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000558718050 314861325 /nfs/dbraw/zinc/86/13/25/314861325.db2.gz GGXCVOCYSXLPIR-XJKSGUPXSA-N 1 0 315.373 3.392 20 5 DGBDRO C[C@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000564225105 315163475 /nfs/dbraw/zinc/16/34/75/315163475.db2.gz CPUNSEYWJIKLHG-KBAYOESNSA-N 1 0 316.401 3.377 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000564374594 315172603 /nfs/dbraw/zinc/17/26/03/315172603.db2.gz XZWDEVIFJMMDGC-CYBMUJFWSA-N 1 0 322.409 3.145 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000564573502 315183595 /nfs/dbraw/zinc/18/35/95/315183595.db2.gz BMRDDQHIPKCMPF-NSHDSACASA-N 1 0 313.373 3.275 20 5 DGBDRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564853921 315205751 /nfs/dbraw/zinc/20/57/51/315205751.db2.gz HWPGXXYOUZONIA-ZIAGYGMSSA-N 1 0 324.421 3.139 20 5 DGBDRO CC(C)C[C@@H](CCO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217780 315242694 /nfs/dbraw/zinc/24/26/94/315242694.db2.gz MYKQCROJFPDGQX-CZUORRHYSA-N 1 0 306.406 3.216 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000565551349 315270476 /nfs/dbraw/zinc/27/04/76/315270476.db2.gz YPTDCVGPHDSNEG-UHFFFAOYSA-N 1 0 307.394 3.352 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2sccc2Cl)cc1 ZINC000565986234 315301715 /nfs/dbraw/zinc/30/17/15/315301715.db2.gz FMGZRXNHIIIQNH-UHFFFAOYSA-N 1 0 312.778 3.478 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)C1CCCCC1 ZINC000566475990 315350993 /nfs/dbraw/zinc/35/09/93/315350993.db2.gz RRPAKQKZQXSECA-RDJZCZTQSA-N 1 0 304.390 3.113 20 5 DGBDRO Cc1ccc(C[NH2+]Cc2ccc3cnn(C)c3c2)cc1[N+](=O)[O-] ZINC000569299282 315570979 /nfs/dbraw/zinc/57/09/79/315570979.db2.gz BNECHVAYYYAGAZ-UHFFFAOYSA-N 1 0 310.357 3.080 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCC2(C)C)cccc1[N+](=O)[O-] ZINC000571222530 315705447 /nfs/dbraw/zinc/70/54/47/315705447.db2.gz GLASGZFREIOCLQ-CQSZACIVSA-N 1 0 305.378 3.010 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCc1nccs1 ZINC000574171237 315939561 /nfs/dbraw/zinc/93/95/61/315939561.db2.gz LKLYNDITZLIJBV-ZDUSSCGKSA-N 1 0 303.387 3.261 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCC1CC[NH2+]CC1 ZINC000576212870 316106549 /nfs/dbraw/zinc/10/65/49/316106549.db2.gz CTNZFMIBKVGJDJ-UHFFFAOYSA-N 1 0 304.177 3.313 20 5 DGBDRO COc1cc(C[N@H+](C)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000576343546 316119988 /nfs/dbraw/zinc/11/99/88/316119988.db2.gz UYDDSUSXBMLNPR-UHFFFAOYSA-N 1 0 318.320 3.435 20 5 DGBDRO CC(C)(CO)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000576907899 316180808 /nfs/dbraw/zinc/18/08/08/316180808.db2.gz RXYDNFJRPSHHLE-QGZVFWFLSA-N 1 0 314.385 3.444 20 5 DGBDRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000576982870 316189185 /nfs/dbraw/zinc/18/91/85/316189185.db2.gz BXVHQXLGEROUJW-IATRGZMQSA-N 1 0 319.405 3.336 20 5 DGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000181695463 323264758 /nfs/dbraw/zinc/26/47/58/323264758.db2.gz WQWRQDYVGUCXPK-CVEARBPZSA-N 1 0 320.389 3.041 20 5 DGBDRO CCSc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000182113727 323284032 /nfs/dbraw/zinc/28/40/32/323284032.db2.gz UGDMCAKYUYSFIW-LBPRGKRZSA-N 1 0 320.418 3.254 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCCO1 ZINC000182331068 323293637 /nfs/dbraw/zinc/29/36/37/323293637.db2.gz PDHSDWGZBLDUKS-RDJZCZTQSA-N 1 0 322.405 3.429 20 5 DGBDRO C[C@@H](NCC1(C[NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000183952667 323352083 /nfs/dbraw/zinc/35/20/83/323352083.db2.gz TWUYJLOERRGPLQ-CQSZACIVSA-N 1 0 305.422 3.367 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2cccc(OCC)c2[N+](=O)[O-])C1 ZINC000184077578 323354531 /nfs/dbraw/zinc/35/45/31/323354531.db2.gz QSBMRYBNXGLIRP-CYBMUJFWSA-N 1 0 307.394 3.137 20 5 DGBDRO COc1ccc(C[NH2+]CCc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000190291467 323441612 /nfs/dbraw/zinc/44/16/12/323441612.db2.gz WDNPRFZPQIGNEB-UHFFFAOYSA-N 1 0 322.311 3.214 20 5 DGBDRO CC[C@@H](C)[C@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)OC ZINC000381108677 323614052 /nfs/dbraw/zinc/61/40/52/323614052.db2.gz BPPVORXIIJJSTF-DIFFPNOSSA-N 1 0 317.389 3.346 20 5 DGBDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000381161222 323614107 /nfs/dbraw/zinc/61/41/07/323614107.db2.gz NSMBKILZWLQJST-HZMBPMFUSA-N 1 0 300.786 3.399 20 5 DGBDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000583178479 324321857 /nfs/dbraw/zinc/32/18/57/324321857.db2.gz YCIPVHSGVOPALX-QGZVFWFLSA-N 1 0 316.357 3.202 20 5 DGBDRO CCCC[C@@H](C)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000584558904 337361117 /nfs/dbraw/zinc/36/11/17/337361117.db2.gz QXXOJHVAXKRHIZ-CYBMUJFWSA-N 1 0 310.394 3.493 20 5 DGBDRO CCCC[C@H](C)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000584558905 337361148 /nfs/dbraw/zinc/36/11/48/337361148.db2.gz QXXOJHVAXKRHIZ-ZDUSSCGKSA-N 1 0 310.394 3.493 20 5 DGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C2CC2)c1 ZINC000294734227 533877184 /nfs/dbraw/zinc/87/71/84/533877184.db2.gz KXTFEUCPHVIVNC-LBPRGKRZSA-N 1 0 300.362 3.020 20 5 DGBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000331360169 533921965 /nfs/dbraw/zinc/92/19/65/533921965.db2.gz XMIWMNIEGWASRW-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000292877713 533937824 /nfs/dbraw/zinc/93/78/24/533937824.db2.gz XFVJDEPZTOATOF-MRXNPFEDSA-N 1 0 304.390 3.152 20 5 DGBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000443657112 534032121 /nfs/dbraw/zinc/03/21/21/534032121.db2.gz QOTMQMTUUUNJGM-KGLIPLIRSA-N 1 0 319.405 3.291 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000430092421 534084969 /nfs/dbraw/zinc/08/49/69/534084969.db2.gz ZXSFWGSZYLRZNQ-MRXNPFEDSA-N 1 0 306.406 3.180 20 5 DGBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429573766 534246995 /nfs/dbraw/zinc/24/69/95/534246995.db2.gz BWDHZGKQMUOCLQ-RISCZKNCSA-N 1 0 316.361 3.265 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000298121435 534343110 /nfs/dbraw/zinc/34/31/10/534343110.db2.gz BSSYLAVWLYUNAB-FRRDWIJNSA-N 1 0 305.378 3.103 20 5 DGBDRO O=C(CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000177573814 534417005 /nfs/dbraw/zinc/41/70/05/534417005.db2.gz HUNAFENRMXOYMH-OKILXGFUSA-N 1 0 317.389 3.045 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H]1CO ZINC000190871543 524983375 /nfs/dbraw/zinc/98/33/75/524983375.db2.gz ORRMIVSTXDXEMQ-CJNGLKHVSA-N 1 0 323.392 3.006 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCN1CCc3ccccc31)CC2 ZINC000428244220 534883929 /nfs/dbraw/zinc/88/39/29/534883929.db2.gz CVDFDJRCXDBMGF-UHFFFAOYSA-N 1 0 323.396 3.016 20 5 DGBDRO CC(=O)c1cc(NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000413343215 527215997 /nfs/dbraw/zinc/21/59/97/527215997.db2.gz AIUKFPHYVGQFDN-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000157344441 527414752 /nfs/dbraw/zinc/41/47/52/527414752.db2.gz DNQPALMBTQSELP-UHFFFAOYSA-N 1 0 322.368 3.171 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC000430228610 527800605 /nfs/dbraw/zinc/80/06/05/527800605.db2.gz SNAYPAQKXWJHRP-HZPDHXFCSA-N 1 0 322.405 3.239 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC000430228608 528073217 /nfs/dbraw/zinc/07/32/17/528073217.db2.gz SNAYPAQKXWJHRP-CVEARBPZSA-N 1 0 322.405 3.239 20 5 DGBDRO CC1=CC[N@H+](CCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000302182616 528118527 /nfs/dbraw/zinc/11/85/27/528118527.db2.gz ZIOLPXNTZBSGGL-UHFFFAOYSA-N 1 0 312.373 3.207 20 5 DGBDRO CC[NH+](CC)Cc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000296680040 528190879 /nfs/dbraw/zinc/19/08/79/528190879.db2.gz ICHCOYHTXGBNMT-UHFFFAOYSA-N 1 0 321.421 3.302 20 5 DGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430640508 528211031 /nfs/dbraw/zinc/21/10/31/528211031.db2.gz QZSTWBICSOWQDC-CZUORRHYSA-N 1 0 321.421 3.084 20 5 DGBDRO CCCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000441203511 528439990 /nfs/dbraw/zinc/43/99/90/528439990.db2.gz OSKGHCKUORQVCW-UHFFFAOYSA-N 1 0 308.378 3.247 20 5 DGBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000441285278 528574282 /nfs/dbraw/zinc/57/42/82/528574282.db2.gz LPWKKSILHSHNGQ-ZDUSSCGKSA-N 1 0 310.394 3.349 20 5 DGBDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000434616519 528641921 /nfs/dbraw/zinc/64/19/21/528641921.db2.gz QHROMTGALVNWEM-INIZCTEOSA-N 1 0 320.368 3.260 20 5 DGBDRO CCOc1cccc(NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000302091697 528674166 /nfs/dbraw/zinc/67/41/66/528674166.db2.gz PWSDSJMWBCFDHM-UHFFFAOYSA-N 1 0 307.394 3.281 20 5 DGBDRO CC/C=C/C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000294912408 528786830 /nfs/dbraw/zinc/78/68/30/528786830.db2.gz AFZZLTNRAWVUQZ-SNAWJCMRSA-N 1 0 300.362 3.051 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301760552 529015765 /nfs/dbraw/zinc/01/57/65/529015765.db2.gz BBNKMJALPQLZEW-NSHDSACASA-N 1 0 313.348 3.405 20 5 DGBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433115054 529263663 /nfs/dbraw/zinc/26/36/63/529263663.db2.gz HOCPBORWRJYYDT-KNXALSJPSA-N 1 0 306.406 3.314 20 5 DGBDRO CCC(CC)[C@@H](O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468655123 535119568 /nfs/dbraw/zinc/11/95/68/535119568.db2.gz GZVUDAFAVRITHM-VEMDQMBVSA-N 1 0 306.406 3.385 20 5 DGBDRO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000470174694 535765102 /nfs/dbraw/zinc/76/51/02/535765102.db2.gz MRXWRHQUXQVIFQ-QXSWTLKVSA-N 1 0 304.390 3.499 20 5 DGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000471552969 536181641 /nfs/dbraw/zinc/18/16/41/536181641.db2.gz WTLKYBASBVKDHB-ZDUSSCGKSA-N 1 0 323.824 3.416 20 5 DGBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000451623198 536646856 /nfs/dbraw/zinc/64/68/56/536646856.db2.gz JZMYRARYMBRWJD-GDBMZVCRSA-N 1 0 308.378 3.039 20 5 DGBDRO COc1cc(C)ccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000449166334 536652160 /nfs/dbraw/zinc/65/21/60/536652160.db2.gz CIVIMKFPRFRBMY-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO COC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000449179021 536877716 /nfs/dbraw/zinc/87/77/16/536877716.db2.gz UXUCENYGBWDTIY-WFASDCNBSA-N 1 0 318.373 3.405 20 5 DGBDRO CC[C@@H](C)[C@@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)OC ZINC000381108681 546738269 /nfs/dbraw/zinc/73/82/69/546738269.db2.gz BPPVORXIIJJSTF-PIGZYNQJSA-N 1 0 317.389 3.346 20 5 DGBDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000594040339 547030714 /nfs/dbraw/zinc/03/07/14/547030714.db2.gz DTHLMBPWNRROSO-AWEZNQCLSA-N 1 0 308.378 3.051 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2noc(CCCC[NH+]3CCCC3)n2)c1 ZINC000733739993 574636028 /nfs/dbraw/zinc/63/60/28/574636028.db2.gz GJHIETOWCVKRKI-UHFFFAOYSA-N 1 0 316.361 3.063 20 5 DGBDRO COC(=O)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000735493821 574704066 /nfs/dbraw/zinc/70/40/66/574704066.db2.gz RFWBEBXCUVYNGF-UHFFFAOYSA-N 1 0 314.769 3.022 20 5 DGBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000740870591 574944189 /nfs/dbraw/zinc/94/41/89/574944189.db2.gz FZOHFTGYDILELK-DOMZBBRYSA-N 1 0 319.405 3.106 20 5 DGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000740887030 574944903 /nfs/dbraw/zinc/94/49/03/574944903.db2.gz OMUQQLZYYFJLIF-CABCVRRESA-N 1 0 310.369 3.369 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000742426261 574999304 /nfs/dbraw/zinc/99/93/04/574999304.db2.gz MGXKZZPGPTZAMP-LBPRGKRZSA-N 1 0 320.418 3.125 20 5 DGBDRO C[NH+](C)CC(C)(C)CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000743359350 575046161 /nfs/dbraw/zinc/04/61/61/575046161.db2.gz SCCPVFMHZHXSIX-UHFFFAOYSA-N 1 0 308.407 3.204 20 5 DGBDRO Cc1cccc2c1CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000729479091 575251876 /nfs/dbraw/zinc/25/18/76/575251876.db2.gz FQFUQKZWQWXAQJ-UHFFFAOYSA-N 1 0 312.369 3.340 20 5 DGBDRO CC[C@H](C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000744361479 575338643 /nfs/dbraw/zinc/33/86/43/575338643.db2.gz MCBBWRWECNRQJQ-SWLSCSKDSA-N 1 0 308.378 3.319 20 5 DGBDRO CC(C)C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000744437098 575342250 /nfs/dbraw/zinc/34/22/50/575342250.db2.gz GQDNCFHORKHXKN-ZDUSSCGKSA-N 1 0 302.378 3.270 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000746045549 575428049 /nfs/dbraw/zinc/42/80/49/575428049.db2.gz NWXXUAJUNSHSLU-QLJPJBMISA-N 1 0 322.311 3.257 20 5 DGBDRO CC(C)C[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746651604 575466010 /nfs/dbraw/zinc/46/60/10/575466010.db2.gz COKHYBDJWCKXRR-UHFFFAOYSA-N 1 0 311.813 3.022 20 5 DGBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(C3CCCCC3)CC2)c1 ZINC000746658566 575467206 /nfs/dbraw/zinc/46/72/06/575467206.db2.gz PEVGLCNPKXPQQC-UHFFFAOYSA-N 1 0 306.410 3.084 20 5 DGBDRO CCc1ccc(C(=O)OCCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000747764199 575540156 /nfs/dbraw/zinc/54/01/56/575540156.db2.gz QDJVQZMKVMCHMA-UHFFFAOYSA-N 1 0 308.378 3.046 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000749279135 575641434 /nfs/dbraw/zinc/64/14/34/575641434.db2.gz DXAQQZZQHQLMDT-WDEREUQCSA-N 1 0 320.418 3.489 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000749559006 575665110 /nfs/dbraw/zinc/66/51/10/575665110.db2.gz KPGHKJPTFATLHE-OLZOCXBDSA-N 1 0 324.808 3.497 20 5 DGBDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749675435 575671769 /nfs/dbraw/zinc/67/17/69/575671769.db2.gz LFNRZSSXRFVUOH-RDTXWAMCSA-N 1 0 314.385 3.157 20 5 DGBDRO CCc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000749678343 575671843 /nfs/dbraw/zinc/67/18/43/575671843.db2.gz RLGAQSLUUPJQOD-OAHLLOKOSA-N 1 0 306.387 3.042 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000749676392 575671853 /nfs/dbraw/zinc/67/18/53/575671853.db2.gz MTTCOGMXGHCRGL-KRWDZBQOSA-N 1 0 300.358 3.035 20 5 DGBDRO CCC1(C)CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749944423 575690663 /nfs/dbraw/zinc/69/06/63/575690663.db2.gz DHWAAKUIOATYKU-UHFFFAOYSA-N 1 0 317.393 3.118 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000725847452 575929272 /nfs/dbraw/zinc/92/92/72/575929272.db2.gz LWURZPYWMZGILT-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CC1(C)C ZINC000852771284 620646941 /nfs/dbraw/zinc/64/69/41/620646941.db2.gz DCSBQKPGIWLWNM-LLVKDONJSA-N 1 0 323.368 3.040 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000852787882 620648806 /nfs/dbraw/zinc/64/88/06/620648806.db2.gz QIQYWJRRBIPMJB-JQFCIGGWSA-N 1 0 304.390 3.283 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC2(CC[NH2+]C2)CC1 ZINC000853016131 620660520 /nfs/dbraw/zinc/66/05/20/620660520.db2.gz OZXCGOGAEGVHCW-UHFFFAOYSA-N 1 0 311.332 3.112 20 5 DGBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000853123297 620671766 /nfs/dbraw/zinc/67/17/66/620671766.db2.gz YGCCCNLGKZURCN-CXAGYDPISA-N 1 0 306.406 3.434 20 5 DGBDRO Nc1ccc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000804683709 617650874 /nfs/dbraw/zinc/65/08/74/617650874.db2.gz VXSOMMCJLOCARV-OAHLLOKOSA-N 1 0 318.421 3.386 20 5 DGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804811877 617675048 /nfs/dbraw/zinc/67/50/48/617675048.db2.gz BGTBEERUBMIWIU-AAEUAGOBSA-N 1 0 309.797 3.311 20 5 DGBDRO Cc1ccc(-c2noc(C[C@@H](C[NH3+])CC(C)C)n2)cc1[N+](=O)[O-] ZINC000854136479 620773638 /nfs/dbraw/zinc/77/36/38/620773638.db2.gz DTVVVUUIUALCTE-LBPRGKRZSA-N 1 0 318.377 3.117 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854227522 620786456 /nfs/dbraw/zinc/78/64/56/620786456.db2.gz UWBJWEMJRLENOR-QFYYESIMSA-N 1 0 312.373 3.097 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccnn1C1CCC1 ZINC000894390800 618304082 /nfs/dbraw/zinc/30/40/82/618304082.db2.gz JVMBCNFFMFPZCF-UHFFFAOYSA-N 1 0 314.389 3.191 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000893044181 618402449 /nfs/dbraw/zinc/40/24/49/618402449.db2.gz GUQZTSFHPKEFLW-UHFFFAOYSA-N 1 0 321.421 3.062 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1C[C@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000893278773 618494456 /nfs/dbraw/zinc/49/44/56/618494456.db2.gz JHZZEKNARBELHL-KWBADKCTSA-N 1 0 313.195 3.419 20 5 DGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000895088751 618534457 /nfs/dbraw/zinc/53/44/57/618534457.db2.gz SBIZVQQOOZYQBT-AAEUAGOBSA-N 1 0 306.362 3.074 20 5 DGBDRO Cc1cc(F)ncc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893402663 618546754 /nfs/dbraw/zinc/54/67/54/618546754.db2.gz OCKOMFWEEYMTIR-UHFFFAOYSA-N 1 0 323.755 3.423 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1CSC1 ZINC000895421820 618783200 /nfs/dbraw/zinc/78/32/00/618783200.db2.gz IRXRWVQAMDBIFT-UHFFFAOYSA-N 1 0 307.202 3.354 20 5 DGBDRO CC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(F)(F)C1 ZINC000895533556 618795421 /nfs/dbraw/zinc/79/54/21/618795421.db2.gz YOYBUVCKTIBPEP-UHFFFAOYSA-N 1 0 311.288 3.261 20 5 DGBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000895783851 618830597 /nfs/dbraw/zinc/83/05/97/618830597.db2.gz CUMIBCCTYGKUDG-RSLMWUCJSA-N 1 0 301.346 3.118 20 5 DGBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000896796379 618960484 /nfs/dbraw/zinc/96/04/84/618960484.db2.gz BRFSULNKQUAAQL-LMWSTFAQSA-N 1 0 318.352 3.293 20 5 DGBDRO C[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000896951786 618992928 /nfs/dbraw/zinc/99/29/28/618992928.db2.gz LUGPNBMLTJQNLK-UWVGGRQHSA-N 1 0 307.375 3.110 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3c2OCC3)cc1Cl ZINC000897207284 619028985 /nfs/dbraw/zinc/02/89/85/619028985.db2.gz ZVNJDGDFPFYXLP-UHFFFAOYSA-N 1 0 318.760 3.473 20 5 DGBDRO CCON1CCC([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000925231070 619087163 /nfs/dbraw/zinc/08/71/63/619087163.db2.gz RJZDLBCOKZXETL-MRXNPFEDSA-N 1 0 307.394 3.051 20 5 DGBDRO C[C@H](C[NH2+]Cc1nccn1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897461080 619130154 /nfs/dbraw/zinc/13/01/54/619130154.db2.gz YMXDVXKSBCYUPM-GFCCVEGCSA-N 1 0 300.362 3.020 20 5 DGBDRO CC(C)n1ccnc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460301 619130349 /nfs/dbraw/zinc/13/03/49/619130349.db2.gz GYMSUHYDHUFSMN-ZDUSSCGKSA-N 1 0 302.378 3.266 20 5 DGBDRO CCn1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000897460169 619130390 /nfs/dbraw/zinc/13/03/90/619130390.db2.gz QVFUQHDNNRZHCM-LBPRGKRZSA-N 1 0 302.378 3.013 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccc(O)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000897464639 619130648 /nfs/dbraw/zinc/13/06/48/619130648.db2.gz NJSOVSVYDIJATJ-NSHDSACASA-N 1 0 304.321 3.333 20 5 DGBDRO C[C@H](C[NH2+]C[C@@H]1CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000897461855 619130666 /nfs/dbraw/zinc/13/06/66/619130666.db2.gz ZGBQNFYPOKJDFS-ZJUUUORDSA-N 1 0 303.189 3.482 20 5 DGBDRO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000897469133 619131571 /nfs/dbraw/zinc/13/15/71/619131571.db2.gz DRFAFHGBUBIVCC-SNVBAGLBSA-N 1 0 321.358 3.458 20 5 DGBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000897469957 619131862 /nfs/dbraw/zinc/13/18/62/619131862.db2.gz UUULLEBEVFPVEP-LBPRGKRZSA-N 1 0 315.329 3.396 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897511902 619141988 /nfs/dbraw/zinc/14/19/88/619141988.db2.gz QQLAONULNXFXAJ-ZFWWWQNUSA-N 1 0 310.781 3.295 20 5 DGBDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000897525538 619148468 /nfs/dbraw/zinc/14/84/68/619148468.db2.gz PIYICSKISYXUPN-CYBMUJFWSA-N 1 0 320.311 3.168 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(C2CCC2)c1 ZINC000925314661 619164381 /nfs/dbraw/zinc/16/43/81/619164381.db2.gz URCRJQQYDYEAJF-LBPRGKRZSA-N 1 0 300.362 3.367 20 5 DGBDRO CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC2(CC1)OCCO2 ZINC000897719456 619176309 /nfs/dbraw/zinc/17/63/09/619176309.db2.gz AVUNPUXFHNYNGG-UHFFFAOYSA-N 1 0 320.389 3.008 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897774808 619179179 /nfs/dbraw/zinc/17/91/79/619179179.db2.gz VKJZJBFOWQOGRH-MKQDKFQKSA-N 1 0 304.390 3.259 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)CC2)cc1 ZINC000897955737 619198651 /nfs/dbraw/zinc/19/86/51/619198651.db2.gz YASPRPJWFPBZAF-MORSLUCNSA-N 1 0 315.417 3.342 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CC(CCO)C1 ZINC000898010783 619202094 /nfs/dbraw/zinc/20/20/94/619202094.db2.gz LIFQRIVJIOWIIQ-VVBDHPJYSA-N 1 0 318.417 3.057 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC([NH2+]C2CCC2)CC1 ZINC000897981865 619203048 /nfs/dbraw/zinc/20/30/48/619203048.db2.gz SPVFNPFPIURVCQ-GQCTYLIASA-N 1 0 315.417 3.215 20 5 DGBDRO Cc1ccc(CN2CCC([NH2+]C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000897985866 619203261 /nfs/dbraw/zinc/20/32/61/619203261.db2.gz SKCAWWXGRRCDMJ-UHFFFAOYSA-N 1 0 303.406 3.010 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000898381924 619240472 /nfs/dbraw/zinc/24/04/72/619240472.db2.gz OWBAHKVGQYJDEN-LECJYJLPSA-N 1 0 302.374 3.013 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000898381926 619240532 /nfs/dbraw/zinc/24/05/32/619240532.db2.gz OWBAHKVGQYJDEN-SWSHNTHGSA-N 1 0 302.374 3.013 20 5 DGBDRO C[C@H](NCC1([NH3+])CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000902414840 619638040 /nfs/dbraw/zinc/63/80/40/619638040.db2.gz DJXTYRJEAVHOKE-NSHDSACASA-N 1 0 317.414 3.465 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000902895382 619689550 /nfs/dbraw/zinc/68/95/50/619689550.db2.gz YMUADXCUTSHKOM-WEAAYUCLSA-N 1 0 302.374 3.059 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCCC(C)(C)CO)cc([N+](=O)[O-])c1 ZINC000903100608 619716235 /nfs/dbraw/zinc/71/62/35/619716235.db2.gz TWUKVSSTONMJMM-GFCCVEGCSA-N 1 0 310.394 3.053 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCCc2nccs2)cc([N+](=O)[O-])c1 ZINC000903117408 619720870 /nfs/dbraw/zinc/72/08/70/619720870.db2.gz AJGPKFLXKOSWQY-NSHDSACASA-N 1 0 321.402 3.343 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC2CC(F)(F)C2)cc([N+](=O)[O-])c1 ZINC000903174267 619729799 /nfs/dbraw/zinc/72/97/99/619729799.db2.gz HXRRDXVCRQMERV-VIFPVBQESA-N 1 0 300.305 3.299 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1 ZINC000903181911 619731649 /nfs/dbraw/zinc/73/16/49/619731649.db2.gz YFCHYUCOFPIPAP-TVYUQYBPSA-N 1 0 318.295 3.355 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCSC2)cc([N+](=O)[O-])c1 ZINC000903169648 619733058 /nfs/dbraw/zinc/73/30/58/619733058.db2.gz CDPOTNIAOMBMEA-RYUDHWBXSA-N 1 0 310.419 3.397 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)COCC2CC2)cc([N+](=O)[O-])c1 ZINC000903193098 619733565 /nfs/dbraw/zinc/73/35/65/619733565.db2.gz CKFDZLBYJMATOE-RYUDHWBXSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C)O2)cc([N+](=O)[O-])c1 ZINC000903200457 619735346 /nfs/dbraw/zinc/73/53/46/619735346.db2.gz PLABLHCLRSPIRX-XUJVJEKNSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCCc2ccco2)cc([N+](=O)[O-])c1 ZINC000903202790 619735821 /nfs/dbraw/zinc/73/58/21/619735821.db2.gz GFOQWOXLEPPSEZ-LBPRGKRZSA-N 1 0 304.346 3.480 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)OCC2CC2)cc([N+](=O)[O-])c1 ZINC000903186570 619736923 /nfs/dbraw/zinc/73/69/23/619736923.db2.gz RKIAONOHFPSJMG-LBPRGKRZSA-N 1 0 322.405 3.459 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCC[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903188342 619737370 /nfs/dbraw/zinc/73/73/70/619737370.db2.gz ZBCMEWQWUYLNLI-OLZOCXBDSA-N 1 0 308.378 3.071 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000903246343 619742216 /nfs/dbraw/zinc/74/22/16/619742216.db2.gz SYWLLSOKEVRCOJ-QWRGUYRKSA-N 1 0 305.334 3.046 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCCc2c1cnn2C)c1ccccc1[N+](=O)[O-] ZINC000903244797 619743334 /nfs/dbraw/zinc/74/33/34/619743334.db2.gz DKURPWVYVZUILP-SWLSCSKDSA-N 1 0 314.389 3.099 20 5 DGBDRO Cc1ncncc1[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245334 619743519 /nfs/dbraw/zinc/74/35/19/619743519.db2.gz KRXCWAUWZPITHW-VXGBXAGGSA-N 1 0 300.362 3.148 20 5 DGBDRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000903244925 619743766 /nfs/dbraw/zinc/74/37/66/619743766.db2.gz GODQWBODZHJULW-OLZOCXBDSA-N 1 0 317.393 3.222 20 5 DGBDRO C[C@@H](C[NH2+][C@H]1CCCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000903246123 619743956 /nfs/dbraw/zinc/74/39/56/619743956.db2.gz RCEWFHKEEMXJLA-JSGCOSHPSA-N 1 0 300.362 3.020 20 5 DGBDRO CCCn1cc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000903245868 619744089 /nfs/dbraw/zinc/74/40/89/619744089.db2.gz PLQOCPWCLAMMKJ-OLZOCXBDSA-N 1 0 317.393 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]C2([C@@H]3CCCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000903228172 619744106 /nfs/dbraw/zinc/74/41/06/619744106.db2.gz QEHRFQWFZRJEIG-LRDDRELGSA-N 1 0 320.389 3.356 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C2(O)CCC2)CC1 ZINC000903259493 619746569 /nfs/dbraw/zinc/74/65/69/619746569.db2.gz NMNXHDVWYYRWFC-ZDUSSCGKSA-N 1 0 304.390 3.249 20 5 DGBDRO CCn1cc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000903246891 619747863 /nfs/dbraw/zinc/74/78/63/619747863.db2.gz YHIPJGAAVHBKPI-CHWSQXEVSA-N 1 0 302.378 3.266 20 5 DGBDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000903288190 619754572 /nfs/dbraw/zinc/75/45/72/619754572.db2.gz UMTKPKHZURBPFD-GHMZBOCLSA-N 1 0 300.362 3.413 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288285 619754896 /nfs/dbraw/zinc/75/48/96/619754896.db2.gz WADMMCVHHAHRAO-IRUJWGPZSA-N 1 0 318.295 3.355 20 5 DGBDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903311960 619757668 /nfs/dbraw/zinc/75/76/68/619757668.db2.gz XCHJTCDJKKGQAO-YVEFUNNKSA-N 1 0 318.348 3.292 20 5 DGBDRO CC[C@@H]([NH2+]C[C@]1(OC)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000903311210 619757758 /nfs/dbraw/zinc/75/77/58/619757758.db2.gz QGOOFROUKWJDPT-HUUCEWRRSA-N 1 0 310.419 3.158 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(OC(C)C)CCOC2)cc1[N+](=O)[O-] ZINC000903359298 619764878 /nfs/dbraw/zinc/76/48/78/619764878.db2.gz BQZWOTKJZUHZCD-YOEHRIQHSA-N 1 0 322.405 3.138 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(OC(C)C)CCOC1 ZINC000903361082 619765547 /nfs/dbraw/zinc/76/55/47/619765547.db2.gz PGTXJBSXSPWZHO-PBHICJAKSA-N 1 0 322.405 3.138 20 5 DGBDRO CCC[C@H]([NH2+][C@H]1CCCN(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000903393277 619767026 /nfs/dbraw/zinc/76/70/26/619767026.db2.gz JWIQQEGYECDWIR-HOTGVXAUSA-N 1 0 319.405 3.037 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](O)C1CC1 ZINC000903410353 619771995 /nfs/dbraw/zinc/77/19/95/619771995.db2.gz GOBBUODXNPYCKQ-HZMBPMFUSA-N 1 0 310.419 3.128 20 5 DGBDRO C[NH2+][C@@H](CC(C)C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000904124142 619881532 /nfs/dbraw/zinc/88/15/32/619881532.db2.gz VWXKFVMTSLCXTQ-LBPRGKRZSA-N 1 0 304.350 3.260 20 5 DGBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000905644455 620016330 /nfs/dbraw/zinc/01/63/30/620016330.db2.gz QLDKYZSCSZVUCH-CXAGYDPISA-N 1 0 300.358 3.022 20 5 DGBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000905645443 620016648 /nfs/dbraw/zinc/01/66/48/620016648.db2.gz YLQIPGLBDPHLII-SJKOYZFVSA-N 1 0 318.348 3.161 20 5 DGBDRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000906316010 620084637 /nfs/dbraw/zinc/08/46/37/620084637.db2.gz JWALURSEKUQQIA-CYBMUJFWSA-N 1 0 319.405 3.037 20 5 DGBDRO Cc1nn(CC[C@@H]2CCCC[N@H+]2C)c2ccc([N+](=O)[O-])cc12 ZINC000906502084 620103114 /nfs/dbraw/zinc/10/31/14/620103114.db2.gz FCXSREXBCAKJTM-ZDUSSCGKSA-N 1 0 302.378 3.127 20 5 DGBDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000924840790 620337221 /nfs/dbraw/zinc/33/72/21/620337221.db2.gz FXBJIKPJRLKNFC-XJKSGUPXSA-N 1 0 310.394 3.023 20 5 DGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCCC12CC[NH2+]CC2 ZINC000911906631 620353642 /nfs/dbraw/zinc/35/36/42/620353642.db2.gz ILDWTHPPFGXYKC-OAHLLOKOSA-N 1 0 317.389 3.093 20 5 DGBDRO CCCC[NH+](CCCC)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000914785806 620554375 /nfs/dbraw/zinc/55/43/75/620554375.db2.gz TZGYDCCTFLKMLG-UHFFFAOYSA-N 1 0 321.377 3.362 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000922048884 620983031 /nfs/dbraw/zinc/98/30/31/620983031.db2.gz QGJKHRNQDLMDST-CWRNSKLLSA-N 1 0 304.390 3.198 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000922315800 621022845 /nfs/dbraw/zinc/02/28/45/621022845.db2.gz GRATXSXTWOTIIP-BZUAXINKSA-N 1 0 304.390 3.198 20 5 DGBDRO C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000857082897 621056499 /nfs/dbraw/zinc/05/64/99/621056499.db2.gz RQOIHDRRWYLMFT-SCZZXKLOSA-N 1 0 318.204 3.412 20 5 DGBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1C ZINC000922556412 621057190 /nfs/dbraw/zinc/05/71/90/621057190.db2.gz GXHKYNBUVPRZQO-WFASDCNBSA-N 1 0 315.373 3.037 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000922695219 621085710 /nfs/dbraw/zinc/08/57/10/621085710.db2.gz MRMYNQYNWGRXEC-DGCLKSJQSA-N 1 0 318.295 3.184 20 5 DGBDRO Cc1c(C[NH2+]CCc2nc3c(s2)CCC3)cccc1[N+](=O)[O-] ZINC000922715518 621088240 /nfs/dbraw/zinc/08/82/40/621088240.db2.gz MIWDXPGUCRTJMY-UHFFFAOYSA-N 1 0 317.414 3.181 20 5 DGBDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000922864545 621110938 /nfs/dbraw/zinc/11/09/38/621110938.db2.gz DZMFHKBHAHKESI-QWRGUYRKSA-N 1 0 322.390 3.028 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857865763 621125567 /nfs/dbraw/zinc/12/55/67/621125567.db2.gz PMSZSLFXVKQMED-ZDUSSCGKSA-N 1 0 320.780 3.181 20 5 DGBDRO CCc1onc(C)c1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000922989162 621144400 /nfs/dbraw/zinc/14/44/00/621144400.db2.gz ZRXQIAQJVRRMCV-VURMDHGXSA-N 1 0 301.346 3.257 20 5 DGBDRO CCOC(=O)CC(C)(C)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000839089759 621327392 /nfs/dbraw/zinc/32/73/92/621327392.db2.gz RZBOGAYPJOSFME-UHFFFAOYSA-N 1 0 322.405 3.049 20 5 DGBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C12CCC2 ZINC000839183790 621344262 /nfs/dbraw/zinc/34/42/62/621344262.db2.gz ZJPKHEIEDGAPRN-KBPBESRZSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C[N@@H+]1C1CC1 ZINC000754024416 621480464 /nfs/dbraw/zinc/48/04/64/621480464.db2.gz KPAARNOSZPUOPY-ZJUUUORDSA-N 1 0 318.402 3.242 20 5 DGBDRO Cc1cc(C)cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000754250995 621499247 /nfs/dbraw/zinc/49/92/47/621499247.db2.gz OTCFJPKZSGCHKT-QGZVFWFLSA-N 1 0 300.358 3.035 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000754835748 621536033 /nfs/dbraw/zinc/53/60/33/621536033.db2.gz UXGZYLIEWRAMAH-DJIMGWMZSA-N 1 0 316.401 3.341 20 5 DGBDRO Cc1c(F)nccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000862356050 621577306 /nfs/dbraw/zinc/57/73/06/621577306.db2.gz UEAOZAJRTGKXHP-UHFFFAOYSA-N 1 0 303.337 3.112 20 5 DGBDRO CCC(F)(F)C(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863578715 621684942 /nfs/dbraw/zinc/68/49/42/621684942.db2.gz UAMPISUDIMRTHU-ZDUSSCGKSA-N 1 0 316.348 3.289 20 5 DGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000864359355 621760305 /nfs/dbraw/zinc/76/03/05/621760305.db2.gz OXCKJGLPFRSSGK-RYUDHWBXSA-N 1 0 311.332 3.111 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000758210328 621766371 /nfs/dbraw/zinc/76/63/71/621766371.db2.gz LRIQKIAVFKVTES-LLVKDONJSA-N 1 0 320.418 3.125 20 5 DGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H](c4ccccc4)C3)c2c1 ZINC000120264536 621822667 /nfs/dbraw/zinc/82/26/67/621822667.db2.gz YXOWBHUTCYJMHB-MRXNPFEDSA-N 1 0 322.368 3.392 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000760127118 621916734 /nfs/dbraw/zinc/91/67/34/621916734.db2.gz NDAXKIIQOZCHFP-YYRKOSNBSA-N 1 0 318.373 3.026 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865570349 621953821 /nfs/dbraw/zinc/95/38/21/621953821.db2.gz DMOLTWIVUKRIDI-GFCCVEGCSA-N 1 0 313.348 3.453 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CCSC1 ZINC000865654517 621972022 /nfs/dbraw/zinc/97/20/22/621972022.db2.gz OOZBPJKXARZMLN-LBPRGKRZSA-N 1 0 310.419 3.226 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000761216371 621995341 /nfs/dbraw/zinc/99/53/41/621995341.db2.gz PQLAGROKTOEEJL-BIGNPOOSSA-N 1 0 312.797 3.397 20 5 DGBDRO CN(C)c1cc[nH+]c(NCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761533607 622015189 /nfs/dbraw/zinc/01/51/89/622015189.db2.gz WFUMUALWZNEFDZ-UHFFFAOYSA-N 1 0 306.753 3.321 20 5 DGBDRO CC1([NH+]2CCCC2)CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000866022201 622034193 /nfs/dbraw/zinc/03/41/93/622034193.db2.gz RCIFPFOXADGVGR-UHFFFAOYSA-N 1 0 307.369 3.189 20 5 DGBDRO CCC1([NH+](C)C)CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000866058536 622039532 /nfs/dbraw/zinc/03/95/32/622039532.db2.gz AZOHIMQHPMDYLA-UHFFFAOYSA-N 1 0 313.348 3.184 20 5 DGBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CCC1(C)C ZINC000866114273 622048006 /nfs/dbraw/zinc/04/80/06/622048006.db2.gz KHYLCIVBUHRVCR-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO Cc1csc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866224525 622069764 /nfs/dbraw/zinc/06/97/64/622069764.db2.gz YGPPIRQJPKHLNI-VIFPVBQESA-N 1 0 309.366 3.220 20 5 DGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866259912 622078579 /nfs/dbraw/zinc/07/85/79/622078579.db2.gz QYHLXTLQTSYWQO-WDEREUQCSA-N 1 0 320.368 3.058 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccsc1 ZINC000866270624 622080652 /nfs/dbraw/zinc/08/06/52/622080652.db2.gz QMZXFWQDVMPABJ-BMIGLBTASA-N 1 0 324.377 3.050 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccsc1 ZINC000866270626 622081065 /nfs/dbraw/zinc/08/10/65/622081065.db2.gz QMZXFWQDVMPABJ-MEBBXXQBSA-N 1 0 324.377 3.050 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000866288199 622085790 /nfs/dbraw/zinc/08/57/90/622085790.db2.gz DRLBFLMQFBBUGM-FRRDWIJNSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)C[C@H](C)O ZINC000866302149 622088687 /nfs/dbraw/zinc/08/86/87/622088687.db2.gz YTVHBHREVMZGKX-NEPJUHHUSA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000866309771 622090740 /nfs/dbraw/zinc/09/07/40/622090740.db2.gz BNSHXFYUSFPTEE-MCYUEQNJSA-N 1 0 310.369 3.211 20 5 DGBDRO CCC(CC)(CO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866311819 622091162 /nfs/dbraw/zinc/09/11/62/622091162.db2.gz WFQRKGGTUIVPGT-LBPRGKRZSA-N 1 0 312.385 3.053 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccsc1 ZINC000866342637 622098680 /nfs/dbraw/zinc/09/86/80/622098680.db2.gz XVYKPLUREQUCOF-IINYFYTJSA-N 1 0 324.377 3.050 20 5 DGBDRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000866348426 622099497 /nfs/dbraw/zinc/09/94/97/622099497.db2.gz RMYBADJRRQTAIT-NHYWBVRUSA-N 1 0 312.385 3.050 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000866385732 622108406 /nfs/dbraw/zinc/10/84/06/622108406.db2.gz PXQCPOGKYDACFH-IUODEOHRSA-N 1 0 323.412 3.127 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1cscn1 ZINC000866388906 622108786 /nfs/dbraw/zinc/10/87/86/622108786.db2.gz NYFRTLRKGAPWBF-UWVGGRQHSA-N 1 0 309.366 3.472 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccns1 ZINC000866399817 622111488 /nfs/dbraw/zinc/11/14/88/622111488.db2.gz WABQBRBFWBNWDO-VHSXEESVSA-N 1 0 309.366 3.472 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866448370 622120416 /nfs/dbraw/zinc/12/04/16/622120416.db2.gz FASAVCUWBAYARY-BYCMXARLSA-N 1 0 323.368 3.182 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866448372 622120532 /nfs/dbraw/zinc/12/05/32/622120532.db2.gz FASAVCUWBAYARY-TUKIKUTGSA-N 1 0 323.368 3.182 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(F)c1 ZINC000866473320 622123853 /nfs/dbraw/zinc/12/38/53/622123853.db2.gz MNSKWOFEEZNLCD-GFCCVEGCSA-N 1 0 303.337 3.240 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCC(C)(C)OC)cc1[N+](=O)[O-] ZINC000866504692 622129106 /nfs/dbraw/zinc/12/91/06/622129106.db2.gz MXUGKGVRTMKGQJ-LBPRGKRZSA-N 1 0 310.394 3.459 20 5 DGBDRO CC(=O)c1c(NC[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000763203333 622130051 /nfs/dbraw/zinc/13/00/51/622130051.db2.gz MXYOAHUKZGGPJW-ZDUSSCGKSA-N 1 0 319.405 3.331 20 5 DGBDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000866540375 622134988 /nfs/dbraw/zinc/13/49/88/622134988.db2.gz MYRYCZFLTQQEQQ-CYBMUJFWSA-N 1 0 322.405 3.361 20 5 DGBDRO COC(=O)CC1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000866539256 622135016 /nfs/dbraw/zinc/13/50/16/622135016.db2.gz AJFNSRYLZMRHNZ-UHFFFAOYSA-N 1 0 320.389 3.115 20 5 DGBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000866541085 622135546 /nfs/dbraw/zinc/13/55/46/622135546.db2.gz VYLBQLSQRBFJAN-CYBMUJFWSA-N 1 0 300.358 3.246 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1cccc([N+](=O)[O-])c1 ZINC000866562374 622138985 /nfs/dbraw/zinc/13/89/85/622138985.db2.gz RPAVWIYYNPMLMX-UGSOOPFHSA-N 1 0 311.385 3.432 20 5 DGBDRO Cc1nn(C[N@@H+](C)C(C2CC2)C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121148375 622146320 /nfs/dbraw/zinc/14/63/20/622146320.db2.gz WPHOEMGGPXRBJB-UHFFFAOYSA-N 1 0 314.389 3.331 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000866613008 622147236 /nfs/dbraw/zinc/14/72/36/622147236.db2.gz DGKNMSZOIFHWCY-VXGBXAGGSA-N 1 0 318.377 3.139 20 5 DGBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000866615015 622147510 /nfs/dbraw/zinc/14/75/10/622147510.db2.gz SBQNPOCHOCTATG-ABAIWWIYSA-N 1 0 300.362 3.057 20 5 DGBDRO C[C@@H]1C[C@@H](N(C)c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000764157277 622182199 /nfs/dbraw/zinc/18/21/99/622182199.db2.gz LZXANJUBMLWYKH-OLZOCXBDSA-N 1 0 314.389 3.062 20 5 DGBDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765846217 622290726 /nfs/dbraw/zinc/29/07/26/622290726.db2.gz VXROWHMRNARNJZ-MSOLQXFVSA-N 1 0 312.369 3.214 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CSc3ccccc32)cc1 ZINC000765849360 622291142 /nfs/dbraw/zinc/29/11/42/622291142.db2.gz PLYZLWYGNWOYTR-CABCVRRESA-N 1 0 316.382 3.065 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CSc3ccccc32)cc1 ZINC000765849361 622291167 /nfs/dbraw/zinc/29/11/67/622291167.db2.gz PLYZLWYGNWOYTR-GJZGRUSLSA-N 1 0 316.382 3.065 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000766376680 622325727 /nfs/dbraw/zinc/32/57/27/622325727.db2.gz ZGELBFCOGVBDDH-LLVKDONJSA-N 1 0 319.386 3.254 20 5 DGBDRO CCC1(CC)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000766991069 622366703 /nfs/dbraw/zinc/36/67/03/622366703.db2.gz UCOMHURQKDTMBC-OAHLLOKOSA-N 1 0 324.446 3.236 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000768105047 622438828 /nfs/dbraw/zinc/43/88/28/622438828.db2.gz YYOXUCNUDLWTFN-KGLIPLIRSA-N 1 0 321.421 3.128 20 5 DGBDRO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000768337784 622450608 /nfs/dbraw/zinc/45/06/08/622450608.db2.gz VRMUWFMBNRQSHO-UHFFFAOYSA-N 1 0 313.401 3.288 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017613 622753587 /nfs/dbraw/zinc/75/35/87/622753587.db2.gz CZFAZDLOWIFECH-BXUZGUMPSA-N 1 0 321.352 3.280 20 5 DGBDRO CC[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000872019915 622755818 /nfs/dbraw/zinc/75/58/18/622755818.db2.gz BRBRDXHEKKWNDI-STQMWFEESA-N 1 0 309.385 3.259 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)CC[NH+](C)C ZINC000872028937 622761830 /nfs/dbraw/zinc/76/18/30/622761830.db2.gz NPGPFRHLKULAST-RYUDHWBXSA-N 1 0 311.451 3.308 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872031160 622763146 /nfs/dbraw/zinc/76/31/46/622763146.db2.gz GQPZHORCPZSJHY-XJKSGUPXSA-N 1 0 322.405 3.287 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@](C)(O)C(C)C ZINC000872033310 622764616 /nfs/dbraw/zinc/76/46/16/622764616.db2.gz BLHXQNHFNWPVTP-XHDPSFHLSA-N 1 0 312.435 3.374 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(C)CCOC1 ZINC000872034473 622764963 /nfs/dbraw/zinc/76/49/63/622764963.db2.gz JJWSEWCZMQHHTM-IAQYHMDHSA-N 1 0 310.419 3.394 20 5 DGBDRO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035961 622766079 /nfs/dbraw/zinc/76/60/79/622766079.db2.gz QZWTXYWMEUFZCS-SJCJKPOMSA-N 1 0 318.348 3.292 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@](C)(O)C1CC1 ZINC000872036051 622766859 /nfs/dbraw/zinc/76/68/59/622766859.db2.gz PLZYJGZYKALSNF-BMIGLBTASA-N 1 0 310.419 3.128 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038697 622767918 /nfs/dbraw/zinc/76/79/18/622767918.db2.gz OZTSOXIEORMBDX-MISXLKTNSA-N 1 0 308.353 3.198 20 5 DGBDRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872039558 622768642 /nfs/dbraw/zinc/76/86/42/622768642.db2.gz GVEQMPOBNIDKAV-SGIREYDYSA-N 1 0 310.369 3.326 20 5 DGBDRO Cc1cnccc1CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872050554 622776456 /nfs/dbraw/zinc/77/64/56/622776456.db2.gz CABJKNJTTREMSJ-GFCCVEGCSA-N 1 0 303.337 3.331 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000872053942 622778442 /nfs/dbraw/zinc/77/84/42/622778442.db2.gz ZXBBSNWOSSIEGF-HNNXBMFYSA-N 1 0 304.390 3.219 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872054232 622778962 /nfs/dbraw/zinc/77/89/62/622778962.db2.gz RQMBAUDPWKXQRF-QMMBQJITSA-N 1 0 320.364 3.342 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062185 622783363 /nfs/dbraw/zinc/78/33/63/622783363.db2.gz KGOXSDIMSVJDIC-WBIUFABUSA-N 1 0 308.353 3.342 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000872066616 622786554 /nfs/dbraw/zinc/78/65/54/622786554.db2.gz OLZASYUKRKQBIH-COPLHBTASA-N 1 0 310.419 3.392 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)C(C)C ZINC000872071818 622789073 /nfs/dbraw/zinc/78/90/73/622789073.db2.gz YAKYNBJTHISEKF-VXGBXAGGSA-N 1 0 312.435 3.232 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)C1CCC1 ZINC000872078822 622792785 /nfs/dbraw/zinc/79/27/85/622792785.db2.gz SESAEPVCMQZMMA-QMTHXVAHSA-N 1 0 310.419 3.128 20 5 DGBDRO C[C@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086235 622797628 /nfs/dbraw/zinc/79/76/28/622797628.db2.gz VPOXABAVMYBKTH-NWDGAFQWSA-N 1 0 309.385 3.257 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)[C@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000872249241 622866945 /nfs/dbraw/zinc/86/69/45/622866945.db2.gz GMVUJBFWTJZHHX-HBUWYVDXSA-N 1 0 314.385 3.410 20 5 DGBDRO CC1(C)C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772982036 622960367 /nfs/dbraw/zinc/96/03/67/622960367.db2.gz SFLZBHQMUYDVRD-ZDUSSCGKSA-N 1 0 303.406 3.199 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)C1CC1 ZINC000773011974 622965913 /nfs/dbraw/zinc/96/59/13/622965913.db2.gz JTKBICCFNYNZRJ-ZIAGYGMSSA-N 1 0 324.446 3.216 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)C1CC1 ZINC000773011973 622966334 /nfs/dbraw/zinc/96/63/34/622966334.db2.gz JTKBICCFNYNZRJ-UONOGXRCSA-N 1 0 324.446 3.216 20 5 DGBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc[nH]1 ZINC000773113266 622985718 /nfs/dbraw/zinc/98/57/18/622985718.db2.gz BHOKFGOBNOBPDU-ZDUSSCGKSA-N 1 0 314.389 3.243 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000873016132 623017733 /nfs/dbraw/zinc/01/77/33/623017733.db2.gz GYBQZIZLHKXIGH-UHFFFAOYSA-N 1 0 315.329 3.410 20 5 DGBDRO Cc1nc(C)c(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000873047979 623025469 /nfs/dbraw/zinc/02/54/69/623025469.db2.gz KXHNXBWCHJTWRV-UHFFFAOYSA-N 1 0 305.403 3.309 20 5 DGBDRO Cc1c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000873098339 623036108 /nfs/dbraw/zinc/03/61/08/623036108.db2.gz OUNNCSKIYSBBSI-UHFFFAOYSA-N 1 0 315.329 3.144 20 5 DGBDRO Cc1c(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873132735 623043807 /nfs/dbraw/zinc/04/38/07/623043807.db2.gz DOCOXELNXHYKPJ-KSSFIOAISA-N 1 0 314.385 3.289 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CCC[C@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000873161685 623057707 /nfs/dbraw/zinc/05/77/07/623057707.db2.gz BSNRLGOOOWWHKB-AWEZNQCLSA-N 1 0 320.389 3.151 20 5 DGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000774618007 623166422 /nfs/dbraw/zinc/16/64/22/623166422.db2.gz HHMQVRVOXNQNRJ-IAQYHMDHSA-N 1 0 302.378 3.331 20 5 DGBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CCCC1 ZINC000774633758 623168102 /nfs/dbraw/zinc/16/81/02/623168102.db2.gz BMGNZPOVTLLVHM-UHFFFAOYSA-N 1 0 308.769 3.430 20 5 DGBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000775062632 623224739 /nfs/dbraw/zinc/22/47/39/623224739.db2.gz FJVGSSMZLNAADG-NSHDSACASA-N 1 0 307.350 3.371 20 5 DGBDRO Cc1cc(F)ccc1[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775187562 623240105 /nfs/dbraw/zinc/24/01/05/623240105.db2.gz OMIOPQHISLUPJV-YVEFUNNKSA-N 1 0 318.348 3.427 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000775385068 623264040 /nfs/dbraw/zinc/26/40/40/623264040.db2.gz ILYSYAIVCYROCE-QLFBSQMISA-N 1 0 324.471 3.107 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775391764 623265906 /nfs/dbraw/zinc/26/59/06/623265906.db2.gz FAKPPWGXNVIJDV-BPLDGKMQSA-N 1 0 324.471 3.107 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775400664 623268896 /nfs/dbraw/zinc/26/88/96/623268896.db2.gz RDCJSBWGDMDVGN-MRVWCRGKSA-N 1 0 310.444 3.064 20 5 DGBDRO CCCC[N@H+](CCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775560460 623289890 /nfs/dbraw/zinc/28/98/90/623289890.db2.gz BVXNFLLCCYPPQD-UHFFFAOYSA-N 1 0 300.786 3.233 20 5 DGBDRO C[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271127 623404855 /nfs/dbraw/zinc/40/48/55/623404855.db2.gz HYLSPYYLBVMUOQ-SUMWQHHRSA-N 1 0 300.358 3.321 20 5 DGBDRO C[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271126 623405156 /nfs/dbraw/zinc/40/51/56/623405156.db2.gz HYLSPYYLBVMUOQ-GUYCJALGSA-N 1 0 300.358 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000776277245 623406059 /nfs/dbraw/zinc/40/60/59/623406059.db2.gz QDLDEFRSRLHFDZ-QZTJIDSGSA-N 1 0 312.369 3.465 20 5 DGBDRO CC[N@H+](CCc1cccs1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578674 623442331 /nfs/dbraw/zinc/44/23/31/623442331.db2.gz HRUZTYGOIHKIJC-INIZCTEOSA-N 1 0 320.414 3.254 20 5 DGBDRO CC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578699 623442338 /nfs/dbraw/zinc/44/23/38/623442338.db2.gz HTKPIHVIIRZYLD-SFHVURJKSA-N 1 0 314.385 3.459 20 5 DGBDRO Cc1ccc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000776581601 623443014 /nfs/dbraw/zinc/44/30/14/623443014.db2.gz KXUHCNFMMYRHGD-HNNXBMFYSA-N 1 0 306.387 3.130 20 5 DGBDRO C[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582676 623443287 /nfs/dbraw/zinc/44/32/87/623443287.db2.gz SVUMKWATDXOBGN-UGSOOPFHSA-N 1 0 312.369 3.248 20 5 DGBDRO C[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000776596965 623444864 /nfs/dbraw/zinc/44/48/64/623444864.db2.gz BDIHDQGKLTVMNK-BBRMVZONSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000776590739 623445129 /nfs/dbraw/zinc/44/51/29/623445129.db2.gz FWENHYWPZFONFB-DLBZAZTESA-N 1 0 316.332 3.214 20 5 DGBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(C)CC1 ZINC000776882194 623473350 /nfs/dbraw/zinc/47/33/50/623473350.db2.gz ODJSUFYYFNWRPF-ZDUSSCGKSA-N 1 0 303.406 3.342 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000776881882 623473493 /nfs/dbraw/zinc/47/34/93/623473493.db2.gz ABQYJEYXSJRXFC-NWDGAFQWSA-N 1 0 305.378 3.090 20 5 DGBDRO Cc1c(NC(=O)C2CC[NH+](C(C)C)CC2)c(F)ccc1[N+](=O)[O-] ZINC000875675320 623478504 /nfs/dbraw/zinc/47/85/04/623478504.db2.gz SKRYXQPTTIMGGB-UHFFFAOYSA-N 1 0 323.368 3.101 20 5 DGBDRO C[C@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H]1C ZINC000777956169 623589930 /nfs/dbraw/zinc/58/99/30/623589930.db2.gz CRGOMGJJJQNNRL-BETUJISGSA-N 1 0 300.362 3.004 20 5 DGBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777963391 623591762 /nfs/dbraw/zinc/59/17/62/623591762.db2.gz KSPLVZXZYBQQEW-QWHCGFSZSA-N 1 0 300.362 3.146 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000876570513 623647754 /nfs/dbraw/zinc/64/77/54/623647754.db2.gz FCQMCSFOYVUMDU-CQSZACIVSA-N 1 0 304.390 3.213 20 5 DGBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000779122145 623732716 /nfs/dbraw/zinc/73/27/16/623732716.db2.gz KOVREYKNKWQXQY-UHFFFAOYSA-N 1 0 320.389 3.291 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCC3CCCCC3)C2)c1 ZINC000876928459 623746442 /nfs/dbraw/zinc/74/64/42/623746442.db2.gz FSZNAYMNWUQALK-UHFFFAOYSA-N 1 0 306.410 3.445 20 5 DGBDRO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCCC1 ZINC000876980147 623759102 /nfs/dbraw/zinc/75/91/02/623759102.db2.gz YFWYSJJNMATJIJ-GRTSSRMGSA-N 1 0 306.410 3.301 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3c(F)cccc3Cl)C2)c1 ZINC000876987548 623760222 /nfs/dbraw/zinc/76/02/22/623760222.db2.gz AMMWKSFACLMSOH-UHFFFAOYSA-N 1 0 324.743 3.077 20 5 DGBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877007231 623765343 /nfs/dbraw/zinc/76/53/43/623765343.db2.gz IDJHCBRRNGACKI-USPMSXPRSA-N 1 0 306.410 3.443 20 5 DGBDRO Cc1cc(C)cc([C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877012350 623765933 /nfs/dbraw/zinc/76/59/33/623765933.db2.gz SREKLQLDXDBKKW-JEYLPNPQSA-N 1 0 314.389 3.462 20 5 DGBDRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877131237 623799712 /nfs/dbraw/zinc/79/97/12/623799712.db2.gz XNZUZVXEMGFPSH-WFASDCNBSA-N 1 0 320.414 3.301 20 5 DGBDRO CC(=O)c1c(NCC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000882271857 625681865 /nfs/dbraw/zinc/68/18/65/625681865.db2.gz IIXFNUHWRJQTHU-UHFFFAOYSA-N 1 0 317.389 3.084 20 5 DGBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877462226 623894982 /nfs/dbraw/zinc/89/49/82/623894982.db2.gz NACBUCUYDXYQDI-RTYFJBAXSA-N 1 0 320.315 3.061 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000877478339 623902558 /nfs/dbraw/zinc/90/25/58/623902558.db2.gz MYDQMQPGIRTPQI-OAHLLOKOSA-N 1 0 305.422 3.128 20 5 DGBDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000877519645 623920722 /nfs/dbraw/zinc/92/07/22/623920722.db2.gz YXZNPVAYNBCACB-KSSFIOAISA-N 1 0 314.385 3.157 20 5 DGBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)c1 ZINC000877542304 623934286 /nfs/dbraw/zinc/93/42/86/623934286.db2.gz MTBBHOSELTZQPQ-OAHLLOKOSA-N 1 0 314.389 3.164 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CCC[C@@H](C)C1 ZINC000877576026 623949246 /nfs/dbraw/zinc/94/92/46/623949246.db2.gz HOSLSQJHNTUHIR-RIUMEUQESA-N 1 0 306.410 3.299 20 5 DGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCC[C@@H](C)C1 ZINC000877576025 623949282 /nfs/dbraw/zinc/94/92/82/623949282.db2.gz HOSLSQJHNTUHIR-OEGGNGQFSA-N 1 0 306.410 3.299 20 5 DGBDRO CC[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC(F)(F)F ZINC000877588975 623953659 /nfs/dbraw/zinc/95/36/59/623953659.db2.gz DJEGXODOGHGSAN-WHXUTIOJSA-N 1 0 320.315 3.063 20 5 DGBDRO COc1ccc(-c2ccc(C[NH2+]C3CSC3)o2)c([N+](=O)[O-])c1 ZINC000877635427 623971615 /nfs/dbraw/zinc/97/16/15/623971615.db2.gz QOVZHMTWKODOCU-UHFFFAOYSA-N 1 0 320.370 3.068 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877739905 624012704 /nfs/dbraw/zinc/01/27/04/624012704.db2.gz ICUWQCJBQPBBGK-MBMZNTITSA-N 1 0 315.417 3.024 20 5 DGBDRO Cc1csc([C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000877814061 624046109 /nfs/dbraw/zinc/04/61/09/624046109.db2.gz NGECHCKECKAFDI-AWEZNQCLSA-N 1 0 317.414 3.392 20 5 DGBDRO C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)C1=CC[N@H+](C)CC1 ZINC000781394951 624065393 /nfs/dbraw/zinc/06/53/93/624065393.db2.gz RCZMMVFTMQJIQC-JTQLQIEISA-N 1 0 318.402 3.267 20 5 DGBDRO CCCC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000877962006 624112782 /nfs/dbraw/zinc/11/27/82/624112782.db2.gz VQEQYLAGWCRZBW-UHFFFAOYSA-N 1 0 316.361 3.409 20 5 DGBDRO CC(C)CC[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877975472 624119750 /nfs/dbraw/zinc/11/97/50/624119750.db2.gz OVWIJIPWXGANDY-UHFFFAOYSA-N 1 0 304.350 3.123 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878154241 624192096 /nfs/dbraw/zinc/19/20/96/624192096.db2.gz WNIDEVNYBZDEGU-VXGBXAGGSA-N 1 0 316.361 3.265 20 5 DGBDRO CCC[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782477228 624255832 /nfs/dbraw/zinc/25/58/32/624255832.db2.gz KFRQYXVJVVHOMF-NSHDSACASA-N 1 0 311.357 3.183 20 5 DGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878366649 624258457 /nfs/dbraw/zinc/25/84/57/624258457.db2.gz VEWISHSTTIDNFC-GHMZBOCLSA-N 1 0 304.350 3.169 20 5 DGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532329 624261139 /nfs/dbraw/zinc/26/11/39/624261139.db2.gz SQPNWRVLSZWKFF-RYUDHWBXSA-N 1 0 323.368 3.325 20 5 DGBDRO Cc1cc(NCCNc2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782952148 624294049 /nfs/dbraw/zinc/29/40/49/624294049.db2.gz JDPNZTPXGCDAFY-UHFFFAOYSA-N 1 0 322.368 3.397 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000878612601 624321901 /nfs/dbraw/zinc/32/19/01/624321901.db2.gz RNZHGJQPPCIHBA-XJKSGUPXSA-N 1 0 314.389 3.183 20 5 DGBDRO CC(C)([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000878644024 624329232 /nfs/dbraw/zinc/32/92/32/624329232.db2.gz SMYVZDOWIGZROY-ZDUSSCGKSA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000783306971 624336596 /nfs/dbraw/zinc/33/65/96/624336596.db2.gz SBFXODCRXGKARD-HIFRSBDPSA-N 1 0 303.406 3.342 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000783310272 624337381 /nfs/dbraw/zinc/33/73/81/624337381.db2.gz NGPBUIRRVOZADG-CVEARBPZSA-N 1 0 302.374 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1Cl ZINC000783572455 624368437 /nfs/dbraw/zinc/36/84/37/624368437.db2.gz ITPJCYAORPXVHI-AWEZNQCLSA-N 1 0 324.808 3.497 20 5 DGBDRO CC(C)[NH+]1CCC(NCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783592410 624372527 /nfs/dbraw/zinc/37/25/27/624372527.db2.gz CXTWOPGNKAGRSG-UHFFFAOYSA-N 1 0 311.813 3.211 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1Cl ZINC000783668031 624381271 /nfs/dbraw/zinc/38/12/71/624381271.db2.gz XAWZWLOBSJAPFJ-CQSZACIVSA-N 1 0 324.808 3.497 20 5 DGBDRO CC(C)CC1([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878993686 624403749 /nfs/dbraw/zinc/40/37/49/624403749.db2.gz IEVJSALTJODBHQ-UHFFFAOYSA-N 1 0 316.361 3.313 20 5 DGBDRO Cc1nn(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000784022902 624424107 /nfs/dbraw/zinc/42/41/07/624424107.db2.gz CRRLNGUXJUOQIR-MRXNPFEDSA-N 1 0 314.389 3.164 20 5 DGBDRO CC(C)(C)[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000784037747 624427119 /nfs/dbraw/zinc/42/71/19/624427119.db2.gz ZLQHBGUBXLHQKE-CYBMUJFWSA-N 1 0 302.378 3.270 20 5 DGBDRO CC(C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000879406024 624535173 /nfs/dbraw/zinc/53/51/73/624535173.db2.gz KASVPNDOUPPVRI-CQSZACIVSA-N 1 0 314.332 3.310 20 5 DGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000805769032 624585450 /nfs/dbraw/zinc/58/54/50/624585450.db2.gz QYOWUGLRRGEHHV-LRDDRELGSA-N 1 0 323.824 3.307 20 5 DGBDRO CC(C)CC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128324061 624900485 /nfs/dbraw/zinc/90/04/85/624900485.db2.gz JILIUJBSOPXFHS-UHFFFAOYSA-N 1 0 311.357 3.040 20 5 DGBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128380518 624939219 /nfs/dbraw/zinc/93/92/19/624939219.db2.gz KDHHUPREFMFKTL-GFCCVEGCSA-N 1 0 323.368 3.185 20 5 DGBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CCCC1 ZINC000128406778 624955419 /nfs/dbraw/zinc/95/54/19/624955419.db2.gz PUJLFQYXYUAQLO-UHFFFAOYSA-N 1 0 323.368 3.185 20 5 DGBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000880459450 624961254 /nfs/dbraw/zinc/96/12/54/624961254.db2.gz VBGGFJYCSFZKET-KRWDZBQOSA-N 1 0 300.358 3.150 20 5 DGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CO)c1ccccc1 ZINC000880461774 624961403 /nfs/dbraw/zinc/96/14/03/624961403.db2.gz JJKIXSDRAOVDAG-KRWDZBQOSA-N 1 0 318.348 3.289 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)([NH+]2CCC2)CC1 ZINC000880470780 624963875 /nfs/dbraw/zinc/96/38/75/624963875.db2.gz MWXONSQEMBZSAV-AWEZNQCLSA-N 1 0 303.406 3.216 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCc3ccccc3OC2)cccc1[N+](=O)[O-] ZINC000786926245 624965458 /nfs/dbraw/zinc/96/54/58/624965458.db2.gz IHAYCJBXKCWIHU-INIZCTEOSA-N 1 0 312.369 3.387 20 5 DGBDRO C[NH2+]C(C)(C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000880708725 625015460 /nfs/dbraw/zinc/01/54/60/625015460.db2.gz GGLPUEAIAOBJQG-UHFFFAOYSA-N 1 0 322.409 3.012 20 5 DGBDRO C[N@H+](CCOc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788471022 625188476 /nfs/dbraw/zinc/18/84/76/625188476.db2.gz QXSHGNMMDYZOSV-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N(C)C ZINC000788521657 625205832 /nfs/dbraw/zinc/20/58/32/625205832.db2.gz WBJHHLVCHHWJPO-YVEFUNNKSA-N 1 0 322.453 3.194 20 5 DGBDRO CC(C)C[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788578334 625220544 /nfs/dbraw/zinc/22/05/44/625220544.db2.gz SANTUUFDCNKMJN-BBRMVZONSA-N 1 0 306.406 3.314 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]C2COC(C)(C)OC2)c2cc([N+](=O)[O-])ccc21 ZINC000788599603 625224181 /nfs/dbraw/zinc/22/41/81/625224181.db2.gz GGLKXWUMCABNLY-OAHLLOKOSA-N 1 0 320.389 3.058 20 5 DGBDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788606636 625227351 /nfs/dbraw/zinc/22/73/51/625227351.db2.gz KABUKTBENKLCFQ-RKDXNWHRSA-N 1 0 304.350 3.194 20 5 DGBDRO Cc1cccc(OCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788651789 625234982 /nfs/dbraw/zinc/23/49/82/625234982.db2.gz MCNJTSXBGXTADX-CYBMUJFWSA-N 1 0 315.373 3.215 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(F)c1 ZINC000788667708 625238318 /nfs/dbraw/zinc/23/83/18/625238318.db2.gz HJDRVQBJDXVOMU-SNVBAGLBSA-N 1 0 319.336 3.176 20 5 DGBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000882484187 625737976 /nfs/dbraw/zinc/73/79/76/625737976.db2.gz VKHDIHTWVPHOQU-OAHLLOKOSA-N 1 0 319.408 3.212 20 5 DGBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000882484186 625738072 /nfs/dbraw/zinc/73/80/72/625738072.db2.gz VKHDIHTWVPHOQU-HNNXBMFYSA-N 1 0 319.408 3.212 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc3occc3c2)cc1 ZINC000796286354 626035141 /nfs/dbraw/zinc/03/51/41/626035141.db2.gz CZDFXDDMMUJKBQ-MRXNPFEDSA-N 1 0 312.325 3.164 20 5 DGBDRO CN(CCC[NH+]1CCCC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000798403774 626215788 /nfs/dbraw/zinc/21/57/88/626215788.db2.gz GKHGNQPOXMVFDU-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000798962949 626263881 /nfs/dbraw/zinc/26/38/81/626263881.db2.gz UBEZGRZDRZEWQQ-WRLNGNIRSA-N 1 0 309.369 3.493 20 5 DGBDRO CSCCC[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000799162411 626276861 /nfs/dbraw/zinc/27/68/61/626276861.db2.gz SOEVFRGDELELOH-UHFFFAOYSA-N 1 0 320.418 3.101 20 5 DGBDRO C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000799731028 626325355 /nfs/dbraw/zinc/32/53/55/626325355.db2.gz KVJAYDURNZOBSK-YOEHRIQHSA-N 1 0 314.385 3.239 20 5 DGBDRO O=[N+]([O-])c1cnc(NC2CCC([NH+]3CCCCC3)CC2)s1 ZINC000799938972 626337295 /nfs/dbraw/zinc/33/72/95/626337295.db2.gz HTLNURLHILQUJW-UHFFFAOYSA-N 1 0 310.423 3.260 20 5 DGBDRO CCSCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000800492545 626364986 /nfs/dbraw/zinc/36/49/86/626364986.db2.gz KWTOSYZIQAEMMQ-UHFFFAOYSA-N 1 0 323.462 3.296 20 5 DGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801517177 626406744 /nfs/dbraw/zinc/40/67/44/626406744.db2.gz AMIUDCFUOILNHD-GJZGRUSLSA-N 1 0 310.369 3.369 20 5 DGBDRO COc1ccc(C[NH2+]CC(C)(C)CC(F)F)cc1[N+](=O)[O-] ZINC000883252235 626624366 /nfs/dbraw/zinc/62/43/66/626624366.db2.gz ZJAHTFWQINDJFT-UHFFFAOYSA-N 1 0 302.321 3.374 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883271156 626630873 /nfs/dbraw/zinc/63/08/73/626630873.db2.gz GYILMNFREYXAEM-IHRRRGAJSA-N 1 0 324.446 3.480 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000883271767 626631061 /nfs/dbraw/zinc/63/10/61/626631061.db2.gz VVERCBCODVQDBQ-OTRWWLKZSA-N 1 0 318.417 3.321 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883357791 626659701 /nfs/dbraw/zinc/65/97/01/626659701.db2.gz UHYCAHLDGJKDOY-IUODEOHRSA-N 1 0 302.374 3.273 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883363353 626661653 /nfs/dbraw/zinc/66/16/53/626661653.db2.gz BAFBDHTUBGXART-CYBMUJFWSA-N 1 0 310.781 3.440 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883364592 626662807 /nfs/dbraw/zinc/66/28/07/626662807.db2.gz JUDBLAJGBIIQNQ-YFCVBGDOSA-N 1 0 302.374 3.299 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCC2(COC2)CC1 ZINC000883383693 626668096 /nfs/dbraw/zinc/66/80/96/626668096.db2.gz DPRIWMKGQKSKMM-LBPRGKRZSA-N 1 0 322.380 3.214 20 5 DGBDRO CC(C)C[NH+]1CCC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804339529 626670931 /nfs/dbraw/zinc/67/09/31/626670931.db2.gz IUZLFEHOYKBOJP-UHFFFAOYSA-N 1 0 322.365 3.035 20 5 DGBDRO Cc1ccc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1Br ZINC000804346340 626671711 /nfs/dbraw/zinc/67/17/11/626671711.db2.gz RNFNAVPWTCBVNT-SECBINFHSA-N 1 0 316.199 3.028 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000804543512 626691493 /nfs/dbraw/zinc/69/14/93/626691493.db2.gz BISLRSFBIHPNGG-AWEZNQCLSA-N 1 0 319.405 3.187 20 5 DGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000804596447 626696514 /nfs/dbraw/zinc/69/65/14/626696514.db2.gz LKCQKLSFFQBOJH-CYBMUJFWSA-N 1 0 314.389 3.109 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC1CC[NH+](C2CC2)CC1 ZINC000808050472 626789349 /nfs/dbraw/zinc/78/93/49/626789349.db2.gz BZICNTZIXAATCF-UHFFFAOYSA-N 1 0 317.389 3.084 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000800087389 626804232 /nfs/dbraw/zinc/80/42/32/626804232.db2.gz UGUFNKZVCZPSAM-UHFFFAOYSA-N 1 0 314.769 3.137 20 5 DGBDRO C/C(=C\C(=O)OCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000800199591 626824037 /nfs/dbraw/zinc/82/40/37/626824037.db2.gz OGQXRTVOTZOZGY-BUHFOSPRSA-N 1 0 318.373 3.027 20 5 DGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)c1ccccc1 ZINC000808447147 626825605 /nfs/dbraw/zinc/82/56/05/626825605.db2.gz XTPMXEBNLSRCGG-ZBEGNZNMSA-N 1 0 320.776 3.460 20 5 DGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809724764 626941941 /nfs/dbraw/zinc/94/19/41/626941941.db2.gz YPQHTTNNDLFEKK-DOMZBBRYSA-N 1 0 323.824 3.307 20 5 DGBDRO CCCN(CCC[NH+](C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000809757787 626948333 /nfs/dbraw/zinc/94/83/33/626948333.db2.gz XKUHLAYVUFSGFN-UHFFFAOYSA-N 1 0 313.829 3.412 20 5 DGBDRO CC(C)[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H](C)O ZINC000809944745 626961466 /nfs/dbraw/zinc/96/14/66/626961466.db2.gz SZNMPNMOXYWXKU-SECBINFHSA-N 1 0 321.204 3.493 20 5 DGBDRO Cc1ccc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810557016 627016132 /nfs/dbraw/zinc/01/61/32/627016132.db2.gz BUVGBENOHMYXKT-MRXNPFEDSA-N 1 0 323.368 3.054 20 5 DGBDRO CC(C)([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1ccccc1[N+](=O)[O-] ZINC000886215506 627122076 /nfs/dbraw/zinc/12/20/76/627122076.db2.gz LJNPTQMGAHFXNS-CJNGLKHVSA-N 1 0 304.390 3.377 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886289142 627132427 /nfs/dbraw/zinc/13/24/27/627132427.db2.gz OGFWMMIXYWAGAH-BYPUDFOVSA-N 1 0 302.374 3.157 20 5 DGBDRO COc1ccc(F)cc1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000886312151 627135192 /nfs/dbraw/zinc/13/51/92/627135192.db2.gz UVDMNLTZNBIYNZ-UHFFFAOYSA-N 1 0 304.321 3.075 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@H]1c1ccccc1 ZINC000886540163 627159158 /nfs/dbraw/zinc/15/91/58/627159158.db2.gz ABUIPLUSLQMOEF-GUYCJALGSA-N 1 0 314.389 3.183 20 5 DGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886676741 627187382 /nfs/dbraw/zinc/18/73/82/627187382.db2.gz LIVLCHFUUNKDLG-DZGCQCFKSA-N 1 0 312.373 3.325 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000886730934 627198515 /nfs/dbraw/zinc/19/85/15/627198515.db2.gz QMXZUBMMICLQMT-OCCSQVGLSA-N 1 0 319.405 3.177 20 5 DGBDRO CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000886786639 627204186 /nfs/dbraw/zinc/20/41/86/627204186.db2.gz HDDHWRISLYAOCI-HYVNUMGLSA-N 1 0 322.405 3.077 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886815376 627208136 /nfs/dbraw/zinc/20/81/36/627208136.db2.gz COZNHKRWASSQPF-DOMZBBRYSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886830911 627209727 /nfs/dbraw/zinc/20/97/27/627209727.db2.gz ZRENTOBWTZRLPA-ABAIWWIYSA-N 1 0 310.781 3.249 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCC[NH+]1CCCC1 ZINC000811485926 627280565 /nfs/dbraw/zinc/28/05/65/627280565.db2.gz ARHMRTAONKTDTK-UHFFFAOYSA-N 1 0 318.204 3.087 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000811867245 627331783 /nfs/dbraw/zinc/33/17/83/627331783.db2.gz MSPMORPTJDQGOP-NSHDSACASA-N 1 0 310.354 3.035 20 5 DGBDRO COC(=O)[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC(C)C ZINC000813333375 627479501 /nfs/dbraw/zinc/47/95/01/627479501.db2.gz MGEZPKNIQUDJCI-VFADXPBXSA-N 1 0 320.389 3.033 20 5 DGBDRO Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000814852662 627598396 /nfs/dbraw/zinc/59/83/96/627598396.db2.gz JUKMBPPBNDNQKA-CYBMUJFWSA-N 1 0 323.824 3.479 20 5 DGBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000815144303 627636401 /nfs/dbraw/zinc/63/64/01/627636401.db2.gz YDMWEMVARNLLQR-MRXNPFEDSA-N 1 0 323.824 3.166 20 5 DGBDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566216 627685596 /nfs/dbraw/zinc/68/55/96/627685596.db2.gz LYWYDVXQSITBGP-LLVKDONJSA-N 1 0 319.336 3.046 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000815585669 627687852 /nfs/dbraw/zinc/68/78/52/627687852.db2.gz OVVDYMXMVALBLT-NHYWBVRUSA-N 1 0 307.394 3.033 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597110 627688994 /nfs/dbraw/zinc/68/89/94/627688994.db2.gz MQKRTWILZPDIDO-NSHDSACASA-N 1 0 313.357 3.058 20 5 DGBDRO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815614877 627690898 /nfs/dbraw/zinc/69/08/98/627690898.db2.gz CPAVSMXUIQVAGB-UWVGGRQHSA-N 1 0 304.325 3.123 20 5 DGBDRO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815624459 627692300 /nfs/dbraw/zinc/69/23/00/627692300.db2.gz ZAQAVXZRXCIBQJ-CRWXNKLISA-N 1 0 321.421 3.421 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(Br)CC1 ZINC000924955838 627697120 /nfs/dbraw/zinc/69/71/20/627697120.db2.gz RISKRPSGQYICIK-JTQLQIEISA-N 1 0 313.195 3.043 20 5 DGBDRO C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccnn1C1CCC1 ZINC000925310441 627729079 /nfs/dbraw/zinc/72/90/79/627729079.db2.gz MEVSOEDELKIHKC-GFCCVEGCSA-N 1 0 300.362 3.367 20 5 DGBDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000925514536 627745327 /nfs/dbraw/zinc/74/53/27/627745327.db2.gz QOEPMOUSXYJBFZ-ZFWWWQNUSA-N 1 0 312.797 3.399 20 5 DGBDRO C[C@H]([NH3+])[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000925582124 627758745 /nfs/dbraw/zinc/75/87/45/627758745.db2.gz XNNKRJGVSQDKLY-MEDUHNTESA-N 1 0 319.792 3.426 20 5 DGBDRO C[C@@H]([NH3+])[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000925582123 627758778 /nfs/dbraw/zinc/75/87/78/627758778.db2.gz XNNKRJGVSQDKLY-BZNIZROVSA-N 1 0 319.792 3.426 20 5 DGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnn(C2CCC2)c1 ZINC000925639244 627767054 /nfs/dbraw/zinc/76/70/54/627767054.db2.gz AMWPQFWJPJVZGD-ZDUSSCGKSA-N 1 0 314.389 3.410 20 5 DGBDRO CC(C)([NH3+])CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000925740321 627785121 /nfs/dbraw/zinc/78/51/21/627785121.db2.gz ITAWRYQGMHTMGL-KRWDZBQOSA-N 1 0 313.401 3.401 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CCC([NH+](C)C)CC1 ZINC000817125669 627858131 /nfs/dbraw/zinc/85/81/31/627858131.db2.gz SQZDITWKYKNHGA-UHFFFAOYSA-N 1 0 305.378 3.082 20 5 DGBDRO C[C@@H]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C[NH3+] ZINC000817865900 627951940 /nfs/dbraw/zinc/95/19/40/627951940.db2.gz OIXQIAHPZRENJZ-WZRBSPASSA-N 1 0 311.813 3.053 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817907891 627958743 /nfs/dbraw/zinc/95/87/43/627958743.db2.gz YNWXZGMCTGSALB-VNQPRFMTSA-N 1 0 323.824 3.259 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926915203 627979781 /nfs/dbraw/zinc/97/97/81/627979781.db2.gz FIHPIEILVSGMPI-DJIMGWMZSA-N 1 0 302.374 3.131 20 5 DGBDRO CC[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc([N+](=O)[O-])c1 ZINC000926941776 627986035 /nfs/dbraw/zinc/98/60/35/627986035.db2.gz IPHCGKNWHFFJSM-HDEZJCGLSA-N 1 0 302.374 3.227 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000927057503 628004350 /nfs/dbraw/zinc/00/43/50/628004350.db2.gz KOQLNRUZNXGTHP-MIGQKNRLSA-N 1 0 320.389 3.318 20 5 DGBDRO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000927065951 628006461 /nfs/dbraw/zinc/00/64/61/628006461.db2.gz BXLPGJJFWJJGKS-XGWLTEMNSA-N 1 0 304.390 3.451 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(C2CC2)nn1C ZINC000927100560 628014050 /nfs/dbraw/zinc/01/40/50/628014050.db2.gz YORSXLXYMGWGPZ-LBPRGKRZSA-N 1 0 314.389 3.365 20 5 DGBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000818966770 628069056 /nfs/dbraw/zinc/06/90/56/628069056.db2.gz OHHFBCKXNQZOPD-LYRGGWFBSA-N 1 0 316.357 3.134 20 5 DGBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819016037 628078707 /nfs/dbraw/zinc/07/87/07/628078707.db2.gz FVNUDMAVBNXYRY-KMFMINBZSA-N 1 0 306.406 3.433 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2C[C@H]2C2CCCCC2)c1 ZINC000819104877 628092843 /nfs/dbraw/zinc/09/28/43/628092843.db2.gz VZNISNOVVFHZLR-YESZJQIVSA-N 1 0 304.390 3.187 20 5 DGBDRO Cc1ccc(CC[C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000819114465 628094440 /nfs/dbraw/zinc/09/44/40/628094440.db2.gz WEEBFCWITUAIFF-SJCJKPOMSA-N 1 0 318.373 3.141 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000819234036 628117612 /nfs/dbraw/zinc/11/76/12/628117612.db2.gz VNFVKOIKYJVRJS-GJZGRUSLSA-N 1 0 318.398 3.357 20 5 DGBDRO C[C@H]1[C@H](NC(=O)c2cc3ccccc3c3cccnc23)CC[N@@H+]1C ZINC000928458161 628153007 /nfs/dbraw/zinc/15/30/07/628153007.db2.gz RMPJJCIJLVTICW-SCLBCKFNSA-N 1 0 319.408 3.210 20 5 DGBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1C(C)=O ZINC000819931042 628200820 /nfs/dbraw/zinc/20/08/20/628200820.db2.gz IMCXDPIFQUOMQZ-UHFFFAOYSA-N 1 0 319.405 3.110 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000822517386 628461036 /nfs/dbraw/zinc/46/10/36/628461036.db2.gz WWMANVQJLHPWMD-SFHVURJKSA-N 1 0 314.385 3.243 20 5 DGBDRO Cc1c(-c2noc([C@@H]3C[C@H](C)CC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000823269627 628544118 /nfs/dbraw/zinc/54/41/18/628544118.db2.gz JNAFSWHXKSCOGL-SKDRFNHKSA-N 1 0 302.334 3.014 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)cc1 ZINC000824820719 628697493 /nfs/dbraw/zinc/69/74/93/628697493.db2.gz LCKCDYOSKWGMRW-RDJZCZTQSA-N 1 0 302.374 3.467 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cc1Cl ZINC000824845372 628699340 /nfs/dbraw/zinc/69/93/40/628699340.db2.gz KHPDCYCJYHIKQH-CJNGLKHVSA-N 1 0 324.808 3.135 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](CO)CC(C)(C)C ZINC000825040451 628719635 /nfs/dbraw/zinc/71/96/35/628719635.db2.gz KQPLXLWKMUAVLC-LBPRGKRZSA-N 1 0 314.813 3.477 20 5 DGBDRO COC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000825321989 628748923 /nfs/dbraw/zinc/74/89/23/628748923.db2.gz UHXBIMADTQRUHU-GFCCVEGCSA-N 1 0 312.797 3.497 20 5 DGBDRO COC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825321575 628749007 /nfs/dbraw/zinc/74/90/07/628749007.db2.gz HLRYTCJNGXHHCF-LBPRGKRZSA-N 1 0 312.797 3.497 20 5 DGBDRO C[C@H]1CCC[N@@H+]1CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000827695914 628983487 /nfs/dbraw/zinc/98/34/87/628983487.db2.gz FHXWNOZVBNBXFU-LBPRGKRZSA-N 1 0 300.362 3.039 20 5 DGBDRO C[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000828263298 629039357 /nfs/dbraw/zinc/03/93/57/629039357.db2.gz AMFWRUFGDSXBHZ-LLVKDONJSA-N 1 0 309.797 3.169 20 5 DGBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+](C3CCC3)CC2)c1 ZINC000829321990 629149712 /nfs/dbraw/zinc/14/97/12/629149712.db2.gz MPAKMTOSTUKOOC-UHFFFAOYSA-N 1 0 323.368 3.171 20 5 DGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCCC[NH+]1CCCCC1 ZINC000830369548 629260095 /nfs/dbraw/zinc/26/00/95/629260095.db2.gz LRQPDVKCWITTSA-UHFFFAOYSA-N 1 0 324.352 3.075 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000830989205 629327157 /nfs/dbraw/zinc/32/71/57/629327157.db2.gz UMGFSXXFTAHBFP-DLBZAZTESA-N 1 0 304.390 3.283 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000830988283 629327336 /nfs/dbraw/zinc/32/73/36/629327336.db2.gz JNBNGWALXYASIY-IAGOWNOFSA-N 1 0 304.390 3.283 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000831315385 629361584 /nfs/dbraw/zinc/36/15/84/629361584.db2.gz ZHJCXFBIXVAPBQ-LSDHHAIUSA-N 1 0 308.353 3.171 20 5 DGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000834675256 629754348 /nfs/dbraw/zinc/75/43/48/629754348.db2.gz DNTNFHKRGPTJGU-KGLIPLIRSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834909780 629806827 /nfs/dbraw/zinc/80/68/27/629806827.db2.gz MDNZSTVMSKVKJM-RYUDHWBXSA-N 1 0 307.394 3.033 20 5 DGBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841107173 630409016 /nfs/dbraw/zinc/40/90/16/630409016.db2.gz XVGVZGPXEQRQBP-CYBMUJFWSA-N 1 0 317.776 3.138 20 5 DGBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)C ZINC000841888084 630472964 /nfs/dbraw/zinc/47/29/64/630472964.db2.gz DKLGFAMKORGSBX-LBPRGKRZSA-N 1 0 300.786 3.399 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)C ZINC000841888083 630473044 /nfs/dbraw/zinc/47/30/44/630473044.db2.gz DKLGFAMKORGSBX-GFCCVEGCSA-N 1 0 300.786 3.399 20 5 DGBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[NH2+]C23CCCC3)cc1Cl ZINC000843127710 630617134 /nfs/dbraw/zinc/61/71/34/630617134.db2.gz HEVNIYCKXBVKAX-AWEZNQCLSA-N 1 0 309.797 3.013 20 5 DGBDRO Cc1c(-c2noc(CCCCCC[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843237938 630637756 /nfs/dbraw/zinc/63/77/56/630637756.db2.gz IQQZONLHDMPDMK-UHFFFAOYSA-N 1 0 304.350 3.015 20 5 DGBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844379786 630722871 /nfs/dbraw/zinc/72/28/71/630722871.db2.gz PSIVMTOLEBRVLU-GWCFXTLKSA-N 1 0 300.786 3.135 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844438367 630729772 /nfs/dbraw/zinc/72/97/72/630729772.db2.gz XMTPMUIIRUCOEF-CQSZACIVSA-N 1 0 312.316 3.225 20 5 DGBDRO C[C@@H](C(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000845734518 631192543 /nfs/dbraw/zinc/19/25/43/631192543.db2.gz GBCZZEQEGWQUSY-IUODEOHRSA-N 1 0 320.389 3.114 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1Cl ZINC000846117808 631210559 /nfs/dbraw/zinc/21/05/59/631210559.db2.gz RQIBAVDXPBCRGK-GFCCVEGCSA-N 1 0 302.708 3.479 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H](OC2CCC2)C1 ZINC000847038292 631387963 /nfs/dbraw/zinc/38/79/63/631387963.db2.gz SYCFQHGSQMISKR-HNNXBMFYSA-N 1 0 308.353 3.267 20 5 DGBDRO CC[N@H+](CCSC)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848489861 631669855 /nfs/dbraw/zinc/66/98/55/631669855.db2.gz TXTITKMZDPGEDN-UHFFFAOYSA-N 1 0 320.418 3.101 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(Cl)nc1 ZINC000848520460 631675429 /nfs/dbraw/zinc/67/54/29/631675429.db2.gz JHWVYAAHTBKHKE-ZDUSSCGKSA-N 1 0 303.749 3.420 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCCC1 ZINC000848521418 631675803 /nfs/dbraw/zinc/67/58/03/631675803.db2.gz OFFHVHVBUWJHFE-XJKSGUPXSA-N 1 0 303.406 3.046 20 5 DGBDRO C[C@@](O)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000848530106 631679852 /nfs/dbraw/zinc/67/98/52/631679852.db2.gz BVYATALIENKNTA-FUHWJXTLSA-N 1 0 312.369 3.079 20 5 DGBDRO C[C@@](O)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000848530107 631680213 /nfs/dbraw/zinc/68/02/13/631680213.db2.gz BVYATALIENKNTA-SJLPKXTDSA-N 1 0 312.369 3.079 20 5 DGBDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848531564 631681282 /nfs/dbraw/zinc/68/12/82/631681282.db2.gz SKSVBRMKHOOTIP-SJLPKXTDSA-N 1 0 312.369 3.214 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848533942 631682235 /nfs/dbraw/zinc/68/22/35/631682235.db2.gz WNEZBWIRZMXMAN-HNNXBMFYSA-N 1 0 313.313 3.280 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000848550410 631689399 /nfs/dbraw/zinc/68/93/99/631689399.db2.gz MFKWPCCRGZSDPH-IWEFOYFVSA-N 1 0 312.369 3.294 20 5 DGBDRO COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848564184 631694976 /nfs/dbraw/zinc/69/49/76/631694976.db2.gz JAWUTUVBQPVFLW-AAEUAGOBSA-N 1 0 309.410 3.279 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000848567770 631695960 /nfs/dbraw/zinc/69/59/60/631695960.db2.gz NTALEIQWESZOQO-WPGHFRTFSA-N 1 0 307.394 3.175 20 5 DGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000848567769 631695989 /nfs/dbraw/zinc/69/59/89/631695989.db2.gz NTALEIQWESZOQO-PJODQICGSA-N 1 0 307.394 3.175 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848575493 631700908 /nfs/dbraw/zinc/70/09/08/631700908.db2.gz RILYNIAUIDYFJR-JKSUJKDBSA-N 1 0 323.824 3.355 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1Cl ZINC000848927633 631790846 /nfs/dbraw/zinc/79/08/46/631790846.db2.gz JLCUUYVTQHAGNQ-GDBMZVCRSA-N 1 0 323.824 3.355 20 5 DGBDRO CCc1ccc(NC(=[NH2+])NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000849065044 631824378 /nfs/dbraw/zinc/82/43/78/631824378.db2.gz LMQGBJCMCXFMTP-UHFFFAOYSA-N 1 0 312.373 3.336 20 5 DGBDRO C[C@@H]1CCCN(C(=[NH2+])NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000849077043 631828651 /nfs/dbraw/zinc/82/86/51/631828651.db2.gz IDUDMHBBFQQAGQ-LLVKDONJSA-N 1 0 324.812 3.047 20 5 DGBDRO [NH2+]=C(NCc1cccc([N+](=O)[O-])c1)Nc1cc(F)ccc1F ZINC000849080761 631829630 /nfs/dbraw/zinc/82/96/30/631829630.db2.gz QGNQBFDAQNMERW-UHFFFAOYSA-N 1 0 306.272 3.009 20 5 DGBDRO Cc1ccc(CNC(=[NH2+])NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000849092742 631834034 /nfs/dbraw/zinc/83/40/34/631834034.db2.gz CSZKRAFZPSGMQC-UHFFFAOYSA-N 1 0 312.373 3.026 20 5 DGBDRO Cc1ccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000849329127 631893164 /nfs/dbraw/zinc/89/31/64/631893164.db2.gz MQYOZGPOKZRSCF-SFHVURJKSA-N 1 0 314.385 3.077 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000850351736 632121839 /nfs/dbraw/zinc/12/18/39/632121839.db2.gz SGFMPSPOPRQFLZ-ZDUSSCGKSA-N 1 0 311.813 3.211 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850371098 632128687 /nfs/dbraw/zinc/12/86/87/632128687.db2.gz YKWUYTKQASCQDZ-XETPBLJFSA-N 1 0 302.374 3.299 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNc1ccccc1 ZINC000850439881 632153718 /nfs/dbraw/zinc/15/37/18/632153718.db2.gz PTMFHTKTRICHIN-CYBMUJFWSA-N 1 0 315.373 3.366 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000850525794 632180593 /nfs/dbraw/zinc/18/05/93/632180593.db2.gz QTKBXGIZLZPTCO-GXTWGEPZSA-N 1 0 320.389 3.356 20 5 DGBDRO C[C@H]([NH2+]CCC1SCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850568832 632197667 /nfs/dbraw/zinc/19/76/67/632197667.db2.gz KNKAXJRWYNBNKV-VIFPVBQESA-N 1 0 313.448 3.024 20 5 DGBDRO CC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851824340 632503116 /nfs/dbraw/zinc/50/31/16/632503116.db2.gz FRCQOKPHFPKVLA-UHFFFAOYSA-N 1 0 303.337 3.194 20 5 DGBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000852193272 632568744 /nfs/dbraw/zinc/56/87/44/632568744.db2.gz ZVQKZNCYRHENNJ-QGZVFWFLSA-N 1 0 318.348 3.073 20 5 DGBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792879391 660991016 /nfs/dbraw/zinc/99/10/16/660991016.db2.gz HIPADURREWJINJ-UTUOFQBUSA-N 1 0 307.350 3.369 20 5 DGBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792879392 660990991 /nfs/dbraw/zinc/99/09/91/660990991.db2.gz HIPADURREWJINJ-WOPDTQHZSA-N 1 0 307.350 3.369 20 5 DGBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000793004376 661000005 /nfs/dbraw/zinc/00/00/05/661000005.db2.gz LJBZJJMALIORIB-HZPDHXFCSA-N 1 0 304.390 3.139 20 5 DGBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000793004372 661000032 /nfs/dbraw/zinc/00/00/32/661000032.db2.gz LJBZJJMALIORIB-CVEARBPZSA-N 1 0 304.390 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(C(F)F)cc2)cc1 ZINC000793043835 661001984 /nfs/dbraw/zinc/00/19/84/661001984.db2.gz VEJCVPYWWYEVGQ-HNNXBMFYSA-N 1 0 322.311 3.356 20 5 DGBDRO Cc1cccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000794640478 661095822 /nfs/dbraw/zinc/09/58/22/661095822.db2.gz GTQHGVNAMXCLER-GOSISDBHSA-N 1 0 314.385 3.377 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccnc1F)C1CC1 ZINC000794832949 661108076 /nfs/dbraw/zinc/10/80/76/661108076.db2.gz FEEBFDYZLPFUOQ-OAHLLOKOSA-N 1 0 315.348 3.240 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CCN(c1cc[nH+]c3c(O)cccc13)C2 ZINC000795116287 661127845 /nfs/dbraw/zinc/12/78/45/661127845.db2.gz HRWZCRMISHLACO-UHFFFAOYSA-N 1 0 321.336 3.411 20 5 DGBDRO COc1ccc(C[NH+]2CCC(F)(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000932630254 655586189 /nfs/dbraw/zinc/58/61/89/655586189.db2.gz NWEFGCGQQQFXPM-UHFFFAOYSA-N 1 0 308.353 3.318 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933916450 655738330 /nfs/dbraw/zinc/73/83/30/655738330.db2.gz RCJOHNUXMYQEMT-OAHLLOKOSA-N 1 0 310.394 3.451 20 5 DGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1[N+](=O)[O-] ZINC000052589549 655827054 /nfs/dbraw/zinc/82/70/54/655827054.db2.gz BYAIHUQFRXRDGO-UHFFFAOYSA-N 1 0 315.329 3.178 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000235443412 655906041 /nfs/dbraw/zinc/90/60/41/655906041.db2.gz NXWHICIKQCDUNF-BDAKNGLRSA-N 1 0 301.749 3.282 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCCCCCC1 ZINC000003538905 655947482 /nfs/dbraw/zinc/94/74/82/655947482.db2.gz FXQSQEHRJBZUFM-UHFFFAOYSA-N 1 0 305.378 3.108 20 5 DGBDRO CC[C@H]([NH2+]C[C@H](C)CC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000715915081 661215923 /nfs/dbraw/zinc/21/59/23/661215923.db2.gz FWTREDACLJPTMT-CJNGLKHVSA-N 1 0 322.405 3.425 20 5 DGBDRO CC(C)[N@H+](C)CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000310976514 656163313 /nfs/dbraw/zinc/16/33/13/656163313.db2.gz SHMQEURKFAWSLD-UHFFFAOYSA-N 1 0 316.199 3.109 20 5 DGBDRO C[C@@H](c1ccc(F)nc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930354650 661274129 /nfs/dbraw/zinc/27/41/29/661274129.db2.gz RKJQDBCIYCTWDA-LBPRGKRZSA-N 1 0 303.337 3.364 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000178569511 656927406 /nfs/dbraw/zinc/92/74/06/656927406.db2.gz TXJGDMICLVZHJM-QZTJIDSGSA-N 1 0 312.369 3.369 20 5 DGBDRO CCC[N@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000057104968 659004008 /nfs/dbraw/zinc/00/40/08/659004008.db2.gz NCNJSEJUOXGPDC-INIZCTEOSA-N 1 0 314.389 3.018 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(CO)CCCCC2)c1 ZINC000157386638 659055078 /nfs/dbraw/zinc/05/50/78/659055078.db2.gz WGYSKEWTGHCOHA-UHFFFAOYSA-N 1 0 312.797 3.281 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2ccsc2)c(Cl)c1 ZINC000230143491 659312061 /nfs/dbraw/zinc/31/20/61/659312061.db2.gz CLXSNRFMYBEDMS-CYBMUJFWSA-N 1 0 312.778 3.133 20 5 DGBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000174725716 659540879 /nfs/dbraw/zinc/54/08/79/659540879.db2.gz YOHPHSJFVCBYBI-GOSISDBHSA-N 1 0 314.385 3.459 20 5 DGBDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CC[N+](=O)[O-] ZINC000929837324 659673965 /nfs/dbraw/zinc/67/39/65/659673965.db2.gz YUSMJQWVLGGQOP-GFCCVEGCSA-N 1 0 305.403 3.388 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000444797139 659887543 /nfs/dbraw/zinc/88/75/43/659887543.db2.gz CMBNYWOHBYEQGY-KGLIPLIRSA-N 1 0 314.389 3.269 20 5 DGBDRO CCC(O)(CC)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000180664127 659967623 /nfs/dbraw/zinc/96/76/23/659967623.db2.gz SCGBCIJYJHPDCE-UHFFFAOYSA-N 1 0 300.786 3.231 20 5 DGBDRO C[C@@H]1C[C@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000930438435 661398537 /nfs/dbraw/zinc/39/85/37/661398537.db2.gz AJTPVLHMYPOJSM-FICVDOATSA-N 1 0 306.406 3.273 20 5 DGBDRO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000930638318 661417564 /nfs/dbraw/zinc/41/75/64/661417564.db2.gz NBRIRUKLBWHLLW-OAHLLOKOSA-N 1 0 314.389 3.314 20 5 DGBDRO Cc1nc([C@@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)no1 ZINC000931938232 661524449 /nfs/dbraw/zinc/52/44/49/661524449.db2.gz LPDNMCMMGUBBKT-DGCLKSJQSA-N 1 0 316.361 3.145 20 5 DGBDRO COC(=O)C[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000932105781 661536969 /nfs/dbraw/zinc/53/69/69/661536969.db2.gz WXNDPIWCSXGYEC-HZSPNIEDSA-N 1 0 320.389 3.095 20 5 DGBDRO C[C@@H]([NH2+]CC[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932177233 661544667 /nfs/dbraw/zinc/54/46/67/661544667.db2.gz UADWELWXUFFKJV-DYVFJYSZSA-N 1 0 300.358 3.369 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000932181484 661545253 /nfs/dbraw/zinc/54/52/53/661545253.db2.gz VHFUFOAAKSWQMA-QLJPJBMISA-N 1 0 322.311 3.257 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2ccccn2)C2CC2)cc1 ZINC000932376697 661563348 /nfs/dbraw/zinc/56/33/48/661563348.db2.gz CQXPIHODTINIRG-KRWDZBQOSA-N 1 0 313.357 3.110 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)c1 ZINC000932888632 661606278 /nfs/dbraw/zinc/60/62/78/661606278.db2.gz BERIZMNJQDWIOP-NXHRZFHOSA-N 1 0 316.401 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)cc1 ZINC000932888747 661606431 /nfs/dbraw/zinc/60/64/31/661606431.db2.gz LITUVUWJUOMWLH-KBAYOESNSA-N 1 0 316.401 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC23CCCCC3)cc1F ZINC000933870930 661664132 /nfs/dbraw/zinc/66/41/32/661664132.db2.gz MZMCSQDKSQIIGC-HNNXBMFYSA-N 1 0 308.353 3.315 20 5 DGBDRO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000934208966 661688203 /nfs/dbraw/zinc/68/82/03/661688203.db2.gz HKUNWHLGPOFZAG-HZPDHXFCSA-N 1 0 319.405 3.035 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934626999 661720185 /nfs/dbraw/zinc/72/01/85/661720185.db2.gz YJOZLTPJKGXKII-IUODEOHRSA-N 1 0 317.389 3.176 20 5 DGBDRO C[C@]12CSC[C@H]1C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000934767901 661733163 /nfs/dbraw/zinc/73/31/63/661733163.db2.gz AMCXIEUHHTVNTK-RISCZKNCSA-N 1 0 312.822 3.433 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000934837653 661739641 /nfs/dbraw/zinc/73/96/41/661739641.db2.gz UZWDVOKYIMPCCW-CVEARBPZSA-N 1 0 304.390 3.233 20 5 DGBDRO CCOC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000188866859 661949634 /nfs/dbraw/zinc/94/96/34/661949634.db2.gz LCOOBPPJCNORGV-CQSZACIVSA-N 1 0 300.786 3.399 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCCn1ccnc1 ZINC000084439918 662200915 /nfs/dbraw/zinc/20/09/15/662200915.db2.gz PQIFDGWHARVVAL-UHFFFAOYSA-N 1 0 308.769 3.015 20 5 DGBDRO C[N@H+](CCCNCc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000037901200 662261990 /nfs/dbraw/zinc/26/19/90/662261990.db2.gz RTTNBSRCKCBLLT-UHFFFAOYSA-N 1 0 311.451 3.401 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2ccccc2Cl)cc1 ZINC000037894581 662262303 /nfs/dbraw/zinc/26/23/03/662262303.db2.gz VUIAOQQFKOIYPN-HNNXBMFYSA-N 1 0 306.749 3.071 20 5 DGBDRO C[C@H]1CCCC[C@]1(C[NH3+])NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576689978 1191862773 /nfs/dbraw/zinc/86/27/73/1191862773.db2.gz GGWOYFXZUHSXQY-XHDPSFHLSA-N 1 0 311.813 3.245 20 5 DGBDRO CCC[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001577385832 1191896864 /nfs/dbraw/zinc/89/68/64/1191896864.db2.gz UTZZMVORQNZXCJ-LLVKDONJSA-N 1 0 317.311 3.192 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)c1 ZINC001579734358 1191989504 /nfs/dbraw/zinc/98/95/04/1191989504.db2.gz GAPQUNDYIIEWLE-UHFFFAOYSA-N 1 0 313.357 3.349 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001580177383 1192012282 /nfs/dbraw/zinc/01/22/82/1192012282.db2.gz WHNHKZXMNGJQQZ-DTWKUNHWSA-N 1 0 303.284 3.295 20 5 DGBDRO O=[N+]([O-])c1c(NCC[C@@H]2CCC[NH2+]CC2)ccc2cnccc21 ZINC001580874785 1192043350 /nfs/dbraw/zinc/04/33/50/1192043350.db2.gz IGHAUUAEFSLEGV-CYBMUJFWSA-N 1 0 314.389 3.335 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)nc2c1 ZINC001331084106 1178131027 /nfs/dbraw/zinc/13/10/27/1178131027.db2.gz SYAZTUMNBMROIE-DVVUODLYSA-N 1 0 323.299 3.259 20 5 DGBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC001331727439 1178275214 /nfs/dbraw/zinc/27/52/14/1178275214.db2.gz GFEYUIAXUYXTNV-XUJLQICISA-N 1 0 318.352 3.375 20 5 DGBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001331742209 1178277304 /nfs/dbraw/zinc/27/73/04/1178277304.db2.gz BGVIJXOOLDBGDV-UHFFFAOYSA-N 1 0 314.769 3.022 20 5 DGBDRO C[C@](O)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC001334964384 1178836595 /nfs/dbraw/zinc/83/65/95/1178836595.db2.gz FWFGOZYHGVFMGY-INIZCTEOSA-N 1 0 320.776 3.246 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001335132887 1178858124 /nfs/dbraw/zinc/85/81/24/1178858124.db2.gz YQENWXKUIATMDN-ZNMIVQPWSA-N 1 0 303.406 3.070 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2C2CC2)cc1[N+](=O)[O-] ZINC001335472204 1178915947 /nfs/dbraw/zinc/91/59/47/1178915947.db2.gz WQBBHBMSCQZUTI-GFCCVEGCSA-N 1 0 314.389 3.365 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[NH+]1CCCC1 ZINC001335836750 1178961949 /nfs/dbraw/zinc/96/19/49/1178961949.db2.gz FQENQRBLFZHBLG-ZDUSSCGKSA-N 1 0 323.462 3.453 20 5 DGBDRO CC[C@H]1[NH2+]CC[C@@H]1c1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001345670355 1179591583 /nfs/dbraw/zinc/59/15/83/1179591583.db2.gz TUEXZPMISKBQMW-WCQYABFASA-N 1 0 316.361 3.117 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC001346263357 1179677682 /nfs/dbraw/zinc/67/76/82/1179677682.db2.gz HNCOZCICVNYZHO-NXHRZFHOSA-N 1 0 312.369 3.022 20 5 DGBDRO C[C@H](CC[NH+]1CCCC1)OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001346706126 1179737037 /nfs/dbraw/zinc/73/70/37/1179737037.db2.gz GLKAKSAMVVMBFI-KGLIPLIRSA-N 1 0 320.389 3.116 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@@H](CCF)C2)c2ccc([N+](=O)[O-])cc12 ZINC001347238707 1179786966 /nfs/dbraw/zinc/78/69/66/1179786966.db2.gz RXOPNKHNQFCSEG-ZDUSSCGKSA-N 1 0 320.368 3.282 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2C[C@@H](C)CC[NH2+]2)n1 ZINC001349006749 1179865350 /nfs/dbraw/zinc/86/53/50/1179865350.db2.gz XXNHWZWSDYYDPL-TVQRCGJNSA-N 1 0 316.361 3.322 20 5 DGBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C[N@@H+]1C1CC1 ZINC001349995502 1179994018 /nfs/dbraw/zinc/99/40/18/1179994018.db2.gz QIVRIUXQNOYGCT-VXGBXAGGSA-N 1 0 312.373 3.180 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2C[C@]2(C)Br)cccc1[N+](=O)[O-] ZINC001352021277 1180280994 /nfs/dbraw/zinc/28/09/94/1180280994.db2.gz BGQDKUVGRUMDPF-YPMHNXCESA-N 1 0 313.195 3.166 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](CF)C2)c(Br)c1 ZINC001352943525 1180428093 /nfs/dbraw/zinc/42/80/93/1180428093.db2.gz ARSIDHAIHOSVJT-VIFPVBQESA-N 1 0 317.158 3.149 20 5 DGBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001458328226 1182514735 /nfs/dbraw/zinc/51/47/35/1182514735.db2.gz QKHPJXPGIUCNIU-UHFFFAOYSA-N 1 0 313.348 3.453 20 5 DGBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001458550168 1182539118 /nfs/dbraw/zinc/53/91/18/1182539118.db2.gz RTLKZFSHBBIEMP-SNVBAGLBSA-N 1 0 303.284 3.120 20 5 DGBDRO CC(C)(CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC001459702779 1182607038 /nfs/dbraw/zinc/60/70/38/1182607038.db2.gz ZISOZSGWAMPJTC-CQSZACIVSA-N 1 0 318.421 3.302 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001460004931 1182640139 /nfs/dbraw/zinc/64/01/39/1182640139.db2.gz KXNYSTNBBMUXNE-IRXDYDNUSA-N 1 0 304.390 3.027 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)O ZINC001460079031 1182649103 /nfs/dbraw/zinc/64/91/03/1182649103.db2.gz LRPPHSWGBBOHMV-ZDUSSCGKSA-N 1 0 300.786 3.133 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3ccco3)CC2)cc1 ZINC001460359225 1182682298 /nfs/dbraw/zinc/68/22/98/1182682298.db2.gz BVSKONRNUQRVDQ-UHFFFAOYSA-N 1 0 316.357 3.446 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)C2CCCC2)c(Cl)c1 ZINC001460853918 1182731781 /nfs/dbraw/zinc/73/17/81/1182731781.db2.gz WGDNUQWNKNTIOQ-OAHLLOKOSA-N 1 0 312.797 3.279 20 5 DGBDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001461690823 1182843446 /nfs/dbraw/zinc/84/34/46/1182843446.db2.gz ATYFVCPOCGHTNQ-AWEZNQCLSA-N 1 0 318.373 3.496 20 5 DGBDRO Cc1ccc(C[NH2+]CCc2c(F)cc(O)cc2F)cc1[N+](=O)[O-] ZINC001461788236 1182853758 /nfs/dbraw/zinc/85/37/58/1182853758.db2.gz VNXWYHZAYJGIDI-UHFFFAOYSA-N 1 0 322.311 3.219 20 5 DGBDRO C[NH+](C)C1(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001472810711 1183685153 /nfs/dbraw/zinc/68/51/53/1183685153.db2.gz UMOVYJWOOKXCPP-UHFFFAOYSA-N 1 0 304.177 3.408 20 5 DGBDRO CC[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC001472854084 1183690620 /nfs/dbraw/zinc/69/06/20/1183690620.db2.gz WGCYVYQMRWPHNS-DTWKUNHWSA-N 1 0 318.204 3.478 20 5 DGBDRO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC[N+](=O)[O-] ZINC001473286816 1183739536 /nfs/dbraw/zinc/73/95/36/1183739536.db2.gz NUEYNAXXCBSNAO-DNVCBOLYSA-N 1 0 310.397 3.342 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001473365344 1183748779 /nfs/dbraw/zinc/74/87/79/1183748779.db2.gz NDXVIMZBEAXSKC-OLZOCXBDSA-N 1 0 319.405 3.290 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001473393582 1183751164 /nfs/dbraw/zinc/75/11/64/1183751164.db2.gz WIYUPNLETDPXIW-AWEZNQCLSA-N 1 0 322.405 3.350 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC001473658650 1183787011 /nfs/dbraw/zinc/78/70/11/1183787011.db2.gz IQXIYUJWMSXFRE-GOSISDBHSA-N 1 0 312.369 3.291 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001473784714 1183801348 /nfs/dbraw/zinc/80/13/48/1183801348.db2.gz SCEMJLPOAGZMIT-OLZOCXBDSA-N 1 0 313.357 3.273 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001473893503 1183820756 /nfs/dbraw/zinc/82/07/56/1183820756.db2.gz QGADMBKECOUJNR-OAHLLOKOSA-N 1 0 308.353 3.173 20 5 DGBDRO Cc1cccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1C ZINC001473981346 1183842985 /nfs/dbraw/zinc/84/29/85/1183842985.db2.gz GREAHAYIRKAHBN-UHFFFAOYSA-N 1 0 300.358 3.380 20 5 DGBDRO COC1(OC)CC(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC001474303742 1183900985 /nfs/dbraw/zinc/90/09/85/1183900985.db2.gz OQZDONWBBGIWQG-UHFFFAOYSA-N 1 0 322.405 3.207 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC001474391312 1183914720 /nfs/dbraw/zinc/91/47/20/1183914720.db2.gz LOKGLCSWXMUIEB-YOEHRIQHSA-N 1 0 306.406 3.195 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2cnccc2o1 ZINC001474516611 1183933797 /nfs/dbraw/zinc/93/37/97/1183933797.db2.gz JTXLDHIANIUMRV-UHFFFAOYSA-N 1 0 311.341 3.411 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC001474697721 1183963448 /nfs/dbraw/zinc/96/34/48/1183963448.db2.gz CPNXBEVFLFXQLY-AWEZNQCLSA-N 1 0 306.406 3.195 20 5 DGBDRO O=[N+]([O-])c1ccc(NCc2ccc(Nc3cc[nH+]cc3)cc2)nc1 ZINC001612661727 1193458852 /nfs/dbraw/zinc/45/88/52/1193458852.db2.gz ROHOAJGOULVLKW-UHFFFAOYSA-N 1 0 321.340 3.162 20 5 DGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC2(CCC2)CO1 ZINC001617465855 1193570203 /nfs/dbraw/zinc/57/02/03/1193570203.db2.gz VAOXBZHQIBBORK-INIZCTEOSA-N 1 0 304.390 3.028 20 5 DGBDRO O=[N+]([O-])c1cccnc1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001559175130 1189178020 /nfs/dbraw/zinc/17/80/20/1189178020.db2.gz CRIVYTWDWSHWBU-UHFFFAOYSA-N 1 0 318.421 3.448 20 5 DGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001559204708 1189180363 /nfs/dbraw/zinc/18/03/63/1189180363.db2.gz QYGPZEMJLWZURE-LBPRGKRZSA-N 1 0 302.378 3.284 20 5 DGBDRO Cc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001559240140 1189185509 /nfs/dbraw/zinc/18/55/09/1189185509.db2.gz CYXUWBAMWXKPNW-AOOOYVTPSA-N 1 0 317.311 3.109 20 5 DGBDRO C[N@@H+]1CCCC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001559295950 1189194019 /nfs/dbraw/zinc/19/40/19/1189194019.db2.gz VIRPQNCXLGXPHJ-CYBMUJFWSA-N 1 0 300.362 3.039 20 5 DGBDRO CC[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H]1C ZINC001559768091 1189240553 /nfs/dbraw/zinc/24/05/53/1189240553.db2.gz CMZOMNMGHMMXEQ-QWHCGFSZSA-N 1 0 308.378 3.103 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@H]1[C@H]1CCCO1 ZINC001560224226 1189294082 /nfs/dbraw/zinc/29/40/82/1189294082.db2.gz ROGKARMLDIMFAF-JKSUJKDBSA-N 1 0 308.353 3.267 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC001560369129 1189319664 /nfs/dbraw/zinc/31/96/64/1189319664.db2.gz NYGIFRBKEPYEAM-SJORKVTESA-N 1 0 306.406 3.242 20 5 DGBDRO Cc1cc(C)c(/C=C/C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC001560383261 1189321296 /nfs/dbraw/zinc/32/12/96/1189321296.db2.gz UFBPGMYLHOZIRY-SNAWJCMRSA-N 1 0 314.389 3.020 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC001560433828 1189328397 /nfs/dbraw/zinc/32/83/97/1189328397.db2.gz AFUYXAFOLIIXRP-DMDPSCGWSA-N 1 0 308.378 3.223 20 5 DGBDRO C[C@@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)c1ccccc1[N+](=O)[O-] ZINC001576164452 1191534531 /nfs/dbraw/zinc/53/45/31/1191534531.db2.gz KHWRTDKCBUIPON-NWDGAFQWSA-N 1 0 313.357 3.106 20 5 DGBDRO CC(C)COCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001618029116 1193722340 /nfs/dbraw/zinc/72/23/40/1193722340.db2.gz YYHNMEFZYHAQSZ-MRXNPFEDSA-N 1 0 306.406 3.447 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001620643984 1193786264 /nfs/dbraw/zinc/78/62/64/1193786264.db2.gz VFGCUCKFELAGGY-CQSZACIVSA-N 1 0 319.405 3.496 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001620669711 1193789567 /nfs/dbraw/zinc/78/95/67/1193789567.db2.gz YECGLULGISIUOH-RDJZCZTQSA-N 1 0 320.389 3.137 20 5 DGBDRO Cc1ccc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001621288626 1193827189 /nfs/dbraw/zinc/82/71/89/1193827189.db2.gz OPHAFCQAKGUTIR-UHFFFAOYSA-N 1 0 310.357 3.112 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001621294618 1193827353 /nfs/dbraw/zinc/82/73/53/1193827353.db2.gz LEUOVYWEFGQRNM-OAHLLOKOSA-N 1 0 324.739 3.211 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CC[NH+]1CCCCC1 ZINC001621418041 1193840151 /nfs/dbraw/zinc/84/01/51/1193840151.db2.gz ZIDXELNEDNUDOL-UHFFFAOYSA-N 1 0 305.422 3.129 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001628176998 1194165198 /nfs/dbraw/zinc/16/51/98/1194165198.db2.gz AXMHPIYGCFSKOM-ZDUSSCGKSA-N 1 0 322.409 3.145 20 5 DGBDRO CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001637600620 1194677492 /nfs/dbraw/zinc/67/74/92/1194677492.db2.gz IPGACNDQKJHKOI-HNNXBMFYSA-N 1 0 321.421 3.140 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC001639249430 1194757423 /nfs/dbraw/zinc/75/74/23/1194757423.db2.gz JYXKGAODLAXPQF-UHFFFAOYSA-N 1 0 311.385 3.373 20 5 DGBDRO CN(CCC[NH+](C)C)c1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001639695611 1194777890 /nfs/dbraw/zinc/77/78/90/1194777890.db2.gz HSQOSHWIKYLHDF-UHFFFAOYSA-N 1 0 322.796 3.184 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001639982698 1194789853 /nfs/dbraw/zinc/78/98/53/1194789853.db2.gz LHOWBBBTDJSLPZ-CYBMUJFWSA-N 1 0 324.425 3.309 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001640149717 1194798810 /nfs/dbraw/zinc/79/88/10/1194798810.db2.gz OZGQBLBUHQERQZ-LLVKDONJSA-N 1 0 320.418 3.489 20 5 DGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001641921856 1194879659 /nfs/dbraw/zinc/87/96/59/1194879659.db2.gz WRRHEDFPDYPKJU-HNNXBMFYSA-N 1 0 319.405 3.434 20 5 DGBDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001642696020 1194929904 /nfs/dbraw/zinc/92/99/04/1194929904.db2.gz PBKAWDPIJRGUEB-OAHLLOKOSA-N 1 0 320.776 3.380 20 5 DGBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001642829662 1194944285 /nfs/dbraw/zinc/94/42/85/1194944285.db2.gz FMXRTZXLIAHPAO-VIFPVBQESA-N 1 0 318.204 3.432 20 5 DGBDRO CCC[C@@]1(COC)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001642897761 1194952138 /nfs/dbraw/zinc/95/21/38/1194952138.db2.gz QWUQIDCYRXSBMH-KRWDZBQOSA-N 1 0 322.405 3.255 20 5 DGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001642933058 1194954771 /nfs/dbraw/zinc/95/47/71/1194954771.db2.gz ZFHLZOOEAGVKIA-GFCCVEGCSA-N 1 0 317.393 3.003 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC001643056240 1194963811 /nfs/dbraw/zinc/96/38/11/1194963811.db2.gz BBUWHDLMUGPLRP-UHFFFAOYSA-N 1 0 306.406 3.154 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC001644394369 1195105387 /nfs/dbraw/zinc/10/53/87/1195105387.db2.gz AFKJIEFUOUOWLC-AWEZNQCLSA-N 1 0 316.405 3.410 20 5 DGBDRO CO[C@]1(C)C[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001644692142 1195127488 /nfs/dbraw/zinc/12/74/88/1195127488.db2.gz ZFEMVRAXJDTSDE-NVXWUHKLSA-N 1 0 322.405 3.109 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001645511303 1195190462 /nfs/dbraw/zinc/19/04/62/1195190462.db2.gz UUZADFHSELECQR-JKSUJKDBSA-N 1 0 322.405 3.287 20 5 DGBDRO C[C@@H]1COC2(CCCC2)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001647854582 1195259535 /nfs/dbraw/zinc/25/95/35/1195259535.db2.gz NWYBKFKGLYRTOS-CQSZACIVSA-N 1 0 320.389 3.007 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2([C@@H]3CCCCO3)CCC2)c1 ZINC001648131414 1195278909 /nfs/dbraw/zinc/27/89/09/1195278909.db2.gz DVEVXBPQIUQIAE-INIZCTEOSA-N 1 0 320.389 3.055 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)C2(C)CC2)cccc1[N+](=O)[O-] ZINC001648526393 1195306310 /nfs/dbraw/zinc/30/63/10/1195306310.db2.gz VENBBANLGNQWCK-NWDGAFQWSA-N 1 0 305.378 3.008 20 5 DGBDRO Cc1ccc(C[NH2+]CCOc2ccccc2F)cc1[N+](=O)[O-] ZINC001648745293 1195328238 /nfs/dbraw/zinc/32/82/38/1195328238.db2.gz XAONARVKXVOSDP-UHFFFAOYSA-N 1 0 304.321 3.211 20 5 DGBDRO C[N@@H+]1C[C@@H](CNc2ccsc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001651177551 1195423372 /nfs/dbraw/zinc/42/33/72/1195423372.db2.gz WJAACPKUTXFFKC-KGLIPLIRSA-N 1 0 317.414 3.414 20 5 DGBDRO CN(CCC[NH+](C)C)c1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001651683470 1195496366 /nfs/dbraw/zinc/49/63/66/1195496366.db2.gz SMHRZZHJJPNJQJ-UHFFFAOYSA-N 1 0 322.796 3.184 20 5 DGBDRO Cc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC001651993359 1195533886 /nfs/dbraw/zinc/53/38/86/1195533886.db2.gz QCAAPMTWSCSFQC-ZFWWWQNUSA-N 1 0 307.369 3.471 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001652085212 1195545563 /nfs/dbraw/zinc/54/55/63/1195545563.db2.gz JHLJNVGBGKFLBY-OAHLLOKOSA-N 1 0 303.406 3.437 20 5 DGBDRO Cc1ccc2cc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC001652380313 1195589292 /nfs/dbraw/zinc/58/92/92/1195589292.db2.gz DVMCDWQXEJOWQP-UHFFFAOYSA-N 1 0 324.384 3.350 20 5 DGBDRO C[C@](CO)([NH2+]CCC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001652955898 1195674813 /nfs/dbraw/zinc/67/48/13/1195674813.db2.gz OHSXTJLOOOVCHX-QGZVFWFLSA-N 1 0 306.406 3.362 20 5 DGBDRO CCC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001652963045 1195675887 /nfs/dbraw/zinc/67/58/87/1195675887.db2.gz FPMIEUWKULOKPP-DJIMGWMZSA-N 1 0 320.433 3.447 20 5 DGBDRO CC(C)(C)CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001653197143 1195697930 /nfs/dbraw/zinc/69/79/30/1195697930.db2.gz SUAMXDXJVUWYND-UHFFFAOYSA-N 1 0 323.412 3.288 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC001653769922 1195749049 /nfs/dbraw/zinc/74/90/49/1195749049.db2.gz QRPGKRLDDJNXRN-GXTWGEPZSA-N 1 0 308.426 3.246 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@]2(C)CCCC[C@H]2C)c1 ZINC001654665348 1195828304 /nfs/dbraw/zinc/82/83/04/1195828304.db2.gz OLTAMZYZPMCEOG-PXAZEXFGSA-N 1 0 320.389 3.440 20 5 DGBDRO Cc1nc(NCCC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001655724490 1195956092 /nfs/dbraw/zinc/95/60/92/1195956092.db2.gz ZSKXIYZYFIHPAG-UHFFFAOYSA-N 1 0 306.410 3.221 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCSC[C@H]2C2CC2)c1 ZINC001656314705 1196028923 /nfs/dbraw/zinc/02/89/23/1196028923.db2.gz FPUHASJYIZBMDP-INIZCTEOSA-N 1 0 322.430 3.191 20 5 DGBDRO Cc1cccnc1[C@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001656488359 1196043672 /nfs/dbraw/zinc/04/36/72/1196043672.db2.gz BONLRXNBKYNCGZ-AWEZNQCLSA-N 1 0 315.373 3.418 20 5 DGBDRO Cc1c(C[NH2+]C[C@H](C)Oc2ccccc2)cccc1[N+](=O)[O-] ZINC001656516842 1196046646 /nfs/dbraw/zinc/04/66/46/1196046646.db2.gz SOXBAUWKFAQUEL-ZDUSSCGKSA-N 1 0 300.358 3.460 20 5 DGBDRO CC[C@H](O)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001656587841 1196052685 /nfs/dbraw/zinc/05/26/85/1196052685.db2.gz XJDMLVYWVSTXBN-ZDUSSCGKSA-N 1 0 318.373 3.496 20 5 DGBDRO Cn1cc(Cl)c(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC001656648973 1196057873 /nfs/dbraw/zinc/05/78/73/1196057873.db2.gz VBXYYCKDNWTDDO-UHFFFAOYSA-N 1 0 322.796 3.094 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC001656819302 1196073182 /nfs/dbraw/zinc/07/31/82/1196073182.db2.gz SZSDNYOFWZBMGB-QGZVFWFLSA-N 1 0 306.406 3.242 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1([C@H](C)CCO)CCC1 ZINC001657023898 1196094663 /nfs/dbraw/zinc/09/46/63/1196094663.db2.gz ATPFXBSUJWDVSP-CQSZACIVSA-N 1 0 320.433 3.490 20 5 DGBDRO COc1ccc(C[NH2+]Cc2cc3cnccc3o2)cc1[N+](=O)[O-] ZINC001657136898 1196110162 /nfs/dbraw/zinc/11/01/62/1196110162.db2.gz NFKHERDDJAXZIG-UHFFFAOYSA-N 1 0 313.313 3.034 20 5 DGBDRO Cc1ncsc1CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001657539069 1196153370 /nfs/dbraw/zinc/15/33/70/1196153370.db2.gz HPIKPEUZWXADDD-UHFFFAOYSA-N 1 0 317.414 3.351 20 5 DGBDRO COc1ccc(C[NH2+]CCCc2cccs2)cc1[N+](=O)[O-] ZINC001657568435 1196156686 /nfs/dbraw/zinc/15/66/86/1196156686.db2.gz VCXGXSUMFXLFGA-UHFFFAOYSA-N 1 0 306.387 3.387 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC001657712600 1196171619 /nfs/dbraw/zinc/17/16/19/1196171619.db2.gz ARZJWTLKQRZWGC-UHFFFAOYSA-N 1 0 317.414 3.262 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC001658112257 1196212909 /nfs/dbraw/zinc/21/29/09/1196212909.db2.gz RNGCCTBJXGXBKV-OAHLLOKOSA-N 1 0 322.405 3.431 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)CCC(C)C ZINC001658285272 1196235620 /nfs/dbraw/zinc/23/56/20/1196235620.db2.gz VLBMCAABWIKLFO-MBSJSRAVSA-N 1 0 306.406 3.385 20 5 DGBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC001658341371 1196244728 /nfs/dbraw/zinc/24/47/28/1196244728.db2.gz RLBBGMYMJXPVQY-KGLIPLIRSA-N 1 0 319.405 3.352 20 5 DGBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001658598736 1196278443 /nfs/dbraw/zinc/27/84/43/1196278443.db2.gz MJSAOBNLHPMRRW-WNOSKKOXSA-N 1 0 304.390 3.073 20 5 DGBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001658652107 1196284258 /nfs/dbraw/zinc/28/42/58/1196284258.db2.gz PIIZENKMSPOEAY-BXUZGUMPSA-N 1 0 318.398 3.448 20 5 DGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2n[nH]cc21 ZINC001659187937 1196357580 /nfs/dbraw/zinc/35/75/80/1196357580.db2.gz UWXAMUIAIUZMLZ-UHFFFAOYSA-N 1 0 310.357 3.146 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1 ZINC001659889652 1196425856 /nfs/dbraw/zinc/42/58/56/1196425856.db2.gz QYGLQUDTZBWLFH-KBMXLJTQSA-N 1 0 324.808 3.374 20 5 DGBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C1CCCC1 ZINC001660164715 1196453804 /nfs/dbraw/zinc/45/38/04/1196453804.db2.gz AUJLBZPUKBDXDK-ZDUSSCGKSA-N 1 0 321.396 3.183 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(CC3CCCCC3)CC2)n1 ZINC001660377451 1196477257 /nfs/dbraw/zinc/47/72/57/1196477257.db2.gz HZUUZNKQCOKRRP-UHFFFAOYSA-N 1 0 320.437 3.474 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001660449341 1196485643 /nfs/dbraw/zinc/48/56/43/1196485643.db2.gz JQGRNTFJQPBMHE-OAHLLOKOSA-N 1 0 323.824 3.355 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCCSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001660542126 1196495415 /nfs/dbraw/zinc/49/54/15/1196495415.db2.gz GWQZVJZVJSJAMW-LBPRGKRZSA-N 1 0 310.419 3.321 20 5 DGBDRO CC(C)(C)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC001660682732 1196511983 /nfs/dbraw/zinc/51/19/83/1196511983.db2.gz HZYAELMLNCLGEI-MRXNPFEDSA-N 1 0 322.405 3.111 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@]12CCCOC2 ZINC001660701718 1196514589 /nfs/dbraw/zinc/51/45/89/1196514589.db2.gz WYYSLDLVHAQCRM-MRXNPFEDSA-N 1 0 308.353 3.269 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@H]2COC3(CCCCC3)O2)cc1[N+](=O)[O-] ZINC001662055823 1196677807 /nfs/dbraw/zinc/67/78/07/1196677807.db2.gz NDIPYRXLPOHMND-HNNXBMFYSA-N 1 0 320.389 3.069 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[C@@H]1CCCCO1 ZINC001662168278 1196689727 /nfs/dbraw/zinc/68/97/27/1196689727.db2.gz OKSGRHSKLPETDR-INIZCTEOSA-N 1 0 322.405 3.432 20 5 DGBDRO CCOc1cccc(F)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001662351022 1196711383 /nfs/dbraw/zinc/71/13/83/1196711383.db2.gz WTSQNKIZUGXAMR-UHFFFAOYSA-N 1 0 318.348 3.465 20 5 DGBDRO COc1ccc(C[NH2+]CC(C)(C)C2=CCOCC2)cc1[N+](=O)[O-] ZINC001663474860 1196880330 /nfs/dbraw/zinc/88/03/30/1196880330.db2.gz RZIDLWGFQUJFGD-UHFFFAOYSA-N 1 0 320.389 3.066 20 5 DGBDRO CC(C)(C)CC[C@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001664465825 1197002162 /nfs/dbraw/zinc/00/21/62/1197002162.db2.gz SPYYEURAZKNVND-LLVKDONJSA-N 1 0 321.377 3.013 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@@H]1CCC[NH2+]C1 ZINC000095027683 1198821341 /nfs/dbraw/zinc/82/13/41/1198821341.db2.gz QDVXYGNEDDGDGY-MRVPVSSYSA-N 1 0 305.161 3.280 20 5 DGBDRO CC(C)[C@@H]([NH3+])CCN(C)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000156797445 1202601356 /nfs/dbraw/zinc/60/13/56/1202601356.db2.gz AXZOHUYRHZHVBT-LBPRGKRZSA-N 1 0 301.337 3.342 20 5 DGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc2ccc3cccnc3c2n1 ZINC001164639306 719174111 /nfs/dbraw/zinc/17/41/11/719174111.db2.gz RMAVXRKXBGVJJI-UONOGXRCSA-N 1 0 306.413 3.312 20 5 DGBDRO C[NH+](C)CCC(C)(C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC001169717537 1081638607 /nfs/dbraw/zinc/63/86/07/1081638607.db2.gz BKLYBNLYPHHQMH-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO Cc1cc(N)[nH+]cc1Nc1c(N)c2cccnc2c2ncccc21 ZINC001209968960 1081849768 /nfs/dbraw/zinc/84/97/68/1081849768.db2.gz GKLCWNZELMZUOK-UHFFFAOYSA-N 1 0 316.368 3.394 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccs2)c([N+](=O)[O-])c1 ZINC001170294032 1082337303 /nfs/dbraw/zinc/33/73/03/1082337303.db2.gz OIFQOXXUQGNTHJ-NSHDSACASA-N 1 0 306.387 3.386 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C)cn2)c([N+](=O)[O-])c1 ZINC001170294607 1082337441 /nfs/dbraw/zinc/33/74/41/1082337441.db2.gz BVATVIQPIWGELN-ZDUSSCGKSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170298906 1082338347 /nfs/dbraw/zinc/33/83/47/1082338347.db2.gz OGDQITJHGFGVOI-CMPLNLGQSA-N 1 0 314.332 3.312 20 5 DGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ncccc2C)c([N+](=O)[O-])c1 ZINC001170298606 1082338448 /nfs/dbraw/zinc/33/84/48/1082338448.db2.gz MYWSVVGJDBFIGO-ZDUSSCGKSA-N 1 0 315.373 3.028 20 5 DGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170328051 1082347501 /nfs/dbraw/zinc/34/75/01/1082347501.db2.gz UHPZHUFFEMLHLM-YUELXQCFSA-N 1 0 322.405 3.082 20 5 DGBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC001170329927 1082347590 /nfs/dbraw/zinc/34/75/90/1082347590.db2.gz WYEPPPJEYIBZMP-CYBMUJFWSA-N 1 0 315.373 3.061 20 5 DGBDRO CC1(C)CCC[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC001167647289 1082640805 /nfs/dbraw/zinc/64/08/05/1082640805.db2.gz LPANXFOTDLZOHG-INIZCTEOSA-N 1 0 304.390 3.301 20 5 DGBDRO CCCC[NH+](CCCC)CCNc1nccc(OC)c1[N+](=O)[O-] ZINC001167732329 1083309884 /nfs/dbraw/zinc/30/98/84/1083309884.db2.gz XZDBAGTVFYAZQR-UHFFFAOYSA-N 1 0 324.425 3.313 20 5 DGBDRO CCCC[NH+](CCCC)CCNc1nc([N+](=O)[O-])ccc1OC ZINC001167733162 1083310865 /nfs/dbraw/zinc/31/08/65/1083310865.db2.gz OJZDYFBMFZBRGU-UHFFFAOYSA-N 1 0 324.425 3.313 20 5 DGBDRO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc([N+](=O)[O-])c1 ZINC001181022532 1083387298 /nfs/dbraw/zinc/38/72/98/1083387298.db2.gz XIAVDXORNRSXNQ-INIZCTEOSA-N 1 0 317.389 3.249 20 5 DGBDRO COc1cc(F)cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001181153501 1083421853 /nfs/dbraw/zinc/42/18/53/1083421853.db2.gz DHBCPERCKURMOW-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC001181234720 1083436928 /nfs/dbraw/zinc/43/69/28/1083436928.db2.gz OZRHOUBHKSCCGM-UPJWGTAASA-N 1 0 322.405 3.471 20 5 DGBDRO Cc1c(F)cnc(NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC001167750695 1083621254 /nfs/dbraw/zinc/62/12/54/1083621254.db2.gz BXYQRMKIOJNKKE-LLVKDONJSA-N 1 0 310.373 3.114 20 5 DGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cnc(Cl)cc1[N+](=O)[O-] ZINC001167751513 1083624960 /nfs/dbraw/zinc/62/49/60/1083624960.db2.gz JGNAPZLCBKENMQ-LLVKDONJSA-N 1 0 312.801 3.320 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC001184046096 1084094917 /nfs/dbraw/zinc/09/49/17/1084094917.db2.gz UDMLVPUYNHRXCD-DAXOMENPSA-N 1 0 304.390 3.246 20 5 DGBDRO CCOC(=O)CC(C)(C)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001184045576 1084095438 /nfs/dbraw/zinc/09/54/38/1084095438.db2.gz OHXUMOKVSOWRRE-CYBMUJFWSA-N 1 0 322.405 3.267 20 5 DGBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001186763705 1084696961 /nfs/dbraw/zinc/69/69/61/1084696961.db2.gz HXFKTPMATBPTPX-LLVKDONJSA-N 1 0 317.311 3.144 20 5 DGBDRO CC[N@@H+]1CC[C@H]1CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001187423834 1084799265 /nfs/dbraw/zinc/79/92/65/1084799265.db2.gz XIFZZDFRMWXECZ-JTQLQIEISA-N 1 0 317.311 3.428 20 5 DGBDRO CC[N@@H+]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C(C)(C)C1 ZINC001158562910 1087913122 /nfs/dbraw/zinc/91/31/22/1087913122.db2.gz MPQGSLHODYPETQ-UHFFFAOYSA-N 1 0 314.389 3.064 20 5 DGBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NCC[C@H]1CCC[NH2+]1 ZINC001158631739 1087950497 /nfs/dbraw/zinc/95/04/97/1087950497.db2.gz AOTTXNXCUSQNFQ-LLVKDONJSA-N 1 0 320.780 3.350 20 5 DGBDRO Cc1cnc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c([N+](=O)[O-])c1 ZINC001159948297 1088565832 /nfs/dbraw/zinc/56/58/32/1088565832.db2.gz UGDWNPLNJXRCDZ-LBPRGKRZSA-N 1 0 322.368 3.058 20 5 DGBDRO O=[N+]([O-])c1ccccc1Nc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001159948108 1088565926 /nfs/dbraw/zinc/56/59/26/1088565926.db2.gz DLDTYEIFLUNITM-OAHLLOKOSA-N 1 0 313.357 3.469 20 5 DGBDRO O=[N+]([O-])c1cccc(Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC001159949819 1088567005 /nfs/dbraw/zinc/56/70/05/1088567005.db2.gz SGIDRNIMIHSKLR-QGZVFWFLSA-N 1 0 313.357 3.469 20 5 DGBDRO [NH3+][C@H]1CCCN(c2ccccc2Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001159977637 1088583929 /nfs/dbraw/zinc/58/39/29/1088583929.db2.gz GDUXZNMSPXWCHV-ZDUSSCGKSA-N 1 0 312.373 3.266 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccccc1N1CC[C@@H]([NH3+])C1 ZINC001160040171 1088613249 /nfs/dbraw/zinc/61/32/49/1088613249.db2.gz MRIPVMKIWKIJNL-CYBMUJFWSA-N 1 0 312.373 3.184 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001155032416 1088906303 /nfs/dbraw/zinc/90/63/03/1088906303.db2.gz XPDNBPMJIIRVAR-OCCSQVGLSA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001155033993 1088910136 /nfs/dbraw/zinc/91/01/36/1088910136.db2.gz UZUNLRUMICZJHH-GXTWGEPZSA-N 1 0 314.389 3.191 20 5 DGBDRO [NH3+]Cc1ccccc1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001160912935 1089015625 /nfs/dbraw/zinc/01/56/25/1089015625.db2.gz ZLHMVWDQMZOQST-UHFFFAOYSA-N 1 0 308.341 3.214 20 5 DGBDRO Cc1cnc(-n2c(C[NH3+])cc3cc(Cl)ccc32)c([N+](=O)[O-])c1 ZINC001155989904 1089334034 /nfs/dbraw/zinc/33/40/34/1089334034.db2.gz RQDASWOWTUOSTF-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO CC(C)N(CCC[NH3+])c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001156118107 1089394773 /nfs/dbraw/zinc/39/47/73/1089394773.db2.gz RXEKCLIODAHGKM-UHFFFAOYSA-N 1 0 322.796 3.360 20 5 DGBDRO [NH3+]Cc1cn(-c2nc3c(ccc4ccccc43)nc2Cl)cn1 ZINC001162298188 1089664144 /nfs/dbraw/zinc/66/41/44/1089664144.db2.gz AYXAKVMTTOXRNB-UHFFFAOYSA-N 1 0 309.760 3.081 20 5 DGBDRO C[C@@]1([NH3+])C[C@H](Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001162328352 1089672408 /nfs/dbraw/zinc/67/24/08/1089672408.db2.gz PECXMNLSFCPOSB-XZWHAEGMSA-N 1 0 306.753 3.088 20 5 DGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001162397305 1089712270 /nfs/dbraw/zinc/71/22/70/1089712270.db2.gz SJIFACZYNCZJLJ-RKDXNWHRSA-N 1 0 303.284 3.295 20 5 DGBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001162397303 1089713639 /nfs/dbraw/zinc/71/36/39/1089713639.db2.gz SJIFACZYNCZJLJ-DTWKUNHWSA-N 1 0 303.284 3.295 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001162452527 1089737706 /nfs/dbraw/zinc/73/77/06/1089737706.db2.gz FXGXBUPZIFYWJF-CHWSQXEVSA-N 1 0 320.437 3.335 20 5 DGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001162455503 1089740117 /nfs/dbraw/zinc/74/01/17/1089740117.db2.gz TZPNBJZCFSQRAD-STQMWFEESA-N 1 0 314.389 3.191 20 5 DGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC001162457772 1089742036 /nfs/dbraw/zinc/74/20/36/1089742036.db2.gz RFHREBRMFVHESU-OLZOCXBDSA-N 1 0 314.389 3.191 20 5 DGBDRO Cc1c(C)c(NCCC[N@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001156929793 1089754533 /nfs/dbraw/zinc/75/45/33/1089754533.db2.gz ZRFQGJGUGBLOEM-LBPRGKRZSA-N 1 0 306.410 3.283 20 5 DGBDRO Cc1cc([N+](=O)[O-])c(Nc2ccc(C[NH3+])c(F)c2)nc1Cl ZINC001162522398 1089770649 /nfs/dbraw/zinc/77/06/49/1089770649.db2.gz BHSDMWSOEAIUMZ-UHFFFAOYSA-N 1 0 310.716 3.293 20 5 DGBDRO C[NH+](C)CCOc1cc(NC(C)(C)C2CC2)ccc1[N+](=O)[O-] ZINC001162522089 1089771139 /nfs/dbraw/zinc/77/11/39/1089771139.db2.gz HQGUUSUNPZLRNF-UHFFFAOYSA-N 1 0 307.394 3.136 20 5 DGBDRO CC(C)[N@H+](C)[C@H]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001157011359 1089786354 /nfs/dbraw/zinc/78/63/54/1089786354.db2.gz ZNNXMUYWFDDHRV-ZDUSSCGKSA-N 1 0 314.389 3.062 20 5 DGBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001157022113 1089788252 /nfs/dbraw/zinc/78/82/52/1089788252.db2.gz USWPJWJJFACQHN-OAHLLOKOSA-N 1 0 314.389 3.062 20 5 DGBDRO O=[N+]([O-])c1c(NC[C@@]2(F)CCCC[NH2+]C2)ccc2cnccc21 ZINC001162584043 1089808611 /nfs/dbraw/zinc/80/86/11/1089808611.db2.gz YBULWUBSMUVWRL-MRXNPFEDSA-N 1 0 318.352 3.037 20 5 DGBDRO Cc1cc([N+](=O)[O-])cc(-n2c3ccccc3nc2[C@@H](C)[NH3+])c1F ZINC001162777186 1089948591 /nfs/dbraw/zinc/94/85/91/1089948591.db2.gz NBVOSOGBFHASJP-SNVBAGLBSA-N 1 0 314.320 3.401 20 5 DGBDRO CC1(Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001157405859 1089949685 /nfs/dbraw/zinc/94/96/85/1089949685.db2.gz QWYLZLLWCSEKFV-UHFFFAOYSA-N 1 0 320.780 3.350 20 5 DGBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1c2ccccc2nc1[C@H](C)[NH3+] ZINC001162778522 1089949663 /nfs/dbraw/zinc/94/96/63/1089949663.db2.gz LNLAKMOGHDQMKU-JTQLQIEISA-N 1 0 314.320 3.401 20 5 DGBDRO F[C@H]1C[NH2+]CC[C@H]1CNc1ccc2ccc3cccnc3c2n1 ZINC001162802193 1089962876 /nfs/dbraw/zinc/96/28/76/1089962876.db2.gz OSYAGQGPTGMNLA-GJZGRUSLSA-N 1 0 310.376 3.143 20 5 DGBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001162807914 1089965185 /nfs/dbraw/zinc/96/51/85/1089965185.db2.gz UHBRMNULVGEOQN-UHFFFAOYSA-N 1 0 322.368 3.334 20 5 DGBDRO CC(C)[NH+]1CC(Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001157530524 1090010700 /nfs/dbraw/zinc/01/07/00/1090010700.db2.gz YXSBJUGNWQZZMG-UHFFFAOYSA-N 1 0 320.780 3.301 20 5 DGBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2cccc3ncc([N+](=O)[O-])n32)c1 ZINC001162914536 1090022877 /nfs/dbraw/zinc/02/28/77/1090022877.db2.gz WGJMULMKXXJBOX-NSHDSACASA-N 1 0 321.340 3.206 20 5 DGBDRO O=[N+]([O-])c1cnc(NC2CC3(C2)CCC[NH2+]C3)c2ccccc21 ZINC001162981664 1090045155 /nfs/dbraw/zinc/04/51/55/1090045155.db2.gz LTORNGZKVHEUFS-UHFFFAOYSA-N 1 0 312.373 3.087 20 5 DGBDRO CC(C)N(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001163186405 1090106049 /nfs/dbraw/zinc/10/60/49/1090106049.db2.gz CQTZMPQSGFAKNX-UHFFFAOYSA-N 1 0 321.208 3.249 20 5 DGBDRO O=[N+]([O-])c1ccnc(Cl)c1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163209279 1090115673 /nfs/dbraw/zinc/11/56/73/1090115673.db2.gz FBCMPBGZTOFPHK-YPMHNXCESA-N 1 0 318.764 3.158 20 5 DGBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163228610 1090126445 /nfs/dbraw/zinc/12/64/45/1090126445.db2.gz LPKIBEHZWOICBI-LBPRGKRZSA-N 1 0 319.386 3.230 20 5 DGBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163235151 1090129094 /nfs/dbraw/zinc/12/90/94/1090129094.db2.gz BGLJAAKQJIUSAE-CYBMUJFWSA-N 1 0 307.350 3.360 20 5 DGBDRO c1ccc2cc3c(cc2c1)ncnc3N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163261680 1090132813 /nfs/dbraw/zinc/13/28/13/1090132813.db2.gz JFBUCLOAQNLBJW-PVAVHDDUSA-N 1 0 304.397 3.193 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H](C)C1 ZINC001163365448 1090164793 /nfs/dbraw/zinc/16/47/93/1090164793.db2.gz JBWDQPAOBAXTHG-RYUDHWBXSA-N 1 0 317.393 3.002 20 5 DGBDRO Cc1c(C)n(-c2cnc(F)c([N+](=O)[O-])c2)c2ccc(C[NH3+])cc12 ZINC001163761367 1090251933 /nfs/dbraw/zinc/25/19/33/1090251933.db2.gz BJJYOUHDGUAOFS-UHFFFAOYSA-N 1 0 314.320 3.148 20 5 DGBDRO Cc1cnc(-n2c(C[NH3+])cc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC001163898005 1090282687 /nfs/dbraw/zinc/28/26/87/1090282687.db2.gz KFEKRVIOPARZBZ-UHFFFAOYSA-N 1 0 316.748 3.354 20 5 DGBDRO CC(C)(C)CCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124778284 1090326677 /nfs/dbraw/zinc/32/66/77/1090326677.db2.gz NEWDJFPDSPLOGO-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO Cc1cc(Cl)nc(N2CCC3(CCCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC001165245963 1090488028 /nfs/dbraw/zinc/48/80/28/1090488028.db2.gz DVRYZFTUBQRSJO-UHFFFAOYSA-N 1 0 324.812 3.064 20 5 DGBDRO CC(C)[NH+]1CCC(CNc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001166615789 1090629724 /nfs/dbraw/zinc/62/97/24/1090629724.db2.gz LBUNSFTZYHKPME-UHFFFAOYSA-N 1 0 312.801 3.176 20 5 DGBDRO [NH3+]C1CCN(c2ccc3ccc4ccc(Cl)nc4c3n2)CC1 ZINC001166662498 1090636576 /nfs/dbraw/zinc/63/65/76/1090636576.db2.gz UKQCENVDALGABI-UHFFFAOYSA-N 1 0 312.804 3.364 20 5 DGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)c1 ZINC001167004194 1090691911 /nfs/dbraw/zinc/69/19/11/1090691911.db2.gz HQIYRYMOMSKROY-OWCLPIDISA-N 1 0 315.417 3.153 20 5 DGBDRO C[N@@H+](Cc1c2ccccc2cc2ccccc21)C[C@H]1CNCCO1 ZINC001205377586 1091206291 /nfs/dbraw/zinc/20/62/91/1091206291.db2.gz ZHAHDFUKHPZNDA-GOSISDBHSA-N 1 0 320.436 3.413 20 5 DGBDRO C[NH+](C)CCn1cc(-c2cc3cccnc3c3ncccc23)cn1 ZINC001206359126 1091595700 /nfs/dbraw/zinc/59/57/00/1091595700.db2.gz AIUKRUJWMNJTCX-UHFFFAOYSA-N 1 0 317.396 3.208 20 5 DGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001298705850 1092094190 /nfs/dbraw/zinc/09/41/90/1092094190.db2.gz KVNHYRUNDHGEQM-CYBMUJFWSA-N 1 0 321.421 3.062 20 5 DGBDRO Cc1cc(N(CCC[NH3+])C(C)C)nc2ccc([N+](=O)[O-])cc12 ZINC001156118488 1092309788 /nfs/dbraw/zinc/30/97/88/1092309788.db2.gz MKGZSTJLBNHYAF-UHFFFAOYSA-N 1 0 302.378 3.015 20 5 DGBDRO [NH3+]Cc1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccc(Cl)cc12 ZINC001168979662 1092458614 /nfs/dbraw/zinc/45/86/14/1092458614.db2.gz ZHEZTVYEUASHQW-ZWNOBZJWSA-N 1 0 307.781 3.371 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)C1 ZINC001168982020 1092460551 /nfs/dbraw/zinc/46/05/51/1092460551.db2.gz HYJYBSRHFCGLAM-MAUKXSAKSA-N 1 0 311.385 3.284 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC001168984269 1092460839 /nfs/dbraw/zinc/46/08/39/1092460839.db2.gz LNUJMJJYNCHJNM-ZTFGCOKTSA-N 1 0 318.417 3.189 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCOc2ccc(Cl)cc2)C1 ZINC001168965583 1092468181 /nfs/dbraw/zinc/46/81/81/1092468181.db2.gz AUUZDADFWSUQDS-TZMCWYRMSA-N 1 0 312.797 3.144 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001168968505 1092470213 /nfs/dbraw/zinc/47/02/13/1092470213.db2.gz ZRGVHGGXHPMCGS-RYUDHWBXSA-N 1 0 318.295 3.120 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCSc2ccc(Cl)cc2)C1 ZINC001168967748 1092470808 /nfs/dbraw/zinc/47/08/08/1092470808.db2.gz SWZKWSJJFXAVHR-YPMHNXCESA-N 1 0 314.838 3.467 20 5 DGBDRO COc1ccc(CC2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168997709 1092478340 /nfs/dbraw/zinc/47/83/40/1092478340.db2.gz FASCGKGXZQLJIK-HZPDHXFCSA-N 1 0 318.417 3.053 20 5 DGBDRO Cc1ccccc1CC1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997092 1092479191 /nfs/dbraw/zinc/47/91/91/1092479191.db2.gz XNWLQTIIBBODPQ-NVXWUHKLSA-N 1 0 302.418 3.353 20 5 DGBDRO COc1ccccc1CC(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998634 1092479457 /nfs/dbraw/zinc/47/94/57/1092479457.db2.gz PCTSJPPSAWMKPC-ZFWWWQNUSA-N 1 0 306.406 3.051 20 5 DGBDRO COc1ccc(CC2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC2)cc1 ZINC001168996984 1092479607 /nfs/dbraw/zinc/47/96/07/1092479607.db2.gz AOKORTRWQVXJKO-CVEARBPZSA-N 1 0 318.417 3.195 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(CC3CCC3)CCOCC2)C1 ZINC001168998564 1092479647 /nfs/dbraw/zinc/47/96/47/1092479647.db2.gz OQAXVMYRSJRMSZ-HOTGVXAUSA-N 1 0 310.438 3.008 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(Cl)cn2)C2CC2)C1 ZINC001169002316 1092481025 /nfs/dbraw/zinc/48/10/25/1092481025.db2.gz KQNAURCKGSKJQN-YVLXSGLVSA-N 1 0 309.797 3.221 20 5 DGBDRO [NH3+]CCc1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2cccc(Cl)c12 ZINC001169002680 1092481361 /nfs/dbraw/zinc/48/13/61/1092481361.db2.gz LVEBKOWAELBBOD-DGCLKSJQSA-N 1 0 321.808 3.414 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccnc2Cl)C2CC2)C1 ZINC001169006919 1092485449 /nfs/dbraw/zinc/48/54/49/1092485449.db2.gz ZSVDKYAJNXLVMS-MPKXVKKWSA-N 1 0 309.797 3.221 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)C1 ZINC001169010226 1092488323 /nfs/dbraw/zinc/48/83/23/1092488323.db2.gz BMCRWXKHYHIAAX-DOTOQJQBSA-N 1 0 312.413 3.492 20 5 DGBDRO CC(C)(C)Oc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168989319 1092492326 /nfs/dbraw/zinc/49/23/26/1092492326.db2.gz VYUHEKXZTTZSBY-CABCVRRESA-N 1 0 306.406 3.399 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Sc3ccncc3)CC2)C1 ZINC001169033650 1092496742 /nfs/dbraw/zinc/49/67/42/1092496742.db2.gz CYHJZXGSWOPCHE-UONOGXRCSA-N 1 0 321.446 3.084 20 5 DGBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2c3ccc(F)cc3c3c2C[NH2+]CC3)C1 ZINC001169045583 1092497021 /nfs/dbraw/zinc/49/70/21/1092497021.db2.gz JMDSLLMNFITODF-WCQYABFASA-N 1 0 317.364 3.044 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3ccc(O)cc3)CC2)C1 ZINC001169042461 1092500212 /nfs/dbraw/zinc/50/02/12/1092500212.db2.gz DPBBXCWQBKPJIC-CJNGLKHVSA-N 1 0 304.390 3.017 20 5 DGBDRO COc1cccc(CCC[N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169038802 1092501487 /nfs/dbraw/zinc/50/14/87/1092501487.db2.gz KNTPWFNOUGMTDC-CVEARBPZSA-N 1 0 306.406 3.005 20 5 DGBDRO COc1cccc(C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169046942 1092507530 /nfs/dbraw/zinc/50/75/30/1092507530.db2.gz PBHXHBLPNGGNDS-RHSMWYFYSA-N 1 0 318.417 3.320 20 5 DGBDRO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049166 1092509187 /nfs/dbraw/zinc/50/91/87/1092509187.db2.gz WHQWQHNCQGPNKY-BHYGNILZSA-N 1 0 318.417 3.415 20 5 DGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001169056919 1092513030 /nfs/dbraw/zinc/51/30/30/1092513030.db2.gz UEICZSJAUCZXBS-OIISXLGYSA-N 1 0 306.381 3.278 20 5 DGBDRO Cc1cnc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001169141886 1092559598 /nfs/dbraw/zinc/55/95/98/1092559598.db2.gz DSMAKNBFBFOSMG-WBMJQRKESA-N 1 0 306.410 3.254 20 5 DGBDRO O=[N+]([O-])c1cc2c(cc1N[C@H](C1CCC1)C(F)(F)F)C[NH2+]C2 ZINC001169283481 1092626757 /nfs/dbraw/zinc/62/67/57/1092626757.db2.gz BLJFYGRUSYAVEA-CYBMUJFWSA-N 1 0 315.295 3.341 20 5 DGBDRO CCC(CC)CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001169359369 1092652573 /nfs/dbraw/zinc/65/25/73/1092652573.db2.gz AZYFLKJZYUGCSZ-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO C[NH+](C)CCOc1ccc(Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001216483880 1094206688 /nfs/dbraw/zinc/20/66/88/1094206688.db2.gz RDTKNONIYXFBIO-UHFFFAOYSA-N 1 0 319.336 3.418 20 5 DGBDRO Cc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cnc1F ZINC001119954657 1094320970 /nfs/dbraw/zinc/32/09/70/1094320970.db2.gz OLUQIMLCWFSPBR-UHFFFAOYSA-N 1 0 303.337 3.462 20 5 DGBDRO Cc1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001120560872 1094454976 /nfs/dbraw/zinc/45/49/76/1094454976.db2.gz JYHJGNBDMXSKFA-MRXNPFEDSA-N 1 0 320.776 3.380 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](OC[C@H]2CCC[NH2+]C2)C(F)(F)F)cc1 ZINC001217916250 1094517340 /nfs/dbraw/zinc/51/73/40/1094517340.db2.gz DLQJWLWKHLEKCM-GXFFZTMASA-N 1 0 318.295 3.214 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C[C@H]2F)cc1C(F)(F)F ZINC001217944166 1094523052 /nfs/dbraw/zinc/52/30/52/1094523052.db2.gz AMVRJHRMTULMLR-ZYHUDNBSSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1c(O[C@@H]2CCC[NH2+]C[C@H]2F)ccc2ccccc21 ZINC001217945442 1094524410 /nfs/dbraw/zinc/52/44/10/1094524410.db2.gz DECVVEKJUUMWJN-ZIAGYGMSSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217945735 1094524512 /nfs/dbraw/zinc/52/45/12/1094524512.db2.gz MMCYPBDTQMSJGW-ONGXEEELSA-N 1 0 323.151 3.371 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217978843 1094539494 /nfs/dbraw/zinc/53/94/94/1094539494.db2.gz RHSWJVBZMCQWPT-ONGXEEELSA-N 1 0 302.733 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217980467 1094540127 /nfs/dbraw/zinc/54/01/27/1094540127.db2.gz YVBXKWODVWXBBA-HIFRSBDPSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]CC2)ccc1C(F)(F)F ZINC001217994600 1094549214 /nfs/dbraw/zinc/54/92/14/1094549214.db2.gz HUCSVDLXWZYWPG-SECBINFHSA-N 1 0 304.268 3.135 20 5 DGBDRO CC(C)CCCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001135501175 1094556717 /nfs/dbraw/zinc/55/67/17/1094556717.db2.gz LKZYTZRCLJCKDA-UHFFFAOYSA-N 1 0 321.421 3.017 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]CC[C@@H]2F)c(C(F)(F)F)c1 ZINC001218012367 1094558940 /nfs/dbraw/zinc/55/89/40/1094558940.db2.gz IZQKHXRQAKULIU-CMPLNLGQSA-N 1 0 322.258 3.083 20 5 DGBDRO O=[N+]([O-])c1c(O[C@@H]2CC[NH2+]CC[C@H]2F)ccc2ccccc21 ZINC001218018097 1094562881 /nfs/dbraw/zinc/56/28/81/1094562881.db2.gz MAYNXLRMROTPCW-ZIAGYGMSSA-N 1 0 304.321 3.217 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1CC[NH2+]CC[C@H]1F ZINC001218021411 1094564314 /nfs/dbraw/zinc/56/43/14/1094564314.db2.gz WNVPZBHQZHTCSM-KOLCDFICSA-N 1 0 323.151 3.371 20 5 DGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1CC[NH2+]C[C@@H]1F ZINC001218064589 1094583150 /nfs/dbraw/zinc/58/31/50/1094583150.db2.gz NDDKKIDUTFTFMV-GOEBONIOSA-N 1 0 316.332 3.341 20 5 DGBDRO O=[N+]([O-])c1ccc2ccnc(O[C@H]3CCC[C@]34CC[NH2+]C4)c2c1 ZINC001218094922 1094600288 /nfs/dbraw/zinc/60/02/88/1094600288.db2.gz ONELTHWZFZAELN-DOTOQJQBSA-N 1 0 313.357 3.054 20 5 DGBDRO Cc1cc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c(C)c(C)c1[N+](=O)[O-] ZINC001218099307 1094603072 /nfs/dbraw/zinc/60/30/72/1094603072.db2.gz UEOKZIUPTWLSRQ-RDJZCZTQSA-N 1 0 304.390 3.431 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CC[C@]23CC[NH2+]C3)cc1Cl ZINC001218115900 1094613531 /nfs/dbraw/zinc/61/35/31/1094613531.db2.gz HLCBMNDWOCPRJD-QWHCGFSZSA-N 1 0 317.172 3.423 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218115961 1094613835 /nfs/dbraw/zinc/61/38/35/1094613835.db2.gz IISDNACPBMXNOA-WCQYABFASA-N 1 0 317.172 3.423 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3CC[C@@]34CC[NH2+]C4)nc2c1 ZINC001218117362 1094616818 /nfs/dbraw/zinc/61/68/18/1094616818.db2.gz MVKQCXKIVRDLFI-MJGOQNOKSA-N 1 0 305.381 3.304 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)ccc1C(F)(F)F ZINC001218119844 1094618405 /nfs/dbraw/zinc/61/84/05/1094618405.db2.gz YWTLFVZVMVGWPD-OLZOCXBDSA-N 1 0 316.279 3.135 20 5 DGBDRO c1ccc2c(c1)nc(O[C@@H]1CCO[C@]13CC[NH2+]C3)c1ccccc21 ZINC001218136525 1094625900 /nfs/dbraw/zinc/62/59/00/1094625900.db2.gz WKAOXCVAAHWATB-QUCCMNQESA-N 1 0 320.392 3.288 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@H]3CCC4(C[NH2+]C4)C3)nc2c1 ZINC001218234355 1094669921 /nfs/dbraw/zinc/66/99/21/1094669921.db2.gz FUONMORGEKCEDV-ZDUSSCGKSA-N 1 0 305.381 3.304 20 5 DGBDRO c1ccc2c(c1)ccc1c2ccnc1OC[C@@H]1C[NH2+]CCCO1 ZINC001218301228 1094704359 /nfs/dbraw/zinc/70/43/59/1094704359.db2.gz ACWPCGZBZGTXJU-HNNXBMFYSA-N 1 0 308.381 3.145 20 5 DGBDRO c1ccc2nc3c(cccc3OCCO[C@H]3CC[NH2+]C3)cc2c1 ZINC001218387267 1094743327 /nfs/dbraw/zinc/74/33/27/1094743327.db2.gz KRKAVSKWOPDSQX-INIZCTEOSA-N 1 0 308.381 3.145 20 5 DGBDRO C[C@@H]1CC[C@@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218399057 1094750305 /nfs/dbraw/zinc/75/03/05/1094750305.db2.gz NOKNGLXNMGLNKO-PSASIEDQSA-N 1 0 320.267 3.013 20 5 DGBDRO CC(C)(C)c1ccc(O[C@@H]2C[NH2+]CCC23CC3)c([N+](=O)[O-])c1 ZINC001218399235 1094750588 /nfs/dbraw/zinc/75/05/88/1094750588.db2.gz LYJFODUNXFMZQL-OAHLLOKOSA-N 1 0 304.390 3.413 20 5 DGBDRO C[C@@H]1CC[C@@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C[NH2+]1 ZINC001218399339 1094750667 /nfs/dbraw/zinc/75/06/67/1094750667.db2.gz PLFODHXEXYVUOE-TZMCWYRMSA-N 1 0 309.365 3.466 20 5 DGBDRO O=c1oc2cc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)ccc2c2ccccc21 ZINC001218459009 1094788241 /nfs/dbraw/zinc/78/82/41/1094788241.db2.gz AZOGVJYTROVLLR-OCBCSQNSSA-N 1 0 321.376 3.323 20 5 DGBDRO c1ccc2nc3c(cccc3O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)nc2c1 ZINC001218460734 1094789993 /nfs/dbraw/zinc/78/99/93/1094789993.db2.gz NTWCYGRWVOCHNV-OGHNNQOOSA-N 1 0 305.381 3.160 20 5 DGBDRO CC1(C)C[C@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)CC[NH2+]1 ZINC001218473385 1094797183 /nfs/dbraw/zinc/79/71/83/1094797183.db2.gz XXISQICMDKMDNM-SNVBAGLBSA-N 1 0 307.375 3.114 20 5 DGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c(Cl)cc1Cl ZINC001218473268 1094797340 /nfs/dbraw/zinc/79/73/40/1094797340.db2.gz PTDDDQXIOIGEJD-DNSOKLHBSA-N 1 0 317.172 3.278 20 5 DGBDRO O=[N+]([O-])c1cccc2c1ccnc2O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218492765 1094821718 /nfs/dbraw/zinc/82/17/18/1094821718.db2.gz CYFRUWQNJFIEND-KRWDZBQOSA-N 1 0 321.336 3.366 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+]1C ZINC001337340970 1094938833 /nfs/dbraw/zinc/93/88/33/1094938833.db2.gz ZGRWICNJBKQSLG-RYUDHWBXSA-N 1 0 300.362 3.038 20 5 DGBDRO CC[N+](C)(C)Cc1ccccc1N[C@H](C)c1ncc(F)cn1 ZINC001171115238 1095421945 /nfs/dbraw/zinc/42/19/45/1095421945.db2.gz RROYWAVVKIUGSY-CYBMUJFWSA-N 1 0 303.405 3.385 20 5 DGBDRO C[C@H](NC(=O)[C@H]([NH3+])C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001339791556 1095733756 /nfs/dbraw/zinc/73/37/56/1095733756.db2.gz YNLGVKAUEJMCDV-BLLLJJGKSA-N 1 0 319.405 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc2ccc(N[C@H]3CC[N@@H+](C4CCC4)C3)nc2c1 ZINC001161177811 1095744503 /nfs/dbraw/zinc/74/45/03/1095744503.db2.gz UUYQFSRNRGKBRW-ZDUSSCGKSA-N 1 0 312.373 3.182 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC001117682169 1095798754 /nfs/dbraw/zinc/79/87/54/1095798754.db2.gz DAEKNQXIPVPURH-IKFRKZOMSA-N 1 0 318.417 3.339 20 5 DGBDRO COCCC[NH+]1CCC(O[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC001223426659 1095966505 /nfs/dbraw/zinc/96/65/05/1095966505.db2.gz ABZXXQXQBHHKQG-AWEZNQCLSA-N 1 0 322.405 3.173 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1COC1CC[NH+](C(C)(C)C)CC1 ZINC001223945685 1096102045 /nfs/dbraw/zinc/10/20/45/1096102045.db2.gz JSALTTHYYRYUGS-UHFFFAOYSA-N 1 0 322.405 3.383 20 5 DGBDRO C[C@H](O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC001224023814 1096117808 /nfs/dbraw/zinc/11/78/08/1096117808.db2.gz ZXRQRZHZKWCONP-FAYQHZLMSA-N 1 0 304.390 3.403 20 5 DGBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(OCc2ccccc2)cn1 ZINC001224068252 1096128754 /nfs/dbraw/zinc/12/87/54/1096128754.db2.gz XZUMYFNESIHEBK-MRXNPFEDSA-N 1 0 315.437 3.272 20 5 DGBDRO C[C@@H](OCCC[N+](C)(C)C)c1ccc(Br)nc1 ZINC001224623490 1096249094 /nfs/dbraw/zinc/24/90/94/1096249094.db2.gz OBNJLLVSDZMJES-LLVKDONJSA-N 1 0 302.236 3.018 20 5 DGBDRO C[N+](C)(C)CCCO[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001224621053 1096249255 /nfs/dbraw/zinc/24/92/55/1096249255.db2.gz JMYSFYOZCFAYNR-ZDUSSCGKSA-N 1 0 321.319 3.311 20 5 DGBDRO CCc1cc(O[C@H](C)C[N+](C)(C)C)ccc1Br ZINC001225401521 1096419204 /nfs/dbraw/zinc/41/92/04/1096419204.db2.gz VFSISVSHXVNSAF-LLVKDONJSA-N 1 0 301.248 3.485 20 5 DGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC001225627907 1096487560 /nfs/dbraw/zinc/48/75/60/1096487560.db2.gz JYXUEUDJOCDYAY-INIZCTEOSA-N 1 0 313.357 3.033 20 5 DGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226195548 1096634881 /nfs/dbraw/zinc/63/48/81/1096634881.db2.gz LIBSDNJDZDGION-SECBINFHSA-N 1 0 302.733 3.249 20 5 DGBDRO CC(=O)c1ccc(OC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001226291457 1096654237 /nfs/dbraw/zinc/65/42/37/1096654237.db2.gz DGZTWWCMATUQGK-UHFFFAOYSA-N 1 0 306.362 3.049 20 5 DGBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1cc([N+](=O)[O-])ccc1Cl ZINC001171398653 1096658806 /nfs/dbraw/zinc/65/88/06/1096658806.db2.gz BEZOQMIYISJVOW-LLVKDONJSA-N 1 0 319.748 3.106 20 5 DGBDRO CC(C)(C)c1ccc(O[C@@H]2CCc3nccn3C2)c([N+](=O)[O-])c1 ZINC001226445651 1096691491 /nfs/dbraw/zinc/69/14/91/1096691491.db2.gz FIXTZSGOPMLBBW-CYBMUJFWSA-N 1 0 315.373 3.483 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC001226448342 1096692710 /nfs/dbraw/zinc/69/27/10/1096692710.db2.gz WQBQIEJKHQUZLP-NHAGDIPZSA-N 1 0 320.389 3.386 20 5 DGBDRO CC(C)[NH+]1CCC(Oc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001226744929 1096766140 /nfs/dbraw/zinc/76/61/40/1096766140.db2.gz WTRYFJVQNZNPKL-UHFFFAOYSA-N 1 0 300.305 3.125 20 5 DGBDRO CC[NH+](CC)C[C@H](C)Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001226908516 1096811638 /nfs/dbraw/zinc/81/16/38/1096811638.db2.gz JCNOQMOUAMDHOO-VIFPVBQESA-N 1 0 304.749 3.496 20 5 DGBDRO CC[N@@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226968315 1096831637 /nfs/dbraw/zinc/83/16/37/1096831637.db2.gz GIDPGTYSKDIKQW-NSHDSACASA-N 1 0 318.295 3.477 20 5 DGBDRO CC(C)(C)N1CC(Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227155454 1096882159 /nfs/dbraw/zinc/88/21/59/1096882159.db2.gz ZRTRUYRKYQXHRK-UHFFFAOYSA-N 1 0 302.733 3.249 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001227185801 1096887736 /nfs/dbraw/zinc/88/77/36/1096887736.db2.gz YYNOGRBNAJCDDM-NHAGDIPZSA-N 1 0 320.389 3.386 20 5 DGBDRO Cc1ccc(O[C@H](CC[NH+](C)C)c2ccccc2)c([N+](=O)[O-])n1 ZINC001227222989 1096900142 /nfs/dbraw/zinc/90/01/42/1096900142.db2.gz ZHZHPMULSNTGBJ-OAHLLOKOSA-N 1 0 315.373 3.370 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1nc(Cl)nc2ccc(Cl)cc21 ZINC001227307136 1096914986 /nfs/dbraw/zinc/91/49/86/1096914986.db2.gz RRCLXCVDDMMCPH-SECBINFHSA-N 1 0 315.224 3.410 20 5 DGBDRO CCCCOCc1ccc(O[C@@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001227498983 1096942044 /nfs/dbraw/zinc/94/20/44/1096942044.db2.gz SCQPYLSPNAJLEN-HNNXBMFYSA-N 1 0 310.458 3.485 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001228151792 1097063447 /nfs/dbraw/zinc/06/34/47/1097063447.db2.gz IENFYMNFTROQQD-MRVPVSSYSA-N 1 0 308.185 3.375 20 5 DGBDRO CC[NH+]1CCC(Oc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC001228209218 1097073573 /nfs/dbraw/zinc/07/35/73/1097073573.db2.gz MDAMOTSSMVGLLD-UHFFFAOYSA-N 1 0 307.375 3.068 20 5 DGBDRO Cc1c(Cl)c(=O)oc2cc(O[C@H](C)C[N+](C)(C)C)ccc12 ZINC001228509783 1097132687 /nfs/dbraw/zinc/13/26/87/1097132687.db2.gz UKRQYGVLBAJZST-SNVBAGLBSA-N 1 0 310.801 3.228 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001228758609 1097183964 /nfs/dbraw/zinc/18/39/64/1097183964.db2.gz GXZDRIOVILCGJJ-HBYGRHMLSA-N 1 0 310.781 3.357 20 5 DGBDRO CC(C)(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001228939277 1097222406 /nfs/dbraw/zinc/22/24/06/1097222406.db2.gz UWAVTFOZGAJTJC-UHFFFAOYSA-N 1 0 313.785 3.285 20 5 DGBDRO COC(=O)c1cccc2c(O[C@@H](C)C[N+](C)(C)C)cccc12 ZINC001229091905 1097254478 /nfs/dbraw/zinc/25/44/78/1097254478.db2.gz QHSTUMBSJVIOKN-ZDUSSCGKSA-N 1 0 302.394 3.100 20 5 DGBDRO CC(=O)c1cccc(OC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001229137659 1097262564 /nfs/dbraw/zinc/26/25/64/1097262564.db2.gz JCLJMUUZTMQGGU-UHFFFAOYSA-N 1 0 306.362 3.049 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC[C@H]1CCCCO1)CC2 ZINC001172897615 1097267402 /nfs/dbraw/zinc/26/74/02/1097267402.db2.gz BGQLIBFUUKHEFH-SJLPKXTDSA-N 1 0 318.417 3.391 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@]3(CCCO3)C1)CC2 ZINC001172906885 1097269161 /nfs/dbraw/zinc/26/91/61/1097269161.db2.gz ZEKXDYSPXUPKPP-SJLPKXTDSA-N 1 0 316.401 3.097 20 5 DGBDRO Cc1cc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)ccn1 ZINC001172895283 1097278213 /nfs/dbraw/zinc/27/82/13/1097278213.db2.gz BOLABCMJLGWRTE-KRWDZBQOSA-N 1 0 311.385 3.335 20 5 DGBDRO CC1(C)C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCO1 ZINC001172914804 1097279303 /nfs/dbraw/zinc/27/93/03/1097279303.db2.gz JBLORMOGIRHWEK-MRXNPFEDSA-N 1 0 318.417 3.343 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCc3occc3C1)CC2 ZINC001172918893 1097280099 /nfs/dbraw/zinc/28/00/99/1097280099.db2.gz CWBZLUYKZPHNHQ-MRXNPFEDSA-N 1 0 312.369 3.494 20 5 DGBDRO CC(C)O[C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920110 1097280679 /nfs/dbraw/zinc/28/06/79/1097280679.db2.gz IKNWHYQPVNUKHL-AEFFLSMTSA-N 1 0 318.417 3.342 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H]3C[C@H]1C[C@@H]3F)CC2 ZINC001172922180 1097281962 /nfs/dbraw/zinc/28/19/62/1097281962.db2.gz WTTNUHRLIPQGIF-OTRWWLKZSA-N 1 0 304.365 3.275 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1c2ccoc2cc2oc(=O)ccc21 ZINC001229247356 1097283386 /nfs/dbraw/zinc/28/33/86/1097283386.db2.gz ONJOOHJVIDYCBZ-LLVKDONJSA-N 1 0 302.350 3.013 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCc3cnccc3C1)CC2 ZINC001172909954 1097291470 /nfs/dbraw/zinc/29/14/70/1097291470.db2.gz WASFOUZQRPEXJU-GOSISDBHSA-N 1 0 323.396 3.296 20 5 DGBDRO CCCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173005231 1097306108 /nfs/dbraw/zinc/30/61/08/1097306108.db2.gz FSQCUKQHVKXRGO-UHFFFAOYSA-N 1 0 313.348 3.232 20 5 DGBDRO C[C@@H](c1cccc(O[C@@H](C[N+](=O)[O-])c2cccnc2)c1)[NH+](C)C ZINC001229626398 1097354777 /nfs/dbraw/zinc/35/47/77/1097354777.db2.gz LVJRTNRADZGXHQ-GUYCJALGSA-N 1 0 315.373 3.101 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC23CCC3)c1F ZINC001173182248 1097356748 /nfs/dbraw/zinc/35/67/48/1097356748.db2.gz RBELFAXDDDZWKT-YGRLFVJLSA-N 1 0 308.353 3.206 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)c1F ZINC001173179974 1097357037 /nfs/dbraw/zinc/35/70/37/1097357037.db2.gz OKNONFWKQXTBQV-KZVDOYCCSA-N 1 0 322.380 3.452 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173215699 1097367732 /nfs/dbraw/zinc/36/77/32/1097367732.db2.gz YRXQQRNHDCGUSC-CYBMUJFWSA-N 1 0 300.358 3.324 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc2cc(C[NH3+])ccc2n1 ZINC001173215615 1097367809 /nfs/dbraw/zinc/36/78/09/1097367809.db2.gz XJIRPVGYGJDVFY-LBPRGKRZSA-N 1 0 310.357 3.207 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@](C)(CO)c1ccccc1 ZINC001173219491 1097370062 /nfs/dbraw/zinc/37/00/62/1097370062.db2.gz CIZBYWVUJWEOQW-KDOFPFPSSA-N 1 0 314.385 3.023 20 5 DGBDRO CCOc1cccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173220438 1097371272 /nfs/dbraw/zinc/37/12/72/1097371272.db2.gz CFQGFDNPJWDVJX-CYBMUJFWSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(CCO)CC1 ZINC001173221159 1097372356 /nfs/dbraw/zinc/37/23/56/1097372356.db2.gz KXUIKIJMDATMAD-HLIUYOAVSA-N 1 0 306.406 3.057 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](C)(CO)CC1 ZINC001173222759 1097372898 /nfs/dbraw/zinc/37/28/98/1097372898.db2.gz VIHSPUJOALMLFV-WMLDXEAASA-N 1 0 306.406 3.010 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001173226688 1097374769 /nfs/dbraw/zinc/37/47/69/1097374769.db2.gz NLPSTOZCALWHBR-JJRVBVJISA-N 1 0 306.406 3.009 20 5 DGBDRO CO[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001173229979 1097376040 /nfs/dbraw/zinc/37/60/40/1097376040.db2.gz YGDNZAMGWXAAPJ-UNQWWWNPSA-N 1 0 318.417 3.273 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(n2ccnc2)CC1 ZINC001173232858 1097376937 /nfs/dbraw/zinc/37/69/37/1097376937.db2.gz IMAQTQCIUIWJGQ-AWEZNQCLSA-N 1 0 314.389 3.059 20 5 DGBDRO Cc1ccnc(CCC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173233044 1097377169 /nfs/dbraw/zinc/37/71/69/1097377169.db2.gz GUHPADIYDCBQPF-OAHLLOKOSA-N 1 0 313.401 3.452 20 5 DGBDRO Cc1ccc(CCC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173231583 1097377249 /nfs/dbraw/zinc/37/72/49/1097377249.db2.gz BAIXRPVKXBIXIR-HNNXBMFYSA-N 1 0 313.401 3.452 20 5 DGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCO)c1ccccc1 ZINC001173209274 1097380300 /nfs/dbraw/zinc/38/03/00/1097380300.db2.gz AYBACQCGQALTSW-KSSFIOAISA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC001173208697 1097380859 /nfs/dbraw/zinc/38/08/59/1097380859.db2.gz AOOLUVBQILQBEC-RDTXWAMCSA-N 1 0 314.385 3.023 20 5 DGBDRO COc1cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)ccc1O ZINC001173212936 1097381277 /nfs/dbraw/zinc/38/12/77/1097381277.db2.gz CYJAJMOCHOMMSS-LBPRGKRZSA-N 1 0 316.357 3.030 20 5 DGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Cl)ccn1 ZINC001173211535 1097381284 /nfs/dbraw/zinc/38/12/84/1097381284.db2.gz SMWMSRUFLUVFIB-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO COc1cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)ccc1O ZINC001173212935 1097381441 /nfs/dbraw/zinc/38/14/41/1097381441.db2.gz CYJAJMOCHOMMSS-GFCCVEGCSA-N 1 0 316.357 3.030 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cccc(Cl)c1[N+](=O)[O-] ZINC001230913810 1097621007 /nfs/dbraw/zinc/62/10/07/1097621007.db2.gz BPNOOVDOBSNWBQ-HBYGRHMLSA-N 1 0 310.781 3.357 20 5 DGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cccc(Cl)c1[N+](=O)[O-] ZINC001230913812 1097622322 /nfs/dbraw/zinc/62/23/22/1097622322.db2.gz BPNOOVDOBSNWBQ-QHBPRCKVSA-N 1 0 310.781 3.357 20 5 DGBDRO CC[NH+]1CCC(Oc2cnc3c(cccc3[N+](=O)[O-])c2)CC1 ZINC001231158689 1097685300 /nfs/dbraw/zinc/68/53/00/1097685300.db2.gz PKQBTDCFQGDBFV-UHFFFAOYSA-N 1 0 301.346 3.006 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(OC(=O)c2ccccc2)c1 ZINC001231277532 1097710208 /nfs/dbraw/zinc/71/02/08/1097710208.db2.gz GKTAKWSQBFKHHH-OAHLLOKOSA-N 1 0 314.405 3.379 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(OC(=O)c2ccccc2)c1 ZINC001231277531 1097710449 /nfs/dbraw/zinc/71/04/49/1097710449.db2.gz GKTAKWSQBFKHHH-HNNXBMFYSA-N 1 0 314.405 3.379 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCC[C@@H]1O ZINC001232218707 1097969880 /nfs/dbraw/zinc/96/98/80/1097969880.db2.gz KGCHKCSYLRHEQZ-KDOFPFPSSA-N 1 0 321.424 3.376 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCC[C@@H]1O ZINC001232218708 1097970001 /nfs/dbraw/zinc/97/00/01/1097970001.db2.gz KGCHKCSYLRHEQZ-KSSFIOAISA-N 1 0 321.424 3.376 20 5 DGBDRO CCN(CC[NH+](C)C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232219920 1097971864 /nfs/dbraw/zinc/97/18/64/1097971864.db2.gz WZFOUCZLTMSSHR-UHFFFAOYSA-N 1 0 308.429 3.167 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC001175982661 1098218463 /nfs/dbraw/zinc/21/84/63/1098218463.db2.gz IYXCSLJVIVLMAV-ZDUSSCGKSA-N 1 0 321.421 3.456 20 5 DGBDRO Cc1ccc(C[NH+]2CCC(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC001176295206 1098304033 /nfs/dbraw/zinc/30/40/33/1098304033.db2.gz NAJCDAQCEGPWEN-UHFFFAOYSA-N 1 0 312.373 3.073 20 5 DGBDRO NC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1c2ccccc2cc2ccccc21 ZINC001277813696 1098444634 /nfs/dbraw/zinc/44/46/34/1098444634.db2.gz AYHZSBBVNBADHK-IERDGZPVSA-N 1 0 316.404 3.443 20 5 DGBDRO Cc1cccnc1[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001176897332 1098452527 /nfs/dbraw/zinc/45/25/27/1098452527.db2.gz MCCVXLNCSFRSDI-ZDUSSCGKSA-N 1 0 301.346 3.028 20 5 DGBDRO CCCCCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233979093 1098471015 /nfs/dbraw/zinc/47/10/15/1098471015.db2.gz XXVVAFORAWQEIH-UHFFFAOYSA-N 1 0 321.421 3.113 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1-c1ccnn1C ZINC001233986510 1098471584 /nfs/dbraw/zinc/47/15/84/1098471584.db2.gz KPHLVWFESZENIM-GFCCVEGCSA-N 1 0 308.833 3.214 20 5 DGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2cc(Cl)c(Cl)cc21 ZINC001234024949 1098479152 /nfs/dbraw/zinc/47/91/52/1098479152.db2.gz CJAYXRAFTTUJMD-VIFPVBQESA-N 1 0 315.224 3.410 20 5 DGBDRO Cc1c(CNCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001177294870 1098505675 /nfs/dbraw/zinc/50/56/75/1098505675.db2.gz QHFAIRKDJYALLH-GASCZTMLSA-N 1 0 319.449 3.361 20 5 DGBDRO COc1ccc(Br)c(F)c1O[C@@H](C)C[N+](C)(C)C ZINC001234293000 1098529917 /nfs/dbraw/zinc/52/99/17/1098529917.db2.gz JVRWNDQYGCKQPU-VIFPVBQESA-N 1 0 321.210 3.070 20 5 DGBDRO COc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC001177664600 1098574662 /nfs/dbraw/zinc/57/46/62/1098574662.db2.gz URLXJKCSWNKEHK-UHFFFAOYSA-N 1 0 318.348 3.383 20 5 DGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2ccc(Br)nc21 ZINC001234602329 1098615095 /nfs/dbraw/zinc/61/50/95/1098615095.db2.gz SGPPOAODWNMFTL-LLVKDONJSA-N 1 0 324.242 3.471 20 5 DGBDRO C[N@@H+]1CCC[C@@H](Oc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001234674549 1098641813 /nfs/dbraw/zinc/64/18/13/1098641813.db2.gz PFCUWTIFBWYGTF-GFCCVEGCSA-N 1 0 301.346 3.006 20 5 DGBDRO Cc1c(C[NH2+][C@H](CO)CC2CCCCC2)cccc1[N+](=O)[O-] ZINC001178985879 1098990021 /nfs/dbraw/zinc/99/00/21/1098990021.db2.gz BAVHMACYMKKASY-INIZCTEOSA-N 1 0 306.406 3.324 20 5 DGBDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001179646674 1099153986 /nfs/dbraw/zinc/15/39/86/1099153986.db2.gz UORROGVZAWZJGI-XHDPSFHLSA-N 1 0 318.398 3.448 20 5 DGBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCCCC1 ZINC001187429779 1099526475 /nfs/dbraw/zinc/52/64/75/1099526475.db2.gz CXXRFPIAXJSZBW-UHFFFAOYSA-N 1 0 314.389 3.477 20 5 DGBDRO O=[N+]([O-])CCN1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001193870592 1100832000 /nfs/dbraw/zinc/83/20/00/1100832000.db2.gz GAQLMVPWPMQRPF-UHFFFAOYSA-N 1 0 320.286 3.243 20 5 DGBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC001194263354 1100905892 /nfs/dbraw/zinc/90/58/92/1100905892.db2.gz YBOLPFVHDXVUAK-QGZVFWFLSA-N 1 0 319.449 3.332 20 5 DGBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC001194458359 1100942800 /nfs/dbraw/zinc/94/28/00/1100942800.db2.gz RODPWCHGXRMJIZ-ULCPSODYSA-N 1 0 314.332 3.022 20 5 DGBDRO CCC[C@@H](C)CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001194906505 1101034514 /nfs/dbraw/zinc/03/45/14/1101034514.db2.gz PSQQNEHTGRNKIH-OAHLLOKOSA-N 1 0 320.437 3.328 20 5 DGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC001195269872 1101109102 /nfs/dbraw/zinc/10/91/02/1101109102.db2.gz QONSMQQNADCVCF-UHFFFAOYSA-N 1 0 322.405 3.252 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(C2CCC2)CC1 ZINC001195947553 1101229879 /nfs/dbraw/zinc/22/98/79/1101229879.db2.gz UKVCGZYOYYYIDG-UHFFFAOYSA-N 1 0 304.390 3.486 20 5 DGBDRO C[C@@H]1CCCC[C@H]1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196907386 1101431414 /nfs/dbraw/zinc/43/14/14/1101431414.db2.gz MJWPNVGSMABDMG-KEYYUXOJSA-N 1 0 306.406 3.218 20 5 DGBDRO C[C@@]1(C(F)(F)F)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001197544675 1101593505 /nfs/dbraw/zinc/59/35/05/1101593505.db2.gz ZXAMQXGAWVAYJI-CYBMUJFWSA-N 1 0 318.295 3.248 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC001197719164 1101641191 /nfs/dbraw/zinc/64/11/91/1101641191.db2.gz FRAKMRNQOINUEL-PKOBYXMFSA-N 1 0 308.381 3.411 20 5 DGBDRO Cc1c(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001198684604 1101957777 /nfs/dbraw/zinc/95/77/77/1101957777.db2.gz CAZYDESQTGBBLR-IRXDYDNUSA-N 1 0 304.390 3.437 20 5 DGBDRO Cc1ccc(C[NH2+]C2CCC3(CCCO3)CC2)cc1[N+](=O)[O-] ZINC001329306598 1104215716 /nfs/dbraw/zinc/21/57/16/1104215716.db2.gz JPRSSCQKXQNMFZ-UHFFFAOYSA-N 1 0 304.390 3.485 20 5 DGBDRO Cc1ncc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC001329364083 1104231864 /nfs/dbraw/zinc/23/18/64/1104231864.db2.gz PEZZGFAVVSODQU-SECBINFHSA-N 1 0 309.366 3.220 20 5 DGBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001251761821 1105692467 /nfs/dbraw/zinc/69/24/67/1105692467.db2.gz QGWXXQWVHUPLMZ-CVEARBPZSA-N 1 0 314.389 3.428 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CC[C@@H](F)C3)CC2)cc1 ZINC001254464579 1106076890 /nfs/dbraw/zinc/07/68/90/1106076890.db2.gz IZQLPADUFHYTCN-ZIAGYGMSSA-N 1 0 321.396 3.291 20 5 DGBDRO C[C@]1(CF)CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254474681 1106077869 /nfs/dbraw/zinc/07/78/69/1106077869.db2.gz SPLBWDJDYXLOPQ-QGZVFWFLSA-N 1 0 321.396 3.245 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC34CCC4)CC2)cc1 ZINC001254470181 1106078040 /nfs/dbraw/zinc/07/80/40/1106078040.db2.gz HZXKOZQCLCZKPU-INIZCTEOSA-N 1 0 301.390 3.096 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC001254480928 1106079265 /nfs/dbraw/zinc/07/92/65/1106079265.db2.gz QIUKKAWDHJEUKT-DYVFJYSZSA-N 1 0 301.390 3.048 20 5 DGBDRO CC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001254537888 1106097914 /nfs/dbraw/zinc/09/79/14/1106097914.db2.gz JGWZZOQEDBKUCJ-SCLBCKFNSA-N 1 0 312.369 3.446 20 5 DGBDRO CCOc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254537823 1106098144 /nfs/dbraw/zinc/09/81/44/1106098144.db2.gz HZMSUVDBHCTULD-ZDUSSCGKSA-N 1 0 315.373 3.109 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC001254536772 1106098326 /nfs/dbraw/zinc/09/83/26/1106098326.db2.gz SWHPYEDNNSVSEQ-NWDGAFQWSA-N 1 0 303.337 3.411 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)c1ccccc1 ZINC001254537669 1106098381 /nfs/dbraw/zinc/09/83/81/1106098381.db2.gz FXDKSHPEDVVFLA-KBXCAEBGSA-N 1 0 314.385 3.239 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001254539693 1106099009 /nfs/dbraw/zinc/09/90/09/1106099009.db2.gz JOHNESYAACAXMI-LLLHUVSDSA-N 1 0 317.433 3.131 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCCCCCO ZINC001254545250 1106100322 /nfs/dbraw/zinc/10/03/22/1106100322.db2.gz BXHRIWWENVDNKA-HNNXBMFYSA-N 1 0 308.422 3.448 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@](C)(CO)c1ccccc1 ZINC001254547345 1106100444 /nfs/dbraw/zinc/10/04/44/1106100444.db2.gz HLQVSMPWDZQLRO-KBXCAEBGSA-N 1 0 314.385 3.023 20 5 DGBDRO CCOCC1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254558612 1106103538 /nfs/dbraw/zinc/10/35/38/1106103538.db2.gz GYSRHSVDZUPHHT-AWEZNQCLSA-N 1 0 306.406 3.274 20 5 DGBDRO [NH3+]Cc1cn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc12 ZINC001254565723 1106105350 /nfs/dbraw/zinc/10/53/50/1106105350.db2.gz GDOPIAYEBCXIOL-MRXNPFEDSA-N 1 0 307.353 3.348 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCc1ccccc1F)C2 ZINC001254566258 1106105399 /nfs/dbraw/zinc/10/53/99/1106105399.db2.gz JCBIEICFRJJFBY-OAHLLOKOSA-N 1 0 300.333 3.033 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1c(F)cc(F)cc1F)C2 ZINC001254574525 1106106659 /nfs/dbraw/zinc/10/66/59/1106106659.db2.gz HZSOGLIZEGWILR-GFCCVEGCSA-N 1 0 322.286 3.269 20 5 DGBDRO CC(=O)c1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577696 1106107532 /nfs/dbraw/zinc/10/75/32/1106107532.db2.gz GKUQLIYWBFFACO-KRWDZBQOSA-N 1 0 310.353 3.054 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCc3ccc(O)cc31)C2 ZINC001254578419 1106107614 /nfs/dbraw/zinc/10/76/14/1106107614.db2.gz LAZQPLRRLCFVQG-KBXCAEBGSA-N 1 0 310.353 3.045 20 5 DGBDRO CC(C)[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254576333 1106107704 /nfs/dbraw/zinc/10/77/04/1106107704.db2.gz VOQSRVLUXHAAFZ-FUHWJXTLSA-N 1 0 311.385 3.444 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3ccccc3n1)C2 ZINC001254580535 1106108465 /nfs/dbraw/zinc/10/84/65/1106108465.db2.gz DQURBBILZWLPGL-KRWDZBQOSA-N 1 0 319.364 3.400 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCc3ccc(F)cc31)C2 ZINC001254579634 1106108606 /nfs/dbraw/zinc/10/86/06/1106108606.db2.gz UPRBZCBRWOINNH-YJBOKZPZSA-N 1 0 312.344 3.478 20 5 DGBDRO Cc1noc2ccc(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc12 ZINC001254585723 1106109192 /nfs/dbraw/zinc/10/91/92/1106109192.db2.gz NIPAKAIXGIIKFD-HNNXBMFYSA-N 1 0 323.352 3.301 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCc3ccccc3C1)C2 ZINC001254584878 1106109309 /nfs/dbraw/zinc/10/93/09/1106109309.db2.gz AURFWOQNJNDVLS-AUUYWEPGSA-N 1 0 322.408 3.457 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H]1c1ccccn1)C2 ZINC001254599008 1106110878 /nfs/dbraw/zinc/11/08/78/1106110878.db2.gz JEZMVANPPSKJPB-WMZOPIPTSA-N 1 0 309.369 3.294 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H](c3ccccn3)C1)C2 ZINC001254599461 1106110955 /nfs/dbraw/zinc/11/09/55/1106110955.db2.gz LTQRHEKHNTYCSC-CRAIPNDOSA-N 1 0 323.396 3.337 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCOC3(CCCCC3)C1)C2 ZINC001254609569 1106112596 /nfs/dbraw/zinc/11/25/96/1106112596.db2.gz XLEDOEINCMBZQM-QGZVFWFLSA-N 1 0 316.401 3.097 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@](C)(CO)C1 ZINC001320643806 1107084968 /nfs/dbraw/zinc/08/49/68/1107084968.db2.gz QGEBXQBQFFCELU-RKCSUWQLSA-N 1 0 304.390 3.093 20 5 DGBDRO COc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)ccc1F ZINC001321475219 1107359171 /nfs/dbraw/zinc/35/91/71/1107359171.db2.gz YEMCNOPYJMTZKV-UHFFFAOYSA-N 1 0 318.348 3.417 20 5 DGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC001474664932 1107497657 /nfs/dbraw/zinc/49/76/57/1107497657.db2.gz LCBMSAIORUAKDN-PYOKUCOHSA-N 1 0 318.417 3.462 20 5 DGBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001322417675 1107668425 /nfs/dbraw/zinc/66/84/25/1107668425.db2.gz ZRRNQPTWPQDXIF-ZNMIVQPWSA-N 1 0 318.421 3.140 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC001262567938 1107726147 /nfs/dbraw/zinc/72/61/47/1107726147.db2.gz IGSNRRAYZYKVSQ-NXHRZFHOSA-N 1 0 312.369 3.022 20 5 DGBDRO CC(C)(C)[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001318527349 1108080959 /nfs/dbraw/zinc/08/09/59/1108080959.db2.gz KSIVDXFUHNSVFW-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO Cc1ccc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001307197425 1111278115 /nfs/dbraw/zinc/27/81/15/1111278115.db2.gz WLWPNRAKJIJITH-CQSZACIVSA-N 1 0 312.373 3.013 20 5 DGBDRO Cn1cc(C[N@@H+]2CCCC3(C2)CCCCCC3)c([N+](=O)[O-])n1 ZINC001307506126 1111307441 /nfs/dbraw/zinc/30/74/41/1111307441.db2.gz LJACAZUUMQYWFB-UHFFFAOYSA-N 1 0 306.410 3.265 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001307562894 1111314178 /nfs/dbraw/zinc/31/41/78/1111314178.db2.gz HZOCECXLTPJLTO-ZIAGYGMSSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001307563499 1111314397 /nfs/dbraw/zinc/31/43/97/1111314397.db2.gz NLHNPTPWAVWLBI-UONOGXRCSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC1(CC)[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC001307743278 1111333930 /nfs/dbraw/zinc/33/39/30/1111333930.db2.gz DAECFWJYFBTQGP-HOTGVXAUSA-N 1 0 322.405 3.157 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC001308032041 1111368957 /nfs/dbraw/zinc/36/89/57/1111368957.db2.gz BCWTZQNDKQDTHC-SFHVURJKSA-N 1 0 322.368 3.322 20 5 DGBDRO CCC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001308137507 1111383128 /nfs/dbraw/zinc/38/31/28/1111383128.db2.gz XNEKUWBRFPPCRI-CQSZACIVSA-N 1 0 319.405 3.496 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2cncn2C)CC1 ZINC001308167904 1111388955 /nfs/dbraw/zinc/38/89/55/1111388955.db2.gz XSIOWXGOOBNYDQ-ZDUSSCGKSA-N 1 0 314.389 3.269 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)N1CCC[C@H](C)C1 ZINC001308200036 1111396892 /nfs/dbraw/zinc/39/68/92/1111396892.db2.gz RVKGOXVXXMWGKL-ZFWWWQNUSA-N 1 0 319.449 3.422 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001308389555 1111424236 /nfs/dbraw/zinc/42/42/36/1111424236.db2.gz DEKQSDDBJMLODL-HNNXBMFYSA-N 1 0 312.369 3.293 20 5 DGBDRO Cc1ccc2ncc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)n2c1 ZINC001308520521 1111437668 /nfs/dbraw/zinc/43/76/68/1111437668.db2.gz ATJKYRVKDAGRKD-ZDUSSCGKSA-N 1 0 310.357 3.402 20 5 DGBDRO CC(C)CC[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001308862884 1111485744 /nfs/dbraw/zinc/48/57/44/1111485744.db2.gz FMRAQPUWEHUHPH-ZDUSSCGKSA-N 1 0 300.786 3.135 20 5 DGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCSC1 ZINC000278432498 214150112 /nfs/dbraw/zinc/15/01/12/214150112.db2.gz KDFRSVSHSGJSFX-SNVBAGLBSA-N 1 0 300.811 3.433 20 5 DGBDRO CC(C)(CO)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163173113 197615438 /nfs/dbraw/zinc/61/54/38/197615438.db2.gz WEWWISNOXFEGGI-INIZCTEOSA-N 1 0 320.433 3.304 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCc4ccccc4C3)nc2c1 ZINC000278689455 214328781 /nfs/dbraw/zinc/32/87/81/214328781.db2.gz MQSGIFVCZXUTNS-CQSZACIVSA-N 1 0 322.368 3.118 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2(O)CCC2)c2ccccc2)c1 ZINC000305813371 231063316 /nfs/dbraw/zinc/06/33/16/231063316.db2.gz IWHVZEKFXYUERS-QGZVFWFLSA-N 1 0 312.369 3.189 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000427845814 529418231 /nfs/dbraw/zinc/41/82/31/529418231.db2.gz FYQIXWXUDCXQAK-DFBGVHRSSA-N 1 0 324.446 3.215 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000322725267 231211710 /nfs/dbraw/zinc/21/17/10/231211710.db2.gz RYSHNCULIGFMBU-STQMWFEESA-N 1 0 312.373 3.182 20 5 DGBDRO CC[C@@H](CO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295646166 529504772 /nfs/dbraw/zinc/50/47/72/529504772.db2.gz GYKVSXSZRIBWEQ-JTQLQIEISA-N 1 0 307.177 3.104 20 5 DGBDRO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090519567 185299991 /nfs/dbraw/zinc/29/99/91/185299991.db2.gz VDZQXSZDALKQEN-CXAGYDPISA-N 1 0 300.358 3.287 20 5 DGBDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000090529655 185300494 /nfs/dbraw/zinc/30/04/94/185300494.db2.gz PNSAYXWCRWNKRU-ZWNOBZJWSA-N 1 0 302.378 3.217 20 5 DGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC000090538604 185301630 /nfs/dbraw/zinc/30/16/30/185301630.db2.gz IQUVQQKTBCSBDL-CYBMUJFWSA-N 1 0 314.389 3.021 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H](C)O ZINC000279096265 214633947 /nfs/dbraw/zinc/63/39/47/214633947.db2.gz NXJKZVNWWHEMHQ-STQMWFEESA-N 1 0 312.435 3.216 20 5 DGBDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CCC2)c([N+](=O)[O-])cc1OC ZINC000092780996 185340342 /nfs/dbraw/zinc/34/03/42/185340342.db2.gz LRPFFVQNZOOKIH-AWEZNQCLSA-N 1 0 320.389 3.377 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCCn2ccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000279167712 214673885 /nfs/dbraw/zinc/67/38/85/214673885.db2.gz UNGDXADSMYHQQE-INIZCTEOSA-N 1 0 314.389 3.194 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000415758988 529730483 /nfs/dbraw/zinc/73/04/83/529730483.db2.gz IDMHXBWQEOSPDK-INIZCTEOSA-N 1 0 322.409 3.042 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000104078689 432013629 /nfs/dbraw/zinc/01/36/29/432013629.db2.gz OFMASKDVDMPXJJ-VXGBXAGGSA-N 1 0 316.361 3.408 20 5 DGBDRO CC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130136245 432016374 /nfs/dbraw/zinc/01/63/74/432016374.db2.gz MJASUPVLHOLSKR-KMFMINBZSA-N 1 0 306.406 3.057 20 5 DGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000272675235 210079199 /nfs/dbraw/zinc/07/91/99/210079199.db2.gz UMUMSBGGJISXID-QDTKCAEZSA-N 1 0 304.390 3.091 20 5 DGBDRO CO[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000130279991 432019779 /nfs/dbraw/zinc/01/97/79/432019779.db2.gz XMYJEHVRKUUQHY-HNNXBMFYSA-N 1 0 316.357 3.466 20 5 DGBDRO C[C@@H](CCn1cccn1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272530644 209943223 /nfs/dbraw/zinc/94/32/23/209943223.db2.gz OXOKBWRNDAHFTA-LBPRGKRZSA-N 1 0 322.796 3.056 20 5 DGBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000279959754 215272136 /nfs/dbraw/zinc/27/21/36/215272136.db2.gz YHRYVGDFHCBNJF-UKRRQHHQSA-N 1 0 322.405 3.119 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CC)cc1[N+](=O)[O-] ZINC000152600315 186088461 /nfs/dbraw/zinc/08/84/61/186088461.db2.gz SBQJVWXETDXHSX-ZFWWWQNUSA-N 1 0 321.421 3.128 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000188012299 186243647 /nfs/dbraw/zinc/24/36/47/186243647.db2.gz GXKUWJBAALGLDI-NFAWXSAZSA-N 1 0 322.405 3.195 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000191867770 186267262 /nfs/dbraw/zinc/26/72/62/186267262.db2.gz ZREZRDWVMZPXGN-DOMZBBRYSA-N 1 0 319.405 3.399 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2O)s1 ZINC000172632409 198129186 /nfs/dbraw/zinc/12/91/86/198129186.db2.gz QQNLKGQHJUXIKY-UKRRQHHQSA-N 1 0 318.398 3.326 20 5 DGBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000130683341 432028107 /nfs/dbraw/zinc/02/81/07/432028107.db2.gz XNIXLHRLTIVYIM-INIZCTEOSA-N 1 0 314.389 3.314 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000072693726 191216448 /nfs/dbraw/zinc/21/64/48/191216448.db2.gz ZFKKPMXIHJJQLI-CJNGLKHVSA-N 1 0 317.389 3.106 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000173307840 198206504 /nfs/dbraw/zinc/20/65/04/198206504.db2.gz IBTGLHBEGWCDFZ-HWPZZCPQSA-N 1 0 322.311 3.257 20 5 DGBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173431626 198214475 /nfs/dbraw/zinc/21/44/75/198214475.db2.gz MLZXPEIUOIJISQ-GHMZBOCLSA-N 1 0 303.362 3.481 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173386051 198208795 /nfs/dbraw/zinc/20/87/95/198208795.db2.gz SPWXMMZRMVVXJW-STQMWFEESA-N 1 0 302.378 3.087 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173388771 198209236 /nfs/dbraw/zinc/20/92/36/198209236.db2.gz YBVPNIZYXHTFAE-GJZGRUSLSA-N 1 0 305.422 3.366 20 5 DGBDRO COc1ccc(OCC[N@H+](C)Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC000173564548 198228297 /nfs/dbraw/zinc/22/82/97/198228297.db2.gz OAMPGLUCQNWJLW-UHFFFAOYSA-N 1 0 320.345 3.016 20 5 DGBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000331966342 234331814 /nfs/dbraw/zinc/33/18/14/234331814.db2.gz IOKWZDLNXVQURB-HNNXBMFYSA-N 1 0 321.352 3.079 20 5 DGBDRO CC[C@@H]([NH2+]Cc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000174023955 198282612 /nfs/dbraw/zinc/28/26/12/198282612.db2.gz NYJROGLNGZBAJF-MRXNPFEDSA-N 1 0 302.378 3.186 20 5 DGBDRO COCc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000174095555 198291081 /nfs/dbraw/zinc/29/10/81/198291081.db2.gz BDZJOHGLSVYYIK-UHFFFAOYSA-N 1 0 300.358 3.074 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC=CCC2)n1 ZINC000332060107 234442676 /nfs/dbraw/zinc/44/26/76/234442676.db2.gz PLZLOHPFDILVCV-SOUVJXGZSA-N 1 0 304.394 3.221 20 5 DGBDRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174881970 198396485 /nfs/dbraw/zinc/39/64/85/198396485.db2.gz DDHWJIXXUJFYLQ-IUODEOHRSA-N 1 0 318.377 3.166 20 5 DGBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000183681030 199630599 /nfs/dbraw/zinc/63/05/99/199630599.db2.gz RZPONUVMGAGNQE-CYBMUJFWSA-N 1 0 300.786 3.135 20 5 DGBDRO CCc1nn(C)c(CC)c1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000179316959 432054218 /nfs/dbraw/zinc/05/42/18/432054218.db2.gz GJDWZPMXXMWAIM-UHFFFAOYSA-N 1 0 316.405 3.085 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000179397350 432056276 /nfs/dbraw/zinc/05/62/76/432056276.db2.gz MXTFVOWTOPHOBD-CYBMUJFWSA-N 1 0 316.357 3.466 20 5 DGBDRO CC(C)([NH2+]Cc1cccc2nccn21)c1ccc([N+](=O)[O-])cc1 ZINC000179429118 432057945 /nfs/dbraw/zinc/05/79/45/432057945.db2.gz MQVVMSVZHJLSRW-UHFFFAOYSA-N 1 0 310.357 3.267 20 5 DGBDRO COc1ccc(C[NH2+]CCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000237132285 202162507 /nfs/dbraw/zinc/16/25/07/202162507.db2.gz ACHMIVBGNFMRDR-UHFFFAOYSA-N 1 0 316.357 3.162 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[N@@H+]1C1CC1 ZINC000133544958 432066090 /nfs/dbraw/zinc/06/60/90/432066090.db2.gz MENWXTKMANHHJC-NEPJUHHUSA-N 1 0 312.373 3.180 20 5 DGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[N@@H+]1C1CC1 ZINC000133545170 432066361 /nfs/dbraw/zinc/06/63/61/432066361.db2.gz MENWXTKMANHHJC-RYUDHWBXSA-N 1 0 312.373 3.180 20 5 DGBDRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000276848527 213131955 /nfs/dbraw/zinc/13/19/55/213131955.db2.gz DGDCIEGTMTWXTJ-HIFRSBDPSA-N 1 0 308.378 3.041 20 5 DGBDRO C[C@]1(O)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000180186119 199127547 /nfs/dbraw/zinc/12/75/47/199127547.db2.gz ROBHWUHRASORPC-INIZCTEOSA-N 1 0 318.398 3.280 20 5 DGBDRO C[NH+](C)CCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179969614 432075739 /nfs/dbraw/zinc/07/57/39/432075739.db2.gz DTOSEIFPXYDSHP-SFHVURJKSA-N 1 0 313.401 3.226 20 5 DGBDRO COC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000180198702 432080673 /nfs/dbraw/zinc/08/06/73/432080673.db2.gz GNQHRKOXDICLJW-OAHLLOKOSA-N 1 0 304.390 3.075 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1CC(O)C1)CCCC2 ZINC000417319337 237610704 /nfs/dbraw/zinc/61/07/04/237610704.db2.gz BSQJZUUAZZJCOH-MWHAMWOXSA-N 1 0 304.390 3.113 20 5 DGBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420280784 237693672 /nfs/dbraw/zinc/69/36/72/237693672.db2.gz LJFMGZJUHVUHRX-UWVGGRQHSA-N 1 0 315.320 3.126 20 5 DGBDRO CCOC(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188691980 200288903 /nfs/dbraw/zinc/28/89/03/200288903.db2.gz NGYYDHLFGGZJLS-HNNXBMFYSA-N 1 0 306.406 3.321 20 5 DGBDRO CC[C@](C)(O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180494764 432087911 /nfs/dbraw/zinc/08/79/11/432087911.db2.gz OWYVOAXLPQKLOD-ROUUACIJSA-N 1 0 314.385 3.435 20 5 DGBDRO C[N@H+](CCCCCn1cccn1)Cc1ccccc1[N+](=O)[O-] ZINC000170908990 432087799 /nfs/dbraw/zinc/08/77/99/432087799.db2.gz JPBFVVIWRVTBGL-UHFFFAOYSA-N 1 0 302.378 3.094 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000428556385 238025229 /nfs/dbraw/zinc/02/52/29/238025229.db2.gz FOWCNTWPYNSDKE-QZDDGCDVSA-N 1 0 310.353 3.071 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000428385921 238018385 /nfs/dbraw/zinc/01/83/85/238018385.db2.gz CBVBLXDIDCOEDA-ZVVFDCPKSA-N 1 0 316.401 3.499 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000428385920 238018456 /nfs/dbraw/zinc/01/84/56/238018456.db2.gz CBVBLXDIDCOEDA-ZNNBYXKUSA-N 1 0 316.401 3.499 20 5 DGBDRO Cc1c(CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429369352 238049819 /nfs/dbraw/zinc/04/98/19/238049819.db2.gz RSQPFTMMFCWROW-CQSZACIVSA-N 1 0 317.433 3.209 20 5 DGBDRO Cc1c(C(=O)Nc2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000047452757 283565699 /nfs/dbraw/zinc/56/56/99/283565699.db2.gz BOAMIXGYJAPFII-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CSC)C2)cc1[N+](=O)[O-] ZINC000292426317 223070528 /nfs/dbraw/zinc/07/05/28/223070528.db2.gz NEEODXQSEOJLEH-CYBMUJFWSA-N 1 0 310.419 3.178 20 5 DGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCC[C@H]1C ZINC000430239683 238072201 /nfs/dbraw/zinc/07/22/01/238072201.db2.gz BPZWEBJPMMEDED-CJNGLKHVSA-N 1 0 322.405 3.240 20 5 DGBDRO CSC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000433091749 238146516 /nfs/dbraw/zinc/14/65/16/238146516.db2.gz OUZCPIKKJPHPOX-CHWSQXEVSA-N 1 0 324.450 3.150 20 5 DGBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000435731795 238342373 /nfs/dbraw/zinc/34/23/73/238342373.db2.gz NABGXMHVISUOPV-SFHVURJKSA-N 1 0 317.433 3.482 20 5 DGBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000435731794 238342615 /nfs/dbraw/zinc/34/26/15/238342615.db2.gz NABGXMHVISUOPV-GOSISDBHSA-N 1 0 317.433 3.482 20 5 DGBDRO C[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193669403 201098683 /nfs/dbraw/zinc/09/86/83/201098683.db2.gz QYRUYVQIMYSCJR-UHFFFAOYSA-N 1 0 315.329 3.178 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000194415280 201222420 /nfs/dbraw/zinc/22/24/20/201222420.db2.gz HGOMUPKKXFRTJM-GFCCVEGCSA-N 1 0 315.329 3.396 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000271862101 209277397 /nfs/dbraw/zinc/27/73/97/209277397.db2.gz KMZKUOOCBNSVBM-GVDBMIGSSA-N 1 0 316.401 3.075 20 5 DGBDRO COc1ccc(OCC[NH+]2CCC(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000441434022 239049955 /nfs/dbraw/zinc/04/99/55/239049955.db2.gz HZHPNHOAEUTROI-UHFFFAOYSA-N 1 0 322.405 3.350 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442774558 239119949 /nfs/dbraw/zinc/11/99/49/239119949.db2.gz ZMSVQCZGSIQUCH-CQSZACIVSA-N 1 0 321.380 3.376 20 5 DGBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1 ZINC000443657113 239225366 /nfs/dbraw/zinc/22/53/66/239225366.db2.gz QOTMQMTUUUNJGM-UONOGXRCSA-N 1 0 319.405 3.291 20 5 DGBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000195511272 201396222 /nfs/dbraw/zinc/39/62/22/201396222.db2.gz NEYGQUSCEMJPJD-LBPRGKRZSA-N 1 0 306.391 3.075 20 5 DGBDRO O=[N+]([O-])c1cnc(NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000195505991 201396893 /nfs/dbraw/zinc/39/68/93/201396893.db2.gz FUIHKACSZMKDIO-SNVBAGLBSA-N 1 0 324.431 3.362 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CC1CCC1)C(C)C ZINC000444763991 239348903 /nfs/dbraw/zinc/34/89/03/239348903.db2.gz FTGBQDWPSBDKRD-UHFFFAOYSA-N 1 0 319.405 3.352 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000090918453 192945706 /nfs/dbraw/zinc/94/57/06/192945706.db2.gz VXEHBBURHYNDLD-JKSUJKDBSA-N 1 0 314.389 3.447 20 5 DGBDRO Cc1c(C[NH2+][C@@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000271837756 209255617 /nfs/dbraw/zinc/25/56/17/209255617.db2.gz XWXJCTVVEOVQET-INIZCTEOSA-N 1 0 300.358 3.117 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc4cc[nH]c43)nc2c1 ZINC000446849360 239581683 /nfs/dbraw/zinc/58/16/83/239581683.db2.gz XNTVDOURNPDXQH-UHFFFAOYSA-N 1 0 321.340 3.242 20 5 DGBDRO COCc1ccccc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449072529 240002700 /nfs/dbraw/zinc/00/27/00/240002700.db2.gz QAFGBNURZRPGLV-CQSZACIVSA-N 1 0 314.385 3.462 20 5 DGBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000449106960 240020522 /nfs/dbraw/zinc/02/05/22/240020522.db2.gz NYIMXTILQQGFLL-JKSUJKDBSA-N 1 0 319.449 3.236 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1O ZINC000449112022 240023695 /nfs/dbraw/zinc/02/36/95/240023695.db2.gz OZYKYEHUVQPMHG-GFCCVEGCSA-N 1 0 316.357 3.030 20 5 DGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449129370 240030347 /nfs/dbraw/zinc/03/03/47/240030347.db2.gz BUWSIODBAHJVBA-KGLIPLIRSA-N 1 0 314.385 3.452 20 5 DGBDRO Cc1ccn2cc(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])nc2c1 ZINC000449131381 240030756 /nfs/dbraw/zinc/03/07/56/240030756.db2.gz MGCLQFFROQWBJB-AWEZNQCLSA-N 1 0 324.384 3.272 20 5 DGBDRO COCc1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449081048 240006584 /nfs/dbraw/zinc/00/65/84/240006584.db2.gz BJBIPBGQLBYMJW-AWEZNQCLSA-N 1 0 314.385 3.462 20 5 DGBDRO CCC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000449172571 240050839 /nfs/dbraw/zinc/05/08/39/240050839.db2.gz KARGMCTVYDOUNW-AWEZNQCLSA-N 1 0 306.406 3.322 20 5 DGBDRO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449174240 240053088 /nfs/dbraw/zinc/05/30/88/240053088.db2.gz MIHDIZSMSOPYHA-LSDHHAIUSA-N 1 0 308.422 3.160 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000449174323 240053364 /nfs/dbraw/zinc/05/33/64/240053364.db2.gz PBYZSGMVZIOUCI-JWZBEHFJSA-N 1 0 318.417 3.319 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000449250309 240091744 /nfs/dbraw/zinc/09/17/44/240091744.db2.gz NVDGPNKRCAOACQ-XHDPSFHLSA-N 1 0 316.332 3.388 20 5 DGBDRO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000449348649 240149876 /nfs/dbraw/zinc/14/98/76/240149876.db2.gz MRIAGEAMVDAVBM-LBPRGKRZSA-N 1 0 316.357 3.463 20 5 DGBDRO Cc1cnn(C)c1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498416 240249319 /nfs/dbraw/zinc/24/93/19/240249319.db2.gz KMRPZRYUZRIKTN-HNNXBMFYSA-N 1 0 314.389 3.016 20 5 DGBDRO Cc1cccnc1CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449484101 240235804 /nfs/dbraw/zinc/23/58/04/240235804.db2.gz FCMNGBGEATXVJT-HNNXBMFYSA-N 1 0 313.401 3.452 20 5 DGBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000449507690 240256868 /nfs/dbraw/zinc/25/68/68/240256868.db2.gz FQMXHOQIQQPIBS-JSGCOSHPSA-N 1 0 300.424 3.035 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(Cl)c1 ZINC000449557544 240288408 /nfs/dbraw/zinc/28/84/08/240288408.db2.gz UYVDZQGDSCBTAC-XUJVJEKNSA-N 1 0 324.808 3.231 20 5 DGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(C2CC2)o1 ZINC000449708518 240376723 /nfs/dbraw/zinc/37/67/23/240376723.db2.gz VKKDLZBWZQPYEM-NSHDSACASA-N 1 0 301.346 3.181 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](O)C3CCC3)o2)c1 ZINC000449739336 240393677 /nfs/dbraw/zinc/39/36/77/240393677.db2.gz KIJFSBNZYNPJDZ-INIZCTEOSA-N 1 0 316.357 3.105 20 5 DGBDRO C[NH+](C)C1(CNc2nccc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000450252325 240622452 /nfs/dbraw/zinc/62/24/52/240622452.db2.gz YETXQRFAQINPGE-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1ccccc1CN(CC[NH+]1CCCCC1)C1CC1 ZINC000135241016 432106844 /nfs/dbraw/zinc/10/68/44/432106844.db2.gz WOSKZVCUPVREJH-UHFFFAOYSA-N 1 0 303.406 3.045 20 5 DGBDRO CC[C@@H](C)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091796012 193109970 /nfs/dbraw/zinc/10/99/70/193109970.db2.gz KIIOSIGBFTVLNO-CYBMUJFWSA-N 1 0 316.405 3.473 20 5 DGBDRO CC[C@H](C)[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000450856652 240896567 /nfs/dbraw/zinc/89/65/67/240896567.db2.gz IKXPWVHWDXRAIL-ZDUSSCGKSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@H](NCc1c([N+](=O)[O-])ncn1C)c1cccc(C2CC2)c1 ZINC000451115990 241012149 /nfs/dbraw/zinc/01/21/49/241012149.db2.gz PZHNKCBXLOPIDN-NSHDSACASA-N 1 0 300.362 3.057 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@@H](C)CCC1(C)C ZINC000452015898 241299253 /nfs/dbraw/zinc/29/92/53/241299253.db2.gz VVMMTSNVTMXFKC-ZDUSSCGKSA-N 1 0 319.405 3.495 20 5 DGBDRO C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000189994454 432110325 /nfs/dbraw/zinc/11/03/25/432110325.db2.gz RALWIVGDYZLAHD-VXGBXAGGSA-N 1 0 323.393 3.159 20 5 DGBDRO CC[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000271786604 209214135 /nfs/dbraw/zinc/21/41/35/209214135.db2.gz WEBLFNFOLPAJNL-HOTGVXAUSA-N 1 0 320.389 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000271780259 209208278 /nfs/dbraw/zinc/20/82/78/209208278.db2.gz DNUAOEWSWTVPEW-CFVMTHIKSA-N 1 0 322.792 3.295 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000271767652 209197217 /nfs/dbraw/zinc/19/72/17/209197217.db2.gz NJGBGPZQUOOLPA-ZUZCIYMTSA-N 1 0 322.311 3.257 20 5 DGBDRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000111254922 284076890 /nfs/dbraw/zinc/07/68/90/284076890.db2.gz TUASEQORMDPTBE-JTQLQIEISA-N 1 0 313.785 3.165 20 5 DGBDRO C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000171261833 432118575 /nfs/dbraw/zinc/11/85/75/432118575.db2.gz HBDAMDQTGRTRMB-MQYQWHSLSA-N 1 0 319.405 3.033 20 5 DGBDRO C[C@H]([NH2+]CCN1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000467839557 244008518 /nfs/dbraw/zinc/00/85/18/244008518.db2.gz NZCDDSYQHNJTCR-AWEZNQCLSA-N 1 0 311.385 3.308 20 5 DGBDRO CCN(CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)C ZINC000468645667 244059259 /nfs/dbraw/zinc/05/92/59/244059259.db2.gz QWIUAVSEOKCBFO-PTNGSMBKSA-N 1 0 305.422 3.318 20 5 DGBDRO CO[C@@H]1C[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000469164624 244087065 /nfs/dbraw/zinc/08/70/65/244087065.db2.gz ZXPMCKHPMDHGEE-YHTPHNNESA-N 1 0 304.390 3.401 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH2+]CC12CCCCC2 ZINC000470015458 244138537 /nfs/dbraw/zinc/13/85/37/244138537.db2.gz BKRSUBZIHWRYFY-SOFGYWHQSA-N 1 0 315.417 3.216 20 5 DGBDRO CCC1(O)CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470180276 244155705 /nfs/dbraw/zinc/15/57/05/244155705.db2.gz LFRCIMWACBUTAV-SDNWHVSQSA-N 1 0 304.390 3.235 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCCO[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000472578966 244309250 /nfs/dbraw/zinc/30/92/50/244309250.db2.gz NPBIBHULPLAKHZ-RHSMWYFYSA-N 1 0 322.405 3.487 20 5 DGBDRO Cc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093563800 193268150 /nfs/dbraw/zinc/26/81/50/193268150.db2.gz SQPCGBTZKVIAPU-QGZVFWFLSA-N 1 0 317.433 3.354 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597135 193273055 /nfs/dbraw/zinc/27/30/55/193273055.db2.gz PDHZADZMBHZKCB-BIENSFFJSA-N 1 0 315.417 3.026 20 5 DGBDRO CC(C)[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000120731803 284177241 /nfs/dbraw/zinc/17/72/41/284177241.db2.gz LGTGZVCEVYIIQN-WMLDXEAASA-N 1 0 305.422 3.366 20 5 DGBDRO COc1ccc(C[NH2+]Cc2scnc2C2CC2)cc1[N+](=O)[O-] ZINC000486960335 245005589 /nfs/dbraw/zinc/00/55/89/245005589.db2.gz BATGAFVHOFDIBB-UHFFFAOYSA-N 1 0 319.386 3.227 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000488734069 245225462 /nfs/dbraw/zinc/22/54/62/245225462.db2.gz PZKYORARQZNRGH-CYBMUJFWSA-N 1 0 303.406 3.214 20 5 DGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000489130566 245273231 /nfs/dbraw/zinc/27/32/31/245273231.db2.gz JZBFMEUSTVTVKR-CQSZACIVSA-N 1 0 303.406 3.216 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000490069739 245377986 /nfs/dbraw/zinc/37/79/86/245377986.db2.gz YDERQVVLIKQLBP-MRXNPFEDSA-N 1 0 312.369 3.420 20 5 DGBDRO Cc1ccccc1[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000126088625 284293333 /nfs/dbraw/zinc/29/33/33/284293333.db2.gz WIJKGBPKAQYNHH-SFHVURJKSA-N 1 0 312.369 3.477 20 5 DGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CC2CCC2)c2ccccc2)n1 ZINC000181355502 432125497 /nfs/dbraw/zinc/12/54/97/432125497.db2.gz HPHFZPGTIARDEK-MRXNPFEDSA-N 1 0 314.389 3.312 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000271700050 209137197 /nfs/dbraw/zinc/13/71/97/209137197.db2.gz LITIFAGNMNBRBA-CYBMUJFWSA-N 1 0 324.384 3.375 20 5 DGBDRO CCOC(=O)CCCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271700550 209136303 /nfs/dbraw/zinc/13/63/03/209136303.db2.gz HGTUQQXXHGYJNG-ZDUSSCGKSA-N 1 0 308.378 3.369 20 5 DGBDRO CC[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000266131106 205123371 /nfs/dbraw/zinc/12/33/71/205123371.db2.gz DBKNDJGVXUIIET-ABAIWWIYSA-N 1 0 311.813 3.068 20 5 DGBDRO CCCC[N@H+](C)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127851004 284354719 /nfs/dbraw/zinc/35/47/19/284354719.db2.gz PDLHTVRZNOEBEV-UHFFFAOYSA-N 1 0 322.409 3.065 20 5 DGBDRO COc1cccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000267191540 205879519 /nfs/dbraw/zinc/87/95/19/205879519.db2.gz DIBIDXFYPWFEIX-ZDUSSCGKSA-N 1 0 300.358 3.497 20 5 DGBDRO Cc1c(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cccc1[N+](=O)[O-] ZINC000494502374 246156698 /nfs/dbraw/zinc/15/66/98/246156698.db2.gz FDIVMYWRDLDREI-HYVNUMGLSA-N 1 0 316.401 3.341 20 5 DGBDRO C[C@]1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000494799352 246193984 /nfs/dbraw/zinc/19/39/84/246193984.db2.gz JAAUDCUSEAMOPK-GJZGRUSLSA-N 1 0 310.781 3.295 20 5 DGBDRO Cc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000137407509 284519056 /nfs/dbraw/zinc/51/90/56/284519056.db2.gz MBCVLQABVOQWAC-CYBMUJFWSA-N 1 0 313.357 3.193 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000294950760 296240581 /nfs/dbraw/zinc/24/05/81/296240581.db2.gz ATIZOKHAKJCJSP-KGLIPLIRSA-N 1 0 303.406 3.072 20 5 DGBDRO COC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000246586551 432145988 /nfs/dbraw/zinc/14/59/88/432145988.db2.gz ZANUNPBNSLYXHR-XIRDDKMYSA-N 1 0 318.417 3.321 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCOCC3)CC2)c(F)c1 ZINC000284824708 218192986 /nfs/dbraw/zinc/19/29/86/218192986.db2.gz RHWUQLLSCPQNJO-UHFFFAOYSA-N 1 0 308.353 3.127 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000105445445 194104092 /nfs/dbraw/zinc/10/40/92/194104092.db2.gz LDYODYRBNPBEAK-UHFFFAOYSA-N 1 0 311.341 3.375 20 5 DGBDRO Cc1nccn1C[C@H](C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000105442934 194105119 /nfs/dbraw/zinc/10/51/19/194105119.db2.gz FUPFAERPHOYICV-HZRUHFOJSA-N 1 0 314.389 3.039 20 5 DGBDRO Cc1nc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)sc1C ZINC000284943521 218244830 /nfs/dbraw/zinc/24/48/30/218244830.db2.gz DWAKYQZWFQICCL-SNVBAGLBSA-N 1 0 320.418 3.144 20 5 DGBDRO C[N@H+](CC[C@@H](O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000285069477 218278497 /nfs/dbraw/zinc/27/84/97/218278497.db2.gz DZXLPGLWNDVMPQ-QGZVFWFLSA-N 1 0 300.358 3.150 20 5 DGBDRO Cc1csc([C@@H](C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000285316548 218379148 /nfs/dbraw/zinc/37/91/48/218379148.db2.gz SVBDOHOPKMNZHT-GXSJLCMTSA-N 1 0 320.418 3.396 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285346614 218390851 /nfs/dbraw/zinc/39/08/51/218390851.db2.gz UZKZHYSYWSQVTO-TZMCWYRMSA-N 1 0 319.405 3.319 20 5 DGBDRO CCC[C@H](CCO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268890105 207061021 /nfs/dbraw/zinc/06/10/21/207061021.db2.gz CRKQDONYGPDEKC-PBHICJAKSA-N 1 0 320.433 3.304 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268971436 207134965 /nfs/dbraw/zinc/13/49/65/207134965.db2.gz NCNJIIDTQWZRRA-VFQAQYNWSA-N 1 0 302.374 3.299 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C(C)C)C1CC1 ZINC000063492997 184283598 /nfs/dbraw/zinc/28/35/98/184283598.db2.gz QOBVCOAVZYDSFQ-UHFFFAOYSA-N 1 0 305.378 3.105 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000161978560 197534602 /nfs/dbraw/zinc/53/46/02/197534602.db2.gz UHDRPCBPZSCTKJ-YUDUHTQSSA-N 1 0 304.390 3.367 20 5 DGBDRO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000249063172 285051087 /nfs/dbraw/zinc/05/10/87/285051087.db2.gz PWZYOIAVQLWNRP-LLLHUVSDSA-N 1 0 318.417 3.463 20 5 DGBDRO CC(C)n1nccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000337197933 253060266 /nfs/dbraw/zinc/06/02/66/253060266.db2.gz ZELHBAOXKFNONH-UHFFFAOYSA-N 1 0 302.378 3.397 20 5 DGBDRO O=C(CC[NH+](CC1CC1)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000337310833 253083993 /nfs/dbraw/zinc/08/39/93/253083993.db2.gz BMRWYXIXDQBUOI-UHFFFAOYSA-N 1 0 317.389 3.045 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000337320178 253086077 /nfs/dbraw/zinc/08/60/77/253086077.db2.gz OOCVCDHGRIBGQR-AWEZNQCLSA-N 1 0 317.389 3.212 20 5 DGBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000337321906 253087382 /nfs/dbraw/zinc/08/73/82/253087382.db2.gz QMXHQOAVOGNCBE-ZDUSSCGKSA-N 1 0 319.405 3.291 20 5 DGBDRO C[NH2+][C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435369667 533038560 /nfs/dbraw/zinc/03/85/60/533038560.db2.gz GBJAHGAWNMLIIZ-ZDUSSCGKSA-N 1 0 317.414 3.117 20 5 DGBDRO COCC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000337386895 253103393 /nfs/dbraw/zinc/10/33/93/253103393.db2.gz FZIXWZYKHZFYKI-INIZCTEOSA-N 1 0 318.417 3.322 20 5 DGBDRO C[C@@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337456827 253119030 /nfs/dbraw/zinc/11/90/30/253119030.db2.gz ICXKFMBXCKOGMI-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270254501 208317601 /nfs/dbraw/zinc/31/76/01/208317601.db2.gz GUEFQZXZQQQUDA-CYBMUJFWSA-N 1 0 318.373 3.353 20 5 DGBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000337951786 253199420 /nfs/dbraw/zinc/19/94/20/253199420.db2.gz LSJFCDJSDRDCCO-TXNVCOODSA-N 1 0 301.321 3.493 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCn2cccn2)cc1[N+](=O)[O-] ZINC000159084223 197325411 /nfs/dbraw/zinc/32/54/11/197325411.db2.gz VHZCWVRMADNMRE-ZIAGYGMSSA-N 1 0 302.378 3.229 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CC[C@H]3C3CCC3)nc2c1 ZINC000338956838 253379145 /nfs/dbraw/zinc/37/91/45/253379145.db2.gz KSAUEXZCTDUYFK-QWHCGFSZSA-N 1 0 300.362 3.139 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CC[C@@H]3C3CCC3)nc2c1 ZINC000338956836 253379364 /nfs/dbraw/zinc/37/93/64/253379364.db2.gz KSAUEXZCTDUYFK-OLZOCXBDSA-N 1 0 300.362 3.139 20 5 DGBDRO CC[C@@H](COC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000120224478 195123618 /nfs/dbraw/zinc/12/36/18/195123618.db2.gz GXIBKSVCQLVGLW-LBPRGKRZSA-N 1 0 321.402 3.233 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](O)C2)s1 ZINC000158765182 197300378 /nfs/dbraw/zinc/30/03/78/197300378.db2.gz LLXKZLPIVOCIAG-LBPRGKRZSA-N 1 0 318.398 3.280 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255295509 285143338 /nfs/dbraw/zinc/14/33/38/285143338.db2.gz CGSIYTKLHYQRQG-DZFYGRHCSA-N 1 0 303.406 3.024 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)CCC2 ZINC000192885214 285145209 /nfs/dbraw/zinc/14/52/09/285145209.db2.gz SBGXOVUSXBXPCM-KBRIMQKVSA-N 1 0 304.390 3.113 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000341149606 253753658 /nfs/dbraw/zinc/75/36/58/253753658.db2.gz TXYPTVIOYQUOLT-GFCCVEGCSA-N 1 0 317.393 3.070 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000236047652 285154053 /nfs/dbraw/zinc/15/40/53/285154053.db2.gz DPQMSTWZFQWFQC-CYBMUJFWSA-N 1 0 309.797 3.217 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@@H]1CCCCO1)C1CC1 ZINC000180262338 285161423 /nfs/dbraw/zinc/16/14/23/285161423.db2.gz ZXYUQWIYRGLZKW-DLBZAZTESA-N 1 0 318.417 3.465 20 5 DGBDRO CC(C)(C)c1ncc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000342776196 254047982 /nfs/dbraw/zinc/04/79/82/254047982.db2.gz JYUJSRJFVNFOEK-UHFFFAOYSA-N 1 0 314.389 3.015 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccs2)n1 ZINC000447519914 285169783 /nfs/dbraw/zinc/16/97/83/285169783.db2.gz ROJMYUQNNCJPNJ-OLZOCXBDSA-N 1 0 306.391 3.126 20 5 DGBDRO CC[C@@H](C)C[N@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343682060 254177580 /nfs/dbraw/zinc/17/75/80/254177580.db2.gz HSVALVJFTACTFC-CHWSQXEVSA-N 1 0 307.394 3.290 20 5 DGBDRO CCN(CC[NH+]1CCCCCC1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000343812931 254191189 /nfs/dbraw/zinc/19/11/89/254191189.db2.gz WMMXXNIYEJATGH-UHFFFAOYSA-N 1 0 306.410 3.001 20 5 DGBDRO CC[C@@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000344229437 254241921 /nfs/dbraw/zinc/24/19/21/254241921.db2.gz HIUZIMBVIQFGLT-KRWDZBQOSA-N 1 0 319.405 3.354 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1CCCC1 ZINC000344242724 254244323 /nfs/dbraw/zinc/24/43/23/254244323.db2.gz OMECJJFDCQXXOI-GFCCVEGCSA-N 1 0 305.378 3.044 20 5 DGBDRO CC[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344283009 254249975 /nfs/dbraw/zinc/24/99/75/254249975.db2.gz WCDFHVSKVZLTFQ-MLGOLLRUSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344001331 254211124 /nfs/dbraw/zinc/21/11/24/254211124.db2.gz YLUPZYRCPYNTCH-JSGCOSHPSA-N 1 0 317.389 3.044 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCCS1 ZINC000344320252 254256275 /nfs/dbraw/zinc/25/62/75/254256275.db2.gz CEBVQZVJTNUBTE-AWEZNQCLSA-N 1 0 310.419 3.369 20 5 DGBDRO COc1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000344833720 254309057 /nfs/dbraw/zinc/30/90/57/254309057.db2.gz ZVSLNYCEDDULOY-NSHDSACASA-N 1 0 300.305 3.271 20 5 DGBDRO COc1cc(C[NH2+]CC2(C)CCCCC2)c([N+](=O)[O-])cc1O ZINC000344960780 254319261 /nfs/dbraw/zinc/31/92/61/254319261.db2.gz FBFXPKAPOFQRRX-UHFFFAOYSA-N 1 0 308.378 3.369 20 5 DGBDRO CC(C)n1cc2c(n1)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000345024193 254324261 /nfs/dbraw/zinc/32/42/61/254324261.db2.gz TVSUSBKKYCINGG-OAHLLOKOSA-N 1 0 314.389 3.019 20 5 DGBDRO CCn1nccc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278978927 285221088 /nfs/dbraw/zinc/22/10/88/285221088.db2.gz YVLULUVAEGHNDD-UHFFFAOYSA-N 1 0 314.389 3.191 20 5 DGBDRO CO[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000294775799 224212978 /nfs/dbraw/zinc/21/29/78/224212978.db2.gz KQSANICUFYIKDT-CQSZACIVSA-N 1 0 306.387 3.004 20 5 DGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000291746746 285250464 /nfs/dbraw/zinc/25/04/64/285250464.db2.gz PPBITPLQRKVLQW-BDJLRTHQSA-N 1 0 318.398 3.448 20 5 DGBDRO CC(C)[NH2+]C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153761032 196906448 /nfs/dbraw/zinc/90/64/48/196906448.db2.gz UCTLXDTVEMTVEO-UHFFFAOYSA-N 1 0 311.813 3.211 20 5 DGBDRO C[N@H+](CCC1CCOCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120746575 195230348 /nfs/dbraw/zinc/23/03/48/195230348.db2.gz MDARRWYFFZXNRJ-UHFFFAOYSA-N 1 0 312.797 3.497 20 5 DGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000271565833 209018220 /nfs/dbraw/zinc/01/82/20/209018220.db2.gz XUWAPMTXARNWPA-SWLSCSKDSA-N 1 0 314.389 3.306 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCC[C@H](C)CO)cc1[N+](=O)[O-] ZINC000271583663 209034213 /nfs/dbraw/zinc/03/42/13/209034213.db2.gz XGAABCJEWPNHKM-QWHCGFSZSA-N 1 0 310.394 3.053 20 5 DGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289537836 221052008 /nfs/dbraw/zinc/05/20/08/221052008.db2.gz HXMJKLQFKXFNBD-LKEBIXNSSA-N 1 0 315.417 3.167 20 5 DGBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@@H]1CCCO1 ZINC000289803774 221236511 /nfs/dbraw/zinc/23/65/11/221236511.db2.gz NWTBPSOBVDRTCC-JKSUJKDBSA-N 1 0 304.390 3.027 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](CO)C3)o2)c1 ZINC000294948044 224332196 /nfs/dbraw/zinc/33/21/96/224332196.db2.gz CVFGVHOINBYQTK-OCCSQVGLSA-N 1 0 316.357 3.105 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000294950756 224333130 /nfs/dbraw/zinc/33/31/30/224333130.db2.gz ATIZOKHAKJCJSP-KBPBESRZSA-N 1 0 303.406 3.072 20 5 DGBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290175714 221466940 /nfs/dbraw/zinc/46/69/40/221466940.db2.gz NCOSGWPZCBWNHK-IXYNUQLISA-N 1 0 306.406 3.319 20 5 DGBDRO Cc1cc(NCC[C@H](C)CCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000295011756 224377996 /nfs/dbraw/zinc/37/79/96/224377996.db2.gz SYDZTRYICJPNIU-NSHDSACASA-N 1 0 303.362 3.272 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1CCOCC1 ZINC000470173070 533407012 /nfs/dbraw/zinc/40/70/12/533407012.db2.gz HPPHJNZHBNFBPZ-GXDHUFHOSA-N 1 0 304.390 3.357 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000470203259 533407492 /nfs/dbraw/zinc/40/74/92/533407492.db2.gz PMBTZDNZAVEMTE-CZAWJFPGSA-N 1 0 314.389 3.425 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000470181502 533407709 /nfs/dbraw/zinc/40/77/09/533407709.db2.gz DEPUVPIOWAVTIU-QSNQCMLGSA-N 1 0 304.390 3.091 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000595051754 400090679 /nfs/dbraw/zinc/09/06/79/400090679.db2.gz NRXVKMXFQGPBRE-OLZOCXBDSA-N 1 0 322.405 3.459 20 5 DGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000595069827 400097031 /nfs/dbraw/zinc/09/70/31/400097031.db2.gz SKWAOMBTNTWBHW-LZWOXQAQSA-N 1 0 318.417 3.057 20 5 DGBDRO CCc1nocc1C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000293334091 400098281 /nfs/dbraw/zinc/09/82/81/400098281.db2.gz GSIWSXGVTUPKBM-UHFFFAOYSA-N 1 0 319.361 3.046 20 5 DGBDRO CC(C)C[C@@H](CO)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595072758 400098743 /nfs/dbraw/zinc/09/87/43/400098743.db2.gz PSDWTIJVJIESRF-BHYGNILZSA-N 1 0 320.433 3.303 20 5 DGBDRO O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000302885831 400103349 /nfs/dbraw/zinc/10/33/49/400103349.db2.gz YHZMBKMKMRAJMK-HNNXBMFYSA-N 1 0 312.373 3.066 20 5 DGBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595102865 400106331 /nfs/dbraw/zinc/10/63/31/400106331.db2.gz KDHGWERVITVQJR-SRVKXCTJSA-N 1 0 318.398 3.497 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@H]1OC ZINC000595027837 400081541 /nfs/dbraw/zinc/08/15/41/400081541.db2.gz UALOCXUQXDRSAD-YWPYICTPSA-N 1 0 308.378 3.069 20 5 DGBDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000090891720 400082195 /nfs/dbraw/zinc/08/21/95/400082195.db2.gz DRMYONHVMQRPPX-PXAZEXFGSA-N 1 0 318.348 3.292 20 5 DGBDRO COc1ccccc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090909787 400082417 /nfs/dbraw/zinc/08/24/17/400082417.db2.gz GWVQHWGMBYHSAX-CYBMUJFWSA-N 1 0 300.358 3.497 20 5 DGBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000066371862 400082600 /nfs/dbraw/zinc/08/26/00/400082600.db2.gz JHEUFAFJRRUXGT-UHFFFAOYSA-N 1 0 322.365 3.179 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccncc1C ZINC000595035907 400083717 /nfs/dbraw/zinc/08/37/17/400083717.db2.gz NFXHXZLCHNNSCE-CYBMUJFWSA-N 1 0 315.373 3.200 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000595035399 400083931 /nfs/dbraw/zinc/08/39/31/400083931.db2.gz ITNSHLLVQKBJKI-VXGBXAGGSA-N 1 0 308.378 3.212 20 5 DGBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595511693 400173861 /nfs/dbraw/zinc/17/38/61/400173861.db2.gz KACLJFUAHGPKHC-GJZGRUSLSA-N 1 0 310.369 3.416 20 5 DGBDRO CC1(C)[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000595511711 400174156 /nfs/dbraw/zinc/17/41/56/400174156.db2.gz KMLMWZOCEIUNSX-BPLDGKMQSA-N 1 0 308.353 3.027 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000609540443 400174575 /nfs/dbraw/zinc/17/45/75/400174575.db2.gz XTWPTVRRDBZXPD-CYBMUJFWSA-N 1 0 302.330 3.056 20 5 DGBDRO C[NH+](C)CCOc1ccc(CNc2ccsc2[N+](=O)[O-])cc1 ZINC000608778858 400119625 /nfs/dbraw/zinc/11/96/25/400119625.db2.gz MICBCTRTXDWBDF-UHFFFAOYSA-N 1 0 321.402 3.209 20 5 DGBDRO CC[C@@H](C)[NH2+][C@H](CNc1cccnc1[N+](=O)[O-])c1ccco1 ZINC000588067114 400185492 /nfs/dbraw/zinc/18/54/92/400185492.db2.gz WHJZHJOWEWXEOU-DGCLKSJQSA-N 1 0 304.350 3.124 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000305797740 400123808 /nfs/dbraw/zinc/12/38/08/400123808.db2.gz WCMBJLWSNVZJAS-CQSZACIVSA-N 1 0 314.385 3.289 20 5 DGBDRO CCCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000066861688 400126013 /nfs/dbraw/zinc/12/60/13/400126013.db2.gz YMLWTBHILXOICY-NSHDSACASA-N 1 0 304.350 3.438 20 5 DGBDRO C[N@H+](CCc1cccc(Nc2ncccc2[N+](=O)[O-])c1)C1CC1 ZINC000091632153 400129495 /nfs/dbraw/zinc/12/94/95/400129495.db2.gz VQLLVRDHWSHCKO-UHFFFAOYSA-N 1 0 312.373 3.370 20 5 DGBDRO Cc1noc(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000595338364 400130012 /nfs/dbraw/zinc/13/00/12/400130012.db2.gz RKQNOJXUFVQLIY-HIFRSBDPSA-N 1 0 315.373 3.344 20 5 DGBDRO O=[N+]([O-])c1ccc(Nc2cccc(CC[NH+]3CCCC3)c2)nc1 ZINC000091982372 400146717 /nfs/dbraw/zinc/14/67/17/400146717.db2.gz QLVBYYPNUCKWIV-UHFFFAOYSA-N 1 0 312.373 3.372 20 5 DGBDRO CCN(CC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600775213 400149748 /nfs/dbraw/zinc/14/97/48/400149748.db2.gz LYBBKGLRJSDKFN-UHFFFAOYSA-N 1 0 305.403 3.104 20 5 DGBDRO CC[C@H](NCc1ccc(F)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000595433735 400150115 /nfs/dbraw/zinc/15/01/15/400150115.db2.gz ZZKYQGWISDYQBZ-AWEZNQCLSA-N 1 0 320.368 3.325 20 5 DGBDRO Cc1cc(F)ccc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000317032344 400152988 /nfs/dbraw/zinc/15/29/88/400152988.db2.gz XHNNASFRPHVXOB-UHFFFAOYSA-N 1 0 302.349 3.417 20 5 DGBDRO O=[N+]([O-])c1cc(F)ccc1-c1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000600788654 400154695 /nfs/dbraw/zinc/15/46/95/400154695.db2.gz FQCYJPJTISHJRT-INIZCTEOSA-N 1 0 302.305 3.062 20 5 DGBDRO CN(C)CC[NH2+]Cc1ccc(-c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000600789239 400154920 /nfs/dbraw/zinc/15/49/20/400154920.db2.gz KFJZUDMRWNYZHO-UHFFFAOYSA-N 1 0 317.364 3.052 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586790809 400157739 /nfs/dbraw/zinc/15/77/39/400157739.db2.gz WUYITRNRUYZVQK-JTQLQIEISA-N 1 0 313.313 3.292 20 5 DGBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000609392970 400165183 /nfs/dbraw/zinc/16/51/83/400165183.db2.gz JGWHDWWORDCVFK-UHFFFAOYSA-N 1 0 313.357 3.102 20 5 DGBDRO CCCN(CC[NH+]1CCCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595492389 400167763 /nfs/dbraw/zinc/16/77/63/400167763.db2.gz LRZHIAFNDSDBRU-UHFFFAOYSA-N 1 0 309.385 3.042 20 5 DGBDRO CCC[C@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000067965199 400219867 /nfs/dbraw/zinc/21/98/67/400219867.db2.gz GDJFQXZSBYMPQQ-LBPRGKRZSA-N 1 0 307.394 3.352 20 5 DGBDRO C[C@@H]1COC2(CCC2)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595675509 400224700 /nfs/dbraw/zinc/22/47/00/400224700.db2.gz OQCIFQCQGRROCR-CQSZACIVSA-N 1 0 320.389 3.007 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000025508032 400238583 /nfs/dbraw/zinc/23/85/83/400238583.db2.gz QWYKXKDXOWICAJ-BZPMIXESSA-N 1 0 319.405 3.208 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCCC2)c2ccncc21 ZINC000025570798 400239811 /nfs/dbraw/zinc/23/98/11/400239811.db2.gz QPVLAEPYRUCGRG-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c2ncccc12 ZINC000092652081 400189562 /nfs/dbraw/zinc/18/95/62/400189562.db2.gz IJMMPKLDDJLNML-CYBMUJFWSA-N 1 0 312.373 3.039 20 5 DGBDRO CC[C@H](C)[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595592109 400196176 /nfs/dbraw/zinc/19/61/76/400196176.db2.gz BFCXFEIIJBUXSI-JTQLQIEISA-N 1 0 313.785 3.307 20 5 DGBDRO CCOc1ccc(NC(=O)C[N@H+](CC)[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000595593412 400197267 /nfs/dbraw/zinc/19/72/67/400197267.db2.gz PQWJBFWLRHTUOD-GFCCVEGCSA-N 1 0 323.393 3.052 20 5 DGBDRO CC[C@@H](C)[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595597850 400198576 /nfs/dbraw/zinc/19/85/76/400198576.db2.gz BKTLIKRFNBFKAI-CYBMUJFWSA-N 1 0 307.394 3.352 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000092709647 400198838 /nfs/dbraw/zinc/19/88/38/400198838.db2.gz YUBAPSKPFKTLIK-JSGCOSHPSA-N 1 0 320.389 3.377 20 5 DGBDRO Cc1c(C(=O)Nc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000023899088 400214749 /nfs/dbraw/zinc/21/47/49/400214749.db2.gz UZNLPNTUSYWAKC-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])s1)Cc1ccc(F)cc1 ZINC000610510551 400268009 /nfs/dbraw/zinc/26/80/09/400268009.db2.gz VGDNHOBWJDLLSY-UHFFFAOYSA-N 1 0 309.366 3.339 20 5 DGBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595820269 400269983 /nfs/dbraw/zinc/26/99/83/400269983.db2.gz UIWFABYTFGNBEC-HIFPTAJRSA-N 1 0 323.368 3.040 20 5 DGBDRO [NH3+]CCN(Cc1ccc2cnccc2c1)c1ccccc1[N+](=O)[O-] ZINC000589190890 400271842 /nfs/dbraw/zinc/27/18/42/400271842.db2.gz RJDNKIHBDKMJJR-UHFFFAOYSA-N 1 0 322.368 3.108 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])s3)C2)cc1 ZINC000601250351 400274049 /nfs/dbraw/zinc/27/40/49/400274049.db2.gz LYFPJPCKMKLIEX-ZDUSSCGKSA-N 1 0 318.402 3.046 20 5 DGBDRO CC(C)CC1([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000595832502 400274278 /nfs/dbraw/zinc/27/42/78/400274278.db2.gz WEAKYKAQDKMNIY-LBPRGKRZSA-N 1 0 305.378 3.090 20 5 DGBDRO CC(C)CC1([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000595832269 400274324 /nfs/dbraw/zinc/27/43/24/400274324.db2.gz VSDJROXGOGTJNE-LBPRGKRZSA-N 1 0 305.378 3.090 20 5 DGBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206409 400276879 /nfs/dbraw/zinc/27/68/79/400276879.db2.gz VSWGIQPDMCPMLT-XHDPSFHLSA-N 1 0 311.813 3.020 20 5 DGBDRO CCC[C@@]1(CO)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589210433 400279077 /nfs/dbraw/zinc/27/90/77/400279077.db2.gz CHTCKSXWWXSLDA-XTKXOIQPSA-N 1 0 304.390 3.093 20 5 DGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595858479 400282480 /nfs/dbraw/zinc/28/24/80/400282480.db2.gz VXHIVOWJOSFYQY-PHTAMDTFSA-N 1 0 318.373 3.224 20 5 DGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000589280625 400284964 /nfs/dbraw/zinc/28/49/64/400284964.db2.gz VHRDVCIJJRITBS-SFHVURJKSA-N 1 0 323.396 3.232 20 5 DGBDRO [NH3+][C@@H]1CCc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000595904035 400291051 /nfs/dbraw/zinc/29/10/51/400291051.db2.gz OAVIOTQFXGJHNV-CQSZACIVSA-N 1 0 315.348 3.014 20 5 DGBDRO COCC1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCCCC1 ZINC000595907592 400292492 /nfs/dbraw/zinc/29/24/92/400292492.db2.gz BMAAIGDQIMIKLV-UHFFFAOYSA-N 1 0 314.332 3.312 20 5 DGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2CCCCC2)c1 ZINC000589494316 400301265 /nfs/dbraw/zinc/30/12/65/400301265.db2.gz IMYSFGWSQQVTFP-UHFFFAOYSA-N 1 0 306.362 3.146 20 5 DGBDRO CCOC(=O)C1(N(C)Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000610788377 400306087 /nfs/dbraw/zinc/30/60/87/400306087.db2.gz PJQKKWLINDXQQR-UHFFFAOYSA-N 1 0 320.389 3.293 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000069033145 400306230 /nfs/dbraw/zinc/30/62/30/400306230.db2.gz BVCFRQUKEJECIK-KRWDZBQOSA-N 1 0 303.406 3.045 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000610799555 400307568 /nfs/dbraw/zinc/30/75/68/400307568.db2.gz SNOBLQNFTQVUEV-ZNMIVQPWSA-N 1 0 303.406 3.181 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC3CCCC3)CC2)n1 ZINC000610806828 400309501 /nfs/dbraw/zinc/30/95/01/400309501.db2.gz UCPCJPAFEXJTCX-UHFFFAOYSA-N 1 0 318.421 3.365 20 5 DGBDRO CCC[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610815079 400311649 /nfs/dbraw/zinc/31/16/49/400311649.db2.gz NARQJXBYFGIEMS-WMLDXEAASA-N 1 0 322.405 3.079 20 5 DGBDRO Cc1cc(N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])s1 ZINC000596081472 400312040 /nfs/dbraw/zinc/31/20/40/400312040.db2.gz XVBMVFFATWOFKB-UHFFFAOYSA-N 1 0 309.435 3.419 20 5 DGBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000069142582 400313366 /nfs/dbraw/zinc/31/33/66/400313366.db2.gz UWOIRVWLUTUAOE-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO CC(C)(C)Oc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596087166 400313522 /nfs/dbraw/zinc/31/35/22/400313522.db2.gz FXYLKGYFUKHEKG-ZDUSSCGKSA-N 1 0 319.405 3.421 20 5 DGBDRO CC1CCC(O)(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000596094312 400315266 /nfs/dbraw/zinc/31/52/66/400315266.db2.gz KADHPHQCTXVVTQ-VXKCQOAXSA-N 1 0 304.390 3.113 20 5 DGBDRO C[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094295 400315880 /nfs/dbraw/zinc/31/58/80/400315880.db2.gz JRYFJXFPWMMJBU-GOEBONIOSA-N 1 0 317.433 3.367 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cs1 ZINC000595788283 400259692 /nfs/dbraw/zinc/25/96/92/400259692.db2.gz IFMSHZGVVBFVIC-ZIAGYGMSSA-N 1 0 310.419 3.437 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595789027 400261787 /nfs/dbraw/zinc/26/17/87/400261787.db2.gz PBRMDURNCSJMIN-QGZVFWFLSA-N 1 0 304.390 3.376 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H](CO)CC1CC1 ZINC000611337409 400379772 /nfs/dbraw/zinc/37/97/72/400379772.db2.gz BJQVPNDICSHPCR-USXIJHARSA-N 1 0 318.417 3.057 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000072491993 400382286 /nfs/dbraw/zinc/38/22/86/400382286.db2.gz OBYFQPWATRFLLP-AWEZNQCLSA-N 1 0 319.405 3.210 20 5 DGBDRO C[N@H+]1CC=C(CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596184286 400342624 /nfs/dbraw/zinc/34/26/24/400342624.db2.gz DNSWBENHRFJQOJ-UHFFFAOYSA-N 1 0 315.295 3.287 20 5 DGBDRO CC(C)c1ccc(C[NH2+]C[C@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000069787060 400343782 /nfs/dbraw/zinc/34/37/82/400343782.db2.gz HBVGGBDZMVDQQZ-AWEZNQCLSA-N 1 0 316.405 3.341 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C2CC2)CC1 ZINC000590008681 400347649 /nfs/dbraw/zinc/34/76/49/400347649.db2.gz RNNLAONGOILMJP-GFCCVEGCSA-N 1 0 317.389 3.044 20 5 DGBDRO Cc1ccoc1C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590017488 400348096 /nfs/dbraw/zinc/34/80/96/400348096.db2.gz FNYKAGQSSVRGES-UHFFFAOYSA-N 1 0 304.346 3.397 20 5 DGBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254674 400364907 /nfs/dbraw/zinc/36/49/07/400364907.db2.gz WRJZNTSRBGOABT-AWEZNQCLSA-N 1 0 320.389 3.377 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000611261860 400368050 /nfs/dbraw/zinc/36/80/50/400368050.db2.gz NILRWRHVABHAKL-OMVNSRBRSA-N 1 0 312.373 3.211 20 5 DGBDRO C[C@H](Cc1cccs1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000071269759 400369390 /nfs/dbraw/zinc/36/93/90/400369390.db2.gz SIRICNNQYWHIKF-GFCCVEGCSA-N 1 0 306.387 3.256 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000611268079 400370008 /nfs/dbraw/zinc/37/00/08/400370008.db2.gz FTDLCLLBQHVGJB-UYZDIKGJSA-N 1 0 312.373 3.142 20 5 DGBDRO C[C@@H](CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000596428621 400413504 /nfs/dbraw/zinc/41/35/04/400413504.db2.gz FUJJXWYBLWIYKG-VIFPVBQESA-N 1 0 305.300 3.366 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000611516001 400413604 /nfs/dbraw/zinc/41/36/04/400413604.db2.gz YZTQXRBJHYUHIM-GOEBONIOSA-N 1 0 314.389 3.498 20 5 DGBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115521463 400399017 /nfs/dbraw/zinc/39/90/17/400399017.db2.gz VXTWQDKZJJFTKD-HUUCEWRRSA-N 1 0 321.421 3.144 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000602151007 400418429 /nfs/dbraw/zinc/41/84/29/400418429.db2.gz FOUBJQJSJKBNNZ-UHFFFAOYSA-N 1 0 307.394 3.128 20 5 DGBDRO CCC[N@@H+]1CC[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596518062 400435855 /nfs/dbraw/zinc/43/58/55/400435855.db2.gz UNZKHGARRWZMJV-ZDUSSCGKSA-N 1 0 300.362 3.039 20 5 DGBDRO CC(=O)c1ccc(N[C@@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000596487661 400427944 /nfs/dbraw/zinc/42/79/44/400427944.db2.gz JGASHXLUILDEMY-ZDUSSCGKSA-N 1 0 319.405 3.330 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596570687 400446354 /nfs/dbraw/zinc/44/63/54/400446354.db2.gz MTCBCVMLSUOGSQ-CQSZACIVSA-N 1 0 319.405 3.137 20 5 DGBDRO COc1cccc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596569707 400446368 /nfs/dbraw/zinc/44/63/68/400446368.db2.gz CRMKZFCRKJOLDR-CQSZACIVSA-N 1 0 319.405 3.137 20 5 DGBDRO CCCC(O)(CCC)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000119719241 400438902 /nfs/dbraw/zinc/43/89/02/400438902.db2.gz YXTQBUAMZMYCFO-UHFFFAOYSA-N 1 0 310.394 3.024 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000121074674 400451790 /nfs/dbraw/zinc/45/17/90/400451790.db2.gz LKTUENCDCUCMJJ-HZPDHXFCSA-N 1 0 304.390 3.374 20 5 DGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC000122340191 400460630 /nfs/dbraw/zinc/46/06/30/400460630.db2.gz ZGHLEPWJADGSGA-UHFFFAOYSA-N 1 0 319.386 3.117 20 5 DGBDRO O=C(NCCC[NH2+]C1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000073571493 400457661 /nfs/dbraw/zinc/45/76/61/400457661.db2.gz CTJJJYHSJBVOSI-UHFFFAOYSA-N 1 0 320.393 3.029 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602582642 400503985 /nfs/dbraw/zinc/50/39/85/400503985.db2.gz QUZXRRNLZQEXFR-XHDPSFHLSA-N 1 0 319.361 3.029 20 5 DGBDRO CCOCCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602581891 400504003 /nfs/dbraw/zinc/50/40/03/400504003.db2.gz LOWLSURSMZDMQC-UHFFFAOYSA-N 1 0 319.361 3.032 20 5 DGBDRO CC(C)C([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000591025296 400478307 /nfs/dbraw/zinc/47/83/07/400478307.db2.gz ZLGWPRWWUICJJR-UHFFFAOYSA-N 1 0 307.394 3.194 20 5 DGBDRO C[C@H](CCc1ccco1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602505909 400482915 /nfs/dbraw/zinc/48/29/15/400482915.db2.gz XCUGGUSBAQZPTC-LLVKDONJSA-N 1 0 315.329 3.440 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1CCCCC1 ZINC000043999759 400483004 /nfs/dbraw/zinc/48/30/04/400483004.db2.gz RAMJDQOWWFNFPX-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCCC1)CCCC2 ZINC000591347908 400512909 /nfs/dbraw/zinc/51/29/09/400512909.db2.gz ARVUZOLOZSXCHI-INIZCTEOSA-N 1 0 304.390 3.257 20 5 DGBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602556618 400495909 /nfs/dbraw/zinc/49/59/09/400495909.db2.gz TYVAMXXADXZILI-LBPRGKRZSA-N 1 0 320.311 3.110 20 5 DGBDRO CC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602566316 400498434 /nfs/dbraw/zinc/49/84/34/400498434.db2.gz XJQYUQUIUJGSHS-UHFFFAOYSA-N 1 0 305.197 3.309 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000602565029 400498802 /nfs/dbraw/zinc/49/88/02/400498802.db2.gz YYWTUTQYWDHUIB-YDHLFZDLSA-N 1 0 319.405 3.001 20 5 DGBDRO CC[C@H](Cc1ccccc1)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602782243 400571583 /nfs/dbraw/zinc/57/15/83/400571583.db2.gz LXEQSXNGFWUSKJ-MRXNPFEDSA-N 1 0 316.405 3.053 20 5 DGBDRO CC(C)C(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602629312 400516283 /nfs/dbraw/zinc/51/62/83/400516283.db2.gz MMVOAJCXNJIABD-UHFFFAOYSA-N 1 0 320.437 3.230 20 5 DGBDRO C[C@H]1CC(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000602653567 400524703 /nfs/dbraw/zinc/52/47/03/400524703.db2.gz OFAVTILAPHMYHM-KBPBESRZSA-N 1 0 306.406 3.321 20 5 DGBDRO Cc1cc(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591441722 400526584 /nfs/dbraw/zinc/52/65/84/400526584.db2.gz FUDLKAXCFQGOQI-GJZGRUSLSA-N 1 0 303.406 3.119 20 5 DGBDRO Cc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000074743842 400532273 /nfs/dbraw/zinc/53/22/73/400532273.db2.gz CYQNNKMZAZHKKW-INIZCTEOSA-N 1 0 314.389 3.321 20 5 DGBDRO COc1ccc(C[NH2+]C2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000130281708 400537060 /nfs/dbraw/zinc/53/70/60/400537060.db2.gz DDYNXIQPRLQVER-UHFFFAOYSA-N 1 0 322.405 3.429 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccns3)C2)cc1 ZINC000602685396 400538277 /nfs/dbraw/zinc/53/82/77/400538277.db2.gz NYQUFNVLELJRSA-ZDUSSCGKSA-N 1 0 303.387 3.431 20 5 DGBDRO C[C@H](CC(C)(C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602688954 400539387 /nfs/dbraw/zinc/53/93/87/400539387.db2.gz UHJHEGHOHBWQLO-CYBMUJFWSA-N 1 0 320.437 3.373 20 5 DGBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602692548 400540961 /nfs/dbraw/zinc/54/09/61/400540961.db2.gz XUUBGWCWBIRWKH-QLJPJBMISA-N 1 0 319.361 3.029 20 5 DGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@]23C[C@@H]2CCC3)cc1Br ZINC000602705332 400545588 /nfs/dbraw/zinc/54/55/88/400545588.db2.gz JLQZESJWOCMWCD-CPCISQLKSA-N 1 0 317.208 3.451 20 5 DGBDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602726453 400552820 /nfs/dbraw/zinc/55/28/20/400552820.db2.gz WRGZVUHKWFAXPG-LBPRGKRZSA-N 1 0 320.311 3.254 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000602807637 400580637 /nfs/dbraw/zinc/58/06/37/400580637.db2.gz ZHBDOWUJQKFSSJ-QGZVFWFLSA-N 1 0 314.389 3.149 20 5 DGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCOC(C)C ZINC000612574727 400567443 /nfs/dbraw/zinc/56/74/43/400567443.db2.gz BMLHHLYLASZWBB-CYBMUJFWSA-N 1 0 312.435 3.480 20 5 DGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000602767576 400569487 /nfs/dbraw/zinc/56/94/87/400569487.db2.gz IEXQZSOCSHJTFC-INIZCTEOSA-N 1 0 314.389 3.245 20 5 DGBDRO Cc1c(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000602997822 400624498 /nfs/dbraw/zinc/62/44/98/400624498.db2.gz ROTSBYGXVJPFFQ-OIISXLGYSA-N 1 0 304.390 3.029 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(C3CC3)CCC2)n1 ZINC000618572274 400627158 /nfs/dbraw/zinc/62/71/58/400627158.db2.gz FCUGNSKOXPEMEV-CABCVRRESA-N 1 0 318.421 3.445 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000618573912 400628048 /nfs/dbraw/zinc/62/80/48/400628048.db2.gz JIXSGBPBFUBGDJ-DXCKQFNASA-N 1 0 304.390 3.377 20 5 DGBDRO C/C(=C\c1ccccc1)C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602819765 400584448 /nfs/dbraw/zinc/58/44/48/400584448.db2.gz IJWKNLKJYNVKKH-SDNWHVSQSA-N 1 0 314.389 3.135 20 5 DGBDRO CC(C)c1ccc(C[N@H+](C)CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000597207267 400588283 /nfs/dbraw/zinc/58/82/83/400588283.db2.gz ZGAZOTDCPVOZIK-UHFFFAOYSA-N 1 0 304.390 3.497 20 5 DGBDRO CC[C@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592427656 400648024 /nfs/dbraw/zinc/64/80/24/400648024.db2.gz NNCJEYKMITWTQM-GOEBONIOSA-N 1 0 305.422 3.277 20 5 DGBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000592427199 400648110 /nfs/dbraw/zinc/64/81/10/400648110.db2.gz NYXRCAJZUQMINX-UHFFFAOYSA-N 1 0 317.345 3.282 20 5 DGBDRO CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592521246 400662734 /nfs/dbraw/zinc/66/27/34/400662734.db2.gz YEZSRMNEVTUWJN-IQIBNGDESA-N 1 0 303.406 3.024 20 5 DGBDRO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592521245 400662767 /nfs/dbraw/zinc/66/27/67/400662767.db2.gz YEZSRMNEVTUWJN-IOBAAEILSA-N 1 0 303.406 3.024 20 5 DGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000157711805 400720089 /nfs/dbraw/zinc/72/00/89/400720089.db2.gz JVZFLSIZQPVQHG-DZGCQCFKSA-N 1 0 303.406 3.038 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000603865099 400726094 /nfs/dbraw/zinc/72/60/94/400726094.db2.gz RMJXRTYJVORSOB-CALCHBBNSA-N 1 0 323.396 3.163 20 5 DGBDRO CCC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000052279850 400726645 /nfs/dbraw/zinc/72/66/45/400726645.db2.gz BAENHKDNXCYIGW-UHFFFAOYSA-N 1 0 306.362 3.083 20 5 DGBDRO COC[C@H]1CCCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000613548309 400746907 /nfs/dbraw/zinc/74/69/07/400746907.db2.gz JHQJXCWZMSMKFV-AJHXJQRKSA-N 1 0 304.390 3.357 20 5 DGBDRO Cc1cc(N2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000051400857 400701198 /nfs/dbraw/zinc/70/11/98/400701198.db2.gz IVMZOOXHRUXBNZ-UHFFFAOYSA-N 1 0 317.414 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000604408826 400773747 /nfs/dbraw/zinc/77/37/47/400773747.db2.gz WRDVAEUVLRMZQF-UHFFFAOYSA-N 1 0 303.387 3.127 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCCc3ccccc32)cc1 ZINC000604532630 400784673 /nfs/dbraw/zinc/78/46/73/400784673.db2.gz FUWLCEXVZMYMGA-UHFFFAOYSA-N 1 0 311.385 3.137 20 5 DGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000053580405 400792034 /nfs/dbraw/zinc/79/20/34/400792034.db2.gz QUGDLNITFXWOCS-ZFWWWQNUSA-N 1 0 312.373 3.237 20 5 DGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000053583459 400792798 /nfs/dbraw/zinc/79/27/98/400792798.db2.gz MNDKGIUPWCMOBF-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000078424915 400799085 /nfs/dbraw/zinc/79/90/85/400799085.db2.gz VJNBKLIZJOBOPE-CYBMUJFWSA-N 1 0 307.369 3.046 20 5 DGBDRO CN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000593518006 400870041 /nfs/dbraw/zinc/87/00/41/400870041.db2.gz WOHGAMQJXALRJF-UHFFFAOYSA-N 1 0 314.389 3.065 20 5 DGBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000054572292 400829322 /nfs/dbraw/zinc/82/93/22/400829322.db2.gz QIHZTXZVIFSYSJ-UHFFFAOYSA-N 1 0 317.320 3.048 20 5 DGBDRO CCC(=O)c1ccc(N[C@H](CC)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000619481828 400854834 /nfs/dbraw/zinc/85/48/34/400854834.db2.gz LFGYLIKKLNSPGS-CQSZACIVSA-N 1 0 319.405 3.474 20 5 DGBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCCO1 ZINC000599047413 400938626 /nfs/dbraw/zinc/93/86/26/400938626.db2.gz WATWYWDTBKBQMS-PXAZEXFGSA-N 1 0 317.389 3.166 20 5 DGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599051169 400939507 /nfs/dbraw/zinc/93/95/07/400939507.db2.gz GXGLRGHVTGVRHD-AWEZNQCLSA-N 1 0 314.389 3.064 20 5 DGBDRO CCC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OCC ZINC000599062380 400944888 /nfs/dbraw/zinc/94/48/88/400944888.db2.gz WWMFODPAPDDNHC-KFWWJZLASA-N 1 0 324.425 3.070 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000599062852 400945053 /nfs/dbraw/zinc/94/50/53/400945053.db2.gz VPOBUDASBSSWSZ-WCQYABFASA-N 1 0 312.373 3.180 20 5 DGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599085649 400955417 /nfs/dbraw/zinc/95/54/17/400955417.db2.gz UVKPAMABYOJUJM-GFCCVEGCSA-N 1 0 302.378 3.284 20 5 DGBDRO C[NH+](C)[C@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599073123 400950027 /nfs/dbraw/zinc/95/00/27/400950027.db2.gz LHGCFHFHOJKUIN-AWEZNQCLSA-N 1 0 314.389 3.064 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000079723822 400890610 /nfs/dbraw/zinc/89/06/10/400890610.db2.gz VDZMKHGOKFTMNN-GFCCVEGCSA-N 1 0 316.357 3.463 20 5 DGBDRO C[C@H](COCC1CC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000593682116 400891078 /nfs/dbraw/zinc/89/10/78/400891078.db2.gz MNWGYKBOYPOQSP-UONOGXRCSA-N 1 0 306.406 3.321 20 5 DGBDRO COCC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000619724359 400894349 /nfs/dbraw/zinc/89/43/49/400894349.db2.gz DFYKPRBNLORZKQ-INIZCTEOSA-N 1 0 304.390 3.379 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000619746267 400897589 /nfs/dbraw/zinc/89/75/89/400897589.db2.gz JIPAFCISEOAWOG-MNOVXSKESA-N 1 0 319.386 3.334 20 5 DGBDRO C[C@@H]([NH2+][C@H](C)c1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000619746266 400897641 /nfs/dbraw/zinc/89/76/41/400897641.db2.gz JIPAFCISEOAWOG-GHMZBOCLSA-N 1 0 319.386 3.334 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599074487 400952030 /nfs/dbraw/zinc/95/20/30/400952030.db2.gz MTZCLWIGNZOTLV-RVFOSREFSA-N 1 0 306.406 3.317 20 5 DGBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[C@H]2C[C@H]2C1 ZINC000599077970 400952452 /nfs/dbraw/zinc/95/24/52/400952452.db2.gz CFPANBDDMMUNNX-NMNMXBMNSA-N 1 0 318.421 3.301 20 5 DGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ncccc2[N+](=O)[O-])C1 ZINC000079927313 400907579 /nfs/dbraw/zinc/90/75/79/400907579.db2.gz LIKNUSDRCJUJQG-ZIAGYGMSSA-N 1 0 306.410 3.160 20 5 DGBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1C ZINC000194292917 400919548 /nfs/dbraw/zinc/91/95/48/400919548.db2.gz QTGUUTLZLXONAJ-UHFFFAOYSA-N 1 0 300.358 3.244 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000598993640 400922853 /nfs/dbraw/zinc/92/28/53/400922853.db2.gz ZBUYFKITYBBXOZ-GOSISDBHSA-N 1 0 317.433 3.400 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000598998853 400925791 /nfs/dbraw/zinc/92/57/91/400925791.db2.gz JAUAYYMUIGEQNZ-WVRJYTFGSA-N 1 0 315.417 3.215 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599006276 400925831 /nfs/dbraw/zinc/92/58/31/400925831.db2.gz FXAAWERGIUXWMK-PBHICJAKSA-N 1 0 304.390 3.375 20 5 DGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599032758 400933244 /nfs/dbraw/zinc/93/32/44/400933244.db2.gz WDARCWLGQNJXKG-CYBMUJFWSA-N 1 0 314.389 3.285 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3scnc32)c1 ZINC000599041104 400935213 /nfs/dbraw/zinc/93/52/13/400935213.db2.gz KMYNHESOUXPOCZ-ZDUSSCGKSA-N 1 0 303.387 3.261 20 5 DGBDRO CC(=O)c1cc(NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599163552 400981650 /nfs/dbraw/zinc/98/16/50/400981650.db2.gz DFWINHDLAZOPEA-HNNXBMFYSA-N 1 0 317.389 3.226 20 5 DGBDRO CCOc1cc(NC[C@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000080763323 400987316 /nfs/dbraw/zinc/98/73/16/400987316.db2.gz LETXQORXLABNHM-CQSZACIVSA-N 1 0 319.361 3.301 20 5 DGBDRO CO[C@H]1C[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000599093538 400958834 /nfs/dbraw/zinc/95/88/34/400958834.db2.gz YVSYWABJAAZHSB-GHJWDPDVSA-N 1 0 304.390 3.332 20 5 DGBDRO Cc1cnc(NC[C@H]2CC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599128343 400970097 /nfs/dbraw/zinc/97/00/97/400970097.db2.gz XTWMTZJGIZVBNF-CQSZACIVSA-N 1 0 304.394 3.117 20 5 DGBDRO C[C@H](CCNc1ccc([N+](=O)[O-])nc1)[N@H+](C)Cc1ccccc1 ZINC000080671625 400977619 /nfs/dbraw/zinc/97/76/19/400977619.db2.gz MBAMLSOCMRVBDO-CQSZACIVSA-N 1 0 314.389 3.312 20 5 DGBDRO CC[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCC1 ZINC000594493842 401077927 /nfs/dbraw/zinc/07/79/27/401077927.db2.gz NJXFDILRPXPGAQ-CZUORRHYSA-N 1 0 303.406 3.046 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1 ZINC000594496868 401079894 /nfs/dbraw/zinc/07/98/94/401079894.db2.gz XZCKJQMIJNXVBJ-HOTGVXAUSA-N 1 0 304.390 3.377 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000249032774 401080680 /nfs/dbraw/zinc/08/06/80/401080680.db2.gz RMQKTGZNDJOWBR-DFHBCGBQSA-N 1 0 315.417 3.187 20 5 DGBDRO CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000060089763 401101206 /nfs/dbraw/zinc/10/12/06/401101206.db2.gz MFVGBVBPAKARCZ-AWEZNQCLSA-N 1 0 319.405 3.496 20 5 DGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC2(CC2)CC1 ZINC000599672149 401108393 /nfs/dbraw/zinc/10/83/93/401108393.db2.gz BFKXPQDCKGTLMG-ZDUSSCGKSA-N 1 0 317.389 3.188 20 5 DGBDRO COc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC000594601880 401126996 /nfs/dbraw/zinc/12/69/96/401126996.db2.gz PJEAWTDARIKTGQ-GXTWGEPZSA-N 1 0 323.368 3.171 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000615724264 401144089 /nfs/dbraw/zinc/14/40/89/401144089.db2.gz WPKAIMXUDWBJEF-DZXKJOIRSA-N 1 0 315.417 3.072 20 5 DGBDRO CC1(C)CCC[C@](CO)([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000599594474 401088394 /nfs/dbraw/zinc/08/83/94/401088394.db2.gz LRLFZBZWRJHNEJ-INIZCTEOSA-N 1 0 310.369 3.155 20 5 DGBDRO Cc1c(CN2CCc3nc(C4CC4)ncc3C2)cccc1[N+](=O)[O-] ZINC000599618978 401092202 /nfs/dbraw/zinc/09/22/02/401092202.db2.gz QSDITSYLDZUVAK-UHFFFAOYSA-N 1 0 324.384 3.129 20 5 DGBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000599622533 401094111 /nfs/dbraw/zinc/09/41/11/401094111.db2.gz JXUCPJXOKZXQOL-GFCCVEGCSA-N 1 0 314.332 3.483 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000594518210 401096070 /nfs/dbraw/zinc/09/60/70/401096070.db2.gz NBEGAGXYUMUQGO-QZCZHZTGSA-N 1 0 324.380 3.246 20 5 DGBDRO CO[C@]1(C)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280346358 401151541 /nfs/dbraw/zinc/15/15/41/401151541.db2.gz IRWZGDYPMPOIDS-QGZVFWFLSA-N 1 0 322.405 3.255 20 5 DGBDRO CC[N@@H+]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000615835316 401161469 /nfs/dbraw/zinc/16/14/69/401161469.db2.gz ISOVGUGJICBBAI-YVGNARHYSA-N 1 0 303.406 3.024 20 5 DGBDRO Cc1ccc([C@@H](C)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c(C)c1 ZINC000358269922 286017083 /nfs/dbraw/zinc/01/70/83/286017083.db2.gz DECKWRMAGXMGKZ-CQSZACIVSA-N 1 0 302.378 3.101 20 5 DGBDRO CCC(O)(CC)C[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000600215427 401224968 /nfs/dbraw/zinc/22/49/68/401224968.db2.gz KXJKOGJUGZFBPP-GXDHUFHOSA-N 1 0 306.406 3.481 20 5 DGBDRO CCCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000063616136 401203625 /nfs/dbraw/zinc/20/36/25/401203625.db2.gz SEQMTVZAGXFKAJ-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO COc1cc(C[NH2+][C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1O ZINC000594974139 401215742 /nfs/dbraw/zinc/21/57/42/401215742.db2.gz ZYGYJECCKXJVSA-CQSZACIVSA-N 1 0 314.341 3.086 20 5 DGBDRO C[C@@H](CN1CCC(C)CC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000594978902 401218561 /nfs/dbraw/zinc/21/85/61/401218561.db2.gz CTMUMJWCZJQZMK-WRLNGNIRSA-N 1 0 317.433 3.318 20 5 DGBDRO Cn1cc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000594987158 401220973 /nfs/dbraw/zinc/22/09/73/401220973.db2.gz WXCUCXBGSSXPNX-UHFFFAOYSA-N 1 0 315.398 3.480 20 5 DGBDRO COc1cccc([C@@H](CNc2ccsc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000063256195 401184509 /nfs/dbraw/zinc/18/45/09/401184509.db2.gz SPNQHFITLKWVAL-CQSZACIVSA-N 1 0 321.402 3.380 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](CC(C)C)[NH+](C)C ZINC000595005947 401227055 /nfs/dbraw/zinc/22/70/55/401227055.db2.gz CBTRJONRLKXPOU-DZGCQCFKSA-N 1 0 323.437 3.230 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000595009101 401229727 /nfs/dbraw/zinc/22/97/27/401229727.db2.gz CBPIVGPZXYUVPE-FRRDWIJNSA-N 1 0 308.378 3.069 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000595010654 401229993 /nfs/dbraw/zinc/22/99/93/401229993.db2.gz WBAHNQGADZBIDB-ZDUSSCGKSA-N 1 0 322.405 3.339 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000595012696 401231436 /nfs/dbraw/zinc/23/14/36/401231436.db2.gz NRBSJZSRBBNMFR-CHWSQXEVSA-N 1 0 315.373 3.453 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000595014223 401232118 /nfs/dbraw/zinc/23/21/18/401232118.db2.gz VBRNUUHAUIWZDW-AFAVFJNCSA-N 1 0 322.405 3.195 20 5 DGBDRO COCCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000595018364 401234370 /nfs/dbraw/zinc/23/43/70/401234370.db2.gz MZJIJTIQDFDKCM-ZDUSSCGKSA-N 1 0 322.405 3.461 20 5 DGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000065208714 401261332 /nfs/dbraw/zinc/26/13/32/401261332.db2.gz BDAOZQJQYFTRLN-UHFFFAOYSA-N 1 0 304.321 3.245 20 5 DGBDRO CC[C@H]([NH2+]CCNc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000358395793 286050306 /nfs/dbraw/zinc/05/03/06/286050306.db2.gz IMUVPTMFZNJZSN-INIZCTEOSA-N 1 0 314.389 3.451 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)C(F)(F)F ZINC000359142166 286247143 /nfs/dbraw/zinc/24/71/43/286247143.db2.gz ZAGUABKRGQMUGL-VIFPVBQESA-N 1 0 306.284 3.282 20 5 DGBDRO CCc1cnccc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000361118471 286601530 /nfs/dbraw/zinc/60/15/30/286601530.db2.gz BTJMPTSQJZREDN-ZDUSSCGKSA-N 1 0 315.373 3.282 20 5 DGBDRO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317748 286714049 /nfs/dbraw/zinc/71/40/49/286714049.db2.gz XGHOCODTQKOEBY-KNXALSJPSA-N 1 0 324.446 3.064 20 5 DGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413113965 533677515 /nfs/dbraw/zinc/67/75/15/533677515.db2.gz LMELYMBVKIPZRN-LLVKDONJSA-N 1 0 310.373 3.051 20 5 DGBDRO Cc1cc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc[nH+]1 ZINC000362661091 286846344 /nfs/dbraw/zinc/84/63/44/286846344.db2.gz CLWRHMFDWWLNKX-UHFFFAOYSA-N 1 0 311.263 3.351 20 5 DGBDRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000237686380 165438021 /nfs/dbraw/zinc/43/80/21/165438021.db2.gz RENYUHGTQYPMQY-UHFFFAOYSA-N 1 0 312.329 3.176 20 5 DGBDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000365853499 287180824 /nfs/dbraw/zinc/18/08/24/287180824.db2.gz NKLMRSCQQIWXRL-UKRRQHHQSA-N 1 0 314.389 3.015 20 5 DGBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129100142 196019193 /nfs/dbraw/zinc/01/91/93/196019193.db2.gz QJVFIFZJCGUZOK-HIFRSBDPSA-N 1 0 323.824 3.164 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000171680157 432160224 /nfs/dbraw/zinc/16/02/24/432160224.db2.gz BCFIEYTZZOACKZ-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000171680168 432160238 /nfs/dbraw/zinc/16/02/38/432160238.db2.gz XHRJIKAUXAKQBK-UHFFFAOYSA-N 1 0 305.378 3.106 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182215614 432166328 /nfs/dbraw/zinc/16/63/28/432166328.db2.gz IDJOXALQGQSEKX-LBPRGKRZSA-N 1 0 311.813 3.022 20 5 DGBDRO C[C@H](c1ccccc1F)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136958560 432166793 /nfs/dbraw/zinc/16/67/93/432166793.db2.gz LOFYOUHKLYMPOB-PXAZEXFGSA-N 1 0 318.348 3.460 20 5 DGBDRO C[C@@H](c1cccs1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269671939 432195334 /nfs/dbraw/zinc/19/53/34/432195334.db2.gz OBZHBJJQJCDITN-FZMZJTMJSA-N 1 0 306.387 3.383 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCc3ccccc3C2)c1 ZINC000269666324 432196144 /nfs/dbraw/zinc/19/61/44/432196144.db2.gz SEOPBMZPHZPRDT-GOSISDBHSA-N 1 0 312.369 3.077 20 5 DGBDRO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269687476 432196612 /nfs/dbraw/zinc/19/66/12/432196612.db2.gz TYPBNEBTLXALBS-MRXNPFEDSA-N 1 0 322.311 3.038 20 5 DGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000247166717 432207873 /nfs/dbraw/zinc/20/78/73/432207873.db2.gz UKVGOHOFXIBDSJ-ILXRZTDVSA-N 1 0 305.422 3.366 20 5 DGBDRO C[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000151035565 432213402 /nfs/dbraw/zinc/21/34/02/432213402.db2.gz JOHQDYOMYJYBTE-OAHLLOKOSA-N 1 0 313.401 3.377 20 5 DGBDRO CO[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000191138822 432225802 /nfs/dbraw/zinc/22/58/02/432225802.db2.gz QTBVIRJYCXVFMO-LLVKDONJSA-N 1 0 306.387 3.448 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000269949261 432225850 /nfs/dbraw/zinc/22/58/50/432225850.db2.gz GUSSAELDFIGRHR-ARFHVFGLSA-N 1 0 302.374 3.032 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000132550985 196264394 /nfs/dbraw/zinc/26/43/94/196264394.db2.gz YRLQBDQDNGNOEU-AAEUAGOBSA-N 1 0 312.460 3.402 20 5 DGBDRO COc1cccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c1 ZINC000271641317 209085427 /nfs/dbraw/zinc/08/54/27/209085427.db2.gz HGJAUKHCMIGACB-ZDUSSCGKSA-N 1 0 316.357 3.333 20 5 DGBDRO CC[C@H]([NH2+]Cc1c[nH]c2nccnc12)c1cccc([N+](=O)[O-])c1 ZINC000290976171 222043743 /nfs/dbraw/zinc/04/37/43/222043743.db2.gz XZYLULTWWIJQHV-AWEZNQCLSA-N 1 0 311.345 3.107 20 5 DGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H]1SC ZINC000291388654 222358620 /nfs/dbraw/zinc/35/86/20/222358620.db2.gz CFEIVTOFWPLOOW-JMGFVUJMSA-N 1 0 324.446 3.463 20 5 DGBDRO Cc1cc(NC[C@@](C)(O)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181503799 228362423 /nfs/dbraw/zinc/36/24/23/228362423.db2.gz RIQMGDNKQUBHBQ-MRXNPFEDSA-N 1 0 303.362 3.270 20 5 DGBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000181685755 228364335 /nfs/dbraw/zinc/36/43/35/228364335.db2.gz FPNDKEFBWDYSPJ-MRXNPFEDSA-N 1 0 300.358 3.381 20 5 DGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000301123047 229514425 /nfs/dbraw/zinc/51/44/25/229514425.db2.gz MYEYAZONNRVWCI-WBMJQRKESA-N 1 0 306.410 3.221 20 5 DGBDRO Cc1cc(N(C)Cc2ccccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302131230 230110708 /nfs/dbraw/zinc/11/07/08/230110708.db2.gz BZMQAQQXWXZYJJ-UHFFFAOYSA-N 1 0 308.341 3.483 20 5 DGBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000189994409 263730799 /nfs/dbraw/zinc/73/07/99/263730799.db2.gz RALWIVGDYZLAHD-RYUDHWBXSA-N 1 0 323.393 3.159 20 5 DGBDRO COc1ccc(OCC[NH2+][C@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191861923 263768207 /nfs/dbraw/zinc/76/82/07/263768207.db2.gz NNMVGUZBMWKYKT-HNNXBMFYSA-N 1 0 308.378 3.151 20 5 DGBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000346298652 264004811 /nfs/dbraw/zinc/00/48/11/264004811.db2.gz AIPBWCKTXVRGQU-UHFFFAOYSA-N 1 0 304.346 3.477 20 5 DGBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000346687449 264079403 /nfs/dbraw/zinc/07/94/03/264079403.db2.gz VVUBLFXVCAGUQL-QWHCGFSZSA-N 1 0 315.373 3.037 20 5 DGBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000347683478 264266482 /nfs/dbraw/zinc/26/64/82/264266482.db2.gz DUWHJVZXRCALCW-CHWSQXEVSA-N 1 0 319.405 3.338 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC34CCC4)o2)c1 ZINC000348303102 264385278 /nfs/dbraw/zinc/38/52/78/264385278.db2.gz CRHZCOLNZRWANU-UHFFFAOYSA-N 1 0 313.357 3.421 20 5 DGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000350239768 264597009 /nfs/dbraw/zinc/59/70/09/264597009.db2.gz KBRBVUMWASJCTI-KFWWJZLASA-N 1 0 303.406 3.436 20 5 DGBDRO CC(C)N(CC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000351307263 264693700 /nfs/dbraw/zinc/69/37/00/264693700.db2.gz UALKFGHBTTYNHD-UHFFFAOYSA-N 1 0 305.422 3.291 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000352362530 265016569 /nfs/dbraw/zinc/01/65/69/265016569.db2.gz VYQLZVFRVKREQL-GJZGRUSLSA-N 1 0 312.373 3.182 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352405388 265035335 /nfs/dbraw/zinc/03/53/35/265035335.db2.gz ACDDUELSRWRXCP-LBPRGKRZSA-N 1 0 322.409 3.145 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C2CCC2)CC1 ZINC000352423531 265045127 /nfs/dbraw/zinc/04/51/27/265045127.db2.gz BHZFYMPDVPANGM-CQSZACIVSA-N 1 0 303.406 3.134 20 5 DGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc([N+](=O)[O-])cc1F ZINC000352609981 265103859 /nfs/dbraw/zinc/10/38/59/265103859.db2.gz XZTNJZNDIKZOCD-AWEZNQCLSA-N 1 0 309.385 3.040 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000352613843 265105716 /nfs/dbraw/zinc/10/57/16/265105716.db2.gz ZIWOMVTZYJCASD-HUUCEWRRSA-N 1 0 310.369 3.369 20 5 DGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352618706 265107860 /nfs/dbraw/zinc/10/78/60/265107860.db2.gz SSLXIDAWJQAHEZ-JSGCOSHPSA-N 1 0 309.385 3.039 20 5 DGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352682948 265127677 /nfs/dbraw/zinc/12/76/77/265127677.db2.gz RTXREWVTWGYXGH-SQXIKUFJSA-N 1 0 322.792 3.103 20 5 DGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352682947 265128055 /nfs/dbraw/zinc/12/80/55/265128055.db2.gz RTXREWVTWGYXGH-DLFLCNGJSA-N 1 0 322.792 3.103 20 5 DGBDRO CC(C)c1ccc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000353011379 265264324 /nfs/dbraw/zinc/26/43/24/265264324.db2.gz WSAYKPFNFGQBPS-YJBOKZPZSA-N 1 0 317.433 3.244 20 5 DGBDRO CC[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OC ZINC000353154378 265320443 /nfs/dbraw/zinc/32/04/43/265320443.db2.gz OJHSGPMTUWLYTO-AWEZNQCLSA-N 1 0 304.346 3.369 20 5 DGBDRO CC[N@H+](CCC1CC1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000355508234 266097874 /nfs/dbraw/zinc/09/78/74/266097874.db2.gz KCLPSNNNJILKKS-UHFFFAOYSA-N 1 0 308.378 3.234 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000355508489 266097981 /nfs/dbraw/zinc/09/79/81/266097981.db2.gz KUZFPDZRNKWXKL-GFCCVEGCSA-N 1 0 322.405 3.480 20 5 DGBDRO CSC1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000356061117 266272292 /nfs/dbraw/zinc/27/22/92/266272292.db2.gz JRBUXAXGBQMIIX-UHFFFAOYSA-N 1 0 321.446 3.003 20 5 DGBDRO CSC1(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000356518059 266415445 /nfs/dbraw/zinc/41/54/45/266415445.db2.gz GOBDNSXYGBCQPA-UHFFFAOYSA-N 1 0 308.403 3.075 20 5 DGBDRO Cc1ccc(C)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000368473036 271162664 /nfs/dbraw/zinc/16/26/64/271162664.db2.gz CPXYSNFFFBMDTH-UHFFFAOYSA-N 1 0 314.389 3.245 20 5 DGBDRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000369139847 271245645 /nfs/dbraw/zinc/24/56/45/271245645.db2.gz LVBWLWODUUBIST-DZGCQCFKSA-N 1 0 314.389 3.144 20 5 DGBDRO CC1(C)[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCO[C@@H]21 ZINC000192893173 273592528 /nfs/dbraw/zinc/59/25/28/273592528.db2.gz QZJHRAUTEFFJOB-ORQFMDKSSA-N 1 0 316.401 3.375 20 5 DGBDRO C[NH+](C)[C@@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295104841 273807258 /nfs/dbraw/zinc/80/72/58/273807258.db2.gz UPKDCGPLTUAZRH-CQSZACIVSA-N 1 0 314.389 3.064 20 5 DGBDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000449285839 274317100 /nfs/dbraw/zinc/31/71/00/274317100.db2.gz SYPUCSGSKMKLBK-UHIISALHSA-N 1 0 302.378 3.385 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000437541700 275035202 /nfs/dbraw/zinc/03/52/02/275035202.db2.gz XMWMXJROHSYCJC-HZPDHXFCSA-N 1 0 306.431 3.497 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOCC1CC1)CCCC2 ZINC000417312349 275038321 /nfs/dbraw/zinc/03/83/21/275038321.db2.gz NLKIJALPLBOEDK-QGZVFWFLSA-N 1 0 304.390 3.379 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1Cc3ccccc3[C@@H]1O)CCC2 ZINC000192871190 275038639 /nfs/dbraw/zinc/03/86/39/275038639.db2.gz HSQKMYODWBHBTC-QYZOEREBSA-N 1 0 324.380 3.220 20 5 DGBDRO CC1(C)C[C@H]([NH2+]CCN2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433135060 275867622 /nfs/dbraw/zinc/86/76/22/275867622.db2.gz SPKUWIZFLWRHIY-INIZCTEOSA-N 1 0 303.406 3.003 20 5 DGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453340993 276003411 /nfs/dbraw/zinc/00/34/11/276003411.db2.gz HKIFHEXMHKXSLP-ZQDZILKHSA-N 1 0 306.410 3.157 20 5 DGBDRO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447532249 276157715 /nfs/dbraw/zinc/15/77/15/276157715.db2.gz VFSOZQJNNGINQB-SJLPKXTDSA-N 1 0 317.433 3.436 20 5 DGBDRO CCN1CCCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447532250 276161283 /nfs/dbraw/zinc/16/12/83/276161283.db2.gz VFSOZQJNNGINQB-WMZOPIPTSA-N 1 0 317.433 3.436 20 5 DGBDRO CCN1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175882 276187525 /nfs/dbraw/zinc/18/75/25/276187525.db2.gz NEFNFOLNYZZDIW-WMLDXEAASA-N 1 0 317.433 3.391 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000449543222 276588988 /nfs/dbraw/zinc/58/89/88/276588988.db2.gz NXOPOOCJAJIKPX-DARAHFNDSA-N 1 0 306.406 3.055 20 5 DGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000447809907 277041515 /nfs/dbraw/zinc/04/15/15/277041515.db2.gz DTRLYPYUOIMILK-OAHLLOKOSA-N 1 0 318.421 3.095 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000248395631 277109192 /nfs/dbraw/zinc/10/91/92/277109192.db2.gz GITJXBOQRUDAQV-GOSISDBHSA-N 1 0 311.385 3.084 20 5 DGBDRO C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000248402270 277109627 /nfs/dbraw/zinc/10/96/27/277109627.db2.gz MZRUUEKRKXNXTM-GOSISDBHSA-N 1 0 311.385 3.084 20 5 DGBDRO COC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433294643 277571207 /nfs/dbraw/zinc/57/12/07/277571207.db2.gz AEGPJVKTFPKCPZ-JKSUJKDBSA-N 1 0 304.390 3.332 20 5 DGBDRO CO[C@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000272792370 277739357 /nfs/dbraw/zinc/73/93/57/277739357.db2.gz CKGYLCXTQYLWAJ-ZDUSSCGKSA-N 1 0 301.346 3.067 20 5 DGBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000266227992 277937666 /nfs/dbraw/zinc/93/76/66/277937666.db2.gz IYASCNWLVCZALH-CQSZACIVSA-N 1 0 319.405 3.058 20 5 DGBDRO COc1cccc(N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000185453682 278015712 /nfs/dbraw/zinc/01/57/12/278015712.db2.gz LFPNBCOOBGJEKH-UHFFFAOYSA-N 1 0 319.405 3.058 20 5 DGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000183228481 278278635 /nfs/dbraw/zinc/27/86/35/278278635.db2.gz FGIIERVKRYLORS-KSYCFECVSA-N 1 0 302.374 3.203 20 5 DGBDRO C[C@@H]([NH3+])C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000261996694 278305188 /nfs/dbraw/zinc/30/51/88/278305188.db2.gz UPZXJOWRXSIRGH-SECBINFHSA-N 1 0 317.311 3.177 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178280560 278337170 /nfs/dbraw/zinc/33/71/70/278337170.db2.gz AEHFYUDJMAHMEP-CYBMUJFWSA-N 1 0 319.405 3.037 20 5 DGBDRO C[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297290884 278339939 /nfs/dbraw/zinc/33/99/39/278339939.db2.gz LWIJXGIALJEKGZ-GFCCVEGCSA-N 1 0 314.389 3.200 20 5 DGBDRO CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000424140455 288089985 /nfs/dbraw/zinc/08/99/85/288089985.db2.gz OGZBYKJWVWWPIA-GJZGRUSLSA-N 1 0 319.405 3.035 20 5 DGBDRO CCN1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175884 279336889 /nfs/dbraw/zinc/33/68/89/279336889.db2.gz NEFNFOLNYZZDIW-YOEHRIQHSA-N 1 0 317.433 3.391 20 5 DGBDRO CC[C@H]([NH2+]CCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000108943110 431158580 /nfs/dbraw/zinc/15/85/80/431158580.db2.gz LHQPQCDJMIMWPG-LBPRGKRZSA-N 1 0 306.284 3.214 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000108942950 431160471 /nfs/dbraw/zinc/16/04/71/431160471.db2.gz NJTASJDOQWCFIO-SNVBAGLBSA-N 1 0 306.284 3.133 20 5 DGBDRO CC1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000112702073 431298436 /nfs/dbraw/zinc/29/84/36/431298436.db2.gz KBAYINGFKXZOCA-UHFFFAOYSA-N 1 0 305.378 3.045 20 5 DGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])CC(C)C ZINC000112915548 431315660 /nfs/dbraw/zinc/31/56/60/431315660.db2.gz GKNDQAHWKCEAOF-CQSZACIVSA-N 1 0 321.421 3.081 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH+](CC2CC2)CC2CC2)c2c(c1)COCO2 ZINC000115565063 431459685 /nfs/dbraw/zinc/45/96/85/431459685.db2.gz UOWOOJPURPROAM-UHFFFAOYSA-N 1 0 318.373 3.083 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1cccs1 ZINC000075966148 431508579 /nfs/dbraw/zinc/50/85/79/431508579.db2.gz MHQTZWDELLJBKS-UHFFFAOYSA-N 1 0 306.387 3.339 20 5 DGBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000076004399 431514645 /nfs/dbraw/zinc/51/46/45/431514645.db2.gz UPNMTKABHCNLIW-HNNXBMFYSA-N 1 0 305.422 3.067 20 5 DGBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000014183658 431582201 /nfs/dbraw/zinc/58/22/01/431582201.db2.gz GJDZEXGSTOFGSS-TXEJJXNPSA-N 1 0 316.361 3.123 20 5 DGBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000026469763 431675588 /nfs/dbraw/zinc/67/55/88/431675588.db2.gz OTOKBEQAUUECMH-DOMZBBRYSA-N 1 0 320.389 3.472 20 5 DGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000119404965 431688227 /nfs/dbraw/zinc/68/82/27/431688227.db2.gz CXBAJPPPKJUTFJ-AMXDTQDGSA-N 1 0 318.398 3.183 20 5 DGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000119405226 431689318 /nfs/dbraw/zinc/68/93/18/431689318.db2.gz CXBAJPPPKJUTFJ-YTEVENLXSA-N 1 0 318.398 3.183 20 5 DGBDRO C[N@H+](CCCCCCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000078686015 431698006 /nfs/dbraw/zinc/69/80/06/431698006.db2.gz QMENABUGEAIMHX-UHFFFAOYSA-N 1 0 300.786 3.233 20 5 DGBDRO CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000030142381 431732763 /nfs/dbraw/zinc/73/27/63/431732763.db2.gz VMAGBKRKNDDZPG-GFCCVEGCSA-N 1 0 316.361 3.267 20 5 DGBDRO CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000030144599 431732905 /nfs/dbraw/zinc/73/29/05/431732905.db2.gz KJJIWQQERWLZRB-CQSZACIVSA-N 1 0 319.405 3.354 20 5 DGBDRO Cc1ccccc1OCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000034006787 431817076 /nfs/dbraw/zinc/81/70/76/431817076.db2.gz WYXXDHATCFEVGB-UHFFFAOYSA-N 1 0 314.385 3.457 20 5 DGBDRO CN(C)[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccs1 ZINC000037562637 431847814 /nfs/dbraw/zinc/84/78/14/431847814.db2.gz BRQQNSSYGZNFIS-LLVKDONJSA-N 1 0 311.432 3.110 20 5 DGBDRO CC[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089909376 431884412 /nfs/dbraw/zinc/88/44/12/431884412.db2.gz DRYPWNRHZHEBNG-LBPRGKRZSA-N 1 0 301.346 3.482 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000090850992 431896881 /nfs/dbraw/zinc/89/68/81/431896881.db2.gz RVHPXWLXLFDIGX-CYBMUJFWSA-N 1 0 314.389 3.215 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000124827327 431905768 /nfs/dbraw/zinc/90/57/68/431905768.db2.gz RUZQNQXFEXQRQB-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000124840498 431905865 /nfs/dbraw/zinc/90/58/65/431905865.db2.gz CRPIMRFOXSEQFP-PXAZEXFGSA-N 1 0 318.348 3.427 20 5 DGBDRO CC(C)c1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000091899424 431906407 /nfs/dbraw/zinc/90/64/07/431906407.db2.gz WSUWIYWDBGPOSP-PBHICJAKSA-N 1 0 306.406 3.311 20 5 DGBDRO COc1cc(C[N@H+](C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])cc1OC ZINC000091900574 431906948 /nfs/dbraw/zinc/90/69/48/431906948.db2.gz BYIXWOXEFDDKEC-NSHDSACASA-N 1 0 308.378 3.232 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000127512078 431974512 /nfs/dbraw/zinc/97/45/12/431974512.db2.gz QKKRRGZIVJOEHC-WDEREUQCSA-N 1 0 306.387 3.355 20 5 DGBDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127665756 431977436 /nfs/dbraw/zinc/97/74/36/431977436.db2.gz XFKDZJVWJHPAKY-GFCCVEGCSA-N 1 0 304.346 3.058 20 5 DGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000049182612 431937624 /nfs/dbraw/zinc/93/76/24/431937624.db2.gz KQPWAVKWFJFCLZ-LLVKDONJSA-N 1 0 306.387 3.386 20 5 DGBDRO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125944181 431938639 /nfs/dbraw/zinc/93/86/39/431938639.db2.gz CICTXUUEQORAOA-GJZGRUSLSA-N 1 0 305.422 3.366 20 5 DGBDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000183228536 432271189 /nfs/dbraw/zinc/27/11/89/432271189.db2.gz FGIIERVKRYLORS-MEYUZBJRSA-N 1 0 302.374 3.203 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccccc1CO ZINC000151792303 432277281 /nfs/dbraw/zinc/27/72/81/432277281.db2.gz ZIGAAQDBXGPXDX-ZDUSSCGKSA-N 1 0 300.358 3.246 20 5 DGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000191581835 432279124 /nfs/dbraw/zinc/27/91/24/432279124.db2.gz VOYFMLDOLFAROJ-PBHICJAKSA-N 1 0 314.385 3.157 20 5 DGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCC[C@H]1O ZINC000248405684 432286192 /nfs/dbraw/zinc/28/61/92/432286192.db2.gz ATTWOMBNNJKKNO-SWLSCSKDSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC000248436251 432291156 /nfs/dbraw/zinc/29/11/56/432291156.db2.gz RZGGCDHYACOTKB-SWLSCSKDSA-N 1 0 310.781 3.249 20 5 DGBDRO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000128748713 432000246 /nfs/dbraw/zinc/00/02/46/432000246.db2.gz JPILNUOLTDKAMW-ZDUSSCGKSA-N 1 0 319.405 3.084 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000174191598 432328076 /nfs/dbraw/zinc/32/80/76/432328076.db2.gz BBQTZGSWBMRLHD-CQSZACIVSA-N 1 0 319.405 3.210 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCOCC2CC2)cc1[N+](=O)[O-] ZINC000271167102 432342209 /nfs/dbraw/zinc/34/22/09/432342209.db2.gz SXYVRORNKCAAHV-CYBMUJFWSA-N 1 0 322.405 3.461 20 5 DGBDRO C[C@@H](C[N@H+](C)CCOc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183983236 432342634 /nfs/dbraw/zinc/34/26/34/432342634.db2.gz XVVMPGKQFFWAOP-LBPRGKRZSA-N 1 0 321.402 3.166 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000152779206 432355626 /nfs/dbraw/zinc/35/56/26/432355626.db2.gz WOSYTPUCFXZYSB-CQSZACIVSA-N 1 0 321.421 3.130 20 5 DGBDRO CC[C@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H]1O ZINC000270932692 432305431 /nfs/dbraw/zinc/30/54/31/432305431.db2.gz QJTLJEOQOUCSGF-GUYCJALGSA-N 1 0 323.392 3.149 20 5 DGBDRO Cc1nccn1CCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271004695 432313979 /nfs/dbraw/zinc/31/39/79/432313979.db2.gz KXVIMJYSQOFDSQ-CYBMUJFWSA-N 1 0 302.378 3.183 20 5 DGBDRO COc1cccc2c1CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000192445129 432375607 /nfs/dbraw/zinc/37/56/07/432375607.db2.gz RCJIKRZQSUNSEH-HNNXBMFYSA-N 1 0 312.369 3.251 20 5 DGBDRO C[N@H+](CCc1ccccn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000153008719 432375665 /nfs/dbraw/zinc/37/56/65/432375665.db2.gz VDKNGZMYSAHYQR-UHFFFAOYSA-N 1 0 305.765 3.318 20 5 DGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000174921802 432380616 /nfs/dbraw/zinc/38/06/16/432380616.db2.gz LRFJXDVLIMWGGM-CHWSQXEVSA-N 1 0 314.389 3.428 20 5 DGBDRO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192648592 432396274 /nfs/dbraw/zinc/39/62/74/432396274.db2.gz REGZGKWMGVGJKU-QGZVFWFLSA-N 1 0 314.389 3.226 20 5 DGBDRO CCC[C@@H]([NH2+]CCCc1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000271462417 432400335 /nfs/dbraw/zinc/40/03/35/432400335.db2.gz KHQIGTDNDQTBHJ-OAHLLOKOSA-N 1 0 318.377 3.350 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000271468670 432401597 /nfs/dbraw/zinc/40/15/97/432401597.db2.gz LJBWZLFPAGWEKR-LRDDRELGSA-N 1 0 318.348 3.427 20 5 DGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1O ZINC000250131377 432365371 /nfs/dbraw/zinc/36/53/71/432365371.db2.gz XEXMEHOSGSGYLB-BLLLJJGKSA-N 1 0 316.357 3.058 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000192377972 432366244 /nfs/dbraw/zinc/36/62/44/432366244.db2.gz MIIVALIMGZMVSS-WMZOPIPTSA-N 1 0 312.369 3.462 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)CCC2 ZINC000192954374 432434134 /nfs/dbraw/zinc/43/41/34/432434134.db2.gz RCLUIPRYOGXBMU-SUYBPPKGSA-N 1 0 304.390 3.113 20 5 DGBDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000193233892 432459473 /nfs/dbraw/zinc/45/94/73/432459473.db2.gz VRKWQIRDBOYMCG-LBPRGKRZSA-N 1 0 314.341 3.217 20 5 DGBDRO Cc1noc(C)c1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000153912786 432455101 /nfs/dbraw/zinc/45/51/01/432455101.db2.gz KNTAAPMFDPQHRO-MRXNPFEDSA-N 1 0 315.373 3.311 20 5 DGBDRO Cc1noc(C)c1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000153912672 432455927 /nfs/dbraw/zinc/45/59/27/432455927.db2.gz KNTAAPMFDPQHRO-INIZCTEOSA-N 1 0 315.373 3.311 20 5 DGBDRO CCN(CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000192803325 432417433 /nfs/dbraw/zinc/41/74/33/432417433.db2.gz SAOJTHZSDRUAFP-QGZVFWFLSA-N 1 0 303.406 3.046 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)CCC2 ZINC000192894668 432425421 /nfs/dbraw/zinc/42/54/21/432425421.db2.gz HSTHMORVWHFQIG-ISTRZQFTSA-N 1 0 304.390 3.113 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccn(C)c2)cc1[N+](=O)[O-] ZINC000154122049 432474066 /nfs/dbraw/zinc/47/40/66/432474066.db2.gz YSNWJVUPQVCCIM-GFCCVEGCSA-N 1 0 303.362 3.183 20 5 DGBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262442079 432486102 /nfs/dbraw/zinc/48/61/02/432486102.db2.gz GVNKUWSXUOSECP-CQSZACIVSA-N 1 0 301.321 3.033 20 5 DGBDRO C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000185347645 432492155 /nfs/dbraw/zinc/49/21/55/432492155.db2.gz AQIHUQKILDFEND-CYBMUJFWSA-N 1 0 319.405 3.071 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000272397682 432493856 /nfs/dbraw/zinc/49/38/56/432493856.db2.gz DLULFEAXCVYNOE-QGZVFWFLSA-N 1 0 300.358 3.328 20 5 DGBDRO C[N@H+](CCSc1ncccc1[N+](=O)[O-])Cc1ccccc1 ZINC000193744179 432495177 /nfs/dbraw/zinc/49/51/77/432495177.db2.gz INSNYVOOXQBPFN-UHFFFAOYSA-N 1 0 303.387 3.214 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccc(O)c1)C1CC1 ZINC000154397502 432496665 /nfs/dbraw/zinc/49/66/65/432496665.db2.gz OAHPUNANXZRBPQ-QGZVFWFLSA-N 1 0 312.369 3.411 20 5 DGBDRO C[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000185113345 432469051 /nfs/dbraw/zinc/46/90/51/432469051.db2.gz ACCGCFMFGHKKTL-MRXNPFEDSA-N 1 0 320.776 3.246 20 5 DGBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000273120717 432553742 /nfs/dbraw/zinc/55/37/42/432553742.db2.gz ZHNWMLVUFYYPGK-LSDHHAIUSA-N 1 0 310.781 3.295 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(Cl)c1 ZINC000273140831 432557150 /nfs/dbraw/zinc/55/71/50/432557150.db2.gz DXJHYTKOGRFKFX-NWANDNLSSA-N 1 0 322.792 3.295 20 5 DGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185611040 432515553 /nfs/dbraw/zinc/51/55/53/432515553.db2.gz JKTHOIUMUNZHNB-XHDPSFHLSA-N 1 0 306.362 3.082 20 5 DGBDRO COc1cccc(N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000185654097 432520631 /nfs/dbraw/zinc/52/06/31/432520631.db2.gz GUIYQUVRUHUXLY-UHFFFAOYSA-N 1 0 321.421 3.162 20 5 DGBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000194631296 432564280 /nfs/dbraw/zinc/56/42/80/432564280.db2.gz PWYQQYCFIVVZJP-MRXNPFEDSA-N 1 0 318.373 3.351 20 5 DGBDRO C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000185676216 432522760 /nfs/dbraw/zinc/52/27/60/432522760.db2.gz IWDNEHLHLCVRNJ-MLGOLLRUSA-N 1 0 319.430 3.437 20 5 DGBDRO COC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000272575531 432525911 /nfs/dbraw/zinc/52/59/11/432525911.db2.gz GDLBKITYWLZKGK-CYBMUJFWSA-N 1 0 300.786 3.051 20 5 DGBDRO COCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000273212733 432566263 /nfs/dbraw/zinc/56/62/63/432566263.db2.gz BYFVQHXRJOTMAD-AWEZNQCLSA-N 1 0 304.346 3.364 20 5 DGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000194861802 432581991 /nfs/dbraw/zinc/58/19/91/432581991.db2.gz BRUSRZKPAONPOA-KRWDZBQOSA-N 1 0 320.389 3.006 20 5 DGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000186395109 432591469 /nfs/dbraw/zinc/59/14/69/432591469.db2.gz UUFAZYDFOMDFFE-RHSMWYFYSA-N 1 0 322.405 3.157 20 5 DGBDRO CCC(C)(C)OCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453404104 282032301 /nfs/dbraw/zinc/03/23/01/282032301.db2.gz HQVPXLMMYQDMFW-UONOGXRCSA-N 1 0 324.425 3.070 20 5 DGBDRO CC(C)(O)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000274771237 432707157 /nfs/dbraw/zinc/70/71/57/432707157.db2.gz HOGCGNGNNAXHKU-HIFRSBDPSA-N 1 0 306.406 3.057 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCc1nccs1 ZINC000265737693 432726379 /nfs/dbraw/zinc/72/63/79/432726379.db2.gz DBGBOJYRPQMMMQ-UHFFFAOYSA-N 1 0 311.794 3.427 20 5 DGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000227687664 432713073 /nfs/dbraw/zinc/71/30/73/432713073.db2.gz FLRZKQMXVCSDNN-NEPJUHHUSA-N 1 0 323.393 3.159 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000177992886 432684093 /nfs/dbraw/zinc/68/40/93/432684093.db2.gz DEVOATOBVIVDKA-ABAIWWIYSA-N 1 0 310.781 3.249 20 5 DGBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160976455 432752274 /nfs/dbraw/zinc/75/22/74/432752274.db2.gz CJGLKDFCMJKGEY-UHFFFAOYSA-N 1 0 305.300 3.414 20 5 DGBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000178757037 432774777 /nfs/dbraw/zinc/77/47/77/432774777.db2.gz ZBOXKDAJAOUGGW-GFCCVEGCSA-N 1 0 308.378 3.286 20 5 DGBDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000134469201 292670110 /nfs/dbraw/zinc/67/01/10/292670110.db2.gz RIHRBFKCNLYLGM-KRWDZBQOSA-N 1 0 318.373 3.496 20 5 DGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000233991669 432737769 /nfs/dbraw/zinc/73/77/69/432737769.db2.gz BFAUYKQOHXTFJG-SWLSCSKDSA-N 1 0 310.419 3.367 20 5 DGBDRO Cc1cc(NC[C@@H](C)[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000235456138 432743093 /nfs/dbraw/zinc/74/30/93/432743093.db2.gz RQSPDDIKIYJEHQ-SECBINFHSA-N 1 0 316.199 3.028 20 5 DGBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000267170342 432819061 /nfs/dbraw/zinc/81/90/61/432819061.db2.gz HYCHPDCJZYWHFR-XPTSAGLGSA-N 1 0 310.350 3.007 20 5 DGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCCSC2)c1 ZINC000267231205 432824553 /nfs/dbraw/zinc/82/45/53/432824553.db2.gz VUBCYNMNDRBXEV-JTQLQIEISA-N 1 0 318.345 3.181 20 5 DGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245455113 432832999 /nfs/dbraw/zinc/83/29/99/432832999.db2.gz HUHWILZLTOHHGR-ILXRZTDVSA-N 1 0 305.422 3.366 20 5 DGBDRO CC(C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245493703 432836570 /nfs/dbraw/zinc/83/65/70/432836570.db2.gz MAYYXNFPFDTYKU-ZIAGYGMSSA-N 1 0 319.405 3.290 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000266872748 432792756 /nfs/dbraw/zinc/79/27/56/432792756.db2.gz NLUJCMKVFXQIQK-VHSXEESVSA-N 1 0 306.284 3.213 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCOC3)s2)cc1 ZINC000178995899 432793918 /nfs/dbraw/zinc/79/39/18/432793918.db2.gz DJMCJLNBTGHDQB-GFCCVEGCSA-N 1 0 304.371 3.202 20 5 DGBDRO CCC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267015912 432806771 /nfs/dbraw/zinc/80/67/71/432806771.db2.gz OSSMYSOIBCQTJI-UHFFFAOYSA-N 1 0 309.385 3.040 20 5 DGBDRO C[C@@H](c1ccccc1)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000267048350 432809602 /nfs/dbraw/zinc/80/96/02/432809602.db2.gz FTISQBDEEQOYHL-ZDUSSCGKSA-N 1 0 300.362 3.017 20 5 DGBDRO C[C@H](c1ccccc1)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000267048345 432809774 /nfs/dbraw/zinc/80/97/74/432809774.db2.gz FTISQBDEEQOYHL-CYBMUJFWSA-N 1 0 300.362 3.017 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245917701 432870454 /nfs/dbraw/zinc/87/04/54/432870454.db2.gz NKFANDNQQBTCIX-STQMWFEESA-N 1 0 319.405 3.210 20 5 DGBDRO C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000246024956 432874760 /nfs/dbraw/zinc/87/47/60/432874760.db2.gz KUAJCQXMJJUJIR-HZSPNIEDSA-N 1 0 319.405 3.035 20 5 DGBDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163107104 432844007 /nfs/dbraw/zinc/84/40/07/432844007.db2.gz QQSMTRCHXGKRJK-LBPRGKRZSA-N 1 0 316.405 3.304 20 5 DGBDRO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245568025 432845777 /nfs/dbraw/zinc/84/57/77/432845777.db2.gz XZNWCOQILCWMJY-YXJHDRRASA-N 1 0 320.433 3.303 20 5 DGBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163261590 432848350 /nfs/dbraw/zinc/84/83/50/432848350.db2.gz OBFIETVDLMAYKC-DYVFJYSZSA-N 1 0 300.358 3.287 20 5 DGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000163328246 432850073 /nfs/dbraw/zinc/85/00/73/432850073.db2.gz VHIVYORZRSRASV-LSDHHAIUSA-N 1 0 310.781 3.392 20 5 DGBDRO Cc1n[nH]cc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278969701 432923132 /nfs/dbraw/zinc/92/31/32/432923132.db2.gz BYHUKZQFEWPLNF-HNNXBMFYSA-N 1 0 300.362 3.139 20 5 DGBDRO CC(C)c1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330680312 432924984 /nfs/dbraw/zinc/92/49/84/432924984.db2.gz YKDGLYRCUKRESL-ZFWWWQNUSA-N 1 0 305.422 3.291 20 5 DGBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331275942 432938078 /nfs/dbraw/zinc/93/80/78/432938078.db2.gz FKPSNMIRQFIFKV-JTNHKYCSSA-N 1 0 312.797 3.230 20 5 DGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCC3CCCC3)C2)nc1 ZINC000331523100 432946889 /nfs/dbraw/zinc/94/68/89/432946889.db2.gz ZJQNALQJPDWLFQ-AWEZNQCLSA-N 1 0 304.394 3.056 20 5 DGBDRO C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279226055 432947420 /nfs/dbraw/zinc/94/74/20/432947420.db2.gz ZMBRJTSVPQNFMS-MLGOLLRUSA-N 1 0 314.389 3.192 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000330552571 432916754 /nfs/dbraw/zinc/91/67/54/432916754.db2.gz YCBMHEDUBULEPI-FPMFFAJLSA-N 1 0 319.405 3.256 20 5 DGBDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000296554348 432921836 /nfs/dbraw/zinc/92/18/36/432921836.db2.gz CBWXHOZJDUHJRO-JKIFEVAISA-N 1 0 314.389 3.058 20 5 DGBDRO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C1 ZINC000332137454 432977827 /nfs/dbraw/zinc/97/78/27/432977827.db2.gz OXUPHKUXEPXJQP-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(CO)c1 ZINC000297290595 432987937 /nfs/dbraw/zinc/98/79/37/432987937.db2.gz LUMSDQZODZFUCD-QWHCGFSZSA-N 1 0 300.358 3.499 20 5 DGBDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332231563 432989068 /nfs/dbraw/zinc/98/90/68/432989068.db2.gz MECAACSGYSBAEJ-OAHLLOKOSA-N 1 0 302.378 3.482 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000289436857 432959889 /nfs/dbraw/zinc/95/98/89/432959889.db2.gz WEAYQPZNRWVNLG-UHFFFAOYSA-N 1 0 309.369 3.322 20 5 DGBDRO CCC1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000298058555 433044345 /nfs/dbraw/zinc/04/43/45/433044345.db2.gz GCEIZUKHUZTOGB-UHFFFAOYSA-N 1 0 305.378 3.236 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000332377460 433002901 /nfs/dbraw/zinc/00/29/01/433002901.db2.gz YAQFJSCKOOTCSN-HIFRSBDPSA-N 1 0 314.389 3.269 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000280142276 433005019 /nfs/dbraw/zinc/00/50/19/433005019.db2.gz PSIDXQXKRUKNLL-XHDPSFHLSA-N 1 0 300.362 3.057 20 5 DGBDRO C[NH+](C)C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000290241641 433018254 /nfs/dbraw/zinc/01/82/54/433018254.db2.gz ZORMYBXCMDIJQW-QGZVFWFLSA-N 1 0 317.364 3.126 20 5 DGBDRO CC[N@H+](CCOC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000349861581 433025042 /nfs/dbraw/zinc/02/50/42/433025042.db2.gz PTZGUIAJLREHIK-UHFFFAOYSA-N 1 0 304.346 3.323 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000349938082 433037434 /nfs/dbraw/zinc/03/74/34/433037434.db2.gz USQFZEIBOZMBGD-GFCCVEGCSA-N 1 0 308.378 3.113 20 5 DGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000354458611 433094445 /nfs/dbraw/zinc/09/44/45/433094445.db2.gz QGYWFENSUBZDBX-HZPDHXFCSA-N 1 0 322.405 3.239 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000453361567 433122116 /nfs/dbraw/zinc/12/21/16/433122116.db2.gz KJXSBQSNHDQYSM-IVMMDQJWSA-N 1 0 322.405 3.195 20 5 DGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000350279728 433126994 /nfs/dbraw/zinc/12/69/94/433126994.db2.gz QUGDLNITFXWOCS-UKRRQHHQSA-N 1 0 312.373 3.237 20 5 DGBDRO CC(C)(O)C(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453384594 433141099 /nfs/dbraw/zinc/14/10/99/433141099.db2.gz ZWSJZQAPEJCAMV-OAHLLOKOSA-N 1 0 320.433 3.303 20 5 DGBDRO Cc1c([C@H](C)NCC[N@@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000453388781 433143596 /nfs/dbraw/zinc/14/35/96/433143596.db2.gz FYGPQQYULNAYIO-AWEZNQCLSA-N 1 0 305.422 3.428 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000453353544 433112226 /nfs/dbraw/zinc/11/22/26/433112226.db2.gz JNAFEQRHYMONFQ-LBPRGKRZSA-N 1 0 324.421 3.441 20 5 DGBDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446838876 433116544 /nfs/dbraw/zinc/11/65/44/433116544.db2.gz MYUNTKDOOPJYKZ-QWHCGFSZSA-N 1 0 302.378 3.385 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc4[nH]ccc43)nc2c1 ZINC000446851901 433118060 /nfs/dbraw/zinc/11/80/60/433118060.db2.gz LFGKTUZNCZIYEA-UHFFFAOYSA-N 1 0 321.340 3.242 20 5 DGBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000446848195 433119166 /nfs/dbraw/zinc/11/91/66/433119166.db2.gz FVQNSDCKDDHIQM-IJLUTSLNSA-N 1 0 302.378 3.385 20 5 DGBDRO C[C@@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000446848199 433120810 /nfs/dbraw/zinc/12/08/10/433120810.db2.gz FVQNSDCKDDHIQM-WOPDTQHZSA-N 1 0 302.378 3.385 20 5 DGBDRO CCC(C)(C)OCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453404103 433158625 /nfs/dbraw/zinc/15/86/25/433158625.db2.gz HQVPXLMMYQDMFW-KGLIPLIRSA-N 1 0 324.425 3.070 20 5 DGBDRO CC(C)(CCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290801667 433170778 /nfs/dbraw/zinc/17/07/78/433170778.db2.gz FGVHRIBIZIHUFF-UHFFFAOYSA-N 1 0 321.204 3.400 20 5 DGBDRO Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519117 433210346 /nfs/dbraw/zinc/21/03/46/433210346.db2.gz XRDNXVJJQANEDO-JKSUJKDBSA-N 1 0 314.389 3.373 20 5 DGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC1CCC1 ZINC000361483290 433203328 /nfs/dbraw/zinc/20/33/28/433203328.db2.gz CWYPVGYIZOYADJ-UHFFFAOYSA-N 1 0 319.405 3.354 20 5 DGBDRO CC1(C)C[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000453584893 433219608 /nfs/dbraw/zinc/21/96/08/433219608.db2.gz RBFIKNKQGNBADV-VSKVDJIOSA-N 1 0 304.390 3.403 20 5 DGBDRO C[N@@H+]1CCCC12CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000374592508 433229116 /nfs/dbraw/zinc/22/91/16/433229116.db2.gz HDOBTILYJNTBCG-UHFFFAOYSA-N 1 0 323.824 3.308 20 5 DGBDRO O=[N+]([O-])c1ccc(NCC23CCC[NH+]2CCC3)c2ccncc21 ZINC000280940547 433234308 /nfs/dbraw/zinc/23/43/08/433234308.db2.gz IMJCHGATFNYXMV-UHFFFAOYSA-N 1 0 312.373 3.183 20 5 DGBDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000374669393 433253664 /nfs/dbraw/zinc/25/36/64/433253664.db2.gz BWINSIVRUVXRAG-SJORKVTESA-N 1 0 324.384 3.149 20 5 DGBDRO COCC1(C)CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000354761108 433262101 /nfs/dbraw/zinc/26/21/01/433262101.db2.gz JZDHBGSKWIVSKX-ALCCZGGFSA-N 1 0 304.390 3.357 20 5 DGBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CCC[N@@H+]1C ZINC000413232636 433266770 /nfs/dbraw/zinc/26/67/70/433266770.db2.gz CMMQCLXXZSYKHS-YPMHNXCESA-N 1 0 300.362 3.038 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447903674 433319735 /nfs/dbraw/zinc/31/97/35/433319735.db2.gz NXRKUCXNKAHXHY-INIZCTEOSA-N 1 0 305.422 3.113 20 5 DGBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000447906289 433320403 /nfs/dbraw/zinc/32/04/03/433320403.db2.gz XAVBVDLJAXVVLP-UXHZXRBQSA-N 1 0 317.433 3.318 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447811849 433287537 /nfs/dbraw/zinc/28/75/37/433287537.db2.gz PHHKJRCMJCISRH-MRXNPFEDSA-N 1 0 321.421 3.274 20 5 DGBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000291887339 433382266 /nfs/dbraw/zinc/38/22/66/433382266.db2.gz JFCLXBDLMQPYPM-HOTGVXAUSA-N 1 0 304.390 3.139 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421025025 433389593 /nfs/dbraw/zinc/38/95/93/433389593.db2.gz XXKBSCWRLIMAHG-LSDHHAIUSA-N 1 0 306.406 3.449 20 5 DGBDRO Cc1cc(NC[C@H](CC(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301065312 433395470 /nfs/dbraw/zinc/39/54/70/433395470.db2.gz BSBKBEOLOQEVJR-INIZCTEOSA-N 1 0 321.421 3.062 20 5 DGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000301108938 433416858 /nfs/dbraw/zinc/41/68/58/433416858.db2.gz XNUPJNFDADEJPE-OAHLLOKOSA-N 1 0 317.364 3.319 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NCCN1CCc2sccc2C1 ZINC000301203326 433452633 /nfs/dbraw/zinc/45/26/33/433452633.db2.gz XPNQCIQTSPHPRG-UHFFFAOYSA-N 1 0 317.414 3.435 20 5 DGBDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000414197711 433458578 /nfs/dbraw/zinc/45/85/78/433458578.db2.gz ZAGBZRBENUQPAZ-LXTVHRRPSA-N 1 0 306.410 3.299 20 5 DGBDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000355105480 433465150 /nfs/dbraw/zinc/46/51/50/433465150.db2.gz HYWPTTSWAOHYSW-STQMWFEESA-N 1 0 322.405 3.480 20 5 DGBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000301254431 433471305 /nfs/dbraw/zinc/47/13/05/433471305.db2.gz CRDDYLGKLKGPLY-MNOVXSKESA-N 1 0 312.801 3.176 20 5 DGBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000301254433 433471417 /nfs/dbraw/zinc/47/14/17/433471417.db2.gz CRDDYLGKLKGPLY-WDEREUQCSA-N 1 0 312.801 3.176 20 5 DGBDRO Cc1ccnc(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301266911 433480360 /nfs/dbraw/zinc/48/03/60/433480360.db2.gz GTXBOMBFFLWZJV-ZIAGYGMSSA-N 1 0 320.437 3.468 20 5 DGBDRO CC[C@H](C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000421390449 433532282 /nfs/dbraw/zinc/53/22/82/433532282.db2.gz UVKBNUJJBJMENZ-SWLSCSKDSA-N 1 0 302.378 3.053 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)o2)cc1 ZINC000426468141 433508753 /nfs/dbraw/zinc/50/87/53/433508753.db2.gz FBGDYVIXTZCLQE-FZMZJTMJSA-N 1 0 314.345 3.019 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000339388696 433552612 /nfs/dbraw/zinc/55/26/12/433552612.db2.gz IOEBDHMMCCJGQA-KTRBRXNASA-N 1 0 302.334 3.194 20 5 DGBDRO CC(C)C[C@@H]([NH3+])c1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000339387993 433553496 /nfs/dbraw/zinc/55/34/96/433553496.db2.gz UBZQSNXDAFIHQA-FVOPLDGLSA-N 1 0 320.324 3.333 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc(/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000339388697 433555153 /nfs/dbraw/zinc/55/51/53/433555153.db2.gz IOEBDHMMCCJGQA-YBJDMEARSA-N 1 0 302.334 3.194 20 5 DGBDRO COCCN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000362169248 433560141 /nfs/dbraw/zinc/56/01/41/433560141.db2.gz FUPODKKGFXEYNJ-QWHCGFSZSA-N 1 0 310.369 3.371 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000301446862 433562087 /nfs/dbraw/zinc/56/20/87/433562087.db2.gz QHLQBGQPGIFXJM-KGLIPLIRSA-N 1 0 321.421 3.274 20 5 DGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1CCCCC1 ZINC000301529198 433593956 /nfs/dbraw/zinc/59/39/56/433593956.db2.gz ORQREXJWCPKSLW-CYBMUJFWSA-N 1 0 307.394 3.028 20 5 DGBDRO O=[N+]([O-])c1cccc(CNc2[nH+]ccn2Cc2ccccc2)c1 ZINC000351551602 433569934 /nfs/dbraw/zinc/56/99/34/433569934.db2.gz YJPFDZAZBNZJJU-UHFFFAOYSA-N 1 0 308.341 3.452 20 5 DGBDRO CCOc1cc(NCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301502511 433582837 /nfs/dbraw/zinc/58/28/37/433582837.db2.gz FMVJWPZDMAFLDL-ZDUSSCGKSA-N 1 0 307.394 3.137 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282247034 433542704 /nfs/dbraw/zinc/54/27/04/433542704.db2.gz QFQNGFSEGSMIIJ-MRXNPFEDSA-N 1 0 304.390 3.076 20 5 DGBDRO Cc1cc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301412781 433542932 /nfs/dbraw/zinc/54/29/32/433542932.db2.gz AHGKHNDMCNWRJO-BETUJISGSA-N 1 0 306.410 3.078 20 5 DGBDRO COc1ccc(OCC[NH2+][C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000162321858 292851766 /nfs/dbraw/zinc/85/17/66/292851766.db2.gz FBPJQOFUFXRUBG-OCCSQVGLSA-N 1 0 308.378 3.151 20 5 DGBDRO Cc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000320317622 292897435 /nfs/dbraw/zinc/89/74/35/292897435.db2.gz GPALZEQWYQPXLP-CQSZACIVSA-N 1 0 307.369 3.011 20 5 DGBDRO C[C@@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)c1nccs1 ZINC000283067045 433655941 /nfs/dbraw/zinc/65/59/41/433655941.db2.gz JWAFZXLHCMQDDR-JTQLQIEISA-N 1 0 309.366 3.426 20 5 DGBDRO Cc1nc(N2CC[NH+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301671042 433666852 /nfs/dbraw/zinc/66/68/52/433666852.db2.gz YTQKVVCXSNBKJT-UHFFFAOYSA-N 1 0 318.421 3.001 20 5 DGBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+](C)C)cc1 ZINC000301672085 433668140 /nfs/dbraw/zinc/66/81/40/433668140.db2.gz ZKIZOVVLBOTSQY-INIZCTEOSA-N 1 0 314.389 3.321 20 5 DGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414514232 433678192 /nfs/dbraw/zinc/67/81/92/433678192.db2.gz LKJPEWCPECUKGH-SWBXDYTOSA-N 1 0 304.390 3.401 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1COc2ccccc21 ZINC000342420321 433681073 /nfs/dbraw/zinc/68/10/73/433681073.db2.gz KNBDAFNTGROQSS-KEDPEKRHSA-N 1 0 310.353 3.374 20 5 DGBDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293278673 433683529 /nfs/dbraw/zinc/68/35/29/433683529.db2.gz CQLAIBQCJXYMBE-LBPRGKRZSA-N 1 0 315.373 3.427 20 5 DGBDRO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000368218010 293105563 /nfs/dbraw/zinc/10/55/63/293105563.db2.gz CJPBDLLQKHWWJH-OAHLLOKOSA-N 1 0 314.389 3.075 20 5 DGBDRO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000301749451 433709150 /nfs/dbraw/zinc/70/91/50/433709150.db2.gz AABGDJANBDIUHR-KBXCAEBGSA-N 1 0 315.417 3.356 20 5 DGBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000283376465 433712365 /nfs/dbraw/zinc/71/23/65/433712365.db2.gz SORDXVIWNVECEB-CHWSQXEVSA-N 1 0 305.378 3.044 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000374009370 293342198 /nfs/dbraw/zinc/34/21/98/293342198.db2.gz XYIDHGYTFYJZAE-LBPRGKRZSA-N 1 0 302.330 3.186 20 5 DGBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000414549630 433714148 /nfs/dbraw/zinc/71/41/48/433714148.db2.gz BCJMIRXWMPUBHD-RDJZCZTQSA-N 1 0 312.369 3.497 20 5 DGBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000301781690 433721176 /nfs/dbraw/zinc/72/11/76/433721176.db2.gz NIOAPHJYJVKRIJ-AWEZNQCLSA-N 1 0 306.410 3.078 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](CC4CC4)C3)nc2c1 ZINC000339682735 433730783 /nfs/dbraw/zinc/73/07/83/433730783.db2.gz LIIURTIFVSGYPP-GFCCVEGCSA-N 1 0 300.362 3.093 20 5 DGBDRO COc1cc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc([N+](=O)[O-])c1C ZINC000414617810 433746592 /nfs/dbraw/zinc/74/65/92/433746592.db2.gz MDYWDBAVYUKZRN-NSHDSACASA-N 1 0 320.349 3.008 20 5 DGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000449463812 433747626 /nfs/dbraw/zinc/74/76/26/433747626.db2.gz WXXXCULGNXIGJX-BFYDXBDKSA-N 1 0 304.390 3.029 20 5 DGBDRO CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000414629955 433758684 /nfs/dbraw/zinc/75/86/84/433758684.db2.gz VBDOPLSXGAEIIR-MJBXVCDLSA-N 1 0 316.361 3.295 20 5 DGBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301875943 433772192 /nfs/dbraw/zinc/77/21/92/433772192.db2.gz RXBRNTOTGHCZGY-UHFFFAOYSA-N 1 0 314.389 3.409 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCc3cccnc3CC2)cccc1[N+](=O)[O-] ZINC000421842635 433764983 /nfs/dbraw/zinc/76/49/83/433764983.db2.gz OEUJMJJXMPCRIS-INIZCTEOSA-N 1 0 311.385 3.335 20 5 DGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C2([NH3+])CCC2)no1 ZINC000414648172 433770568 /nfs/dbraw/zinc/77/05/68/433770568.db2.gz RSRCYFYDLHEZLE-LBPRGKRZSA-N 1 0 316.361 3.052 20 5 DGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COc2ccccc2C1 ZINC000449099698 433723518 /nfs/dbraw/zinc/72/35/18/433723518.db2.gz OROKRZHRNPYOIP-CZUORRHYSA-N 1 0 312.369 3.119 20 5 DGBDRO CC(=O)c1cc(NCC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000283430845 433725282 /nfs/dbraw/zinc/72/52/82/433725282.db2.gz CIFIHTMWXZKFBW-UHFFFAOYSA-N 1 0 305.378 3.084 20 5 DGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCC1(O)CCC1)C1CC1 ZINC000421864870 433783531 /nfs/dbraw/zinc/78/35/31/433783531.db2.gz YEPQVZONERUZFP-INIZCTEOSA-N 1 0 318.417 3.201 20 5 DGBDRO CC[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000421868914 433786916 /nfs/dbraw/zinc/78/69/16/433786916.db2.gz CXLYDMWMOUBCRK-IRXDYDNUSA-N 1 0 300.358 3.045 20 5 DGBDRO COCC1(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000293579218 433793964 /nfs/dbraw/zinc/79/39/64/433793964.db2.gz BXDWXNSIICIHLL-LBPRGKRZSA-N 1 0 307.394 3.034 20 5 DGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000293656575 433820510 /nfs/dbraw/zinc/82/05/10/433820510.db2.gz IFMKYWZUBHPHND-JSGCOSHPSA-N 1 0 321.421 3.106 20 5 DGBDRO Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(Cl)cc1[N+](=O)[O-] ZINC000302715834 433835886 /nfs/dbraw/zinc/83/58/86/433835886.db2.gz FUOFKWOPRBALDJ-TZMCWYRMSA-N 1 0 323.824 3.477 20 5 DGBDRO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284097754 433837052 /nfs/dbraw/zinc/83/70/52/433837052.db2.gz MQJSAEZIRMAANY-NWDGAFQWSA-N 1 0 315.373 3.081 20 5 DGBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293722197 433841173 /nfs/dbraw/zinc/84/11/73/433841173.db2.gz MNDRITSCLFCONK-RYUDHWBXSA-N 1 0 315.373 3.164 20 5 DGBDRO CC(C)(CCO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433285196 433847026 /nfs/dbraw/zinc/84/70/26/433847026.db2.gz LNEKXHYEVGRDOG-HNNXBMFYSA-N 1 0 306.406 3.315 20 5 DGBDRO CCc1nc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000293746315 433849919 /nfs/dbraw/zinc/84/99/19/433849919.db2.gz NUWWRFUXUWHGBT-JTQLQIEISA-N 1 0 320.418 3.089 20 5 DGBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302752752 433854163 /nfs/dbraw/zinc/85/41/63/433854163.db2.gz HNICFOLVIKACOC-LBPRGKRZSA-N 1 0 311.813 3.416 20 5 DGBDRO CC[NH2+]CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414822849 433861836 /nfs/dbraw/zinc/86/18/36/433861836.db2.gz HGTWCGUVTLWQRJ-UHFFFAOYSA-N 1 0 305.403 3.022 20 5 DGBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)c2cc(F)ccc2C[NH2+]1 ZINC000414871537 433895903 /nfs/dbraw/zinc/89/59/03/433895903.db2.gz OHJUJOUEWZVXGL-SNVBAGLBSA-N 1 0 321.377 3.294 20 5 DGBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000345189565 433901988 /nfs/dbraw/zinc/90/19/88/433901988.db2.gz KNGSRDWXCIRLGY-QWHCGFSZSA-N 1 0 314.389 3.062 20 5 DGBDRO Cc1cnc(NCCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000303219346 433923923 /nfs/dbraw/zinc/92/39/23/433923923.db2.gz BOJJDRBVCYOQHQ-UHFFFAOYSA-N 1 0 314.389 3.232 20 5 DGBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000352053147 433889571 /nfs/dbraw/zinc/88/95/71/433889571.db2.gz QUMQRPCGNUKLIV-HOTGVXAUSA-N 1 0 321.421 3.329 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc3c(c2)CCCN3)cs1 ZINC000414978587 433952796 /nfs/dbraw/zinc/95/27/96/433952796.db2.gz RYXZQPBUFZHVOX-UHFFFAOYSA-N 1 0 303.387 3.304 20 5 DGBDRO C[C@H]1SCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000303725663 433963054 /nfs/dbraw/zinc/96/30/54/433963054.db2.gz STHFZFAPKNDQHH-CHWSQXEVSA-N 1 0 310.419 3.190 20 5 DGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000352298621 434030255 /nfs/dbraw/zinc/03/02/55/434030255.db2.gz ZOCPRQXFYIMQJQ-DAYGRLMNSA-N 1 0 317.433 3.432 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000377897160 434030367 /nfs/dbraw/zinc/03/03/67/434030367.db2.gz AYGVJVYMIQQJEA-UHFFFAOYSA-N 1 0 310.781 3.251 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285688216 434040406 /nfs/dbraw/zinc/04/04/06/434040406.db2.gz VGSLLGYFOVIAPI-QLFBSQMISA-N 1 0 303.406 3.214 20 5 DGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000340333265 434073114 /nfs/dbraw/zinc/07/31/14/434073114.db2.gz SCRMLGOFYCKBAI-UHFFFAOYSA-N 1 0 313.357 3.217 20 5 DGBDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423203723 293915299 /nfs/dbraw/zinc/91/52/99/293915299.db2.gz NBWLGPXSKNRYGX-NEPJUHHUSA-N 1 0 317.414 3.336 20 5 DGBDRO Cn1ccnc1[C@H]([NH2+]CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353404681 434111184 /nfs/dbraw/zinc/11/11/84/434111184.db2.gz MXEOPMRKMLBXHT-MRXNPFEDSA-N 1 0 314.389 3.198 20 5 DGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1-n1ccnn1 ZINC000353408636 434112758 /nfs/dbraw/zinc/11/27/58/434112758.db2.gz UIFGIBPWYPLKAC-CYBMUJFWSA-N 1 0 323.356 3.026 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000500473928 294114192 /nfs/dbraw/zinc/11/41/92/294114192.db2.gz FEJGOKFXMKKCDG-UDGJJRABSA-N 1 0 312.316 3.358 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000505825741 294255346 /nfs/dbraw/zinc/25/53/46/294255346.db2.gz MYYZXKOVDWRMPL-MRXNPFEDSA-N 1 0 312.369 3.496 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000507448153 294298248 /nfs/dbraw/zinc/29/82/48/294298248.db2.gz ZBQLNNZKKNAVPN-AAEUAGOBSA-N 1 0 312.797 3.195 20 5 DGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000507527711 294303211 /nfs/dbraw/zinc/30/32/11/294303211.db2.gz MWIHVJPWODKICN-ZBFHGGJFSA-N 1 0 306.406 3.322 20 5 DGBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000286085981 434156312 /nfs/dbraw/zinc/15/63/12/434156312.db2.gz KGWDBWIBTIOXPZ-UMVBOHGHSA-N 1 0 319.405 3.399 20 5 DGBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295071597 434178084 /nfs/dbraw/zinc/17/80/84/434178084.db2.gz PHTKGLBTMJMHDZ-LBPRGKRZSA-N 1 0 318.373 3.494 20 5 DGBDRO COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000286176546 434186866 /nfs/dbraw/zinc/18/68/66/434186866.db2.gz QRHZAYPGSHYZRA-SNVBAGLBSA-N 1 0 320.370 3.294 20 5 DGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C(C)(C)C)CC1 ZINC000286183320 434188029 /nfs/dbraw/zinc/18/80/29/434188029.db2.gz DOBJVCQGCHIRJI-UHFFFAOYSA-N 1 0 319.405 3.472 20 5 DGBDRO C[C@H]1C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000317097256 434196604 /nfs/dbraw/zinc/19/66/04/434196604.db2.gz BFCDDLVOWUJPTK-AAEUAGOBSA-N 1 0 300.362 3.038 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000378493783 434202452 /nfs/dbraw/zinc/20/24/52/434202452.db2.gz IXWYQNQJROIVPV-ZNMIVQPWSA-N 1 0 304.390 3.323 20 5 DGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286258275 434211653 /nfs/dbraw/zinc/21/16/53/434211653.db2.gz AWPUXGNYYPBPQI-GWIBLVFBSA-N 1 0 322.792 3.103 20 5 DGBDRO Cc1cccnc1C(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000515020683 294532950 /nfs/dbraw/zinc/53/29/50/294532950.db2.gz ODTQJCFBTMDRPL-UHFFFAOYSA-N 1 0 305.403 3.427 20 5 DGBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000322477191 434257557 /nfs/dbraw/zinc/25/75/57/434257557.db2.gz RKQFELRCFQVDNB-CZUORRHYSA-N 1 0 319.405 3.037 20 5 DGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000437524045 434280132 /nfs/dbraw/zinc/28/01/32/434280132.db2.gz DIARMBRKVPHWLW-JKSUJKDBSA-N 1 0 322.430 3.334 20 5 DGBDRO CC[NH2+]CCN[C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000423248914 434311190 /nfs/dbraw/zinc/31/11/90/434311190.db2.gz RLJUTHCZBCOCJM-QGZVFWFLSA-N 1 0 317.389 3.039 20 5 DGBDRO Cc1cc(NC[C@@H]2CCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000388811995 434334267 /nfs/dbraw/zinc/33/42/67/434334267.db2.gz AEFBOXXFCMHBIY-CHWSQXEVSA-N 1 0 315.373 3.100 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000450670398 434327944 /nfs/dbraw/zinc/32/79/44/434327944.db2.gz DHHJQWIBHIBFGC-SUNYJGFJSA-N 1 0 314.385 3.410 20 5 DGBDRO Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000359839586 434444151 /nfs/dbraw/zinc/44/41/51/434444151.db2.gz LBYJRRHVYYNFOB-AWEZNQCLSA-N 1 0 307.325 3.350 20 5 DGBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000287586704 434405734 /nfs/dbraw/zinc/40/57/34/434405734.db2.gz RHKJBTBASKLWRL-XYPHTWIQSA-N 1 0 318.417 3.178 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000423421095 434416458 /nfs/dbraw/zinc/41/64/58/434416458.db2.gz JRTNHSPRGZFPHP-SCLBCKFNSA-N 1 0 311.385 3.132 20 5 DGBDRO C[C@@H]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000397410326 434438626 /nfs/dbraw/zinc/43/86/26/434438626.db2.gz QQAPDMXTIIKPFJ-NQBHXWOUSA-N 1 0 311.813 3.053 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450852934 434440579 /nfs/dbraw/zinc/44/05/79/434440579.db2.gz AMFGEYHABLXHMV-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cnn3ccccc13)CCC2 ZINC000353866543 434489449 /nfs/dbraw/zinc/48/94/49/434489449.db2.gz MXAJYIIQCPZJMI-QGZVFWFLSA-N 1 0 322.368 3.410 20 5 DGBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc2ccccc21 ZINC000341059666 434519269 /nfs/dbraw/zinc/51/92/69/434519269.db2.gz MBQKVYCVVSCPRG-LBPRGKRZSA-N 1 0 310.357 3.332 20 5 DGBDRO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000366877521 434527928 /nfs/dbraw/zinc/52/79/28/434527928.db2.gz CFGATMWJYYSRNL-HOCLYGCPSA-N 1 0 314.389 3.059 20 5 DGBDRO CCCN(CC[NH+]1CCCCCC1)c1ncc([N+](=O)[O-])s1 ZINC000341072262 434531015 /nfs/dbraw/zinc/53/10/15/434531015.db2.gz QTHPPWAGQUDMGN-UHFFFAOYSA-N 1 0 312.439 3.144 20 5 DGBDRO C[C@H]1C[C@H]1c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])o1 ZINC000348895631 434544684 /nfs/dbraw/zinc/54/46/84/434544684.db2.gz RHSRCQLDNXTPRI-GXTWGEPZSA-N 1 0 315.373 3.277 20 5 DGBDRO C[C@@H]1C[C@@H]1c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])o1 ZINC000348895634 434545882 /nfs/dbraw/zinc/54/58/82/434545882.db2.gz RHSRCQLDNXTPRI-OCCSQVGLSA-N 1 0 315.373 3.277 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000449329903 295025031 /nfs/dbraw/zinc/02/50/31/295025031.db2.gz JXGAOPKJNABQDK-OLZOCXBDSA-N 1 0 315.373 3.280 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000408341858 434564278 /nfs/dbraw/zinc/56/42/78/434564278.db2.gz TYTKIWUGOURHBR-QLFBSQMISA-N 1 0 318.421 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCn2cc(Cl)cn2)C2CC2)cc1 ZINC000459366032 434569594 /nfs/dbraw/zinc/56/95/94/434569594.db2.gz COEXBDBKVSYOKC-UHFFFAOYSA-N 1 0 320.780 3.109 20 5 DGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CC1(C)C ZINC000418112955 434591054 /nfs/dbraw/zinc/59/10/54/434591054.db2.gz ZJZNQKIQGZSAJK-HUUCEWRRSA-N 1 0 320.389 3.376 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](OC)C(C)C)cc1[N+](=O)[O-] ZINC000349207374 434635555 /nfs/dbraw/zinc/63/55/55/434635555.db2.gz GWZPZFDZTHKGKO-BLLLJJGKSA-N 1 0 310.394 3.315 20 5 DGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H](C)C1 ZINC000360598140 434645789 /nfs/dbraw/zinc/64/57/89/434645789.db2.gz NZOQQCSGEYNDDJ-QWHCGFSZSA-N 1 0 305.378 3.044 20 5 DGBDRO CCOc1ccc([C@H](C)N[C@@H](C)C[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000349210174 434639223 /nfs/dbraw/zinc/63/92/23/434639223.db2.gz SRJQTOSZIUSKPK-KBPBESRZSA-N 1 0 323.437 3.374 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459542333 434599509 /nfs/dbraw/zinc/59/95/09/434599509.db2.gz NTIGNTZXEYKNJY-INIZCTEOSA-N 1 0 306.406 3.262 20 5 DGBDRO C[C@@H]1CC[N@H+](C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000354082946 434609576 /nfs/dbraw/zinc/60/95/76/434609576.db2.gz AGHSDUGNQZAIGN-SNVBAGLBSA-N 1 0 317.311 3.144 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(F)c1 ZINC000459753172 434698389 /nfs/dbraw/zinc/69/83/89/434698389.db2.gz LOFBUOHGYGSIMN-DOTOQJQBSA-N 1 0 322.380 3.107 20 5 DGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccn(C)n1 ZINC000459753751 434698479 /nfs/dbraw/zinc/69/84/79/434698479.db2.gz NUGCJRFDJGMLNI-CHWSQXEVSA-N 1 0 302.378 3.000 20 5 DGBDRO C[N@@H+]1CCC[C@@]2(CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000354167925 434652902 /nfs/dbraw/zinc/65/29/02/434652902.db2.gz USJZSQOAKXUMLW-NCRRVARUSA-N 1 0 315.417 3.026 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000459733525 434683932 /nfs/dbraw/zinc/68/39/32/434683932.db2.gz GPXUKXUKARHJBB-CVEARBPZSA-N 1 0 320.389 3.041 20 5 DGBDRO CCC[C@H](NCc1nccc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000424309665 434688141 /nfs/dbraw/zinc/68/81/41/434688141.db2.gz QWFGFDRZIBTWSH-AWEZNQCLSA-N 1 0 316.361 3.024 20 5 DGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000349356659 434690973 /nfs/dbraw/zinc/69/09/73/434690973.db2.gz VYVANRNULMLDSQ-MLGOLLRUSA-N 1 0 316.357 3.058 20 5 DGBDRO CCN(CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000349413832 434710222 /nfs/dbraw/zinc/71/02/22/434710222.db2.gz FMSIAJOHDJSTIH-UHFFFAOYSA-N 1 0 309.385 3.042 20 5 DGBDRO C[C@H](C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459786218 434717848 /nfs/dbraw/zinc/71/78/48/434717848.db2.gz BPQXSSMXVOCTAN-CYBMUJFWSA-N 1 0 322.405 3.047 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000459791797 434722421 /nfs/dbraw/zinc/72/24/21/434722421.db2.gz TVZFEFJLBXEHGX-CXTNEJHOSA-N 1 0 317.389 3.008 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccncc1 ZINC000360894362 434722774 /nfs/dbraw/zinc/72/27/74/434722774.db2.gz UBLJIWVTCXJBAM-CQSZACIVSA-N 1 0 301.346 3.239 20 5 DGBDRO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000419313212 434771440 /nfs/dbraw/zinc/77/14/40/434771440.db2.gz GEVJOXQQQPVINL-OLZOCXBDSA-N 1 0 319.405 3.256 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000360994263 434757519 /nfs/dbraw/zinc/75/75/19/434757519.db2.gz ICJKOLPQWIIKQC-CQSZACIVSA-N 1 0 319.405 3.108 20 5 DGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000411482152 434787421 /nfs/dbraw/zinc/78/74/21/434787421.db2.gz AEMNDOICMMZPRV-AWEZNQCLSA-N 1 0 307.394 3.338 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419377984 434781660 /nfs/dbraw/zinc/78/16/60/434781660.db2.gz VGABVIHVSHLAQV-MELADBBJSA-N 1 0 319.405 3.208 20 5 DGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411556360 434800888 /nfs/dbraw/zinc/80/08/88/434800888.db2.gz OSMRQAHYPMUNMG-DOMZBBRYSA-N 1 0 305.378 3.044 20 5 DGBDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000372095371 434796783 /nfs/dbraw/zinc/79/67/83/434796783.db2.gz NXSJSVNLPAMYCD-VUCTXSBTSA-N 1 0 304.390 3.451 20 5 DGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000361239742 434837752 /nfs/dbraw/zinc/83/77/52/434837752.db2.gz XQSMNHJVKXUTNE-IDKBZEPQSA-N 1 0 312.373 3.142 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCSC2(CCC2)CC1 ZINC000411869611 434837982 /nfs/dbraw/zinc/83/79/82/434837982.db2.gz NJBXEDROHAYWOC-UHFFFAOYSA-N 1 0 322.430 3.335 20 5 DGBDRO CC1(C)CCCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000446071829 434846809 /nfs/dbraw/zinc/84/68/09/434846809.db2.gz KLQXBBAKYAXTIQ-UHFFFAOYSA-N 1 0 319.405 3.436 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000372739110 434850263 /nfs/dbraw/zinc/85/02/63/434850263.db2.gz IGAGLAUNNHVKCF-CQSZACIVSA-N 1 0 314.389 3.088 20 5 DGBDRO CC(C)([NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1[N+](=O)[O-] ZINC000492044841 434906009 /nfs/dbraw/zinc/90/60/09/434906009.db2.gz KNPZLNYGICFFEA-UHFFFAOYSA-N 1 0 310.357 3.496 20 5 DGBDRO CC(C)O[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463029238 434940387 /nfs/dbraw/zinc/94/03/87/434940387.db2.gz OASLTWNSMLMQLT-HOTGVXAUSA-N 1 0 306.406 3.319 20 5 DGBDRO C[N@H+](CCOc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000554834118 434949214 /nfs/dbraw/zinc/94/92/14/434949214.db2.gz ANSZLSGDIDNUDC-UHFFFAOYSA-N 1 0 300.358 3.148 20 5 DGBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000464091952 434976334 /nfs/dbraw/zinc/97/63/34/434976334.db2.gz JRJKYQZEWVPLQH-GJZGRUSLSA-N 1 0 310.369 3.416 20 5 DGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C[C@H](C)[N@H+]1C ZINC000555221529 434965233 /nfs/dbraw/zinc/96/52/33/434965233.db2.gz RTKIRCXRNHCXNN-BETUJISGSA-N 1 0 321.421 3.301 20 5 DGBDRO CC(C)[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464777994 434999027 /nfs/dbraw/zinc/99/90/27/434999027.db2.gz WLQKTLZWRARRIU-INIZCTEOSA-N 1 0 324.446 3.437 20 5 DGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000556240352 435002025 /nfs/dbraw/zinc/00/20/25/435002025.db2.gz XNHPRJVTAQTQGM-LXZKKBNFSA-N 1 0 320.433 3.445 20 5 DGBDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000557795818 435067727 /nfs/dbraw/zinc/06/77/27/435067727.db2.gz LGDLXJQZXFHAGS-LRDDRELGSA-N 1 0 316.357 3.480 20 5 DGBDRO CC(C)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000466663950 435086742 /nfs/dbraw/zinc/08/67/42/435086742.db2.gz IWLJGNFWFMCEHO-AWEZNQCLSA-N 1 0 319.405 3.434 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000530724428 435047727 /nfs/dbraw/zinc/04/77/27/435047727.db2.gz IEMASRNYCRPTEC-HNNXBMFYSA-N 1 0 313.357 3.206 20 5 DGBDRO Cc1ccccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558573416 435097450 /nfs/dbraw/zinc/09/74/50/435097450.db2.gz SPJDPJDFIPETEE-UHFFFAOYSA-N 1 0 313.357 3.022 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000531704543 435111343 /nfs/dbraw/zinc/11/13/43/435111343.db2.gz ZJSLBIOXJZSDSS-ZDUSSCGKSA-N 1 0 300.358 3.246 20 5 DGBDRO CCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000559100146 435122237 /nfs/dbraw/zinc/12/22/37/435122237.db2.gz HSDUSFUGSGIHJH-UHFFFAOYSA-N 1 0 304.350 3.265 20 5 DGBDRO C[C@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000579375325 435150121 /nfs/dbraw/zinc/15/01/21/435150121.db2.gz FJPGRLYUZMFAGS-CABCVRRESA-N 1 0 305.422 3.366 20 5 DGBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000639040430 435133234 /nfs/dbraw/zinc/13/32/34/435133234.db2.gz FAGYIWAPYDVUTK-SHTZXODSSA-N 1 0 319.408 3.388 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000532196544 435145912 /nfs/dbraw/zinc/14/59/12/435145912.db2.gz YKFCIUQUWUFIAJ-LRDDRELGSA-N 1 0 314.389 3.365 20 5 DGBDRO CO[C@@]1(C)CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000475278324 435186781 /nfs/dbraw/zinc/18/67/81/435186781.db2.gz IOCDLDFPKAMOGW-SHRNQRGKSA-N 1 0 304.390 3.499 20 5 DGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000532927374 435201231 /nfs/dbraw/zinc/20/12/31/435201231.db2.gz DMYOGLUZAWPIAX-OCCSQVGLSA-N 1 0 319.405 3.352 20 5 DGBDRO COc1ccc(C[NH2+]CCCc2ccccc2F)cc1[N+](=O)[O-] ZINC000475561585 435202297 /nfs/dbraw/zinc/20/22/97/435202297.db2.gz ZHOQNRHSWFUHRS-UHFFFAOYSA-N 1 0 318.348 3.465 20 5 DGBDRO CC(=O)c1cc(N2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000561159173 435203044 /nfs/dbraw/zinc/20/30/44/435203044.db2.gz SOSJOFJHWZMZJH-UHFFFAOYSA-N 1 0 319.405 3.108 20 5 DGBDRO CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532978525 435203796 /nfs/dbraw/zinc/20/37/96/435203796.db2.gz UBUKFSLDHDLRBH-CQSZACIVSA-N 1 0 319.405 3.354 20 5 DGBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)Cc2ccccc2C1 ZINC000478277762 435294739 /nfs/dbraw/zinc/29/47/39/435294739.db2.gz QALLXUWQKZHBPU-UHFFFAOYSA-N 1 0 300.333 3.381 20 5 DGBDRO C[C@H]1C[C@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536363798 435379935 /nfs/dbraw/zinc/37/99/35/435379935.db2.gz SADWVVJRDNQZPT-RYUDHWBXSA-N 1 0 301.346 3.480 20 5 DGBDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537967004 435477113 /nfs/dbraw/zinc/47/71/13/435477113.db2.gz PGISHYIRMWBVHA-UGSOOPFHSA-N 1 0 312.369 3.497 20 5 DGBDRO CC(C)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCN(C)C ZINC000514758304 435433968 /nfs/dbraw/zinc/43/39/68/435433968.db2.gz LNFPRVDLXYQMFC-VQHVLOKHSA-N 1 0 305.422 3.128 20 5 DGBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000537288270 435434953 /nfs/dbraw/zinc/43/49/53/435434953.db2.gz PIUXRRRSKBFQTP-CQSZACIVSA-N 1 0 307.394 3.256 20 5 DGBDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)(C)C ZINC000537290114 435436003 /nfs/dbraw/zinc/43/60/03/435436003.db2.gz JJCCCVDRSSXFPD-CYBMUJFWSA-N 1 0 307.394 3.256 20 5 DGBDRO C[C@H]1C[C@H](C)[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538717490 435515992 /nfs/dbraw/zinc/51/59/92/435515992.db2.gz FBRLCSDFIZNIRO-STQMWFEESA-N 1 0 314.389 3.226 20 5 DGBDRO C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530395 435534934 /nfs/dbraw/zinc/53/49/34/435534934.db2.gz XBCXDWYUUSKCNC-SUMWQHHRSA-N 1 0 317.433 3.249 20 5 DGBDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000430 435493236 /nfs/dbraw/zinc/49/32/36/435493236.db2.gz IEHFPIUDYKKNMA-KEYYUXOJSA-N 1 0 317.433 3.292 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)CC1CCCCC1 ZINC000485720473 435577051 /nfs/dbraw/zinc/57/70/51/435577051.db2.gz RLWPBRGPTGJHCW-UHFFFAOYSA-N 1 0 306.406 3.278 20 5 DGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000570371710 435613389 /nfs/dbraw/zinc/61/33/89/435613389.db2.gz DINPGQWJFRSFDS-JTQLQIEISA-N 1 0 317.336 3.337 20 5 DGBDRO CN(C)c1ccccc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000540809045 435618109 /nfs/dbraw/zinc/61/81/09/435618109.db2.gz PLSZMANUDVIARF-JXMROGBWSA-N 1 0 311.385 3.464 20 5 DGBDRO CC(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000540962179 435630661 /nfs/dbraw/zinc/63/06/61/435630661.db2.gz VBQKGDMOTOIEFZ-DZGCQCFKSA-N 1 0 306.406 3.311 20 5 DGBDRO CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000488031253 435633823 /nfs/dbraw/zinc/63/38/23/435633823.db2.gz KNRQOIOFCKOJBR-ZFWWWQNUSA-N 1 0 321.421 3.201 20 5 DGBDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000541055344 435634523 /nfs/dbraw/zinc/63/45/23/435634523.db2.gz XMMAJXACJFNNLU-MRXNPFEDSA-N 1 0 300.358 3.035 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570294043 435606637 /nfs/dbraw/zinc/60/66/37/435606637.db2.gz YFOUUNOJWYOQKU-XJKSGUPXSA-N 1 0 305.422 3.292 20 5 DGBDRO CN(C)c1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000570864211 435658363 /nfs/dbraw/zinc/65/83/63/435658363.db2.gz RQTVWDDWCPSNKC-QGZVFWFLSA-N 1 0 311.385 3.438 20 5 DGBDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000571678280 435727043 /nfs/dbraw/zinc/72/70/43/435727043.db2.gz MYEGDOFQOLMCPD-CQSZACIVSA-N 1 0 318.373 3.209 20 5 DGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000548791620 435718651 /nfs/dbraw/zinc/71/86/51/435718651.db2.gz FFBUKKDMJIIWAM-KRWDZBQOSA-N 1 0 318.417 3.466 20 5 DGBDRO COc1ccc(OCC[NH2+]C2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000571601053 435720698 /nfs/dbraw/zinc/72/06/98/435720698.db2.gz LALILRSAMATJDY-STQMWFEESA-N 1 0 322.405 3.397 20 5 DGBDRO O=C(CC[N@H+](C1CC1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000548844498 435723005 /nfs/dbraw/zinc/72/30/05/435723005.db2.gz DAXIHNZECSLOCO-UHFFFAOYSA-N 1 0 317.389 3.330 20 5 DGBDRO C[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[NH+](C)C ZINC000491543670 435768272 /nfs/dbraw/zinc/76/82/72/435768272.db2.gz HACAFDZFTZQTCF-ZDUSSCGKSA-N 1 0 317.389 3.142 20 5 DGBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@]1(C)CCCO1 ZINC000551294999 435827395 /nfs/dbraw/zinc/82/73/95/435827395.db2.gz XWJNLDNVCMCUHE-NHYWBVRUSA-N 1 0 312.797 3.338 20 5 DGBDRO C[C@H](CN1CCC(C)CC1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572900432 435880586 /nfs/dbraw/zinc/88/05/86/435880586.db2.gz DYNKCQLLENXMRC-PBHICJAKSA-N 1 0 317.433 3.292 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160451084 304800022 /nfs/dbraw/zinc/80/00/22/304800022.db2.gz IMWOLGGOLWAJBS-CYBMUJFWSA-N 1 0 324.812 3.098 20 5 DGBDRO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376653100 312974170 /nfs/dbraw/zinc/97/41/70/312974170.db2.gz SLVKAYKLJXGIAQ-HOCLYGCPSA-N 1 0 318.421 3.421 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000532450451 313550022 /nfs/dbraw/zinc/55/00/22/313550022.db2.gz UZHKLDFITUVHBW-CYBMUJFWSA-N 1 0 314.389 3.215 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000535914746 313741541 /nfs/dbraw/zinc/74/15/41/313741541.db2.gz OCZDQHJIYIJOML-HNNXBMFYSA-N 1 0 303.406 3.071 20 5 DGBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000537312508 313807977 /nfs/dbraw/zinc/80/79/77/313807977.db2.gz XLTTWFMJMIFWSL-WRLNGNIRSA-N 1 0 304.390 3.403 20 5 DGBDRO Cc1nccn1C[C@@H](C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538310043 313856611 /nfs/dbraw/zinc/85/66/11/313856611.db2.gz FUPFAERPHOYICV-VSKVDJIOSA-N 1 0 314.389 3.039 20 5 DGBDRO Cc1cc(N[C@H](C)C[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542102185 314056867 /nfs/dbraw/zinc/05/68/67/314056867.db2.gz IVYXNJLPEFZNIS-RISCZKNCSA-N 1 0 315.373 3.243 20 5 DGBDRO Cc1ccc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000543049670 314111262 /nfs/dbraw/zinc/11/12/62/314111262.db2.gz WKIJJUJSQPMXNF-UHFFFAOYSA-N 1 0 322.368 3.231 20 5 DGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000548067053 314417237 /nfs/dbraw/zinc/41/72/37/314417237.db2.gz ZAFCHEZDOOKUGH-JKSUJKDBSA-N 1 0 306.406 3.321 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000550895620 314545103 /nfs/dbraw/zinc/54/51/03/314545103.db2.gz PPKIVJHVGLZRKJ-BBRMVZONSA-N 1 0 306.406 3.434 20 5 DGBDRO CC(=O)c1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000553414371 314643450 /nfs/dbraw/zinc/64/34/50/314643450.db2.gz VTJUJGCMVHGDBG-LBPRGKRZSA-N 1 0 307.394 3.186 20 5 DGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC1(C)C ZINC000554095374 314665953 /nfs/dbraw/zinc/66/59/53/314665953.db2.gz CXGCUGWVLRSQAH-BXUZGUMPSA-N 1 0 305.378 3.090 20 5 DGBDRO Cc1ccc2nc(C[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])cn2c1 ZINC000561469121 314970304 /nfs/dbraw/zinc/97/03/04/314970304.db2.gz ZPFFHTGOVCJJIS-XQRVVYSFSA-N 1 0 322.368 3.354 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccc2c(c1)CCO2 ZINC000565217545 315242852 /nfs/dbraw/zinc/24/28/52/315242852.db2.gz MDHWQQJJCFZKSN-QGZVFWFLSA-N 1 0 324.380 3.349 20 5 DGBDRO C[NH2+]CCCOc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000565420614 315260148 /nfs/dbraw/zinc/26/01/48/315260148.db2.gz KJLHYMGDAAWNAI-UHFFFAOYSA-N 1 0 300.358 3.174 20 5 DGBDRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565476562 315264287 /nfs/dbraw/zinc/26/42/87/315264287.db2.gz KWHNCYOYJGQJAN-GOEBONIOSA-N 1 0 322.405 3.059 20 5 DGBDRO Cc1nc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])sc1C ZINC000566475782 315350758 /nfs/dbraw/zinc/35/07/58/315350758.db2.gz PSPYUHQEYVILPL-CQSZACIVSA-N 1 0 317.414 3.488 20 5 DGBDRO Cc1nc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c(C)o1 ZINC000568410918 315510189 /nfs/dbraw/zinc/51/01/89/315510189.db2.gz BTRRIVIKXKHNDE-OAHLLOKOSA-N 1 0 301.346 3.019 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@H](F)C2)n1 ZINC000571208247 315704470 /nfs/dbraw/zinc/70/44/70/315704470.db2.gz MCYOAROQEHWCCJ-XDQVBPFNSA-N 1 0 310.373 3.145 20 5 DGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000574876291 316009781 /nfs/dbraw/zinc/00/97/81/316009781.db2.gz BTRSAJWZDLSFNP-AGIUHOORSA-N 1 0 323.368 3.182 20 5 DGBDRO CN(C)[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000576052117 316089398 /nfs/dbraw/zinc/08/93/98/316089398.db2.gz BLEOCNYDVXPFOA-GDBMZVCRSA-N 1 0 315.373 3.068 20 5 DGBDRO CCCC[NH+]1CCC(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577412846 316234379 /nfs/dbraw/zinc/23/43/79/316234379.db2.gz RCIIIKFFIBUJOZ-QGZVFWFLSA-N 1 0 317.433 3.436 20 5 DGBDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000577693149 316260092 /nfs/dbraw/zinc/26/00/92/316260092.db2.gz CFZDOJNEOZIZNK-HOCLYGCPSA-N 1 0 302.330 3.122 20 5 DGBDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183079181 323323756 /nfs/dbraw/zinc/32/37/56/323323756.db2.gz SJRCVUKBUYXXGW-VHSXEESVSA-N 1 0 313.785 3.211 20 5 DGBDRO C[C@H](NCC1(C[NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184473679 323366443 /nfs/dbraw/zinc/36/64/43/323366443.db2.gz HBLYSXHKSLZXTJ-AWEZNQCLSA-N 1 0 305.422 3.367 20 5 DGBDRO CCCC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC1 ZINC000184886864 323376754 /nfs/dbraw/zinc/37/67/54/323376754.db2.gz PTSJLMLQMCLWBM-HNNXBMFYSA-N 1 0 319.405 3.142 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000192800951 323458808 /nfs/dbraw/zinc/45/88/08/323458808.db2.gz WIXBJPGKAPFSBF-TZMCWYRMSA-N 1 0 319.405 3.400 20 5 DGBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000192800933 323459373 /nfs/dbraw/zinc/45/93/73/323459373.db2.gz WIXBJPGKAPFSBF-JSGCOSHPSA-N 1 0 319.405 3.400 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000581479380 324121176 /nfs/dbraw/zinc/12/11/76/324121176.db2.gz VTQXIINWWQPANF-GFCCVEGCSA-N 1 0 309.797 3.074 20 5 DGBDRO C[C@@H](Cc1ccsc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000581702703 324146845 /nfs/dbraw/zinc/14/68/45/324146845.db2.gz JDAKGNGCAIYMAR-LBPRGKRZSA-N 1 0 320.418 3.121 20 5 DGBDRO CC[NH+](CC)CCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000582730293 324267672 /nfs/dbraw/zinc/26/76/72/324267672.db2.gz REYDXZIJTXFRFO-CYBMUJFWSA-N 1 0 319.327 3.130 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000583631536 324377765 /nfs/dbraw/zinc/37/77/65/324377765.db2.gz DIMLORWAIPOPBB-PFWMLDTASA-N 1 0 309.369 3.493 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000583631533 324378040 /nfs/dbraw/zinc/37/80/40/324378040.db2.gz DIMLORWAIPOPBB-BBOMDTFKSA-N 1 0 309.369 3.493 20 5 DGBDRO CCn1cccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583674269 324383037 /nfs/dbraw/zinc/38/30/37/324383037.db2.gz HPVGJQHDMIAGKC-UHFFFAOYSA-N 1 0 312.373 3.230 20 5 DGBDRO CCc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)on1 ZINC000532517505 500745344 /nfs/dbraw/zinc/74/53/44/500745344.db2.gz HFBIYDQEVQLLDY-INIZCTEOSA-N 1 0 315.373 3.256 20 5 DGBDRO C[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000309874102 533745629 /nfs/dbraw/zinc/74/56/29/533745629.db2.gz HMCXXYCFKHRDPG-HNNXBMFYSA-N 1 0 313.401 3.205 20 5 DGBDRO C[C@H](CCCCO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000294923388 533857813 /nfs/dbraw/zinc/85/78/13/533857813.db2.gz BCXFJJUWXIZRCD-CYBMUJFWSA-N 1 0 318.373 3.496 20 5 DGBDRO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000192445141 533861820 /nfs/dbraw/zinc/86/18/20/533861820.db2.gz KDHNRHANZXNARS-OAHLLOKOSA-N 1 0 312.369 3.251 20 5 DGBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000331023117 533899929 /nfs/dbraw/zinc/89/99/29/533899929.db2.gz ZUMCYHKZGKEFAV-GFCCVEGCSA-N 1 0 319.405 3.352 20 5 DGBDRO COC(=O)c1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000026207628 534098369 /nfs/dbraw/zinc/09/83/69/534098369.db2.gz LBXOADWOSROAFD-UHFFFAOYSA-N 1 0 314.341 3.013 20 5 DGBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000443787479 534107596 /nfs/dbraw/zinc/10/75/96/534107596.db2.gz ILDPVBSSZSBGTK-JHJVRWKMSA-N 1 0 304.390 3.089 20 5 DGBDRO CC[NH+]1CCC(N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000157480482 521563896 /nfs/dbraw/zinc/56/38/96/521563896.db2.gz HLLFBXNSSIKXOQ-UHFFFAOYSA-N 1 0 311.813 3.164 20 5 DGBDRO C[N@H+](CCOCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000154518682 522899573 /nfs/dbraw/zinc/89/95/73/522899573.db2.gz CCYHNYXDYIRKCY-UHFFFAOYSA-N 1 0 300.358 3.243 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CO)C3)o2)cc1 ZINC000154609342 534881220 /nfs/dbraw/zinc/88/12/20/534881220.db2.gz IDJXDILHXMNEIY-CYBMUJFWSA-N 1 0 316.357 3.059 20 5 DGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148454646 526249203 /nfs/dbraw/zinc/24/92/03/526249203.db2.gz HHZKJWXZFBHAAI-NSHDSACASA-N 1 0 312.801 3.320 20 5 DGBDRO CC(=O)c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433802229 527316437 /nfs/dbraw/zinc/31/64/37/527316437.db2.gz OLSJVDWJFWBQLE-OAHLLOKOSA-N 1 0 317.389 3.226 20 5 DGBDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415034875 527795277 /nfs/dbraw/zinc/79/52/77/527795277.db2.gz IJBKDHABHRFIFE-MRXNPFEDSA-N 1 0 315.373 3.085 20 5 DGBDRO CC(C)OC1CC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000428078663 527878642 /nfs/dbraw/zinc/87/86/42/527878642.db2.gz SLVKBKAISNTQOI-UHFFFAOYSA-N 1 0 306.406 3.463 20 5 DGBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000314550622 528113536 /nfs/dbraw/zinc/11/35/36/528113536.db2.gz YUPNPZLVORTTRN-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DGBDRO CC[NH+](CC)Cc1cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000294510331 528196487 /nfs/dbraw/zinc/19/64/87/528196487.db2.gz VWJVCRPAMBLQPE-UHFFFAOYSA-N 1 0 321.421 3.302 20 5 DGBDRO CC1CC[NH+](CCCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413070352 528237675 /nfs/dbraw/zinc/23/76/75/528237675.db2.gz YRIGHSSMICJKDO-UHFFFAOYSA-N 1 0 310.373 3.053 20 5 DGBDRO CC1CCN(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429249807 528246248 /nfs/dbraw/zinc/24/62/48/528246248.db2.gz UQWZZYNUBVGMIK-UHFFFAOYSA-N 1 0 305.422 3.151 20 5 DGBDRO CCC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191826852 528534151 /nfs/dbraw/zinc/53/41/51/528534151.db2.gz CWMDYIHUVAEAAX-GFCCVEGCSA-N 1 0 307.394 3.338 20 5 DGBDRO CCOc1cccc(NCC[N@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000302144937 528674233 /nfs/dbraw/zinc/67/42/33/528674233.db2.gz IWLIIESMDMMHQW-UHFFFAOYSA-N 1 0 305.378 3.057 20 5 DGBDRO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)CO ZINC000292811496 528768355 /nfs/dbraw/zinc/76/83/55/528768355.db2.gz OTTSLXJHCWFBLX-GFCCVEGCSA-N 1 0 304.346 3.058 20 5 DGBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413181784 529071609 /nfs/dbraw/zinc/07/16/09/529071609.db2.gz KAILRTSWPLZVAT-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000444647476 529139376 /nfs/dbraw/zinc/13/93/76/529139376.db2.gz VMNOUWFFIBGCJM-OAHLLOKOSA-N 1 0 322.405 3.299 20 5 DGBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413311596 529356513 /nfs/dbraw/zinc/35/65/13/529356513.db2.gz DWKLHQXYENRUER-CYBMUJFWSA-N 1 0 314.389 3.064 20 5 DGBDRO CC[NH+](CC)[C@@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470175707 535663569 /nfs/dbraw/zinc/66/35/69/535663569.db2.gz RREJSTYIDIJCBV-HAZIXKIPSA-N 1 0 317.433 3.414 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](O)CC ZINC000449639726 535805802 /nfs/dbraw/zinc/80/58/02/535805802.db2.gz QEKJXODEYGLXCR-CVEARBPZSA-N 1 0 318.373 3.494 20 5 DGBDRO CCn1nccc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505877 535868899 /nfs/dbraw/zinc/86/88/99/535868899.db2.gz YEWHHZFOVYVFDB-HNNXBMFYSA-N 1 0 314.389 3.191 20 5 DGBDRO CCc1noc(C)c1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449341193 535884883 /nfs/dbraw/zinc/88/48/83/535884883.db2.gz SHFNUOWICYEJKG-LLVKDONJSA-N 1 0 303.362 3.174 20 5 DGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1O ZINC000449112023 536896858 /nfs/dbraw/zinc/89/68/58/536896858.db2.gz OZYKYEHUVQPMHG-LBPRGKRZSA-N 1 0 316.357 3.030 20 5 DGBDRO COc1ccc2c(c1)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000196434059 546256310 /nfs/dbraw/zinc/25/63/10/546256310.db2.gz ADDSYYRAUFMZJF-UHFFFAOYSA-N 1 0 312.369 3.204 20 5 DGBDRO CC[C@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)[NH+]1CCCC1 ZINC000731206960 574545340 /nfs/dbraw/zinc/54/53/40/574545340.db2.gz XIWUXCQGZHAFOT-LLVKDONJSA-N 1 0 320.418 3.491 20 5 DGBDRO CC[N@@H+]1CCCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000732050421 574565586 /nfs/dbraw/zinc/56/55/86/574565586.db2.gz PBLAVPLJAODYSN-LBPRGKRZSA-N 1 0 320.418 3.491 20 5 DGBDRO CC[C@H](C)C[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000732182435 574567463 /nfs/dbraw/zinc/56/74/63/574567463.db2.gz BRAUWTSVYJOARW-ZDUSSCGKSA-N 1 0 302.378 3.394 20 5 DGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000732918003 574587392 /nfs/dbraw/zinc/58/73/92/574587392.db2.gz YAWUTVRXYBZUDC-BMIGLBTASA-N 1 0 322.311 3.257 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000732918005 574587558 /nfs/dbraw/zinc/58/75/58/574587558.db2.gz YAWUTVRXYBZUDC-MEBBXXQBSA-N 1 0 322.311 3.257 20 5 DGBDRO Cc1c(COC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000741016968 574949043 /nfs/dbraw/zinc/94/90/43/574949043.db2.gz KTMNTUCJTDJXFH-SCRDCRAPSA-N 1 0 320.389 3.208 20 5 DGBDRO CC[C@]1(C)CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000743386832 575048363 /nfs/dbraw/zinc/04/83/63/575048363.db2.gz ZZJYQMDWWRNKGQ-MRXNPFEDSA-N 1 0 302.378 3.414 20 5 DGBDRO CC[C@@]1(C)CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000743390122 575049011 /nfs/dbraw/zinc/04/90/11/575049011.db2.gz ZUQPDXZSHUFWGI-INIZCTEOSA-N 1 0 302.378 3.414 20 5 DGBDRO C[C@H]1C[C@H](C)[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000740859993 575226866 /nfs/dbraw/zinc/22/68/66/575226866.db2.gz ODVFPBJHONCMDU-STQMWFEESA-N 1 0 300.362 3.146 20 5 DGBDRO C[C@@H]([NH2+][C@H](CCO)c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000746049705 575428611 /nfs/dbraw/zinc/42/86/11/575428611.db2.gz WGKNGDSYDQJUAF-DGCLKSJQSA-N 1 0 306.387 3.431 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000746048892 575428913 /nfs/dbraw/zinc/42/89/13/575428913.db2.gz LPKSVQVVIOWSAA-BDJLRTHQSA-N 1 0 304.321 3.118 20 5 DGBDRO C[C@@H]([NH2+][C@@H](CCO)c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000746049707 575429135 /nfs/dbraw/zinc/42/91/35/575429135.db2.gz WGKNGDSYDQJUAF-YPMHNXCESA-N 1 0 306.387 3.431 20 5 DGBDRO COC(=O)CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000746674358 575468726 /nfs/dbraw/zinc/46/87/26/575468726.db2.gz VLTQOKIIXMGUMV-UHFFFAOYSA-N 1 0 314.769 3.022 20 5 DGBDRO C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000746985950 575488114 /nfs/dbraw/zinc/48/81/14/575488114.db2.gz TZXOQAVMAIJJRM-TUAOUCFPSA-N 1 0 324.352 3.038 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3F)cc1 ZINC000747815919 575543086 /nfs/dbraw/zinc/54/30/86/575543086.db2.gz YRXNKOCQENHLCN-SJORKVTESA-N 1 0 316.332 3.044 20 5 DGBDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000749155944 575631452 /nfs/dbraw/zinc/63/14/52/575631452.db2.gz KRQNJNHFOICMRH-SJCJKPOMSA-N 1 0 324.396 3.401 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000749279128 575641477 /nfs/dbraw/zinc/64/14/77/575641477.db2.gz DXAQQZZQHQLMDT-MNOVXSKESA-N 1 0 320.418 3.489 20 5 DGBDRO C[C@H](Cc1ccncc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000749296040 575643207 /nfs/dbraw/zinc/64/32/07/575643207.db2.gz NLRATPQJXSMTQE-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc1Cl ZINC000749556657 575664393 /nfs/dbraw/zinc/66/43/93/575664393.db2.gz CFTZWGYKYMVEOH-KBPBESRZSA-N 1 0 324.808 3.497 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000749559008 575665145 /nfs/dbraw/zinc/66/51/45/575665145.db2.gz KPGHKJPTFATLHE-QWHCGFSZSA-N 1 0 324.808 3.497 20 5 DGBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000749676394 575671968 /nfs/dbraw/zinc/67/19/68/575671968.db2.gz MTTCOGMXGHCRGL-QGZVFWFLSA-N 1 0 300.358 3.035 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](C2CC2)C2CCCCC2)c1 ZINC000750039851 575699357 /nfs/dbraw/zinc/69/93/57/575699357.db2.gz LKKSKMQLANBWFW-KRWDZBQOSA-N 1 0 304.390 3.425 20 5 DGBDRO C[NH+](C)C1(CNc2nc3ccc([N+](=O)[O-])cc3s2)CCCC1 ZINC000111120490 620673940 /nfs/dbraw/zinc/67/39/40/620673940.db2.gz WMHWYECWUNLUCT-UHFFFAOYSA-N 1 0 320.418 3.491 20 5 DGBDRO CN(CC1CC[NH+](C)CC1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853268902 620683354 /nfs/dbraw/zinc/68/33/54/620683354.db2.gz HHAOLWDOQINMRJ-UHFFFAOYSA-N 1 0 313.348 3.310 20 5 DGBDRO CCCCCC[N@H+](C)CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000111572130 620736388 /nfs/dbraw/zinc/73/63/88/620736388.db2.gz ZWEXHFJCAHALEI-CQSZACIVSA-N 1 0 321.421 3.284 20 5 DGBDRO COCCCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC000892935633 618357472 /nfs/dbraw/zinc/35/74/72/618357472.db2.gz BOHVJXQFCWNPPH-UHFFFAOYSA-N 1 0 322.405 3.290 20 5 DGBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893267127 618491539 /nfs/dbraw/zinc/49/15/39/618491539.db2.gz SDYRPZKVDWPPLX-YGRLFVJLSA-N 1 0 324.764 3.443 20 5 DGBDRO C[C@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000893278775 618494474 /nfs/dbraw/zinc/49/44/74/618494474.db2.gz JHZZEKNARBELHL-OUJBWJOFSA-N 1 0 313.195 3.419 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCc1ccc(CO)cc1 ZINC000893303246 618504186 /nfs/dbraw/zinc/50/41/86/618504186.db2.gz QHZGYDZSQPDVFU-UHFFFAOYSA-N 1 0 320.776 3.073 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCC[C@H]2CCCO)c1 ZINC000925640058 618517368 /nfs/dbraw/zinc/51/73/68/618517368.db2.gz FTSRDQBCYSDQLN-DOTOQJQBSA-N 1 0 306.406 3.058 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCC[C@@H]2CCCO)c1 ZINC000925640062 618518102 /nfs/dbraw/zinc/51/81/02/618518102.db2.gz FTSRDQBCYSDQLN-WBVHZDCISA-N 1 0 306.406 3.058 20 5 DGBDRO CC1=NO[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000895309613 618592992 /nfs/dbraw/zinc/59/29/92/618592992.db2.gz CWQQGOOBKRFYOZ-OAHLLOKOSA-N 1 0 315.329 3.109 20 5 DGBDRO CC1=NO[C@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000895310420 618593109 /nfs/dbraw/zinc/59/31/09/618593109.db2.gz GTCCOYRUTHRHDB-HNNXBMFYSA-N 1 0 315.329 3.109 20 5 DGBDRO Cc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cnc1F ZINC000894273785 618748773 /nfs/dbraw/zinc/74/87/73/618748773.db2.gz VLMZZDGTVJWVSO-UHFFFAOYSA-N 1 0 303.337 3.112 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CSC3)o2)cc1 ZINC000895422687 618783663 /nfs/dbraw/zinc/78/36/63/618783663.db2.gz NPRPAESPYRNZFS-UHFFFAOYSA-N 1 0 304.371 3.307 20 5 DGBDRO CC(C)([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000895657679 618812932 /nfs/dbraw/zinc/81/29/32/618812932.db2.gz CYSWAXRWECDOKQ-AWEZNQCLSA-N 1 0 306.387 3.258 20 5 DGBDRO CC1([NH+]2CCC2)CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000895671570 618816417 /nfs/dbraw/zinc/81/64/17/618816417.db2.gz QZAMVOBHFZMFAH-QPJJXVBHSA-N 1 0 315.417 3.168 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC3(COC3)CC2)cc1Cl ZINC000895695288 618820187 /nfs/dbraw/zinc/82/01/87/618820187.db2.gz UFCPTXCTELRKFX-UHFFFAOYSA-N 1 0 310.781 3.297 20 5 DGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000895831987 618839212 /nfs/dbraw/zinc/83/92/12/618839212.db2.gz BOOSSKZDOSMCDX-ZFWWWQNUSA-N 1 0 324.808 3.401 20 5 DGBDRO Cc1ccc(N[C@H](CC[NH+](C)C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000895890962 618846355 /nfs/dbraw/zinc/84/63/55/618846355.db2.gz GFYSUQFINDOHOK-OAHLLOKOSA-N 1 0 314.389 3.403 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000895892020 618846499 /nfs/dbraw/zinc/84/64/99/618846499.db2.gz MMRSIYCVEUAZPH-HNNXBMFYSA-N 1 0 314.389 3.403 20 5 DGBDRO C[NH+](C)CC[C@@H](Nc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000895890620 618846506 /nfs/dbraw/zinc/84/65/06/618846506.db2.gz BLKYFHSSIXXYAQ-CQSZACIVSA-N 1 0 300.362 3.095 20 5 DGBDRO C[NH+](C)CC[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000895891983 618846532 /nfs/dbraw/zinc/84/65/32/618846532.db2.gz MGBZWPANZMIEOF-INIZCTEOSA-N 1 0 300.362 3.095 20 5 DGBDRO C[C@H]1[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1C ZINC000896555892 618928309 /nfs/dbraw/zinc/92/83/09/618928309.db2.gz RQECZMDLDGZNQW-UFBFGSQYSA-N 1 0 318.204 3.084 20 5 DGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000896951790 618993026 /nfs/dbraw/zinc/99/30/26/618993026.db2.gz LUGPNBMLTJQNLK-ZJUUUORDSA-N 1 0 307.375 3.110 20 5 DGBDRO CC1(C)C[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000897225347 619031725 /nfs/dbraw/zinc/03/17/25/619031725.db2.gz KRHBDXVDLMRXDH-AWEZNQCLSA-N 1 0 306.406 3.321 20 5 DGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000897451916 619129323 /nfs/dbraw/zinc/12/93/23/619129323.db2.gz SBOXOKFOHWUGNP-UHFFFAOYSA-N 1 0 310.369 3.276 20 5 DGBDRO C[C@H](C[NH2+]Cc1cnn(C2CCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000897459942 619129886 /nfs/dbraw/zinc/12/98/86/619129886.db2.gz POLQHEWAZBMNTJ-CYBMUJFWSA-N 1 0 314.389 3.410 20 5 DGBDRO CC(C)c1nnc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897459623 619130194 /nfs/dbraw/zinc/13/01/94/619130194.db2.gz NJTZSWPOHCBZEM-NSHDSACASA-N 1 0 320.418 3.463 20 5 DGBDRO C[C@H](CSCCF)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459695 619130303 /nfs/dbraw/zinc/13/03/03/619130303.db2.gz BUOKZMMXIKOCKX-VXGBXAGGSA-N 1 0 300.399 3.379 20 5 DGBDRO CCn1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000897460167 619130292 /nfs/dbraw/zinc/13/02/92/619130292.db2.gz QVFUQHDNNRZHCM-GFCCVEGCSA-N 1 0 302.378 3.013 20 5 DGBDRO C[C@@H]1CC2(CC([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)CO1 ZINC000897776839 619179569 /nfs/dbraw/zinc/17/95/69/619179569.db2.gz YDKAENUZIVWNFH-FGUMPLJBSA-N 1 0 302.374 3.129 20 5 DGBDRO CC1(C)C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000897793304 619183031 /nfs/dbraw/zinc/18/30/31/619183031.db2.gz LSIVXHPUQULUGJ-JTQLQIEISA-N 1 0 321.402 3.500 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CC(CCO)C3)o2)c1 ZINC000898008382 619201487 /nfs/dbraw/zinc/20/14/87/619201487.db2.gz ORDWAAQTYUQXKY-UHFFFAOYSA-N 1 0 316.357 3.105 20 5 DGBDRO Cc1c(CN2CCC([NH2+]C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000897979084 619202654 /nfs/dbraw/zinc/20/26/54/619202654.db2.gz XNMXPXJFTPLBFS-UHFFFAOYSA-N 1 0 303.406 3.010 20 5 DGBDRO Cc1nc2ccccn2c1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000898271928 619230941 /nfs/dbraw/zinc/23/09/41/619230941.db2.gz MNJSIYSIOQWCRK-OAHLLOKOSA-N 1 0 322.368 3.328 20 5 DGBDRO CC(C)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000927068503 619261846 /nfs/dbraw/zinc/26/18/46/619261846.db2.gz RYINRQLKRFEWKJ-WBMJQRKESA-N 1 0 302.378 3.376 20 5 DGBDRO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1cccc([N+](=O)[O-])c1 ZINC000902438267 619636111 /nfs/dbraw/zinc/63/61/11/619636111.db2.gz LWPSKCUSLOWQJO-KZNAEPCWSA-N 1 0 311.385 3.260 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000902766660 619672955 /nfs/dbraw/zinc/67/29/55/619672955.db2.gz PDXXISAXMSYQJC-QVJNKELMSA-N 1 0 302.374 3.059 20 5 DGBDRO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903081620 619712619 /nfs/dbraw/zinc/71/26/19/619712619.db2.gz WAPLRXXOBDBDTO-IICXIOTHSA-N 1 0 315.417 3.403 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc([N+](=O)[O-])c1 ZINC000903099673 619716487 /nfs/dbraw/zinc/71/64/87/619716487.db2.gz LIFCKDOKTFGLFM-LTTZEQNMSA-N 1 0 320.389 3.068 20 5 DGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903103816 619717188 /nfs/dbraw/zinc/71/71/88/619717188.db2.gz AIGRCWJYWXUUCY-SGMGOOAPSA-N 1 0 310.394 3.051 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CCNc2ccccc2)cc([N+](=O)[O-])c1 ZINC000903106351 619717871 /nfs/dbraw/zinc/71/78/71/619717871.db2.gz HOSCPOOOFBHLDA-ZDUSSCGKSA-N 1 0 315.373 3.366 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903127996 619722626 /nfs/dbraw/zinc/72/26/26/619722626.db2.gz PRHPWEYSBQDCNE-DGCLKSJQSA-N 1 0 308.378 3.212 20 5 DGBDRO COc1cc([C@H](C)[NH2+]Cc2cncc(C)c2)cc([N+](=O)[O-])c1 ZINC000903132272 619723331 /nfs/dbraw/zinc/72/33/31/619723331.db2.gz XJMRZPVPGSWYPO-LBPRGKRZSA-N 1 0 301.346 3.158 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@H](OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903187749 619736883 /nfs/dbraw/zinc/73/68/83/619736883.db2.gz WODWDVWOYJIVHD-MMPTUQATSA-N 1 0 308.378 3.068 20 5 DGBDRO COc1cc([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)cc([N+](=O)[O-])c1 ZINC000903205266 619737912 /nfs/dbraw/zinc/73/79/12/619737912.db2.gz GSUKBPPRVGAPTD-GXSJLCMTSA-N 1 0 300.305 3.299 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903205848 619738434 /nfs/dbraw/zinc/73/84/34/619738434.db2.gz GGTQWIGOPALXEY-VZTWBHMWSA-N 1 0 308.378 3.066 20 5 DGBDRO CC(C)[C@@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000903246367 619742526 /nfs/dbraw/zinc/74/25/26/619742526.db2.gz TYUOAILPTFFTEK-SUMWQHHRSA-N 1 0 316.405 3.419 20 5 DGBDRO CC(C)[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000903246365 619742724 /nfs/dbraw/zinc/74/27/24/619742724.db2.gz TYUOAILPTFFTEK-DYVFJYSZSA-N 1 0 316.405 3.419 20 5 DGBDRO C[C@H](C[NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000903244739 619743218 /nfs/dbraw/zinc/74/32/18/619743218.db2.gz CJOQWUWYCUNHKQ-DYEKYZERSA-N 1 0 300.362 3.190 20 5 DGBDRO C[C@@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC000903244880 619743744 /nfs/dbraw/zinc/74/37/44/619743744.db2.gz FWPNTXCRAGLOID-SMDDNHRTSA-N 1 0 300.362 3.089 20 5 DGBDRO COc1cc([C@@H](C)[NH2+][C@@H](CCO)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000903296530 619752733 /nfs/dbraw/zinc/75/27/33/619752733.db2.gz KITBLFLQZMJCRT-PXAZEXFGSA-N 1 0 322.405 3.195 20 5 DGBDRO CO[C@@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCSC1 ZINC000903310623 619757434 /nfs/dbraw/zinc/75/74/34/619757434.db2.gz MWXQIVXEBQHJQK-SWLSCSKDSA-N 1 0 310.419 3.076 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCOC12CCCC2 ZINC000903388979 619770586 /nfs/dbraw/zinc/77/05/86/619770586.db2.gz NQTCXVQDBYXNFY-LRDDRELGSA-N 1 0 322.380 3.356 20 5 DGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCOC23CCCC3)cc([N+](=O)[O-])c1 ZINC000903390357 619770986 /nfs/dbraw/zinc/77/09/86/619770986.db2.gz VDFPYIZSNWVDNX-BLLLJJGKSA-N 1 0 320.389 3.356 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@H](O)C1CC1)CCCC2 ZINC000903406212 619771416 /nfs/dbraw/zinc/77/14/16/619771416.db2.gz HKKPACDXNNVNKV-IRXDYDNUSA-N 1 0 304.390 3.113 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H](O)C1CC1 ZINC000903410356 619772393 /nfs/dbraw/zinc/77/23/93/619772393.db2.gz GOBBUODXNPYCKQ-YGRLFVJLSA-N 1 0 310.419 3.128 20 5 DGBDRO Cc1ncccc1CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000903418686 619773318 /nfs/dbraw/zinc/77/33/18/619773318.db2.gz NOPLJENJMHVKEJ-LBPRGKRZSA-N 1 0 303.337 3.331 20 5 DGBDRO C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903427504 619774450 /nfs/dbraw/zinc/77/44/50/619774450.db2.gz GZWXYUCHRZDYPL-DIFFPNOSSA-N 1 0 312.373 3.374 20 5 DGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC1CCSCC1 ZINC000903443508 619777719 /nfs/dbraw/zinc/77/77/19/619777719.db2.gz HSFGVVOJOJMFKY-CYBMUJFWSA-N 1 0 324.446 3.466 20 5 DGBDRO Cc1c([C@H](C)[NH2+]CCOC2CCSCC2)cccc1[N+](=O)[O-] ZINC000903443375 619777843 /nfs/dbraw/zinc/77/78/43/619777843.db2.gz GWUNWEWESAZDQP-ZDUSSCGKSA-N 1 0 324.446 3.466 20 5 DGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000903451382 619778945 /nfs/dbraw/zinc/77/89/45/619778945.db2.gz URWWXPPQFHXAGY-MCIONIFRSA-N 1 0 320.389 3.286 20 5 DGBDRO [NH3+]CC1([C@H]2CCCCN2Cc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000903815409 619814399 /nfs/dbraw/zinc/81/43/99/619814399.db2.gz QWWXDPUPIUDBJV-MRXNPFEDSA-N 1 0 321.396 3.217 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959900 619839888 /nfs/dbraw/zinc/83/98/88/619839888.db2.gz RMTUDJUTMNKJCV-LZCIBIBXSA-N 1 0 315.417 3.074 20 5 DGBDRO CC(C)(CCc1noc([C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)n1)[N+](=O)[O-] ZINC000904121376 619880520 /nfs/dbraw/zinc/88/05/20/619880520.db2.gz PDIGXYVMXJQKBF-UPJWGTAASA-N 1 0 322.409 3.041 20 5 DGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@]1(C)CCC[NH2+]C1 ZINC000904305096 619911203 /nfs/dbraw/zinc/91/12/03/619911203.db2.gz DEWZTFLYXXERNP-HNNXBMFYSA-N 1 0 311.813 3.070 20 5 DGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@]1(C)CCC[NH2+]C1 ZINC000904305097 619911348 /nfs/dbraw/zinc/91/13/48/619911348.db2.gz DEWZTFLYXXERNP-OAHLLOKOSA-N 1 0 311.813 3.070 20 5 DGBDRO CC[NH2+]Cc1cc(-c2cc([N+](=O)[O-])ccc2CCO)ccc1F ZINC000904814524 619951473 /nfs/dbraw/zinc/95/14/73/619951473.db2.gz ZOIFFKFAHCMMQG-UHFFFAOYSA-N 1 0 318.348 3.045 20 5 DGBDRO CC(C)[NH2+]Cc1cc(-c2cc([N+](=O)[O-])ccc2CO)ccc1F ZINC000904796618 619952148 /nfs/dbraw/zinc/95/21/48/619952148.db2.gz MLVBNFDJOVTKBV-UHFFFAOYSA-N 1 0 318.348 3.391 20 5 DGBDRO CC[NH2+]Cc1cc(-c2cc([N+](=O)[O-])ccc2CO)ccc1F ZINC000904796309 619952154 /nfs/dbraw/zinc/95/21/54/619952154.db2.gz IGGQBOHVKNOSAL-UHFFFAOYSA-N 1 0 304.321 3.003 20 5 DGBDRO Cc1ccc(-c2ccc([C@]3(O)CCC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC000904804599 619952962 /nfs/dbraw/zinc/95/29/62/619952962.db2.gz CPDLRKZBDNMGHU-SFHVURJKSA-N 1 0 312.369 3.141 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000905645301 620016348 /nfs/dbraw/zinc/01/63/48/620016348.db2.gz WBEFWAAGKAIRPO-KBXCAEBGSA-N 1 0 314.385 3.330 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@H]2CCC(F)(F)C2)cc1 ZINC000905674860 620017700 /nfs/dbraw/zinc/01/77/00/620017700.db2.gz JWVCYJVVKDGKOF-BXUZGUMPSA-N 1 0 314.332 3.043 20 5 DGBDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000905738620 620024453 /nfs/dbraw/zinc/02/44/53/620024453.db2.gz DYVANZVYJCKSAA-CZUORRHYSA-N 1 0 300.362 3.017 20 5 DGBDRO CC(C)N1CCC[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000923761928 620834183 /nfs/dbraw/zinc/83/41/83/620834183.db2.gz WXQJKRSRZVFZQP-CQSZACIVSA-N 1 0 316.361 3.114 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000922315799 621022793 /nfs/dbraw/zinc/02/27/93/621022793.db2.gz GRATXSXTWOTIIP-ARFHVFGLSA-N 1 0 304.390 3.198 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2OCCc3sccc32)c(F)c1 ZINC000922434937 621038519 /nfs/dbraw/zinc/03/85/19/621038519.db2.gz DAKIJTFETYTELR-AWEZNQCLSA-N 1 0 322.361 3.199 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cs1 ZINC000922676510 621079155 /nfs/dbraw/zinc/07/91/55/621079155.db2.gz AMJHFJUREKDBTJ-NXEZZACHSA-N 1 0 324.324 3.246 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000922695790 621083151 /nfs/dbraw/zinc/08/31/51/621083151.db2.gz NVAAAFDZGGGBNA-QWHCGFSZSA-N 1 0 318.295 3.184 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000922697769 621084015 /nfs/dbraw/zinc/08/40/15/621084015.db2.gz VDKDLPSDUSFWRC-OLZOCXBDSA-N 1 0 318.295 3.184 20 5 DGBDRO CCc1onc(C)c1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000922982824 621141797 /nfs/dbraw/zinc/14/17/97/621141797.db2.gz VGSVSDXZXDGIQM-UHFFFAOYSA-N 1 0 303.362 3.360 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@H]3CCCCO3)CC2)c(Cl)c1 ZINC000923029800 621150279 /nfs/dbraw/zinc/15/02/79/621150279.db2.gz KNEKHBNZZGELQU-CQSZACIVSA-N 1 0 310.781 3.440 20 5 DGBDRO CCC(F)(F)C(C)(C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000858128230 621155590 /nfs/dbraw/zinc/15/55/90/621155590.db2.gz FSEAVNFUXAOIBE-ZDUSSCGKSA-N 1 0 316.348 3.289 20 5 DGBDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000858505280 621199273 /nfs/dbraw/zinc/19/92/73/621199273.db2.gz HSLTUPGHKNZNJC-OCCSQVGLSA-N 1 0 318.373 3.206 20 5 DGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000754678416 621523894 /nfs/dbraw/zinc/52/38/94/621523894.db2.gz DIOIAKPPVHKCBO-SMDDNHRTSA-N 1 0 306.387 3.349 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000756903084 621671948 /nfs/dbraw/zinc/67/19/48/621671948.db2.gz ZIISGRHOSMQKKK-NHYWBVRUSA-N 1 0 310.781 3.249 20 5 DGBDRO C[NH2+]C[C@H](C)c1noc(-c2cc([N+](=O)[O-])cc3ccccc32)n1 ZINC000863657529 621695021 /nfs/dbraw/zinc/69/50/21/621695021.db2.gz UBCZQEHLJKFTCI-JTQLQIEISA-N 1 0 312.329 3.121 20 5 DGBDRO C[NH+](C)Cc1cccc(NCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000864003773 621726300 /nfs/dbraw/zinc/72/63/00/621726300.db2.gz OMNLYLWHUQLLDU-UHFFFAOYSA-N 1 0 303.337 3.408 20 5 DGBDRO C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000758998512 621817626 /nfs/dbraw/zinc/81/76/26/621817626.db2.gz CMIYPTIHXONEGE-LBPRGKRZSA-N 1 0 302.378 3.270 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000759710827 621884812 /nfs/dbraw/zinc/88/48/12/621884812.db2.gz GXNTWONFOYGSJC-CYBMUJFWSA-N 1 0 318.760 3.211 20 5 DGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000760127112 621916683 /nfs/dbraw/zinc/91/66/83/621916683.db2.gz NDAXKIIQOZCHFP-VSGCLNPGSA-N 1 0 318.373 3.026 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c(Cl)c1 ZINC000865782882 621994943 /nfs/dbraw/zinc/99/49/43/621994943.db2.gz CPPWGQAMYDYUEL-ZFWWWQNUSA-N 1 0 324.808 3.401 20 5 DGBDRO COc1cc(C[NH2+]CC(C)(C)C(C)(F)F)c([N+](=O)[O-])cc1O ZINC000865789655 621996371 /nfs/dbraw/zinc/99/63/71/621996371.db2.gz LPYGEYVSDQGACK-UHFFFAOYSA-N 1 0 318.320 3.080 20 5 DGBDRO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000865807284 621999073 /nfs/dbraw/zinc/99/90/73/621999073.db2.gz YNQDIEWNFJIAHV-KRWDZBQOSA-N 1 0 315.348 3.010 20 5 DGBDRO Cc1cc(OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000789594248 625532368 /nfs/dbraw/zinc/53/23/68/625532368.db2.gz FABZSUKNSIUQEZ-UHFFFAOYSA-N 1 0 303.274 3.094 20 5 DGBDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000865872304 622012690 /nfs/dbraw/zinc/01/26/90/622012690.db2.gz KLQQAMVYXSRWOD-JSGCOSHPSA-N 1 0 318.373 3.494 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCSCC2)cc1Cl ZINC000761519699 622014259 /nfs/dbraw/zinc/01/42/59/622014259.db2.gz DMOHWYVVDNLXDI-UHFFFAOYSA-N 1 0 300.811 3.481 20 5 DGBDRO C[NH+]1CCC2(CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000866051618 622037941 /nfs/dbraw/zinc/03/79/41/622037941.db2.gz GRYPGAKUMHGIAN-UHFFFAOYSA-N 1 0 307.369 3.046 20 5 DGBDRO Cc1nc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000866240053 622073830 /nfs/dbraw/zinc/07/38/30/622073830.db2.gz WLARMHCFZVMMPR-VIFPVBQESA-N 1 0 309.366 3.220 20 5 DGBDRO Cc1noc(C)c1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866243714 622074884 /nfs/dbraw/zinc/07/48/84/622074884.db2.gz XQFBMCWDNMGRRS-SECBINFHSA-N 1 0 307.325 3.060 20 5 DGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866259906 622078583 /nfs/dbraw/zinc/07/85/83/622078583.db2.gz QYHLXTLQTSYWQO-GHMZBOCLSA-N 1 0 320.368 3.058 20 5 DGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866275657 622082879 /nfs/dbraw/zinc/08/28/79/622082879.db2.gz DAABHNRHVHGMQF-TYNCELHUSA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)C1CCOCC1 ZINC000866285087 622084661 /nfs/dbraw/zinc/08/46/61/622084661.db2.gz DEJDNWLJAPJKEN-VXGBXAGGSA-N 1 0 310.369 3.070 20 5 DGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cs1 ZINC000762615548 622086428 /nfs/dbraw/zinc/08/64/28/622086428.db2.gz OUORFFYYSDMDAI-CKYFFXLPSA-N 1 0 316.473 3.126 20 5 DGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1[N+](=O)[O-] ZINC000762614591 622086656 /nfs/dbraw/zinc/08/66/56/622086656.db2.gz OVHOTKVTIKGKOR-BPLDGKMQSA-N 1 0 324.471 3.372 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)CC(C)(C)C ZINC000866308128 622090133 /nfs/dbraw/zinc/09/01/33/622090133.db2.gz QNEAAZOHQOWABC-RISCZKNCSA-N 1 0 312.385 3.052 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000866311713 622091227 /nfs/dbraw/zinc/09/12/27/622091227.db2.gz VHKJIHZIGQWCDG-SMDDNHRTSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000866335993 622096177 /nfs/dbraw/zinc/09/61/77/622096177.db2.gz GQTGLXNBSDSKHJ-YRGRVCCFSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000866344228 622098533 /nfs/dbraw/zinc/09/85/33/622098533.db2.gz SAUFEQODJKDJFX-BXUZGUMPSA-N 1 0 310.369 3.212 20 5 DGBDRO COCC1(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866364939 622103563 /nfs/dbraw/zinc/10/35/63/622103563.db2.gz SYJSJOWUHQMEQC-CYBMUJFWSA-N 1 0 324.396 3.461 20 5 DGBDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866373235 622105595 /nfs/dbraw/zinc/10/55/95/622105595.db2.gz MHVXUHVBFHJZKD-PEBVRCNWSA-N 1 0 324.396 3.458 20 5 DGBDRO CCCc1ncc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000866372850 622105710 /nfs/dbraw/zinc/10/57/10/622105710.db2.gz VGWVRUUXLGDSHS-NSHDSACASA-N 1 0 321.352 3.395 20 5 DGBDRO COC1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866373049 622105727 /nfs/dbraw/zinc/10/57/27/622105727.db2.gz VBSNEWLWGYSYSB-QGLTVNCISA-N 1 0 310.369 3.212 20 5 DGBDRO COC1([C@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866374549 622106087 /nfs/dbraw/zinc/10/60/87/622106087.db2.gz JXPRBPGGMLTWSG-NEPJUHHUSA-N 1 0 310.369 3.212 20 5 DGBDRO C[C@H](COCC1CC1)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866383465 622107786 /nfs/dbraw/zinc/10/77/86/622107786.db2.gz MNZODMMKWFKJFP-VXGBXAGGSA-N 1 0 310.369 3.070 20 5 DGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCc1ccco1 ZINC000866391826 622109307 /nfs/dbraw/zinc/10/93/07/622109307.db2.gz QLNWHWPOGFZPAD-LBPRGKRZSA-N 1 0 306.337 3.480 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)cccc1[N+](=O)[O-] ZINC000866426055 622116335 /nfs/dbraw/zinc/11/63/35/622116335.db2.gz RBOBAQZGTGQYRG-TZMCWYRMSA-N 1 0 322.405 3.343 20 5 DGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@H]2CCCS2)n1 ZINC000866480509 622124990 /nfs/dbraw/zinc/12/49/90/622124990.db2.gz IPZJWLAOPKLPKU-HZSPNIEDSA-N 1 0 324.450 3.150 20 5 DGBDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866491351 622126711 /nfs/dbraw/zinc/12/67/11/622126711.db2.gz RIDMUHBNZIODKY-JECHBYEQSA-N 1 0 319.405 3.175 20 5 DGBDRO C[C@@H](C(=O)OCC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000763401831 622143206 /nfs/dbraw/zinc/14/32/06/622143206.db2.gz HPFKTFYTRMCFRI-HIFRSBDPSA-N 1 0 320.389 3.116 20 5 DGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000866634184 622150800 /nfs/dbraw/zinc/15/08/00/622150800.db2.gz BUSNEVDHLSZKKJ-DYEKYZERSA-N 1 0 310.394 3.194 20 5 DGBDRO CC(C)CCC[C@@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942834 622195402 /nfs/dbraw/zinc/19/54/02/622195402.db2.gz GZGRTLLUFZKYTE-DYVFJYSZSA-N 1 0 321.421 3.100 20 5 DGBDRO Cc1nn(C[NH+]2CCCCCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764859033 622227420 /nfs/dbraw/zinc/22/74/20/622227420.db2.gz ZDCIUGRDRRCNER-UHFFFAOYSA-N 1 0 302.378 3.477 20 5 DGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764970973 622236589 /nfs/dbraw/zinc/23/65/89/622236589.db2.gz LCYYDOKVJYXZSE-OAHLLOKOSA-N 1 0 300.362 3.085 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000765846800 622290683 /nfs/dbraw/zinc/29/06/83/622290683.db2.gz YMAULTNGCJECKV-DLBZAZTESA-N 1 0 316.332 3.044 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000767715329 622418308 /nfs/dbraw/zinc/41/83/08/622418308.db2.gz ZNOXXSJQVHSILM-IVZVJUQRSA-N 1 0 316.332 3.070 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c(Cl)c1 ZINC000767714026 622418569 /nfs/dbraw/zinc/41/85/69/622418569.db2.gz DMGZCFCBZWQODU-HNNXBMFYSA-N 1 0 324.739 3.211 20 5 DGBDRO CC1(C)C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000767917668 622427906 /nfs/dbraw/zinc/42/79/06/622427906.db2.gz OJKSHSPQUJENIB-HNNXBMFYSA-N 1 0 306.406 3.386 20 5 DGBDRO CC1(C)C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000767916836 622428051 /nfs/dbraw/zinc/42/80/51/622428051.db2.gz KNVOUCUPCVCDPP-HNNXBMFYSA-N 1 0 306.406 3.386 20 5 DGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)C)cc1[N+](=O)[O-] ZINC000768097944 622438500 /nfs/dbraw/zinc/43/85/00/622438500.db2.gz HRBRLEHBNHEFFP-TZMCWYRMSA-N 1 0 310.394 3.051 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCCC4(CC4)C3)c2)cc1 ZINC000769797926 622561094 /nfs/dbraw/zinc/56/10/94/622561094.db2.gz HLIXFZOWVTWUDA-UHFFFAOYSA-N 1 0 312.373 3.292 20 5 DGBDRO Cc1cc(C)cc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000769845056 622567718 /nfs/dbraw/zinc/56/77/18/622567718.db2.gz DFQVRTIGLUWDDA-GOSISDBHSA-N 1 0 314.385 3.377 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCCC1 ZINC000872018223 622754494 /nfs/dbraw/zinc/75/44/94/622754494.db2.gz JYKSQLWBAPFXCB-GFCCVEGCSA-N 1 0 309.435 3.063 20 5 DGBDRO C[C@H]([NH2+]CCCOCC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872022138 622756319 /nfs/dbraw/zinc/75/63/19/622756319.db2.gz UMRNYYBAUFVQBI-VIFPVBQESA-N 1 0 324.274 3.354 20 5 DGBDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872023860 622756982 /nfs/dbraw/zinc/75/69/82/622756982.db2.gz WIPFZAFYTSIFGF-FPMFFAJLSA-N 1 0 307.369 3.011 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000872024830 622758129 /nfs/dbraw/zinc/75/81/29/622758129.db2.gz WFQCGXIPVXXBSJ-VXGBXAGGSA-N 1 0 310.419 3.394 20 5 DGBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872024970 622758616 /nfs/dbraw/zinc/75/86/16/622758616.db2.gz XRUVQVKQYJAIHW-MLGOLLRUSA-N 1 0 318.348 3.427 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)CC(C)C ZINC000872029812 622761760 /nfs/dbraw/zinc/76/17/60/622761760.db2.gz TWNOJXSRPMINRX-AAEUAGOBSA-N 1 0 312.435 3.374 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872031132 622763300 /nfs/dbraw/zinc/76/33/00/622763300.db2.gz GQPZHORCPZSJHY-CJNGLKHVSA-N 1 0 322.405 3.287 20 5 DGBDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037441 622766453 /nfs/dbraw/zinc/76/64/53/622766453.db2.gz FTRNTIGRKINRGG-BMIGLBTASA-N 1 0 324.377 3.354 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872038373 622767691 /nfs/dbraw/zinc/76/76/91/622767691.db2.gz KUUHHAFYEYBYMN-OAHLLOKOSA-N 1 0 304.390 3.219 20 5 DGBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872042318 622770414 /nfs/dbraw/zinc/77/04/14/622770414.db2.gz BQYUOWYGZNEQBV-JTNHKYCSSA-N 1 0 322.336 3.490 20 5 DGBDRO COC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872052605 622777377 /nfs/dbraw/zinc/77/73/77/622777377.db2.gz PNNYRXZXACYIDJ-QMTHXVAHSA-N 1 0 310.419 3.392 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@@H](C)CO ZINC000872051854 622777579 /nfs/dbraw/zinc/77/75/79/622777579.db2.gz NWMWQJXEJUUCHI-VXGBXAGGSA-N 1 0 312.435 3.376 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000872062801 622784202 /nfs/dbraw/zinc/78/42/02/622784202.db2.gz QEFAKSKTKMQOTH-RYUDHWBXSA-N 1 0 310.419 3.394 20 5 DGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1=CCCOC1 ZINC000872071591 622789100 /nfs/dbraw/zinc/78/91/00/622789100.db2.gz RUXPXUDIUCEMPW-LLVKDONJSA-N 1 0 308.403 3.314 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000872105254 622807975 /nfs/dbraw/zinc/80/79/75/622807975.db2.gz FEJXVGOEPFIIGZ-YPMHNXCESA-N 1 0 308.378 3.069 20 5 DGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790052521 625598098 /nfs/dbraw/zinc/59/80/98/625598098.db2.gz GLDOYGZWNOQGPI-AWEZNQCLSA-N 1 0 312.369 3.423 20 5 DGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@]12C[C@H]1CCCC2 ZINC000872221656 622860635 /nfs/dbraw/zinc/86/06/35/622860635.db2.gz XMLDBLYUVBXQRB-YVVXQTMVSA-N 1 0 304.390 3.187 20 5 DGBDRO CC[NH+](CC)CCOC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000772320247 622884798 /nfs/dbraw/zinc/88/47/98/622884798.db2.gz IZBWGLXUYAKUSG-UHFFFAOYSA-N 1 0 314.769 3.055 20 5 DGBDRO Cc1c(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000873133708 623044515 /nfs/dbraw/zinc/04/45/15/623044515.db2.gz UHOOPAKRUHEVQH-RDJZCZTQSA-N 1 0 303.406 3.010 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873155606 623054029 /nfs/dbraw/zinc/05/40/29/623054029.db2.gz GVQLPQPJZRFYPI-NUTKFTJISA-N 1 0 320.389 3.041 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)s1 ZINC000873177240 623063477 /nfs/dbraw/zinc/06/34/77/623063477.db2.gz AKKQKSKPQQTOCM-HAQNSBGRSA-N 1 0 318.398 3.184 20 5 DGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000873194000 623069055 /nfs/dbraw/zinc/06/90/55/623069055.db2.gz PWWPBMBNCMGQTD-SJORKVTESA-N 1 0 300.358 3.197 20 5 DGBDRO C[C@@H]1CCCN1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774206331 623120148 /nfs/dbraw/zinc/12/01/48/623120148.db2.gz AYEVTWOYHZTWKY-DYVFJYSZSA-N 1 0 303.406 3.046 20 5 DGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000774618010 623166082 /nfs/dbraw/zinc/16/60/82/623166082.db2.gz HHMQVRVOXNQNRJ-NHYWBVRUSA-N 1 0 302.378 3.331 20 5 DGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000774620738 623167308 /nfs/dbraw/zinc/16/73/08/623167308.db2.gz VRMKFUAAWIPIEU-IAQYHMDHSA-N 1 0 302.378 3.331 20 5 DGBDRO C[C@@H](OC(=O)c1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000790280931 625626997 /nfs/dbraw/zinc/62/69/97/625626997.db2.gz YSIGAHSLKFTIAZ-LLVKDONJSA-N 1 0 311.297 3.161 20 5 DGBDRO CC[C@@H](CSC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775417847 623272491 /nfs/dbraw/zinc/27/24/91/623272491.db2.gz BOWFXGZLUSRSJV-ZDUSSCGKSA-N 1 0 323.462 3.295 20 5 DGBDRO C[C@@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000874625833 623308370 /nfs/dbraw/zinc/30/83/70/623308370.db2.gz XAZXTRYHMRZKBB-RQJABVFESA-N 1 0 319.405 3.033 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000776277247 623406079 /nfs/dbraw/zinc/40/60/79/623406079.db2.gz QDLDEFRSRLHFDZ-ROUUACIJSA-N 1 0 312.369 3.465 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2(c3ccccc3)CCC2)cc1 ZINC000776586005 623443856 /nfs/dbraw/zinc/44/38/56/623443856.db2.gz HGNKWDZHOPSXPT-KRWDZBQOSA-N 1 0 312.369 3.297 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2(c3ccccc3)CCC2)cc1 ZINC000776586006 623443862 /nfs/dbraw/zinc/44/38/62/623443862.db2.gz HGNKWDZHOPSXPT-QGZVFWFLSA-N 1 0 312.369 3.297 20 5 DGBDRO CO[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000777013002 623485504 /nfs/dbraw/zinc/48/55/04/623485504.db2.gz TVSWEDRJQJJFSW-GWCFXTLKSA-N 1 0 320.311 3.083 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2coc3ccccc23)cc1 ZINC000777446061 623527051 /nfs/dbraw/zinc/52/70/51/623527051.db2.gz SDBVYOYCNBKQDG-MRXNPFEDSA-N 1 0 312.325 3.164 20 5 DGBDRO C[C@H]1C[C@H](C)[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777956373 623589776 /nfs/dbraw/zinc/58/97/76/623589776.db2.gz GVTSPYLFLOPOFT-STQMWFEESA-N 1 0 300.362 3.146 20 5 DGBDRO C[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)CC(C)(C)C ZINC000777955309 623590057 /nfs/dbraw/zinc/59/00/57/623590057.db2.gz KRRGJSLSAFFVAX-UHFFFAOYSA-N 1 0 302.378 3.394 20 5 DGBDRO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778429156 623657004 /nfs/dbraw/zinc/65/70/04/623657004.db2.gz VLSJGIOULVWWPD-ABAIWWIYSA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@H]1CC[C@](CO)([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778429161 623657073 /nfs/dbraw/zinc/65/70/73/623657073.db2.gz VLSJGIOULVWWPD-NHYWBVRUSA-N 1 0 312.797 3.231 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000876680955 623680032 /nfs/dbraw/zinc/68/00/32/623680032.db2.gz KDCXGPBCAXLYKN-OAHLLOKOSA-N 1 0 314.389 3.245 20 5 DGBDRO Cc1nccn1CCCCOC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000778767611 623692588 /nfs/dbraw/zinc/69/25/88/623692588.db2.gz CWXUCRFODAYNSQ-UHFFFAOYSA-N 1 0 323.374 3.107 20 5 DGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCc4ccccc43)C2)c1 ZINC000876884576 623736481 /nfs/dbraw/zinc/73/64/81/623736481.db2.gz DUBFEIUVMPFSTF-KVULBXGLSA-N 1 0 312.373 3.162 20 5 DGBDRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000876957317 623754775 /nfs/dbraw/zinc/75/47/75/623754775.db2.gz XHXGMWPVWULPAK-MRXNPFEDSA-N 1 0 316.405 3.038 20 5 DGBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876973477 623758008 /nfs/dbraw/zinc/75/80/08/623758008.db2.gz HKLCGFNYQKIFJY-MQBCKMQZSA-N 1 0 312.373 3.080 20 5 DGBDRO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(F)c1 ZINC000876988314 623760705 /nfs/dbraw/zinc/76/07/05/623760705.db2.gz YSWJKOROYIMUOF-VCANKDNSSA-N 1 0 318.352 3.027 20 5 DGBDRO Cc1nn(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000779858593 623822556 /nfs/dbraw/zinc/82/25/56/623822556.db2.gz AMVNGWCJWSKONY-MRXNPFEDSA-N 1 0 314.389 3.154 20 5 DGBDRO COC(=O)CCCCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877522517 623923208 /nfs/dbraw/zinc/92/32/08/623923208.db2.gz BAXRDCNIWGEUDH-UHFFFAOYSA-N 1 0 308.378 3.035 20 5 DGBDRO Cc1cnn([C@H]2CC[N@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)c1 ZINC000877542303 623933978 /nfs/dbraw/zinc/93/39/78/623933978.db2.gz MTBBHOSELTZQPQ-HNNXBMFYSA-N 1 0 314.389 3.164 20 5 DGBDRO COC(=O)c1csc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000877557535 623940282 /nfs/dbraw/zinc/94/02/82/623940282.db2.gz NGJWZIQQRRRESC-JTQLQIEISA-N 1 0 320.370 3.294 20 5 DGBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cccc1[N+](=O)[O-] ZINC000790695261 625687593 /nfs/dbraw/zinc/68/75/93/625687593.db2.gz LOXXVYGBEGNYLV-VHDGCEQUSA-N 1 0 324.471 3.372 20 5 DGBDRO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877590213 623953350 /nfs/dbraw/zinc/95/33/50/623953350.db2.gz UQLSBWACRPRISI-FWIFWCIWSA-N 1 0 306.410 3.299 20 5 DGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@](C)(O)c1ccccc1 ZINC000877610965 623960597 /nfs/dbraw/zinc/96/05/97/623960597.db2.gz UKGXZKZFGLEBKO-RDTXWAMCSA-N 1 0 314.385 3.023 20 5 DGBDRO C[C@]1(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@]1(F)Cl ZINC000877611619 623962297 /nfs/dbraw/zinc/96/22/97/623962297.db2.gz VWKUXYDQZAAOOZ-KBPBESRZSA-N 1 0 300.761 3.432 20 5 DGBDRO Cc1cc[nH+]c(NC2CC(n3cc([N+](=O)[O-])cn3)C2)c1C1CC1 ZINC000877625031 623967845 /nfs/dbraw/zinc/96/78/45/623967845.db2.gz GUWVBHVUSRWKDU-UHFFFAOYSA-N 1 0 313.361 3.188 20 5 DGBDRO CC1(C)CCC[C@@H]1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877647224 623976774 /nfs/dbraw/zinc/97/67/74/623976774.db2.gz CFDIVKCHMZHUPF-IYXRBSQSSA-N 1 0 306.410 3.301 20 5 DGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)ccc1Cl ZINC000877737353 624010453 /nfs/dbraw/zinc/01/04/53/624010453.db2.gz FWDCFZSBLWSFMO-VXGBXAGGSA-N 1 0 312.822 3.433 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000877737053 624010645 /nfs/dbraw/zinc/01/06/45/624010645.db2.gz GPZXPSXPGSWASN-NEPJUHHUSA-N 1 0 312.822 3.433 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cc1Cl ZINC000877738589 624012865 /nfs/dbraw/zinc/01/28/65/624012865.db2.gz OPJYVIDEUQSEFE-RYUDHWBXSA-N 1 0 312.822 3.433 20 5 DGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877741350 624013263 /nfs/dbraw/zinc/01/32/63/624013263.db2.gz VJDNVYISEDWYPF-JSGCOSHPSA-N 1 0 322.430 3.178 20 5 DGBDRO Cc1csc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000877814176 624046620 /nfs/dbraw/zinc/04/66/20/624046620.db2.gz VJFDFHOEVOCURB-ZDUSSCGKSA-N 1 0 303.387 3.349 20 5 DGBDRO C[C@H]([N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1(C)CC1 ZINC000878179783 624204630 /nfs/dbraw/zinc/20/46/30/624204630.db2.gz QNOQFZBAQOFUMI-NSHDSACASA-N 1 0 316.361 3.265 20 5 DGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC3(CC3)CC2)o1 ZINC000878318239 624243848 /nfs/dbraw/zinc/24/38/48/624243848.db2.gz ZPDFSPRWPVVNTN-UHFFFAOYSA-N 1 0 314.345 3.021 20 5 DGBDRO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCC1CC1 ZINC000782544196 624262536 /nfs/dbraw/zinc/26/25/36/624262536.db2.gz MEGRUNXXIQKZTO-UHFFFAOYSA-N 1 0 323.368 3.185 20 5 DGBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000782656674 624271405 /nfs/dbraw/zinc/27/14/05/624271405.db2.gz TUTHPEJSZOXOME-QWHCGFSZSA-N 1 0 320.311 3.195 20 5 DGBDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1csc2ccccc12 ZINC000878421353 624274051 /nfs/dbraw/zinc/27/40/51/624274051.db2.gz UUMFGYLXVKCJOP-JTQLQIEISA-N 1 0 316.386 3.394 20 5 DGBDRO CC(C)([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000878643835 624328424 /nfs/dbraw/zinc/32/84/24/624328424.db2.gz PWZKJISUWYEUOS-XEZPLFJOSA-N 1 0 304.390 3.377 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000783572565 624368331 /nfs/dbraw/zinc/36/83/31/624368331.db2.gz KAZOKKYQQHIEMU-CHWSQXEVSA-N 1 0 310.781 3.107 20 5 DGBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO[C@H]1C1CC1 ZINC000783667613 624381494 /nfs/dbraw/zinc/38/14/94/624381494.db2.gz RXGAKBBTRVHZBI-LSDHHAIUSA-N 1 0 310.781 3.295 20 5 DGBDRO C[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC(C)(C)C1 ZINC000784005897 624419345 /nfs/dbraw/zinc/41/93/45/624419345.db2.gz BLDVRZFAIWSOIF-LBPRGKRZSA-N 1 0 302.378 3.270 20 5 DGBDRO Cc1nn(C[N@@H+]2CC[C@@H](c3cccc(C)c3)C2)c(C)c1[N+](=O)[O-] ZINC000784026361 624424954 /nfs/dbraw/zinc/42/49/54/624424954.db2.gz SBNUPTSXWBJVRY-MRXNPFEDSA-N 1 0 314.389 3.164 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC000879239453 624457209 /nfs/dbraw/zinc/45/72/09/624457209.db2.gz BGVBYTXYCDBQQB-QZTJIDSGSA-N 1 0 312.369 3.293 20 5 DGBDRO CC(C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000879406022 624535153 /nfs/dbraw/zinc/53/51/53/624535153.db2.gz KASVPNDOUPPVRI-AWEZNQCLSA-N 1 0 314.332 3.310 20 5 DGBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000785546030 624684198 /nfs/dbraw/zinc/68/41/98/624684198.db2.gz KEQQIFRJNLPCJG-JRPNMDOOSA-N 1 0 312.797 3.230 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000785755669 624724834 /nfs/dbraw/zinc/72/48/34/624724834.db2.gz RPAUZRWTCYBIKW-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO COC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880038847 624763026 /nfs/dbraw/zinc/76/30/26/624763026.db2.gz BALWUWGXQCTUBC-KBPBESRZSA-N 1 0 320.389 3.321 20 5 DGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C(F)(F)F)CC1 ZINC000880047699 624766351 /nfs/dbraw/zinc/76/63/51/624766351.db2.gz WVVCGOFLJCYGCZ-GXFFZTMASA-N 1 0 318.295 3.309 20 5 DGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](CF)C3)co2)cc1 ZINC000880297551 624899514 /nfs/dbraw/zinc/89/95/14/624899514.db2.gz PMEDBYJQJJPWBQ-LLVKDONJSA-N 1 0 305.309 3.041 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880320220 624916616 /nfs/dbraw/zinc/91/66/16/624916616.db2.gz DVWCQEAUDLFLON-LBPRGKRZSA-N 1 0 319.386 3.049 20 5 DGBDRO Cc1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000880323237 624917865 /nfs/dbraw/zinc/91/78/65/624917865.db2.gz PRVIZSBHRJBJBU-ZDUSSCGKSA-N 1 0 303.387 3.349 20 5 DGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CCCCO2)CC1 ZINC000880454392 624959433 /nfs/dbraw/zinc/95/94/33/624959433.db2.gz BHIPZPBOQXZRIB-UHFFFAOYSA-N 1 0 320.389 3.009 20 5 DGBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000128698574 625130518 /nfs/dbraw/zinc/13/05/18/625130518.db2.gz AHJVDGFKXLNBRQ-VXGBXAGGSA-N 1 0 323.368 3.183 20 5 DGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000788535148 625208575 /nfs/dbraw/zinc/20/85/75/625208575.db2.gz CJAIKDXCLREORG-ROUUACIJSA-N 1 0 314.385 3.443 20 5 DGBDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788606632 625227102 /nfs/dbraw/zinc/22/71/02/625227102.db2.gz KABUKTBENKLCFQ-DTWKUNHWSA-N 1 0 304.350 3.194 20 5 DGBDRO C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788670909 625238685 /nfs/dbraw/zinc/23/86/85/625238685.db2.gz LERHGDCGKQTZIM-DCGLDWPTSA-N 1 0 321.421 3.159 20 5 DGBDRO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788740846 625254683 /nfs/dbraw/zinc/25/46/83/625254683.db2.gz RICNWDRSDMDMMT-UPJWGTAASA-N 1 0 307.394 3.033 20 5 DGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000788799066 625270001 /nfs/dbraw/zinc/27/00/01/625270001.db2.gz QVSYRMJXJNJYDE-CYBMUJFWSA-N 1 0 317.776 3.463 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+](C2CCCC2)CC1 ZINC000791408690 625794387 /nfs/dbraw/zinc/79/43/87/625794387.db2.gz WNSRGCVRVLIVKG-UHFFFAOYSA-N 1 0 309.797 3.313 20 5 DGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796428063 626048913 /nfs/dbraw/zinc/04/89/13/626048913.db2.gz HFHFRCUGGXGZRM-IUODEOHRSA-N 1 0 323.824 3.307 20 5 DGBDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000796481049 626054832 /nfs/dbraw/zinc/05/48/32/626054832.db2.gz HALUSYXAPPTCLM-YVEFUNNKSA-N 1 0 318.348 3.254 20 5 DGBDRO C[C@H](CO)[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CCC1 ZINC000796545242 626061156 /nfs/dbraw/zinc/06/11/56/626061156.db2.gz GYTKKNNKABCOCG-LLVKDONJSA-N 1 0 312.797 3.231 20 5 DGBDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000796576057 626063121 /nfs/dbraw/zinc/06/31/21/626063121.db2.gz RLBQIPQMMFEPDN-HOCLYGCPSA-N 1 0 306.406 3.386 20 5 DGBDRO CC1=C[C@H](C)C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000797417011 626141115 /nfs/dbraw/zinc/14/11/15/626141115.db2.gz LQVBYCHTBHKTAG-ZDUSSCGKSA-N 1 0 312.373 3.314 20 5 DGBDRO CC1(C)SC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000802318901 626558729 /nfs/dbraw/zinc/55/87/29/626558729.db2.gz VWAHTCBJRMPWNL-HNNXBMFYSA-N 1 0 321.446 3.047 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000883263489 626628814 /nfs/dbraw/zinc/62/88/14/626628814.db2.gz WJUDGGMRMFXIOB-YGUOUDRMSA-N 1 0 316.357 3.369 20 5 DGBDRO C=C/C=C/CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000883267335 626630517 /nfs/dbraw/zinc/63/05/17/626630517.db2.gz ASMWTBGPPDUYEV-ONEGZZNKSA-N 1 0 301.390 3.286 20 5 DGBDRO CO[C@H]1C[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000883272904 626631609 /nfs/dbraw/zinc/63/16/09/626631609.db2.gz YVSYWABJAAZHSB-RBOXIYTFSA-N 1 0 304.390 3.332 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000883318738 626645221 /nfs/dbraw/zinc/64/52/21/626645221.db2.gz ACPFAQSPDXXUNU-SDDRHHMPSA-N 1 0 310.419 3.392 20 5 DGBDRO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000883319700 626645958 /nfs/dbraw/zinc/64/59/58/626645958.db2.gz MBPJHZHOAQLAIV-HACGYAERSA-N 1 0 304.390 3.377 20 5 DGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](COC)C1 ZINC000883320231 626646394 /nfs/dbraw/zinc/64/63/94/626646394.db2.gz FQSYTRYBLAQBAA-MELADBBJSA-N 1 0 324.446 3.480 20 5 DGBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000883352435 626657168 /nfs/dbraw/zinc/65/71/68/626657168.db2.gz ASEOLAOZFGVYPM-ZLDLUXBVSA-N 1 0 307.394 3.033 20 5 DGBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883352695 626657214 /nfs/dbraw/zinc/65/72/14/626657214.db2.gz GNGKPDYFXMJLOY-TWZSPHTKSA-N 1 0 304.390 3.403 20 5 DGBDRO CC[NH+](CC)CCC[C@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804318739 626668302 /nfs/dbraw/zinc/66/83/02/626668302.db2.gz BNECOQBKCCKXMT-LBPRGKRZSA-N 1 0 324.381 3.425 20 5 DGBDRO CC[NH+](CC)C[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804519600 626689463 /nfs/dbraw/zinc/68/94/63/626689463.db2.gz AASYNCYLTHCQLN-LBPRGKRZSA-N 1 0 311.813 3.416 20 5 DGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCCC[N@H+]1CCCC[C@@H]1C ZINC000807918629 626777373 /nfs/dbraw/zinc/77/73/73/626777373.db2.gz XXAVEUGBBMEFLZ-ZDUSSCGKSA-N 1 0 319.405 3.474 20 5 DGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807972502 626781373 /nfs/dbraw/zinc/78/13/73/626781373.db2.gz LVLYVEGITVRFGK-CQSZACIVSA-N 1 0 305.378 3.084 20 5 DGBDRO CC[NH+](CC)CCCOC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000800199833 626823910 /nfs/dbraw/zinc/82/39/10/626823910.db2.gz SKPLDKDAAQCGIV-BUHFOSPRSA-N 1 0 320.389 3.273 20 5 DGBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000809354812 626906388 /nfs/dbraw/zinc/90/63/88/626906388.db2.gz DYANQIIZATUFSL-NSHDSACASA-N 1 0 313.348 3.310 20 5 DGBDRO C[C@@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1CCC1 ZINC000809665392 626934722 /nfs/dbraw/zinc/93/47/22/626934722.db2.gz SOFLSTAQMXCVGS-NSHDSACASA-N 1 0 312.797 3.231 20 5 DGBDRO C[C@@H]1C[C@@H]1c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000809734607 626943640 /nfs/dbraw/zinc/94/36/40/626943640.db2.gz ILVWRXBSVQSGPL-WBMJQRKESA-N 1 0 315.373 3.277 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1Cl ZINC000809778221 626951115 /nfs/dbraw/zinc/95/11/15/626951115.db2.gz MQYZOKYNKLWOKQ-NSHDSACASA-N 1 0 300.811 3.481 20 5 DGBDRO CC1(C2CC2)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810064871 626974381 /nfs/dbraw/zinc/97/43/81/626974381.db2.gz YKCGXTZDWKLWCA-INIZCTEOSA-N 1 0 304.390 3.140 20 5 DGBDRO CCC[N@H+](CC)C[C@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000810180764 626985061 /nfs/dbraw/zinc/98/50/61/626985061.db2.gz KTKZKKZMKQZGRJ-LBPRGKRZSA-N 1 0 313.829 3.458 20 5 DGBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886116206 627107775 /nfs/dbraw/zinc/10/77/75/627107775.db2.gz COSAVBCTVOJUPT-MRXNPFEDSA-N 1 0 317.364 3.486 20 5 DGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000886131767 627109769 /nfs/dbraw/zinc/10/97/69/627109769.db2.gz HEODELVYADBQET-BFQNTYOBSA-N 1 0 313.357 3.033 20 5 DGBDRO CN(Cc1cccnc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCCCC1 ZINC000886147048 627112361 /nfs/dbraw/zinc/11/23/61/627112361.db2.gz IFMKHALFTBHVBX-UHFFFAOYSA-N 1 0 320.437 3.076 20 5 DGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000886159955 627115532 /nfs/dbraw/zinc/11/55/32/627115532.db2.gz GRWMYSNAFHRZMK-NVXWUHKLSA-N 1 0 311.385 3.491 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CC3(CCC3)CO2)c1 ZINC000886288994 627131768 /nfs/dbraw/zinc/13/17/68/627131768.db2.gz LUDJXVPJNNYKKL-ZDUSSCGKSA-N 1 0 310.781 3.297 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)c2ccsc2)c1 ZINC000219097264 627137038 /nfs/dbraw/zinc/13/70/38/627137038.db2.gz QEIUJDNLRMTQDP-ZDUSSCGKSA-N 1 0 312.778 3.133 20 5 DGBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+]C3(C4CC4)CCC3)n2)c1 ZINC000887144908 627229465 /nfs/dbraw/zinc/22/94/65/627229465.db2.gz FJIZKYHSYXBJFV-UHFFFAOYSA-N 1 0 314.345 3.067 20 5 DGBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000811519009 627287266 /nfs/dbraw/zinc/28/72/66/627287266.db2.gz RQMLJCJUDQLOFW-CQSZACIVSA-N 1 0 312.797 3.135 20 5 DGBDRO Cc1cc(NCCc2ccccc2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000811775474 627320244 /nfs/dbraw/zinc/32/02/44/627320244.db2.gz ZPJQPIWQFIGWGJ-UHFFFAOYSA-N 1 0 323.352 3.234 20 5 DGBDRO Cc1cc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000813145221 627458142 /nfs/dbraw/zinc/45/81/42/627458142.db2.gz HNTUIWSNAMFIGM-MRXNPFEDSA-N 1 0 323.368 3.054 20 5 DGBDRO CC(C)c1ccc(C[NH2+]CCO[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000813334211 627479361 /nfs/dbraw/zinc/47/93/61/627479361.db2.gz ZQJZBYYIFFUAMF-KRWDZBQOSA-N 1 0 322.405 3.351 20 5 DGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815586563 627688360 /nfs/dbraw/zinc/68/83/60/627688360.db2.gz LYAXTERIMTWNKF-VXGBXAGGSA-N 1 0 300.362 3.026 20 5 DGBDRO COCCC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000815589367 627688421 /nfs/dbraw/zinc/68/84/21/627688421.db2.gz QHJIZXQOQPATHY-GFCCVEGCSA-N 1 0 307.394 3.034 20 5 DGBDRO COCCC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000815589368 627688496 /nfs/dbraw/zinc/68/84/96/627688496.db2.gz QHJIZXQOQPATHY-LBPRGKRZSA-N 1 0 307.394 3.034 20 5 DGBDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000815593068 627689343 /nfs/dbraw/zinc/68/93/43/627689343.db2.gz APXQITKIXODWPN-LRDDRELGSA-N 1 0 315.373 3.215 20 5 DGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815614114 627691054 /nfs/dbraw/zinc/69/10/54/627691054.db2.gz GLQDGSVWQZIYKH-IINYFYTJSA-N 1 0 307.394 3.174 20 5 DGBDRO C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815624461 627692292 /nfs/dbraw/zinc/69/22/92/627692292.db2.gz ZAQAVXZRXCIBQJ-UPJWGTAASA-N 1 0 321.421 3.421 20 5 DGBDRO C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815648747 627694543 /nfs/dbraw/zinc/69/45/43/627694543.db2.gz VVZARSCFSQMRQV-WFASDCNBSA-N 1 0 321.421 3.016 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCOC23CCCCC3)cc1 ZINC000924955517 627696922 /nfs/dbraw/zinc/69/69/22/627696922.db2.gz ONOMDNVLJCJKHX-INIZCTEOSA-N 1 0 304.390 3.219 20 5 DGBDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000924954213 627697327 /nfs/dbraw/zinc/69/73/27/627697327.db2.gz HWMRSCYNEOZUFB-BBRMVZONSA-N 1 0 310.394 3.023 20 5 DGBDRO C[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc2c1OCO2 ZINC000925311858 627729178 /nfs/dbraw/zinc/72/91/78/627729178.db2.gz WLNBCJVACIWFQF-NSHDSACASA-N 1 0 300.314 3.174 20 5 DGBDRO C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cnn(C2CCC2)c1 ZINC000925312137 627729241 /nfs/dbraw/zinc/72/92/41/627729241.db2.gz XGOUMNLSGPRVFZ-GFCCVEGCSA-N 1 0 300.362 3.367 20 5 DGBDRO COc1cc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)on1 ZINC000925464463 627739336 /nfs/dbraw/zinc/73/93/36/627739336.db2.gz CTVOCKNCFLQYLC-GFCCVEGCSA-N 1 0 319.361 3.265 20 5 DGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCOC23CCCCC3)c1 ZINC000925640927 627767748 /nfs/dbraw/zinc/76/77/48/627767748.db2.gz KNROCADERIADKH-INIZCTEOSA-N 1 0 304.390 3.219 20 5 DGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cn2c(n1)CCCC2 ZINC000925642951 627768516 /nfs/dbraw/zinc/76/85/16/627768516.db2.gz UMRYLFHELFGBHN-ZDUSSCGKSA-N 1 0 314.389 3.021 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000817282437 627877177 /nfs/dbraw/zinc/87/71/77/627877177.db2.gz FDEPHYYNUFPUJC-DOTOQJQBSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817299021 627879680 /nfs/dbraw/zinc/87/96/80/627879680.db2.gz SJEOBOTTXYLPTH-GFCCVEGCSA-N 1 0 312.797 3.233 20 5 DGBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CCCO)cc1[N+](=O)[O-] ZINC000926797525 627956849 /nfs/dbraw/zinc/95/68/49/627956849.db2.gz TYZOBDNTQPDIFL-HOTGVXAUSA-N 1 0 306.406 3.324 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000926835716 627962277 /nfs/dbraw/zinc/96/22/77/627962277.db2.gz KHYIOSPHMZUKJH-UNEWFSDZSA-N 1 0 303.406 3.262 20 5 DGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000926890835 627972319 /nfs/dbraw/zinc/97/23/19/627972319.db2.gz FQBFXVBTSWWDJS-DTZQCDIJSA-N 1 0 304.390 3.451 20 5 DGBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000927067040 628007156 /nfs/dbraw/zinc/00/71/56/628007156.db2.gz NNJWLLBMSVNDOQ-WBMJQRKESA-N 1 0 302.378 3.376 20 5 DGBDRO CC(C)[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cnn(C)c1 ZINC000927072658 628008175 /nfs/dbraw/zinc/00/81/75/628008175.db2.gz YBPSAZPAFXGRIR-WBVHZDCISA-N 1 0 314.389 3.303 20 5 DGBDRO C[C@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927100843 628013970 /nfs/dbraw/zinc/01/39/70/628013970.db2.gz LNRFKVLJKSRDRI-WCQYABFASA-N 1 0 321.421 3.421 20 5 DGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@]23C[C@H]2CCC3)n1 ZINC000927121585 628021025 /nfs/dbraw/zinc/02/10/25/628021025.db2.gz MBERBAUHFJNGGG-HOSILWTGSA-N 1 0 304.394 3.055 20 5 DGBDRO C[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927129998 628022930 /nfs/dbraw/zinc/02/29/30/628022930.db2.gz RIBLXAPAVZZNMZ-GXTWGEPZSA-N 1 0 319.405 3.319 20 5 DGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927159074 628028865 /nfs/dbraw/zinc/02/88/65/628028865.db2.gz KZJYPTIEVRRKTM-LRDDRELGSA-N 1 0 320.389 3.356 20 5 DGBDRO [NH3+]CCCCCCCOc1ccc([N+](=O)[O-])c2ncccc12 ZINC000818620145 628044690 /nfs/dbraw/zinc/04/46/90/628044690.db2.gz SSQOZWSKCJZGBP-UHFFFAOYSA-N 1 0 303.362 3.431 20 5 DGBDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819052804 628084052 /nfs/dbraw/zinc/08/40/52/628084052.db2.gz JWIZYQJWWCGKMJ-PJSAGSTRSA-N 1 0 312.369 3.151 20 5 DGBDRO Cc1cc(C)cc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819094967 628091170 /nfs/dbraw/zinc/09/11/70/628091170.db2.gz PLLPLYFCVODFDH-GOSISDBHSA-N 1 0 314.385 3.077 20 5 DGBDRO CC(C)CC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819150905 628100636 /nfs/dbraw/zinc/10/06/36/628100636.db2.gz TUBPEDHGCUWJML-CYBMUJFWSA-N 1 0 300.786 3.135 20 5 DGBDRO Cc1cccc(C)c1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819174812 628106278 /nfs/dbraw/zinc/10/62/78/628106278.db2.gz YALGYHUQUYIULS-SFHVURJKSA-N 1 0 314.385 3.077 20 5 DGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC2=CCCCCC2)cc1 ZINC000819236247 628118317 /nfs/dbraw/zinc/11/83/17/628118317.db2.gz SLIYBCBZQBIZJJ-KRWDZBQOSA-N 1 0 304.390 3.498 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000819261221 628123111 /nfs/dbraw/zinc/12/31/11/628123111.db2.gz HZGAULUGYDONFD-MRXNPFEDSA-N 1 0 320.776 3.380 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCC[C@H]2C2CC2)c1 ZINC000819366001 628141800 /nfs/dbraw/zinc/14/18/00/628141800.db2.gz GKVUVAUNCGNGJD-HYVNUMGLSA-N 1 0 304.390 3.044 20 5 DGBDRO Cc1c(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000823590393 628577855 /nfs/dbraw/zinc/57/78/55/628577855.db2.gz COAHNWUEJVHMGS-GOSISDBHSA-N 1 0 314.385 3.243 20 5 DGBDRO CC[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000823960887 628614284 /nfs/dbraw/zinc/61/42/84/628614284.db2.gz GXSVRRQAATYZSC-INIZCTEOSA-N 1 0 314.389 3.447 20 5 DGBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000824596654 628674913 /nfs/dbraw/zinc/67/49/13/628674913.db2.gz JULGFDAMQKMUGA-QMTHXVAHSA-N 1 0 300.786 3.399 20 5 DGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1=CCOCC1 ZINC000824597544 628675882 /nfs/dbraw/zinc/67/58/82/628675882.db2.gz UBXCUSRGKNQJCP-UHFFFAOYSA-N 1 0 317.172 3.338 20 5 DGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](CO)c1ccccc1 ZINC000824696557 628684591 /nfs/dbraw/zinc/68/45/91/628684591.db2.gz OVWDKPPYEWSRBV-INIZCTEOSA-N 1 0 320.776 3.414 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000824716700 628687130 /nfs/dbraw/zinc/68/71/30/628687130.db2.gz XVMGKJYVUYVNQU-IMJJTQAJSA-N 1 0 324.808 3.374 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(CF)CCOCC2)c1 ZINC000824795318 628694485 /nfs/dbraw/zinc/69/44/85/628694485.db2.gz UPRBTMKKRGOGOK-UHFFFAOYSA-N 1 0 316.760 3.104 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2SCCS2)cc1Cl ZINC000827613695 628976687 /nfs/dbraw/zinc/97/66/87/628976687.db2.gz NEXDOBRNQZMWSP-UHFFFAOYSA-N 1 0 304.824 3.144 20 5 DGBDRO Cc1ccccc1C1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000829500572 629163112 /nfs/dbraw/zinc/16/31/12/629163112.db2.gz NLPOUFNUFRDYCN-QGZVFWFLSA-N 1 0 312.369 3.216 20 5 DGBDRO Cc1ccccc1CC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000830391051 629262389 /nfs/dbraw/zinc/26/23/89/629262389.db2.gz KBSZPMGSYRJEGH-GOSISDBHSA-N 1 0 314.385 3.111 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CSCC2CC[NH2+]CC2)c1 ZINC000830483337 629275948 /nfs/dbraw/zinc/27/59/48/629275948.db2.gz FHZQEPQNACCXHH-UHFFFAOYSA-N 1 0 300.811 3.481 20 5 DGBDRO O=C(CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000831539350 629388479 /nfs/dbraw/zinc/38/84/79/629388479.db2.gz QFXXFZQSNGINRI-HNNXBMFYSA-N 1 0 302.374 3.143 20 5 DGBDRO C[C@H]1CCC(C)(C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832566095 629497093 /nfs/dbraw/zinc/49/70/93/629497093.db2.gz ZJFNFNWPLKNWSV-NSHDSACASA-N 1 0 323.368 3.325 20 5 DGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC(C3CCCCC3)C2)c1 ZINC000834377309 629701295 /nfs/dbraw/zinc/70/12/95/629701295.db2.gz CUIYUYFVAULTQS-QGZVFWFLSA-N 1 0 304.390 3.140 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000842473194 630539638 /nfs/dbraw/zinc/53/96/38/630539638.db2.gz TYUGDDIQNBTROB-HZPDHXFCSA-N 1 0 323.824 3.355 20 5 DGBDRO C[NH2+]C[C@H](C)c1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000842576138 630549142 /nfs/dbraw/zinc/54/91/42/630549142.db2.gz AGLNYDMDYQYCSF-QMMMGPOBSA-N 1 0 318.358 3.182 20 5 DGBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000842584125 630550340 /nfs/dbraw/zinc/55/03/40/630550340.db2.gz WDDHIUYOMFSPMH-SNVBAGLBSA-N 1 0 304.350 3.091 20 5 DGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000842930680 630595023 /nfs/dbraw/zinc/59/50/23/630595023.db2.gz WCEDNQXPFTWZAP-OFQRWUPVSA-N 1 0 315.417 3.342 20 5 DGBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000843048108 630607989 /nfs/dbraw/zinc/60/79/89/630607989.db2.gz NHAOHPFLBBQJKS-GDBMZVCRSA-N 1 0 323.824 3.355 20 5 DGBDRO [NH3+]CCCCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000843506756 630663408 /nfs/dbraw/zinc/66/34/08/630663408.db2.gz MTINLAYSAPDPBH-UHFFFAOYSA-N 1 0 321.402 3.058 20 5 DGBDRO C[C@H](CCO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000844445971 630730855 /nfs/dbraw/zinc/73/08/55/630730855.db2.gz ATAPTYRZZPDBTO-MRVPVSSYSA-N 1 0 307.177 3.104 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC000844909650 630975811 /nfs/dbraw/zinc/97/58/11/630975811.db2.gz OGDNQQXDFMVWNG-ZIAGYGMSSA-N 1 0 314.345 3.156 20 5 DGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccccc2Cl)cc1 ZINC000105908911 631174968 /nfs/dbraw/zinc/17/49/68/631174968.db2.gz AGAZYHGQTUBFAM-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@](C)(O)c1ccccc1 ZINC000846038360 631207361 /nfs/dbraw/zinc/20/73/61/631207361.db2.gz PTADCIDMVFJWPC-KBXCAEBGSA-N 1 0 314.385 3.289 20 5 DGBDRO C[C@H](CO)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000846057849 631208644 /nfs/dbraw/zinc/20/86/44/631208644.db2.gz KQBGJNBMKYVJFA-LLVKDONJSA-N 1 0 312.797 3.089 20 5 DGBDRO C[C@@H](COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000847964286 631587795 /nfs/dbraw/zinc/58/77/95/631587795.db2.gz ZVEUTTYOBLDVAL-KBPBESRZSA-N 1 0 320.389 3.116 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000848526522 631677888 /nfs/dbraw/zinc/67/78/88/631677888.db2.gz AMQLGTAXZWZQKY-CXAGYDPISA-N 1 0 324.380 3.423 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccc(Cl)nc1 ZINC000848532656 631680841 /nfs/dbraw/zinc/68/08/41/631680841.db2.gz KSDIUYUGXGDGSW-AWEZNQCLSA-N 1 0 317.776 3.463 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848575492 631701214 /nfs/dbraw/zinc/70/12/14/631701214.db2.gz RILYNIAUIDYFJR-HZPDHXFCSA-N 1 0 323.824 3.355 20 5 DGBDRO COCC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000848923263 631789059 /nfs/dbraw/zinc/78/90/59/631789059.db2.gz HICUJVVZZAYLBN-UHFFFAOYSA-N 1 0 319.188 3.418 20 5 DGBDRO [NH2+]=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCCCCC1 ZINC000849076970 631827254 /nfs/dbraw/zinc/82/72/54/631827254.db2.gz CBOUDSFTOBVGCA-UHFFFAOYSA-N 1 0 324.812 3.191 20 5 DGBDRO [NH2+]=C(NCCc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1F ZINC000849079786 631828414 /nfs/dbraw/zinc/82/84/14/631828414.db2.gz VRJRJAZXBQHEPL-UHFFFAOYSA-N 1 0 320.299 3.052 20 5 DGBDRO [NH2+]=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000849077101 631828747 /nfs/dbraw/zinc/82/87/47/631828747.db2.gz NQCFSETZXKTISO-UHFFFAOYSA-N 1 0 318.764 3.427 20 5 DGBDRO COC[C@H](CC1CCOCC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850471370 632163019 /nfs/dbraw/zinc/16/30/19/632163019.db2.gz POGSORWKTFAHSL-BBRMVZONSA-N 1 0 322.405 3.077 20 5 DGBDRO C[C@@H]([NH2+]CCC1SCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850568831 632197691 /nfs/dbraw/zinc/19/76/91/632197691.db2.gz KNKAXJRWYNBNKV-SECBINFHSA-N 1 0 313.448 3.024 20 5 DGBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852109034 632556539 /nfs/dbraw/zinc/55/65/39/632556539.db2.gz STVQJFDADXJHDZ-MRXNPFEDSA-N 1 0 323.824 3.166 20 5 DGBDRO CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000852135545 632561164 /nfs/dbraw/zinc/56/11/64/632561164.db2.gz PQDYURJSAFAYBU-HYVNUMGLSA-N 1 0 304.390 3.342 20 5 DGBDRO CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000852135543 632561440 /nfs/dbraw/zinc/56/14/40/632561440.db2.gz PQDYURJSAFAYBU-DJIMGWMZSA-N 1 0 304.390 3.342 20 5 DGBDRO C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000852455986 632605831 /nfs/dbraw/zinc/60/58/31/632605831.db2.gz HMTASBUPIVHJDC-BXUZGUMPSA-N 1 0 312.797 3.231 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000792928461 660994658 /nfs/dbraw/zinc/99/46/58/660994658.db2.gz UBACBDQQGNUOTG-CQSZACIVSA-N 1 0 312.797 3.375 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1Cl ZINC000793610315 661049896 /nfs/dbraw/zinc/04/98/96/661049896.db2.gz SXONUOHTZQAZDL-LSDHHAIUSA-N 1 0 310.781 3.392 20 5 DGBDRO CC(C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000795231442 661134968 /nfs/dbraw/zinc/13/49/68/661134968.db2.gz CAFHIJKSHUFKLG-MRXNPFEDSA-N 1 0 318.348 3.292 20 5 DGBDRO Cc1csc(C[C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000933125898 655683491 /nfs/dbraw/zinc/68/34/91/655683491.db2.gz LGCLJSOVVNMYAD-ZDUSSCGKSA-N 1 0 317.414 3.424 20 5 DGBDRO C[C@@H](C[NH+]1CCCCC1)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093632817 655704930 /nfs/dbraw/zinc/70/49/30/655704930.db2.gz MGKQIVIWEIMXLO-LBPRGKRZSA-N 1 0 311.813 3.212 20 5 DGBDRO [NH3+]C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C1CCCC1 ZINC000261813620 657112233 /nfs/dbraw/zinc/11/22/33/657112233.db2.gz ABCWGPQYOAKDOM-HNNXBMFYSA-N 1 0 300.362 3.072 20 5 DGBDRO C[C@H](C[NH+]1CCCCC1)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093632818 657118476 /nfs/dbraw/zinc/11/84/76/657118476.db2.gz MGKQIVIWEIMXLO-GFCCVEGCSA-N 1 0 311.813 3.212 20 5 DGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1[NH3+] ZINC000262109335 657371919 /nfs/dbraw/zinc/37/19/19/657371919.db2.gz WHDXRBRGDIGVJO-IAQYHMDHSA-N 1 0 317.414 3.102 20 5 DGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCCC1 ZINC000016484777 658339821 /nfs/dbraw/zinc/33/98/21/658339821.db2.gz FIWPIIQZUKFXAV-CYBMUJFWSA-N 1 0 305.378 3.188 20 5 DGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000172584066 659345592 /nfs/dbraw/zinc/34/55/92/659345592.db2.gz YXGYTIIUNNHXTH-GFCCVEGCSA-N 1 0 311.813 3.022 20 5 DGBDRO C[C@](CO)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000172732669 659351324 /nfs/dbraw/zinc/35/13/24/659351324.db2.gz STKVTDYUWCQWIM-MRXNPFEDSA-N 1 0 310.369 3.155 20 5 DGBDRO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000063492942 659390374 /nfs/dbraw/zinc/39/03/74/659390374.db2.gz LRUYVXLXBHGBBE-UHFFFAOYSA-N 1 0 311.769 3.060 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000035601036 661393925 /nfs/dbraw/zinc/39/39/25/661393925.db2.gz SCYVKFJTNZSVFQ-OAHLLOKOSA-N 1 0 306.749 3.071 20 5 DGBDRO CCc1onc(C)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930440509 661398591 /nfs/dbraw/zinc/39/85/91/661398591.db2.gz OAWQDHXCEUTTFK-UHFFFAOYSA-N 1 0 303.362 3.128 20 5 DGBDRO Cn1cc(C[NH2+][C@H]2CCc3cccc4cccc2c43)c([N+](=O)[O-])n1 ZINC000931810210 661511855 /nfs/dbraw/zinc/51/18/55/661511855.db2.gz YBIGBRQNCKBQFM-INIZCTEOSA-N 1 0 322.368 3.259 20 5 DGBDRO Cn1cc(C[NH2+][C@@H]2CCc3cccc4cccc2c43)c([N+](=O)[O-])n1 ZINC000931810213 661511931 /nfs/dbraw/zinc/51/19/31/661511931.db2.gz YBIGBRQNCKBQFM-MRXNPFEDSA-N 1 0 322.368 3.259 20 5 DGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932140073 661541646 /nfs/dbraw/zinc/54/16/46/661541646.db2.gz VABMSCUUHFIUEI-HIFRSBDPSA-N 1 0 314.389 3.269 20 5 DGBDRO C[C@@H]([NH2+]CCc1nc2ccccc2n1C)c1ccc([N+](=O)[O-])cc1 ZINC000932177188 661544622 /nfs/dbraw/zinc/54/46/22/661544622.db2.gz LJEPAGMWLGDEAP-CYBMUJFWSA-N 1 0 324.384 3.375 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2ccccn2)C2CC2)cc1 ZINC000932376698 661563342 /nfs/dbraw/zinc/56/33/42/661563342.db2.gz CQXPIHODTINIRG-QGZVFWFLSA-N 1 0 313.357 3.110 20 5 DGBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000934235882 661690425 /nfs/dbraw/zinc/69/04/25/661690425.db2.gz ZCHTWZJMDUNQSR-LLVKDONJSA-N 1 0 305.765 3.364 20 5 DGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H]2CC=CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000934626627 661719876 /nfs/dbraw/zinc/71/98/76/661719876.db2.gz WWENOUHFJISWGZ-MRVWCRGKSA-N 1 0 317.389 3.175 20 5 DGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934627049 661720114 /nfs/dbraw/zinc/72/01/14/661720114.db2.gz TZDUKBDTSIMQMN-ZYHUDNBSSA-N 1 0 323.780 3.131 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](c3ccncc3)C3CC3)nc2c1 ZINC000934700107 661727596 /nfs/dbraw/zinc/72/75/96/661727596.db2.gz ZQZPBULQHSTHHC-KRWDZBQOSA-N 1 0 323.356 3.107 20 5 DGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000934838960 661739920 /nfs/dbraw/zinc/73/99/20/661739920.db2.gz RLWDPDWZCNWKNA-DZGCQCFKSA-N 1 0 322.380 3.373 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCc2ccc(O)cc2)c1 ZINC000040735962 661832652 /nfs/dbraw/zinc/83/26/52/661832652.db2.gz IURSXBRYATVSQZ-UHFFFAOYSA-N 1 0 306.749 3.286 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](CCO)C2CCCCC2)c1 ZINC000042503416 661840648 /nfs/dbraw/zinc/84/06/48/661840648.db2.gz MYRRUHYEMSCQNX-UHFFFAOYSA-N 1 0 312.797 3.375 20 5 DGBDRO CCC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc2C1 ZINC000194018115 662154981 /nfs/dbraw/zinc/15/49/81/662154981.db2.gz ANAKEIMRVYOFJC-INIZCTEOSA-N 1 0 314.389 3.018 20 5 DGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000246361452 662255338 /nfs/dbraw/zinc/25/53/38/662255338.db2.gz XMFSMHUWUIJPEL-IRXDYDNUSA-N 1 0 304.390 3.283 20 5 DGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC001578263358 1191935308 /nfs/dbraw/zinc/93/53/08/1191935308.db2.gz BAEKPOSHHFHPFX-CQSZACIVSA-N 1 0 307.394 3.105 20 5 DGBDRO C[NH2+]CCN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C(C)C ZINC001578704747 1191952317 /nfs/dbraw/zinc/95/23/17/1191952317.db2.gz DZRIVPCYDNWQJM-UHFFFAOYSA-N 1 0 314.389 3.091 20 5 DGBDRO C[C@H](OC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001579484804 1191977803 /nfs/dbraw/zinc/97/78/03/1191977803.db2.gz MHWJFABFMOWDTF-NSHDSACASA-N 1 0 312.325 3.116 20 5 DGBDRO O=[N+]([O-])c1c(NC[C@H]2CCCCC[NH2+]2)ccc2ncccc21 ZINC001580874921 1192043399 /nfs/dbraw/zinc/04/33/99/1192043399.db2.gz PDSYDAOLNZDKRX-GFCCVEGCSA-N 1 0 300.362 3.087 20 5 DGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001580874579 1192043574 /nfs/dbraw/zinc/04/35/74/1192043574.db2.gz BVJAFBXDFQHLAV-ZDUSSCGKSA-N 1 0 312.373 3.230 20 5 DGBDRO Cc1c(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc2c[nH+]cn21 ZINC001584212956 1192184083 /nfs/dbraw/zinc/18/40/83/1192184083.db2.gz LCNPGYINWJNTQK-LLVKDONJSA-N 1 0 324.340 3.042 20 5 DGBDRO CC(C)c1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001620850906 1192455292 /nfs/dbraw/zinc/45/52/92/1192455292.db2.gz ROMKXBFTTMWCIE-GUYCJALGSA-N 1 0 317.433 3.291 20 5 DGBDRO Cc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001620920166 1192607575 /nfs/dbraw/zinc/60/75/75/1192607575.db2.gz CNOUVZKABMHEFL-UHFFFAOYSA-N 1 0 315.329 3.144 20 5 DGBDRO CCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001331526657 1178234043 /nfs/dbraw/zinc/23/40/43/1178234043.db2.gz VSBYLCGBMVSDAG-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC001333347625 1178592744 /nfs/dbraw/zinc/59/27/44/1178592744.db2.gz ZQSNOTOLTWUPLM-LSDHHAIUSA-N 1 0 312.373 3.182 20 5 DGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@@H]3CC[C@@H]4C[C@@H]43)nc2c1 ZINC001333810676 1178678791 /nfs/dbraw/zinc/67/87/91/1178678791.db2.gz XPRTYOJVAJMZRA-DMDPSCGWSA-N 1 0 301.346 3.262 20 5 DGBDRO C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001342519918 1179149475 /nfs/dbraw/zinc/14/94/75/1179149475.db2.gz WJXAAQTWKYNGGR-CYBMUJFWSA-N 1 0 319.405 3.071 20 5 DGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)nc2c1 ZINC001343794344 1179332621 /nfs/dbraw/zinc/33/26/21/1179332621.db2.gz FXRVJKVPDLIGGZ-STQMWFEESA-N 1 0 314.389 3.483 20 5 DGBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC001345811045 1179609007 /nfs/dbraw/zinc/60/90/07/1179609007.db2.gz WOVHVBBVPOAQCT-ZDUSSCGKSA-N 1 0 307.397 3.116 20 5 DGBDRO CCC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC001346224616 1179673058 /nfs/dbraw/zinc/67/30/58/1179673058.db2.gz HXKPWOOPHDHSRT-UHFFFAOYSA-N 1 0 305.378 3.093 20 5 DGBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001349838794 1179961026 /nfs/dbraw/zinc/96/10/26/1179961026.db2.gz JNMGEMISQSAKAS-FZMZJTMJSA-N 1 0 320.389 3.292 20 5 DGBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C[N@@H+]1C1CC1 ZINC001349995497 1179994306 /nfs/dbraw/zinc/99/43/06/1179994306.db2.gz QIVRIUXQNOYGCT-NEPJUHHUSA-N 1 0 312.373 3.180 20 5 DGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC(CC2CCOCC2)C1 ZINC001350330386 1180055107 /nfs/dbraw/zinc/05/51/07/1180055107.db2.gz VEJVCHYOHGSYAK-HYXAFXHYSA-N 1 0 316.401 3.357 20 5 DGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3CCC4(CC4)CC3)CC2)n1 ZINC001351414037 1180210472 /nfs/dbraw/zinc/21/04/72/1180210472.db2.gz MKDQMJODIIUMMW-UHFFFAOYSA-N 1 0 318.421 3.399 20 5 DGBDRO Cc1cc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001355361896 1181042968 /nfs/dbraw/zinc/04/29/68/1181042968.db2.gz HNQPIIYEZZLOJC-ZNMIVQPWSA-N 1 0 303.406 3.070 20 5 DGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCOC12CCCC2 ZINC001356045774 1181132127 /nfs/dbraw/zinc/13/21/27/1181132127.db2.gz KEHFZKDRWKTWHQ-ZBFHGGJFSA-N 1 0 302.374 3.273 20 5 DGBDRO Cc1nc(N(CC[NH+](C)C)CC2CCCCC2)ccc1[N+](=O)[O-] ZINC001458277259 1182510777 /nfs/dbraw/zinc/51/07/77/1182510777.db2.gz MUSZNMQYZPJWGS-UHFFFAOYSA-N 1 0 320.437 3.247 20 5 DGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001458402837 1182521080 /nfs/dbraw/zinc/52/10/80/1182521080.db2.gz BSUKYLWIPCIOGC-SNVBAGLBSA-N 1 0 301.337 3.405 20 5 DGBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CCCN(CCF)C1 ZINC001458463375 1182527111 /nfs/dbraw/zinc/52/71/11/1182527111.db2.gz ZYIKGAOKWAZKTJ-LLVKDONJSA-N 1 0 301.749 3.094 20 5 DGBDRO CN(CC(C)(C)C[NH+](C)C)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001458679190 1182549442 /nfs/dbraw/zinc/54/94/42/1182549442.db2.gz MNUVPCBXOHOXJK-UHFFFAOYSA-N 1 0 316.405 3.167 20 5 DGBDRO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001459702353 1182606771 /nfs/dbraw/zinc/60/67/71/1182606771.db2.gz VUSCIECIHIHNAP-KFWWJZLASA-N 1 0 318.421 3.302 20 5 DGBDRO C[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC12CCCCC2 ZINC001460128377 1182653883 /nfs/dbraw/zinc/65/38/83/1182653883.db2.gz JLOLSQCOUXNNCY-UHFFFAOYSA-N 1 0 321.396 3.184 20 5 DGBDRO CCOc1cc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC001460123227 1182654265 /nfs/dbraw/zinc/65/42/65/1182654265.db2.gz OSXCLKJVIVKZEJ-DOTOQJQBSA-N 1 0 322.405 3.287 20 5 DGBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460139249 1182655745 /nfs/dbraw/zinc/65/57/45/1182655745.db2.gz FEFCDQKOXCLRSC-CQSZACIVSA-N 1 0 311.813 3.164 20 5 DGBDRO Cc1c(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC001460309084 1182676378 /nfs/dbraw/zinc/67/63/78/1182676378.db2.gz AWAHDFRXJPMLIZ-HNNXBMFYSA-N 1 0 322.405 3.359 20 5 DGBDRO CC(C)[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001460661010 1182705174 /nfs/dbraw/zinc/70/51/74/1182705174.db2.gz YWSGIWJZMJDMQC-OAHLLOKOSA-N 1 0 311.813 3.020 20 5 DGBDRO Cc1cc(F)ccc1[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001460770109 1182719659 /nfs/dbraw/zinc/71/96/59/1182719659.db2.gz WBCLCHPYGARQCT-SJKOYZFVSA-N 1 0 318.348 3.427 20 5 DGBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001461249281 1182785904 /nfs/dbraw/zinc/78/59/04/1182785904.db2.gz QRGPVUGGVKBRKB-MRXNPFEDSA-N 1 0 318.373 3.351 20 5 DGBDRO Cc1c(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC001461257776 1182787047 /nfs/dbraw/zinc/78/70/47/1182787047.db2.gz QRHCDZBVJATTJK-DOTOQJQBSA-N 1 0 306.406 3.444 20 5 DGBDRO CCOc1cc(F)cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC001461413901 1182809532 /nfs/dbraw/zinc/80/95/32/1182809532.db2.gz UVKSZPRCEMSLHI-UHFFFAOYSA-N 1 0 318.348 3.465 20 5 DGBDRO COc1c(O)ccc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC001462181263 1182919508 /nfs/dbraw/zinc/91/95/08/1182919508.db2.gz UHSPGXDMPSDWRT-GFCCVEGCSA-N 1 0 308.378 3.320 20 5 DGBDRO CC(C)[N@H+](C)CCCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001472654198 1183661857 /nfs/dbraw/zinc/66/18/57/1183661857.db2.gz OUWYZXITKQDINO-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DGBDRO CC(C)(C)CC[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001472665797 1183663701 /nfs/dbraw/zinc/66/37/01/1183663701.db2.gz WNHNKFMUFDHZMP-UHFFFAOYSA-N 1 0 309.385 3.292 20 5 DGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001472711087 1183669885 /nfs/dbraw/zinc/66/98/85/1183669885.db2.gz UALWEFZIQBPJCJ-OLZOCXBDSA-N 1 0 314.389 3.428 20 5 DGBDRO CCC(=O)c1ccc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC001472813349 1183684973 /nfs/dbraw/zinc/68/49/73/1183684973.db2.gz RZVCRGBZFUBGOD-JKSUJKDBSA-N 1 0 319.405 3.328 20 5 DGBDRO Cc1ccc(CNc2cc[nH+]cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001472857449 1183691465 /nfs/dbraw/zinc/69/14/65/1183691465.db2.gz JDAIGIYAMXLYTF-UHFFFAOYSA-N 1 0 311.263 3.351 20 5 DGBDRO CCOc1cc(NCC2([NH2+]C)CCCCC2)ccc1[N+](=O)[O-] ZINC001472862508 1183691943 /nfs/dbraw/zinc/69/19/43/1183691943.db2.gz PHRBVRHAZKZLLP-UHFFFAOYSA-N 1 0 307.394 3.328 20 5 DGBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CC)C(=O)OCC ZINC001473382096 1183749897 /nfs/dbraw/zinc/74/98/97/1183749897.db2.gz SXJNAZXQMIIRIV-MRXNPFEDSA-N 1 0 322.405 3.191 20 5 DGBDRO CCC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCC1 ZINC001473540641 1183772335 /nfs/dbraw/zinc/77/23/35/1183772335.db2.gz SUTRSQQNWCUODM-HNNXBMFYSA-N 1 0 320.389 3.440 20 5 DGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001474188866 1183878955 /nfs/dbraw/zinc/87/89/55/1183878955.db2.gz FLDZAACFSBXBRF-UHFFFAOYSA-N 1 0 322.267 3.206 20 5 DGBDRO CCC[C@@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001474285341 1183895003 /nfs/dbraw/zinc/89/50/03/1183895003.db2.gz YQPQXZLKTVWTID-OAHLLOKOSA-N 1 0 318.373 3.496 20 5 DGBDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001474646725 1183954424 /nfs/dbraw/zinc/95/44/24/1183954424.db2.gz HIIHKZXZHPXRCS-NVXWUHKLSA-N 1 0 320.389 3.115 20 5 DGBDRO CCCN(CC[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001612233987 1193449125 /nfs/dbraw/zinc/44/91/25/1193449125.db2.gz DHBFZQFQZCXJKR-UHFFFAOYSA-N 1 0 324.381 3.061 20 5 DGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001612445822 1193452087 /nfs/dbraw/zinc/45/20/87/1193452087.db2.gz GRDWYEUEFHVDBU-ZDUSSCGKSA-N 1 0 324.425 3.309 20 5 DGBDRO C[C@@H](Cc1ccsc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001615783032 1193528016 /nfs/dbraw/zinc/52/80/16/1193528016.db2.gz QHRKBAINDWQMGL-LRDDRELGSA-N 1 0 320.414 3.253 20 5 DGBDRO Cc1ccc(N2CC([N@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001559188358 1189179234 /nfs/dbraw/zinc/17/92/34/1189179234.db2.gz YNAXZBMNLMNAQO-UHFFFAOYSA-N 1 0 311.385 3.224 20 5 DGBDRO CN(C)c1cc[nH+]c(CNc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC001559280620 1189191041 /nfs/dbraw/zinc/19/10/41/1189191041.db2.gz NELRTJYNACNBDW-UHFFFAOYSA-N 1 0 323.356 3.216 20 5 DGBDRO CC1(C)CC[N@H+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001559300112 1189194753 /nfs/dbraw/zinc/19/47/53/1189194753.db2.gz BVTUUEOFLTZDJO-UHFFFAOYSA-N 1 0 320.418 3.348 20 5 DGBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC001559673440 1189229655 /nfs/dbraw/zinc/22/96/55/1189229655.db2.gz KCUFRZSSUMESNA-COXVUDFISA-N 1 0 304.390 3.484 20 5 DGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001559847722 1189250125 /nfs/dbraw/zinc/25/01/25/1189250125.db2.gz ZPUAVWGCPKUKSI-OWYVNGRQSA-N 1 0 312.797 3.397 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001560223503 1189293555 /nfs/dbraw/zinc/29/35/55/1189293555.db2.gz ANMFXVKVXBIIRC-CVEARBPZSA-N 1 0 308.353 3.267 20 5 DGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@H]1[C@@H]1CCCO1 ZINC001560223504 1189293800 /nfs/dbraw/zinc/29/38/00/1189293800.db2.gz ANMFXVKVXBIIRC-HOTGVXAUSA-N 1 0 308.353 3.267 20 5 DGBDRO C[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001560609642 1189347239 /nfs/dbraw/zinc/34/72/39/1189347239.db2.gz SWVNQIWBPXVZOZ-GFCCVEGCSA-N 1 0 318.373 3.351 20 5 DGBDRO CC(C)[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001575511399 1191487045 /nfs/dbraw/zinc/48/70/45/1191487045.db2.gz SMLBAZDADMVCLD-ZDUSSCGKSA-N 1 0 317.311 3.048 20 5 DGBDRO C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001576164453 1191534199 /nfs/dbraw/zinc/53/41/99/1191534199.db2.gz KHWRTDKCBUIPON-VXGBXAGGSA-N 1 0 313.357 3.106 20 5 DGBDRO CC1(C)[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1[NH3+] ZINC001576380731 1191576932 /nfs/dbraw/zinc/57/69/32/1191576932.db2.gz XPNMAWPCGKBOHG-JKSUJKDBSA-N 1 0 315.373 3.070 20 5 DGBDRO CC(C)(C)[C@H]1CSCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001620533992 1193777193 /nfs/dbraw/zinc/77/71/93/1193777193.db2.gz DUJZSEJMTNFSAV-OAHLLOKOSA-N 1 0 324.446 3.437 20 5 DGBDRO CCC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001620643983 1193786148 /nfs/dbraw/zinc/78/61/48/1193786148.db2.gz VFGCUCKFELAGGY-AWEZNQCLSA-N 1 0 319.405 3.496 20 5 DGBDRO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)cc1 ZINC001621381704 1193835947 /nfs/dbraw/zinc/83/59/47/1193835947.db2.gz PQGNWXOYPQMPSC-HZSPNIEDSA-N 1 0 302.374 3.094 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001640149718 1194798892 /nfs/dbraw/zinc/79/88/92/1194798892.db2.gz OZGQBLBUHQERQZ-NSHDSACASA-N 1 0 320.418 3.489 20 5 DGBDRO CC[N@H+]1[C@H](C)CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1C ZINC001640329604 1194806746 /nfs/dbraw/zinc/80/67/46/1194806746.db2.gz HOTJGUCQBQNVKP-BETUJISGSA-N 1 0 314.389 3.062 20 5 DGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC34CCC(CC3)C4)CC2)c1 ZINC001641505749 1194857778 /nfs/dbraw/zinc/85/77/78/1194857778.db2.gz LFXTZPXIGDCRBA-UHFFFAOYSA-N 1 0 315.417 3.297 20 5 DGBDRO CC[N@@H+]1CCC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001642154350 1194890800 /nfs/dbraw/zinc/89/08/00/1194890800.db2.gz WPEIGNSPKSYCMS-ZDUSSCGKSA-N 1 0 318.421 3.012 20 5 DGBDRO C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001642792852 1194940137 /nfs/dbraw/zinc/94/01/37/1194940137.db2.gz BAHCQHOKNRRVMV-HNNXBMFYSA-N 1 0 311.385 3.306 20 5 DGBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C)C1 ZINC001642938076 1194955385 /nfs/dbraw/zinc/95/53/85/1194955385.db2.gz JQMXIGPSKMEOAF-CABCVRRESA-N 1 0 322.405 3.111 20 5 DGBDRO CCC[N@H+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001642974153 1194958165 /nfs/dbraw/zinc/95/81/65/1194958165.db2.gz MVVKBLYHCUOCPV-UHFFFAOYSA-N 1 0 310.354 3.035 20 5 DGBDRO CN(CCCC[NH+](C)C)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001643129539 1194997632 /nfs/dbraw/zinc/99/76/32/1194997632.db2.gz BIYNNLPRNBFNTD-UHFFFAOYSA-N 1 0 319.327 3.392 20 5 DGBDRO CC[N@H+]1[C@H](C)CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC001643636944 1195041805 /nfs/dbraw/zinc/04/18/05/1195041805.db2.gz FAELTTOWLRBITQ-ZNMIVQPWSA-N 1 0 305.422 3.379 20 5 DGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](C3CCC3)C2)cc1 ZINC001643881969 1195059985 /nfs/dbraw/zinc/05/99/85/1195059985.db2.gz AWZZWDRFYGVKPI-HNNXBMFYSA-N 1 0 304.390 3.486 20 5 DGBDRO CC1CC(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001644701663 1195128385 /nfs/dbraw/zinc/12/83/85/1195128385.db2.gz OLLAQPGFWUCFFY-UHFFFAOYSA-N 1 0 304.390 3.484 20 5 DGBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H](C)C1 ZINC001645913458 1195207003 /nfs/dbraw/zinc/20/70/03/1195207003.db2.gz WNHJJWOENIYKJD-GJZGRUSLSA-N 1 0 308.426 3.472 20 5 DGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)C2(C)CC2)cccc1[N+](=O)[O-] ZINC001648526394 1195306461 /nfs/dbraw/zinc/30/64/61/1195306461.db2.gz VENBBANLGNQWCK-RYUDHWBXSA-N 1 0 305.378 3.008 20 5 DGBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cccc([N+](=O)[O-])c1 ZINC001648591966 1195310928 /nfs/dbraw/zinc/31/09/28/1195310928.db2.gz SZOIVJKDTHMNBK-QZTJIDSGSA-N 1 0 317.433 3.290 20 5 DGBDRO COCc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC001651022286 1195405699 /nfs/dbraw/zinc/40/56/99/1195405699.db2.gz ULOHETVKRPLBPU-UHFFFAOYSA-N 1 0 300.358 3.074 20 5 DGBDRO Cc1c(C[NH2+]C[C@H]2CCN2C2CCCCC2)cccc1[N+](=O)[O-] ZINC001651335989 1195445356 /nfs/dbraw/zinc/44/53/56/1195445356.db2.gz WRVSLELJMPXVFO-QGZVFWFLSA-N 1 0 317.433 3.400 20 5 DGBDRO CC(C)[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC001651344378 1195446831 /nfs/dbraw/zinc/44/68/31/1195446831.db2.gz AORBKAWPKWDAOX-AWEZNQCLSA-N 1 0 313.348 3.405 20 5 DGBDRO C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC001651373619 1195450967 /nfs/dbraw/zinc/45/09/67/1195450967.db2.gz JKUVEPBRVJNWCX-GHMZBOCLSA-N 1 0 313.348 3.405 20 5 DGBDRO C[C@H]1[C@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001651434767 1195460563 /nfs/dbraw/zinc/46/05/63/1195460563.db2.gz CPXDTYPHQIGOHH-WCBMZHEXSA-N 1 0 303.284 3.118 20 5 DGBDRO Cc1cccn2c(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cnc12 ZINC001651552158 1195479074 /nfs/dbraw/zinc/47/90/74/1195479074.db2.gz SYCTZOFASOYRGF-CYBMUJFWSA-N 1 0 310.357 3.402 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1(C)C ZINC001651973432 1195530380 /nfs/dbraw/zinc/53/03/80/1195530380.db2.gz XNYZERCCTDZYOU-LSDHHAIUSA-N 1 0 314.389 3.284 20 5 DGBDRO C[NH+](C)[C@H]1C[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1(C)C ZINC001651972765 1195530446 /nfs/dbraw/zinc/53/04/46/1195530446.db2.gz MDBJFSWHMUQPJD-CABCVRRESA-N 1 0 318.421 3.009 20 5 DGBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1(C)C ZINC001651973429 1195530502 /nfs/dbraw/zinc/53/05/02/1195530502.db2.gz XNYZERCCTDZYOU-HUUCEWRRSA-N 1 0 314.389 3.284 20 5 DGBDRO Cc1c(CN(CCC[NH3+])c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC001652000996 1195534312 /nfs/dbraw/zinc/53/43/12/1195534312.db2.gz FADJIWZGTGHUQW-UHFFFAOYSA-N 1 0 317.364 3.398 20 5 DGBDRO CC1(C)CC[N@H+](CCNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001652315684 1195580720 /nfs/dbraw/zinc/58/07/20/1195580720.db2.gz OVEGVUKZSKRPED-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DGBDRO C[C@H]1CCC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001652364616 1195588058 /nfs/dbraw/zinc/58/80/58/1195588058.db2.gz SKHQVWVQGPNAHW-XJKSGUPXSA-N 1 0 319.405 3.434 20 5 DGBDRO CCC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001652963048 1195675842 /nfs/dbraw/zinc/67/58/42/1195675842.db2.gz FPMIEUWKULOKPP-USXIJHARSA-N 1 0 320.433 3.447 20 5 DGBDRO CC(C)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001653381278 1195716138 /nfs/dbraw/zinc/71/61/38/1195716138.db2.gz DNXWMFGKZRVVQK-MRXNPFEDSA-N 1 0 319.405 3.434 20 5 DGBDRO CC(C)C[C@]1(C)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001653672936 1195742552 /nfs/dbraw/zinc/74/25/52/1195742552.db2.gz PWWQNTWQIWAEGI-KRWDZBQOSA-N 1 0 319.405 3.434 20 5 DGBDRO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@H](C)C1 ZINC001653736472 1195747358 /nfs/dbraw/zinc/74/73/58/1195747358.db2.gz ULQUCCNXZLYFBB-LSDHHAIUSA-N 1 0 308.426 3.472 20 5 DGBDRO CC(C)[C@@H](O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001654498744 1195809995 /nfs/dbraw/zinc/80/99/95/1195809995.db2.gz HXFVNCFJSQZICD-WBVHZDCISA-N 1 0 306.406 3.181 20 5 DGBDRO C[C@@H]1CCC[C@@H](C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC001654504338 1195811345 /nfs/dbraw/zinc/81/13/45/1195811345.db2.gz XLFCGLBXVQPCBY-CKEIUWERSA-N 1 0 306.406 3.218 20 5 DGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC001654541784 1195815565 /nfs/dbraw/zinc/81/55/65/1195815565.db2.gz YAYXHOALESPSDE-ZIAGYGMSSA-N 1 0 322.430 3.049 20 5 DGBDRO CCC(CC)[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001654608534 1195823103 /nfs/dbraw/zinc/82/31/03/1195823103.db2.gz KJBHNHHEMWOSOK-UHFFFAOYSA-N 1 0 307.394 3.434 20 5 DGBDRO CN(CCCC[NH+]1CCCCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC001654626598 1195824130 /nfs/dbraw/zinc/82/41/30/1195824130.db2.gz RLBSVFDBSOGUKZ-UHFFFAOYSA-N 1 0 323.412 3.432 20 5 DGBDRO Cc1cc(N2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001655303404 1195902182 /nfs/dbraw/zinc/90/21/82/1195902182.db2.gz KGDIFCAOUSUNHW-UHFFFAOYSA-N 1 0 303.406 3.358 20 5 DGBDRO Cc1c(CN[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001655404295 1195912756 /nfs/dbraw/zinc/91/27/56/1195912756.db2.gz UXNYBEAGGWBIPM-SOUVJXGZSA-N 1 0 319.449 3.359 20 5 DGBDRO Cc1cc(NCCCCc2cc[nH+]c(N)c2)ccc1[N+](=O)[O-] ZINC001655895089 1195975182 /nfs/dbraw/zinc/97/51/82/1195975182.db2.gz TYQLXUYKFXTTJD-UHFFFAOYSA-N 1 0 300.362 3.315 20 5 DGBDRO Cc1c(C[NH2+][C@H](C)COc2ccccc2)cccc1[N+](=O)[O-] ZINC001656226556 1196020681 /nfs/dbraw/zinc/02/06/81/1196020681.db2.gz PLKSPDCQNVKYHV-CYBMUJFWSA-N 1 0 300.358 3.460 20 5 DGBDRO COC[C@@H](C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001656236754 1196021761 /nfs/dbraw/zinc/02/17/61/1196021761.db2.gz WFQKEKYOVBSKPQ-LBPRGKRZSA-N 1 0 304.346 3.227 20 5 DGBDRO CCC[C@](C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC001656483834 1196043893 /nfs/dbraw/zinc/04/38/93/1196043893.db2.gz UDIIDFVMANGDEU-INIZCTEOSA-N 1 0 302.378 3.096 20 5 DGBDRO COc1ccc(CNc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC001656868805 1196077357 /nfs/dbraw/zinc/07/73/57/1196077357.db2.gz WYPIGUKCVWXVNC-UHFFFAOYSA-N 1 0 315.373 3.277 20 5 DGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1(O)CCCCCC1)CC2 ZINC001657539398 1196152888 /nfs/dbraw/zinc/15/28/88/1196152888.db2.gz MMDUZIUZXDOIAC-UHFFFAOYSA-N 1 0 304.390 3.038 20 5 DGBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC001658341373 1196243893 /nfs/dbraw/zinc/24/38/93/1196243893.db2.gz RLBBGMYMJXPVQY-ZIAGYGMSSA-N 1 0 319.405 3.352 20 5 DGBDRO CCO[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001658506607 1196267525 /nfs/dbraw/zinc/26/75/25/1196267525.db2.gz MTHYAGMSDQHWMA-QSPRXWTASA-N 1 0 318.417 3.463 20 5 DGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001658584853 1196276770 /nfs/dbraw/zinc/27/67/70/1196276770.db2.gz LHBJUMYSKUOZNE-HUUCEWRRSA-N 1 0 310.419 3.237 20 5 DGBDRO C[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001658707526 1196290190 /nfs/dbraw/zinc/29/01/90/1196290190.db2.gz NOXGXGCYDPTTJF-GFCCVEGCSA-N 1 0 318.373 3.351 20 5 DGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC=CCC1 ZINC001658926147 1196319948 /nfs/dbraw/zinc/31/99/48/1196319948.db2.gz CHHLOLZDXBHYTL-ZDUSSCGKSA-N 1 0 317.389 3.400 20 5 DGBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001658997404 1196329739 /nfs/dbraw/zinc/32/97/39/1196329739.db2.gz FLZUGUIRZGRBTB-AWEZNQCLSA-N 1 0 320.389 3.104 20 5 DGBDRO O=c1[nH]cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001660033155 1196439377 /nfs/dbraw/zinc/43/93/77/1196439377.db2.gz AUSKNBLKBAQQAO-UHFFFAOYSA-N 1 0 323.352 3.181 20 5 DGBDRO CC(C)(C)[N@@H+]1CC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001660263774 1196463381 /nfs/dbraw/zinc/46/33/81/1196463381.db2.gz WSNVPHUYKFDVDA-ZDUSSCGKSA-N 1 0 311.813 3.211 20 5 DGBDRO CCCCC1([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC001660557428 1196497550 /nfs/dbraw/zinc/49/75/50/1196497550.db2.gz PYRZQMBBJVACOL-HNNXBMFYSA-N 1 0 317.389 3.013 20 5 DGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC001660695336 1196512986 /nfs/dbraw/zinc/51/29/86/1196512986.db2.gz IXGITRAZEGIUNT-NVXWUHKLSA-N 1 0 316.332 3.199 20 5 DGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001661054997 1196559676 /nfs/dbraw/zinc/55/96/76/1196559676.db2.gz YKPZGBLQZCQTFY-UHFFFAOYSA-N 1 0 322.267 3.206 20 5 DGBDRO CC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)OC(C)(C)C ZINC001663317025 1196832817 /nfs/dbraw/zinc/83/28/17/1196832817.db2.gz XYYWALGRQLWONH-CYBMUJFWSA-N 1 0 322.405 3.361 20 5 DGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](CCO)C1CCCC1 ZINC001663353554 1196843600 /nfs/dbraw/zinc/84/36/00/1196843600.db2.gz LKIMPGGNBCGPMP-INIZCTEOSA-N 1 0 306.406 3.242 20 5 DGBDRO CO[C@](C)(C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC001663641160 1196920002 /nfs/dbraw/zinc/92/00/02/1196920002.db2.gz JBPMAINJJGKXQJ-OAHLLOKOSA-N 1 0 312.797 3.495 20 5 DGBDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001665217818 1197110737 /nfs/dbraw/zinc/11/07/37/1197110737.db2.gz LTHXKLCXHADLMP-CYBMUJFWSA-N 1 0 311.813 3.211 20 5 DGBDRO Cc1c([C@@H](C)[NH2+]CCc2nc(C(C)C)no2)cccc1[N+](=O)[O-] ZINC000089577260 1197994178 /nfs/dbraw/zinc/99/41/78/1197994178.db2.gz MKYQWEZXECUMHC-GFCCVEGCSA-N 1 0 318.377 3.303 20 5 DGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000235304512 1202604459 /nfs/dbraw/zinc/60/44/59/1202604459.db2.gz JCIFVHVJOWMNAV-HQJQHLMTSA-N 1 0 305.161 3.278 20 5 DGBDRO